data_r4qbbsf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-11-05
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4qbb 
_cell.length_a      45.8078 
_cell.length_b      110.6817 
_cell.length_c      56.7742 
_cell.angle_alpha   90.0000 
_cell.angle_beta    98.1198 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.93340 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.600 
_diffrn_reflns.pdbx_d_res_low    56.205 
_diffrn_reflns.limit_h_max       28 
_diffrn_reflns.limit_h_min       -28 
_diffrn_reflns.limit_k_max       69 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       35 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            73670 
_diffrn_reflns.pdbx_number_obs   72872 
# 
_entry.id   4qbb 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4qbb 
_symmetry.space_group_name_H-M   'P 1 21 1' 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'       
2 '-X,  Y+1/2,  -Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -28    0    1 o   6.5176   2.8533   26.272   75.439 -35.4619  105.814   90.085  107.581   5.2543   3.5495   7.7810   4.4684 -0.000000 0.000000 
1 1 1  -28    0    2 o   23.498   1.7715  569.177   77.689  662.032  113.189  486.472  106.825   25.451   2.3363   21.545   2.6636 -0.000000 0.000000 
1 1 1  -28    0    3 o   17.612   2.4029  347.247   72.509  401.516  104.587  297.021  100.615   19.297   3.0105   15.927   3.7460 -0.000000 0.000000 
1 1 1  -28    0    4 o   7.7375   2.8153   25.091   69.339 -92.4375   90.397  193.083  108.075   4.1201   2.8986   11.355   4.8272 -0.000000 0.000000 
1 1 1  -28    0    5 o   7.5218   3.0948   76.393   76.402  109.933  106.764   41.189  109.380   8.3795   4.5871   6.6641   4.1555 -0.000000 0.000000 
1 1 1  -28    0    6 o   6.6659   2.8820   41.116   73.847  -6.8963  106.956   84.854  102.085   5.7236   3.7700   7.6081   4.3600 -0.000000 0.000000 
1 1 1  -28    0    7 o   9.2234   3.3474  135.872   76.388  123.265  106.441  149.259  109.689   8.7916   4.6527   9.6553   4.8138 -0.000000 0.000000 
1 1 1  -28    0    8 o   9.9913   3.3540  157.137   74.241  167.241  104.915  147.005  105.068   10.374   4.7618   9.6083   4.7246 -0.000000 0.000000 
1 1 1  -28    0    9 o   8.0147   3.1396   96.148   74.732  132.940  102.702   54.744  108.949   9.1067   4.6325   6.9228   4.2390 -0.000000 0.000000 
1 1 1  -28    0   10 o   38.601   1.1670  1476.68   87.079  1472.16  122.897  1481.24  123.402   38.542   1.6495   38.661   1.6512 -0.000000 0.000000 
1 1 1  -28    0   11 o   24.026   1.8303  612.711   79.690  667.992  104.613  536.285  123.005   25.636   2.1363   22.417   2.9726 -0.000000 0.000000 
1 1 1  -28    0   12 o   5.1914   2.5055 -48.5841   78.097 -46.9261  104.960 -50.6404  116.892   5.0550   3.4484   5.3278   3.6357 -0.000000 0.000000 
1 1 1  -28    1    1 o   11.036   2.3312  134.992   53.787  121.856   73.755  149.914   78.610   10.514   3.2681   11.557   3.3252 -1.042371 4.662394 
1 1 1  -28    1    2 o   22.146   1.2868  496.370   54.548  402.819   76.875  591.233   77.412   19.957   1.9844   24.335   1.6388 -4.377537 2.573564 
1 1 1  -28    1    3 o   11.947   2.2360  158.818   53.169  132.282   75.762  184.572   74.636   10.937   3.2960   12.958   3.0226 -2.021536 4.472094 
1 1 1  -28    1    4 o   26.163   1.1352  681.522   57.632  706.898   82.827  657.706   80.242   26.637   1.6019   25.690   1.6091 0.9464931 2.270477 
1 1 1  -28    1    5 o   8.5252   2.1958   47.289   53.090 -23.3139   72.981  126.643   77.372   6.3146   2.8407   10.736   3.3490 -4.421202 4.391524 
1 1 1  -28    1    6 o   15.679   1.8142  258.643   53.433  218.428   74.948  300.215   76.201   14.229   2.8130   17.128   2.2919 -2.898469 3.628483 
1 1 1  -28    1    7 o   11.890   2.1703  155.876   53.089   91.608   74.659  221.613   75.506   9.4533   3.3036   14.327   2.8154 -4.873549 4.340544 
1 1 1  -28    1    8 o   7.7168   2.1462   25.652   51.809   90.829   73.955 -37.1607   72.602   9.4052   3.2880   6.0283   2.7592 3.376925 4.292314 
1 1 1  -28    1    9 o   12.140   2.1360  167.552   51.943  218.000   70.608  108.046   76.686   14.261   2.6480   10.019   3.3524 4.242269 4.272100 
1 1 1  -28    1   10 o   17.016   1.6930  298.836   55.839  321.220   81.205  278.758   76.908   17.628   2.3731   16.404   2.4153 1.224354 3.385998 
1 1 1  -28    1   11 o   42.550   0.8071  1784.78   66.663  1780.33   94.448  1789.21   94.106   42.495   1.1450   42.605   1.1379 -0.1098938 1.614207 
1 1 1  -28    1   12 o   36.793   0.8904  1339.85   63.542  1402.34   90.027  1277.82   89.697   37.663   1.2314   35.922   1.2863 1.740898 1.780708 
1 1 1  -28    2    1 o   14.618   1.9501  228.613   54.051  204.177   76.625  252.816   76.257   13.633   2.9786   15.603   2.5178 -1.969191 3.900184 
1 1 1  -28    2    2 o   22.119   1.2872  493.047   55.090  516.184   76.213  467.730   79.724   22.701   1.7295   21.537   1.9069 1.163637 2.574421 
1 1 1  -28    2    3 o   16.554   1.6796  281.981   53.771  253.634   75.548  311.086   76.551   15.666   2.4843   17.441   2.2611 -1.775078 3.359159 
1 1 1  -28    2    4 o   8.4436   2.3012   58.349   53.736   41.015   75.715   75.941   76.277   7.9192   3.1947   8.9680   3.3131 -1.048772 4.602489 
1 1 1  -28    2    5 o   11.265   2.2137  140.473   52.990   82.526   76.491  193.945   73.479   9.1865   3.3295   13.343   2.9182 -4.156093 4.427402 
1 1 1  -28    2    6 o   13.154   2.1298  190.033   53.516  155.632   74.937  225.839   76.452   11.839   3.1892   14.468   2.8236 -2.628428 4.259511 
1 1 1  -28    2    7 o   10.077   2.3297  108.830   52.532   97.688   72.667  121.028   76.031   9.6406   3.2632   10.513   3.3258 -0.8727169 4.659323 
1 1 1  -28    2    8 o   16.213   1.7026  271.681   53.433  284.225   74.148  258.128   77.069   16.647   2.2945   15.779   2.5161 0.8681211 3.405228 
1 1 1  -28    2    9 o   14.490   1.9603  227.095   53.560  268.287   74.831  183.826   76.694   16.121   2.3912   12.860   3.1070 3.261514 3.920668 
1 1 1  -28    2   10 o   15.626   1.9054  261.649   55.314  335.361   79.797  193.469   76.744   18.054   2.2769   13.198   3.0558 4.855804 3.810767 
1 1 1  -28    2   11 o   26.026   1.1513  678.696   58.117  685.384   80.787  671.523   83.669   26.178   1.5898   25.875   1.6658 0.3034534 2.302679 
1 1 1  -28    2   12 o   8.0361   2.2185   41.667   53.993 -16.2482   78.480   93.715   74.399   6.6359   2.9684   9.4363   3.2979 -2.800399 4.437054 
1 1 1  -28    3    1 f   12.115   2.1671  163.680   53.279  226.492   75.371  100.944   75.325   14.474   2.7836   9.7555   3.3223 4.718559 4.334295 
1 1 1  -28    3    2 o   23.398   1.2233  548.429   55.534  571.366   79.056  526.083   78.029   23.892   1.7046   22.905   1.7549 0.9871273 2.446517 
1 1 1  -28    3    3 o   19.728   1.4623  394.536   55.977  384.969   77.841  404.781   80.557   19.485   2.0580   19.972   2.0779 -0.4868011 2.924544 
1 1 1  -28    3    4 o   28.130   1.0460  788.594   56.783  882.720   80.158  693.782   80.450   29.861   1.3828   26.399   1.5699 3.462343 2.092078 
1 1 1  -28    3    5 o   29.497   1.0054  861.667   57.552  835.957   80.280  888.850   82.549   29.044   1.4239   29.950   1.4199 -0.9065037 2.010882 
1 1 1  -28    3    6 o   9.5596   2.2303   85.065   51.666   30.007   69.524  152.976   77.213   7.4040   3.0335   11.715   3.2704 -4.311240 4.460656 
1 1 1  -28    3    7 o   13.672   2.0626  203.558   53.014  199.333   72.953  208.287   77.171   13.543   2.8645   13.802   2.9686 -0.2585077 4.125239 
1 1 1  -28    3    8 o   18.169   1.5373  336.357   54.182  324.907   74.956  348.887   78.410   17.850   2.1633   18.488   2.1848 -0.6380463 3.074611 
1 1 1  -28    3    9 o   18.188   1.5909  339.607   56.049  363.528   79.249  315.667   79.280   18.866   2.1640   17.510   2.3325 1.356039 3.181759 
1 1 1  -28    3   10 o   16.251   1.7894  276.711   54.727  327.628   80.380  232.712   74.720   17.821   2.3236   14.682   2.7220 3.138868 3.578893 
1 1 1  -28    3   11 o   14.194   2.0430  221.309   54.373  236.044   76.803  206.504   76.988   14.734   2.7874   13.655   2.9876 1.079177 4.086027 
1 1 1  -28    3   12 o   11.567   2.3551  152.167   55.789  159.796   79.198  144.653   78.601   11.848   3.3139   11.286   3.3472 0.5613737 4.710167 
1 1 1  -28    4    1 o   13.892   2.0123  207.223   53.409  154.729   73.415  266.237   77.841   11.774   3.1503   16.010   2.5047 -4.235250 4.024682 
1 1 1  -28    4    2 o   20.693   1.4103  435.490   56.346  461.753   77.527  406.086   82.034   21.411   1.8653   19.975   2.1156 1.435850 2.820504 
1 1 1  -28    4    3 o   32.089   0.9710  1019.42   60.476  1039.17   85.819  999.940   85.237   32.402   1.3644   31.776   1.3818 0.6254387 1.941942 
1 1 1  -28    4    4 o   20.126   1.4312  409.906   55.688  363.640   77.588  459.064   79.976   18.917   2.1128   21.334   1.9312 -2.416470 2.862441 
1 1 1  -28    4    5 o   9.0221   2.3372   77.441   53.279   69.744   71.616   86.980   79.731   8.6635   3.2084   9.3806   3.3994 -0.7170563 4.674366 
1 1 1  -28    4    6 o   16.971   1.7258  303.076   54.054  378.108   77.020  230.245   75.882   19.313   2.0544   14.629   2.7737 4.684178 3.451648 
1 1 1  -28    4    7 o   23.731   1.2047  563.984   55.441  588.569   78.096  539.007   78.718   24.272   1.6575   23.191   1.7486 1.081690 2.409355 
1 1 1  -28    4    8 o   18.909   1.5208  364.821   55.772  379.631   78.559  349.772   79.191   19.320   2.0947   18.499   2.2053 0.8211117 3.041566 
1 1 1  -28    4    9 o   8.0761   2.2653   46.989   53.512   67.735   75.702   26.268   75.653   8.6565   3.2792   7.4957   3.1263 1.160849 4.530664 
1 1 1  -28    4   10 f   31.455   0.9777  981.986   59.684  975.234   85.113  988.519   83.715   31.340   1.3990   31.569   1.3661 -0.2292805 1.955365 
1 1 1  -28    4   11 o   14.319   1.9921  224.536   53.926  273.253   75.511  173.830   77.036   16.224   2.3977   12.415   3.1819 3.808437 3.984154 
1 1 1  -28    5    1 o   19.242   1.4726  377.109   54.976  364.286   77.832  389.876   77.664   18.898   2.1216   19.585   2.0428 -0.6871357 2.945195 
1 1 1  -28    5    2 o   47.888   0.7887  2257.73   73.264  2324.88  102.836  2188.51  104.404   48.627   1.0894   47.150   1.1407 1.476883 1.577371 
1 1 1  -28    5    3 o   27.308   1.1032  742.968   58.450  733.969   83.728  751.522   81.633   27.134   1.5896   27.483   1.5302 -0.3491898 2.206438 
1 1 1  -28    5    4 o   18.660   1.5254  354.780   54.888  305.117   76.476  407.536   78.823   17.259   2.2826   20.060   2.0243 -2.800087 3.050899 
1 1 1  -28    5    5 o   17.047   1.7439  307.476   54.092  405.658   77.590  214.633   75.450   20.026   1.9959   14.068   2.8603 5.957831 3.487799 
1 1 1  -28    5    6 f   17.108   1.6382  300.559   54.052  259.842   75.519  343.327   77.397   15.863   2.4525   18.353   2.1725 -2.490226 3.276345 
1 1 1  -28    5    7 o   17.461   1.5867  312.868   53.519  345.161   75.485  280.228   75.891   18.421   2.1110   16.500   2.3694 1.920792 3.173374 
1 1 1  -28    5    8 o   6.5807   2.0509 -23.2866   53.430 -75.1130   74.846   30.571   76.298   5.5255   2.6172   7.6359   3.1584 -2.110353 4.101815 
1 1 1  -28    5    9 o   38.477   0.8572  1461.03   64.002  1416.03   90.245  1506.57   90.783   37.872   1.2275   39.081   1.1967 -1.208309 1.714315 
1 1 1  -28    5   10 o   9.4892   2.3425   91.295   55.180  129.007   76.954   51.384   79.167   10.736   3.3385   8.2426   3.2870 2.493190 4.685044 
1 1 1  -28    5   11 f   12.413   2.2254  174.581   55.350  228.620   78.050  119.909   78.506   14.437   2.8859   10.390   3.3884 4.047114 4.450874 
1 1 1  -28    6    1 o   30.259   0.9749  908.250   57.228  900.760   82.227  915.285   79.698   30.125   1.4061   30.393   1.3509 -0.2678623 1.949893 
1 1 1  -28    6    2 o   8.4109   2.2931   57.363   54.196   84.556   75.042   27.717   78.354   9.1900   3.3024   7.6319   3.1823 1.558162 4.586117 
1 1 1  -28    6    3 o   6.7130   2.0363 -33.9452   53.836 -124.5231   75.369   60.411   76.925   4.9427   2.4110   8.4833   3.2823 -3.540575 4.072591 
1 1 1  -28    6    4 o   25.560   1.1612  657.184   57.014  757.382   80.215  554.881   81.053   27.604   1.4970   23.515   1.7756 4.088892 2.322445 
1 1 1  -28    6    5 o   21.205   1.3569  453.685   55.522  392.306   77.296  519.112   79.804   19.678   2.0235   22.732   1.8085 -3.054190 2.713891 
1 1 1  -28    6    6 o   10.337   2.2673  113.049   52.279   69.541   72.208  160.980   75.789   8.6578   3.2186   12.016   3.1943 -3.358254 4.534595 
1 1 1  -28    6    7 o   25.396   1.0964  642.793   54.001  652.979   75.197  631.947   77.599   25.620   1.5120   25.173   1.5880 0.4475517 2.192726 
1 1 1  -28    6    8 o   42.145   0.8181  1749.69   66.916  1793.68   94.958  1706.30   94.313   42.677   1.1462   41.613   1.1676 1.063862 1.636173 
1 1 1  -28    6    9 o   43.133   0.8107  1833.34   67.866  1866.77   95.831  1799.72   96.124   43.534   1.1340   42.731   1.1588 0.8027992 1.621380 
1 1 1  -28    6   10 o   21.394   1.3394  461.745   55.050  555.777   80.399  378.749   75.534   23.497   1.7627   19.291   2.0171 4.206478 2.678766 
1 1 1  -28    6   11 o   8.8759   2.3282   71.118   54.768   37.147   75.328  109.212   79.769   7.7301   3.1612   10.022   3.4188 -2.291626 4.656372 
1 1 1  -28    7    1 o   26.244   1.1426  695.004   57.393  820.977   80.919  567.477   81.416   28.734   1.4507   23.753   1.7657 4.980810 2.285249 
1 1 1  -28    7    2 o   30.052   1.0332  897.812   60.161  900.031   82.706  895.318   87.673   30.114   1.4148   29.991   1.5060 0.1229115 2.066320 
1 1 1  -28    7    3 o   42.772   0.8198  1798.10   67.994  1715.81   93.531  1890.35   99.021   41.739   1.1544   43.805   1.1645 -2.065987 1.639691 
1 1 1  -28    7    4 o   7.0543   2.1358   0.9280   54.156   43.278   76.043 -42.6591   77.146   7.9697   3.2064   6.1390   2.8225 1.830740 4.271676 
1 1 1  -28    7    5 o   13.658   2.0326  201.549   52.205  166.370   71.041  242.850   76.974   12.281   3.0046   15.035   2.7384 -2.753873 4.065279 
1 1 1  -28    7    6 o   25.101   1.1621  629.546   56.621  632.237   80.286  626.883   79.865   25.154   1.6443   25.048   1.6425 0.1059799 2.324120 
1 1 1  -28    7    7 o   36.104   0.8859  1286.51   62.058  1308.31   89.368  1266.21   86.242   36.393   1.2650   35.815   1.2405 0.5784569 1.771731 
1 1 1  -28    7    8 o   30.585   0.9977  928.445   59.195  928.556   82.295  928.326   85.211   30.599   1.3855   30.571   1.4359 0.2790451E-01 1.995307 
1 1 1  -28    7    9 o   19.982   1.4772  411.911   56.489  473.630   78.445  345.435   81.412   21.653   1.8663   18.311   2.2904 3.341883 2.954493 
1 1 1  -28    7   10 o   9.2368   2.3461   85.152   54.385   60.393   76.561  110.371   77.268   8.4211   3.2700   10.053   3.3651 -1.631522 4.692186 
1 1 1  -28    7   11 o   13.017   2.1646  190.130   54.904  249.804   78.532  133.074   76.789   15.169   2.7690   10.864   3.3278 4.304953 4.329121 
1 1 1  -28    8    1 o   7.9810   2.1800   28.692   54.713  107.815   76.893 -52.4478   77.867   9.9735   3.3569   5.9884   2.7822 3.985095 4.359974 
1 1 1  -28    8    2 o   8.2120   2.2969   51.952   54.322   58.367   76.585   45.456   77.063   8.3876   3.2667   8.0363   3.2297 0.3512774 4.593719 
1 1 1  -28    8    3 o   7.4683   2.1923   22.454   53.261  -6.7892   74.110   53.693   76.598   6.6731   2.9402   8.2636   3.2528 -1.590538 4.384648 
1 1 1  -28    8    4 o   10.738   2.2175  127.726   52.000  175.294   71.347   73.829   75.946   12.617   2.9636   8.8603   3.2994 3.756192 4.435019 
1 1 1  -28    8    5 f   10.066   2.1345   87.597   54.051  203.108   80.233  -8.3885   73.138   13.528   3.1191   6.6033   2.9146 6.924583 4.268907 
1 1 1  -28    8    6 o   11.675   2.2097  149.007   55.970  234.092   79.783   66.552   78.540   14.656   2.9069   8.6936   3.3288 5.962749 4.419385 
1 1 1  -28    8    7 o   21.813   1.3195  482.352   55.548  523.480   77.122  438.017   80.073   22.838   1.7397   20.787   1.9844 2.050177 2.638952 
1 1 1  -28    8    8 o   22.409   1.3039  511.950   55.528  631.566   78.859  394.314   78.204   25.133   1.6164   19.686   2.0465 5.446983 2.607830 
1 1 1  -28    8    9 o   23.651   1.1930  561.590   54.544  498.693   76.301  627.325   78.003   22.259   1.7659   25.043   1.6046 -2.784281 2.385997 
1 1 1  -28    8   10 f   9.3207   2.3676   88.817   54.720   98.862   76.835   78.479   77.947   9.6459   3.3525   8.9956   3.3440 0.6502523 4.735198 
1 1 1  -28    8   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -28    9    1 o   10.422   2.3798  120.916   55.359  137.548   75.427  101.496   81.503   11.052   3.2793   9.7927   3.4498 1.258938 4.759698 
1 1 1  -28    9    2 o   31.640   0.9760  991.877   59.884  962.908   82.410  1024.29   87.169   31.161   1.3624   32.120   1.3980 -0.9597149 1.952083 
1 1 1  -28    9    3 o   29.206   1.0227  851.172   57.728  909.103   80.023  788.313   83.359   30.285   1.3612   28.126   1.5268 2.158951 2.045466 
1 1 1  -28    9    4 f   7.8771   2.1766   31.620   53.043   95.297   74.745 -32.9827   75.286   9.5417   3.3072   6.2126   2.8306 3.329056 4.353101 
1 1 1  -28    9    5 o   10.816   2.3487  128.606   56.100  172.074   79.126   84.669   79.552   12.370   3.2521   9.2627   3.3896 3.107561 4.697453 
1 1 1  -28    9    6 o   19.487   1.4622  383.810   55.006  332.308   74.797  444.468   81.174   18.043   2.1355   20.931   1.9978 -2.888235 2.924341 
1 1 1  -28    9    7 o   24.638   1.1702  609.613   55.691  675.247   78.627  543.535   78.892   26.016   1.5569   23.260   1.7473 2.756554 2.340313 
1 1 1  -28    9    8 o   43.741   0.7838  1883.14   66.542  1932.34   95.153  1836.04   93.091   44.302   1.1065   43.181   1.1106 1.120319 1.567684 
1 1 1  -28    9    9 o   12.546   2.1631  176.237   54.281  246.232   77.716  109.567   75.847   15.075   2.7574   10.017   3.3337 5.057974 4.326295 
1 1 1  -28    9   10 o   6.6124   2.0570 -10.5361   52.044 -40.8142   72.900   20.937   74.324   5.9426   2.7365   7.2821   3.0718 -1.339479 4.113904 
1 1 1  -28   10    1 o   15.985   1.7565  264.995   52.682  216.587   70.206  327.381   79.701   14.169   2.6499   17.802   2.3064 -3.632659 3.513088 
1 1 1  -28   10    2 o   14.607   2.0025  238.665   54.556  294.931   73.942  171.435   80.826   16.929   2.2501   12.285   3.3133 4.643492 4.005093 
1 1 1  -28   10    3 o   22.437   1.3127  508.605   56.907  448.475   79.547  571.637   81.445   21.033   1.9483   23.840   1.7599 -2.806681 2.625487 
1 1 1  -28   10    4 o   6.9653   2.1130   3.5060   52.357 -28.6512   73.255   37.088   74.860   6.1926   2.8101   7.7380   3.1564 -1.545455 4.226067 
1 1 1  -28   10    5 o   17.084   1.6318  304.219   53.330  334.434   72.344  268.258   78.924   18.126   2.0560   16.042   2.5345 2.084583 3.263587 
1 1 1  -28   10    6 o   36.950   0.8767  1347.24   62.849  1408.00   90.519  1290.69   87.331   37.756   1.2351   36.144   1.2447 1.611992 1.753500 
1 1 1  -28   10    7 o   35.363   0.8956  1242.72   61.155  1134.29   88.201  1343.10   84.867   33.829   1.3431   36.896   1.1849 -3.067448 1.791104 
1 1 1  -28   10    8 o   10.224   2.3191  114.446   53.489   81.695   76.597  145.617   74.727   9.0822   3.3257   11.366   3.2330 -2.284005 4.638199 
1 1 1  -28   10    9 o   7.6821   2.1943   32.995   53.138   71.541   71.790 -13.7149   79.028   8.6538   3.2108   6.7105   2.9919 1.943293 4.388696 
1 1 1  -28   10   10 o   14.473   2.0549  230.055   55.716  213.103   77.831  247.875   79.796   13.872   2.9792   15.074   2.8310 -1.201775 4.109766 
1 1 1  -28   11    1 o   21.354   1.3790  467.234   56.584  518.093   78.036  410.849   82.167   22.673   1.7730   20.036   2.1126 2.637325 2.758072 
1 1 1  -28   11    2 o   15.254   1.9290  252.428   54.622  177.626   76.263  331.223   78.272   12.575   3.1352   17.934   2.2483 -5.359382 3.858011 
1 1 1  -28   11    3 f   18.354   1.5365  353.938   53.103  423.416   72.637  274.174   77.829   20.483   1.8269   16.226   2.4709 4.256163 3.072910 
1 1 1  -28   11    4 o   15.270   1.9131  249.467   54.889  202.559   76.340  299.672   78.978   13.534   2.9858   17.005   2.3925 -3.471034 3.826121 
1 1 1  -28   11    5 o   15.673   1.9001  264.228   55.749  219.902   79.618  306.864   78.086   14.110   2.9991   17.236   2.3338 -3.125758 3.800209 
1 1 1  -28   11    6 o   21.847   1.3305  483.304   56.313  470.603   81.537  494.886   77.866   21.540   1.9501   22.155   1.8106 -0.6146564 2.661002 
1 1 1  -28   11    7 o   16.160   1.7880  276.481   54.433  310.947   77.094  242.217   76.868   17.364   2.2872   14.956   2.7489 2.407599 3.576054 
1 1 1  -28   11    8 o   15.581   1.8792  259.775   54.867  309.982   78.474  211.757   76.743   17.309   2.3356   13.853   2.9446 3.455872 3.758350 
1 1 1  -28   11    9 o   22.290   1.2967  502.499   56.046  516.398   78.281  487.882   80.279   22.631   1.7819   21.949   1.8842 0.6820812 2.593314 
1 1 1  -28   12    1 o   11.713   2.3245  158.640   57.630  205.922   77.851  101.318   85.719   13.606   3.0258   9.8209   3.5295 3.785028 4.648951 
1 1 1  -28   12    2 o   18.736   1.5217  356.690   54.925  301.256   74.267  423.611   81.601   17.104   2.2369   20.369   2.0637 -3.265400 3.043461 
1 1 1  -28   12    3 o   19.722   1.5453  399.472   56.272  256.370   76.273  570.402   83.360   15.667   2.5080   23.778   1.8060 -8.110480 3.090565 
1 1 1  -28   12    4 o   13.580   2.1000  207.076   55.283  262.093   75.899  144.906   80.683   15.863   2.4648   11.298   3.4006 4.565251 4.199905 
1 1 1  -28   12    5 o   11.600   2.3158  152.411   54.682  168.846   76.855  135.562   77.816   12.233   3.1999   10.966   3.3484 1.266685 4.631506 
1 1 1  -28   12    6 o   26.174   1.1516  686.032   58.387  628.956   81.654  745.750   83.522   25.034   1.6803   27.314   1.5753 -2.279890 2.303209 
1 1 1  -28   12    7 o   20.350   1.4439  422.660   56.701  367.593   79.288  480.300   81.119   18.935   2.1572   21.765   1.9200 -2.829985 2.887888 
1 1 1  -28   12    8 o   11.236   2.2670  140.970   53.924  190.383   76.832   92.999   75.702   13.044   3.0831   9.4293   3.3244 3.614403 4.534034 
1 1 1  -28   13    2 o   11.479   2.2619  145.190   56.923   68.932   79.658  224.764   81.371   8.7351   3.3506   14.222   3.0396 -5.487091 4.523869 
1 1 1  -28   13    3 o   27.260   1.0950  741.848   57.819  734.741   79.069  750.016   84.764   27.143   1.5007   27.376   1.5951 -0.2331924 2.190022 
1 1 1  -28   13    4 o   10.999   2.2689  136.799   52.148  159.391   71.589  111.260   76.116   11.928   3.0729   10.071   3.3390 1.857093 4.537799 
1 1 1  -28   13    5 o   11.545   2.2886  149.971   55.344  199.639   78.489  100.857   78.050   13.364   3.0876   9.7252   3.3790 3.638927 4.577226 
1 1 1  -28   13    6 o   13.670   2.2122  209.478   57.567  185.470   80.882  234.126   81.954   12.791   3.2507   14.548   3.0016 -1.757099 4.424493 
1 1 1  -28   13    7 o   12.809   2.1911  184.278   53.889  191.328   74.463  176.526   78.086   13.123   2.9898   12.496   3.2040 0.6275845 4.382297 
1 1 1  -28   13    8 f   8.4184   2.2908   59.775   53.860   85.450   74.971   32.390   77.429   9.1636   3.3000   7.6731   3.1784 1.490498 4.581691 
1 1 1  -28   14    4 o   8.7650   2.2966   66.986   54.607  113.170   77.501   21.453   76.954   10.142   3.3696   7.3878   3.1215 2.754446 4.593235 
1 1 1  -28   14    5 o   8.0290   2.2600   47.424   53.679   67.988   72.032   21.742   80.499   8.5395   3.2067   7.5185   3.1855 1.020935 4.520030 
1 1 1  -28   14    6 o   17.687   1.5967  326.556   53.999  361.335   73.392  285.507   79.734   18.836   2.0072   16.538   2.4837 2.297836 3.193397 
1 1 1  -27    0    1 o   5.4736   2.5207 -26.4261   69.657 -110.8448  101.418   48.960   95.839   4.3087   3.0392   6.6386   4.0224 -0.000000 0.000000 
1 1 1  -27    0    2 o   23.722   1.7383  583.440   74.537  430.404  104.326  743.014  106.531   20.221   2.8136   27.224   2.0423 -0.000000 0.000000 
1 1 1  -27    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -27    0    4 o   33.717   1.2498  1126.41   80.528  1324.69  116.115  942.676  111.776   36.647   1.6397   30.787   1.8866 -0.000000 0.000000 
1 1 1  -27    0    5 o   6.2710   2.6308   1.3094   69.320  106.794   90.910 -145.2142  107.144   8.3536   4.3326   4.1884   2.9853 -0.000000 0.000000 
1 1 1  -27    0    6 o   22.401   1.7429  518.394   72.664  547.358   98.703  484.123  107.368   23.217   2.2378   21.585   2.6726 -0.000000 0.000000 
1 1 1  -27    0    7 o   8.5907   3.1735  113.018   69.969  129.778   98.459   95.918   99.450   9.1691   4.5625   8.0124   4.4123 -0.000000 0.000000 
1 1 1  -27    0    8 o   9.8389   3.1743  136.246   74.240   62.576  101.855  219.745  108.437   7.0914   4.2208   12.586   4.7423 -0.000000 0.000000 
1 1 1  -27    0    9 o   11.655   2.9805  190.207   70.317  265.477   97.371  108.171  101.654   14.914   3.8924   8.3968   4.5149 -0.000000 0.000000 
1 1 1  -27    0   10 o   19.601   2.0386  405.173   70.210  317.911   95.136  509.548  104.047   16.968   3.2279   22.234   2.4909 -0.000000 0.000000 
1 1 1  -27    0   11 o   12.543   2.6499  215.150   70.761  344.465   97.527   71.406  102.825   17.780   3.1105   7.3062   4.2911 -0.000000 0.000000 
1 1 1  -27    0   12 o   32.334   1.2525  1036.95   78.012  983.218  108.231  1095.06  112.549   31.450   1.7860   33.218   1.7566 -0.000000 0.000000 
1 1 1  -27    0   13 o   29.840   1.3578  890.256   77.872  894.977  108.892  885.315  111.406   29.934   1.8913   29.745   1.9486 -0.000000 0.000000 
1 1 1  -27    0   14 o   7.9974   3.1373   96.278   73.811  125.114  100.839   62.998  108.332   8.8705   4.5729   7.1244   4.2966 -0.000000 0.000000 
1 1 1  -27    0   15 o   12.742   2.8871  229.820   72.091  314.599   97.023  125.322  107.717   16.671   3.3875   8.8135   4.6761 -0.000000 0.000000 
1 1 1  -27    0   16 o   14.059   4.2533  253.859  101.269  253.859  101.269   0.0000   0.0000   14.059   4.2533   14.059   4.2533 -0.000000 0.000000 
1 1 1  -27    1    1 o   17.287   1.5039  300.703   50.463  295.312   70.928  306.228   71.810   17.128   2.1332   17.446   2.1205 -0.3174419 3.007818 
1 1 1  -27    1    2 o   13.812   1.9054  199.403   50.027  175.079   70.445  224.150   71.056   12.781   2.9051   14.843   2.4662 -2.061137 3.810749 
1 1 1  -27    1    3 o   37.415   0.7841  1372.51   56.917  1411.38   80.022  1332.71   80.973   37.959   1.0860   36.872   1.1313 1.087395 1.568202 
1 1 1  -27    1    4 o   12.818   1.8960  181.413   48.221  280.033   66.978   75.289   69.480   16.713   2.0645   8.9239   3.1807 7.788984 3.791982 
1 1 1  -27    1    5 o   24.141   1.1120  576.205   52.001  627.608   74.508  527.386   72.611   25.204   1.5229   23.078   1.6208 2.126823 2.224025 
1 1 1  -27    1    6 o   14.774   1.7900  225.924   49.638  184.228   69.016  270.608   71.445   13.167   2.7870   16.380   2.2470 -3.212272 3.579989 
1 1 1  -27    1    7 o   20.751   1.2629  427.986   50.840  448.113   73.129  409.158   70.729   21.226   1.7749   20.276   1.7970 0.9497147 2.525753 
1 1 1  -27    1    8 o   27.564   0.9891  749.152   52.908  727.190   74.767  771.180   74.880   27.153   1.4185   27.975   1.3789 -0.8214970 1.978252 
1 1 1  -27    1    9 o   7.6876   2.1600   36.790   48.981   13.942   70.476   58.137   68.123   7.0903   2.9911   8.2849   3.1171 -1.194606 4.320010 
1 1 1  -27    1   10 o   9.6294   2.2790   94.205   50.165  110.073   73.923   80.660   68.298   10.204   3.2848   9.0550   3.1600 1.148815 4.558046 
1 1 1  -27    1   11 o   13.062   1.9936  181.499   50.801  113.913   70.374  255.042   73.410   10.310   3.1903   15.814   2.3914 -5.503446 3.987102 
1 1 1  -27    1   12 o   26.643   1.0246  702.152   52.985  688.188   74.162  716.711   75.726   26.373   1.4486   26.914   1.4495 -0.5406742 2.049276 
1 1 1  -27    1   13 o   7.1804   2.1004   14.927   50.136 -29.6269   72.755   55.216   69.185   6.1977   2.8077   8.1631   3.1246 -1.965384 4.200721 
1 1 1  -27    1   14 o   12.720   2.1113  177.473   51.235  180.740   73.103  174.319   71.828   12.836   2.9896   12.605   2.9821 0.2308798 4.222629 
1 1 1  -27    1   15 o   12.131   2.1778  163.372   52.654  115.622   73.370  214.080   75.608   10.260   3.2693   14.002   2.8779 -3.741767 4.355580 
1 1 1  -27    1   16 o   11.898   2.7581  164.147   73.908  140.200  102.632  189.942  106.519   11.141   3.8745   12.655   3.9265 -1.514412 5.516287 
1 1 1  -27    2    1 o   8.6827   2.2125   69.808   47.743   61.081   66.363   79.171   68.736   8.3397   3.0885   9.0257   3.1690 -0.6860485 4.425057 
1 1 1  -27    2    2 o   14.650   1.7904  222.881   49.375  189.475   69.527  256.870   70.131   13.354   2.7728   15.945   2.2657 -2.591564 3.580810 
1 1 1  -27    2    3 o   30.942   0.9066  937.718   54.346  884.314   74.116  999.824   79.927   29.995   1.2729   31.888   1.2912 -1.893127 1.813149 
1 1 1  -27    2    4 o   18.653   1.3967  347.499   50.518  325.691   70.279  370.814   72.668   18.039   2.0070   19.266   1.9430 -1.227406 2.793478 
1 1 1  -27    2    5 f   10.910   2.1511  127.753   48.621   89.866   69.692  163.680   67.866   9.4499   3.1957   12.369   2.8802 -2.919245 4.302148 
1 1 1  -27    2    6 o   8.4214   2.2039   60.074   48.699   36.018   69.689   83.032   68.081   7.6724   3.0756   9.1704   3.1576 -1.498065 4.407856 
1 1 1  -27    2    7 o   29.127   0.9547  836.543   53.880  889.734   75.897  782.502   76.501   30.077   1.2999   28.177   1.3986 1.899857 1.909466 
1 1 1  -27    2    8 o   25.386   1.0543  637.107   51.827  582.561   72.793  693.182   73.807   24.267   1.5453   26.505   1.4345 -2.238535 2.108502 
1 1 1  -27    2    9 o   23.576   1.1537  551.345   52.778  572.708   75.060  530.454   74.226   24.034   1.6088   23.117   1.6541 0.9174671 2.307465 
1 1 1  -27    2   10 o   17.382   1.5021  304.818   50.642  294.122   72.094  315.236   71.153   17.065   2.1764   17.699   2.0710 -0.6345863 3.004246 
1 1 1  -27    2   11 o   22.862   1.1871  520.546   52.618  496.036   74.830  544.517   74.003   22.313   1.7277   23.411   1.6284 -1.098768 2.374134 
1 1 1  -27    2   12 o   29.703   0.9549  871.550   55.010  894.030   76.837  847.912   78.792   30.109   1.3146   29.297   1.3855 0.8124676 1.909898 
1 1 1  -27    2   13 o   24.500   1.1330  597.747   53.805  608.836   74.556  585.695   77.727   24.756   1.5515   24.244   1.6516 0.5121689 2.266020 
1 1 1  -27    2   14 o   17.784   1.5531  322.340   53.557  342.758   76.546  302.758   74.962   18.354   2.1485   17.214   2.2434 1.139969 3.106248 
1 1 1  -27    2   15 o   7.2167   2.1629   5.8061   54.781 -40.2225   77.000   52.983   77.954   6.1604   2.8277   8.2730   3.2735 -2.112580 4.325703 
1 1 1  -27    2   16 o   13.199   2.6907  205.539   77.477  287.440  108.425  120.089  110.749   15.752   3.6216   10.646   3.9804 5.105885 5.381446 
1 1 1  -27    3    1 o   15.600   1.6262  245.469   49.109  272.179   71.809  222.000   67.312   16.407   2.2547   14.794   2.3440 1.613309 3.252326 
1 1 1  -27    3    2 o   29.820   0.9215  875.008   53.300  880.377   74.045  869.233   76.786   29.923   1.2747   29.716   1.3311 0.2072506 1.843066 
1 1 1  -27    3    3 f   27.110   0.9982  722.343   52.393  652.794   72.151  799.929   76.206   25.724   1.4449   28.497   1.3776 -2.772741 1.996400 
1 1 1  -27    3    4 o   31.310   0.9015  963.685   54.775  934.979   77.377  992.520   77.551   30.837   1.2926   31.783   1.2570 -0.9458237 1.803012 
1 1 1  -27    3    5 o   21.083   1.2731  442.332   52.091  453.696   73.751  431.019   73.585   21.359   1.7787   20.806   1.8219 0.5529060 2.546219 
1 1 1  -27    3    6 o   8.3179   2.1732   54.779   48.783   92.946   68.124   14.610   69.888   9.5383   3.1587   7.0975   2.9855 2.440806 4.346315 
1 1 1  -27    3    7 o   29.870   0.9111  877.423   52.818  874.840   75.264  879.930   74.141   29.823   1.3001   29.917   1.2767 -0.9369469E-01 1.822111 
1 1 1  -27    3    8 o   28.241   0.9729  786.144   53.320  767.431   75.502  804.761   75.309   27.900   1.3941   28.582   1.3573 -0.6820583 1.945722 
1 1 1  -27    3    9 o   25.341   1.1056  638.661   53.946  733.736   76.564  544.931   76.021   27.258   1.4470   23.424   1.6719 3.834587 2.211132 
1 1 1  -27    3   10 o   22.747   1.2008  515.185   52.862  565.629   75.259  466.063   74.266   23.871   1.6241   21.624   1.7693 2.247379 2.401691 
1 1 1  -27    3   11 o   25.847   1.0695  661.680   53.656  667.797   75.677  655.496   76.086   25.971   1.5011   25.723   1.5238 0.2480221 2.139001 
1 1 1  -27    3   12 f   30.895   0.9211  940.812   55.232  920.118   77.399  962.284   78.841   30.548   1.3052   31.242   1.3000 -0.6940708 1.842170 
1 1 1  -27    3   13 o   15.747   1.7235  257.528   51.139  295.984   73.560  221.559   71.142   17.054   2.2220   14.440   2.6352 2.614119 3.446962 
1 1 1  -27    3   14 o   21.337   1.2981  459.941   53.410  429.954   78.435  485.869   72.932   20.634   1.9582   22.039   1.7048 -1.404594 2.596281 
1 1 1  -27    3   15 o   24.883   1.1333  618.337   54.720  642.565   78.310  595.219   76.495   25.364   1.5905   24.401   1.6149 0.9630089 2.266650 
1 1 1  -27    3   16 o   15.719   2.3675  281.191   74.086  435.208  107.341  141.074  102.383   20.275   2.7274   11.164   3.8705 9.111332 4.734912 
1 1 1  -27    4    1 o   26.356   1.0537  689.705   53.603  612.919   76.370  764.267   75.255   24.874   1.5817   27.839   1.3926 -2.965235 2.107358 
1 1 1  -27    4    2 o   10.961   2.0584  122.767   50.530   35.935   70.588  214.029   72.367   7.6922   3.0911   14.230   2.7189 -6.537688 4.116778 
1 1 1  -27    4    3 o   12.040   2.0408  155.434   48.273  104.345   67.341  209.437   69.234   9.9642   3.1270   14.116   2.6232 -4.151813 4.081616 
1 1 1  -27    4    4 o   11.528   2.0489  141.059   48.498   75.876   67.472  210.733   69.758   8.8969   3.1383   14.160   2.6348 -5.262860 4.097728 
1 1 1  -27    4    5 o   11.488   2.1905  142.470   50.055  131.788   70.930  153.067   70.647   11.064   3.1508   11.912   3.0439 -0.8482208 4.380968 
1 1 1  -27    4    6 o   9.5329   2.2326   92.441   48.473   77.208   68.797  107.457   68.308   8.9702   3.1685   10.096   3.1463 -1.125423 4.465254 
1 1 1  -27    4    7 o   20.304   1.2664  412.466   49.634  440.886   68.410  380.878   72.122   21.079   1.6719   19.529   1.9025 1.549763 2.532717 
1 1 1  -27    4    8 o   9.6441   2.2099   96.186   47.882  114.970   66.427   75.870   69.082   10.372   3.0774   8.9165   3.1723 1.455230 4.419700 
1 1 1  -27    4    9 o   28.341   0.9860  793.088   54.182  769.411   77.713  815.484   75.581   27.916   1.4341   28.766   1.3535 -0.8502941 1.971975 
1 1 1  -27    4   10 o   18.337   1.4826  336.822   51.642  251.646   70.085  438.003   76.386   15.748   2.2927   20.925   1.8805 -5.177732 2.965225 
1 1 1  -27    4   11 o   37.083   0.8353  1351.92   60.080  1364.99   83.482  1337.88   86.530   37.280   1.1536   36.886   1.2085 0.3933296 1.670700 
1 1 1  -27    4   12 o   19.397   1.3741  378.482   51.586  343.879   72.578  413.808   73.334   18.472   2.0241   20.322   1.8590 -1.850134 2.748209 
1 1 1  -27    4   13 o   16.287   1.6621  274.412   50.542  335.387   73.266  219.047   69.814   18.206   2.0732   14.369   2.5986 3.836469 3.324224 
1 1 1  -27    4   14 o   9.1495   2.2784   84.533   50.360   77.847   72.423   90.793   70.075   8.9426   3.2400   9.3563   3.2043 -0.4137011 4.556884 
1 1 1  -27    4   15 o   7.7638   2.1934   37.069   51.400   71.623   73.636   4.2347   71.780   8.7197   3.2485   6.8080   2.9481 1.911643 4.386825 
1 1 1  -27    4   16 o   23.070   1.6513  549.962   73.806  567.871  108.400  534.485  100.773   23.387   2.3877   22.754   2.2815 0.6333046 3.302531 
1 1 1  -27    5    1 o   31.968   0.9062  1005.26   56.210  1011.22   80.756  999.664   78.286   32.054   1.2979   31.881   1.2650 0.1727009 1.812357 
1 1 1  -27    5    2 o   34.525   0.8378  1169.94   56.144  1153.35   78.804  1187.05   80.009   34.277   1.1844   34.773   1.1853 -0.4968719 1.675607 
1 1 1  -27    5    3 o   13.564   1.9436  195.054   49.419  168.649   68.899  223.035   70.924   12.544   2.8892   14.584   2.6007 -2.039966 3.887294 
1 1 1  -27    5    4 o   19.056   1.3772  364.397   50.720  395.962   70.969  331.441   72.514   19.934   1.8340   18.178   2.0550 1.756445 2.754383 
1 1 1  -27    5    5 o   30.089   0.8820  889.801   51.434  894.405   70.887  884.682   74.744   30.182   1.2099   29.996   1.2836 0.1860466 1.763973 
1 1 1  -27    5    6 o   16.062   1.6931  266.915   50.408  330.941   72.125  205.780   70.478   18.166   2.0454   13.959   2.6986 4.206501 3.386126 
1 1 1  -27    5    7 o   16.758   1.5653  283.237   50.688  249.479   70.579  319.193   72.841   15.696   2.3164   17.819   2.1059 -2.122382 3.130555 
1 1 1  -27    5    8 o   30.362   0.9356  908.990   54.964  822.306   77.432  997.026   78.034   28.881   1.3812   31.842   1.2625 -2.961138 1.871202 
1 1 1  -27    5    9 o   16.382   1.5983  272.322   50.260  223.902   70.017  323.792   72.189   14.822   2.4335   17.942   2.0727 -3.120031 3.196586 
1 1 1  -27    5   10 o   29.187   0.9688  844.039   54.445  970.173   77.255  719.574   76.742   31.397   1.2676   26.977   1.4655 4.419991 1.937632 
1 1 1  -27    5   11 o   24.718   1.0832  603.983   51.874  554.984   71.540  658.310   75.329   23.654   1.5580   25.781   1.5052 -2.126492 2.166367 
1 1 1  -27    5   12 o   8.2506   2.2036   57.458   48.685   41.492   69.656   72.706   68.072   7.7707   3.0881   8.7305   3.1444 -0.9597549 4.407257 
1 1 1  -27    5   13 o   22.485   1.1825  504.414   51.551  472.443   72.355  537.374   73.466   21.746   1.7140   23.224   1.6296 -1.478088 2.365063 
1 1 1  -27    5   14 o   15.562   1.8051  257.138   52.541  225.482   76.903  284.849   71.953   14.428   2.8469   16.696   2.2201 -2.267997 3.610205 
1 1 1  -27    5   15 o   24.434   1.1267  596.925   53.406  620.864   75.499  572.950   75.556   24.939   1.5595   23.929   1.6266 1.010748 2.253438 
1 1 1  -27    5   16 o   19.793   2.1650  437.639   78.188  329.836  113.697  534.361  107.695   16.939   3.5703   22.647   2.4498 -5.707874 4.329979 
1 1 1  -27    6    1 o   8.4386   2.0548   44.922   49.609  131.687   69.216 -46.7295   71.138   11.034   3.1022   5.8435   2.6953 5.190239 4.109501 
1 1 1  -27    6    2 o   6.5269   2.0350 -12.8558   50.171 -23.9807   67.895   0.5266   74.465   6.1124   2.7457   6.9415   3.0043 -0.8290668 4.069986 
1 1 1  -27    6    3 o   23.603   1.1110  551.361   50.789  549.167   69.466  553.881   74.445   23.568   1.5184   23.638   1.6224 -0.7030296E-01 2.222086 
1 1 1  -27    6    4 o   8.3025   2.1096   42.849   49.418 -26.8491   68.655  117.791   71.191   6.0981   2.7481   10.507   3.2014 -4.408703 4.219179 
1 1 1  -27    6    5 o   7.9139   2.1525   39.852   48.419   82.068   71.146   3.4295   66.084   9.1823   3.2241   6.6454   2.8529 2.536935 4.305047 
1 1 1  -27    6    6 f   9.0424   2.1601   70.979   50.076  133.428   70.540   7.5362   71.099   11.118   3.1337   6.9663   2.9740 4.152184 4.320278 
1 1 1  -27    6    7 o   13.682   1.9127  198.202   49.557  133.028   69.064  267.369   71.149   11.100   3.0910   16.264   2.2536 -5.163481 3.825323 
1 1 1  -27    6    8 o   9.6080   2.1289   86.696   49.890  157.842   70.656   15.953   70.455   12.077   3.0214   7.1388   2.9999 4.938241 4.257732 
1 1 1  -27    6    9 o   25.372   1.0560  634.440   51.918  593.844   71.019  681.037   76.088   24.503   1.4931   26.240   1.4937 -1.737070 2.112012 
1 1 1  -27    6   10 o   23.028   1.1382  524.198   50.648  458.253   69.425  599.223   74.051   21.468   1.6660   24.588   1.5515 -3.119921 2.276500 
1 1 1  -27    6   11 o   23.957   1.1145  570.226   51.732  579.560   71.363  559.888   75.100   24.183   1.5202   23.732   1.6302 0.4506226 2.229022 
1 1 1  -27    6   12 o   23.958   1.1009  569.990   50.967  642.834   73.174  501.352   71.030   25.471   1.4799   22.445   1.6302 3.025856 2.201805 
1 1 1  -27    6   13 f   25.467   1.0935  647.026   53.831  589.673   76.940  702.023   75.343   24.325   1.6294   26.610   1.4586 -2.285408 2.186912 
1 1 1  -27    6   14 o   12.323   2.1536  170.000   52.549  118.749   75.381  218.453   73.293   10.410   3.3135   14.236   2.7518 -3.825623 4.307148 
1 1 1  -27    6   15 o   13.499   2.0466  198.641   51.999  171.124   70.662  231.141   76.794   12.426   2.9699   14.573   2.8166 -2.147027 4.093136 
1 1 1  -27    6   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -27    7    1 o   14.848   1.7423  228.132   49.020  243.837   69.131  212.249   69.520   15.506   2.2967   14.189   2.6205 1.317015 3.484556 
1 1 1  -27    7    2 o   24.669   1.0905  602.821   52.100  609.866   71.566  594.876   75.996   24.840   1.4842   24.498   1.5981 0.3422985 2.180964 
1 1 1  -27    7    3 o   18.868   1.4329  358.995   52.136  398.689   73.016  317.704   74.469   19.979   1.8826   17.756   2.1606 2.223505 2.865729 
1 1 1  -27    7    4 o   13.999   1.8649  206.400   48.806  203.667   68.069  209.290   70.015   13.910   2.6170   14.089   2.6575 -0.1794720 3.729743 
1 1 1  -27    7    5 o   25.881   1.0598  662.784   53.089  723.469   75.380  603.057   74.782   27.077   1.4341   24.684   1.5607 2.393066 2.119530 
1 1 1  -27    7    6 o   18.978   1.3563  360.365   49.921  370.904   69.892  349.389   71.327   19.276   1.8678   18.681   1.9670 0.5955658 2.712530 
1 1 1  -27    7    7 o   30.954   0.8963  941.314   53.730  1032.27   77.319  856.369   74.719   32.411   1.2289   29.497   1.3049 2.913523 1.792526 
1 1 1  -27    7    8 o   28.598   0.9596  808.026   53.110  836.867   73.162  775.898   77.219   29.159   1.2925   28.037   1.4188 1.122074 1.919278 
1 1 1  -27    7    9 o   31.877   0.8917  999.818   55.154  1000.42   76.847  999.179   79.206   31.894   1.2412   31.861   1.2807 0.3325272E-01 1.783480 
1 1 1  -27    7   10 o   5.9271   1.9149 -40.1390   49.563 -62.1162   69.837 -17.8359   70.353   5.5143   2.5857   6.3400   2.8251 -0.8256798 3.829746 
1 1 1  -27    7   11 o   26.714   1.0259  707.010   53.110  751.206   74.918  662.362   75.299   27.572   1.3997   25.857   1.5002 1.715864 2.051820 
1 1 1  -27    7   12 f   7.9268   2.1577   42.599   49.121   2.6169   68.991   83.705   69.954   6.7092   2.8978   9.1444   3.1977 -2.435248 4.315394 
1 1 1  -27    7   13 o   29.819   0.9829  877.181   56.596  1009.72   82.468  759.179   77.814   31.966   1.3290   27.672   1.4486 4.294348 1.965877 
1 1 1  -27    7   14 o   9.6121   2.1518   86.359   51.467  166.937   73.910   10.504   71.711   12.255   3.1036   6.9691   2.9813 5.285882 4.303522 
1 1 1  -27    7   15 o   25.936   1.1169  673.219   56.139  692.130   77.963  652.854   80.905   26.340   1.5247   25.532   1.6324 0.8087044 2.233744 
1 1 1  -27    8    1 o   10.277   2.2030  107.737   50.094   61.108   68.495  161.359   73.452   8.3804   3.1309   12.174   3.0999 -3.793294 4.405934 
1 1 1  -27    8    2 o   8.6420   2.2418   65.068   50.650   93.516   70.396   34.536   72.930   9.5617   3.2119   7.7224   3.1284 1.839232 4.483655 
1 1 1  -27    8    3 o   15.066   1.7660  234.112   50.242  203.247   69.343  268.220   72.894   13.865   2.6733   16.268   2.3084 -2.402256 3.531997 
1 1 1  -27    8    4 o   7.6619   2.1770   31.997   49.958   10.223   67.824   57.822   73.863   6.8848   2.9209   8.4389   3.2289 -1.554074 4.354035 
1 1 1  -27    8    5 o   7.9514   2.1651   48.906   47.297   56.867   65.021   39.959   68.927   8.1579   3.0500   7.7449   3.0738 0.4129295 4.330174 
1 1 1  -27    8    6 o   8.0308   2.2136   47.620   49.720   41.856   68.409   54.073   72.390   7.7821   3.0705   8.2794   3.1894 -0.4972882 4.427278 
1 1 1  -27    8    7 o   8.0054   2.2305   45.271   51.048   51.240   70.707   38.773   73.777   8.1384   3.1474   7.8724   3.1614 0.2659645 4.460986 
1 1 1  -27    8    8 o   23.153   1.1981  533.326   53.752  495.134   75.668  572.231   76.371   22.298   1.7482   24.008   1.6387 -1.710192 2.396178 
1 1 1  -27    8    9 f   7.2811   2.1424   18.794   50.799  -4.3707   72.754   40.831   70.961   6.7417   2.9432   7.8206   3.1141 -1.078948 4.284840 
1 1 1  -27    8   10 o   29.191   0.9764  840.777   55.299  802.727   77.285  880.693   79.158   28.510   1.3965   29.873   1.3650 -1.363892 1.952826 
1 1 1  -27    8   11 o   30.430   0.9393  913.578   55.483  906.807   78.593  920.304   78.335   30.315   1.3356   30.545   1.3212 -0.2301350 1.878612 
1 1 1  -27    8   12 o   9.5021   2.2548   86.537   52.550  141.702   75.133   33.705   73.526   11.334   3.2479   7.6702   3.1284 3.663844 4.509508 
1 1 1  -27    8   13 o   18.722   1.4316  354.290   52.001  367.752   75.039  341.852   72.127   19.063   2.0279   18.382   2.0214 0.6811295 2.863256 
1 1 1  -27    8   14 o   33.965   0.8860  1139.84   58.381  1124.03   83.637  1154.88   81.528   33.724   1.2776   34.207   1.2278 -0.4831200 1.771953 
1 1 1  -27    8   15 o   7.7978   2.3188   24.436   61.552 -51.5283  107.446   61.544   75.096   7.1777   3.3113   8.4180   3.2469 -1.240344 4.637587 
1 1 1  -27    9    1 o   11.585   2.1167  144.589   47.925  130.232   65.287  161.365   70.573   10.973   2.9856   12.197   3.0012 -1.223608 4.233323 
1 1 1  -27    9    2 o   8.8255   1.9788   52.312   47.441 -39.6854   65.259  155.421   69.088   5.6675   2.6021   11.983   2.9820 -6.315952 3.957677 
1 1 1  -27    9    3 o   22.432   1.1575  501.581   49.944  517.652   66.978  481.454   74.957   22.876   1.5083   21.988   1.7561 0.8877659 2.314966 
1 1 1  -27    9    4 o   36.399   0.8186  1302.52   57.681  1334.82   79.293  1266.22   84.060   36.896   1.1071   35.901   1.2062 0.9946175 1.637248 
1 1 1  -27    9    5 o   23.718   1.1495  557.975   52.920  552.536   74.381  563.550   75.308   23.601   1.6235   23.834   1.6277 -0.2327499 2.298974 
1 1 1  -27    9    6 o   18.468   1.5287  349.729   52.398  232.429   72.828  475.608   75.445   15.088   2.4865   21.848   1.7789 -6.759781 3.057314 
1 1 1  -27    9    7 o   24.881   1.1181  613.655   53.906  566.401   75.538  662.694   76.951   23.889   1.6289   25.873   1.5321 -1.983927 2.236223 
1 1 1  -27    9    8 o   15.061   1.7919  236.533   50.786  268.968   71.740  203.949   71.905   16.288   2.2689   13.834   2.7741 2.454032 3.583787 
1 1 1  -27    9    9 o   15.766   1.6479  252.683   50.416  244.431   70.201  261.473   72.451   15.500   2.3332   16.033   2.3279 -0.5328817 3.295885 
1 1 1  -27    9   10 o   47.137   0.7410  2175.79   67.766  2082.11   94.205  2276.26   97.554   46.084   1.0531   48.189   1.0429 -2.105419 1.482075 
1 1 1  -27    9   11 o   6.3601   1.9861 -23.0732   50.024   21.460   70.785 -67.5041   70.704   7.2561   3.0250   5.4640   2.5745 1.792047 3.972282 
1 1 1  -27    9   12 o   16.749   1.5959  286.000   51.838  287.430   75.009  284.693   71.723   16.772   2.3039   16.726   2.2091 0.4620934E-01 3.191864 
1 1 1  -27    9   13 o   10.468   2.3097  119.733   52.595   98.328   74.955  140.495   73.819   9.6859   3.3140   11.250   3.2180 -1.563711 4.619344 
1 1 1  -27    9   14 o   21.337   1.2821  459.148   52.865  512.342   75.303  407.455   74.233   22.598   1.7166   20.077   1.9047 2.520905 2.564139 
1 1 1  -27    9   15 o   10.202   2.3585   51.313   59.781  244.481  108.784 -32.2602   71.553   14.370   3.8302   6.0333   2.7530 8.336483 4.716968 
1 1 1  -27   10    1 o   15.025   1.6621  229.455   48.424  215.585   67.056  244.569   70.002   14.544   2.3751   15.506   2.3256 -0.9621067 3.324141 
1 1 1  -27   10    2 o   31.515   0.8652  977.631   52.853  1002.88   73.459  950.537   76.104   31.950   1.1844   31.080   1.2614 0.8699913 1.730314 
1 1 1  -27   10    3 o   31.488   0.9025  976.355   55.106  990.786   76.584  960.861   79.354   31.741   1.2430   31.235   1.3087 0.5051842 1.804936 
1 1 1  -27   10    4 o   18.532   1.4808  344.952   53.109  309.482   73.381  383.969   76.963   17.513   2.1585   19.551   2.0279 -2.037800 2.961671 
1 1 1  -27   10    5 o   20.505   1.3067  419.776   51.968  416.837   71.924  422.987   75.170   20.441   1.8127   20.569   1.8826 -0.1283035 2.613443 
1 1 1  -27   10    6 o   8.5452   2.2340   62.643   50.484   90.309   69.591   31.911   73.347   9.4282   3.1934   7.6622   3.1248 1.765996 4.467912 
1 1 1  -27   10    7 o   15.274   1.7949  244.822   50.763  181.970   71.061  310.322   72.542   13.008   2.8893   17.541   2.1305 -4.532444 3.589859 
1 1 1  -27   10    8 o   24.125   1.1320  578.630   52.860  529.048   74.745  628.240   74.766   23.066   1.6693   25.184   1.5294 -2.117928 2.263997 
1 1 1  -27   10    9 o   36.003   0.8633  1273.67   60.289  1345.15   86.665  1206.64   83.923   36.986   1.2071   35.020   1.2345 1.966389 1.726584 
1 1 1  -27   10   10 o   7.9303   2.2221   41.170   52.002   12.863   75.191   67.122   71.995   7.2217   3.0701   8.6390   3.2134 -1.417383 4.444237 
1 1 1  -27   10   11 o   26.456   1.0349  693.367   53.146  691.319   75.525  695.376   74.800   26.414   1.4730   26.498   1.4542 -0.8426857E-01 2.069870 
1 1 1  -27   10   12 o   21.536   1.2540  464.170   52.372  436.273   73.098  493.595   75.073   20.860   1.8052   22.213   1.7411 -1.352882 2.508038 
1 1 1  -27   10   13 o   6.6315   2.0351 -25.6008   52.531   46.921   75.769 -92.7253   72.895   8.0658   3.2159   5.1973   2.4948 2.868567 4.070135 
1 1 1  -27   10   14 o   10.754   2.2782  129.126   52.052  153.264   72.514  103.466   74.763   11.700   3.1311   9.8093   3.3100 1.890377 4.556312 
1 1 1  -27   10   15 o   18.445   1.9806  382.541   61.280  320.132  109.451  411.036   73.958   16.747   3.4804   20.143   1.8914 -3.396215 3.961196 
1 1 1  -27   11    1 o   30.065   0.9364  890.082   54.616  851.108   75.760  932.255   78.807   29.380   1.3284   30.751   1.3202 -1.371660 1.872838 
1 1 1  -27   11    2 o   15.699   1.6590  250.941   50.531  258.825   71.311  242.990   71.612   15.960   2.3017   15.437   2.3897 0.5228386 3.317940 
1 1 1  -27   11    3 o   15.151   1.8179  238.270   51.779  196.589   71.328  284.703   75.285   13.562   2.8021   16.740   2.3169 -3.177413 3.635840 
1 1 1  -27   11    4 o   21.192   1.2195  452.118   49.410  484.336   66.044  411.161   74.465   22.113   1.5386   20.271   1.8924 1.842859 2.438944 
1 1 1  -27   11    5 o   28.935   0.9244  822.738   51.816  797.492   70.633  852.156   76.246   28.464   1.2783   29.405   1.3358 -0.9405861 1.848882 
1 1 1  -27   11    6 o   39.879   0.7807  1559.94   60.389  1642.98   85.930  1478.91   84.885   40.936   1.0814   38.822   1.1264 2.114243 1.561448 
1 1 1  -27   11    7 o   25.441   1.0749  641.798   53.001  606.518   75.369  676.313   74.547   24.732   1.5699   26.151   1.4685 -1.418924 2.149713 
1 1 1  -27   11    8 o   17.067   1.5942  295.318   52.636  328.559   75.685  264.182   73.250   18.026   2.1630   16.108   2.3426 1.917950 3.188443 
1 1 1  -27   11    9 o   18.276   1.4748  341.046   51.411  273.458   73.247  406.672   72.177   16.393   2.3018   20.158   1.8445 -3.765341 2.949659 
1 1 1  -27   11   10 o   7.7784   2.1851   40.365   49.948   19.198   73.496   58.531   68.087   7.3047   3.0665   8.2521   3.1138 -0.9474168 4.370261 
1 1 1  -27   11   11 o   10.507   2.2053  115.725   52.375  179.727   74.153   52.011   73.985   12.814   3.0290   8.2002   3.2061 4.613572 4.410634 
1 1 1  -27   11   12 o   15.407   1.8337  248.932   53.146  294.808   77.212  207.631   73.262   16.952   2.3464   13.862   2.8186 3.089879 3.667385 
1 1 1  -27   11   13 o   20.234   1.3749  414.085   53.925  386.241   75.762  442.674   76.771   19.521   1.9993   20.947   1.8880 -1.425581 2.749885 
1 1 1  -27   11   14 o   14.201   2.0263  220.989   53.922  237.769   76.125  204.092   76.391   14.818   2.7477   13.585   2.9788 1.232710 4.052573 
1 1 1  -27   12    1 o   24.866   1.0806  613.058   52.157  609.641   74.020  616.428   73.505   24.794   1.5379   24.939   1.5184 -0.1443405 2.161180 
1 1 1  -27   12    2 o   19.619   1.2983  385.671   49.267  348.137   69.547  423.480   69.802   18.631   1.9229   20.608   1.7449 -1.976137 2.596619 
1 1 1  -27   12    3 f   45.121   0.7120  1996.19   62.276  2052.69   86.625  1935.76   89.594   45.795   0.9744   44.446   1.0384 1.348648 1.424037 
1 1 1  -27   12    4 o   26.519   1.0069  695.075   51.749  644.965   72.732  746.449   73.643   25.537   1.4672   27.502   1.3794 -1.965481 2.013853 
1 1 1  -27   12    5 o   7.4451   2.1323   28.484   48.919   53.434   68.313   2.2255   70.083   8.1180   3.1054   6.7723   2.9229 1.345704 4.264607 
1 1 1  -27   12    6 o   24.099   1.1387  581.588   52.780  639.013   72.605  517.233   76.862   25.416   1.4716   22.782   1.7380 2.634195 2.277326 
1 1 1  -27   12    7 o   23.925   1.1280  571.113   52.010  598.283   70.577  538.823   76.941   24.588   1.4787   23.262   1.7039 1.326832 2.256056 
1 1 1  -27   12    8 o   13.166   2.0065  186.335   49.799  170.533   69.793  202.725   71.077   12.553   2.9194   13.780   2.7535 -1.226957 4.013034 
1 1 1  -27   12    9 o   23.835   1.1357  563.358   52.458  610.478   76.036  520.559   72.466   24.793   1.5799   22.877   1.6318 1.915947 2.271338 
1 1 1  -27   12   10 o   18.830   1.4708  360.705   53.383  326.417   77.389  391.831   73.734   17.917   2.2251   19.744   1.9239 -1.827019 2.941506 
1 1 1  -27   12   11 o   32.810   0.9004  1061.47   57.018  916.952   79.176  1217.15   82.178   30.464   1.3389   35.157   1.2041 -4.693689 1.800727 
1 1 1  -27   12   12 o   8.5191   2.2743   64.326   51.473   73.206   73.505   55.782   72.103   8.8106   3.2529   8.2276   3.1793 0.5830564 4.548540 
1 1 1  -27   12   13 o   25.430   1.1200  644.898   55.182  591.968   76.792  701.412   79.350   24.333   1.6257   26.527   1.5410 -2.193361 2.240014 
1 1 1  -27   12   14 o   21.583   1.2940  470.305   54.165  473.857   78.415  467.064   74.907   21.645   1.8663   21.522   1.7929 0.1221504 2.588008 
1 1 1  -27   13    1 o   42.276   0.7594  1745.28   62.033  1674.05   83.138  1834.73   93.172   41.323   1.0364   43.229   1.1103 -1.905930 1.518879 
1 1 1  -27   13    2 o   48.470   0.7608  2305.93   71.475  2332.58   98.786  2276.64  103.543   48.780   1.0433   48.161   1.1075 0.6187172 1.521528 
1 1 1  -27   13    3 o   18.300   1.4748  339.651   52.070  371.342   72.440  305.772   74.897   19.235   1.9401   17.365   2.2219 1.869585 2.949686 
1 1 1  -27   13    4 o   45.982   0.7416  2072.51   66.186  2073.52   92.866  2071.47   94.355   45.998   1.0401   45.967   1.0574 0.3016281E-01 1.483196 
1 1 1  -27   13    5 o   26.724   1.0064  710.960   51.753  759.409   70.375  653.902   76.372   27.760   1.3060   25.687   1.5316 2.073118 2.012833 
1 1 1  -27   13    6 o   18.901   1.4340  363.258   52.017  400.458   71.201  320.677   76.177   20.011   1.8329   17.791   2.2058 2.220865 2.867967 
1 1 1  -27   13    7 o   18.851   1.3984  358.502   50.966  332.774   73.433  382.414   70.792   18.161   2.0830   19.542   1.8662 -1.380987 2.796752 
1 1 1  -27   13    8 o   14.276   1.8349  213.346   49.718  205.681   71.471  220.534   69.207   13.875   2.7508   14.677   2.4291 -0.8021326 3.669858 
1 1 1  -27   13    9 o   39.826   0.7969  1558.20   61.599  1531.95   87.149  1584.42   87.079   39.487   1.1370   40.166   1.1169 -0.6790848 1.593754 
1 1 1  -27   13   10 o   8.2018   2.0200   19.307   51.600  140.383   73.376 -99.1475   72.577   11.287   3.2013   5.1166   2.4645 6.170489 4.040056 
1 1 1  -27   13   11 o   19.511   1.3901  384.922   52.519  357.235   74.656  412.050   73.897   18.784   2.0475   20.239   1.8809 -1.455149 2.780288 
1 1 1  -27   13   12 o   13.628   2.0626  203.876   52.960  179.237   75.719  227.472   74.100   12.711   3.0972   14.544   2.7247 -1.833177 4.125119 
1 1 1  -27   13   13 o   24.127   1.1952  583.617   55.956  592.615   80.478  575.197   77.854   24.299   1.7062   23.954   1.6743 0.3451614 2.390459 
1 1 1  -27   13   14 o   17.122   1.5124  301.033   50.148  317.124   70.042  284.109   71.831   17.631   2.0466   16.613   2.2274 1.017338 3.024837 
1 1 1  -27   14    1 o   15.654   1.7328  251.368   52.609  237.543   73.417  265.959   75.424   15.199   2.4884   16.109   2.4119 -0.9107943 3.465509 
1 1 1  -27   14    2 o   16.619   1.6364  282.009   52.641  289.388   72.452  273.758   76.613   16.884   2.2106   16.353   2.4134 0.5310268 3.272815 
1 1 1  -27   14    3 o   28.355   0.9531  793.484   52.444  793.572   73.209  793.390   75.164   28.363   1.3297   28.347   1.3660 0.1589966E-01 1.906300 
1 1 1  -27   14    4 o   20.373   1.2734  414.872   50.144  366.342   69.912  466.289   71.961   19.119   1.8838   21.628   1.7140 -2.509809 2.546842 
1 1 1  -27   14    5 o   8.0742   2.1074   40.091   49.277 -27.1840   69.736  107.184   69.641   6.1160   2.7617   10.032   3.1839 -3.916293 4.214794 
1 1 1  -27   14    6 o   30.374   0.9328  913.540   54.764  847.074   79.095  974.743   75.900   29.282   1.3915   31.467   1.2426 -2.185225 1.865549 
1 1 1  -27   14    7 o   40.028   0.7711  1572.39   59.914  1580.52   84.772  1564.27   84.691   40.133   1.0882   39.924   1.0928 0.2087898 1.542166 
1 1 1  -27   14    8 o   10.478   2.2685  118.935   50.491  115.212   71.014  122.741   71.804   10.332   3.2061   10.624   3.2103 -0.2920332 4.537048 
1 1 1  -27   14    9 o   24.857   1.1344  618.734   54.153  719.983   76.576  517.441   76.592   26.956   1.4634   22.758   1.7337 4.197760 2.268818 
1 1 1  -27   14   10 o   22.064   1.2361  486.440   52.895  502.405   76.840  472.061   72.922   22.400   1.7671   21.728   1.7290 0.6727619 2.472264 
1 1 1  -27   14   11 o   20.580   1.2684  425.743   50.375  418.901   75.035  431.357   67.969   20.390   1.8958   20.771   1.6857 -0.3808899 2.536861 
1 1 1  -27   14   12 o   18.715   1.4474  356.707   52.381  345.914   76.733  366.125   71.681   18.407   2.1475   19.023   1.9411 -0.6161594 2.894802 
1 1 1  -27   14   13 o   30.357   0.9872  915.520   58.110  910.432   83.999  920.189   80.474   30.259   1.4301   30.455   1.3612 -0.1959496 1.974368 
1 1 1  -27   15    1 o   49.478   0.7548  2404.49   71.982  2417.46   96.413  2388.15  108.200   49.662   1.0001   49.293   1.1308 0.3690453 1.509578 
1 1 1  -27   15    2 o   29.869   0.9617  880.798   55.732  863.603   77.396  899.316   80.320   29.571   1.3483   30.167   1.3716 -0.5961952 1.923328 
1 1 1  -27   15    3 o   8.6507   2.2820   67.261   51.418   70.314   71.114   63.916   74.431   8.7136   3.2024   8.5877   3.2519 0.1258907 4.564019 
1 1 1  -27   15    4 o   18.563   1.4582  352.544   50.781  248.961   70.888  461.732   72.781   15.619   2.3380   21.506   1.7434 -5.886591 2.916461 
1 1 1  -27   15    5 o   28.878   0.9315  820.450   52.129  787.534   71.207  858.465   76.523   28.262   1.2979   29.494   1.3366 -1.231432 1.863077 
1 1 1  -27   15    6 o   26.791   0.9871  707.013   51.226  672.724   69.742  747.184   75.487   26.094   1.3768   27.487   1.4147 -1.392738 1.974125 
1 1 1  -27   15    7 o   14.891   1.8674  234.637   52.235  271.855   73.349  196.337   74.406   16.323   2.3149   13.459   2.9310 2.863908 3.734868 
1 1 1  -27   15    8 o   15.918   1.7043  259.443   52.565  238.669   72.933  281.900   75.829   15.236   2.4660   16.600   2.3533 -1.364057 3.408682 
1 1 1  -27   15    9 o   47.176   0.7450  2182.99   68.187  2150.66   94.628  2217.91   98.340   46.819   1.0412   47.533   1.0658 -0.7141113 1.489973 
1 1 1  -27   15   10 o   26.483   1.0658  697.398   54.740  716.359   76.553  677.558   78.304   26.868   1.4678   26.099   1.5456 0.7688961 2.131511 
1 1 1  -27   15   11 o   11.425   2.2360  145.293   51.287  143.352   72.751  147.212   72.313   11.347   3.1769   11.502   3.1473 -0.1550016 4.471926 
1 1 1  -27   15   12 o   12.741   2.1062  179.292   51.321  205.493   73.897  154.881   71.328   13.702   2.8702   11.780   3.0833 1.922162 4.212403 
1 1 1  -27   15   13 o   10.455   2.1830  114.529   49.375  175.963   74.871   67.251   65.681   12.528   3.0964   8.3813   3.0780 4.146638 4.366021 
1 1 1  -27   16    1 o   10.744   2.2398  127.007   51.266  158.850   70.624   91.538   74.537   12.022   3.0279   9.4649   3.3013 2.557370 4.479589 
1 1 1  -27   16    2 o   7.1510   2.1168  -3.5085   52.311 -57.6216   69.804   65.812   79.006   5.5629   2.6010   8.7391   3.3405 -3.176199 4.233665 
1 1 1  -27   16    3 f   8.8840   2.2051   76.537   46.676   65.196   61.383   92.085   71.872   8.3018   2.9864   9.4661   3.2451 -1.164341 4.410124 
1 1 1  -27   16    4 o   12.552   2.1076  171.872   50.637  160.004   71.258  183.978   71.969   12.086   3.0400   13.018   2.9198 -0.9321642 4.215136 
1 1 1  -27   16    5 o   31.261   0.9586  966.927   58.048  1033.70   81.838  899.317   82.349   32.370   1.3024   30.152   1.4069 2.217913 1.917207 
1 1 1  -27   16    6 o   37.791   0.8304  1405.63   60.870  1350.19   86.353  1460.38   85.816   37.039   1.2010   38.544   1.1470 -1.505253 1.660717 
1 1 1  -27   16    7 o   31.499   0.8946  978.177   54.699  978.905   77.301  977.447   77.410   31.511   1.2637   31.487   1.2665 0.2454185E-01 1.789156 
1 1 1  -27   16    8 o   11.422   2.1314  141.124   51.536  213.791   73.622   71.306   72.165   14.099   2.7887   8.7446   3.2241 5.354709 4.262870 
1 1 1  -27   16    9 o   15.446   1.7446  254.583   49.607  196.670   71.970  307.001   68.471   13.472   2.8414   17.419   2.0249 -3.947083 3.489146 
1 1 1  -27   16   10 o   19.461   1.3920  382.149   52.403  427.708   75.839  340.523   72.492   20.596   1.8969   18.325   2.0379 2.271421 2.784059 
1 1 1  -27   16   11 o   30.317   0.9383  908.198   55.015  929.583   81.744  890.491   74.382   30.620   1.3752   30.013   1.2767 0.6071167 1.876500 
1 1 1  -27   16   12 o   19.401   1.2912  376.535   48.374  414.036   73.128  347.357   64.503   20.238   1.8614   18.565   1.7899 1.673193 2.582382 
1 1 1  -27   16   13 o   18.176   1.4062  331.311   49.252  387.540   74.886  288.447   65.383   19.521   1.9762   16.831   2.0012 2.689363 2.812485 
1 1 1  -27   17    1 o   30.342   0.9731  902.330   56.186  867.320   72.032  956.724   89.786   29.649   1.2515   31.035   1.4904 -1.385481 1.946164 
1 1 1  -27   17    2 o   10.050   2.2785  109.268   50.589  120.910   67.637   94.486   76.215   10.514   3.1016   9.5856   3.3386 0.9287271 4.556983 
1 1 1  -27   17    3 f   6.7132   2.0516  -4.3602   50.062   30.122   72.264 -36.1805   69.419   7.5182   3.0879   5.9083   2.7020 1.609905 4.103175 
1 1 1  -27   17    4 o   11.767   2.1735  149.190   51.585  101.005   70.108  206.076   76.175   9.7631   3.2030   13.771   2.9390 -4.008251 4.347035 
1 1 1  -27   17    5 o   16.821   1.5044  288.754   48.767  308.596   66.792  266.098   71.371   17.497   1.9665   16.146   2.2772 1.351254 3.008775 
1 1 1  -27   17    6 o   26.418   1.0268  688.295   52.507  762.915   77.177  623.993   71.643   27.752   1.4326   25.085   1.4713 2.667465 2.053551 
1 1 1  -27   17    7 o   9.9850   2.2745  106.982   50.445  120.543   69.891   92.235   72.883   10.504   3.1658   9.4665   3.2666 1.037004 4.548920 
1 1 1  -27   17    8 o   27.862   1.0324  770.935   55.671  844.863   79.202  698.740   78.267   29.209   1.3969   26.515   1.5206 2.694456 2.064840 
1 1 1  -27   17    9 o   10.626   2.0180  121.316   49.770  206.504   68.150   23.957   72.856   13.897   2.6223   7.3554   3.0679 6.542111 4.035924 
1 1 1  -27   17   10 o   8.3828   2.2328   57.532   51.750   17.150   73.948   96.289   72.445   7.2103   3.0540   9.5553   3.2581 -2.344970 4.465643 
1 1 1  -27   17   11 o   7.6617   2.1421   22.469   50.967   92.998   76.534 -33.7345   68.320   9.4615   3.3419   5.8618   2.6807 3.599718 4.284189 
1 1 1  -27   17   12 o   9.8309   2.4487   97.061   54.674  123.897   98.631   85.157   65.691   10.636   3.7898   9.0252   3.1020 1.611240 4.897448 
1 1 1  -27   18    1 o   8.7755   2.2655   68.596   54.538  114.067   71.198   4.0310   84.839   10.216   3.2169   7.3353   3.1908 2.880300 4.530910 
1 1 1  -27   18    2 o   7.4259   2.1891   16.243   52.713 -12.8884   69.080   56.850   81.559   6.3386   2.8134   8.5131   3.3547 -2.174519 4.378246 
1 1 1  -27   18    3 o   11.254   2.2170  124.307   51.276   72.241   64.368  214.727   84.824   8.5981   3.0618   13.910   3.2071 -5.311700 4.433960 
1 1 1  -27   18    4 o   8.9488   2.2449   79.084   49.830   99.031   66.342   53.266   75.478   9.6399   3.1127   8.2576   3.2356 1.382356 4.489767 
1 1 1  -27   18    5 o   11.192   2.2483  135.038   52.360   94.706   71.075  182.905   77.429   9.5248   3.2273   12.860   3.1311 -3.334926 4.496520 
1 1 1  -27   18    6 o   24.977   1.1489  621.927   55.693  637.279   79.510  607.139   78.035   25.282   1.6201   24.673   1.6293 0.6088047 2.297713 
1 1 1  -27   18    7 o   7.6219   2.1843   34.862   50.541   21.322   70.717   48.998   72.261   7.2129   3.0167   8.0308   3.1599 -0.8178892 4.368688 
1 1 1  -27   18    8 o   15.200   1.8009  243.319   51.811  225.768   73.895  260.289   72.663   14.493   2.7268   15.907   2.3531 -1.414783 3.601731 
1 1 1  -27   18    9 o   14.225   1.9024  216.922   51.104  195.901   74.698  235.418   70.068   13.350   2.9600   15.099   2.3905 -1.749065 3.804801 
1 1 1  -27   18   10 o   18.355   1.4147  341.033   50.305  362.550   74.010  322.556   68.585   18.883   2.0191   17.826   1.9820 1.057245 2.829323 
1 1 1  -27   18   11 o   14.782   1.7431  228.486   48.559  270.755   71.874  192.990   65.865   16.199   2.2858   13.366   2.6322 2.832504 3.486147 
1 1 1  -27   18   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -27   19    1 o   20.227   1.3923  425.857   52.544  466.964   67.966  364.793   82.837   21.612   1.6200   18.842   2.2648 2.770367 2.784589 
1 1 1  -27   19    2 o   7.7478   2.1619  -1.2923   52.832 -70.6111   66.832  114.206   86.267   5.1901   2.4626   10.306   3.5540 -5.115467 4.323792 
1 1 1  -27   19    3 o   14.031   1.9952  217.179   53.266  301.884   75.179  131.790   75.482   17.167   2.2560   10.894   3.2914 6.272369 3.990364 
1 1 1  -27   19    4 o   9.8116   2.1462   76.603   53.516 -12.9577   71.009  194.359   81.422   6.4215   2.8512   13.202   3.2086 -6.780231 4.292345 
1 1 1  -27   19    5 o   16.880   1.6844  309.613   50.864  375.521   67.923  225.471   76.746   19.332   1.8100   14.429   2.8412 4.903587 3.368742 
1 1 1  -27   19    6 o   17.157   1.7000  312.371   53.659  377.546   74.470  241.995   77.385   19.315   1.9862   14.999   2.7595 4.315793 3.400014 
1 1 1  -27   19    7 o   9.4672   2.3262   92.766   52.354   85.451   73.213  100.422   74.896   9.1963   3.2664   9.7380   3.3128 -0.5416994 4.652315 
1 1 1  -27   19    8 o   5.6721   1.8682 -56.7920   50.406 -30.1808   72.978 -81.0693   69.705   6.1593   2.7988   5.1849   2.4755 0.9744840 3.736452 
1 1 1  -27   19    9 o   17.279   1.9278  308.452   57.764  293.695   68.724  343.970  106.621   16.970   2.0863   17.587   3.2425 -0.6177311 3.855685 
1 1 1  -27   19   10 o   8.7597   2.1201   64.896   48.169  134.730   70.892   5.0063   65.652   10.965   3.1586   6.5546   2.8289 4.410121 4.240259 
1 1 1  -27   19   11 o   20.112   1.2756  399.651   49.087  508.452   75.163  318.732   64.820   22.484   1.7221   17.741   1.8822 4.742542 2.551157 
1 1 1  -27   20    1 o   13.618   2.1551  212.179   55.664  241.471   70.931  165.220   89.811   15.260   2.3944   11.976   3.5840 3.284278 4.310247 
1 1 1  -27   20    2 o   13.440   2.1002  203.040   53.463  227.327   68.781  165.967   84.979   14.820   2.3909   12.060   3.4537 2.759997 4.200488 
1 1 1  -27   20    3 o   24.703   1.2355  626.428   57.301  679.776   74.425  548.772   89.794   26.146   1.4664   23.260   1.9887 2.886419 2.470902 
1 1 1  -27   20    4 o   5.3201   1.8019 -99.1650   54.160 -56.8763   73.756 -148.6519   79.787   5.7402   2.6805   4.9001   2.4088 0.8401141 3.603813 
1 1 1  -27   20    5 o   10.501   2.3305  121.728   52.850  120.211   72.864  123.413   76.771   10.439   3.2490   10.564   3.3419 -0.1248379 4.660930 
1 1 1  -27   20    6 f   20.018   1.3252  407.204   50.617  496.880   72.259  320.801   70.928   22.277   1.6710   17.760   2.0574 4.516975 2.650491 
1 1 1  -27   20    7 o   22.743   1.1829  521.232   51.530  422.993   72.337  622.450   73.425   20.490   1.8187   24.997   1.5132 -4.507208 2.365892 
1 1 1  -27   20    8 o   18.898   1.3675  361.715   49.886  363.682   74.597  360.123   67.098   18.902   2.0330   18.893   1.8295 0.9113312E-02 2.734989 
1 1 1  -27   20    9 o   7.5442   2.1169   38.301   47.565   8.3564   69.301   64.971   65.402   6.7877   2.9179   8.3006   3.0676 -1.512897 4.233738 
1 1 1  -27   20   10 o   7.2149   2.0770   21.415   48.625 -26.3724   70.311   65.220   67.318   6.0839   2.7578   8.3458   3.1067 -2.261813 4.154097 
1 1 1  -27   21    1 o   18.234   1.5399  341.808   54.131  345.933   72.803  336.708   80.949   18.420   2.0361   18.048   2.3106 0.3716755 3.079709 
1 1 1  -27   21    2 o   17.606   1.7864  348.564   54.814  435.899   72.418  231.407   83.876   20.793   1.7942   14.419   3.0896 6.373707 3.572761 
1 1 1  -27   21    3 o   20.183   1.4651  424.742   55.699  467.866   73.239  365.587   85.779   21.566   1.7495   18.800   2.3505 2.766628 2.930121 
1 1 1  -27   21    4 o   33.015   1.1520  1110.64   72.383  937.485  107.363  1254.93   98.005   30.493   1.8138   35.537   1.4207 -5.044352 2.303982 
1 1 1  -27   21    5 o   31.427   0.9777  981.269   58.989  987.659   78.057  972.761   90.073   31.600   1.2725   31.255   1.4846 0.3446789 1.955335 
1 1 1  -27   21    6 o   29.116   1.0556  847.837   59.410  905.705   82.431  785.287   85.702   30.196   1.4063   28.035   1.5748 2.160276 2.111299 
1 1 1  -27   21    7 o   6.8448   2.0501  -1.9104   50.177   53.878   71.985 -54.6324   69.979   8.1115   3.1649   5.5781   2.6069 2.533368 4.100281 
1 1 1  -27   21    8 o   6.6126   2.0017  -4.8505   48.443   43.923   68.429 -53.8529   68.590   7.7057   3.0613   5.5195   2.5799 2.186170 4.003433 
1 1 1  -27   21    9 o   10.063   2.2543  111.761   49.442  117.781   69.699  105.665   70.147   10.294   3.1733   9.8313   3.2028 0.4631815 4.508603 
1 1 1  -27   22    2 o   17.977   1.5491  326.671   53.258  302.122   68.683  363.691   84.343   17.204   2.0567   18.751   2.3171 -1.547884 3.098234 
1 1 1  -27   22    3 o   25.767   1.1045  663.232   54.535  661.442   71.634  665.700   84.109   25.785   1.4311   25.749   1.6828 0.3679276E-01 2.209023 
1 1 1  -27   22    4 o   10.973   2.2370  135.778   54.699  195.682   74.287   64.839   80.840   13.297   2.9546   8.6489   3.3596 4.648540 4.474040 
1 1 1  -27   22    5 o   8.8952   2.2880   67.161   53.080   24.197   70.076  124.992   81.302   7.2117   3.0085   10.579   3.4482 -3.366956 4.576100 
1 1 1  -27   22    6 o   12.588   2.0459  183.370   53.490  268.172   72.127   79.728   79.737   16.109   2.3065   9.0663   3.3799 7.042870 4.091892 
1 1 1  -27   22    7 o   12.940   2.0379  184.152   51.492  131.993   72.843  236.247   72.798   10.838   3.2241   15.041   2.4933 -4.202490 4.075748 
1 1 1  -27   22    8 f   10.986   1.9490  127.364   49.917  225.069   69.746   24.761   71.473   14.700   2.4443   7.2732   3.0366 7.426425 3.898099 
1 1 1  -27   23    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -26    0    1 o   4.4926   2.2156 -88.2188   69.828 -99.8156   96.441 -75.4396  101.238   4.2853   3.0105   4.7000   3.2516 -0.000000 0.000000 
1 1 1  -26    0    2 o   5.7732   2.6331   4.8064   68.661   16.878   96.329  -7.6598   97.893   5.9825   3.8014   5.5639   3.6443 -0.000000 0.000000 
1 1 1  -26    0    3 o   54.360   0.9864  2889.20  103.906  2981.06  148.492  2801.07  145.447   55.211   1.3875   53.510   1.4024 -0.000000 0.000000 
1 1 1  -26    0    4 o   7.4673   2.9318   79.586   62.710   75.012   90.777   83.761   86.733   7.3478   4.1510   7.5867   4.1413 -0.000000 0.000000 
1 1 1  -26    0    5 o   17.756   2.1666  339.143   67.217  294.745   93.407  386.828   96.801   16.303   3.3392   19.210   2.7616 -0.000000 0.000000 
1 1 1  -26    0    6 o   12.168   3.0318  195.163   65.019  195.537   91.843  194.788   92.059   12.188   4.2808   12.147   4.2944 -0.000000 0.000000 
1 1 1  -26    0    7 o   11.374   3.1214  177.847   67.524  139.933   93.259  219.625   97.896   9.6977   4.4876   13.051   4.3400 -0.000000 0.000000 
1 1 1  -26    0    8 o   35.484   1.1457  1239.20   78.478  1231.04  108.660  1248.09  113.465   35.371   1.5899   35.598   1.6501 -0.000000 0.000000 
1 1 1  -26    0    9 o   17.393   2.3626  332.169   68.646  242.823   93.089  438.668  101.632   14.232   3.8972   20.554   2.6720 -0.000000 0.000000 
1 1 1  -26    0   10 o   24.711   1.4652  611.198   69.052  581.398   94.738  644.974  100.858   24.060   2.0633   25.361   2.0809 -0.000000 0.000000 
1 1 1  -26    0   11 o   16.171   2.3385  291.303   64.623  305.369   89.380  275.895   93.543   16.781   3.0398   15.561   3.5545 -0.000000 0.000000 
1 1 1  -26    0   12 o   8.1639   3.0391   98.545   64.162   80.253   86.768  120.617   95.311   7.4390   4.1123   8.8888   4.4759 -0.000000 0.000000 
1 1 1  -26    0   13 o   6.4012   2.7581   27.640   68.152 -27.0406   95.566   84.229   97.218   5.1517   3.4475   7.6507   4.3063 -0.000000 0.000000 
1 1 1  -26    0   14 o   52.006   1.0264  2657.65  103.181  2728.81  142.268  2578.69  149.869   52.766   1.3912   51.246   1.5095 -0.000000 0.000000 
1 1 1  -26    0   15 o   4.0231   2.0228 -125.1447   67.805 -98.9164   96.676 -150.5383   95.125   4.2729   3.0044   3.7732   2.7095 -0.000000 0.000000 
1 1 1  -26    0   16 f   19.791   2.8414  415.460  102.631  415.460  102.631   0.0000   0.0000   19.791   2.8414   19.791   2.8414 -0.000000 0.000000 
1 1 1  -26    0   17 o   7.4586   4.2516   81.203   96.371   81.203   96.371   0.0000   0.0000   7.4586   4.2516   7.4586   4.2516 -0.000000 0.000000 
1 1 1  -26    0   18 o   15.369   3.8667  282.743   99.775  282.743   99.775   0.0000   0.0000   15.369   3.8667   15.369   3.8667 -0.000000 0.000000 
1 1 1  -26    0   19 o   5.9031   3.8249   10.910  103.767   10.910  103.767   0.0000   0.0000   5.9031   3.8249   5.9031   3.8249 -0.000000 0.000000 
1 1 1  -26    1    1 o   10.326   2.1398  109.231   47.888   63.990   67.390  155.381   68.064   8.5454   3.1209   12.107   2.9282 -3.561226 4.279517 
1 1 1  -26    1    2 f   28.469   0.9204  793.906   50.819  775.531   70.123  814.231   73.752   28.126   1.2843   28.812   1.3187 -0.6854858 1.840764 
1 1 1  -26    1    3 o   23.602   1.0575  547.834   48.402  516.666   67.932  579.974   68.981   22.913   1.5273   24.290   1.4630 -1.376993 2.114916 
1 1 1  -26    1    4 o   19.414   1.3076  379.277   48.031  473.691   67.814  284.234   68.039   21.928   1.5931   16.900   2.0740 5.028450 2.615248 
1 1 1  -26    1    5 o   26.598   0.9701  694.915   49.899  772.718   71.216  619.884   69.937   28.075   1.3068   25.120   1.4342 2.954838 1.940269 
1 1 1  -26    1    6 o   18.466   1.3527  340.213   48.074  387.868   67.696  291.730   68.281   19.809   1.7605   17.123   2.0542 2.685398 2.705418 
1 1 1  -26    1    7 o   9.8097   2.1746   96.569   47.227  128.917   67.807   66.095   65.814   11.038   3.0589   8.5815   3.0917 2.456570 4.349176 
1 1 1  -26    1    8 o   7.1467   2.0681   16.685   46.972 -14.0329   65.817   48.572   67.057   6.2712   2.7666   8.0222   3.0749 -1.750961 4.136266 
1 1 1  -26    1    9 o   17.404   1.4328  301.843   48.304  278.773   68.136  325.153   68.488   16.719   2.0994   18.090   1.9504 -1.370497 2.865567 
1 1 1  -26    1   10 o   27.377   0.9593  734.718   50.881  802.334   73.398  672.163   70.598   28.596   1.3223   26.159   1.3903 2.437206 1.918677 
1 1 1  -26    1   11 o   9.6054   2.1834   93.080   46.630  112.183   66.697   74.817   65.216   10.341   3.0872   8.8696   3.0883 1.471565 4.366725 
1 1 1  -26    1   12 o   11.392   2.0938  139.635   47.332  165.525   65.045  110.498   69.004   12.516   2.7521   10.267   3.1562 2.248899 4.187553 
1 1 1  -26    1   13 o   8.0499   2.0881   43.129   46.899   99.747   67.014 -11.2205   65.658   9.8046   3.1245   6.2951   2.7708 3.509482 4.176143 
1 1 1  -26    1   14 o   8.1686   2.2082   52.914   48.883   44.771   68.020   61.611   70.300   7.8671   3.0746   8.4700   3.1704 -0.6028471 4.416391 
1 1 1  -26    1   15 o   29.055   0.9378  836.798   52.558  912.370   72.835  754.694   75.918   30.462   1.2318   27.648   1.4145 2.813644 1.875662 
1 1 1  -26    1   16 o   36.413   1.1266  1317.27   79.315  1168.37  110.728  1474.17  113.666   34.261   1.6649   38.565   1.5183 -4.304230 2.253290 
1 1 1  -26    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -26    1   18 o   19.277   1.8411  388.520   68.288  451.185   97.779  328.852   95.412   20.894   2.4108   17.660   2.7832 3.234081 3.682134 
1 1 1  -26    1   19 o   21.972   1.7165  504.845   72.248  414.180  101.617  597.524  102.740   19.831   2.6397   24.113   2.1949 -4.281691 3.433010 
1 1 1  -26    2    1 o   21.669   1.1359  463.271   47.570  408.651   66.445  520.705   68.134   20.341   1.6827   22.997   1.5263 -2.655306 2.271821 
1 1 1  -26    2    2 o   33.707   0.8140  1109.10   53.182  1031.22   73.418  1195.07   77.142   32.462   1.1651   34.952   1.1370 -2.490772 1.627946 
1 1 1  -26    2    3 o   23.416   1.0978  543.574   49.542  596.805   68.645  485.703   71.574   24.646   1.4348   22.187   1.6618 2.458136 2.195547 
1 1 1  -26    2    4 o   13.498   1.8134  188.199   46.285  207.261   63.930  167.199   67.100   14.392   2.2884   12.605   2.8136 1.787138 3.626754 
1 1 1  -26    2    5 o   24.101   1.0236  572.439   47.702  594.199   65.464  547.805   69.652   24.606   1.3705   23.596   1.5206 1.010071 2.047123 
1 1 1  -26    2    6 o   9.8883   2.0710  101.543   44.649  137.363   60.792   59.590   65.790   11.420   2.7706   8.3569   3.0788 3.062901 4.141917 
1 1 1  -26    2    7 o   31.099   0.8431  949.483   50.749  1009.14   70.803  886.459   72.777   32.119   1.1356   30.079   1.2464 2.039469 1.686163 
1 1 1  -26    2    8 o   10.153   2.0896  107.976   44.785  136.012   61.904   77.189   64.870   11.346   2.8223   8.9596   3.0823 2.386737 4.179247 
1 1 1  -26    2    9 o   24.512   1.0598  591.449   50.406  610.987   71.371  572.004   71.200   24.921   1.4753   24.103   1.5218 0.8184509 2.119515 
1 1 1  -26    2   10 o   20.527   1.2556  414.559   49.774  478.210   73.254  359.969   67.840   21.995   1.7157   19.059   1.8337 2.936510 2.511144 
1 1 1  -26    2   11 o   23.719   1.1011  555.077   50.580  509.163   71.185  601.897   71.883   22.714   1.6144   24.725   1.4977 -2.010441 2.202187 
1 1 1  -26    2   12 o   27.844   0.9404  760.027   50.776  800.775   73.879  723.550   69.901   28.549   1.3331   27.139   1.3269 1.409969 1.880881 
1 1 1  -26    2   13 o   32.147   0.8452  1013.06   52.720  971.188   73.628  1057.12   75.523   31.463   1.2055   32.831   1.1850 -1.368364 1.690446 
1 1 1  -26    2   14 o   27.522   0.9635  746.555   51.444  769.519   72.408  723.150   73.101   27.958   1.3342   27.086   1.3903 0.8718147 1.926900 
1 1 1  -26    2   15 o   31.386   0.8685  967.340   52.855  944.359   72.716  993.083   76.962   30.998   1.2085   31.775   1.2478 -0.7765827 1.737023 
1 1 1  -26    2   16 o   8.8317   2.5118   53.998   65.963   52.089   92.259   55.994   94.347   8.7547   3.5283   8.9087   3.5759 -0.1539726 5.023583 
1 1 1  -26    2   17 o   7.5558   2.3256  -5.3960   65.352 -47.6503   91.898   37.835   92.954   6.7197   3.0862   8.3919   3.4798 -1.672105 4.651220 
1 1 1  -26    2   18 o   9.4920   2.5072   71.324   67.043  147.432   96.750   1.0189   92.988   11.422   3.7634   7.5621   3.3137 3.859752 5.014327 
1 1 1  -26    2   19 o   10.710   2.7023  120.491   72.759   74.750  100.075  171.781  105.971   9.3282   3.7032   12.091   3.9365 -2.763002 5.404613 
1 1 1  -26    3    1 o   37.682   0.7881  1389.41   57.598  1403.68   80.010  1374.07   82.982   37.890   1.0878   37.475   1.1407 0.4154320 1.576261 
1 1 1  -26    3    2 o   20.860   1.1865  429.346   47.927  425.764   65.416  433.497   70.419   20.778   1.6219   20.942   1.7322 -0.1645069 2.372988 
1 1 1  -26    3    3 o   32.561   0.8330  1038.01   52.626  1070.05   74.249  1005.66   74.600   33.071   1.1566   32.050   1.1991 1.020058 1.665978 
1 1 1  -26    3    4 o   21.682   1.1786  464.112   49.549  470.416   68.726  457.289   71.502   21.845   1.6207   21.519   1.7117 0.3260822 2.357273 
1 1 1  -26    3    5 o   7.7382   2.0099   23.978   46.895 -54.9167   66.426  102.370   66.213   5.5106   2.5634   9.9657   3.0964 -4.455143 4.019760 
1 1 1  -26    3    6 o   20.549   1.1893  417.489   47.358  396.233   67.670  437.893   66.299   20.023   1.7410   21.075   1.6206 -1.051504 2.378530 
1 1 1  -26    3    7 o   37.879   0.7593  1403.34   55.794  1361.23   79.465  1444.29   78.357   37.313   1.0971   38.446   1.0499 -1.133324 1.518559 
1 1 1  -26    3    8 o   8.0908   2.1133   48.448   46.461   88.072   65.066   7.2279   66.364   9.3783   3.0861   6.8034   2.8880 2.574882 4.226624 
1 1 1  -26    3    9 o   27.768   0.9581  757.461   51.537  697.204   72.485  819.068   73.292   26.639   1.4017   28.896   1.3066 -2.257341 1.916265 
1 1 1  -26    3   10 f   41.018   0.7591  1640.26   60.341  1723.19   88.522  1568.28   82.468   41.981   1.0863   40.056   1.0606 1.924469 1.518169 
1 1 1  -26    3   11 o   12.282   2.0630  161.992   49.452  112.757   70.634  209.324   69.256   10.386   3.1933   14.178   2.6126 -3.791937 4.125929 
1 1 1  -26    3   12 o   9.1815   2.1924   81.413   47.422  108.728   67.382   54.605   66.754   10.183   3.1170   8.1802   3.0840 2.002716 4.384777 
1 1 1  -26    3   13 o   33.200   0.8372  1081.00   53.904  1082.32   77.958  1079.79   74.616   33.212   1.2092   33.188   1.1582 0.2401352E-01 1.674404 
1 1 1  -26    3   14 o   6.5885   1.9633 -11.4448   47.587 -81.3844   69.504   50.273   65.291   5.2255   2.4885   7.9515   3.0374 -2.725974 3.926611 
1 1 1  -26    3   15 o   32.877   0.8216  1063.90   52.255  1097.73   71.711  1025.60   76.301   33.454   1.1043   32.300   1.2169 1.153896 1.643236 
1 1 1  -26    3   16 o   26.456   1.4452  707.193   73.980  765.742  104.238  647.770  105.013   27.608   1.9450   25.303   2.1380 2.304703 2.890318 
1 1 1  -26    3   17 o   28.713   1.3803  830.357   76.880  845.492  111.179  816.487  106.427   28.949   1.9784   28.477   1.9253 0.4722137 2.760625 
1 1 1  -26    3   18 o   11.420   2.7410  146.857   72.499  154.455  103.982  139.668  101.137   11.648   3.9037   11.191   3.8488 0.4561472 5.481983 
1 1 1  -26    3   19 o   20.200   1.8847  430.723   73.573  383.441  103.124  479.738  104.998   18.988   2.7978   21.413   2.5261 -2.424419 3.769416 
1 1 1  -26    4    1 o   27.697   0.9430  750.418   50.617  702.913   69.391  804.440   73.997   26.763   1.3357   28.632   1.3314 -1.868637 1.885910 
1 1 1  -26    4    2 o   45.591   0.7173  2029.46   63.457  2115.44   90.594  1946.64   88.913   46.542   1.0027   44.640   1.0261 1.901985 1.434685 
1 1 1  -26    4    3 o   20.593   1.2414  419.529   49.593  429.016   69.505  409.690   70.783   20.838   1.7183   20.348   1.7920 0.4904881 2.482722 
1 1 1  -26    4    4 o   29.447   0.9224  851.879   52.620  902.600   73.808  799.449   75.040   30.352   1.2527   28.543   1.3544 1.809492 1.844876 
1 1 1  -26    4    5 o   14.002   1.8057  200.945   48.015  208.387   67.123  193.148   68.711   14.405   2.4004   13.598   2.6983 0.8069038 3.611446 
1 1 1  -26    4    6 o   14.989   1.7328  232.765   47.639  309.325   68.392  160.605   66.397   17.640   1.9973   12.339   2.8321 5.301332 3.465530 
1 1 1  -26    4    7 o   10.723   2.1209  119.934   47.571   77.728   66.938  163.004   67.619   9.0247   3.1296   12.420   2.8632 -3.395639 4.241753 
1 1 1  -26    4    8 o   28.128   0.9403  777.091   51.291  745.818   73.072  807.462   72.011   27.561   1.3658   28.694   1.2928 -1.133503 1.880650 
1 1 1  -26    4    9 o   40.718   0.7500  1618.27   59.241  1550.02   82.065  1692.54   85.605   39.823   1.0616   41.614   1.0597 -1.791084 1.500008 
1 1 1  -26    4   10 o   28.092   0.9710  775.104   52.932  772.821   75.845  777.271   73.907   28.047   1.3931   28.138   1.3531 -0.9020233E-01 1.942042 
1 1 1  -26    4   11 o   49.316   0.7092  2376.07   67.891  2374.03   96.260  2378.08   95.766   49.294   1.0060   49.338   0.9999 -0.4396057E-01 1.418374 
1 1 1  -26    4   12 o   33.109   0.8466  1078.38   54.172  1185.05   76.229  969.548   76.998   34.787   1.1288   31.431   1.2620 3.356266 1.693199 
1 1 1  -26    4   13 o   15.709   1.6390  249.593   49.799  274.574   70.722  225.026   70.133   16.519   2.2055   14.899   2.4249 1.619574 3.277909 
1 1 1  -26    4   14 o   24.165   1.0689  577.300   50.121  600.548   71.272  554.556   70.497   24.653   1.4893   23.678   1.5338 0.9755306 2.137869 
1 1 1  -26    4   15 o   21.538   1.4935  462.441   59.152  484.423  102.241  451.381   72.523   21.794   2.4167   21.282   1.7555 0.5118904 2.987036 
1 1 1  -26    4   16 o   15.474   2.2972  264.887   69.233  386.620   99.078  148.726   96.783   19.341   2.6390   11.607   3.7609 7.733651 4.594409 
1 1 1  -26    4   17 o   9.8291   2.5111   72.869   68.847 -16.3273   94.778  172.511  100.175   7.3497   3.2767   12.309   3.8060 -4.958941 5.022193 
1 1 1  -26    4   18 o   9.5432   2.6340   81.368   70.523   80.615   98.670   82.154  100.835   9.5024   3.7060   9.5839   3.7440 -0.8147717E-01 5.268021 
1 1 1  -26    4   19 o   11.988   2.7363  167.216   73.109  195.791  104.556  139.879  102.266   12.851   3.8718   11.125   3.8677 1.726220 5.472635 
1 1 1  -26    5    1 o   31.151   0.8974  954.289   54.086  1025.46   75.651  879.868   77.357   32.358   1.2044   29.944   1.3308 2.414707 1.794900 
1 1 1  -26    5    2 o   26.043   1.0132  666.408   51.034  663.783   69.218  669.535   75.541   26.000   1.3714   26.085   1.4918 -0.8490372E-01 2.026412 
1 1 1  -26    5    3 o   14.803   1.7216  222.696   48.111  192.496   66.255  256.382   69.975   13.600   2.6046   16.006   2.2521 -2.406380 3.443213 
1 1 1  -26    5    4 o   28.339   0.9368  788.942   51.444  814.561   71.478  761.409   74.099   28.827   1.2773   27.850   1.3706 0.9770870 1.873548 
1 1 1  -26    5    5 f   26.481   0.9731  687.262   49.976  649.811   69.139  728.240   72.321   25.725   1.3845   27.237   1.3678 -1.512007 1.946234 
1 1 1  -26    5    6 o   17.388   1.4324  300.933   48.319  305.062   67.478  296.587   69.222   17.519   1.9842   17.257   2.0664 0.2622223 2.864827 
1 1 1  -26    5    7 o   22.096   1.1415  480.865   48.868  441.045   67.885  523.693   70.404   21.139   1.6544   23.053   1.5733 -1.913975 2.283014 
1 1 1  -26    5    8 o   27.174   0.9593  724.984   50.601  720.116   71.761  729.797   71.362   27.082   1.3650   27.267   1.3482 -0.1852818 1.918621 
1 1 1  -26    5    9 o   34.599   0.8164  1172.43   54.787  1200.18   76.552  1143.29   78.443   35.027   1.1259   34.172   1.1825 0.8540611 1.632787 
1 1 1  -26    5   10 o   51.154   0.6896  2554.96   68.476  2548.47   96.306  2561.58   97.381   51.090   0.9711   51.219   0.9794 -0.1286507 1.379244 
1 1 1  -26    5   11 o   34.413   0.7975  1159.18   53.261  1195.87   75.527  1122.90   75.119   34.959   1.1130   33.868   1.1426 1.090813 1.595060 
1 1 1  -26    5   12 o   24.972   1.0385  612.229   50.246  575.739   68.548  654.604   73.868   24.173   1.4608   25.772   1.4766 -1.598349 2.077051 
1 1 1  -26    5   13 o   28.013   0.9388  771.551   51.024  783.235   73.481  760.671   70.907   28.214   1.3417   27.812   1.3134 0.4014988 1.877501 
1 1 1  -26    5   14 o   10.109   1.9676  103.083   46.416   18.085   66.569  183.502   64.752   7.0373   2.9337   13.182   2.6228 -6.144392 3.935174 
1 1 1  -26    5   15 o   22.409   1.5167  521.963   60.236  467.259  106.688  547.561   72.981   21.329   2.5768   23.489   1.6006 -2.160542 3.033429 
1 1 1  -26    5   16 o   9.6538   2.6227   80.484   69.928  105.967   97.740   53.761  100.089   10.308   3.7595   8.9997   3.6580 1.308064 5.245428 
1 1 1  -26    5   17 o   7.9435   2.3844 -11.8632   69.826 -102.0292   97.270   83.999  100.296   6.1930   2.9478   9.6940   3.7487 -3.501040 4.768831 
1 1 1  -26    5   18 o   8.6856   2.5603   42.299   71.136   58.919  108.268   29.674   94.363   9.1911   3.7779   8.1802   3.4565 1.010920 5.120510 
1 1 1  -26    5   19 o   19.398   1.9709  403.043   73.426  364.652  107.886  436.169  100.217   18.381   3.0236   20.414   2.5290 -2.032974 3.941790 
1 1 1  -26    6    1 o   53.396   0.6975  2783.87   72.297  2763.39  101.614  2804.87  102.884   53.198   0.9840   53.594   0.9889 -0.3961143 1.395069 
1 1 1  -26    6    2 o   50.042   0.6945  2445.69   67.435  2465.89   94.258  2424.52   96.516   50.259   0.9661   49.826   0.9979 0.4329758 1.388963 
1 1 1  -26    6    3 o   15.502   1.5935  239.807   47.683  206.906   65.602  276.657   69.428   14.357   2.3539   16.648   2.1484 -2.290565 3.186922 
1 1 1  -26    6    4 o   22.311   1.1188  490.193   48.333  485.469   65.906  495.690   71.095   22.206   1.5289   22.416   1.6339 -0.2100639 2.237655 
1 1 1  -26    6    5 o   18.930   1.2548  357.496   45.705  393.319   62.987  317.656   66.424   19.969   1.6249   17.891   1.9126 2.078136 2.509610 
1 1 1  -26    6    6 o   26.100   0.9648  671.482   48.668  713.209   67.273  625.664   70.494   26.971   1.2849   25.229   1.4394 1.741858 1.929517 
1 1 1  -26    6    7 o   19.976   1.2363  396.933   47.647  427.889   65.741  362.680   69.154   20.826   1.6262   19.125   1.8627 1.700670 2.472643 
1 1 1  -26    6    8 o   34.397   0.7929  1157.30   52.938  1131.38   74.593  1183.59   75.141   34.007   1.1300   34.787   1.1128 -0.7799911 1.585891 
1 1 1  -26    6    9 o   57.167   0.6987  3191.05   77.518  3280.48  110.161  3103.34  109.099   57.964   0.9791   56.371   0.9970 1.592888 1.397354 
1 1 1  -26    6   10 o   20.633   1.2319  421.125   49.332  418.797   69.107  423.544   70.443   20.577   1.7301   20.688   1.7541 -0.1108971 2.463722 
1 1 1  -26    6   11 o   17.966   1.4123  321.510   49.212  303.285   68.822  340.579   70.398   17.437   2.0333   18.495   1.9608 -1.058495 2.824677 
1 1 1  -26    6   12 o   15.035   1.7595  235.338   49.190  284.522   69.201  185.105   69.934   16.853   2.1153   13.217   2.8122 3.635676 3.518968 
1 1 1  -26    6   13 o   19.788   1.2718  392.698   48.424  345.612   69.995  435.922   67.062   18.602   1.9384   20.974   1.6471 -2.371925 2.543699 
1 1 1  -26    6   14 o   24.761   1.0380  606.551   49.613  527.212   69.394  689.503   70.957   23.078   1.5490   26.445   1.3823 -3.366669 2.076090 
1 1 1  -26    6   15 o   17.417   1.7416  301.506   56.742  343.327   96.083  279.110   70.312   18.222   2.7163   16.612   2.1804 1.610285 3.483190 
1 1 1  -26    6   16 o   15.429   2.3418  264.566   68.106  226.717   98.099  299.784   94.628   14.195   3.5650   16.662   3.0375 -2.467771 4.683596 
1 1 1  -26    6   17 o   13.733   2.4894  213.276   70.302  305.453  100.637  125.422   98.249   16.653   3.2297   10.813   3.7892 5.840518 4.978804 
1 1 1  -26    6   18 o   9.2659   2.5828   73.559   68.409   67.305   99.829   79.096   93.929   9.1793   3.6805   9.3525   3.6246 -0.1731997 5.165678 
1 1 1  -26    7    1 o   9.8143   2.1594   99.026   47.427  131.250   64.037   59.875   70.585   11.133   2.9251   8.4953   3.1774 2.637883 4.318805 
1 1 1  -26    7    2 o   22.561   1.1128  507.566   48.080  551.979   64.908  453.570   71.570   23.701   1.4108   21.420   1.7212 2.280453 2.225536 
1 1 1  -26    7    3 o   26.147   0.9763  673.442   49.344  697.450   67.507  645.900   72.305   26.666   1.3041   25.629   1.4533 1.036779 1.952697 
1 1 1  -26    7    4 o   18.046   1.3771  322.100   48.047  284.143   65.834  365.360   70.283   16.901   2.0067   19.192   1.8866 -2.290874 2.754256 
1 1 1  -26    7    5 o   24.589   1.0267  595.196   48.939  564.599   69.590  625.134   68.837   23.953   1.4966   25.225   1.4058 -1.271696 2.053352 
1 1 1  -26    7    6 o   23.131   1.1135  526.854   49.966  552.687   71.706  502.471   69.664   23.685   1.5596   22.576   1.5896 1.108101 2.226939 
1 1 1  -26    7    7 f   20.126   1.2314  399.889   47.997  438.964   69.306  363.878   66.534   21.079   1.6938   19.172   1.7877 1.906488 2.462712 
1 1 1  -26    7    8 o   8.7214   2.1715   65.563   47.560  103.831   68.405   29.756   66.170   10.032   3.1522   7.4108   2.9876 2.621096 4.343070 
1 1 1  -26    7    9 o   27.050   0.9687  718.042   50.843  690.315   70.978  747.262   72.864   26.511   1.3792   27.588   1.3606 -1.076212 1.937379 
1 1 1  -26    7   10 o   45.700   0.7157  2040.88   63.460  2056.18   88.562  2024.74   90.980   45.881   0.9944   45.519   1.0296 0.3625641 1.431411 
1 1 1  -26    7   11 o   23.817   1.1062  559.998   51.087  528.802   72.040  591.557   72.458   23.139   1.6038   24.494   1.5239 -1.355059 2.212342 
1 1 1  -26    7   12 o   32.326   0.8607  1026.11   53.953  998.671   77.371  1052.08   75.274   31.896   1.2496   32.757   1.1838 -0.8607578 1.721334 
1 1 1  -26    7   13 o   6.9807   2.0634   14.329   47.238  -3.6989   67.237   31.901   66.379   6.5325   2.8410   7.4289   2.9933 -0.8964219 4.126881 
1 1 1  -26    7   14 f   10.711   2.1010  118.596   48.773   56.496   67.399  186.863   70.667   8.2067   3.0977   13.216   2.8392 -5.009472 4.201956 
1 1 1  -26    7   15 o   22.619   1.3525  503.099   57.233  549.180   96.199  477.852   71.205   23.321   2.1250   21.916   1.6737 1.405241 2.704984 
1 1 1  -26    7   16 o   29.368   1.2923  862.839   73.619  893.270  106.552  835.044  101.835   29.857   1.8384   28.878   1.8166 0.9787750 2.584563 
1 1 1  -26    7   17 o   9.6696   2.5944   86.580   67.034  101.999   98.569   73.313   91.434   10.129   3.7614   9.2103   3.5743 0.9185467 5.188840 
1 1 1  -26    7   18 o   14.044   2.5720  228.290   71.418  185.640   99.281  274.027  102.811   12.607   3.7672   15.482   3.5028 -2.874890 5.144069 
1 1 1  -26    8    1 o   34.206   0.8217  1144.28   54.537  1106.10   75.916  1185.00   78.398   33.617   1.1634   34.796   1.1607 -1.179024 1.643350 
1 1 1  -26    8    2 o   44.156   0.7199  1904.99   61.691  1872.50   87.519  1937.08   86.972   43.779   1.0299   44.534   1.0061 -0.7552147 1.439708 
1 1 1  -26    8    3 o   24.118   1.0614  572.469   49.689  569.797   69.712  575.228   70.843   24.063   1.4924   24.173   1.5097 -0.1105556 2.122878 
1 1 1  -26    8    4 o   7.0732   1.9923  -5.5231   48.129 -88.3875   67.846   78.419   68.286   5.0717   2.4272   9.0746   3.1601 -4.002898 3.984673 
1 1 1  -26    8    5 o   16.788   1.5156  281.576   49.341  287.179   68.701  275.606   70.909   16.973   2.0852   16.603   2.2002 0.3703041 3.031289 
1 1 1  -26    8    6 o   26.750   0.9924  705.535   51.321  769.762   72.028  639.308   73.142   28.009   1.3248   25.492   1.4781 2.517248 1.984884 
1 1 1  -26    8    7 o   12.210   2.0165  157.657   46.936  162.063   66.197  153.203   66.559   12.392   2.8159   12.028   2.8873 0.3638134 4.033059 
1 1 1  -26    8    8 o   25.331   1.0222  634.558   49.904  713.160   70.056  553.585   71.105   26.956   1.3388   23.706   1.5452 3.250034 2.044485 
1 1 1  -26    8    9 o   25.840   0.9885  656.311   49.560  637.585   70.352  674.759   69.827   25.468   1.4230   26.212   1.3724 -0.7434998 1.976970 
1 1 1  -26    8   10 o   19.351   1.2845  375.489   47.212  466.669   67.159  286.400   66.385   21.748   1.5908   16.954   2.0171 4.794357 2.568940 
1 1 1  -26    8   11 f   29.778   0.9087  871.825   52.419  845.047   75.853  896.303   72.523   29.326   1.3324   30.229   1.2359 -0.9020329 1.817392 
1 1 1  -26    8   12 o   19.231   1.3137  368.156   49.042  370.393   69.691  365.961   69.025   19.288   1.8613   19.174   1.8545 0.1139774 2.627448 
1 1 1  -26    8   13 o   39.438   0.7781  1524.81   59.537  1568.87   83.859  1480.04   84.543   40.020   1.0795   38.856   1.1209 1.163456 1.556147 
1 1 1  -26    8   14 o   10.375   2.2438  114.487   49.236  123.632   73.330  106.980   66.438   10.714   3.2458   10.037   3.0989 0.6769276 4.487556 
1 1 1  -26    8   15 f   13.264   2.2821  196.484   57.014  176.729   94.417  207.821   71.527   12.561   3.6530   13.966   2.7363 -1.404238 4.564158 
1 1 1  -26    8   16 o   15.674   2.3043  271.219   67.842  240.790   96.304  301.197   95.586   14.678   3.4400   16.670   3.0668 -1.992698 4.608614 
1 1 1  -26    8   17 o   28.874   1.3026  830.472   72.637  924.080  109.611  757.179   96.992   30.299   1.8636   27.449   1.8203 2.849760 2.605107 
1 1 1  -26    8   18 o   10.780   2.6796  127.676   69.882  145.809   98.775  109.504   98.882   11.317   3.8047   10.242   3.7744 1.074650 5.359237 
1 1 1  -26    9    1 o   16.919   1.3961  283.039   45.709  255.457   62.222  315.371   67.367   16.023   2.0004   17.815   1.9481 -1.791431 2.792257 
1 1 1  -26    9    2 o   18.632   1.3603  345.533   49.074  325.340   70.407  364.612   68.437   18.083   2.0057   19.181   1.8380 -1.097960 2.720557 
1 1 1  -26    9    3 o   50.739   0.7113  2512.86   70.038  2450.73   97.497  2579.11  100.676   50.093   1.0027   51.386   1.0093 -1.293194 1.422671 
1 1 1  -26    9    4 o   46.318   0.7167  2097.72   64.374  2159.67   89.896  2032.52   92.226   47.029   0.9847   45.607   1.0417 1.421810 1.433479 
1 1 1  -26    9    5 o   30.158   0.8853  897.310   51.359  946.039   69.383  838.246   76.387   31.092   1.1496   29.223   1.3466 1.869333 1.770514 
1 1 1  -26    9    6 o   20.427   1.2139  411.872   47.923  406.501   64.633  418.430   71.422   20.296   1.6405   20.559   1.7896 -0.2634506 2.427791 
1 1 1  -26    9    7 o   17.006   1.4614  289.190   47.697  295.570   63.346  280.839   72.482   17.259   1.8907   16.753   2.2288 0.5065842 2.922752 
1 1 1  -26    9    8 o   35.081   0.7971  1205.63   54.178  1288.55   76.523  1122.30   76.715   36.302   1.0859   33.860   1.1672 2.442089 1.594191 
1 1 1  -26    9    9 o   8.9432   2.1669   73.824   46.889  107.142   66.760   41.388   65.871   10.141   3.1023   7.7459   3.0260 2.394675 4.333729 
1 1 1  -26    9   10 o   14.763   1.6919  223.329   47.164  202.686   67.442  243.089   65.982   13.946   2.5866   15.580   2.1817 -1.633933 3.383834 
1 1 1  -26    9   11 o   7.5598   2.1034   25.540   48.360   75.504   69.321 -21.8282   67.497   8.9549   3.1786   6.1648   2.7556 2.790100 4.206796 
1 1 1  -26    9   12 o   42.571   0.7487  1774.22   61.795  1659.86   86.809  1891.71   87.986   41.170   1.0862   43.971   1.0308 -2.800842 1.497479 
1 1 1  -26    9   13 f   17.194   1.4961  297.769   49.215  364.335   71.170  236.768   68.130   19.092   1.9204   15.296   2.2945 3.795639 2.992101 
1 1 1  -26    9   14 o   24.712   1.0588  600.794   50.594  679.554   74.434  533.157   68.979   26.220   1.4624   23.204   1.5314 3.015636 2.117512 
1 1 1  -26    9   15 o   29.400   1.0892  845.162   60.496  909.052   98.980  807.065   76.433   30.212   1.6877   28.589   1.3773 1.623398 2.178377 
1 1 1  -26    9   16 f   9.3907   2.5484   76.431   66.023  100.317   91.595   50.599   95.252   10.017   3.6415   8.7649   3.5662 1.251704 5.096880 
1 1 1  -26    9   17 o   17.609   2.1952  333.418   72.604  414.528  107.662  265.763   98.328   19.839   2.7956   15.380   3.3852 4.459049 4.390366 
1 1 1  -26    9   18 o   14.140   2.5261  238.489   71.860  160.122  106.763  303.400   97.165   11.751   3.9555   16.529   3.1431 -4.778036 5.052222 
1 1 1  -26   10    1 o   28.037   0.9315  771.773   50.671  751.927   72.172  791.063   71.156   27.676   1.3434   28.399   1.2908 -0.7234497 1.863005 
1 1 1  -26   10    2 o   32.672   0.8162  1042.87   51.718  990.338   71.488  1100.55   74.913   31.810   1.1577   33.535   1.1508 -1.724976 1.632387 
1 1 1  -26   10    3 o   19.548   1.2570  376.714   47.594  355.940   64.757  401.119   70.188   18.968   1.7587   20.128   1.7964 -1.159595 2.513992 
1 1 1  -26   10    4 o   24.292   1.0751  579.126   49.815  444.325   67.969  735.579   73.224   21.217   1.6503   27.368   1.3783 -6.151176 2.150175 
1 1 1  -26   10    5 o   51.991   0.6920  2638.83   69.811  2743.81   99.385  2536.58   98.085   53.015   0.9657   50.966   0.9914 2.049320 1.384027 
1 1 1  -26   10    6 o   33.854   0.8268  1125.98   54.132  1207.58   75.421  1039.28   77.741   35.139   1.1057   32.570   1.2296 2.569569 1.653652 
1 1 1  -26   10    7 o   41.142   0.7483  1651.50   59.620  1614.71   81.173  1694.58   87.853   40.653   1.0286   41.631   1.0871 -0.9772263 1.496614 
1 1 1  -26   10    8 o   9.2852   2.2247   84.628   47.866   92.118   66.789   76.718   68.634   9.5547   3.1258   9.0158   3.1666 0.5388079 4.449483 
1 1 1  -26   10    9 o   19.095   1.3589  362.933   50.184  325.621   70.585  401.074   71.364   18.080   2.0112   20.110   1.8281 -2.030605 2.717897 
1 1 1  -26   10   10 o   28.517   0.9233  796.082   50.974  830.742   75.439  766.962   69.147   29.078   1.3365   27.955   1.2742 1.123133 1.846560 
1 1 1  -26   10   11 f   37.872   0.7735  1403.10   56.824  1433.72   82.182  1375.06   78.658   38.264   1.1064   37.481   1.0811 0.7834663 1.546924 
1 1 1  -26   10   12 o   26.900   0.9951  711.491   51.774  731.386   76.974  695.054   69.967   27.228   1.4563   26.572   1.3565 0.6564198 1.990204 
1 1 1  -26   10   13 o   14.463   1.8346  217.176   50.438  207.406   70.916  227.178   71.751   13.999   2.7076   14.926   2.4763 -0.9274702 3.669257 
1 1 1  -26   10   14 o   32.678   0.8677  1049.95   55.037  1070.46   78.370  1029.99   77.309   32.994   1.2236   32.362   1.2306 0.6321373 1.735408 
1 1 1  -26   10   15 o   10.871   2.4553  129.444   57.537  110.667   99.101  138.993   70.668   10.467   3.7904   11.274   3.1221 -0.8073540 4.910690 
1 1 1  -26   10   16 o   31.477   1.2759  992.684   77.936  1012.22  112.038  974.367  108.483   31.770   1.8167   31.184   1.7921 0.5862427 2.551849 
1 1 1  -26   10   17 o   34.593   1.1673  1197.09   78.302  1187.93  113.055  1205.53  108.553   34.441   1.6910   34.745   1.6094 -0.3047523 2.334511 
1 1 1  -26   10   18 o   13.930   2.2380  213.124   64.796   95.925   88.500  348.539   95.129   9.6978   3.5712   18.162   2.6982 -8.464558 4.475912 
1 1 1  -26   11    1 o   37.796   0.7596  1396.89   55.730  1397.25   78.439  1396.52   79.195   37.802   1.0689   37.790   1.0796 0.1268005E-01 1.519244 
1 1 1  -26   11    2 o   30.873   0.8766  934.115   52.528  936.126   73.888  932.059   74.691   30.908   1.2315   30.837   1.2477 0.7111168E-01 1.753134 
1 1 1  -26   11    3 o   48.579   0.7023  2304.45   66.214  2291.38   92.782  2318.02   94.524   48.440   0.9867   48.717   0.9995 -0.2769852 1.404510 
1 1 1  -26   11    4 o   54.926   0.7044  2945.96   75.089  2866.18  105.607  3027.54  106.786   54.171   1.0043   55.681   0.9880 -1.509666 1.408787 
1 1 1  -26   11    5 o   17.460   1.4544  306.158   48.806  262.377   69.877  347.861   68.198   16.193   2.2230   18.726   1.8761 -2.533194 2.908824 
1 1 1  -26   11    6 o   11.746   2.0094  145.265   45.801  180.931   66.204  112.525   63.431   13.144   2.6854   10.347   2.9898 2.796670 4.018768 
1 1 1  -26   11    7 o   10.021   1.9879   97.421   45.902   22.591   64.329  175.043   65.518   7.1252   2.9185   12.917   2.6999 -5.791963 3.975783 
1 1 1  -26   11    8 o   33.751   0.8238  1117.95   53.838  1180.04   75.098  1052.29   77.222   34.730   1.1139   32.771   1.2139 1.958107 1.647546 
1 1 1  -26   11    9 o   29.663   0.9108  863.049   52.404  815.334   73.234  913.116   75.018   28.818   1.3091   30.508   1.2667 -1.690187 1.821642 
1 1 1  -26   11   10 o   9.8082   1.9124   77.067   49.489 -44.3794   69.877  199.286   70.099   5.8521   2.6890   13.764   2.7200 -7.912071 3.824820 
1 1 1  -26   11   11 o   32.246   0.8678  1019.97   54.275  1033.38   78.625  1007.78   75.015   32.441   1.2485   32.050   1.2058 0.3919182 1.735699 
1 1 1  -26   11   12 o   25.751   1.0138  646.681   50.388  733.199   76.203  579.463   67.169   27.262   1.4400   24.239   1.4275 3.022701 2.027629 
1 1 1  -26   11   13 o   34.357   0.8448  1156.85   56.277  1217.10   81.963  1103.10   77.407   35.200   1.1995   33.514   1.1899 1.685738 1.689576 
1 1 1  -26   11   14 o   27.533   0.9574  748.395   51.010  824.082   72.721  675.086   71.570   28.923   1.2952   26.143   1.4103 2.780621 1.914844 
1 1 1  -26   11   15 o   8.6158   2.3725   58.471   53.608   62.584   98.051   56.717   64.025   9.1524   3.6554   8.0792   3.0253 1.073156 4.744968 
1 1 1  -26   11   16 o   27.809   1.3595  786.528   71.724  739.640  111.960  819.164   93.408   26.979   2.1378   28.639   1.6802 -1.660034 2.719095 
1 1 1  -26   11   17 o   17.685   2.1199  332.342   69.886  436.507  105.832  251.795   93.063   20.392   2.6736   14.979   3.2905 5.412893 4.239765 
1 1 1  -26   11   18 o   20.239   1.9325  450.595   70.881  358.580  107.728  520.842   94.126   17.943   3.2107   22.536   2.1517 -4.592493 3.865036 
1 1 1  -26   12    1 o   47.758   0.7242  2228.99   67.114  2220.90   93.508  2237.58   96.384   47.673   1.0104   47.843   1.0378 -0.1698112 1.448456 
1 1 1  -26   12    2 o   35.166   0.8062  1211.58   54.954  1285.89   77.678  1137.14   77.755   36.256   1.1037   34.077   1.1755 2.179306 1.612411 
1 1 1  -26   12    3 o   27.995   0.9178  768.422   49.845  731.044   69.709  807.527   71.300   27.294   1.3157   28.695   1.2800 -1.400656 1.835616 
1 1 1  -26   12    4 o   12.006   1.9849  152.704   45.601  173.775   64.251  131.319   64.729   12.882   2.6576   11.130   2.9489 1.752558 3.969733 
1 1 1  -26   12    5 o   36.641   0.7717  1316.73   54.716  1408.10   76.479  1220.93   78.314   37.960   1.0379   35.322   1.1422 2.638088 1.543301 
1 1 1  -26   12    6 o   18.610   1.3494  343.442   48.709  355.952   70.623  332.092   67.269   18.929   1.9220   18.290   1.8947 0.6395073 2.698872 
1 1 1  -26   12    7 o   46.013   0.7221  2069.09   64.483  2052.12   92.022  2085.46   90.384   45.824   1.0345   46.202   1.0078 -0.3787766 1.444244 
1 1 1  -26   12    8 o   27.957   0.9577  767.499   51.963  787.427   74.430  748.549   72.579   28.311   1.3543   27.604   1.3545 0.7078094 1.915428 
1 1 1  -26   12    9 o   34.109   0.8249  1140.69   54.573  1108.79   77.988  1171.29   76.391   33.634   1.1945   34.584   1.1379 -0.9505653 1.649734 
1 1 1  -26   12   10 o   45.134   0.7312  1993.59   64.018  1957.14   91.701  2028.25   89.412   44.724   1.0562   45.545   1.0113 -0.8204308 1.462337 
1 1 1  -26   12   11 o   23.693   1.0812  553.573   49.576  616.114   71.710  496.317   68.613   24.986   1.4785   22.400   1.5779 2.586012 2.162339 
1 1 1  -26   12   12 f   17.838   1.3946  318.681   48.180  291.938   67.597  346.295   68.689   17.057   2.0415   18.618   1.9006 -1.560833 2.789250 
1 1 1  -26   12   13 o   36.278   0.7955  1293.46   55.900  1250.18   80.930  1332.95   77.303   35.681   1.1684   36.875   1.0799 -1.193329 1.591069 
1 1 1  -26   12   14 o   23.958   1.0716  571.752   49.423  540.786   73.569  597.221   66.721   23.327   1.6247   24.589   1.3978 -1.261686 2.143253 
1 1 1  -26   12   15 o   8.6101   2.1572   62.100   54.710 -85.0127  100.754  123.614   65.152   6.5633   3.0866   10.657   3.0144 -4.093663 4.314367 
1 1 1  -26   12   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -26   12   17 o   5.3922   1.8544 -133.3646   61.685 -117.6879   88.663 -148.0708   85.875   5.6105   2.7079   5.1739   2.5343 0.4366808 3.708826 
1 1 1  -26   13    1 o   22.735   1.0519  508.788   46.214  576.234   66.683  446.451   64.107   24.199   1.4196   21.271   1.5526 2.927200 2.103721 
1 1 1  -26   13    2 o   12.603   1.8169  170.795   44.356   81.547   62.824  259.503   62.633   9.0680   3.0343   16.137   1.9994 -7.069467 3.633859 
1 1 1  -26   13    3 o   6.3146   1.9450 -14.6877   45.913   20.466   66.349 -46.9893   63.600   7.1438   2.9493   5.4854   2.5366 1.658425 3.890038 
1 1 1  -26   13    4 o   24.183   1.0611  576.809   49.711  614.897   70.030  538.123   70.578   25.002   1.4429   23.364   1.5562 1.638186 2.122176 
1 1 1  -26   13    5 o   7.0461   2.0706   12.490   47.364 -11.3307   64.876   39.678   69.310   6.2779   2.7589   7.8144   3.0883 -1.536500 4.141216 
1 1 1  -26   13    6 f   19.496   1.3070  379.413   49.123  419.714   68.476  336.683   70.508   20.599   1.7125   18.392   1.9749 2.206554 2.613938 
1 1 1  -26   13    7 o   39.577   0.7530  1531.29   57.843  1494.22   81.071  1569.73   82.554   39.088   1.0685   40.066   1.0614 -0.9775009 1.506077 
1 1 1  -26   13    8 o   18.569   1.3622  343.473   49.044  336.162   70.597  350.292   68.183   18.365   1.9803   18.773   1.8710 -0.4084301 2.724354 
1 1 1  -26   13    9 o   30.135   0.9205  891.631   53.835  866.333   75.190  918.241   77.115   29.696   1.3043   30.575   1.2993 -0.8781204 1.841061 
1 1 1  -26   13   10 o   19.823   1.2991  392.933   49.723  361.615   72.020  421.458   68.732   19.034   1.9492   20.612   1.7178 -1.578348 2.598159 
1 1 1  -26   13   11 o   6.2906   1.9479  -8.3938   44.919   1.0288   68.721 -15.4229   59.354   6.7110   2.8954   5.8701   2.6065 0.8409362 3.895773 
1 1 1  -26   13   12 o   23.533   1.0601  546.062   48.331  570.132   71.113  525.399   65.888   24.006   1.5261   23.060   1.4719 0.9457226 2.120230 
1 1 1  -26   13   13 o   7.7273   2.1300   37.966   47.044   72.144   70.058   9.8967   63.488   8.7835   3.1860   6.6711   2.8279 2.112423 4.259984 
1 1 1  -26   13   14 o   18.602   1.3032  348.148   46.799  320.444   67.859  373.276   64.626   17.856   1.9577   19.348   1.7208 -1.491369 2.606474 
1 1 1  -26   13   15 o   20.288   1.5396  374.393   56.192  544.562  106.937  309.483   66.045   23.043   2.3907   17.532   1.9406 5.510550 3.079183 
1 1 1  -26   13   16 o   13.295   2.4566  190.017   62.488  251.672  104.287  155.483   78.050   14.809   3.6510   11.781   3.2879 3.027731 4.913233 
1 1 1  -26   13   17 o   16.722   2.1468  321.470   63.219  253.166  105.816  359.382   78.835   14.723   3.7053   18.722   2.1692 -3.999310 4.293603 
1 1 1  -26   14    1 f   34.081   0.8450  1139.05   55.896  1160.07   78.870  1117.83   79.228   34.401   1.1811   33.761   1.2089 0.6399384 1.690082 
1 1 1  -26   14    2 o   35.423   0.8146  1229.19   55.996  1194.15   79.040  1264.50   79.341   34.912   1.1663   35.934   1.1374 -1.021858 1.629101 
1 1 1  -26   14    3 o   31.700   0.8889  988.838   54.522  1051.02   75.893  922.517   78.378   32.749   1.1938   30.650   1.3173 2.099199 1.777806 
1 1 1  -26   14    4 o   10.829   2.0401  119.549   46.861   57.968   64.258  189.502   68.487   8.2294   3.0408   13.429   2.7205 -5.199460 4.080126 
1 1 1  -26   14    5 o   12.903   1.8685  178.557   46.947  275.380   66.697   83.480   66.093   16.608   2.0689   9.1988   3.1121 7.408929 3.737046 
1 1 1  -26   14    6 o   32.812   0.8283  1052.77   52.644  1154.18   76.087  959.643   72.913   34.333   1.1417   31.292   1.2004 3.041204 1.656573 
1 1 1  -26   14    7 o   25.450   0.9886  637.187   48.824  634.960   69.831  639.317   68.290   25.402   1.4162   25.498   1.3797 -0.9583473E-01 1.977142 
1 1 1  -26   14    8 o   33.699   0.8429  1116.35   54.976  1058.20   79.444  1169.79   76.155   32.838   1.2463   34.559   1.1352 -1.720299 1.685790 
1 1 1  -26   14    9 f   10.790   2.1374  124.197   46.701  111.635   65.838  136.918   66.253   10.271   3.0674   11.308   2.9773 -1.036317 4.274747 
1 1 1  -26   14   10 o   11.855   2.0166  146.798   47.042  210.444   70.181   94.872   63.391   14.148   2.6528   9.5619   3.0380 4.586327 4.033260 
1 1 1  -26   14   11 o   13.127   1.8964  182.456   46.699  205.233   66.879  160.784   65.237   13.988   2.5572   12.266   2.8012 1.721989 3.792897 
1 1 1  -26   14   12 o   13.179   1.8309  179.318   45.808  223.324   68.010  142.776   61.974   14.821   2.3639   11.536   2.7965 3.284858 3.661781 
1 1 1  -26   14   13 o   36.133   0.9771  1296.33   62.196  1270.23  114.593  1307.23   74.052   35.743   1.6516   36.522   1.0445 -0.7785416 1.954168 
1 1 1  -26   14   14 o   15.638   1.5514  248.407   47.015  264.354   66.480  232.450   66.498   16.164   2.1187   15.113   2.2667 1.051153 3.102739 
1 1 1  -26   14   15 o   16.500   2.0836  342.683   54.449  192.733  102.901  400.994   64.169   12.950   3.8273   20.050   1.6487 -7.100801 4.167269 
1 1 1  -26   14   16 o   7.5019   2.2815  -7.5968   60.847   62.413   96.002 -54.6039   78.665   8.9972   3.6087   6.0067   2.7926 2.990456 4.563022 
1 1 1  -26   14   17 o   15.769   2.2006  278.799   63.411  252.972  104.033  294.066   79.987   14.735   3.6548   16.803   2.4522 -2.068194 4.401277 
1 1 1  -26   15    1 o   33.571   0.8441  1103.33   54.959  1055.08   75.782  1156.85   79.821   32.799   1.1902   34.343   1.1973 -1.543430 1.688287 
1 1 1  -26   15    2 o   10.314   2.2120  111.323   47.773  105.182   63.153  119.538   73.043   10.003   3.0081   10.625   3.2440 -0.6222286 4.424038 
1 1 1  -26   15    3 o   11.211   2.1092  134.469   46.696  140.075   63.717  127.964   68.632   11.470   2.8690   10.953   3.0924 0.5172567 4.218346 
1 1 1  -26   15    4 o   7.6389   2.0185   26.146   45.730 -37.5897   63.412   95.212   66.011   5.6410   2.5808   9.6368   3.1043 -3.995738 4.036923 
1 1 1  -26   15    5 o   21.351   1.1946  451.361   49.371  495.886   70.540  408.606   69.124   22.399   1.6223   20.302   1.7540 2.097351 2.389210 
1 1 1  -26   15    6 o   11.708   2.0837  148.012   49.460   88.299   71.004  204.296   68.935   9.4469   3.2255   13.970   2.6387 -4.523109 4.167364 
1 1 1  -26   15    7 o   6.3956   1.9946 -13.5405   48.483  -3.7863   67.812 -23.7402   69.344   6.5758   2.8565   6.2154   2.7846 0.3603964 3.989167 
1 1 1  -26   15    8 o   20.167   1.2751  404.630   49.862  421.828   70.019  386.935   71.023   20.617   1.7496   19.718   1.8555 0.8981342 2.550287 
1 1 1  -26   15    9 o   21.098   1.1922  447.376   47.865  543.011   67.373  349.910   68.015   23.458   1.4796   18.739   1.8698 4.719110 2.384408 
1 1 1  -26   15   10 o   7.4050   2.0895   34.146   45.103   36.623   67.048   32.099   60.958   7.5883   3.0253   7.2216   2.8829 0.3666739 4.178936 
1 1 1  -26   15   11 o   7.9073   2.1670   47.385   47.430   43.688   69.856   50.547   64.603   7.8840   3.1054   7.9306   3.0232 -0.4659510E-01 4.333961 
1 1 1  -26   15   12 o   19.538   1.2771  378.706   48.244  406.848   72.246  356.057   64.812   20.177   1.8446   18.898   1.7667 1.278955 2.554168 
1 1 1  -26   15   13 f   28.780   0.8944  814.826   49.927  836.987   72.361  794.690   68.977   29.149   1.2788   28.412   1.2507 0.7369232 1.788747 
1 1 1  -26   15   14 o   16.959   1.3930  291.712   45.262  239.119   63.904  344.654   64.117   15.357   2.1437   18.561   1.7796 -3.203732 2.786071 
1 1 1  -26   15   15 o   17.221   1.7909  275.664   55.378  397.253  105.699  229.660   65.016   19.447   2.8000   14.995   2.2336 4.451934 3.581759 
1 1 1  -26   15   16 o   12.358   2.1606  186.822   61.896   24.840  103.037  278.278   77.422   8.3360   3.5700   16.381   2.4349 -8.044571 4.321281 
1 1 1  -26   15   17 o   12.684   2.2901  185.639   60.376  101.695   87.028  263.526   83.830   9.8487   3.5542   15.520   2.8888 -5.671451 4.580173 
1 1 1  -26   16    1 o   40.875   0.7912  1630.97   62.481  1577.06   83.785  1698.51   93.781   40.132   1.0755   41.618   1.1608 -1.486443 1.582474 
1 1 1  -26   16    2 o   35.878   0.8223  1261.58   57.138  1256.31   78.112  1267.65   83.797   35.809   1.1237   35.947   1.2009 -0.1374741 1.644652 
1 1 1  -26   16    3 o   31.083   0.8980  946.431   54.062  915.797   73.554  982.423   79.728   30.546   1.2405   31.621   1.2989 -1.074688 1.796083 
1 1 1  -26   16    4 o   7.2455   2.1179   20.337   48.916   36.275   67.595   2.8127   70.877   7.6228   3.0381   6.8682   2.9517 0.7546544 4.235821 
1 1 1  -26   16    5 o   24.704   1.0270  600.541   49.211  571.768   68.238  631.721   71.035   24.087   1.4595   25.322   1.4452 -1.235054 2.053900 
1 1 1  -26   16    6 o   11.476   2.1060  140.823   47.657  118.349   66.897  163.981   67.908   10.550   3.0768   12.402   2.8765 -1.851705 4.212018 
1 1 1  -26   16    7 o   33.884   0.8294  1125.11   54.530  1146.73   78.497  1104.95   75.807   34.195   1.1826   33.572   1.1632 0.6231041 1.658763 
1 1 1  -26   16    8 o   25.149   1.0313  624.112   50.309  615.324   72.238  632.390   70.105   24.968   1.4905   25.330   1.4258 -0.3618298 2.062613 
1 1 1  -26   16    9 o   20.440   1.1481  413.824   45.539  429.779   64.937  398.385   63.879   20.832   1.6058   20.048   1.6414 0.7842579 2.296283 
1 1 1  -26   16   10 o   8.6375   2.1424   69.807   45.639   42.562   65.532   95.469   63.599   7.7075   3.0163   9.5675   3.0433 -1.860034 4.284831 
1 1 1  -26   16   11 o   17.175   1.6336  290.253   53.564  249.554   68.607  353.787   85.720   15.699   2.2513   18.651   2.3677 -2.952133 3.267171 
1 1 1  -26   16   12 o   7.6539   2.1031   38.584   46.153   70.573   66.439   8.7521   64.160   8.6412   3.1071   6.6667   2.8351 1.974504 4.206169 
1 1 1  -26   16   13 o   6.3284   1.9517  -5.6666   45.153   9.3618   66.667 -18.4034   61.374   6.7799   2.8867   5.8769   2.6273 0.9029369 3.903301 
1 1 1  -26   16   14 o   7.3567   2.0927   33.639   45.889   26.578   65.250   40.549   64.548   7.1626   2.9372   7.5508   2.9816 -0.3882027 4.185304 
1 1 1  -26   16   15 f   18.631   1.5796  350.440   51.963  366.698   96.491  343.800   61.669   18.735   2.6533   18.527   1.7147 0.2072659 3.159108 
1 1 1  -26   16   16 o   18.234   1.9757  337.988   66.757  456.173  109.490  268.055   84.223   20.786   2.7135   15.683   2.8724 5.103259 3.951479 
1 1 1  -26   17    1 o   12.441   1.9162  158.419   49.079   60.561   66.335  276.772   72.951   8.3306   3.0873   16.552   2.2705 -8.221019 3.832307 
1 1 1  -26   17    2 o   31.575   0.8742  975.499   52.673  959.675   68.238  998.828   82.853   31.292   1.1234   31.859   1.3397 -0.5669365 1.748371 
1 1 1  -26   17    3 o   13.445   1.8864  190.749   47.391  194.270   64.875  186.719   69.395   13.624   2.5468   13.266   2.7835 0.3573275 3.772801 
1 1 1  -26   17    4 o   31.894   0.8790  997.017   54.359  1065.03   78.618  934.719   75.243   32.939   1.2296   30.850   1.2564 2.088482 1.757975 
1 1 1  -26   17    5 o   33.170   0.8477  1079.58   54.542  1076.15   78.540  1082.78   75.802   33.112   1.2219   33.228   1.1752 -0.1158028 1.695322 
1 1 1  -26   17    6 o   33.291   0.8431  1085.38   54.437  1032.77   75.204  1143.28   78.900   32.445   1.1941   34.138   1.1906 -1.692871 1.686250 
1 1 1  -26   17    7 f   7.7683   2.1161   38.801   46.621   75.772   68.115   6.2189   63.945   8.9117   3.1522   6.6249   2.8241 2.286805 4.232267 
1 1 1  -26   17    8 o   7.2996   2.0313   22.077   45.869 -29.4329   65.047   73.026   64.692   5.8669   2.6566   8.7322   3.0738 -2.865340 4.062668 
1 1 1  -26   17    9 o   17.151   1.4303  295.049   47.606  295.249   68.162  294.859   66.519   17.150   2.0474   17.153   1.9978 -0.2250671E-02 2.860614 
1 1 1  -26   17   10 o   33.840   0.8229  1121.57   53.990  1186.38   78.610  1063.70   74.280   34.763   1.1649   32.918   1.1625 1.845654 1.645714 
1 1 1  -26   17   11 o   16.326   1.4951  277.652   45.644  221.294   69.525  320.343   60.511   14.722   2.4329   17.931   1.7385 -3.209014 2.990169 
1 1 1  -26   17   12 o   16.765   1.3658  281.560   44.002  337.157   64.009  231.744   60.589   18.369   1.7951   15.160   2.0588 3.208289 2.731534 
1 1 1  -26   17   13 f   18.232   1.2962  333.307   45.659  293.436   63.791  375.192   65.382   17.085   1.9235   19.380   1.7379 -2.295528 2.592327 
1 1 1  -26   17   14 f   19.990   1.5674  400.425   55.940  426.154  102.417  389.486   66.782   20.256   2.6047   19.724   1.7442 0.5311317 3.134780 
1 1 1  -26   17   15 o   16.397   1.9538  283.429   53.248  294.413  103.350  279.460   62.129   16.169   3.4005   16.625   1.9252 -0.4552135 3.907676 
1 1 1  -26   17   16 o   8.1411   2.3392   41.406   59.578   1.9433   89.122   73.290   80.108   7.4031   3.2440   8.8790   3.3709 -1.475874 4.678320 
1 1 1  -26   18    1 o   31.735   0.9561  1010.42   57.380  1091.32   75.153  897.338   88.850   33.348   1.1609   30.122   1.5196 3.226162 1.912286 
1 1 1  -26   18    2 o   32.841   0.8834  1061.94   56.146  1089.90   77.097  1030.36   81.928   33.321   1.1920   32.362   1.3042 0.9588623 1.766807 
1 1 1  -26   18    3 o   36.927   0.8135  1340.21   58.183  1402.28   80.950  1273.86   83.686   37.829   1.1024   36.025   1.1967 1.804306 1.627040 
1 1 1  -26   18    4 o   36.566   0.8104  1308.86   57.377  1281.11   78.065  1341.46   84.616   36.156   1.1123   36.976   1.1789 -0.8200493 1.620755 
1 1 1  -26   18    5 o   13.114   1.8964  181.279   47.508  123.931   66.303  241.785   68.105   10.753   3.0408   15.475   2.2671 -4.722528 3.792880 
1 1 1  -26   18    6 f   39.599   0.7637  1533.84   58.667  1598.82   84.876  1474.39   81.182   40.401   1.0823   38.798   1.0779 1.602638 1.527482 
1 1 1  -26   18    7 o   56.635   0.7074  3138.10   77.765  3141.56  110.942  3134.75  109.034   56.662   1.0086   56.608   0.9922 0.5411530E-01 1.414889 
1 1 1  -26   18    8 o   25.270   1.0298  631.707   50.417  600.669   72.277  661.121   70.362   24.648   1.5106   25.892   1.3999 -1.244129 2.059574 
1 1 1  -26   18    9 o   6.4668   1.9841  -2.0896   46.179   2.5090   65.595  -6.6082   65.022   6.5884   2.8356   6.3451   2.7759 0.2432885 3.968195 
1 1 1  -26   18   10 o   5.9252   1.8604 -31.1706   44.177   19.383   66.357 -71.4132   59.204   7.0483   2.9328   4.8020   2.2896 2.246332 3.720700 
1 1 1  -26   18   11 f   18.348   1.2565  331.065   44.409  380.767   68.029  294.159   58.622   19.525   1.7949   17.171   1.7587 2.353910 2.512941 
1 1 1  -26   18   12 o   11.501   1.8932  143.924   44.696   71.895   64.684  209.742   61.833   8.6316   3.0698   14.371   2.2165 -5.739569 3.786325 
1 1 1  -26   18   13 o   13.754   1.7831  198.674   46.443  218.421   65.416  178.604   65.949   14.618   2.3053   12.890   2.7211 1.728067 3.566299 
1 1 1  -26   18   14 o   21.066   1.3645  439.688   53.056  475.089   91.652  421.845   65.067   21.576   2.1883   20.556   1.6306 1.020067 2.729012 
1 1 1  -26   18   15 o   19.666   1.6367  373.723   52.767  448.976  113.131  352.799   59.654   20.559   2.8347   18.772   1.6370 1.787008 3.273443 
1 1 1  -26   18   16 o   8.5370   2.4177   57.245   60.001   23.741  105.176   73.410   73.056   8.3387   3.5898   8.7354   3.2394 -0.3966913 4.835313 
1 1 1  -26   19    1 o   23.274   1.1551  543.621   51.280  576.344   67.883  500.126   78.261   24.154   1.4478   22.394   1.8003 1.760422 2.310250 
1 1 1  -26   19    2 f   38.048   0.8095  1409.90   58.732  1366.47   75.731  1475.45   93.034   37.353   1.0445   38.744   1.2370 -1.390862 1.618978 
1 1 1  -26   19    3 o   17.786   1.5072  319.082   51.450  322.884   68.158  314.046   78.445   17.960   1.9550   17.612   2.2945 0.3482304 3.014439 
1 1 1  -26   19    4 f   24.205   1.1497  582.464   53.852  626.216   75.511  537.177   76.824   25.157   1.5463   23.253   1.7019 1.903893 2.299458 
1 1 1  -26   19    5 o   33.664   0.8661  1112.10   56.494  1093.65   77.355  1133.20   82.703   33.375   1.1940   33.953   1.2548 -0.5778923 1.732114 
1 1 1  -26   19    6 o   5.9654   1.9036 -33.9016   47.747  -1.6594   67.602 -65.9958   67.447   6.5876   2.8568   5.3432   2.5166 1.244436 3.807243 
1 1 1  -26   19    7 o   12.510   1.9310  165.955   45.621  191.707   66.516  143.081   62.690   13.470   2.6383   11.550   2.8205 1.919936 3.862067 
1 1 1  -26   19    8 o   37.103   0.7700  1345.54   55.362  1417.09   81.286  1283.64   75.608   38.016   1.1015   36.190   1.0763 1.825901 1.540024 
1 1 1  -26   19    9 o   8.3611   2.0265   46.009   46.348  128.051   67.907 -25.5398   63.415   10.877   3.0778   5.8453   2.6370 5.031595 4.053019 
1 1 1  -26   19   10 o   21.736   1.1405  471.283   47.437  456.228   72.808  482.388   62.530   21.388   1.7536   22.084   1.4586 -0.6960773 2.280981 
1 1 1  -26   19   11 o   17.572   1.2866  308.964   43.869  310.919   61.313  306.912   62.795   17.637   1.7909   17.506   1.8478 0.1304131 2.573257 
1 1 1  -26   19   12 o   31.532   0.8400  978.246   51.410  992.719   73.030  964.028   72.384   31.765   1.1844   31.300   1.1913 0.4648857 1.679910 
1 1 1  -26   19   13 o   12.312   2.0034  164.846   46.889  162.158   66.910  167.440   65.727   12.196   2.8735   12.428   2.7925 -0.2325907 4.006864 
1 1 1  -26   19   14 o   28.391   1.1403  805.606   57.419  803.630  104.890  806.452   68.613   28.200   1.9161   28.581   1.2367 -0.3809967 2.280527 
1 1 1  -26   19   15 o   6.3432   2.0070 -13.0748   49.367 -98.5522   98.414   15.666   57.066   6.2271   2.9643   6.4593   2.7064 -0.2321663 4.013943 
1 1 1  -26   20    1 o   9.8804   2.3108   96.192   51.948   66.679   68.201  136.978   80.175   8.5533   3.1372   11.208   3.3936 -2.654249 4.621511 
1 1 1  -26   20    2 o   14.991   1.7893  235.149   50.308  252.944   68.325  214.077   74.348   15.810   2.2263   14.172   2.8018 1.637382 3.578589 
1 1 1  -26   20    3 o   20.379   1.3018  414.890   51.405  418.924   70.860  410.407   74.687   20.502   1.7805   20.255   1.8995 0.2460785 2.603523 
1 1 1  -26   20    4 o   42.346   0.7673  1746.97   62.664  1669.27   83.244  1848.59   95.193   41.284   1.0387   43.409   1.1297 -2.125198 1.534660 
1 1 1  -26   20    5 o   16.433   1.5577  271.600   49.529  243.245   67.814  304.020   72.512   15.503   2.2534   17.363   2.1514 -1.860374 3.115475 
1 1 1  -26   20    6 o   34.911   0.8200  1196.72   55.559  1223.89   78.393  1169.29   78.752   35.315   1.1435   34.508   1.1757 0.8074455 1.640088 
1 1 1  -26   20    7 o   17.928   1.3967  321.551   47.812  403.628   70.032  249.897   65.435   20.117   1.7934   15.739   2.1418 4.377843 2.793467 
1 1 1  -26   20    8 o   28.102   0.9214  775.291   50.180  830.988   73.431  726.494   68.732   29.045   1.3024   27.158   1.3038 1.887941 1.842824 
1 1 1  -26   20    9 o   20.721   1.1704  427.213   46.703  424.743   70.470  429.147   62.367   20.635   1.7593   20.806   1.5442 -0.1712856 2.340844 
1 1 1  -26   20   10 o   16.984   1.4245  289.582   46.279  359.555   67.765  228.421   63.355   18.952   1.8420   15.016   2.1735 3.935686 2.849039 
1 1 1  -26   20   11 o   8.2816   2.1855   60.449   47.123   66.880   68.653   54.720   64.799   8.5356   3.1451   8.0276   3.0356 0.5079498 4.371045 
1 1 1  -26   20   12 o   7.5489   2.0599   35.657   45.305  -5.3023   63.422   78.337   64.741   6.2569   2.7393   8.8410   3.0771 -2.584134 4.119760 
1 1 1  -26   20   13 o   5.4257   1.7569 -54.4607   44.749 -121.7510   65.536   4.3145   61.250   4.4792   2.1981   6.3721   2.7413 -1.892956 3.513775 
1 1 1  -26   20   14 f   31.625   1.0944  1008.83   58.592  974.787  114.328  1020.96   68.233   31.042   1.8973   32.209   1.0913 -1.166340 2.188778 
1 1 1  -26   20   15 o   21.207   1.4224  464.342   52.429  442.647   97.489  473.170   62.187   20.620   2.4355   21.793   1.4700 -1.173019 2.844762 
1 1 1  -26   21    1 o   9.9527   2.2974  104.286   50.658  105.821   66.257  102.126   78.595   9.9640   3.0976   9.9414   3.3936 0.2262211E-01 4.594748 
1 1 1  -26   21    2 o   27.544   1.0229  760.218   52.653  790.968   66.871  710.057   85.410   28.362   1.2146   26.727   1.6462 1.634243 2.045811 
1 1 1  -26   21    3 o   21.842   1.2531  476.509   52.560  480.772   69.658  470.874   80.090   22.001   1.6311   21.684   1.9027 0.3168201 2.506138 
1 1 1  -26   21    4 o   7.7817   2.2215   28.253   52.034   0.1215   67.722   68.793   81.298   6.6203   2.8652   8.9431   3.3957 -2.322811 4.442973 
1 1 1  -26   21    5 o   20.986   1.5181  445.264   59.892  441.836   97.251  447.358   76.017   20.817   2.4067   21.155   1.8511 -0.3384190 3.036225 
1 1 1  -26   21    6 f   17.197   1.4741  299.596   48.893  318.502   67.012  278.076   71.496   17.824   1.9368   16.571   2.2226 1.253027 2.948102 
1 1 1  -26   21    7 o   14.954   1.7811  234.165   49.109  163.055   67.754  312.870   71.280   12.291   2.8887   17.617   2.0843 -5.326859 3.562142 
1 1 1  -26   21    8 o   14.848   1.6971  227.599   47.629  256.242   68.626  200.980   66.156   15.897   2.2239   13.799   2.5641 2.097747 3.394191 
1 1 1  -26   21    9 o   10.280   2.1287  114.496   46.728   77.917   68.533  146.275   63.878   8.9301   3.1615   11.630   2.8515 -2.699464 4.257486 
1 1 1  -26   21   10 o   7.0077   2.0213   15.115   45.682   58.355   65.754 -25.2278   63.513   8.1777   3.0652   5.8377   2.6358 2.340025 4.042640 
1 1 1  -26   21   11 o   33.381   0.8175  1099.57   52.794  1025.45   75.987  1168.73   73.403   32.268   1.2131   34.494   1.0962 -2.226475 1.635064 
1 1 1  -26   21   12 f   21.656   1.1216  463.009   46.930  517.302   70.534  419.882   62.864   22.782   1.5949   20.531   1.5774 2.251057 2.243206 
1 1 1  -26   21   13 o   25.724   0.9548  656.032   47.547  648.542   69.626  662.578   65.087   25.565   1.4030   25.882   1.2955 -0.3169155 1.909622 
1 1 1  -26   21   14 o   10.491   2.2864  130.251   52.484   61.903  101.462  155.220   61.326   9.0586   3.6826   11.922   2.7111 -2.863894 4.572898 
1 1 1  -26   22    1 o   12.709   2.1515  178.701   52.361  196.773   69.745  155.359   79.265   13.563   2.7434   11.855   3.3151 1.707940 4.303005 
1 1 1  -26   22    2 o   11.476   2.2528  145.001   51.959  153.407   69.586  134.408   78.112   11.865   3.0151   11.086   3.3480 0.7788935 4.505518 
1 1 1  -26   22    3 o   13.223   2.0373  189.597   50.429  197.703   66.760  178.826   76.956   13.662   2.6125   12.783   3.1270 0.8789663 4.074681 
1 1 1  -26   22    4 o   14.162   1.9042  215.585   49.974  237.375   65.419  185.051   77.440   15.307   2.2016   13.017   3.1077 2.290349 3.808487 
1 1 1  -26   22    5 o   23.974   1.1222  567.843   51.978  544.600   69.634  597.088   78.109   23.441   1.5303   24.507   1.6419 -1.065350 2.244485 
1 1 1  -26   22    6 o   28.681   0.9562  810.974   53.211  781.401   74.118  842.430   76.440   28.140   1.3569   29.221   1.3476 -1.081505 1.912346 
1 1 1  -26   22    7 o   13.259   1.8759  184.957   47.311  122.584   64.805  256.137   69.230   10.638   3.0055   15.881   2.2457 -5.243592 3.751853 
1 1 1  -26   22    8 o   34.774   0.7853  1192.87   52.744  1299.03   73.521  1080.29   75.711   36.400   1.0405   33.148   1.1766 3.252178 1.570690 
1 1 1  -26   22    9 o   10.163   2.1873  111.406   46.990  111.149   68.216  111.638   64.822   10.158   3.1407   10.168   3.0452 -0.1027012E-01 4.374620 
1 1 1  -26   22   10 o   6.0955   1.9089 -14.2503   45.290 -38.3029   67.630   5.3067   60.983   5.7842   2.6532   6.4068   2.7452 -0.6226254 3.817818 
1 1 1  -26   22   11 o   7.5632   2.0694   43.055   43.939   23.128   62.734   62.244   61.561   6.9516   2.8687   8.1748   2.9833 -1.223180 4.138768 
1 1 1  -26   22   12 o   6.6994   1.9798   14.370   44.260 -18.7988   67.938   38.829   58.339   6.1508   2.7559   7.2480   2.8433 -1.097170 3.959686 
1 1 1  -26   22   13 o   8.9460   1.9902   75.887   45.748  -4.8885   67.318  145.202   62.360   6.4010   2.8118   11.491   2.8173 -5.089933 3.980398 
1 1 1  -26   22   14 o   23.630   1.3693  576.653   56.548  542.151  103.886  591.179   67.409   22.880   2.3390   24.379   1.4244 -1.498507 2.738600 
1 1 1  -26   23    1 o   17.103   1.6777  314.010   51.275  350.889   65.811  257.039   81.795   18.716   1.8114   15.490   2.8244 3.226213 3.355359 
1 1 1  -26   23    2 o   10.507   2.2381  104.551   52.061   48.555   66.876  190.680   82.940   7.8918   3.0584   13.122   3.2684 -5.230265 4.476188 
1 1 1  -26   23    3 o   26.560   1.0817  695.530   55.024  674.668   71.710  725.398   85.804   26.120   1.4143   26.999   1.6372 -0.8794594 2.163443 
1 1 1  -26   23    4 o   19.636   1.3624  387.148   51.754  386.142   70.340  388.336   76.421   19.635   1.8454   19.637   2.0048 -0.1119614E-02 2.724884 
1 1 1  -26   23    5 o   16.969   1.4555  292.376   47.480  307.062   64.000  274.400   70.810   17.498   1.8841   16.440   2.2189 1.058737 2.910911 
1 1 1  -26   23    6 o   25.223   1.0552  633.278   51.392  694.101   71.865  569.618   73.522   26.500   1.3971   23.945   1.5817 2.554403 2.110355 
1 1 1  -26   23    7 o   9.9798   2.1522  105.722   47.246   68.210   67.598  141.546   66.060   8.5606   3.1258   11.399   2.9594 -2.838567 4.304496 
1 1 1  -26   23    8 o   25.130   1.0094  624.997   49.232  638.772   70.125  611.610   69.134   25.405   1.4220   24.855   1.4329 0.5497036 2.018703 
1 1 1  -26   23    9 o   17.210   1.4473  298.493   47.802  362.444   69.913  242.350   65.506   18.984   1.8971   15.436   2.1862 3.548618 2.894595 
1 1 1  -26   23   10 o   6.5640   1.8736 -36.3151   46.397   80.585   66.477 -147.3430   64.786   8.9406   3.1178   4.1874   2.0788 4.753202 3.747223 
1 1 1  -26   23   11 o   17.608   1.3370  312.415   45.642  319.363   66.478  306.219   62.776   17.780   1.9261   17.435   1.8548 0.3448982 2.673962 
1 1 1  -26   23   12 o   20.114   1.2018  407.495   46.705  369.160   66.715  444.340   65.406   19.145   1.7952   21.083   1.5981 -1.938833 2.403500 
1 1 1  -26   23   13 o   16.452   1.4391  277.140   45.722  251.027   65.504  301.951   63.850   15.645   2.1569   17.260   1.9057 -1.615538 2.878199 
1 1 1  -26   24    1 o   16.300   1.7202  271.560   54.199  240.756   73.517  308.236   80.218   15.276   2.4792   17.323   2.3855 -2.046842 3.440472 
1 1 1  -26   24    2 o   11.867   2.1968  153.232   50.588  142.934   65.856  168.055   79.012   11.437   2.9477   12.297   3.2579 -0.8597937 4.393505 
1 1 1  -26   24    3 o   32.102   0.8954  1003.07   54.892  948.122   70.704  1086.45   87.092   31.045   1.1732   33.160   1.3530 -2.114513 1.790854 
1 1 1  -26   24    4 o   25.134   1.0862  629.667   52.502  646.973   70.261  607.787   79.005   25.569   1.4156   24.699   1.6478 0.8704777 2.172383 
1 1 1  -26   24    5 o   14.850   1.8039  233.623   49.934  253.609   66.972  208.605   74.932   15.801   2.1835   13.899   2.8722 1.901670 3.607898 
1 1 1  -26   24    6 o   22.344   1.1734  495.027   50.555  475.882   67.185  520.016   76.757   21.875   1.5822   22.812   1.7333 -0.9371014 2.346867 
1 1 1  -26   24    7 o   8.3795   2.1896   53.505   49.038   14.155   65.243  104.600   74.346   6.8251   2.8785   9.9339   3.3003 -3.108812 4.379176 
1 1 1  -26   24    8 o   20.831   1.2673  435.552   51.055  442.179   69.621  427.842   75.094   21.034   1.7051   20.628   1.8753 0.4060535 2.534584 
1 1 1  -26   24    9 o   14.706   1.8186  228.705   50.257  238.891   67.730  216.226   74.968   15.274   2.2844   14.138   2.8304 1.135935 3.637247 
1 1 1  -26   24   10 o   5.8256   1.8224 -47.7697   45.838   33.257   64.211 -131.9700   65.456   7.2857   2.9410   4.3655   2.1529 2.920181 3.644800 
1 1 1  -26   24   11 f   7.0644   2.0660   24.708   46.155   27.417   66.217   22.148   64.369   7.1724   2.9520   6.9565   2.8911 0.2159066 4.131948 
1 1 1  -26   24   12 o   24.023   1.0179  574.272   47.456  561.340   67.188  587.146   67.037   23.745   1.4576   24.300   1.4212 -0.5547447 2.035784 
1 1 1  -26   25    1 o   16.885   1.6422  291.578   53.098  285.350   69.373  300.387   82.508   16.740   2.1349   17.029   2.4959 -0.2896442 3.284401 
1 1 1  -26   25    2 o   13.366   2.0599  201.132   52.905  249.431   70.278  137.962   80.372   15.595   2.3215   11.138   3.4033 4.457386 4.119702 
1 1 1  -26   25    3 o   13.776   2.0266  206.462   52.249  214.254   70.842  197.167   77.371   14.154   2.6764   13.399   3.0440 0.7554302 4.053290 
1 1 1  -26   25    4 o   32.847   0.8672  1069.23   54.586  1104.07   72.381  1023.28   83.122   33.515   1.1125   32.179   1.3307 1.336235 1.734492 
1 1 1  -26   25    5 o   26.074   1.0213  677.311   51.387  748.735   71.956  602.971   73.410   27.520   1.3470   24.629   1.5355 2.890892 2.042548 
1 1 1  -26   25    6 f   22.082   1.1801  488.088   50.370  502.981   68.859  470.947   73.873   22.478   1.5781   21.686   1.7549 0.7917309 2.360102 
1 1 1  -26   25    7 o   16.933   1.5239  290.158   49.904  272.870   67.151  311.485   74.583   16.389   2.1108   17.477   2.1984 -1.088215 3.047712 
1 1 1  -26   25    8 o   12.703   2.0602  172.324   49.896  130.931   66.104  227.139   76.069   10.905   3.0196   14.502   2.8037 -3.597057 4.120489 
1 1 1  -26   25    9 o   45.024   0.7424  1987.73   64.807  1914.85   88.966  2070.12   94.595   44.153   1.0380   45.895   1.0618 -1.742672 1.484869 
1 1 1  -26   25   10 o   15.672   1.6750  258.549   48.618  198.769   67.937  321.300   69.605   13.566   2.6748   17.778   2.0169 -4.211529 3.350014 
1 1 1  -26   25   11 o   26.785   0.9465  710.727   49.166  695.779   67.821  727.284   71.379   26.497   1.3186   27.074   1.3582 -0.5762501 1.892946 
1 1 1  -26   26    1 o   29.059   1.0552  834.023   58.153  810.887   74.243  870.752   93.542   28.613   1.3367   29.505   1.6332 -0.8920135 2.110466 
1 1 1  -26   26    2 f   9.3836   2.2593   91.897   52.018  125.329   67.311   42.327   81.964   10.652   3.0805   8.1151   3.3057 2.536863 4.518536 
1 1 1  -26   26    3 o   34.618   0.8902  1180.39   59.533  1154.59   79.965  1212.45   89.170   34.220   1.2038   35.016   1.3119 -0.7957726 1.780479 
1 1 1  -26   26    4 o   7.4691   2.1535   29.571   50.355   54.852   69.251   1.2068   73.352   8.1111   3.1209   6.8271   2.9683 1.283967 4.307098 
1 1 1  -26   26    5 o   12.363   1.9343  171.114   45.417  199.669   58.346  127.211   72.347   13.998   2.1472   10.728   3.2181 3.269586 3.868676 
1 1 1  -26   26    6 o   12.255   2.0584  164.951   48.016  167.165   64.164  162.132   72.386   12.418   2.7356   12.092   3.0764 0.3264275 4.116790 
1 1 1  -26   26    7 o   22.125   1.1712  489.997   50.251  511.757   70.786  467.890   71.347   22.638   1.6108   21.611   1.7007 1.026705 2.342449 
1 1 1  -26   26    8 o   22.728   1.1847  515.358   51.993  498.000   69.584  537.300   78.232   22.326   1.6056   23.131   1.7423 -0.8056068 2.369310 
1 1 1  -26   26    9 o   25.524   1.0206  648.124   50.533  655.967   70.435  639.805   72.539   25.696   1.4121   25.352   1.4740 0.3446522 2.041218 
1 1 1  -26   26   10 o   14.366   1.8085  218.797   49.159  192.547   68.406  246.833   70.693   13.296   2.7415   15.435   2.3594 -2.139326 3.616960 
1 1 1  -26   26   11 o   16.176   1.4847  269.908   46.165  299.470   63.800  237.418   66.884   17.185   1.9125   15.168   2.2715 2.016591 2.969472 
1 1 1  -26   27    1 o   15.928   1.9429  274.910   57.568  293.498   76.480  250.612   87.444   16.844   2.3391   15.013   3.1030 1.830391 3.885889 
1 1 1  -26   27    2 o   22.578   1.3153  520.290   56.867  558.921   76.472  472.497   85.057   23.612   1.6684   21.544   2.0339 2.068237 2.630659 
1 1 1  -26   27    3 o   9.9040   2.0002   95.632   51.614  195.681   69.580 -26.7741   76.963   13.417   2.7636   6.3913   2.8922 7.025390 4.000327 
1 1 1  -26   27    4 o   9.4216   2.1799   92.952   48.738  132.389   66.393   46.864   71.773   10.927   3.0263   7.9163   3.1383 3.010701 4.359725 
1 1 1  -26   27    5 o   10.739   2.1433  128.238   50.674  186.318   69.212   61.131   74.397   13.066   2.8122   8.4117   3.2353 4.653908 4.286670 
1 1 1  -26   27    6 o   29.866   0.9430  877.586   54.082  844.347   70.884  923.886   83.660   29.231   1.2492   30.501   1.4130 -1.270130 1.886013 
1 1 1  -26   27    7 o   12.283   2.1047  165.846   49.869  137.091   67.966  199.382   73.399   11.093   3.0578   13.474   2.8927 -2.380765 4.209315 
1 1 1  -26   27    8 o   27.350   0.9979  743.860   52.880  800.420   75.165  688.432   74.409   28.402   1.3633   26.299   1.4575 2.102724 1.995782 
1 1 1  -26   27    9 o   15.954   1.6803  271.967   49.430  304.548   66.200  230.914   74.309   17.309   1.9702   14.599   2.7223 2.710354 3.360504 
1 1 1  -26   28    1 o   12.655   2.2397  187.609   60.875   87.311   93.176  262.304   80.409   9.5219   3.6305   15.787   2.6238 -6.265464 4.479408 
1 1 1  -26   28    2 o   9.2464   2.3065   75.564   54.039   27.008   71.100  141.975   83.151   7.3200   3.0400   11.173   3.4696 -3.852814 4.613051 
1 1 1  -26   28    3 o   32.167   0.9277  1025.19   57.913  1022.21   80.961  1028.33   82.877   32.126   1.2982   32.208   1.3256 -0.8230591E-01 1.855396 
1 1 1  -26   28    4 o   17.956   1.4022  325.673   48.432  312.542   63.822  343.504   74.368   17.577   1.8705   18.335   2.0895 -0.7582035 2.804400 
1 1 1  -26   28    5 f   35.249   0.8624  1225.34   58.879  1195.73   80.237  1259.89   86.668   34.804   1.1876   35.693   1.2509 -0.8888855 1.724862 
1 1 1  -26   28    6 o   20.304   1.3212  416.293   51.927  375.522   71.943  460.635   75.027   19.242   1.9261   21.366   1.8090 -2.123610 2.642384 
1 1 1  -26   28    7 o   16.959   1.5089  293.760   49.471  285.190   66.639  304.281   73.837   16.717   2.0535   17.201   2.2114 -0.4834423 3.017835 
1 1 1  -26   28    8 o   30.567   0.9346  924.085   55.373  888.217   75.787  965.159   81.100   29.941   1.3039   31.193   1.3393 -1.252384 1.869259 
1 1 1  -25    0    1 o   12.334   2.9178  204.384   68.323  127.869  101.475  267.836   92.408   9.2750   4.6291   15.394   3.5532 -0.000000 0.000000 
1 1 1  -25    0    2 o   36.949   1.0898  1335.21   77.731  1380.98  113.886  1295.29  106.357   37.537   1.5692   36.361   1.5128 -0.000000 0.000000 
1 1 1  -25    0    3 o   7.4078   2.9386   70.172   64.327  101.890   96.467   44.776   86.321   8.3588   4.4278   6.4568   3.8646 -0.000000 0.000000 
1 1 1  -25    0    4 o   71.937   1.0543  5045.40  147.021  5241.92  211.012  4859.99  204.960   73.300   1.4844   70.573   1.4976 -0.000000 0.000000 
1 1 1  -25    0    5 o   31.189   1.1934  958.273   71.675  1001.80  100.737  913.644  102.003   31.927   1.6352   30.452   1.7385 -0.000000 0.000000 
1 1 1  -25    0    6 o   7.4114   2.8085   57.425   64.657  134.956   91.086 -21.3179   91.795   9.6268   4.4360   5.1961   3.4456 -0.000000 0.000000 
1 1 1  -25    0    7 o   5.9053   2.6210   18.059   62.958  -0.3720   87.696   37.661   90.441   5.4464   3.5242   6.3642   3.8806 -0.000000 0.000000 
1 1 1  -25    0    8 o   23.114   1.5251  532.727   66.797  493.368   89.793  581.495   99.951   22.149   2.1339   24.079   2.1795 -0.000000 0.000000 
1 1 1  -25    0    9 o   24.887   1.4851  619.441   70.547  631.781   99.337  606.885  100.206   25.154   2.0665   24.620   2.1336 -0.000000 0.000000 
1 1 1  -25    0   10 o   7.5317   2.8588   66.810   63.016   10.421   85.949  132.354   92.665   5.5991   3.5707   9.4642   4.4657 -0.000000 0.000000 
1 1 1  -25    0   11 o   23.322   1.5405  551.110   67.561  578.078   90.871  517.778  101.024   24.054   1.9769   22.589   2.3631 -0.000000 0.000000 
1 1 1  -25    0   12 o   24.998   1.4057  621.821   67.030  595.929   90.784  652.854   99.389   24.433   1.9423   25.562   2.0325 -0.000000 0.000000 
1 1 1  -25    0   13 o   7.6537   2.9039   67.624   65.671   4.7946   89.119  142.282   97.146   5.5488   3.5764   9.7585   4.5760 -0.000000 0.000000 
1 1 1  -25    0   14 o   7.5762   2.9889   81.928   65.676   89.347   89.871   73.425   96.214   7.7913   4.2273   7.3610   4.2264 -0.000000 0.000000 
1 1 1  -25    0   15 o   3.3822   2.4459 -158.2589   84.167 -158.2589   84.167   0.0000   0.0000   3.3822   2.4459   3.3822   2.4459 -0.000000 0.000000 
1 1 1  -25    0   16 o   7.9028   4.1696   93.925   85.291   93.925   85.291   0.0000   0.0000   7.9028   4.1696   7.9028   4.1696 -0.000000 0.000000 
1 1 1  -25    0   17 o   11.825   4.1735  185.938   87.041  185.938   87.041   0.0000   0.0000   11.825   4.1735   11.825   4.1735 -0.000000 0.000000 
1 1 1  -25    0   18 o   4.8417   3.2818 -39.2130   91.987 -39.2130   91.987   0.0000   0.0000   4.8417   3.2818   4.8417   3.2818 -0.000000 0.000000 
1 1 1  -25    0   19 o   23.177   2.2432  547.646   98.750  547.646   98.750   0.0000   0.0000   23.177   2.2432   23.177   2.2432 -0.000000 0.000000 
1 1 1  -25    0   20 o   6.6084   3.9956   51.729   94.166   51.729   94.166   0.0000   0.0000   6.6084   3.9956   6.6084   3.9956 -0.000000 0.000000 
1 1 1  -25    0   21 o   7.3530   4.2310   79.839   96.753   79.839   96.753   0.0000   0.0000   7.3530   4.2310   7.3530   4.2310 -0.000000 0.000000 
1 1 1  -25    1    1 o   60.789   0.7051  3600.41   83.204  3612.87  118.144  3588.16  117.198   60.893   0.9995   60.686   0.9949 0.2075272 1.410228 
1 1 1  -25    1    2 o   20.410   1.1970  408.503   47.414  422.066   67.683  395.434   66.441   20.744   1.6808   20.076   1.7049 0.6681538 2.394079 
1 1 1  -25    1    3 o   20.108   1.2354  397.975   47.887  341.757   67.240  455.837   68.216   18.648   1.8575   21.568   1.6294 -2.919477 2.470846 
1 1 1  -25    1    4 o   32.112   0.8460  1004.86   52.613  912.160   73.112  1104.42   75.770   30.573   1.2319   33.651   1.1599 -3.078405 1.692064 
1 1 1  -25    1    5 f   31.629   0.8343  975.795   51.223  963.059   72.204  988.699   72.677   31.421   1.1838   31.837   1.1760 -0.4165783 1.668625 
1 1 1  -25    1    6 o   43.828   0.6944  1870.59   59.055  1801.49   82.915  1941.73   84.132   43.005   0.9932   44.651   0.9707 -1.646080 1.388771 
1 1 1  -25    1    7 o   40.238   0.7365  1578.32   57.509  1620.83   81.154  1535.43   81.506   40.785   1.0251   39.691   1.0579 1.094086 1.473040 
1 1 1  -25    1    8 o   32.243   0.8201  1015.89   51.229  1087.17   72.324  944.110   72.575   33.387   1.1159   31.100   1.2021 2.286301 1.640269 
1 1 1  -25    1    9 o   29.432   0.8586  845.930   49.051  860.214   69.616  831.847   69.124   29.680   1.2083   29.184   1.2202 0.4952126 1.717212 
1 1 1  -25    1   10 o   11.746   1.9925  144.758   45.940   97.295   64.875  192.499   65.064   9.8108   3.0677   13.681   2.5435 -3.870399 3.984982 
1 1 1  -25    1   11 o   28.914   0.8898  817.735   49.928  818.858   69.831  816.561   71.414   28.936   1.2432   28.891   1.2734 0.4595947E-01 1.779618 
1 1 1  -25    1   12 o   42.450   0.7065  1757.64   58.201  1738.11   81.074  1778.41   83.601   42.209   0.9895   42.691   1.0088 -0.4821663 1.413088 
1 1 1  -25    1   13 o   19.328   1.2682  375.277   46.721  440.912   64.729  303.893   67.504   21.162   1.5757   17.495   1.9877 3.666515 2.536488 
1 1 1  -25    1   14 o   34.582   0.7901  1170.00   53.027  1141.13   75.067  1198.76   74.916   34.153   1.1323   35.012   1.1023 -0.8590279 1.580225 
1 1 1  -25    1   15 o   43.192   0.9724  1829.76   81.474  1915.55  117.705  1750.85  112.888   44.163   1.3730   42.220   1.3774 1.942867 1.944826 
1 1 1  -25    1   16 o   11.003   2.4444  125.113   61.494   67.347   88.818  178.299   85.225   9.1857   3.5345   12.820   3.3775 -3.634272 4.888734 
1 1 1  -25    1   17 o   11.308   2.5103  135.713   64.897  189.370   88.859   74.378   95.005   13.133   3.4433   9.4835   3.6537 3.649987 5.020519 
1 1 1  -25    1   18 o   21.040   1.6772  450.471   68.487  455.657   96.402  445.187   97.314   21.173   2.3456   20.907   2.3979 0.2659264 3.354312 
1 1 1  -25    1   19 o   16.431   2.2035  294.008   67.851  395.447   97.349  198.175   94.620   19.592   2.5597   13.269   3.5875 6.322935 4.407065 
1 1 1  -25    1   20 o   26.090   1.4403  691.295   72.631  759.529  102.504  622.494  102.929   27.445   1.9240   24.735   2.1437 2.710461 2.880507 
1 1 1  -25    1   21 o   15.100   2.4845  263.270   72.364  326.770  102.918  201.183  101.766   17.125   3.2140   13.075   3.7897 4.050397 4.969038 
1 1 1  -25    2    1 o   12.128   2.0589  153.411   48.002  135.459   68.207  171.029   67.569   11.409   3.0291   12.847   2.7894 -1.438201 4.117789 
1 1 1  -25    2    2 o   19.783   1.2375  383.744   47.494  366.195   65.935  402.667   68.470   19.313   1.7588   20.254   1.7415 -0.9411793 2.475098 
1 1 1  -25    2    3 o   19.179   1.2331  360.615   45.860  384.305   65.892  338.359   63.867   19.793   1.7150   18.565   1.7722 1.227514 2.466166 
1 1 1  -25    2    4 o   37.685   0.7524  1384.23   54.939  1496.04   78.404  1276.37   77.006   39.185   1.0307   36.185   1.0963 3.000130 1.504754 
1 1 1  -25    2    5 f   29.159   0.8947  830.188   50.629  807.256   71.620  853.096   71.581   28.754   1.2831   29.564   1.2473 -0.8099327 1.789458 
1 1 1  -25    2    6 o   44.625   0.7020  1940.59   60.782  1996.71   85.661  1883.69   86.258   45.278   0.9746   43.972   1.0106 1.305862 1.403956 
1 1 1  -25    2    7 o   56.799   0.6859  3141.79   75.617  3211.65  107.669  3073.79  106.222   57.423   0.9659   56.175   0.9741 1.247604 1.371819 
1 1 1  -25    2    8 o   51.033   0.6952  2534.30   68.821  2406.00   95.605  2672.29   99.147   49.692   0.9911   52.373   0.9752 -2.680992 1.390460 
1 1 1  -25    2    9 o   54.840   0.6887  2928.48   73.281  3012.23  105.422  2850.18  101.937   55.597   0.9768   54.082   0.9710 1.514893 1.377306 
1 1 1  -25    2   10 o   52.569   0.6759  2693.33   68.964  2753.52   97.894  2634.02   97.169   53.154   0.9488   51.985   0.9629 1.169365 1.351796 
1 1 1  -25    2   11 o   31.025   0.8584  940.229   51.676  909.981   71.845  972.652   74.383   30.509   1.2131   31.542   1.2148 -1.032789 1.716832 
1 1 1  -25    2   12 o   9.2468   2.1436   84.491   44.333   81.080   60.625   88.410   64.995   9.0650   2.9787   9.4286   3.0835 -0.3636265 4.287256 
1 1 1  -25    2   13 o   14.316   1.7461  211.155   46.893  231.845   64.108  187.345   68.771   15.248   2.1658   13.383   2.7394 1.865217 3.492173 
1 1 1  -25    2   14 o   28.659   0.8966  805.606   49.835  844.630   70.497  766.625   70.458   29.360   1.2369   27.958   1.2982 1.402000 1.793173 
1 1 1  -25    2   15 o   15.862   2.1309  261.569   64.173  228.537   88.681  297.881   92.979   14.623   3.2119   17.100   2.8011 -2.476347 4.261748 
1 1 1  -25    2   16 o   37.294   1.0472  1370.19   75.761  1358.92  105.081  1382.38  109.331   37.143   1.4574   37.444   1.5041 -0.3014526 2.094400 
1 1 1  -25    2   17 o   26.647   1.3561  716.577   69.220  828.103   96.524  598.496   99.320   28.877   1.7219   24.417   2.0955 4.460188 2.712221 
1 1 1  -25    2   18 f   19.526   1.7574  389.902   66.572  402.540   93.844  377.100   94.452   19.865   2.4336   19.187   2.5359 0.6778641 3.514715 
1 1 1  -25    2   19 o   17.761   1.9907  338.514   65.004  252.254   92.478  422.756   91.390   15.156   3.2413   20.365   2.3118 -5.208499 3.981301 
1 1 1  -25    2   20 o   19.951   1.7191  411.949   66.231  370.843   94.466  451.690   92.885   18.897   2.5752   21.005   2.2780 -2.108294 3.438160 
1 1 1  -25    2   21 o   9.7865   2.5993   92.718   68.508   55.979   98.582  127.032   95.272   8.8565   3.6185   10.716   3.7327 -1.859820 5.198701 
1 1 1  -25    3    1 o   17.184   1.4343  292.655   47.567  259.955   67.851  324.257   66.702   16.218   2.1552   18.150   1.8932 -1.932356 2.868656 
1 1 1  -25    3    2 o   6.5766   1.9946  -4.8921   46.254 -27.3334   64.672   18.608   66.180   5.9814   2.6838   7.1718   2.9515 -1.190370 3.989213 
1 1 1  -25    3    3 o   30.228   0.8617  891.894   50.551  907.576   71.199  875.955   71.784   30.498   1.2027   29.958   1.2344 0.5402393 1.723394 
1 1 1  -25    3    4 o   26.432   0.9502  682.618   48.735  657.123   68.680  708.475   69.166   25.932   1.3644   26.932   1.3230 -0.9996147 1.900479 
1 1 1  -25    3    5 o   42.514   0.7126  1761.17   58.791  1778.63   82.398  1743.06   83.908   42.731   0.9934   42.297   1.0219 0.4338875 1.425171 
1 1 1  -25    3    6 o   18.229   1.3565  327.839   47.543  272.652   66.380  385.966   68.125   16.631   2.0562   19.827   1.7701 -3.195925 2.713089 
1 1 1  -25    3    7 o   8.4307   2.1448   61.017   44.885   69.354   63.911   52.902   63.053   8.7400   3.0565   8.1214   3.0099 0.6185932 4.289696 
1 1 1  -25    3    8 o   38.992   0.7376  1481.85   55.821  1516.11   79.456  1448.46   78.440   39.438   1.0379   38.547   1.0483 0.8915901 1.475170 
1 1 1  -25    3    9 o   42.247   0.7105  1740.65   58.235  1694.50   82.866  1785.68   81.856   41.690   1.0239   42.804   0.9851 -1.114048 1.420906 
1 1 1  -25    3   10 o   23.091   1.0778  527.597   47.767  441.783   68.042  610.985   67.074   21.202   1.6533   24.980   1.3832 -3.778339 2.155611 
1 1 1  -25    3   11 o   22.457   1.0757  495.160   46.885  488.275   66.553  501.944   66.061   22.299   1.5375   22.614   1.5049 -0.3154678 2.151411 
1 1 1  -25    3   12 o   11.470   2.0282  139.241   45.773  172.295   63.945  104.507   65.550   12.868   2.6482   10.073   3.0726 2.795691 4.056351 
1 1 1  -25    3   13 f   8.2656   2.1495   56.950   45.903   38.529   65.460   74.771   64.386   7.6595   3.0095   8.8718   3.0698 -1.212323 4.298906 
1 1 1  -25    3   14 o   25.831   0.9834  656.660   49.212  624.293   70.577  687.286   68.654   25.199   1.4429   26.463   1.3364 -1.264874 1.966711 
1 1 1  -25    3   15 o   28.539   1.0386  792.464   55.253  833.055   93.029  770.342   68.679   29.047   1.6499   28.031   1.2622 1.015871 2.077292 
1 1 1  -25    3   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -25    3   17 o   13.577   2.3538  201.805   62.795  259.498   89.469  145.794   88.156   15.561   3.0709   11.593   3.5680 3.967728 4.707531 
1 1 1  -25    3   18 o   28.468   1.2461  806.243   68.769  834.813  100.463  781.053   94.333   28.930   1.7889   28.006   1.7352 0.9247589 2.492205 
1 1 1  -25    3   19 o   19.238   1.9083  383.920   71.190  362.158  100.019  406.265  101.351   18.657   2.7617   19.820   2.6342 -1.163609 3.816604 
1 1 1  -25    3   20 o   8.9719   2.2922   9.9073   67.449  175.886   95.914 -152.4753   94.869   12.401   3.7020   5.5425   2.7038 6.858833 4.584307 
1 1 1  -25    3   21 o   12.159   2.6249  171.179   69.334  126.532   98.260  215.454   97.848   10.719   3.7866   13.599   3.6362 -2.880040 5.249793 
1 1 1  -25    4    1 o   28.337   0.8965  782.943   49.267  741.779   68.101  828.142   71.362   27.556   1.2731   29.118   1.2625 -1.561537 1.792987 
1 1 1  -25    4    2 f   29.905   0.8914  873.406   51.714  833.812   72.814  913.706   73.460   29.218   1.2838   30.593   1.2370 -1.374657 1.782774 
1 1 1  -25    4    3 o   11.579   2.0631  139.089   46.328  146.295   67.080  132.518   64.060   11.861   2.9305   11.297   2.9049 0.5633430 4.126287 
1 1 1  -25    4    4 o   27.450   0.9416  736.332   50.142  703.078   70.732  769.926   71.093   26.823   1.3584   28.077   1.3044 -1.253611 1.883294 
1 1 1  -25    4    5 o   42.666   0.7037  1773.30   58.264  1837.82   82.764  1709.90   82.037   43.438   0.9815   41.894   1.0088 1.543266 1.407490 
1 1 1  -25    4    6 o   65.053   0.7057  4120.42   89.070  4055.01  123.655  4190.96  128.409   64.519   0.9873   65.586   1.0086 -1.067398 1.411402 
1 1 1  -25    4    7 o   66.948   0.7159  4367.32   93.035  4379.32  131.997  4355.47  131.150   67.039   1.0143   66.857   1.0106 0.1818237 1.431799 
1 1 1  -25    4    8 o   32.613   0.8005  1034.08   50.577  953.218   69.384  1125.77   73.882   31.256   1.1436   33.971   1.1204 -2.715008 1.600926 
1 1 1  -25    4    9 o   12.811   1.8871  170.024   45.367  166.465   65.644  173.278   62.769   12.661   2.7497   12.962   2.5853 -0.3009081 3.774224 
1 1 1  -25    4   10 o   41.958   0.6967  1715.26   56.706  1745.75   82.019  1687.33   78.486   42.312   0.9986   41.603   0.9719 0.7088623 1.393436 
1 1 1  -25    4   11 o   35.564   0.7763  1238.46   53.438  1154.47   76.586  1318.15   74.600   34.375   1.1477   36.752   1.0457 -2.376610 1.552636 
1 1 1  -25    4   12 o   10.748   2.0603  121.105   44.821   92.249   63.638  149.510   63.140   9.5563   3.0448   11.940   2.7766 -2.383945 4.120690 
1 1 1  -25    4   13 o   22.304   1.1016  490.124   47.466  553.409   67.991  429.957   66.295   23.726   1.4763   20.882   1.6355 2.843315 2.203203 
1 1 1  -25    4   14 o   34.630   0.8086  1173.55   54.353  1159.61   77.029  1187.36   76.707   34.423   1.1528   34.837   1.1343 -0.4139786 1.617259 
1 1 1  -25    4   15 o   7.5939   2.1823   30.238   50.165 -40.7142   97.310   55.919   58.544   7.1865   3.2521   8.0014   2.9109 -0.8148646 4.364574 
1 1 1  -25    4   16 o   22.723   1.5184  516.416   66.690  529.823   99.483  505.473   89.875   22.961   2.2320   22.485   2.0591 0.4765377 3.036752 
1 1 1  -25    4   17 o   32.017   1.1717  1016.72   72.454  1014.85  107.907  1018.26   97.771   31.955   1.7396   32.079   1.5701 -0.1231976 2.343354 
1 1 1  -25    4   18 o   11.626   2.5457  144.628   66.607   84.173   94.022  205.535   94.373   9.6724   3.6568   13.580   3.5428 -3.907658 5.091496 
1 1 1  -25    4   19 o   15.190   2.3905  257.309   69.023  305.010   97.507  209.400   97.718   16.770   3.1098   13.610   3.6314 3.159534 4.781015 
1 1 1  -25    4   20 o   8.5960   2.4581   30.848   67.655  107.843   99.072 -36.4310   92.610   10.288   3.7800   6.9044   3.1433 3.383255 4.916159 
1 1 1  -25    4   21 o   20.961   1.7974  459.460   73.108  472.799  105.134  446.971  101.731   21.251   2.5486   20.670   2.5354 0.5807972 3.594890 
1 1 1  -25    5    1 o   11.401   2.0419  134.749   46.303   93.986   64.728  177.466   66.262   9.6971   3.0687   13.105   2.6946 -3.408402 4.083900 
1 1 1  -25    5    2 o   52.622   0.6869  2696.62   70.153  2753.74  100.297  2641.91   98.161   53.168   0.9718   52.077   0.9710 1.090660 1.373781 
1 1 1  -25    5    3 o   24.997   1.0086  611.373   48.863  568.029   68.677  655.810   69.536   24.094   1.4684   25.900   1.3831 -1.806633 2.017182 
1 1 1  -25    5    4 o   24.968   1.0169  610.060   49.215  568.761   69.270  652.159   69.937   24.109   1.4801   25.828   1.3949 -1.718851 2.033882 
1 1 1  -25    5    5 f   35.272   0.7809  1212.58   53.447  1229.86   76.752  1196.31   74.471   35.514   1.1133   35.029   1.0952 0.4852333 1.561705 
1 1 1  -25    5    6 o   21.809   1.1302  466.097   47.844  470.899   67.947  461.376   67.379   21.921   1.5968   21.697   1.5998 0.2231770 2.260317 
1 1 1  -25    5    7 o   27.835   0.9113  757.206   49.217  773.736   69.141  740.227   70.075   28.146   1.2655   27.523   1.3116 0.6226006 1.822544 
1 1 1  -25    5    8 o   52.095   0.6856  2643.55   69.319  2730.23   98.869  2559.76   97.215   52.936   0.9621   51.254   0.9771 1.682308 1.371293 
1 1 1  -25    5    9 o   17.825   1.3018  312.901   45.031  308.991   62.756  317.051   64.653   17.713   1.8251   17.938   1.8567 -0.2249870 2.603576 
1 1 1  -25    5   10 o   21.418   1.1687  459.549   47.599  369.220   69.196  540.684   65.581   19.349   1.8423   23.487   1.4384 -4.138353 2.337311 
1 1 1  -25    5   11 o   17.792   1.4076  319.604   46.304  441.591   66.760  206.516   64.279   21.189   1.6231   14.395   2.3003 6.793976 2.815237 
1 1 1  -25    5   12 o   20.062   1.1628  396.396   45.281  399.404   64.179  393.414   63.897   20.138   1.6418   19.985   1.6470 0.1524868 2.325554 
1 1 1  -25    5   13 o   8.8839   2.1421   74.164   44.801   96.730   65.268   54.059   61.606   9.7293   3.0818   8.0385   2.9760 1.690841 4.284116 
1 1 1  -25    5   14 o   7.5351   2.0629   27.812   46.041   76.939   66.339 -17.8384   63.950   8.9794   3.1155   6.0908   2.7050 2.888580 4.125900 
1 1 1  -25    5   15 o   45.817   0.8422  2080.55   69.147  1991.12  123.082  2121.80   83.584   45.007   1.4088   46.628   0.9235 -1.621410 1.684498 
1 1 1  -25    5   16 f   43.434   0.9931  1861.96   83.384  1669.38  117.955  2054.33  117.891   41.151   1.4766   45.717   1.3284 -4.566010 1.986230 
1 1 1  -25    5   17 o   21.977   1.5996  488.093   68.211  470.939   96.412  505.286   96.519   21.575   2.3020   22.380   2.2218 -0.8040981 3.199286 
1 1 1  -25    5   18 o   30.447   1.2383  925.017   73.089  883.366  104.227  965.314  102.520   29.747   1.8050   31.147   1.6956 -1.400011 2.476517 
1 1 1  -25    5   19 o   20.868   1.6846  442.632   68.001  494.103  100.810  399.659   92.114   21.982   2.3625   19.753   2.4023 2.229250 3.369292 
1 1 1  -25    5   20 o   10.980   2.3048  119.071   63.685  -1.6401   91.156  234.167   89.011   7.4620   3.2751   14.499   3.2438 -7.036606 4.609553 
1 1 1  -25    5   21 o   38.291   1.1324  1471.01   83.882  1413.47  122.188  1522.30  115.361   37.525   1.6774   39.057   1.5216 -1.532436 2.264708 
1 1 1  -25    6    1 o   28.367   0.9234  786.864   50.648  880.866   72.567  697.576   70.724   30.029   1.2449   26.705   1.3643 3.323414 1.846889 
1 1 1  -25    6    2 o   18.110   1.3630  323.771   47.648  282.643   66.920  366.061   67.858   16.926   2.0367   19.295   1.8117 -2.369141 2.725922 
1 1 1  -25    6    3 o   24.633   1.0241  593.778   48.961  604.317   69.107  583.157   69.377   24.854   1.4324   24.411   1.4641 0.4433060 2.048237 
1 1 1  -25    6    4 o   33.294   0.8039  1083.53   51.840  1023.07   74.299  1140.90   72.364   32.380   1.1821   34.208   1.0898 -1.827473 1.607743 
1 1 1  -25    6    5 o   74.682   0.7611  5436.39  110.318  5495.77  157.539  5379.26  154.531   75.081   1.0809   74.284   1.0717 0.7973404 1.522118 
1 1 1  -25    6    6 o   25.467   0.9988  635.541   49.233  616.107   71.724  652.857   67.703   25.089   1.4727   25.844   1.3495 -0.7547550 1.997509 
1 1 1  -25    6    7 o   25.213   1.0050  621.601   49.164  634.963   70.875  609.209   68.255   25.473   1.4334   24.954   1.4090 0.5184956 2.009951 
1 1 1  -25    6    8 o   36.124   0.7626  1273.36   53.440  1220.48   75.600  1326.17   75.551   35.370   1.1011   36.878   1.0554 -1.507305 1.525186 
1 1 1  -25    6    9 o   29.960   0.8685  876.282   50.481  839.958   70.253  915.060   72.587   29.318   1.2344   30.602   1.2219 -1.284710 1.736921 
1 1 1  -25    6   10 o   13.288   1.8559  187.504   46.476  114.427   66.857  255.837   64.651   10.507   3.0793   16.070   2.0725 -5.563200 3.711754 
1 1 1  -25    6   11 o   26.445   0.9334  682.176   47.770  761.062   69.779  612.592   65.535   27.884   1.2892   25.006   1.3501 2.877445 1.866730 
1 1 1  -25    6   12 f   6.9404   2.0349   15.759   45.086   25.739   63.997   5.9254   63.528   7.2252   2.9293   6.6555   2.8254 0.5697126 4.069847 
1 1 1  -25    6   13 o   39.684   0.7397  1537.81   56.958  1568.84   81.981  1508.87   79.191   40.069   1.0540   39.300   1.0381 0.7693710 1.479354 
1 1 1  -25    6   14 o   47.401   0.7023  2194.23   64.616  2189.94   92.061  2198.40   90.715   47.353   1.0015   47.449   0.9849 -0.9616852E-01 1.404664 
1 1 1  -25    6   15 o   29.912   1.0334  857.679   54.879  937.267  102.509  825.703   64.975   30.782   1.7156   29.042   1.1525 1.739803 2.066759 
1 1 1  -25    6   16 o   27.145   1.2972  728.403   68.130  787.069  101.483  680.268   91.925   28.125   1.8588   26.164   1.8099 1.961098 2.594415 
1 1 1  -25    6   17 o   8.5837   2.4750   42.752   65.138   34.545   93.893   50.367   90.443   8.4462   3.4994   8.7211   3.5010 -0.2749186 4.950029 
1 1 1  -25    6   18 o   20.345   1.7252  424.618   67.794  397.356   98.610  449.053   93.357   19.662   2.5837   21.029   2.2870 -1.367132 3.450452 
1 1 1  -25    6   19 f   28.997   1.2620  844.766   70.265  815.055  106.346  867.784   93.607   28.473   1.9241   29.522   1.6334 -1.049644 2.523927 
1 1 1  -25    6   20 o   9.8132   2.6259   89.223   69.527  122.369  100.147   58.382   96.602   10.698   3.8181   8.9283   3.6062 1.769869 5.251887 
1 1 1  -25    6   21 o   23.749   1.6092  579.094   73.968  621.222  109.884  544.188  100.022   24.514   2.3091   22.984   2.2418 1.529844 3.218363 
1 1 1  -25    7    1 o   24.992   1.0046  613.483   48.574  648.151   67.329  575.856   70.145   25.742   1.3474   24.243   1.4905 1.498947 2.009276 
1 1 1  -25    7    2 o   36.374   0.7633  1290.25   53.896  1290.97   76.327  1289.54   76.114   36.384   1.0807   36.364   1.0783 0.1980209E-01 1.526624 
1 1 1  -25    7    3 o   31.414   0.8396  964.339   51.134  921.243   72.952  1005.96   71.692   30.718   1.2234   32.110   1.1502 -1.392296 1.679213 
1 1 1  -25    7    4 o   41.546   0.7130  1682.51   57.484  1717.04   80.856  1647.21   81.740   41.980   0.9922   41.112   1.0242 0.8676376 1.426027 
1 1 1  -25    7    5 o   15.204   1.6524  236.430   46.464  183.852   66.571  286.373   64.881   13.359   2.6606   17.049   1.9604 -3.690190 3.304847 
1 1 1  -25    7    6 o   20.678   1.1880  418.714   47.544  465.889   68.899  375.832   65.690   21.794   1.6286   19.562   1.7299 2.232546 2.375899 
1 1 1  -25    7    7 o   27.884   0.9194  759.926   49.755  779.304   70.535  740.735   70.195   28.240   1.2867   27.528   1.3136 0.7116241 1.838799 
1 1 1  -25    7    8 o   60.290   0.7026  3542.99   82.224  3552.04  117.171  3534.22  115.414   60.364   0.9999   60.216   0.9874 0.1483727 1.405273 
1 1 1  -25    7    9 o   15.209   1.6499  233.636   46.888  187.090   64.978  284.204   67.727   13.471   2.5788   16.947   2.0588 -3.476010 3.299789 
1 1 1  -25    7   10 o   35.705   0.7715  1244.46   53.466  1216.57   75.255  1272.89   75.974   35.299   1.0982   36.110   1.0839 -0.8106461 1.543012 
1 1 1  -25    7   11 o   22.611   1.0988  501.411   48.172  536.310   69.831  469.727   66.538   23.362   1.5398   21.859   1.5681 1.503244 2.197693 
1 1 1  -25    7   12 o   22.018   1.0701  477.447   45.646  446.339   64.904  507.891   64.207   21.296   1.5700   22.739   1.4546 -1.443213 2.140268 
1 1 1  -25    7   13 o   16.935   1.3977  284.630   45.912  295.849   66.530  274.429   63.439   17.251   1.9867   16.619   1.9665 0.6322231 2.795402 
1 1 1  -25    7   14 o   11.495   2.0823  139.961   46.752  127.640   65.415  152.826   66.843   10.979   2.9890   12.010   2.8999 -1.030832 4.164585 
1 1 1  -25    7   15 o   20.361   1.4598  436.087   51.020  362.506   93.299  467.478   60.939   18.926   2.5395   21.797   1.4402 -2.871294 2.919508 
1 1 1  -25    7   16 o   8.2236   2.3881   33.164   60.903   45.239   90.732   23.261   82.164   8.6377   3.4928   7.8095   3.2577 0.8282237 4.776208 
1 1 1  -25    7   17 o   13.048   2.5167  188.611   66.349  225.355   93.754  151.745   93.909   14.311   3.4213   11.785   3.6918 2.526249 5.033313 
1 1 1  -25    7   18 o   15.131   2.3156  249.036   68.026  331.448   97.857  171.970   94.630   17.855   2.8233   12.407   3.6711 5.448009 4.631233 
1 1 1  -25    7   19 o   19.256   1.7108  383.225   62.671  473.720   89.598  296.535   87.694   21.615   2.1354   16.897   2.6735 4.717392 3.421657 
1 1 1  -25    7   20 o   15.063   2.4149  257.099   69.084  232.493   98.904  280.541   96.539   14.240   3.5814   15.885   3.2405 -1.644849 4.829774 
1 1 1  -25    7   21 o   30.244   1.3445  928.949   78.731  892.282  113.970  962.419  108.888   29.617   1.9824   30.872   1.8170 -1.255447 2.689099 
1 1 1  -25    8    1 o   32.138   0.8166  1009.35   50.893  1040.65   71.183  976.633   72.792   32.653   1.1230   31.623   1.1858 1.030310 1.633170 
1 1 1  -25    8    2 o   61.945   0.7062  3738.90   84.876  3705.47  118.076  3774.64  122.091   61.662   0.9865   62.228   1.0107 -0.5665741 1.412322 
1 1 1  -25    8    3 o   54.336   0.6903  2877.14   72.797  2912.70  102.491  2840.93  103.418   54.677   0.9656   53.995   0.9867 0.6823158 1.380583 
1 1 1  -25    8    4 o   11.168   2.0882  129.745   45.955  129.754   65.554  129.736   64.441   11.168   2.9717   11.167   2.9344 0.7648468E-03 4.176319 
1 1 1  -25    8    5 o   26.301   0.9516  676.452   48.553  646.291   68.432  707.027   68.900   25.707   1.3713   26.896   1.3197 -1.188303 1.903182 
1 1 1  -25    8    6 o   18.454   1.2973  338.261   45.837  275.935   65.019  399.845   64.631   16.724   2.0028   20.184   1.6495 -3.460459 2.594625 
1 1 1  -25    8    7 o   38.662   0.7427  1458.20   55.702  1438.97   79.927  1476.35   77.669   38.411   1.0720   38.914   1.0282 -0.5032425 1.485365 
1 1 1  -25    8    8 o   22.831   1.1069  513.431   48.783  453.327   69.156  572.963   68.826   21.480   1.6585   24.181   1.4663 -2.700680 2.213746 
1 1 1  -25    8    9 o   76.383   0.7711  5694.55  114.328  5655.15  161.285  5734.35  162.087   76.117   1.0916   76.649   1.0894 -0.5320663 1.542149 
1 1 1  -25    8   10 o   43.963   0.7031  1882.54   59.929  1836.31   82.317  1934.68   87.418   43.393   0.9772   44.533   1.0112 -1.139629 1.406283 
1 1 1  -25    8   11 o   15.800   1.4675  247.775   44.994  256.429   64.200  239.421   63.076   16.074   2.0576   15.526   2.0929 0.5481663 2.934958 
1 1 1  -25    8   12 o   24.674   0.9662  596.417   46.242  567.569   64.039  627.847   66.843   24.051   1.3717   25.298   1.3611 -1.247011 1.932396 
1 1 1  -25    8   13 o   35.347   0.7606  1221.07   52.158  1229.43   75.112  1213.29   72.484   35.460   1.0912   35.234   1.0598 0.2262421 1.521152 
1 1 1  -25    8   14 o   41.055   0.7312  1650.77   58.133  1750.82   81.312  1546.16   83.144   42.342   0.9893   39.768   1.0770 2.574142 1.462412 
1 1 1  -25    8   15 o   14.399   1.9690  226.723   48.867  187.468   88.570  243.901   58.591   13.142   3.4339   15.657   1.9278 -2.514570 3.938055 
1 1 1  -25    8   16 o   21.790   1.5659  481.780   64.517  458.917  102.049  497.003   83.270   21.260   2.4727   22.320   1.9219 -1.060036 3.131742 
1 1 1  -25    8   17 o   18.811   1.9426  373.238   66.759  265.525   93.077  487.362   95.806   15.671   3.1687   21.952   2.2483 -6.281909 3.885278 
1 1 1  -25    8   18 o   7.5231   2.3379 -15.0913   67.435 -59.3438   95.258   29.365   95.477   6.7150   3.1049   8.3312   3.4962 -1.616167 4.675829 
1 1 1  -25    8   19 o   9.3008   2.3102   17.079   67.883  191.952   98.820 -139.1750   93.411   12.974   3.7269   5.6273   2.7311 7.346876 4.620415 
1 1 1  -25    8   20 o   8.8323   2.4812   45.108   69.258 -36.0289  101.215  116.545   94.973   7.2149   3.2852   10.450   3.7193 -3.234838 4.962458 
1 1 1  -25    8   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -25    9    1 o   16.224   1.4798  259.588   46.474  233.995   63.767  288.585   67.875   15.368   2.1375   17.081   2.0471 -1.713166 2.959662 
1 1 1  -25    9    2 o   37.470   0.7754  1367.93   56.311  1479.00   81.180  1264.94   78.175   38.938   1.0740   36.003   1.1186 2.935604 1.550720 
1 1 1  -25    9    3 o   37.284   0.7810  1357.05   56.489  1387.14   79.030  1325.62   80.773   37.712   1.0796   36.857   1.1290 0.8542252 1.562058 
1 1 1  -25    9    4 o   7.6808   2.1465   35.434   47.357   31.512   68.324   39.059   65.698   7.6176   3.0482   7.7439   3.0230 -0.1262784 4.293012 
1 1 1  -25    9    5 o   32.158   0.8359  1009.83   52.166  996.396   74.400  1022.82   73.162   31.944   1.1998   32.371   1.1643 -0.4264660 1.671877 
1 1 1  -25    9    6 o   12.263   1.9538  152.309   47.429  218.637   69.402   94.187   64.967   14.826   2.4114   9.7003   3.0749 5.126079 3.907666 
1 1 1  -25    9    7 o   35.104   0.7854  1202.60   53.512  1219.17   75.647  1185.99   75.707   35.347   1.1025   34.860   1.1188 0.4870949 1.570711 
1 1 1  -25    9    8 o   9.1547   2.1458   79.905   45.798   50.065   66.012  107.598   63.593   8.0942   3.0631   10.215   3.0058 -2.120947 4.291545 
1 1 1  -25    9    9 o   38.478   0.7567  1444.07   56.485  1471.58   81.517  1418.66   78.341   38.828   1.0815   38.128   1.0585 0.6999550 1.513302 
1 1 1  -25    9   10 o   26.881   0.9147  707.245   47.688  669.403   66.930  746.265   67.964   26.146   1.3187   27.615   1.2678 -1.469475 1.829326 
1 1 1  -25    9   11 o   31.493   0.8209  968.643   50.153  1011.18   72.301  929.197   69.628   32.159   1.1582   30.827   1.1635 1.332220 1.641700 
1 1 1  -25    9   12 o   27.172   0.9132  723.250   48.145  709.613   66.840  737.954   69.406   26.908   1.2796   27.436   1.3032 -0.5271626 1.826420 
1 1 1  -25    9   13 o   16.441   1.4729  271.558   46.604  244.532   68.041  295.440   63.962   15.629   2.2427   17.252   1.9100 -1.622271 2.945766 
1 1 1  -25    9   14 o   15.640   1.5628  245.275   47.332  230.925   67.792  258.923   66.114   15.173   2.3017   16.107   2.1145 -0.9342594 3.125511 
1 1 1  -25    9   15 o   18.776   1.5318  353.166   50.000  353.356   94.434  353.092   58.940   18.647   2.6089   18.906   1.6060 -0.2587032 3.063606 
1 1 1  -25    9   16 o   15.566   2.0379  248.845   59.907  296.342   92.300  214.272   78.747   16.969   2.8021   14.162   2.9598 2.807163 4.075787 
1 1 1  -25    9   17 o   12.090   2.5283  161.088   64.920  120.413   93.108  199.571   90.566   10.748   3.6930   13.432   3.4540 -2.684745 5.056549 
1 1 1  -25    9   18 o   30.717   1.1921  940.469   70.800  949.918   96.251  929.329  104.512   30.922   1.6035   30.512   1.7646 0.4108791 2.384300 
1 1 1  -25    9   19 o   20.947   1.7158  457.790   68.419  370.941   98.742  537.994   94.890   18.868   2.6959   23.025   2.1231 -4.156219 3.431506 
1 1 1  -25    9   20 o   11.821   2.6006  161.372   68.810  106.207  102.597  206.472   92.767   10.231   3.8299   13.412   3.5191 -3.181254 5.201204 
1 1 1  -25   10    1 o   27.432   0.9487  737.624   50.424  785.351   71.098  689.320   71.526   28.334   1.2926   26.529   1.3889 1.804785 1.897361 
1 1 1  -25   10    2 o   27.589   0.9255  744.131   49.552  723.090   69.237  766.226   70.950   27.189   1.3118   27.989   1.3058 -0.8002186 1.850980 
1 1 1  -25   10    3 o   28.650   0.9221  804.909   51.080  884.695   72.110  724.554   72.367   30.090   1.2345   27.210   1.3701 2.880196 1.844224 
1 1 1  -25   10    4 o   20.133   1.1959  398.753   46.683  411.354   65.177  385.479   66.896   20.468   1.6404   19.799   1.7406 0.6685543 2.391778 
1 1 1  -25   10    5 o   12.639   1.9475  166.139   46.480  148.413   65.588  184.024   65.879   11.925   2.8684   13.353   2.6351 -1.428452 3.895062 
1 1 1  -25   10    6 o   37.419   0.7525  1365.33   54.652  1399.08   78.083  1332.92   76.521   37.872   1.0621   36.965   1.0664 0.9070549 1.505088 
1 1 1  -25   10    7 o   27.796   0.9161  756.626   49.362  795.329   69.390  716.973   70.235   28.524   1.2532   27.069   1.3367 1.454754 1.832277 
1 1 1  -25   10    8 o   15.090   1.6468  234.768   45.201  158.922   63.331  313.523   64.534   12.355   2.7147   17.826   1.8650 -5.470499 3.293621 
1 1 1  -25   10    9 o   15.485   1.5076  237.581   44.931  281.260   65.270  198.239   61.945   16.857   1.9947   14.113   2.2612 2.743888 3.015232 
1 1 1  -25   10   10 o   32.783   0.7981  1049.54   50.766  1092.04   72.617  1008.92   70.998   33.433   1.1189   32.132   1.1383 1.301212 1.596118 
1 1 1  -25   10   11 o   29.854   0.8336  870.825   48.222  946.388   69.389  800.240   67.064   31.111   1.1490   28.597   1.2081 2.513975 1.667254 
1 1 1  -25   10   12 o   16.546   1.4177  271.537   45.140  322.390   65.724  226.128   62.106   18.033   1.8776   15.058   2.1247 2.974581 2.835389 
1 1 1  -25   10   13 o   38.760   0.7395  1468.53   55.622  1489.99   78.051  1446.38   79.288   39.052   1.0296   38.468   1.0618 0.5838013 1.479007 
1 1 1  -25   10   14 o   40.265   0.7110  1583.31   55.516  1593.68   80.522  1573.92   76.644   40.385   1.0271   40.145   0.9835 0.2398605 1.422089 
1 1 1  -25   10   15 o   8.4826   2.3207   51.265   48.272   69.530   97.788   45.380   55.506   9.4700   3.6905   7.4952   2.8149 1.974807 4.641451 
1 1 1  -25   10   16 o   12.271   2.4160  166.412   59.831  144.700   91.858  182.411   78.851   11.570   3.6551   12.971   3.1605 -1.401911 4.832055 
1 1 1  -25   10   17 o   19.650   1.6814  392.465   63.425  396.096   97.230  389.776   83.681   19.662   2.5474   19.638   2.1951 0.2392006E-01 3.362711 
1 1 1  -25   10   18 o   12.321   2.4795  164.819   62.784  216.068   94.734  124.678   83.841   13.890   3.5115   10.751   3.5015 3.139832 4.958912 
1 1 1  -25   10   19 o   10.587   2.4853  120.347   62.262   71.474   92.230  161.268   84.394   9.1910   3.5834   11.982   3.4447 -2.791375 4.970623 
1 1 1  -25   10   20 o   13.777   2.4839  215.102   66.706  258.540  100.105  180.409   89.463   15.032   3.4966   12.522   3.5290 2.510227 4.967899 
1 1 1  -25   11    1 o   14.705   1.5909  212.859   45.171  187.861   60.617  244.076   67.739   13.741   2.2726   15.670   2.2269 -1.929124 3.181798 
1 1 1  -25   11    2 o   24.407   0.9858  584.394   46.627  605.483   64.884  561.875   67.049   24.871   1.3439   23.944   1.4426 0.9276924 1.971591 
1 1 1  -25   11    3 o   21.713   1.1134  463.256   46.756  514.480   66.720  413.823   65.543   22.905   1.5006   20.522   1.6453 2.383730 2.226822 
1 1 1  -25   11    4 o   11.945   1.9170  149.304   45.029   99.486   65.350  194.336   62.132   9.9053   3.0759   13.985   2.2886 -4.080134 3.833906 
1 1 1  -25   11    5 o   21.769   1.1266  464.741   47.505  508.525   68.362  423.855   66.061   22.767   1.5469   20.771   1.6384 1.995146 2.253226 
1 1 1  -25   11    6 o   16.446   1.4251  267.076   45.460  276.306   65.849  258.671   62.837   16.715   2.0295   16.177   2.0011 0.5379963 2.850105 
1 1 1  -25   11    7 o   19.781   1.2426  395.174   46.343  298.766   67.218  482.514   63.979   17.382   1.9921   22.181   1.4859 -4.798725 2.485276 
1 1 1  -25   11    8 o   15.773   1.5248  246.588   46.648  259.229   67.526  235.048   64.518   16.160   2.1526   15.386   2.1601 0.7733335 3.049557 
1 1 1  -25   11    9 f   41.861   0.7093  1709.69   57.630  1697.56   81.946  1721.56   81.063   41.712   1.0121   42.010   0.9941 -0.2977295 1.418595 
1 1 1  -25   11   10 o   26.900   0.8909  707.373   46.313  803.115   66.938  619.457   64.144   28.653   1.2035   25.146   1.3141 3.507441 1.781896 
1 1 1  -25   11   11 o   20.703   1.1256  422.051   45.032  423.328   66.957  420.996   60.848   20.718   1.6649   20.689   1.5151 0.2890968E-01 2.251101 
1 1 1  -25   11   12 o   29.245   0.8529  836.697   48.374  857.229   70.211  818.144   66.742   29.582   1.2227   28.907   1.1894 0.6751595 1.705751 
1 1 1  -25   11   13 o   6.9427   2.0173   19.456   43.842   8.3565   62.877   29.958   61.162   6.6709   2.8203   7.2145   2.8850 -0.5435429 4.034529 
1 1 1  -25   11   14 o   12.280   1.9411  157.936   45.505  204.933   66.611  116.807   62.313   14.047   2.5363   10.512   2.9391 3.534057 3.882137 
1 1 1  -25   11   15 o   28.827   1.0516  820.590   51.761  817.066  100.695  821.856   60.344   28.675   1.8090   28.978   1.0727 -0.3030071 2.103149 
1 1 1  -25   11   16 o   20.312   1.5875  400.222   61.324  527.472   98.140  318.710   78.546   22.869   2.2107   17.756   2.2789 5.113464 3.175007 
1 1 1  -25   11   17 o   12.206   2.3351  170.012   59.586   99.632   92.377  220.158   77.976   10.084   3.6584   14.328   2.9030 -4.243795 4.670241 
1 1 1  -25   11   18 o   14.782   2.2769  235.796   62.289  261.757  100.096  219.389   79.574   15.334   3.4466   14.230   2.9764 1.104095 4.553861 
1 1 1  -25   11   19 o   14.506   2.2453  249.599   62.481  147.867   99.709  315.377   80.175   11.493   3.8221   17.520   2.3575 -6.027272 4.490694 
1 1 1  -25   11   20 o   16.861   2.0672  299.148   64.696  416.688   99.837  214.057   84.945   19.941   2.5792   13.781   3.2314 6.159564 4.134466 
1 1 1  -25   12    1 o   20.922   1.1841  433.934   47.714  382.053   68.658  482.395   66.356   19.681   1.7971   22.162   1.5424 -2.480597 2.368262 
1 1 1  -25   12    2 o   31.107   0.8464  945.923   51.086  939.556   73.198  951.968   71.330   31.002   1.2163   31.213   1.1773 -0.2111492 1.692751 
1 1 1  -25   12    3 o   43.010   0.7177  1800.57   59.855  1913.68   86.799  1698.02   82.649   44.296   1.0095   41.723   1.0205 2.572681 1.435386 
1 1 1  -25   12    4 o   25.860   0.9910  655.088   49.746  655.081   70.219  655.096   70.485   25.860   1.3988   25.860   1.4041 0.6217957E-03 1.981959 
1 1 1  -25   12    5 o   26.996   0.9586  718.973   49.831  634.866   71.943  796.534   69.087   25.448   1.4563   28.543   1.2469 -3.094448 1.917218 
1 1 1  -25   12    6 o   32.651   0.8071  1034.94   50.999  1144.35   75.460  942.940   69.194   34.231   1.1356   31.071   1.1472 3.160007 1.614222 
1 1 1  -25   12    7 o   30.104   0.8506  885.174   49.682  924.789   71.262  847.709   69.302   30.760   1.1934   29.447   1.2124 1.313074 1.701214 
1 1 1  -25   12    8 o   36.295   0.7260  1286.89   51.075  1250.74   73.602  1320.46   70.935   35.796   1.0592   36.793   0.9932 -0.9966660 1.452019 
1 1 1  -25   12    9 o   8.1313   2.1176   55.438   44.026   50.283   64.499   59.935   60.242   8.0263   3.0301   8.2363   2.9590 -0.2099752 4.235208 
1 1 1  -25   12   10 o   22.864   1.0498  519.629   45.859  617.979   64.438  418.702   65.277   25.110   1.3220   20.617   1.6311 4.493553 2.099533 
1 1 1  -25   12   11 o   15.136   1.5068  229.060   44.116  209.658   62.825  247.934   61.963   14.482   2.2349   15.790   2.0216 -1.308393 3.013523 
1 1 1  -25   12   12 o   10.235   2.0600  108.663   45.151   62.658   64.397  153.146   63.323   8.4159   3.0543   12.054   2.7650 -3.638029 4.119957 
1 1 1  -25   12   13 o   38.708   0.7238  1465.80   54.310  1397.54   77.509  1531.65   76.121   37.814   1.0559   39.603   0.9902 -1.789413 1.447568 
1 1 1  -25   12   14 o   25.827   0.9293  655.796   46.499  669.780   64.214  640.381   67.420   26.128   1.2661   25.527   1.3606 0.6010990 1.858563 
1 1 1  -25   12   15 o   22.635   1.3102  507.804   50.249  514.506   99.176  505.490   58.284   22.596   2.2610   22.673   1.3243 -0.7701492E-01 2.620306 
1 1 1  -25   12   16 o   33.744   1.1209  1127.40   72.466  1131.34  111.877  1124.55   95.117   33.740   1.7082   33.748   1.4519 -0.8125305E-02 2.241842 
1 1 1  -25   12   17 o   28.266   1.2543  786.816   68.350  892.326  104.314  707.440   90.478   29.895   1.7975   26.638   1.7498 3.257122 2.508539 
1 1 1  -25   12   18 o   9.5394   2.3971   85.308   59.068   32.530   85.496  133.506   81.702   8.0495   3.3375   11.029   3.4416 -2.979812 4.794135 
1 1 1  -25   12   19 o   6.4296   2.1090 -53.0768   60.590 -51.0426   99.602 -54.2717   76.340   6.9454   3.1984   5.9139   2.7500 1.031561 4.218071 
1 1 1  -25   12   20 o   6.8331   2.2131 -43.2597   63.349  -6.3512  105.160 -64.2830   79.366   7.7975   3.4655   5.8687   2.7534 1.928753 4.426157 
1 1 1  -25   13    1 o   26.328   0.9771  684.766   49.523  743.330   67.916  618.267   72.370   27.559   1.2695   25.096   1.4856 2.463406 1.954105 
1 1 1  -25   13    2 o   7.9151   2.1234   47.083   45.425   62.092   60.633   27.881   68.580   8.3367   2.9713   7.4935   3.0343 0.8431830 4.246870 
1 1 1  -25   13    3 o   19.590   1.2142  377.156   46.112  351.277   63.756  405.542   66.773   18.884   1.7393   20.297   1.6947 -1.413748 2.428415 
1 1 1  -25   13    4 o   8.7434   2.0170   64.559   44.484  124.437   62.285   2.2165   63.554   10.907   2.8940   6.5798   2.8105 4.327190 4.034085 
1 1 1  -25   13    5 o   21.547   1.0944  457.942   45.434  522.874   64.362  393.449   64.144   23.094   1.4357   20.000   1.6522 3.093470 2.188824 
1 1 1  -25   13    6 o   17.738   1.3292  310.788   45.725  327.952   64.984  293.958   64.349   18.230   1.8364   17.246   1.9222 0.9842281 2.658393 
1 1 1  -25   13    7 o   31.583   0.8059  977.038   49.270  1046.42   69.058  905.107   70.315   32.737   1.0867   30.428   1.1904 2.308718 1.611843 
1 1 1  -25   13    8 o   16.569   1.4326  272.520   46.005  263.247   66.142  281.210   64.032   16.284   2.0925   16.854   1.9572 -0.5699978 2.865155 
1 1 1  -25   13    9 o   25.921   0.9503  664.813   47.353  589.271   69.114  731.646   65.008   24.499   1.4533   27.344   1.2247 -2.844988 1.900552 
1 1 1  -25   13   10 o   22.848   1.0227  508.736   45.125  586.737   66.976  443.897   61.065   24.445   1.4114   21.250   1.4803 3.194979 2.045363 
1 1 1  -25   13   11 o   11.654   2.0081  142.226   46.457  199.962   67.412   90.005   64.112   13.867   2.5999   9.4413   3.0612 4.425578 4.016212 
1 1 1  -25   13   12 o   22.869   1.0458  517.286   46.166  470.593   66.661  560.322   63.998   21.852   1.5715   23.886   1.3803 -2.033842 2.091597 
1 1 1  -25   13   13 o   10.058   2.1561  105.472   45.775  100.982   65.000  109.891   64.475   9.8790   3.0676   10.237   3.0306 -0.3578625 4.312150 
1 1 1  -25   13   14 o   34.122   0.7544  1138.77   49.943  1190.07   71.235  1089.17   70.039   34.881   1.0520   33.363   1.0815 1.518753 1.508766 
1 1 1  -25   13   15 o   12.657   1.8982  215.101   48.972   20.126   89.753  297.757   58.438   7.9990   3.3750   17.315   1.7387 -9.315838 3.796487 
1 1 1  -25   13   16 o   9.7359   2.4758   91.218   58.901   97.445   92.414   86.959   76.438   10.042   3.6566   9.4297   3.3388 0.6124144 4.951637 
1 1 1  -25   13   17 o   20.466   1.6353  418.350   63.183  460.104  103.893  393.844   79.593   21.169   2.5283   19.763   2.0748 1.406166 3.270599 
1 1 1  -25   13   18 o   34.464   1.0955  1182.46   71.587  1169.42  113.701  1191.02   92.142   34.218   1.7118   34.710   1.3675 -0.4921112 2.190943 
1 1 1  -25   13   19 o   10.593   2.1631  115.460   58.355 -12.9537   87.774  217.177   78.120   7.1065   3.1619   14.080   2.9526 -6.973064 4.326144 
1 1 1  -25   13   20 o   42.602   1.0435  1810.67   84.560  1796.85  133.184  1820.01  109.451   42.353   1.6200   42.852   1.3158 -0.4992523 2.087001 
1 1 1  -25   14    1 o   10.732   1.7918  112.005   45.561  221.353   63.921  -0.9205   64.959   14.907   2.2090   6.5560   2.8218 8.351072 3.583560 
1 1 1  -25   14    2 o   26.473   0.9458  687.171   48.519  639.706   68.493  734.978   68.739   25.546   1.3812   27.399   1.2924 -1.853079 1.891580 
1 1 1  -25   14    3 o   11.365   2.0049  132.900   45.973  195.117   67.147   78.001   63.075   13.733   2.6143   8.9974   3.0403 4.735535 4.009724 
1 1 1  -25   14    4 o   34.390   0.7942  1156.31   52.908  1136.54   76.989  1174.00   72.832   34.103   1.1630   34.676   1.0820 -0.5733528 1.588465 
1 1 1  -25   14    5 o   34.791   0.7686  1180.34   51.869  1247.81   74.761  1117.73   72.024   35.750   1.0773   33.832   1.0967 1.918232 1.537285 
1 1 1  -25   14    6 o   6.7550   1.9740   7.8647   44.340 -33.8885   65.421   43.341   60.303   5.8582   2.6573   7.6517   2.9199 -1.793495 3.948076 
1 1 1  -25   14    7 o   31.538   0.8053  971.662   49.145  975.904   72.498  968.055   66.847   31.594   1.1821   31.483   1.0938 0.1108189 1.610543 
1 1 1  -25   14    8 o   23.247   1.0372  531.453   46.717  515.096   67.519  546.476   64.706   22.894   1.5193   23.601   1.4124 -0.7069054 2.074405 
1 1 1  -25   14    9 f   22.729   1.0476  509.002   46.025  562.570   65.128  455.562   65.051   23.941   1.4014   21.516   1.5575 2.425005 2.095122 
1 1 1  -25   14   10 o   45.516   0.6715  2021.71   59.318  2022.74   83.108  2020.66   84.690   45.530   0.9403   45.501   0.9588 0.2824020E-01 1.342977 
1 1 1  -25   14   11 o   21.762   1.0907  464.977   45.773  542.759   66.722  395.824   62.912   23.491   1.4632   20.032   1.6179 3.459553 2.181378 
1 1 1  -25   14   12 o   11.735   1.9805  145.007   44.768  173.397   64.536  118.674   62.154   12.866   2.6714   10.604   2.9246 2.261758 3.961002 
1 1 1  -25   14   13 o   59.983   0.6938  3512.93   80.764  3429.29  112.936  3600.49  115.545   59.252   0.9819   60.714   0.9804 -1.461605 1.387531 
1 1 1  -25   14   14 o   17.182   1.9190  337.952   53.092  237.762   97.362  380.353   63.338   14.763   3.4581   19.600   1.6647 -4.837530 3.837941 
1 1 1  -25   14   15 o   8.2140   2.2836   47.001   47.318   55.695   96.633   44.259   54.270   9.0398   3.6224   7.3882   2.7816 1.651616 4.567165 
1 1 1  -25   14   16 o   17.169   1.8499  309.316   58.005  293.066   93.230  319.580   74.092   16.540   3.0149   17.798   2.1446 -1.258226 3.699830 
1 1 1  -25   14   17 o   36.249   1.0457  1308.32   72.230  1261.00  112.286  1341.73   94.339   35.612   1.6243   36.885   1.3176 -1.273079 2.091491 
1 1 1  -25   14   18 o   19.862   1.7875  412.564   65.707  389.371  108.668  425.930   82.496   19.218   2.9130   20.506   2.0725 -1.287966 3.575014 
1 1 1  -25   14   19 o   8.6116   2.4286   39.637   62.883  110.720   98.108  -9.9271   81.923   10.300   3.7650   6.9231   3.0687 3.376982 4.857193 
1 1 1  -25   15    1 o   21.461   1.1682  451.327   48.519  420.246   65.603  488.852   72.085   20.653   1.6363   22.269   1.6676 -1.615772 2.336307 
1 1 1  -25   15    2 o   24.259   1.0442  577.511   49.131  567.307   67.861  588.752   71.224   24.039   1.4543   24.480   1.4988 -0.4414635 2.088390 
1 1 1  -25   15    3 o   13.095   1.8502  174.669   46.155  105.085   62.426  258.574   68.550   10.072   2.9821   16.117   2.1910 -6.045267 3.700453 
1 1 1  -25   15    4 o   19.190   1.2074  361.815   44.859  348.561   60.844  377.601   66.400   18.813   1.6660   19.567   1.7481 -0.7537899 2.414885 
1 1 1  -25   15    5 o   23.905   1.0258  560.450   47.553  595.638   68.108  526.980   66.424   24.641   1.4239   23.168   1.4770 1.472960 2.051544 
1 1 1  -25   15    6 o   33.551   0.7526  1100.17   48.970  1139.74   68.710  1059.33   69.811   34.170   1.0359   32.932   1.0920 1.237919 1.505193 
1 1 1  -25   15    7 f   18.185   1.3363  330.152   46.657  279.709   66.760  378.312   65.232   16.784   2.0491   19.586   1.7158 -2.801363 2.672557 
1 1 1  -25   15    8 o   39.278   0.7309  1505.95   55.686  1519.41   80.512  1493.60   77.103   39.442   1.0516   39.114   1.0155 0.3281784 1.461853 
1 1 1  -25   15    9 o   17.297   1.2930  296.559   43.262  291.158   63.542  301.227   59.067   17.135   1.9104   17.460   1.7428 -0.3249893 2.585918 
1 1 1  -25   15   10 o   30.700   0.8102  922.175   48.279  925.427   68.553  918.975   68.004   30.753   1.1483   30.647   1.1431 0.1062622 1.620303 
1 1 1  -25   15   11 o   8.6257   2.0623   67.061   43.320  106.346   61.706   28.885   60.829   10.083   2.9591   7.1682   2.8734 2.914961 4.124695 
1 1 1  -25   15   12 o   38.096   0.7128  1412.57   52.610  1508.87   77.294  1329.44   71.813   39.300   1.0132   36.892   1.0028 2.408226 1.425517 
1 1 1  -25   15   13 o   13.126   1.8237  181.639   45.228  113.843   63.378  251.994   64.563   10.377   2.9858   15.876   2.0950 -5.499031 3.647453 
1 1 1  -25   15   14 o   14.333   2.0154  220.078   50.701  201.713   91.123  228.313   61.019   13.571   3.4511   15.094   2.0826 -1.522349 4.030780 
1 1 1  -25   15   15 o   6.4996   2.0737 -21.3039   49.312 -23.0358   95.740 -20.6785   57.530   7.3509   3.2841   5.6483   2.5330 1.702575 4.147483 
1 1 1  -25   15   16 o   18.268   1.7401  332.014   58.773  371.745  101.846  312.177   71.964   18.942   2.7698   17.594   2.1071 1.348154 3.480167 
1 1 1  -25   15   17 o   16.022   2.0585  269.242   60.713  311.883   96.761  241.554   77.971   16.999   3.0441   15.045   2.7719 1.953729 4.117019 
1 1 1  -25   15   18 o   30.218   1.1878  897.494   68.442  991.264  109.427  837.239   87.718   31.433   1.7934   29.004   1.5580 2.428892 2.375641 
1 1 1  -25   15   19 o   40.196   1.0279  1609.22   78.744  1597.78  123.319  1617.09  102.320   39.980   1.5890   40.413   1.3043 -0.4326744 2.055749 
1 1 1  -25   16    1 o   21.028   1.1114  435.023   45.335  425.436   62.706  445.522   65.620   20.789   1.5539   21.267   1.5895 -0.4781742 2.222845 
1 1 1  -25   16    2 o   17.847   1.3353  315.256   46.237  301.343   64.621  329.851   66.185   17.440   1.9088   18.254   1.8678 -0.8142109 2.670581 
1 1 1  -25   16    3 o   38.508   0.7404  1447.90   55.311  1451.29   79.651  1444.74   76.867   38.547   1.0645   38.468   1.0294 0.7917786E-01 1.480784 
1 1 1  -25   16    4 o   42.003   0.7073  1721.31   57.658  1759.71   82.275  1684.26   80.825   42.463   0.9981   41.542   1.0023 0.9213219 1.414524 
1 1 1  -25   16    5 o   23.912   1.0060  561.099   46.683  564.333   66.912  558.032   65.161   23.976   1.4377   23.848   1.4076 0.1286373 2.012006 
1 1 1  -25   16    6 o   14.821   1.5766  220.254   45.056  206.738   66.317  231.840   61.403   14.369   2.3775   15.273   2.0711 -0.9039488 3.153127 
1 1 1  -25   16    7 o   16.979   1.3491  283.945   44.311  318.288   65.377  254.764   60.264   17.928   1.8786   16.030   1.9367 1.898521 2.698129 
1 1 1  -25   16    8 o   34.211   0.7379  1145.26   48.873  1113.18   71.174  1173.89   67.228   33.748   1.0865   34.675   0.9988 -0.9268837 1.475796 
1 1 1  -25   16    9 o   42.400   0.6741  1754.42   55.477  1741.71   77.778  1767.58   79.154   42.245   0.9485   42.555   0.9582 -0.3101387 1.348236 
1 1 1  -25   16   10 o   22.835   1.0273  514.667   45.347  558.856   63.460  468.558   64.824   23.856   1.3703   21.813   1.5309 2.043488 2.054654 
1 1 1  -25   16   11 o   21.552   1.0774  461.098   44.640  423.517   66.154  492.517   60.488   20.714   1.6452   22.391   1.3917 -1.676958 2.154871 
1 1 1  -25   16   12 o   25.644   0.9383  648.137   46.502  610.858   67.751  681.341   63.942   24.927   1.4002   26.360   1.2496 -1.433004 1.876697 
1 1 1  -25   16   13 o   23.987   1.0065  569.722   46.520  534.456   68.744  599.517   63.187   23.274   1.5216   24.700   1.3178 -1.426231 2.012913 
1 1 1  -25   16   14 o   28.339   1.1021  787.315   54.058  809.476  103.751  779.056   63.335   28.492   1.8758   28.185   1.1576 0.3074055 2.204278 
1 1 1  -25   16   15 o   8.4574   2.3312   54.890   54.607   48.746   86.145   59.017   70.605   8.5361   3.4203   8.3786   3.1686 0.1574812 4.662407 
1 1 1  -25   16   16 o   14.306   2.1044  193.615   58.927  380.254   98.223   88.665   73.655   19.202   2.6351   9.4096   3.2817 9.792646 4.208735 
1 1 1  -25   16   17 o   10.418   2.5345  106.760   60.372  151.201  100.735   81.850   75.417   11.663   3.8400   9.1720   3.3089 2.491305 5.068935 
1 1 1  -25   16   18 o   14.929   2.2084  225.306   63.584  383.257  103.080  128.294   80.784   19.087   2.7821   10.771   3.4304 8.315747 4.416734 
1 1 1  -25   16   19 o   26.435   1.3180  696.457   65.699  750.364  107.966  664.758   82.792   27.124   2.0506   25.747   1.6565 1.376720 2.636070 
1 1 1  -25   17    1 o   12.800   1.9919  166.550   49.890  107.007   67.026  240.524   74.708   10.149   3.1091   15.451   2.4908 -5.301621 3.983777 
1 1 1  -25   17    2 o   41.799   0.7548  1707.34   61.169  1706.97   84.439  1707.75   88.734   41.802   1.0406   41.797   1.0936 0.4600525E-02 1.509608 
1 1 1  -25   17    3 o   17.391   1.5774  320.208   48.871  406.719   66.384  217.839   72.212   20.302   1.6844   14.479   2.6676 5.823499 3.154872 
1 1 1  -25   17    4 o   39.354   0.7350  1513.26   55.962  1520.46   76.219  1504.83   82.431   39.466   0.9949   39.242   1.0821 0.2238312 1.469946 
1 1 1  -25   17    5 o   19.602   1.2108  381.549   45.785  346.030   66.264  413.997   63.334   18.701   1.8253   20.502   1.5914 -1.801191 2.421624 
1 1 1  -25   17    6 o   28.279   0.8507  781.767   46.573  796.185   68.668  769.485   63.377   28.512   1.2407   28.045   1.1642 0.4670811 1.701342 
1 1 1  -25   17    7 o   9.9997   2.0800  104.835   43.606   84.088   64.399  122.401   59.258   9.2203   3.0719   10.779   2.8051 -1.558800 4.159956 
1 1 1  -25   17    8 o   11.956   1.9612  150.814   44.633  145.708   64.166  155.600   62.124   11.741   2.8453   12.171   2.7001 -0.4306440 3.922490 
1 1 1  -25   17    9 o   14.029   1.6899  201.356   44.781  189.826   65.240  211.628   61.578   13.505   2.5827   14.552   2.1799 -1.047094 3.379706 
1 1 1  -25   17   10 o   30.575   0.8072  911.205   47.631  946.110   71.845  883.832   63.622   31.084   1.1907   30.065   1.0901 1.019159 1.614334 
1 1 1  -25   17   11 o   31.854   0.7807  987.175   48.141  1068.85   71.375  919.011   65.205   33.054   1.1124   30.653   1.0958 2.400702 1.561492 
1 1 1  -25   17   12 o   11.450   2.0005  138.968   44.124  143.469   64.742  135.063   60.296   11.611   2.8851   11.288   2.7719 0.3231258 4.000920 
1 1 1  -25   17   13 o   22.279   1.0170  485.078   43.606  583.328   64.678  403.202   59.043   24.346   1.3685   20.212   1.5048 4.134054 2.034068 
1 1 1  -25   17   14 o   12.653   2.2684  164.786   51.650  198.516   97.430  151.602   60.914   13.366   3.6516   11.941   2.6922 1.424990 4.536775 
1 1 1  -25   17   15 o   22.871   1.4592  533.016   61.988  501.369  101.956  551.575   78.076   22.198   2.3661   23.544   1.7083 -1.345957 2.918303 
1 1 1  -25   17   16 o   14.154   2.1006  215.772   55.238  222.013   85.743  211.343   72.223   14.234   3.1829   14.074   2.7421 0.1604538 4.201223 
1 1 1  -25   17   17 o   18.012   1.7793  333.772   60.029  339.586   98.795  330.370   75.582   17.994   2.8284   18.031   2.1594 -0.3687286E-01 3.558542 
1 1 1  -25   17   18 o   11.684   2.3943  124.762   59.955  263.526  103.159   53.983   73.675   15.178   3.5623   8.1901   3.2001 6.988387 4.788627 
1 1 1  -25   17   19 o   10.199   2.1991  114.523   57.461  -9.7896   94.211  188.159   72.509   7.3599   3.2752   13.038   2.9356 -5.678438 4.398208 
1 1 1  -25   18    1 o   18.494   1.4081  339.930   49.966  338.529   65.829  341.834   76.745   18.483   1.8348   18.505   2.1364 -0.2244759E-01 2.816148 
1 1 1  -25   18    2 o   22.141   1.1854  478.475   50.338  450.095   65.535  519.313   78.614   21.370   1.5798   22.911   1.7676 -1.540644 2.370715 
1 1 1  -25   18    3 o   52.847   0.7003  2724.44   71.781  2670.36   99.142  2784.02  104.065   52.300   0.9765   53.393   1.0040 -1.092556 1.400618 
1 1 1  -25   18    4 f   24.045   1.0393  567.592   48.464  547.170   66.780  590.315   70.443   23.591   1.4582   24.499   1.4812 -0.9074936 2.078597 
1 1 1  -25   18    5 o   23.486   1.0401  542.618   47.376  537.388   68.244  547.483   65.821   23.370   1.5043   23.602   1.4366 -0.2326069 2.080113 
1 1 1  -25   18    6 o   18.592   1.2718  342.959   45.772  367.676   64.259  317.503   65.213   19.290   1.7161   17.894   1.8774 1.395603 2.543552 
1 1 1  -25   18    7 o   29.508   0.8663  856.073   49.319  966.080   69.867  746.818   69.628   31.422   1.1455   27.595   1.2998 3.826918 1.732530 
1 1 1  -25   18    8 o   44.590   0.6886  1939.74   59.584  2010.02   85.596  1873.67   82.993   45.374   0.9718   43.807   0.9760 1.567032 1.377294 
1 1 1  -25   18    9 o   30.409   0.8067  904.312   47.588  917.550   68.763  892.144   65.926   30.619   1.1569   30.199   1.1246 0.4200020 1.613433 
1 1 1  -25   18   10 o   9.2452   2.0769   85.000   41.795  103.897   63.533   70.584   55.494   9.9878   3.0202   8.5025   2.8518 1.485251 4.153815 
1 1 1  -25   18   11 o   7.6973   2.0133   40.882   43.839 -13.8499   65.688   84.835   58.866   6.2562   2.7617   9.1384   2.9301 -2.882192 4.026507 
1 1 1  -25   18   12 o   16.605   1.3694  275.556   44.013  261.222   63.541  288.776   61.022   16.169   2.0245   17.042   1.8446 -0.8728447 2.738808 
1 1 1  -25   18   13 o   7.6924   2.0713   46.231   42.998   36.792   60.683   55.748   60.935   7.3664   2.8966   8.0184   2.9614 -0.6520171 4.142518 
1 1 1  -25   18   14 o   6.5491   2.0486 -51.9646   49.795   47.706   89.043 -97.3177   60.065   8.6006   3.4663   4.4976   2.1844 4.103057 4.097182 
1 1 1  -25   18   15 o   9.7968   2.4332   97.538   57.999   61.106   96.673  118.026   72.495   9.1167   3.6333   10.477   3.2374 -1.360084 4.866397 
1 1 1  -25   18   16 o   6.3648   2.0751 -49.3251   57.405 -33.1749   93.550 -59.0791   72.702   7.0373   3.1862   5.6923   2.6592 1.344975 4.150115 
1 1 1  -25   18   17 o   21.522   1.3942  470.184   56.724  456.515   90.261  479.106   72.923   21.161   2.1974   21.884   1.7166 -0.7228069 2.788427 
1 1 1  -25   18   18 o   12.787   2.3800  158.568   59.281  293.412  105.518   96.377   71.659   16.049   3.4867   9.5248   3.2404 6.524444 4.759954 
1 1 1  -25   19    1 o   12.797   2.0922  176.866   50.673  195.368   66.500  151.248   78.251   13.701   2.5954   11.893   3.2822 1.808290 4.184337 
1 1 1  -25   19    2 o   18.605   1.4457  355.258   50.525  416.382   67.876  279.305   75.663   20.527   1.7034   16.682   2.3365 3.845259 2.891494 
1 1 1  -25   19    3 o   22.910   1.1426  515.883   50.184  506.171   65.715  529.473   77.732   22.680   1.4927   23.141   1.7304 -0.4616833 2.285249 
1 1 1  -25   19    4 o   17.411   1.3834  301.122   46.737  297.530   65.033  304.959   67.214   17.308   1.9356   17.514   1.9770 -0.2061195 2.766818 
1 1 1  -25   19    5 o   27.554   0.8940  744.961   47.684  754.491   65.293  734.069   69.803   27.754   1.2119   27.354   1.3146 0.4000721 1.787957 
1 1 1  -25   19    6 o   8.3802   2.1419   61.283   45.203   44.239   63.725   78.545   64.132   7.7662   2.9923   8.9942   3.0655 -1.227978 4.283795 
1 1 1  -25   19    7 o   19.867   1.2134  393.022   46.372  338.468   66.302  445.263   64.882   18.478   1.8484   21.255   1.5725 -2.776957 2.426784 
1 1 1  -25   19    8 o   8.7607   2.1605   72.427   45.373   60.702   66.414   82.689   62.134   8.4028   3.0938   9.1185   3.0165 -0.7157631 4.320935 
1 1 1  -25   19    9 o   49.796   0.6733  2418.20   65.017  2471.85   94.404  2369.79   89.675   50.317   0.9665   49.276   0.9375 1.041142 1.346510 
1 1 1  -25   19   10 o   31.268   0.7941  958.188   48.130  910.740   68.648  1004.06   67.499   30.497   1.1596   32.039   1.0853 -1.541878 1.588231 
1 1 1  -25   19   11 o   19.449   1.1645  374.905   43.862  349.649   62.498  399.418   61.572   18.787   1.7137   20.111   1.5772 -1.323742 2.329008 
1 1 1  -25   19   12 o   11.138   1.9642  131.406   42.485  152.815   61.709  112.113   58.578   12.003   2.7123   10.273   2.8418 1.730546 3.928385 
1 1 1  -25   19   13 o   38.965   0.7141  1480.84   53.886  1553.97   79.592  1418.96   73.219   39.844   1.0291   38.086   0.9904 1.758358 1.428220 
1 1 1  -25   19   14 o   14.018   2.0312  199.006   49.970  242.805   91.596  180.446   59.625   14.911   3.2558   13.126   2.4296 1.785089 4.062448 
1 1 1  -25   19   15 o   14.415   2.0112  220.075   53.993  248.749   81.895  198.029   71.810   15.243   2.8732   13.588   2.8150 1.654701 4.022358 
1 1 1  -25   19   16 o   8.7142   2.4102   60.085   57.351   65.182   95.833   57.242   71.584   9.1394   3.6253   8.2889   3.1770 0.8505287 4.820390 
1 1 1  -25   19   17 o   16.618   1.9813  310.805   57.025  246.354   96.720  345.146   70.600   14.764   3.4387   18.472   1.9689 -3.707426 3.962519 
1 1 1  -25   19   18 o   14.649   2.2035  243.822   57.291  215.592  103.550  256.276   68.777   13.521   3.7918   15.776   2.2458 -2.255256 4.406988 
1 1 1  -25   20    1 o   14.129   1.8421  205.030   48.121  203.935   61.488  206.761   77.300   14.274   2.2190   13.984   2.9408 0.2900839 3.684112 
1 1 1  -25   20    2 o   8.1048   1.9489   37.261   47.410  121.774   62.211 -79.8264   73.224   10.736   2.9116   5.4735   2.5914 5.262551 3.897765 
1 1 1  -25   20    3 o   7.3059   2.1065   25.579   47.065   31.800   63.236   17.854   70.469   7.3544   2.9362   7.2574   3.0213 0.9697199E-01 4.212991 
1 1 1  -25   20    4 o   24.821   1.0390  603.836   49.874  534.927   68.529  681.438   72.723   23.310   1.5145   26.331   1.4228 -3.021076 2.077965 
1 1 1  -25   20    5 o   47.448   0.6943  2198.76   63.911  2180.18   91.737  2216.27   89.089   47.248   1.0002   47.648   0.9632 -0.4002113 1.388602 
1 1 1  -25   20    6 o   16.275   1.8202  288.172   51.484  220.888   85.506  326.439   64.483   14.399   3.1470   18.151   1.8302 -3.751426 3.640457 
1 1 1  -25   20    7 o   31.495   0.8132  970.797   49.591  970.369   72.763  971.169   67.768   31.480   1.1907   31.511   1.1079 -0.3164673E-01 1.626427 
1 1 1  -25   20    8 o   14.285   1.6571  206.835   44.490  248.491   65.238  170.617   60.830   15.774   2.1305   12.796   2.5386 2.978435 3.314124 
1 1 1  -25   20    9 o   30.340   0.8513  892.961   49.886  1006.46   75.079  803.246   66.751   32.048   1.2068   28.632   1.2010 3.416292 1.702596 
1 1 1  -25   20   10 o   25.912   0.9329  659.034   46.690  664.991   69.727  654.191   62.865   26.003   1.3813   25.821   1.2542 0.1823502 1.865787 
1 1 1  -25   20   11 o   8.6694   2.0935   72.612   43.338   47.637   63.902   93.882   58.972   7.8452   3.0029   9.4937   2.9176 -1.648493 4.186914 
1 1 1  -25   20   12 f   28.730   0.8571  804.271   47.609  882.858   71.275  740.959   63.974   29.984   1.2246   27.475   1.1995 2.508629 1.714163 
1 1 1  -25   20   13 o   17.124   1.3537  294.551   44.737  278.781   65.755  308.142   61.043   16.663   2.0329   17.585   1.7883 -0.9219131 2.707481 
1 1 1  -25   20   14 f   17.109   1.8610  313.008   51.700  288.427  100.380  321.882   60.315   16.243   3.2962   17.974   1.7286 -1.731113 3.721934 
1 1 1  -25   20   15 o   11.311   2.3259  141.939   53.854  127.331   85.959  151.377   69.096   10.846   3.5461   11.777   3.0108 -0.9311962 4.651830 
1 1 1  -25   20   16 o   15.985   1.9548  259.669   58.205  324.876   95.613  221.277   73.366   17.603   2.7982   14.368   2.7303 3.234612 3.909528 
1 1 1  -25   20   17 o   6.3498   2.0851 -50.3595   57.382 -40.0446  100.642 -55.3278   69.848   7.1271   3.2571   5.5725   2.6043 1.554588 4.170249 
1 1 1  -25   20   18 o   22.817   1.3916  540.694   57.043  495.863   99.268  562.796   69.701   21.884   2.3368   23.750   1.5118 -1.866621 2.783212 
1 1 1  -25   21    1 o   18.673   1.4506  350.208   51.898  365.149   69.063  330.826   78.661   19.179   1.8550   18.166   2.2307 1.013542 2.901225 
1 1 1  -25   21    2 o   12.937   2.0669  173.120   50.420  142.957   66.117  215.039   77.944   11.601   2.9340   14.272   2.9119 -2.671381 4.133744 
1 1 1  -25   21    3 o   10.184   2.0944   99.790   45.124   59.246   58.464  159.538   70.971   8.1244   2.9153   12.243   3.0079 -4.118422 4.188889 
1 1 1  -25   21    4 o   18.564   1.3717  358.445   46.969  421.087   61.580  271.308   72.628   20.676   1.5343   16.452   2.2741 4.223391 2.743308 
1 1 1  -25   21    5 o   11.501   2.1168  139.061   47.662  121.993   64.214  159.999   71.123   10.741   2.9767   12.261   3.0104 -1.520002 4.233568 
1 1 1  -25   21    6 o   14.960   1.6158  224.549   46.874  212.848   66.202  236.312   66.378   14.556   2.3429   15.363   2.2257 -0.8066845 3.231578 
1 1 1  -25   21    7 o   11.097   2.0793  131.388   45.702  115.453   66.924  145.312   62.561   10.472   3.0842   11.723   2.7895 -1.251637 4.158534 
1 1 1  -25   21    8 o   22.613   1.0693  501.823   46.717  574.834   68.270  437.529   64.066   24.166   1.4553   21.060   1.5671 3.106195 2.138653 
1 1 1  -25   21    9 o   36.269   0.7529  1289.74   52.856  1239.77   76.781  1334.76   72.871   35.587   1.1115   36.951   1.0159 -1.364025 1.505795 
1 1 1  -25   21   10 o   31.969   0.7793  996.010   48.126  1047.11   72.355  955.469   64.450   32.691   1.1402   31.247   1.0626 1.443842 1.558545 
1 1 1  -25   21   11 o   40.145   0.7058  1571.47   54.756  1625.68   81.932  1527.71   73.609   40.757   1.0356   39.533   0.9592 1.224140 1.411546 
1 1 1  -25   21   12 o   24.269   0.9977  578.822   46.679  598.943   70.768  563.326   62.106   24.621   1.4807   23.917   1.3377 0.7045269 1.995464 
1 1 1  -25   21   13 o   23.854   0.9568  561.134   44.242  600.625   63.014  522.742   62.130   24.692   1.3146   23.016   1.3906 1.676636 1.913676 
1 1 1  -25   21   14 o   34.760   0.9843  1229.13   59.487  1110.37  109.510  1278.85   70.852   33.390   1.6896   36.130   1.0102 -2.740414 1.968535 
1 1 1  -25   21   15 o   6.4637   2.0925 -52.2898   56.711   0.7085   94.527 -82.0919   70.884   7.6713   3.3518   5.2561   2.5058 2.415149 4.184918 
1 1 1  -25   21   16 o   7.1917   2.1518  -7.1960   53.183   66.375   85.196 -54.1712   68.077   8.8667   3.4476   5.5167   2.5758 3.350028 4.303611 
1 1 1  -25   21   17 o   7.2917   2.1198   11.127   55.653 -136.7932  102.367   73.193   66.309   5.9715   2.8888   8.6118   3.1032 -2.640263 4.239700 
1 1 1  -25   22    1 o   37.847   0.7890  1404.07   57.417  1415.13   76.331  1389.65   87.138   38.042   1.0336   37.652   1.1922 0.3901749 1.577912 
1 1 1  -25   22    2 o   25.731   1.0422  655.048   51.574  676.400   69.103  628.200   77.488   26.235   1.3569   25.227   1.5824 1.008139 2.084486 
1 1 1  -25   22    3 o   15.020   1.7732  239.147   48.549  272.318   63.823  193.595   74.791   16.534   1.9886   13.507   2.9363 3.026907 3.546310 
1 1 1  -25   22    4 o   32.544   0.8516  1038.76   53.555  1048.49   72.571  1027.12   79.360   32.727   1.1424   32.361   1.2633 0.3659210 1.703235 
1 1 1  -25   22    5 o   29.089   0.8970  829.541   49.788  827.483   64.698  832.531   77.967   29.073   1.1464   29.105   1.3800 -0.3227043E-01 1.794062 
1 1 1  -25   22    6 o   19.226   1.3098  386.924   46.149  474.513   61.314  272.462   70.091   21.959   1.4384   16.492   2.1894 5.467281 2.619620 
1 1 1  -25   22    7 o   21.715   1.1061  465.420   46.614  461.500   66.532  469.199   65.329   21.621   1.5853   21.810   1.5431 -0.1892872 2.212264 
1 1 1  -25   22    8 o   27.109   0.9196  724.689   48.110  690.148   70.939  754.105   65.465   26.488   1.3796   27.730   1.2162 -1.241161 1.839167 
1 1 1  -25   22    9 o   23.361   1.0560  540.833   47.650  493.369   68.569  585.162   66.266   22.342   1.5810   24.379   1.4002 -2.037176 2.111949 
1 1 1  -25   22   10 o   10.823   1.9812  123.205   42.599  159.407   62.478   91.755   58.234   12.261   2.6982   9.3849   2.9018 2.876236 3.962441 
1 1 1  -25   22   11 o   27.586   0.8820  745.356   47.143  807.138   68.881  690.912   64.661   28.660   1.2381   26.512   1.2564 2.148523 1.763932 
1 1 1  -25   22   12 o   12.322   1.8648  162.895   43.222  140.404   63.252  182.596   59.199   11.423   2.8592   13.221   2.3949 -1.797295 3.729675 
1 1 1  -25   22   13 o   17.052   1.2680  290.345   41.922  308.334   59.687  272.832   58.894   17.585   1.7486   16.519   1.8367 1.066015 2.535926 
1 1 1  -25   22   14 o   7.4740   2.1601   32.467   46.551   18.715   87.384   37.916   55.006   7.8028   3.3132   7.1452   2.7725 0.6576223 4.320178 
1 1 1  -25   22   15 o   24.946   1.3079  603.497   59.140  686.672  107.121  567.030   70.929   26.006   2.1219   23.886   1.5297 2.120012 2.615836 
1 1 1  -25   22   16 o   12.318   2.3620  161.603   54.685  203.689   98.335  142.761   65.797   13.263   3.6865   11.373   2.9539 1.890372 4.723962 
1 1 1  -25   22   17 o   8.5644   2.3330   64.478   56.070   8.2561   99.430   90.692   67.894   7.8718   3.4385   9.2569   3.1541 -1.385060 4.666052 
1 1 1  -25   23    1 o   13.587   1.9547  195.570   50.127  214.389   66.875  171.438   75.729   14.564   2.3655   12.611   3.1124 1.953000 3.909300 
1 1 1  -25   23    2 o   21.007   1.2178  439.814   48.468  448.934   62.523  426.079   76.726   21.332   1.5099   20.682   1.9111 0.6504402 2.435582 
1 1 1  -25   23    3 o   8.5239   2.1070   67.272   45.135   96.327   59.003   26.285   70.079   9.6090   2.9116   7.4388   3.0464 2.170249 4.214000 
1 1 1  -25   23    4 o   27.864   0.9397  767.444   50.490  817.517   69.106  710.112   73.945   28.869   1.2332   26.860   1.4182 2.008778 1.879366 
1 1 1  -25   23    5 o   31.142   0.8466  953.655   50.816  977.274   68.425  924.607   75.883   31.594   1.1157   30.690   1.2737 0.9033794 1.693264 
1 1 1  -25   23    6 o   15.796   1.5414  250.109   46.942  213.341   65.023  290.128   67.837   14.555   2.3014   17.037   2.0512 -2.482008 3.082886 
1 1 1  -25   23    7 o   9.3961   1.9725   88.033   43.883  146.891   59.652   18.609   64.785   11.787   2.6691   7.0051   2.9050 4.781877 3.944994 
1 1 1  -25   23    8 o   33.576   0.7909  1105.33   51.493  1129.64   71.667  1079.38   74.034   33.966   1.0869   33.185   1.1493 0.7813797 1.581858 
1 1 1  -25   23    9 o   16.354   1.4971  267.688   47.338  302.627   68.933  236.506   65.122   17.379   2.0433   15.328   2.1886 2.050750 2.994150 
1 1 1  -25   23   10 o   25.265   0.9879  629.799   48.129  624.510   72.146  634.041   64.605   25.146   1.4780   25.384   1.3111 -0.2379971 1.975785 
1 1 1  -25   23   11 o   44.976   0.6662  1977.99   58.161  1976.06   82.096  1979.93   82.409   44.954   0.9408   44.997   0.9435 -0.4304123E-01 1.332356 
1 1 1  -25   23   12 o   25.978   0.8763  664.228   44.158  692.299   62.395  636.061   62.501   26.536   1.2113   25.420   1.2666 1.115803 1.752594 
1 1 1  -25   23   13 o   13.680   2.1282  162.050   49.247  311.725  103.197  117.912   56.040   16.886   3.2664   10.473   2.7290 6.413142 4.256336 
1 1 1  -25   23   14 o   11.945   2.1790  161.010   47.240  127.167   98.732  171.057   53.798   10.904   3.7997   12.986   2.1341 -2.081907 4.358050 
1 1 1  -25   23   15 o   14.480   2.1509  262.284   55.218  143.456  100.864  313.138   65.984   11.347   3.8445   17.613   1.9299 -6.266529 4.301734 
1 1 1  -25   23   16 o   10.421   2.4785  113.853   54.152  129.717  107.442  108.451   62.698   10.901   3.9468   9.9406   2.9990 0.9605379 4.956955 
1 1 1  -25   24    1 o   25.751   1.0960  648.260   54.167  524.657   72.864  800.951   80.985   23.012   1.6311   28.489   1.4644 -5.477102 2.192033 
1 1 1  -25   24    2 o   27.181   1.0169  726.139   53.166  712.094   70.287  744.923   81.282   26.901   1.3460   27.461   1.5248 -0.5601635 2.033873 
1 1 1  -25   24    3 o   14.088   1.8380  203.844   48.204  105.909   64.239  330.053   72.926   10.025   3.0381   18.152   2.0697 -8.126312 3.676085 
1 1 1  -25   24    4 o   29.536   0.8841  844.941   49.650  802.119   63.390  912.910   79.863   28.610   1.1414   30.463   1.3505 -1.853603 1.768262 
1 1 1  -25   24    5 o   13.696   1.8407  197.490   46.870  211.623   61.301  177.601   72.721   14.513   2.1760   12.879   2.9696 1.634114 3.681467 
1 1 1  -25   24    6 o   8.1803   2.0883   41.096   47.159 -16.6208   63.575  111.709   70.320   6.0689   2.6960   10.292   3.1899 -4.222859 4.176582 
1 1 1  -25   24    7 o   28.707   0.9446  811.659   52.455  822.239   71.568  799.380   77.105   28.926   1.2746   28.487   1.3944 0.4393749 1.889108 
1 1 1  -25   24    8 o   16.705   1.4992  283.005   48.051  303.891   64.933  257.723   71.439   17.445   1.9175   15.965   2.3051 1.479100 2.998407 
1 1 1  -25   24    9 o   7.1137   2.0575   24.882   45.092   28.738   61.362   20.355   66.484   7.1299   2.8761   7.0976   2.9430 0.3230572E-01 4.115017 
1 1 1  -25   24   10 o   7.6043   1.9944   33.674   44.670 -32.1939   65.144   92.134   61.371   5.8066   2.6407   9.4020   2.9895 -3.595355 3.988767 
1 1 1  -25   24   11 o   6.6944   1.9658   15.924   42.436   0.3448   60.846   30.680   59.215   6.3033   2.7219   7.0855   2.8369 -0.7821712 3.931523 
1 1 1  -25   24   12 o   10.065   1.9645  108.762   39.806   96.936   56.680  120.271   55.916   9.5449   2.8451   10.584   2.7099 -1.039485 3.929096 
1 1 1  -25   24   13 o   14.481   2.0799  224.612   49.691  222.737  100.812  225.214   57.110   14.007   3.6653   14.955   1.9672 -0.9483461 4.159835 
1 1 1  -25   24   14 o   10.077   2.3714   99.181   47.306  127.554  101.834   91.373   53.420   10.908   3.8547   9.2457   2.7634 1.662228 4.742893 
1 1 1  -25   24   15 o   12.408   2.1809  178.548   51.946  137.395   86.737  201.563   64.866   11.067   3.5577   13.749   2.5235 -2.681616 4.361775 
1 1 1  -25   24   16 o   24.026   1.3817  551.446   57.778  668.258  113.669  510.750   67.092   25.432   2.3025   22.620   1.5279 2.811144 2.763362 
1 1 1  -25   25    1 o   21.954   1.2318  471.079   51.958  422.743   67.806  539.831   80.868   20.629   1.6933   23.280   1.7895 -2.651146 2.463650 
1 1 1  -25   25    2 o   25.598   1.0260  643.898   50.772  617.194   68.232  677.028   76.000   25.020   1.4049   26.177   1.4956 -1.157528 2.051985 
1 1 1  -25   25    3 o   8.6688   2.1694   69.930   47.562   97.786   62.403   31.316   73.471   9.6633   3.0066   7.6742   3.1283 1.989106 4.338867 
1 1 1  -25   25    4 o   13.789   1.8269  195.660   47.518  152.102   64.410  247.678   70.387   11.930   2.8250   15.648   2.3172 -3.718813 3.653766 
1 1 1  -25   25    5 o   18.321   1.3318  343.657   46.017  407.234   62.623  269.031   67.847   20.283   1.5905   16.358   2.1366 3.924818 2.663632 
1 1 1  -25   25    6 o   6.7570   2.0208   3.9306   46.425 -22.4247   62.985   35.281   68.695   5.9041   2.6489   7.6099   3.0525 -1.705757 4.041529 
1 1 1  -25   25    7 o   14.375   1.7656  213.004   48.182  197.030   66.706  230.427   69.668   13.682   2.6068   15.067   2.3819 -1.385204 3.531133 
1 1 1  -25   25    8 o   16.149   1.5554  266.491   47.987  311.168   66.831  218.941   68.947   17.630   1.9528   14.668   2.4214 2.961541 3.110764 
1 1 1  -25   25    9 o   21.096   1.1746  445.219   47.694  501.477   66.668  386.248   68.257   22.509   1.5258   19.684   1.7864 2.825212 2.349300 
1 1 1  -25   25   10 o   16.056   1.3789  259.248   42.782  231.460   60.475  287.088   60.532   15.164   2.0544   16.948   1.8399 -1.784280 2.757870 
1 1 1  -25   25   11 o   25.765   0.9029  653.388   45.139  678.207   64.833  630.039   62.884   26.241   1.2728   25.290   1.2810 0.9514008 1.805761 
1 1 1  -25   25   12 o   7.9552   1.9895   55.784   41.248   12.732   61.357   91.285   55.717   6.6309   2.7937   9.2795   2.8333 -2.648673 3.978974 
1 1 1  -25   25   13 o   7.8271   2.2591   32.024   48.099   60.390   96.024   22.524   55.573   9.0082   3.6105   6.6460   2.7163 2.362176 4.518151 
1 1 1  -25   25   14 o   41.106   0.9194  1659.11   64.885  1694.59  125.926  1646.29   75.709   41.229   1.5734   40.982   0.9517 0.2474480 1.838841 
1 1 1  -25   25   15 o   18.727   1.5748  358.670   53.993  366.059   93.351  354.956   66.187   18.697   2.5721   18.757   1.8177 -0.6091309E-01 3.149604 
1 1 1  -25   26    1 o   13.978   1.9492  210.774   51.169  249.386   69.276  164.422   75.903   15.685   2.2753   12.272   3.1655 3.413104 3.898423 
1 1 1  -25   26    2 o   34.132   0.8336  1144.10   55.047  1145.39   74.901  1142.58   81.172   34.170   1.1292   34.095   1.2264 0.7442474E-01 1.667133 
1 1 1  -25   26    3 o   25.857   1.0398  659.391   51.823  650.699   69.120  670.550   78.316   25.688   1.3861   26.026   1.5502 -0.3376884 2.079526 
1 1 1  -25   26    4 o   5.2247   1.7360 -74.6337   46.927 -24.7634   62.996 -136.8068   70.339   5.8486   2.6344   4.6008   2.2617 1.247792 3.472069 
1 1 1  -25   26    5 o   11.137   2.0478  132.375   44.404  124.801   59.019  142.255   67.409   10.797   2.7944   11.477   2.9942 -0.6809263 4.095581 
1 1 1  -25   26    6 o   7.5642   2.1354   35.518   47.122   26.911   63.302   46.214   70.571   7.1464   2.9074   7.9821   3.1283 -0.8356686 4.270765 
1 1 1  -25   26    7 o   26.986   0.9739  719.298   50.874  657.567   71.863  781.320   72.032   25.805   1.4346   28.167   1.3174 -2.361391 1.947746 
1 1 1  -25   26    8 o   19.022   1.2839  359.514   47.296  331.440   64.499  392.168   69.560   18.220   1.8237   19.824   1.8076 -1.603842 2.567733 
1 1 1  -25   26    9 o   8.5589   2.0044   57.130   44.839  -9.9137   61.862  131.343   65.085   6.1031   2.6878   11.015   2.9743 -4.911661 4.008810 
1 1 1  -25   26   10 o   13.279   1.8002  189.950   44.623  231.229   60.705  141.425   65.817   15.143   2.0652   11.415   2.9493 3.727742 3.600436 
1 1 1  -25   26   11 o   8.0150   2.0575   55.935   43.195   85.229   59.017   22.139   63.391   9.0521   2.9372   6.9778   2.8819 2.074283 4.114944 
1 1 1  -25   26   12 o   25.324   0.9217  633.254   45.291  624.620   64.702  641.549   63.419   25.148   1.3254   25.501   1.2811 -0.3530083 1.843382 
1 1 1  -25   26   13 o   30.358   1.0570  916.748   55.617  913.575  105.572  917.968   65.434   30.160   1.8032   30.555   1.1032 -0.3955269 2.113930 
1 1 1  -25   26   14 o   25.700   1.2253  644.951   52.750  701.006  107.590  627.212   60.524   26.203   2.1152   25.198   1.2374 1.004898 2.450576 
1 1 1  -25   26   15 o   8.6100   2.2661   11.628   51.778  167.389  100.026 -45.3870   60.517   11.973   3.8175   5.2473   2.4428 6.725516 4.532220 
1 1 1  -25   27    1 o   16.829   1.6146  288.910   52.134  296.628   69.331  278.867   79.086   17.152   2.0823   16.506   2.4682 0.6459007 3.229259 
1 1 1  -25   27    2 o   17.159   1.4901  297.015   49.619  301.407   69.734  292.511   70.618   17.297   2.0769   17.021   2.1373 0.2755165 2.980166 
1 1 1  -25   27    3 o   8.4104   2.1983   62.688   47.381   57.024   64.246   69.442   70.157   8.1241   3.0328   8.6968   3.1831 -0.5726795 4.396603 
1 1 1  -25   27    4 o   10.820   2.1009  126.072   45.165  125.142   59.683  127.318   69.091   10.792   2.8183   10.847   3.1163 -0.5496216E-01 4.201700 
1 1 1  -25   27    5 o   13.468   1.8466  191.723   46.925  212.941   63.977  167.017   69.035   14.491   2.2743   12.445   2.9098 2.046595 3.693153 
1 1 1  -25   27    6 o   16.375   1.6329  284.918   48.364  352.814   66.110  206.740   70.939   18.799   1.8116   13.951   2.7172 4.848019 3.265795 
1 1 1  -25   27    7 o   20.326   1.2711  417.163   49.514  456.988   67.236  369.972   73.190   21.453   1.6145   19.199   1.9638 2.253601 2.542291 
1 1 1  -25   27    8 o   29.747   0.8590  872.174   49.374  892.648   67.165  848.102   72.830   30.148   1.1477   29.345   1.2785 0.8032913 1.718072 
1 1 1  -25   27    9 o   12.232   1.9259  154.309   46.154  101.980   61.676  220.911   69.581   9.7766   2.9800   14.688   2.4405 -4.911002 3.851807 
1 1 1  -25   27   10 o   22.222   1.1103  494.521   47.354  573.197   66.598  414.065   67.347   24.069   1.4254   20.374   1.7028 3.694794 2.220676 
1 1 1  -25   27   11 o   9.7481   2.0587   96.619   42.757   64.220   56.266  140.896   65.776   8.1424   2.8666   11.354   2.9556 -3.211349 4.117383 
1 1 1  -25   27   12 o   27.031   0.9218  723.190   48.281  755.383   67.369  689.196   69.228   27.668   1.2543   26.393   1.3512 1.274593 1.843679 
1 1 1  -25   27   13 o   24.715   1.3045  592.112   54.980  667.074  110.044  567.176   63.469   25.509   2.2223   23.921   1.3669 1.588495 2.609029 
1 1 1  -25   27   14 o   17.501   1.5146  277.707   48.246  436.086   89.079  211.964   57.393   20.586   2.2291   14.415   2.0510 6.171082 3.029120 
1 1 1  -25   28    1 o   35.824   0.8435  1266.78   58.022  1295.90   77.148  1228.87   88.038   36.337   1.0937   35.311   1.2844 1.026215 1.686974 
1 1 1  -25   28    2 o   21.604   1.2259  469.720   50.707  496.707   67.685  435.197   76.554   22.374   1.5584   20.835   1.8928 1.538961 2.451855 
1 1 1  -25   28    3 o   43.497   0.7349  1856.56   61.827  1881.83   84.245  1827.06   91.020   43.838   0.9900   43.156   1.0865 0.6815567 1.469889 
1 1 1  -25   28    4 o   16.849   1.4580  286.879   47.519  310.770   66.796  262.398   67.615   17.592   1.9560   16.105   2.1627 1.486797 2.916018 
1 1 1  -25   28    5 o   7.4152   2.0770   26.757   45.892  -7.3465   61.184   70.622   69.389   6.1260   2.6861   8.7044   3.1687 -2.578404 4.153992 
1 1 1  -25   28    6 o   15.963   1.4951  256.642   46.122  225.218   63.561  291.589   67.029   14.909   2.1962   17.017   2.0292 -2.107622 2.990137 
1 1 1  -25   28    7 o   21.754   1.1311  470.236   47.642  514.959   68.109  427.387   66.666   22.786   1.5398   20.723   1.6572 2.062765 2.262194 
1 1 1  -25   28    8 o   19.010   1.2985  358.283   47.666  315.870   64.027  411.015   71.392   17.754   1.8578   20.267   1.8147 -2.512754 2.597034 
1 1 1  -25   28    9 o   29.860   0.8521  882.925   49.009  932.794   66.579  823.950   72.403   30.816   1.1130   28.904   1.2904 1.912685 1.704114 
1 1 1  -25   28   10 o   6.9643   2.0329   22.722   44.486   21.480   60.794   24.153   65.268   6.8361   2.8228   7.0924   2.9264 -0.2562799 4.065895 
1 1 1  -25   28   11 f   24.637   0.9822  601.811   46.872  648.437   66.437  555.604   66.137   25.606   1.3366   23.667   1.4396 1.938841 1.964377 
1 1 1  -25   28   12 o   33.466   0.7666  1101.48   49.564  1101.68   66.921  1101.24   73.766   33.491   1.0293   33.442   1.1363 0.4985046E-01 1.533232 
1 1 1  -25   28   13 o   17.280   1.8785  299.934   54.385  358.175  107.706  280.004   63.007   17.951   3.2086   16.608   1.9543 1.343163 3.756949 
1 1 1  -25   29    1 o   24.622   1.1272  603.012   53.783  600.419   73.850  605.940   78.481   24.583   1.5476   24.661   1.6394 -0.7798386E-01 2.254458 
1 1 1  -25   29    2 o   27.715   0.9754  766.431   51.942  837.146   70.969  684.849   76.227   29.148   1.2543   26.281   1.4942 2.866671 1.950843 
1 1 1  -25   29    3 o   10.307   2.0946  116.930   46.750  156.488   62.143   65.350   70.960   12.068   2.7180   8.5453   3.1879 3.523009 4.189276 
1 1 1  -25   29    4 f   14.044   1.8060  206.286   47.877  207.979   64.473  204.204   71.485   14.277   2.3263   13.810   2.7630 0.4670591 3.611949 
1 1 1  -25   29    5 o   27.790   0.9681  766.211   51.909  800.641   70.687  725.912   76.474   28.502   1.2776   27.078   1.4549 1.423822 1.936273 
1 1 1  -25   29    6 o   7.3134   2.0587   21.116   46.207 -20.7687   62.040   73.297   69.247   5.8559   2.6280   8.7708   3.1696 -2.914929 4.117367 
1 1 1  -25   29    7 o   7.6048   2.0920   35.357   46.191  -0.0489   63.186   75.996   67.694   6.3818   2.7648   8.8278   3.1403 -2.446024 4.183946 
1 1 1  -25   29    8 o   9.8538   2.1599  103.826   45.810   90.105   64.169  118.088   65.420   9.2895   3.0651   10.418   3.0439 -1.128455 4.319754 
1 1 1  -25   29    9 o   15.174   1.5901  240.765   44.201  173.435   61.773  311.406   63.273   12.743   2.5856   17.605   1.8514 -4.862303 3.180129 
1 1 1  -25   29   10 o   14.436   1.6459  222.395   43.609  267.474   59.670  170.714   63.890   16.294   1.8866   12.578   2.6976 3.715754 3.291888 
1 1 1  -25   29   11 o   20.419   1.1432  415.276   45.112  472.735   65.672  363.938   62.075   21.775   1.5537   19.064   1.6774 2.711111 2.286431 
1 1 1  -25   29   12 o   11.374   1.9700  159.283   50.283   27.025   86.240  227.401   61.891   7.8435   3.3088   14.904   2.1393 -7.060487 3.940083 
1 1 1  -25   29   13 o   8.6455   2.3816   60.900   50.614   77.366  105.600   55.989   57.669   9.4994   3.7937   7.7915   2.8803 1.707896 4.763251 
1 1 1  -25   30    1 o   16.323   1.8139  293.532   52.891  374.169   71.702  197.285   78.335   19.267   1.9171   13.379   3.0800 5.888124 3.627897 
1 1 1  -25   30    2 o   23.029   1.1987  536.624   52.843  597.763   72.102  465.675   77.671   24.531   1.5142   21.527   1.8587 3.003973 2.397391 
1 1 1  -25   30    3 o   8.1874   2.1011   51.203   45.406   10.502   60.443  103.924   68.792   6.5158   2.7605   9.8589   3.1682 -3.343067 4.202154 
1 1 1  -25   30    4 o   36.476   0.7981  1307.06   56.312  1298.85   76.422  1316.82   83.295   36.369   1.0825   36.583   1.1729 -0.2138977 1.596112 
1 1 1  -25   30    5 o   7.0364   2.0463   14.429   47.774   56.573   65.430 -33.6961   69.919   8.0923   3.0527   5.9805   2.7260 2.111804 4.092649 
1 1 1  -25   30    6 o   30.606   0.8791  923.431   52.224  935.436   73.767  911.368   73.945   30.809   1.2335   30.403   1.2530 0.4062557 1.758210 
1 1 1  -25   30    7 o   24.485   1.0226  588.556   48.236  496.637   65.068  700.699   71.871   22.364   1.4988   26.605   1.3916 -4.241558 2.045271 
1 1 1  -25   30    8 o   8.9365   2.1229   79.463   45.743  115.700   63.597   40.621   65.843   10.295   2.9993   7.5782   3.0053 2.716535 4.245872 
1 1 1  -25   30    9 o   29.471   0.8768  857.346   50.123  862.758   69.717  851.556   72.112   29.577   1.2143   29.364   1.2651 0.2125416 1.753550 
1 1 1  -25   30   10 o   14.876   1.6329  235.645   44.739  271.204   60.496  192.721   66.467   16.380   1.9026   13.372   2.6543 3.008268 3.265765 
1 1 1  -25   30   11 o   20.352   1.1608  415.140   45.815  437.592   65.001  392.975   64.584   20.914   1.6011   19.789   1.6813 1.125141 2.321668 
1 1 1  -25   30   12 o   8.5671   2.3328   9.9771   52.123  161.719  106.967 -37.2718   59.689   11.783   3.9593   5.3507   2.4683 6.432735 4.665683 
1 1 1  -25   31    1 o   29.866   0.9444  884.416   54.620  906.174   75.264  860.207   79.390   30.278   1.2805   29.454   1.3886 0.8246841 1.888875 
1 1 1  -25   31    2 o   22.340   1.1650  503.803   49.743  534.437   66.203  464.084   75.382   23.193   1.4705   21.486   1.8074 1.706736 2.329979 
1 1 1  -25   31    3 o   14.382   1.8772  223.223   50.218  246.676   66.779  192.699   76.185   15.538   2.2140   13.226   3.0321 2.311675 3.754393 
1 1 1  -25   31    4 o   6.2944   1.9495 -29.8687   48.172 -84.6878   64.814   37.783   72.002   4.8919   2.3493   7.6969   3.1117 -2.805025 3.898994 
1 1 1  -25   31    5 f   14.971   1.6389  231.773   45.769  182.245   62.566  288.791   67.130   13.066   2.5583   16.875   2.0493 -3.809101 3.277880 
1 1 1  -25   31    6 o   8.1226   2.1440   54.261   47.362   89.034   66.521   18.513   67.448   9.2401   3.1222   7.0051   2.9390 2.234995 4.287903 
1 1 1  -25   31    7 o   16.547   1.5000  280.177   47.921  298.484   66.079  259.868   69.599   17.169   1.9827   15.925   2.2514 1.244305 2.999961 
1 1 1  -25   31    8 o   24.206   1.0949  579.829   51.251  521.930   69.289  649.772   76.156   22.877   1.5603   25.536   1.5364 -2.658831 2.189722 
1 1 1  -25   31    9 o   17.129   1.4574  303.720   47.206  230.086   67.136  375.722   66.388   14.934   2.3159   19.323   1.7699 -4.389191 2.914765 
1 1 1  -25   31   10 o   16.341   1.5118  277.342   45.269  364.738   65.772  198.672   62.402   19.024   1.7810   13.657   2.4435 5.366745 3.023671 
1 1 1  -25   31   11 o   12.786   2.3330  180.673   53.872  196.298  103.331  174.840   63.131   12.878   3.8421   12.693   2.6478 0.1849222 4.666086 
1 1 1  -25   32    1 f   24.274   1.3823  612.081   62.661  536.502   99.381  661.952   80.730   22.833   2.2422   25.716   1.6172 -2.882315 2.764570 
1 1 1  -25   32    2 o   20.530   1.4689  428.106   58.218  446.046   87.697  413.971   77.845   20.870   2.1647   20.189   1.9863 0.6809406 2.937879 
1 1 1  -25   32    3 o   5.4149   1.8009 -64.0485   49.028 -39.6085   66.240 -93.6597   72.912   5.6573   2.6064   5.1724   2.4861 0.4848347 3.601897 
1 1 1  -25   32    4 o   17.035   1.5113  303.325   48.484  369.186   66.951  230.697   70.306   19.150   1.8010   14.921   2.4273 4.229067 3.022526 
1 1 1  -25   32    5 o   11.517   2.0957  144.791   47.158  122.741   63.377  172.145   70.588   10.549   2.9694   12.484   2.9581 -1.935637 4.191336 
1 1 1  -25   32    6 o   29.263   0.9382  856.946   52.522  912.971   70.135  785.404   79.254   30.422   1.1876   28.105   1.4527 2.317329 1.876380 
1 1 1  -25   32    7 o   7.9557   2.1638   53.200   47.247   62.106   65.118   43.300   68.659   8.2058   3.0553   7.7056   3.0648 0.5002003 4.327539 
1 1 1  -25   32    8 o   20.344   1.2287  413.936   48.378  375.823   65.788  458.813   71.387   19.323   1.7539   21.365   1.7213 -2.041191 2.457442 
1 1 1  -25   32    9 o   8.7570   2.0327   73.037   44.757   13.046   64.170  129.866   62.456   6.6880   2.8395   10.826   2.9095 -4.137856 4.065483 
1 1 1  -25   33    1 o   25.073   1.4481  645.941   69.852  724.462   97.445  562.944  100.184   26.750   1.8766   23.396   2.2059 3.353645 2.896151 
1 1 1  -25   33    2 o   13.360   2.4226  200.365   64.357  142.711   86.367  272.347   96.504   11.191   3.5451   15.530   3.3028 -4.338943 4.845254 
1 1 1  -25   33    3 o   22.078   1.5477  497.761   65.576  481.864   85.974  519.874  101.399   21.740   2.0373   22.415   2.3303 -0.6757336 3.095319 
1 1 1  -25   33    4 f   8.6038   2.2508   66.158   50.942  100.731   74.665   36.050   69.679   9.6897   3.3076   7.5179   3.0535 2.171795 4.501606 
1 1 1  -25   33    5 o   11.750   2.2525  150.529   51.952  187.589   82.870  126.532   66.683   12.842   3.3049   10.658   3.0615 2.184750 4.505013 
1 1 1  -25   33    6 o   5.5160   1.8594 -86.1258   53.936 -59.2761   83.487 -105.3593   70.661   6.1239   2.8571   4.9080   2.3804 1.215982 3.718754 
1 1 1  -25   33    7 o   10.918   2.3367  133.656   53.230  138.707   82.807  130.099   69.490   11.056   3.4672   10.780   3.1335 0.2755928 4.673419 
1 1 1  -24    0    1 o   47.854   1.0197  2226.83   94.291  2342.08  139.540  2129.99  127.912   48.988   1.4704   46.721   1.4133 -0.000000 0.000000 
1 1 1  -24    0    2 o   54.518   1.0025  2898.56  105.862  2880.66  152.259  2915.30  147.288   54.350   1.4455   54.686   1.3895 -0.000000 0.000000 
1 1 1  -24    0    3 o   66.543   1.0301  4307.30  132.778  4490.95  193.232  4143.02  182.759   67.884   1.4679   65.202   1.4456 -0.000000 0.000000 
1 1 1  -24    0    4 o   5.6092   2.5201 -26.1137   64.915   64.202   94.513 -106.7666   89.314   7.1963   4.1638   4.0220   2.8399 -0.000000 0.000000 
1 1 1  -24    0    5 o   11.436   2.5452  160.845   65.406  298.898   94.507   33.933   90.613   16.562   3.3132   6.3098   3.8647 -0.000000 0.000000 
1 1 1  -24    0    6 o   5.2299   2.4542 -24.9624   66.403  -7.7602   91.587 -44.0257   96.414   5.4484   3.5533   5.0113   3.3862 -0.000000 0.000000 
1 1 1  -24    0    7 o   8.9612   3.0668  115.557   63.966  144.195   90.618   87.116   90.306   10.074   4.4280   7.8488   4.2442 -0.000000 0.000000 
1 1 1  -24    0    8 o   50.747   0.9580  2511.46   94.197  2574.72  133.186  2448.14  133.245   51.391   1.3371   50.103   1.3723 -0.000000 0.000000 
1 1 1  -24    0    9 o   22.676   1.5533  516.414   66.870  522.784   93.635  509.782   95.532   22.837   2.1564   22.516   2.2364 -0.000000 0.000000 
1 1 1  -24    0   10 o   43.118   0.9699  1821.04   80.693  1911.39  111.364  1721.17  117.085   44.264   1.2986   41.972   1.4409 -0.000000 0.000000 
1 1 1  -24    0   11 o   36.310   1.0878  1295.30   76.088  1359.64  105.171  1224.63  110.217   37.280   1.4583   35.339   1.6143 -0.000000 0.000000 
1 1 1  -24    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -24    0   13 o   51.553   0.9847  2593.14   98.171  2576.91  134.326  2611.74  143.829   51.388   1.3487   51.717   1.4352 -0.000000 0.000000 
1 1 1  -24    0   14 o   71.663   1.0439  5011.13  144.948  4953.24  200.339  5074.72  209.976   71.236   1.4501   72.091   1.5019 -0.000000 0.000000 
1 1 1  -24    0   15 o   5.5628   3.5448   11.006   84.504   11.006   84.504   0.0000   0.0000   5.5628   3.5448   5.5628   3.5448 -0.000000 0.000000 
1 1 1  -24    0   16 o   24.629   2.0333  607.187   95.688  607.187   95.688   0.0000   0.0000   24.629   2.0333   24.629   2.0333 -0.000000 0.000000 
1 1 1  -24    0   17 o   21.335   2.1840  461.754   88.279  461.754   88.279   0.0000   0.0000   21.335   2.1840   21.335   2.1840 -0.000000 0.000000 
1 1 1  -24    0   18 o   10.824   4.2837  162.898   86.678  162.898   86.678   0.0000   0.0000   10.824   4.2837   10.824   4.2837 -0.000000 0.000000 
1 1 1  -24    0   19 o   6.4069   3.8290   47.844   84.484   47.844   84.484   0.0000   0.0000   6.4069   3.8290   6.4069   3.8290 -0.000000 0.000000 
1 1 1  -24    0   20 o   22.585   2.1749  518.040   93.321  518.040   93.321   0.0000   0.0000   22.585   2.1749   22.585   2.1749 -0.000000 0.000000 
1 1 1  -24    0   21 o   8.9979   4.4066  125.445   91.244  125.445   91.244   0.0000   0.0000   8.9979   4.4066   8.9979   4.4066 -0.000000 0.000000 
1 1 1  -24    0   22 o   16.925   3.4416  323.564  100.063  323.564  100.063   0.0000   0.0000   16.925   3.4416   16.925   3.4416 -0.000000 0.000000 
1 1 1  -24    0   23 o   14.811   4.0334  270.661  100.246  270.661  100.246   0.0000   0.0000   14.811   4.0334   14.811   4.0334 -0.000000 0.000000 
1 1 1  -24    1    1 o   34.736   0.8203  1169.48   55.173  1276.10   81.324  1078.56   75.100   36.196   1.1574   33.276   1.1626 2.919853 1.640522 
1 1 1  -24    1    2 o   23.387   1.1190  534.188   50.797  529.634   71.412  538.852   72.272   23.286   1.5798   23.487   1.5851 -0.2012787 2.237982 
1 1 1  -24    1    3 o   74.140   0.7570  5350.31  108.953  5350.13  154.059  5350.50  154.107   74.139   1.0705   74.141   1.0708 -0.2479553E-02 1.514087 
1 1 1  -24    1    4 o   26.408   0.9838  681.821   50.300  636.138   71.924  725.554   70.372   25.535   1.4510   27.282   1.3288 -1.747007 1.967545 
1 1 1  -24    1    5 o   47.273   0.6878  2174.04   63.112  2177.34   89.640  2170.79   88.872   47.308   0.9761   47.237   0.9692 0.7041550E-01 1.375553 
1 1 1  -24    1    6 o   42.992   0.6933  1799.30   57.738  1815.09   79.331  1781.51   84.192   43.196   0.9461   42.787   1.0137 0.4085655 1.386580 
1 1 1  -24    1    7 o   40.863   0.7051  1624.25   55.920  1590.92   78.183  1659.16   80.016   40.434   0.9961   41.292   0.9983 -0.8578911 1.410210 
1 1 1  -24    1    8 o   22.564   1.1130  503.846   47.656  629.810   67.751  380.494   67.045   25.409   1.3736   19.718   1.7516 5.690651 2.225958 
1 1 1  -24    1    9 o   23.883   1.0170  556.732   47.138  574.402   67.190  539.606   66.148   24.257   1.4269   23.509   1.4495 0.7483673 2.034016 
1 1 1  -24    1   10 o   26.452   0.9356  682.299   47.876  608.509   66.622  761.100   68.847   24.968   1.3746   27.935   1.2696 -2.967194 1.871173 
1 1 1  -24    1   11 o   38.051   0.7184  1407.84   53.022  1489.01   76.535  1332.93   73.525   39.105   1.0082   36.997   1.0238 2.108112 1.436884 
1 1 1  -24    1   12 o   47.574   0.6713  2203.67   61.983  2145.60   87.613  2261.85   87.701   46.944   0.9614   48.203   0.9373 -1.258747 1.342699 
1 1 1  -24    1   13 o   55.813   0.6837  3033.15   74.025  3053.27  106.880  3014.60  102.625   55.988   0.9834   55.639   0.9502 0.3492088 1.367463 
1 1 1  -24    1   14 o   25.179   0.9606  621.300   46.819  602.165   68.207  638.349   64.382   24.803   1.4166   25.555   1.2979 -0.7515945 1.921272 
1 1 1  -24    1   15 o   48.522   0.9374  2304.61   88.260  2300.58  123.204  2308.86  126.498   48.483   1.3091   48.560   1.3420 -0.7691193E-01 1.874709 
1 1 1  -24    1   16 o   45.877   0.9496  2062.68   84.543  2129.53  120.348  1997.56  118.790   46.615   1.3300   45.139   1.3557 1.476055 1.899177 
1 1 1  -24    1   17 f   24.833   1.3286  614.055   63.603  531.585   89.802  697.062   90.095   23.118   2.0011   26.549   1.7482 -3.430998 2.657207 
1 1 1  -24    1   18 o   11.699   2.4647  146.172   60.220  138.947   85.772  153.196   84.568   11.446   3.5189   11.951   3.4519 -0.5046787 4.929324 
1 1 1  -24    1   19 o   20.423   1.6240  423.164   63.914  460.247   88.218  382.195   92.726   21.426   2.1210   19.419   2.4599 2.007620 3.248041 
1 1 1  -24    1   20 o   9.3195   2.5126   72.897   63.679   51.190   90.067   94.592   90.043   8.7189   3.4959   9.9202   3.6099 -1.201328 5.025208 
1 1 1  -24    1   21 o   8.6156   2.4840   45.918   65.524   41.925   94.740   49.580   90.721   8.5822   3.5315   8.6490   3.4942 -0.6675434E-01 4.968039 
1 1 1  -24    1   22 f   14.726   2.3879  243.653   69.818  323.540   98.171  161.894   99.314   17.510   2.8882   11.943   3.8035 5.567143 4.775816 
1 1 1  -24    1   23 o   12.545   2.5786  177.035   72.305  275.413  104.304   86.024  100.322   15.466   3.5494   9.6238   3.7414 5.842484 5.157168 
1 1 1  -24    2    1 o   36.071   0.8046  1267.67   56.314  1295.95   79.185  1238.73   80.103   36.480   1.1182   35.662   1.1571 0.8184929 1.609129 
1 1 1  -24    2    2 o   71.944   0.7463  5037.54  104.207  5064.12  148.749  5011.92  146.032   72.129   1.0624   71.759   1.0483 0.3700027 1.492546 
1 1 1  -24    2    3 o   60.073   0.7054  3511.35   82.263  3499.79  116.270  3522.95  116.405   59.974   0.9987   60.172   0.9966 -0.1984711 1.410881 
1 1 1  -24    2    4 o   68.479   0.7287  4562.95   96.865  4517.58  136.168  4609.43  137.824   68.134   1.0295   68.823   1.0316 -0.6887970 1.457474 
1 1 1  -24    2    5 o   26.474   0.9359  684.038   48.032  661.356   68.969  705.400   66.931   26.043   1.3642   26.904   1.2816 -0.8605137 1.871797 
1 1 1  -24    2    6 o   30.078   0.8795  883.859   51.199  840.429   74.099  923.535   70.824   29.363   1.3000   30.792   1.1849 -1.428696 1.758960 
1 1 1  -24    2    7 o   16.509   1.4979  268.510   47.145  336.266   68.246  206.657   65.205   18.527   1.8976   14.491   2.3181 4.035907 2.995719 
1 1 1  -24    2    8 o   12.145   1.9726  152.092   45.515  145.433   65.846  158.184   62.984   11.876   2.8848   12.414   2.6912 -0.5380173 3.945192 
1 1 1  -24    2    9 o   42.163   0.7076  1730.41   57.912  1734.67   81.572  1726.08   82.230   42.216   0.9954   42.110   1.0060 0.1059113 1.415193 
1 1 1  -24    2   10 o   24.679   0.9938  594.309   47.259  695.444   68.362  501.733   65.405   26.698   1.3191   22.661   1.4869 4.037071 1.987643 
1 1 1  -24    2   11 o   22.826   1.0737  509.375   47.573  515.990   67.604  502.885   66.956   22.974   1.5159   22.679   1.5209 0.2941475 2.147351 
1 1 1  -24    2   12 o   47.333   0.6777  2180.83   62.253  2245.36   88.675  2118.13   87.415   48.025   0.9512   46.642   0.9655 1.382587 1.355339 
1 1 1  -24    2   13 o   47.799   0.6856  2224.70   63.605  2250.20   91.051  2200.39   88.891   48.065   0.9759   47.532   0.9634 0.5328865 1.371291 
1 1 1  -24    2   14 o   39.910   0.7360  1553.04   56.986  1625.92   81.090  1481.92   80.102   40.838   1.0229   38.982   1.0586 1.856499 1.472021 
1 1 1  -24    2   15 o   14.893   2.2171  233.942   62.048  252.282   86.405  214.415   89.158   15.559   2.9692   14.227   3.2934 1.332104 4.434273 
1 1 1  -24    2   16 o   27.962   1.2241  766.906   65.953  908.044   97.050  645.789   89.903   30.360   1.6467   25.564   1.8117 4.796549 2.448255 
1 1 1  -24    2   17 o   10.653   2.5140  114.620   62.445  144.957   84.991   79.032   92.053   11.667   3.4853   9.6393   3.6240 2.028106 5.028008 
1 1 1  -24    2   18 o   40.184   0.9954  1588.24   77.576  1657.64  109.399  1518.05  110.021   41.080   1.3719   39.287   1.4426 1.792484 1.990805 
1 1 1  -24    2   19 o   14.125   2.3153  215.950   62.201  211.769   86.025  220.531   90.044   13.995   3.2318   14.255   3.3165 -0.2595940 4.630683 
1 1 1  -24    2   20 o   13.538   2.4207  202.984   64.249  237.774   90.187  167.132   91.552   14.779   3.2335   12.297   3.6032 2.482100 4.841314 
1 1 1  -24    2   21 o   10.307   2.4972  103.331   64.234   41.447   90.890  165.084   90.793   8.4543   3.4666   12.160   3.5954 -3.705847 4.994424 
1 1 1  -24    2   22 o   20.063   1.7757  417.183   68.980  385.756   97.740  448.368   97.364   19.257   2.6147   20.870   2.4034 -1.612713 3.551434 
1 1 1  -24    2   23 o   21.560   1.7990  487.165   75.158  469.940  108.082  503.293  104.585   21.134   2.6346   21.986   2.4505 -0.8523731 3.598044 
1 1 1  -24    3    1 o   39.250   0.7457  1499.58   56.815  1511.73   80.707  1487.64   79.994   39.407   1.0550   39.092   1.0542 0.3151474 1.491430 
1 1 1  -24    3    2 o   25.150   1.0441  618.950   50.839  658.777   71.094  577.272   72.727   25.986   1.4094   24.314   1.5409 1.672659 2.088239 
1 1 1  -24    3    3 o   14.256   1.7412  204.212   46.897  182.578   66.688  225.377   65.962   13.370   2.6630   15.142   2.2440 -1.772000 3.482422 
1 1 1  -24    3    4 o   35.240   0.7848  1208.79   53.643  1202.98   74.295  1215.12   77.533   35.154   1.0887   35.326   1.1306 -0.1729012 1.569615 
1 1 1  -24    3    5 o   33.852   0.8135  1116.97   53.098  1107.07   79.675  1124.89   71.219   33.710   1.2176   33.994   1.0793 -0.2836456 1.627046 
1 1 1  -24    3    6 o   24.042   1.0685  564.823   49.818  548.972   71.417  579.847   69.527   23.710   1.5517   24.375   1.4694 -0.6652966 2.137045 
1 1 1  -24    3    7 o   14.721   1.6992  218.680   46.900  185.915   67.165  249.859   65.519   13.491   2.6592   15.951   2.1160 -2.460129 3.398314 
1 1 1  -24    3    8 o   18.088   1.3731  322.492   47.021  418.551   68.287  235.883   64.841   20.685   1.7007   15.491   2.1562 5.193240 2.746233 
1 1 1  -24    3    9 o   37.149   0.7439  1343.96   53.633  1308.46   75.824  1379.50   75.873   36.657   1.0656   37.642   1.0384 -0.9849739 1.487832 
1 1 1  -24    3   10 o   25.170   0.9503  618.419   46.415  602.503   65.763  634.217   65.518   24.845   1.3636   25.495   1.3239 -0.6495991 1.900513 
1 1 1  -24    3   11 o   7.4167   1.9471   15.776   44.011 -56.7235   61.783   90.462   62.708   5.2713   2.4588   9.5620   3.0199 -4.290688 3.894261 
1 1 1  -24    3   12 o   18.419   1.2903  333.633   46.041  346.924   63.997  319.374   66.286   18.808   1.7529   18.030   1.8939 0.7778015 2.580552 
1 1 1  -24    3   13 o   37.399   0.7469  1365.81   54.118  1293.68   77.477  1434.54   75.626   36.427   1.0957   38.371   1.0153 -1.944069 1.493771 
1 1 1  -24    3   14 o   41.415   0.7166  1672.14   57.610  1684.35   81.505  1659.95   81.441   41.567   1.0101   41.264   1.0167 0.3032837 1.433203 
1 1 1  -24    3   15 o   24.028   1.3570  568.002   63.146  621.446   92.768  521.860   86.199   25.080   1.9055   22.977   1.9326 2.103006 2.714003 
1 1 1  -24    3   16 o   50.228   0.9493  2467.11   92.420  2364.04  126.564  2584.87  135.275   49.112   1.3276   51.343   1.3573 -2.231335 1.898588 
1 1 1  -24    3   17 o   39.210   1.0064  1509.66   76.514  1484.83  105.377  1537.35  111.277   38.878   1.3963   39.541   1.4497 -0.6631317 2.012815 
1 1 1  -24    3   18 o   25.092   1.3512  625.143   65.319  528.563   90.508  730.123   94.363   23.035   2.0241   27.149   1.7905 -4.113909 2.702417 
1 1 1  -24    3   19 f   15.424   2.1302  253.219   61.482  259.047   88.061  247.676   85.877   15.600   3.0172   15.249   3.0080 0.3505020 4.260419 
1 1 1  -24    3   20 o   6.8179   2.1809 -38.0126   62.799 -77.4735   93.825  -5.9870   84.524   6.4190   3.0058   7.2168   3.1609 -0.7977576 4.361892 
1 1 1  -24    3   21 o   11.110   2.5433  129.789   65.515  186.398   93.478   75.138   91.848   12.880   3.5994   9.3398   3.5941 3.540116 5.086606 
1 1 1  -24    3   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -24    3   23 o   16.402   2.3344  301.284   72.883  341.515  102.367  259.924  103.793   17.835   2.9567   14.968   3.6133 2.866976 4.668817 
1 1 1  -24    4    1 o   21.949   1.1383  472.679   48.286  515.614   67.646  428.075   68.948   22.978   1.5166   20.920   1.6978 2.057470 2.276541 
1 1 1  -24    4    2 o   69.454   0.7306  4694.68   98.492  4645.36  138.717  4744.83  139.867   69.086   1.0344   69.822   1.0319 -0.7362366 1.461110 
1 1 1  -24    4    3 o   52.364   0.6907  2668.22   70.200  2705.61   98.956  2630.33   99.603   52.735   0.9667   51.993   0.9869 0.7414017 1.381431 
1 1 1  -24    4    4 o   55.562   0.6903  3003.50   74.450  2959.25  105.090  3048.10  105.489   55.150   0.9816   55.973   0.9709 -0.8232803 1.380654 
1 1 1  -24    4    5 o   59.518   0.6988  3446.52   80.729  3464.82  114.936  3428.70  113.414   59.673   0.9922   59.363   0.9842 0.3106308 1.397562 
1 1 1  -24    4    6 o   30.759   0.8569  919.241   51.007  1025.97   74.093  823.097   70.323   32.455   1.1761   29.063   1.2465 3.391691 1.713738 
1 1 1  -24    4    7 o   44.586   0.6955  1932.41   60.157  1991.84   86.896  1877.72   83.363   45.242   0.9894   43.929   0.9776 1.313793 1.390925 
1 1 1  -24    4    8 o   29.484   0.8618  846.411   49.296  884.842   70.848  810.343   68.635   30.133   1.2112   28.835   1.2262 1.297831 1.723558 
1 1 1  -24    4    9 o   33.466   0.7967  1091.27   51.734  1083.05   74.152  1099.06   72.211   33.341   1.1457   33.591   1.1074 -0.2498093 1.593449 
1 1 1  -24    4   10 o   49.757   0.6662  2409.81   64.335  2446.79   90.784  2372.50   91.185   50.142   0.9327   49.373   0.9514 0.7697334 1.332333 
1 1 1  -24    4   11 o   48.307   0.6753  2271.52   63.327  2262.67   89.460  2280.42   89.655   48.212   0.9559   48.401   0.9542 -0.1889954 1.350658 
1 1 1  -24    4   12 o   39.678   0.7035  1533.22   54.184  1534.34   76.313  1532.07   76.946   39.693   0.9904   39.663   0.9994 0.3064728E-01 1.407021 
1 1 1  -24    4   13 o   38.705   0.7340  1460.80   55.106  1519.49   77.762  1401.59   78.104   39.490   1.0144   37.920   1.0610 1.569855 1.467932 
1 1 1  -24    4   14 o   24.582   0.9917  591.574   47.288  621.357   67.228  562.407   66.529   25.198   1.3744   23.965   1.4301 1.233192 1.983459 
1 1 1  -24    4   15 o   49.001   0.9243  2354.30   87.737  2271.43  126.783  2430.47  121.542   48.156   1.3563   49.846   1.2561 -1.689491 1.848590 
1 1 1  -24    4   16 o   18.558   1.8860  356.509   63.386  239.121   87.711  484.826   91.703   15.049   3.1055   22.067   2.1408 -7.018239 3.771907 
1 1 1  -24    4   17 o   28.821   1.1904  820.520   66.589  837.179   94.280  803.938   94.063   29.118   1.6680   28.525   1.6988 0.5929794 2.380759 
1 1 1  -24    4   18 o   34.276   1.0394  1160.11   68.859  1105.06  100.663  1208.53   94.400   33.483   1.5487   35.069   1.3867 -1.585777 2.078820 
1 1 1  -24    4   19 o   18.877   1.7095  361.513   62.413  397.458   88.533  326.000   88.000   19.849   2.2977   17.904   2.5320 1.945181 3.419092 
1 1 1  -24    4   20 o   13.930   2.3758  214.119   63.543  227.390   87.590  199.375   92.323   14.452   3.2060   13.408   3.5070 1.043981 4.751629 
1 1 1  -24    4   21 o   13.866   2.2602  208.362   63.773  311.898   92.119  113.075   88.374   17.330   2.7383   10.403   3.5966 6.927195 4.520404 
1 1 1  -24    4   22 o   9.1644   2.5243   49.421   69.167  135.861  103.259 -20.9286   93.154   11.141   3.8857   7.1880   3.2234 3.952747 5.048613 
1 1 1  -24    4   23 f   14.628   2.5299  255.166   73.937  165.673  108.319  333.238  101.172   11.906   3.9843   17.350   3.1186 -5.443645 5.059704 
1 1 1  -24    5    1 o   38.745   0.7338  1461.54   55.172  1470.59   77.129  1452.07   78.953   38.869   1.0222   38.621   1.0531 0.2489128 1.467660 
1 1 1  -24    5    2 o   67.635   0.7310  4451.25   95.956  4371.70  134.422  4533.90  137.020   67.019   1.0333   68.251   1.0342 -1.231766 1.461927 
1 1 1  -24    5    3 o   77.881   0.7735  5905.20  116.935  5911.15  166.312  5899.38  164.445   77.919   1.0996   77.844   1.0883 0.7508850E-01 1.547039 
1 1 1  -24    5    4 o   19.868   1.2544  386.090   48.362  381.805   67.392  390.639   69.443   19.756   1.7573   19.980   1.7905 -0.2242737 2.508780 
1 1 1  -24    5    5 o   63.451   0.7048  3917.56   86.804  3914.93  122.761  3920.19  122.758   63.429   0.9970   63.472   0.9963 -0.4277420E-01 1.409510 
1 1 1  -24    5    6 o   48.267   0.6982  2266.32   65.378  2284.58   94.294  2249.43   90.726   48.452   1.0025   48.082   0.9720 0.3704262 1.396413 
1 1 1  -24    5    7 o   21.279   1.1678  441.944   48.046  450.984   71.513  434.506   64.867   21.471   1.7158   21.087   1.5847 0.3837051 2.335643 
1 1 1  -24    5    8 o   13.266   1.7940  179.171   44.919  146.219   64.408  210.374   62.676   11.909   2.8282   14.623   2.2080 -2.713825 3.588054 
1 1 1  -24    5    9 o   20.895   1.1357  426.903   46.043  429.082   66.277  424.871   64.010   20.944   1.6302   20.846   1.5818 0.9832191E-01 2.271496 
1 1 1  -24    5   10 o   25.500   0.9590  635.455   47.245  715.987   67.537  558.282   66.114   27.091   1.2842   23.909   1.4245 3.182896 1.917953 
1 1 1  -24    5   11 o   22.083   1.0620  476.475   45.511  462.568   63.471  491.193   65.294   21.751   1.5032   22.415   1.5006 -0.6631851 2.124049 
1 1 1  -24    5   12 o   26.226   0.9048  670.356   46.028  702.193   66.591  641.230   63.692   26.822   1.2790   25.631   1.2802 1.190851 1.809584 
1 1 1  -24    5   13 o   27.087   0.8951  717.270   46.977  666.114   66.349  768.692   66.521   26.112   1.3090   28.062   1.2212 -1.950460 1.790157 
1 1 1  -24    5   14 o   31.881   0.8091  991.594   50.054  1029.12   71.762  956.035   69.852   32.469   1.1386   31.293   1.1499 1.176018 1.618215 
1 1 1  -24    5   15 o   23.004   1.3585  525.583   60.179  501.042   89.688  545.680   81.161   22.483   2.0550   23.525   1.7773 -1.041925 2.716970 
1 1 1  -24    5   16 o   18.561   1.7876  346.302   63.961  401.893   92.396  295.151   88.630   20.029   2.3765   17.094   2.6710 2.934715 3.575189 
1 1 1  -24    5   17 f   29.181   1.1786  842.159   66.440  826.003   98.363  855.715   90.100   28.897   1.7536   29.465   1.5753 -0.5687027 2.357203 
1 1 1  -24    5   18 o   29.461   1.2022  858.435   68.745  851.464   97.684  865.276   96.762   29.338   1.7153   29.584   1.6849 -0.2467880 2.404388 
1 1 1  -24    5   19 o   21.393   1.5767  460.862   65.478  461.097   92.262  460.623   92.941   21.402   2.2208   21.385   2.2389 0.1730919E-01 3.153498 
1 1 1  -24    5   20 o   8.6847   2.4532   45.060   63.781   86.912   93.350   8.4152   87.350   9.7487   3.6525   7.6206   3.2760 2.128119 4.906411 
1 1 1  -24    5   21 o   15.879   2.1569  262.349   64.568  348.310  100.009  200.908   84.552   18.273   2.8194   13.485   3.2650 4.788668 4.313810 
1 1 1  -24    5   22 o   13.068   2.5316  199.320   67.673  148.759  102.695  238.127   89.971   11.515   3.8794   14.622   3.2537 -3.107099 5.063221 
1 1 1  -24    5   23 o   9.9765   2.7250   96.356   75.179   80.097  110.891  110.184  102.270   9.6693   3.8784   10.284   3.8289 -0.6143360 5.449978 
1 1 1  -24    6    1 o   16.599   1.5153  270.299   48.622  306.106   70.443  237.715   67.196   17.656   2.0554   15.543   2.2271 2.112534 3.030596 
1 1 1  -24    6    2 o   43.488   0.7279  1840.87   61.409  1840.31   88.427  1841.39   85.344   43.480   1.0477   43.497   1.0108 -0.1713943E-01 1.455781 
1 1 1  -24    6    3 o   40.844   0.7486  1624.90   59.301  1549.90   83.932  1699.65   83.796   39.899   1.0837   41.788   1.0330 -1.888954 1.497152 
1 1 1  -24    6    4 o   89.520   0.8424  7806.97  146.394  7795.16  207.403  7818.70  206.663   89.452   1.1944   89.588   1.1884 -0.1366653 1.684888 
1 1 1  -24    6    5 o   21.425   1.1731  453.223   47.868  559.160   68.196  350.341   67.206   23.935   1.4678   18.916   1.8302 5.018660 2.346108 
1 1 1  -24    6    6 o   58.755   0.6926  3356.18   78.938  3433.70  114.272  3285.42  109.174   59.401   0.9910   58.108   0.9679 1.293236 1.385235 
1 1 1  -24    6    7 o   57.471   0.6885  3212.36   76.788  3313.84  109.961  3115.78  107.278   58.356   0.9707   56.585   0.9767 1.771702 1.376998 
1 1 1  -24    6    8 o   23.429   1.0596  535.376   48.146  554.738   69.957  517.952   66.363   23.830   1.5123   23.029   1.4845 0.8009491 2.119194 
1 1 1  -24    6    9 o   50.519   0.6783  2483.89   66.517  2488.29   94.318  2479.54   93.823   50.563   0.9609   50.475   0.9576 0.8842087E-01 1.356585 
1 1 1  -24    6   10 o   54.290   0.6747  2866.47   71.057  2930.62  102.798  2807.76   98.331   54.870   0.9651   53.711   0.9431 1.158974 1.349426 
1 1 1  -24    6   11 o   36.419   0.7400  1292.40   52.282  1345.53   73.994  1239.43   73.882   37.169   1.0255   35.668   1.0671 1.500679 1.479979 
1 1 1  -24    6   12 o   51.966   0.8469  2673.49   79.414  2744.85   96.708  2525.73  139.156   53.097   0.9383   50.835   1.4102 2.262112 1.693794 
1 1 1  -24    6   13 o   43.362   0.6917  1832.06   58.215  1798.00   82.408  1865.99   82.248   42.958   0.9882   43.767   0.9681 -0.8081207 1.383400 
1 1 1  -24    6   14 o   27.938   0.8771  762.950   47.560  753.292   67.454  772.497   67.068   27.761   1.2517   28.116   1.2288 -0.3552437 1.754105 
1 1 1  -24    6   15 o   29.326   1.1384  843.394   64.678  882.008   95.170  810.253   88.167   29.941   1.6374   28.710   1.5820 1.230829 2.276824 
1 1 1  -24    6   16 o   19.193   1.6873  367.935   62.458  429.129   91.214  313.916   85.700   20.720   2.2678   17.667   2.4990 3.053190 3.374625 
1 1 1  -24    6   17 o   15.040   2.1603  245.265   61.135  180.269   91.875  296.913   81.899   12.910   3.5538   17.170   2.4572 -4.259751 4.320540 
1 1 1  -24    6   18 o   6.3579   2.0774 -79.5887   62.165 -11.7489   89.413 -143.0634   86.489   7.3673   3.2383   5.3484   2.6031 2.018932 4.154850 
1 1 1  -24    6   19 o   27.501   1.2558  748.167   66.881  810.638   98.678  695.084   90.962   28.556   1.7801   26.446   1.7719 2.110661 2.511664 
1 1 1  -24    6   20 o   8.9730   2.2892   53.325   58.331 -29.9530   81.837  139.323   83.163   6.6374   2.9949   11.309   3.4630 -4.671252 4.578418 
1 1 1  -24    6   21 f   22.784   1.5242  523.354   67.214  562.153   99.857  491.213   90.885   23.539   2.1854   22.029   2.1253 1.509386 3.048429 
1 1 1  -24    6   22 o   12.469   2.6088  179.356   71.774  104.720  105.377  243.944   98.028   10.277   3.8747   14.660   3.4942 -4.382326 5.217566 
1 1 1  -24    6   23 o   10.917   2.7330  129.304   73.500  169.867  106.821   92.833  101.289   12.029   3.9540   9.8054   3.7740 2.223999 5.466004 
1 1 1  -24    7    1 o   25.328   0.9802  628.639   47.982  666.272   66.205  587.002   69.638   26.137   1.3049   24.518   1.4632 1.619211 1.960481 
1 1 1  -24    7    2 o   43.883   0.7285  1874.33   62.051  1840.73   87.324  1908.61   88.190   43.485   1.0345   44.281   1.0260 -0.7955437 1.456986 
1 1 1  -24    7    3 o   13.401   1.9126  184.224   48.020  202.876   67.729  165.371   68.094   14.125   2.5645   12.676   2.8381 1.449618 3.825110 
1 1 1  -24    7    4 o   32.593   0.8326  1034.11   52.607  1049.03   76.646  1020.83   72.336   32.813   1.2033   32.374   1.1511 0.4386444 1.665216 
1 1 1  -24    7    5 o   18.453   1.3864  343.368   47.750  238.562   68.080  444.846   66.990   15.572   2.2521   21.334   1.6176 -5.761568 2.772860 
1 1 1  -24    7    6 o   35.076   0.7983  1198.36   54.345  1220.66   76.850  1176.05   76.860   35.403   1.1182   34.748   1.1395 0.6551552 1.596511 
1 1 1  -24    7    7 o   18.627   1.3100  338.530   47.261  316.937   64.313  363.880   69.685   17.985   1.8421   19.269   1.8630 -1.283901 2.619933 
1 1 1  -24    7    8 o   55.832   0.6851  3033.60   74.247  2982.17  104.598  3085.83  105.408   55.354   0.9734   56.310   0.9643 -0.9553108 1.370220 
1 1 1  -24    7    9 o   19.336   1.2563  371.403   45.919  473.407   65.498  272.802   64.396   22.007   1.5332   16.665   1.9906 5.341534 2.512587 
1 1 1  -24    7   10 o   66.887   0.7134  4356.38   92.624  4332.28  131.388  4380.19  130.597   66.702   1.0147   67.072   1.0031 -0.3702621 1.426825 
1 1 1  -24    7   11 o   23.474   1.0143  539.806   46.098  502.416   65.830  575.779   64.571   22.668   1.4961   24.281   1.3700 -1.613058 2.028576 
1 1 1  -24    7   12 o   46.813   0.6773  2134.75   61.501  2033.13   86.776  2237.32   87.178   45.690   0.9784   47.936   0.9369 -2.246338 1.354605 
1 1 1  -24    7   13 o   20.845   1.0988  425.534   44.432  447.865   63.662  404.323   62.044   21.380   1.5339   20.309   1.5737 1.070862 2.197616 
1 1 1  -24    7   14 o   16.775   1.3618  277.273   44.287  288.153   64.662  267.660   60.782   17.080   1.9502   16.469   1.9013 0.6114731 2.723638 
1 1 1  -24    7   15 o   28.168   1.1614  781.655   63.290  771.315   93.074  790.548   86.318   27.978   1.7138   28.359   1.5680 -0.3813763 2.322843 
1 1 1  -24    7   16 o   26.802   1.2351  713.841   63.850  660.265   93.307  761.022   87.562   25.819   1.8617   27.786   1.6234 -1.967066 2.470127 
1 1 1  -24    7   17 o   8.7286   2.4248   48.367   61.568   13.178   87.307   83.176   86.835   7.8192   3.3155   9.6379   3.5392 -1.818738 4.849575 
1 1 1  -24    7   18 o   21.400   1.5265  461.493   62.871  428.482   92.953  489.328   85.356   20.639   2.3201   22.160   1.9842 -1.521549 3.052922 
1 1 1  -24    7   19 o   17.607   1.8724  310.377   60.748  433.006   94.773  224.857   79.145   20.680   2.3608   14.534   2.9068 6.146282 3.744730 
1 1 1  -24    7   20 o   23.490   1.4715  551.546   66.819  624.621   99.090  490.610   90.486   24.920   2.0484   22.061   2.1130 2.859186 2.942922 
1 1 1  -24    7   21 o   20.177   1.7641  417.722   68.462  495.693   99.574  347.817   94.283   22.032   2.3282   18.322   2.6510 3.710686 3.528183 
1 1 1  -24    7   22 o   22.034   1.6665  501.517   70.928  481.996  104.167  518.391   96.848   21.559   2.4890   22.508   2.2166 -0.9487324 3.332945 
1 1 1  -24    7   23 o   14.623   2.4781  236.127   69.612  329.457  109.593  173.003   90.129   17.027   3.4343   12.220   3.5735 4.806504 4.956216 
1 1 1  -24    8    1 o   22.185   1.1378  481.145   48.755  479.981   65.722  482.570   72.707   22.163   1.5276   22.207   1.6867 -0.4338455E-01 2.275613 
1 1 1  -24    8    2 o   42.731   0.7118  1780.71   58.878  1831.91   81.058  1723.51   85.667   43.388   0.9624   42.075   1.0489 1.313553 1.423511 
1 1 1  -24    8    3 o   44.734   0.7079  1946.80   61.440  1920.85   85.375  1974.68   88.488   44.427   0.9900   45.042   1.0120 -0.6154556 1.415727 
1 1 1  -24    8    4 o   20.123   1.2447  397.523   48.377  444.062   68.535  351.308   68.297   21.310   1.6568   18.936   1.8580 2.373913 2.489388 
1 1 1  -24    8    5 o   44.001   0.7007  1882.54   59.820  1938.12   86.257  1831.04   83.032   44.626   0.9957   43.376   0.9861 1.249172 1.401394 
1 1 1  -24    8    6 o   51.487   0.6953  2579.87   69.476  2577.12   99.154  2582.53   97.377   51.458   0.9926   51.515   0.9738 -0.5664063E-01 1.390525 
1 1 1  -24    8    7 o   54.141   0.6867  2852.69   72.170  2854.92  102.560  2850.51  101.575   54.161   0.9755   54.121   0.9668 0.4056168E-01 1.373455 
1 1 1  -24    8    8 o   22.802   1.1692  526.785   49.603  366.069   71.699  674.311   68.694   19.316   1.9122   26.288   1.3462 -6.971195 2.338497 
1 1 1  -24    8    9 o   22.644   1.0977  505.908   47.798  453.282   70.038  551.785   65.393   21.518   1.6768   23.770   1.4172 -2.252308 2.195472 
1 1 1  -24    8   10 o   46.598   0.6937  2113.63   62.705  2123.64   90.400  2104.35   87.052   46.702   0.9972   46.494   0.9645 0.2078705 1.387332 
1 1 1  -24    8   11 o   48.483   0.6570  2286.57   61.766  2319.74   89.805  2256.79   85.086   48.814   0.9477   48.153   0.9103 0.6611671 1.314083 
1 1 1  -24    8   12 o   14.669   1.6100  213.075   45.742  208.339   66.500  217.328   63.017   14.504   2.3620   14.834   2.1884 -0.3306522 3.219981 
1 1 1  -24    8   13 o   12.017   1.8071  157.419   43.138   64.239   63.559  237.003   58.739   8.5294   3.0419   15.505   1.9517 -6.975114 3.614201 
1 1 1  -24    8   14 o   60.490   0.6793  3566.86   79.766  3538.74  112.428  3595.37  113.188   60.250   0.9613   60.730   0.9601 -0.4804688 1.358658 
1 1 1  -24    8   15 o   7.4989   2.2287   11.607   55.916 -21.4461   85.091   36.729   74.182   7.0478   3.1256   7.9500   3.1780 -0.9021506 4.457428 
1 1 1  -24    8   16 o   7.3470   2.2279   3.9874   56.642   6.7553   84.249   1.7043   76.517   7.5654   3.2338   7.1285   3.0653 0.4369340 4.455706 
1 1 1  -24    8   17 o   14.094   2.2758  210.260   60.717  239.254   91.111  187.097   81.436   14.968   3.2304   13.219   3.2065 1.749250 4.551598 
1 1 1  -24    8   18 o   27.900   1.1778  767.184   63.249  913.091   92.438  638.742   86.729   30.416   1.5656   25.384   1.7601 5.032124 2.355667 
1 1 1  -24    8   19 o   28.709   1.2191  820.057   67.764  794.353   98.443  843.204   93.419   28.253   1.7950   29.164   1.6501 -0.9115829 2.438217 
1 1 1  -24    8   20 o   18.810   1.8634  365.134   67.794  332.892   96.182  396.969   95.572   17.929   2.7636   19.691   2.5003 -1.762093 3.726788 
1 1 1  -24    8   21 o   17.875   2.1677  362.998   69.424  239.951  104.825  459.137   92.658   14.516   3.7070   21.233   2.2480 -6.717215 4.335392 
1 1 1  -24    8   22 o   7.5573   2.3373 -10.8864   66.262   45.417   99.411 -55.9002   88.887   8.6840   3.5996   6.4306   2.9824 2.253404 4.674627 
1 1 1  -24    9    1 o   34.116   0.8062  1134.74   53.352  1165.53   74.828  1102.91   76.090   34.590   1.1144   33.642   1.1652 0.9478645 1.612302 
1 1 1  -24    9    2 o   26.601   0.9932  691.241   51.183  700.267   70.470  681.165   74.461   26.790   1.3551   26.412   1.4523 0.3782234 1.986346 
1 1 1  -24    9    3 o   12.245   2.0421  154.682   47.768  146.980   67.064  162.613   68.054   11.931   2.9195   12.559   2.8560 -0.6279392 4.084103 
1 1 1  -24    9    4 o   35.705   0.7834  1239.07   54.207  1200.34   74.139  1283.57   79.458   35.109   1.0878   36.301   1.1276 -1.192341 1.566806 
1 1 1  -24    9    5 o   22.183   1.1284  481.948   48.497  502.440   67.521  460.112   69.700   22.677   1.5338   21.689   1.6555 0.9879894 2.256821 
1 1 1  -24    9    6 o   37.154   0.9069  1335.07   62.783  1307.67   78.096  1385.15  105.563   36.643   1.0979   37.666   1.4438 -1.022942 1.813828 
1 1 1  -24    9    7 o   22.298   1.1262  487.718   48.078  594.565   69.295  388.540   66.762   24.675   1.4467   19.921   1.7264 4.753803 2.252439 
1 1 1  -24    9    8 f  113.253   1.0208 12526.72  224.413 12411.91  315.921 12643.65  318.837  112.729   1.4437  113.777   1.4436 -1.047569 2.041630 
1 1 1  -24    9    9 o   56.429   0.6873  3097.04   75.198  3154.08  109.388  3045.95  103.543   56.918   0.9900   55.940   0.9535 0.9779816 1.374546 
1 1 1  -24    9   10 o   56.909   0.6834  3155.43   75.424  3084.40  108.301  3222.33  105.103   56.282   0.9913   57.536   0.9410 -1.253719 1.366816 
1 1 1  -24    9   11 o   29.698   0.8266  858.766   47.489  875.362   70.443  844.939   64.297   29.955   1.2114   29.441   1.1251 0.5149174 1.653280 
1 1 1  -24    9   12 o   29.550   0.8418  847.648   48.103  900.836   71.937  804.631   64.694   30.380   1.2198   28.720   1.1604 1.660391 1.683624 
1 1 1  -24    9   13 o   14.780   1.6726  222.425   44.780  321.165   65.913  137.785   61.026   18.054   1.8808   11.505   2.7665 6.548674 3.345225 
1 1 1  -24    9   14 o   31.319   0.7836  958.135   47.587  948.985   68.728  966.560   65.953   31.171   1.1358   31.468   1.0797 -0.2968121 1.567131 
1 1 1  -24    9   15 o   36.323   0.9602  1300.43   66.444  1254.72  103.446  1332.52   86.690   35.739   1.4911   36.906   1.2101 -1.166786 1.920311 
1 1 1  -24    9   16 o   32.661   1.0628  1055.54   66.674  1004.55  100.422  1095.72   89.162   31.915   1.6209   33.406   1.3749 -1.491226 2.125546 
1 1 1  -24    9   17 o   16.411   2.0335  302.787   59.372  181.718   90.932  392.756   78.388   12.961   3.5222   19.860   2.0333 -6.898669 4.066970 
1 1 1  -24    9   18 o   9.1082   2.3081   38.048   58.531  156.170   92.556 -40.6719   75.558   12.017   3.6479   6.1995   2.8289 5.817550 4.616214 
1 1 1  -24    9   19 o   26.609   1.2454  710.308   63.535  657.957   95.441  751.970   85.142   25.662   1.9159   27.557   1.5917 -1.894272 2.490810 
1 1 1  -24    9   20 o   21.329   1.4572  457.793   59.987  396.030   83.207  524.635   86.561   19.791   2.1658   22.866   1.9501 -3.074728 2.914409 
1 1 1  -24    9   21 o   18.565   1.9860  388.047   64.478  269.478  100.693  470.458   83.947   15.539   3.4301   21.591   2.0029 -6.052729 3.972008 
1 1 1  -24    9   22 o   15.809   2.3234  277.116   67.871  293.917  107.469  265.970   87.536   16.048   3.5445   15.571   3.0049 0.4769449 4.646848 
1 1 1  -24   10    1 o   13.550   1.8762  190.455   47.873  249.650   66.985  128.656   68.443   15.925   2.1669   11.175   3.0636 4.749429 3.752497 
1 1 1  -24   10    2 o   27.434   0.9190  736.600   48.742  699.851   71.097  769.191   66.954   26.779   1.3677   28.089   1.2279 -1.310259 1.838068 
1 1 1  -24   10    3 o   21.241   1.1729  440.904   48.331  461.619   69.611  421.625   67.157   21.723   1.6508   20.759   1.6666 0.9638920 2.345777 
1 1 1  -24   10    4 o   37.019   0.7707  1336.63   55.283  1252.66   78.506  1419.22   77.862   35.860   1.1278   38.178   1.0506 -2.318787 1.541333 
1 1 1  -24   10    5 o   47.460   0.7083  2187.69   65.180  2306.02   94.887  2081.97   89.689   48.672   1.0043   46.248   0.9990 2.424191 1.416569 
1 1 1  -24   10    6 o   22.073   1.1501  477.573   49.169  503.626   68.682  450.181   70.423   22.698   1.5588   21.447   1.6916 1.251617 2.300248 
1 1 1  -24   10    7 o   66.364   0.7121  4288.12   91.728  4217.20  129.875  4358.70  129.571   65.815   1.0166   66.913   0.9975 -1.098862 1.424252 
1 1 1  -24   10    8 o   35.995   0.7564  1260.52   52.823  1315.31   76.154  1209.71   73.333   36.748   1.0676   35.241   1.0720 1.506626 1.512874 
1 1 1  -24   10    9 o   51.461   0.6870  2576.91   68.601  2614.69   98.767  2541.71   95.355   51.823   0.9818   51.098   0.9613 0.7251091 1.374070 
1 1 1  -24   10   10 o   39.655   0.7121  1532.48   54.549  1520.53   81.058  1542.37   73.748   39.507   1.0570   39.803   0.9545 -0.2962837 1.424142 
1 1 1  -24   10   11 o   33.273   0.7802  1078.98   50.192  1081.75   74.410  1076.67   67.988   33.306   1.1509   33.241   1.0537 0.6562805E-01 1.560375 
1 1 1  -24   10   12 o   37.949   0.7035  1409.12   51.516  1339.91   76.002  1467.94   70.070   37.074   1.0561   38.824   0.9297 -1.749886 1.407004 
1 1 1  -24   10   13 o   34.566   0.7588  1165.89   50.897  1155.26   72.763  1176.08   71.221   34.409   1.0893   34.723   1.0566 -0.3140259 1.517601 
1 1 1  -24   10   14 o   35.236   0.7297  1211.41   49.908  1197.08   70.304  1225.97   70.862   35.026   1.0340   35.447   1.0298 -0.4209785 1.459378 
1 1 1  -24   10   15 o   50.923   0.9151  2541.80   90.176  2522.95  132.616  2558.02  122.986   50.727   1.3467   51.118   1.2394 -0.3907623 1.830261 
1 1 1  -24   10   16 o   21.205   1.4128  446.991   58.135  461.655   83.258  433.038   81.211   21.546   1.9907   20.864   2.0052 0.6821461 2.825525 
1 1 1  -24   10   17 o   29.496   1.1238  856.900   63.928  867.519   96.273  848.526   85.500   29.634   1.6736   29.358   1.5003 0.2757168 2.247599 
1 1 1  -24   10   18 o   6.4046   2.0664 -53.4977   56.854  -5.4959   87.697 -88.2998   74.672   7.3987   3.2306   5.4106   2.5774 1.988126 4.132795 
1 1 1  -24   10   19 o   9.3774   2.4402   81.548   58.781   52.807   95.156   99.283   74.749   8.9137   3.5865   9.8412   3.3097 -0.9275284 4.880308 
1 1 1  -24   10   20 o   22.136   1.4464  493.187   60.581  494.890   97.047  492.099   77.545   22.076   2.2646   22.195   1.7998 -0.1190624 2.892725 
1 1 1  -24   10   21 o   6.9784   2.1966 -14.5735   59.222 -18.2603   92.275 -11.9913   77.225   7.2232   3.2258   6.7335   2.9823 0.4897456 4.393178 
1 1 1  -24   10   22 o   14.516   2.5415  246.436   70.677  223.488  111.927  261.654   91.147   13.701   3.9752   15.330   3.1677 -1.628860 5.082975 
1 1 1  -24   11    1 o   33.221   0.8083  1073.74   52.079  1034.66   71.774  1117.20   75.683   32.585   1.1347   33.858   1.1515 -1.272781 1.616670 
1 1 1  -24   11    2 o   35.060   0.7815  1195.49   53.098  1165.44   72.664  1229.93   77.780   34.590   1.0822   35.529   1.1278 -0.9388084 1.562989 
1 1 1  -24   11    3 o   38.584   0.7368  1449.71   55.134  1451.85   76.415  1447.39   79.625   38.616   1.0194   38.552   1.0640 0.6476212E-01 1.473523 
1 1 1  -24   11    4 o   19.076   1.2759  361.556   46.527  419.810   64.517  298.430   67.161   20.719   1.6042   17.433   1.9846 3.285063 2.551841 
1 1 1  -24   11    5 o   17.628   1.3787  305.006   47.167  313.468   66.973  296.678   66.440   17.873   1.9304   17.383   1.9689 0.4890614 2.757373 
1 1 1  -24   11    6 o   30.465   0.8636  910.811   50.728  830.604   73.894  982.304   69.764   29.179   1.3046   31.752   1.1319 -2.572937 1.727163 
1 1 1  -24   11    7 o   11.327   2.0043  133.370   44.463  104.972   63.977  159.900   61.838   10.177   3.0203   12.478   2.6356 -2.301269 4.008539 
1 1 1  -24   11    8 o   8.6217   2.1575   65.515   45.295   54.325   67.309   74.775   61.235   8.3353   3.1057   8.9080   2.9957 -0.5727072 4.315037 
1 1 1  -24   11    9 o   14.623   1.6322  215.294   44.477  206.837   68.556  221.440   58.447   14.239   2.5751   15.006   2.0064 -0.7674723 3.264440 
1 1 1  -24   11   10 o   15.555   1.5046  236.241   45.165  259.226   68.582  218.639   60.017   16.211   2.1793   14.899   2.0751 1.311973 3.009238 
1 1 1  -24   11   11 o   24.427   0.9674  584.044   45.569  574.806   68.194  591.498   61.254   24.243   1.4491   24.612   1.2821 -0.3699036 1.934839 
1 1 1  -24   11   12 o   25.544   0.9210  638.919   45.445  624.026   67.246  651.438   61.655   25.259   1.3714   25.828   1.2298 -0.5680981 1.842042 
1 1 1  -24   11   13 o   31.801   0.7878  989.812   48.487  912.176   69.074  1065.22   68.077   30.561   1.1644   33.042   1.0614 -2.481876 1.575517 
1 1 1  -24   11   14 o   50.011   0.8323  2440.77   74.789  2455.40  134.232  2434.18   90.063   50.052   1.3815   49.969   0.9285 0.8358765E-01 1.664565 
1 1 1  -24   11   15 o   32.595   1.0929  1042.38   68.267  1064.36  105.757  1026.68   89.384   32.855   1.6582   32.335   1.4241 0.5203056 2.185785 
1 1 1  -24   11   16 o   6.5296   2.0924 -47.2546   56.412  -2.4041   89.393 -76.9354   72.720   7.5690   3.2838   5.4901   2.5942 2.078866 4.184870 
1 1 1  -24   11   17 o   22.518   1.4315  499.315   61.656  539.215   97.213  472.464   79.747   23.223   2.1565   21.814   1.8833 1.408953 2.863092 
1 1 1  -24   11   18 o   45.470   0.9341  2033.76   82.196  2016.67  120.753  2048.53  112.203   45.268   1.3742   45.672   1.2656 -0.4039612 1.868182 
1 1 1  -24   11   19 o   48.427   0.9345  2314.61   87.553  2231.21  127.718  2388.55  120.256   47.569   1.3831   49.285   1.2570 -1.715824 1.868963 
1 1 1  -24   11   20 o   39.205   1.0267  1535.13   75.888  1455.83  120.987  1586.56   97.438   38.266   1.6288   40.144   1.2504 -1.877483 2.053368 
1 1 1  -24   11   21 o   15.368   2.0842  248.611   58.347  270.732   98.887  236.796   72.267   15.581   3.3677   15.156   2.4564 0.4250984 4.168412 
1 1 1  -24   11   22 o   12.604   2.5541  176.382   64.090  222.779  105.770  149.464   80.564   13.737   3.8252   11.471   3.3854 2.265892 5.108117 
1 1 1  -24   12    1 o   30.066   0.8981  882.747   52.305  896.156   71.962  867.731   76.158   30.314   1.2229   29.819   1.3157 0.4957218 1.796276 
1 1 1  -24   12    2 o   21.540   1.1516  455.327   47.839  393.036   67.190  519.373   68.129   20.030   1.7280   23.050   1.5227 -3.019058 2.303161 
1 1 1  -24   12    3 o   41.512   0.7097  1676.24   57.141  1711.20   82.850  1644.53   78.913   41.922   1.0181   41.101   0.9891 0.8211327 1.419427 
1 1 1  -24   12    4 o   46.718   0.7016  2123.82   63.613  2056.68   88.991  2193.97   90.967   45.963   0.9974   47.474   0.9871 -1.510796 1.403283 
1 1 1  -24   12    5 o   41.814   0.7225  1702.42   58.625  1703.04   81.892  1701.78   83.963   41.823   1.0087   41.805   1.0347 0.1887131E-01 1.444979 
1 1 1  -24   12    6 o   16.157   1.4331  257.776   44.615  245.501   66.318  267.924   60.300   15.790   2.1636   16.525   1.8798 -0.7342539 2.866163 
1 1 1  -24   12    7 o   20.653   1.1372  417.386   45.591  418.860   64.431  415.907   64.519   20.690   1.6042   20.616   1.6122 0.7388115E-01 2.274324 
1 1 1  -24   12    8 o   44.919   0.6897  1964.35   60.009  1965.30   87.847  1963.52   82.168   44.925   1.0073   44.914   0.9425 0.1132202E-01 1.379474 
1 1 1  -24   12    9 o   28.477   0.8679  791.495   47.831  785.232   70.275  796.899   65.287   28.366   1.2762   28.588   1.1765 -0.2215919 1.735765 
1 1 1  -24   12   10 o   21.240   1.0930  444.527   44.615  417.220   66.766  466.558   59.969   20.632   1.6670   21.848   1.4140 -1.215643 2.185973 
1 1 1  -24   12   11 o   11.833   1.9368  145.489   43.477  140.045   64.691  149.975   58.715   11.606   2.8840   12.059   2.5859 -0.4523993 3.873539 
1 1 1  -24   12   12 o   18.378   1.2156  330.362   43.154  347.560   64.923  316.749   57.761   18.796   1.7793   17.960   1.6568 0.8364983 2.431257 
1 1 1  -24   12   13 o   37.970   0.7151  1403.09   52.617  1456.83   77.213  1356.50   71.896   38.644   1.0293   37.296   0.9931 1.347916 1.430252 
1 1 1  -24   12   14 o   24.230   1.2337  575.802   54.269  588.220   95.812  569.937   65.850   24.354   2.0267   24.106   1.4072 0.2479668 2.467334 
1 1 1  -24   12   15 o   18.785   1.5944  347.395   57.659  413.265   87.697  297.240   76.524   20.337   2.2215   17.232   2.2876 3.104393 3.188758 
1 1 1  -24   12   16 o   11.221   2.4278  134.080   58.678  104.008   89.054  157.154   78.007   10.324   3.6081   12.118   3.2495 -1.793658 4.855656 
1 1 1  -24   12   17 o   20.506   1.5841  429.979   60.940  385.057   96.447  459.832   78.624   19.499   2.5480   21.513   1.8828 -2.013494 3.168174 
1 1 1  -24   12   18 o   9.2569   2.4882   72.717   61.713   55.289   96.309   84.858   80.384   9.0385   3.6182   9.4753   3.4164 -0.4367599 4.976318 
1 1 1  -24   12   19 o   29.515   1.1651  871.552   65.645  824.870  100.877  905.840   86.455   28.757   1.8071   30.273   1.4712 -1.516298 2.330251 
1 1 1  -24   12   20 o   13.556   2.3762  202.222   60.814  210.765   99.454  197.120   76.856   13.650   3.6727   13.462   3.0159 0.1885853 4.752349 
1 1 1  -24   12   21 o   16.505   2.1352  305.825   62.387  255.409  105.098  333.257   77.523   14.941   3.6540   18.069   2.2102 -3.128819 4.270464 
1 1 1  -24   12   22 o   26.582   1.2640  710.701   63.484  719.574  102.316  705.147   80.951   26.604   1.9812   26.561   1.5701 0.4309082E-01 2.527915 
1 1 1  -24   13    1 o   38.046   0.7583  1409.49   55.993  1445.19   80.264  1375.65   78.150   38.515   1.0736   37.577   1.0714 0.9377136 1.516690 
1 1 1  -24   13    2 o   66.380   0.7210  4288.84   92.882  4392.82  133.120  4190.20  129.658   67.164   1.0210   65.597   1.0182 1.566658 1.441993 
1 1 1  -24   13    3 o   17.406   1.4432  299.346   47.308  211.469   64.933  398.763   69.065   14.641   2.2847   20.171   1.7639 -5.529946 2.886367 
1 1 1  -24   13    4 o   39.237   0.7439  1498.70   56.640  1531.00   81.312  1468.26   78.944   39.647   1.0565   38.827   1.0474 0.8198051 1.487706 
1 1 1  -24   13    5 o   41.516   0.7087  1677.35   56.936  1688.42   84.053  1667.96   77.398   41.638   1.0399   41.395   0.9632 0.2430611 1.417467 
1 1 1  -24   13    6 o   27.123   0.9140  717.506   48.109  731.796   68.932  703.935   67.176   27.386   1.2967   26.860   1.2884 0.5254669 1.827907 
1 1 1  -24   13    7 o   12.296   1.9015  151.118   45.894  223.234   67.925   90.541   62.253   15.035   2.3273   9.5565   3.0078 5.478552 3.803066 
1 1 1  -24   13    8 o   21.835   1.1000  463.106   46.450  508.100   69.393  426.580   62.522   22.787   1.5688   20.882   1.5424 1.905079 2.199984 
1 1 1  -24   13    9 o   25.421   0.9465  632.048   46.348  623.224   69.733  639.031   62.032   25.252   1.4226   25.590   1.2488 -0.3386002 1.892928 
1 1 1  -24   13   10 o   12.002   1.9393  146.908   44.321  183.781   66.151  116.872   59.703   13.371   2.6423   10.632   2.8393 2.739653 3.878547 
1 1 1  -24   13   11 o   31.001   0.7968  938.816   47.616  926.127   71.442  948.958   63.871   30.802   1.1948   31.199   1.0546 -0.3969536 1.593693 
1 1 1  -24   13   12 o   23.556   1.0071  554.736   45.027  438.608   65.413  659.314   62.075   21.138   1.5942   25.975   1.2311 -4.837397 2.014229 
1 1 1  -24   13   13 o   27.858   0.8883  758.109   48.005  792.650   69.393  726.408   66.480   28.466   1.2558   27.250   1.2568 1.215555 1.776663 
1 1 1  -24   13   14 o   88.782   1.0407  7789.50  169.425  7592.51  289.986  7891.60  208.762   87.748   1.7025   89.817   1.1974 -2.068741 2.081354 
1 1 1  -24   13   15 o   30.683   1.0897  949.604   63.141  799.904   96.173  1063.02   83.710   28.444   1.7418   32.921   1.3099 -4.477098 2.179353 
1 1 1  -24   13   16 o   10.095   2.4130  101.313   55.571  102.770   87.022  100.310   72.212   10.249   3.5675   9.9411   3.2501 0.3079014 4.826054 
1 1 1  -24   13   17 f   30.443   1.1101  932.858   64.239  786.227   95.821  1052.56   86.575   28.164   1.7527   32.722   1.3630 -4.557554 2.220266 
1 1 1  -24   13   18 o   35.110   1.0203  1220.89   67.799  1192.49  107.920  1239.40   87.142   34.706   1.6019   35.514   1.2641 -0.8079948 2.040565 
1 1 1  -24   13   19 o   31.887   1.1110  988.799   66.711  1086.05  110.536  933.081   83.667   33.028   1.7241   30.745   1.4019 2.283239 2.222089 
1 1 1  -24   13   20 o   41.881   0.9509  1736.71   76.641  1691.72  115.326  1772.29  102.566   41.343   1.4370   42.419   1.2456 -1.075256 1.901712 
1 1 1  -24   13   21 o   9.8513   2.3327  102.386   60.046  -7.9520  103.703  158.036   73.648   7.7833   3.4512   11.919   3.1395 -4.136023 4.665491 
1 1 1  -24   13   22 o   13.534   2.4356  214.507   63.280  189.439  104.494  229.025   79.521   12.651   3.8831   14.417   2.9411 -1.765699 4.871190 
1 1 1  -24   14    1 o   12.729   1.8659  163.071   45.689  102.102   62.102  235.012   67.459   10.027   2.9756   15.430   2.2522 -5.402873 3.731850 
1 1 1  -24   14    2 o   33.314   0.8096  1078.69   52.255  1033.85   71.239  1130.92   76.883   32.569   1.1268   34.060   1.1629 -1.490196 1.619231 
1 1 1  -24   14    3 f   27.462   0.9420  734.199   50.121  675.104   69.076  799.906   72.838   26.296   1.3532   28.629   1.3107 -2.332777 1.883909 
1 1 1  -24   14    4 o   25.982   0.9652  662.670   48.403  727.587   67.522  594.045   69.423   27.308   1.2737   24.656   1.4505 2.651989 1.930358 
1 1 1  -24   14    5 o   46.387   0.7027  2092.76   63.234  2026.12   87.609  2165.22   91.363   45.618   0.9894   47.156   0.9981 -1.538586 1.405343 
1 1 1  -24   14    6 o   22.434   1.0758  494.365   46.633  459.056   67.599  526.425   64.414   21.657   1.6080   23.212   1.4296 -1.555067 2.151573 
1 1 1  -24   14    7 o   29.887   0.8643  884.119   49.394  760.006   72.808  989.952   67.232   27.899   1.3444   31.874   1.0866 -3.975010 1.728591 
1 1 1  -24   14    8 o   52.499   0.6822  2684.89   69.488  2597.95   98.593  2770.71   97.951   51.651   0.9833   53.347   0.9459 -1.696289 1.364410 
1 1 1  -24   14    9 o   18.574   1.2594  338.476   45.393  351.148   64.954  326.379   63.462   18.915   1.7690   18.233   1.7931 0.6820621 2.518820 
1 1 1  -24   14   10 o   12.314   1.8362  161.195   43.428   97.225   63.901  216.102   59.201   9.8260   3.0400   14.801   2.0605 -4.975282 3.672485 
1 1 1  -24   14   11 o   24.690   0.9450  594.772   45.235  625.053   65.983  567.920   62.135   25.280   1.3446   24.100   1.3282 1.180832 1.889954 
1 1 1  -24   14   12 o   26.465   0.8905  687.565   45.482  655.934   67.109  714.436   61.855   25.887   1.3354   27.042   1.1783 -1.154829 1.780975 
1 1 1  -24   14   13 o   41.037   0.6752  1646.97   53.601  1570.36   77.992  1715.54   73.789   40.120   1.0014   41.953   0.9061 -1.833073 1.350498 
1 1 1  -24   14   14 o   18.165   1.7279  349.229   52.248  302.444   96.372  368.704   62.178   16.992   3.0331   19.339   1.6563 -2.347288 3.455879 
1 1 1  -24   14   15 o   14.161   2.1662  228.673   58.257  133.593   93.446  289.121   74.509   11.330   3.6969   16.991   2.2590 -5.661103 4.332443 
1 1 1  -24   14   16 o   24.548   1.2704  577.978   58.967  680.272   97.576  519.126   74.011   26.169   1.9208   22.926   1.6630 3.242773 2.540718 
1 1 1  -24   14   17 o   20.615   1.5174  431.230   59.099  400.778   92.993  451.864   76.546   19.912   2.4058   21.317   1.8498 -1.405010 3.034729 
1 1 1  -24   14   18 o   41.137   0.9382  1674.42   73.977  1606.41  112.641  1726.00   98.099   40.349   1.4381   41.926   1.2054 -1.577045 1.876462 
1 1 1  -24   14   19 o   19.478   1.7322  397.611   62.243  350.784  101.561  425.779   78.770   18.362   2.8494   20.593   1.9705 -2.231634 3.464324 
1 1 1  -24   14   20 o   5.4964   1.8842 -120.2184   60.040 -145.6489   99.439 -105.6287   75.319   5.8193   2.8228   5.1735   2.4966 0.6458573 3.768451 
1 1 1  -24   14   21 o   17.682   2.0660  362.374   63.202  250.146  102.658  430.875   80.204   14.754   3.6133   20.611   2.0046 -5.857193 4.132084 
1 1 1  -24   15    1 o   28.965   0.9334  820.093   52.284  732.375   73.315  910.868   74.582   27.379   1.3795   30.550   1.2576 -3.171602 1.866703 
1 1 1  -24   15    2 o   40.411   0.7391  1590.40   57.968  1632.37   82.763  1549.99   81.218   40.935   1.0415   39.888   1.0489 1.047333 1.478196 
1 1 1  -24   15    3 o   17.152   1.4293  289.263   47.562  303.491   68.072  275.693   66.481   17.567   1.9963   16.737   2.0462 0.8293743 2.858662 
1 1 1  -24   15    4 o   32.890   0.8159  1053.81   52.054  1072.95   75.326  1036.31   72.017   33.173   1.1697   32.606   1.1378 0.5672417 1.631841 
1 1 1  -24   15    5 o   39.990   0.7183  1555.40   55.559  1581.62   82.440  1533.57   75.201   40.293   1.0540   39.687   0.9761 0.6063576 1.436581 
1 1 1  -24   15    6 o   7.9984   2.1134   49.489   44.236   39.689   65.757   57.591   59.786   7.7950   3.0295   8.2018   2.9476 -0.4068117 4.226803 
1 1 1  -24   15    7 o   17.193   1.3764  293.906   45.404  258.594   66.639  324.504   62.031   16.198   2.1193   18.189   1.7569 -1.990555 2.752867 
1 1 1  -24   15    8 o   11.957   1.9017  149.410   43.372  115.030   62.325  181.695   60.396   10.564   2.9344   13.349   2.4198 -2.784836 3.803410 
1 1 1  -24   15    9 o   9.8622   2.1133   98.732   44.623   76.203   65.541  118.199   60.924   9.0369   3.0989   10.687   2.8742 -1.650541 4.226548 
1 1 1  -24   15   10 o   21.502   1.1098  454.031   46.232  433.477   66.396  473.376   64.414   21.020   1.6272   21.983   1.5095 -0.9624443 2.219531 
1 1 1  -24   15   11 o   23.072   1.0230  529.224   45.112  458.463   66.832  588.450   61.142   21.611   1.5931   24.532   1.2839 -2.921206 2.046085 
1 1 1  -24   15   12 o   26.793   0.8926  703.120   46.361  670.937   66.157  734.176   64.988   26.183   1.3016   27.402   1.2217 -1.219656 1.785195 
1 1 1  -24   15   13 o   26.823   0.8624  704.663   44.758  693.486   65.720  714.331   61.126   26.615   1.2721   27.030   1.1649 -0.4158516 1.724891 
1 1 1  -24   15   14 o   28.984   0.9884  817.833   52.736  847.231   90.936  802.936   64.733   29.322   1.5977   28.646   1.1641 0.6754513 1.976772 
1 1 1  -24   15   15 o   5.5105   1.8490 -90.1460   51.634 -48.5494   81.885 -117.6014   66.526   6.3860   2.9257   4.6350   2.2618 1.750967 3.698017 
1 1 1  -24   15   16 o   13.500   2.1732  176.354   55.364  289.276   92.983  114.329   68.912   16.567   3.0019   10.433   3.1433 6.134321 4.346453 
1 1 1  -24   15   17 o   8.6484   2.2419   53.573   57.091 -54.0775   93.814  116.890   71.948   6.7903   3.1185   10.506   3.2216 -3.716113 4.483740 
1 1 1  -24   15   18 o   27.395   1.2061  745.212   63.062  749.795   98.657  742.046   82.001   27.407   1.8544   27.382   1.5427 0.2519989E-01 2.412191 
1 1 1  -24   15   19 o   14.178   2.2284  218.465   58.246  222.470   95.408  216.085   73.540   14.121   3.4986   14.236   2.7609 -0.1148911 4.456763 
1 1 1  -24   15   20 o   10.166   2.5050   78.899   62.889  191.815  106.147   17.823   78.066   12.910   3.9037   7.4217   3.1404 5.488682 5.010077 
1 1 1  -24   15   21 o   10.828   2.4241  122.744   56.847  176.726   91.380   88.663   72.608   12.387   3.5913   9.2696   3.2569 3.117562 4.848139 
1 1 1  -24   16    1 o   25.221   1.0289  619.292   50.208  554.205   68.677  694.018   73.588   23.800   1.4865   26.642   1.4229 -2.842344 2.057740 
1 1 1  -24   16    2 o   47.523   0.6932  2197.15   63.644  2176.35   85.755  2222.66   94.961   47.280   0.9344   47.766   1.0241 -0.4856606 1.386328 
1 1 1  -24   16    3 o   22.150   1.0577  476.382   45.310  437.494   61.004  524.231   67.668   21.150   1.4859   23.150   1.5058 -1.999485 2.115491 
1 1 1  -24   16    4 o   55.679   0.6702  3019.37   72.401  2926.14  102.620  3111.76  102.163   54.820   0.9643   56.538   0.9309 -1.718132 1.340328 
1 1 1  -24   16    5 o   54.193   0.6829  2860.02   71.835  2836.79  102.128  2882.76  101.061   53.974   0.9748   54.413   0.9568 -0.4387779 1.365868 
1 1 1  -24   16    6 o   15.725   1.4809  243.787   45.185  236.627   64.068  250.873   63.737   15.491   2.1305   15.959   2.0574 -0.4679298 2.961731 
1 1 1  -24   16    7 o   14.229   1.6602  203.570   44.320  244.077   64.027  166.303   61.412   15.734   2.0963   12.723   2.5750 3.011725 3.320395 
1 1 1  -24   16    8 o   23.631   0.9606  546.251   44.022  531.413   63.129  560.296   61.420   23.314   1.3949   23.949   1.3212 -0.6341076 1.921267 
1 1 1  -24   16    9 o   11.430   1.9394  136.048   42.836  109.405   60.699  162.484   60.461   10.300   2.9082   12.560   2.5666 -2.259508 3.878820 
1 1 1  -24   16   10 o   26.529   0.8943  686.314   46.004  725.581   66.915  651.118   63.352   27.247   1.2651   25.811   1.2644 1.435862 1.788641 
1 1 1  -24   16   11 o   7.8452   2.0599   47.665   42.915   21.938   63.139   69.754   58.506   7.1023   2.8982   8.5881   2.9279 -1.485837 4.119730 
1 1 1  -24   16   12 o   26.897   0.8588  706.420   44.702  720.671   66.153  694.444   60.643   27.140   1.2557   26.655   1.1720 0.4846497 1.717676 
1 1 1  -24   16   13 o   13.389   1.7338  182.448   43.350  250.857   64.057  124.646   58.882   15.885   2.0774   10.894   2.7764 4.991188 3.467519 
1 1 1  -24   16   14 o   12.721   2.1314  191.189   51.012  100.817   96.051  226.694   60.205   10.355   3.7344   15.087   2.0557 -4.732882 4.262796 
1 1 1  -24   16   15 o   14.924   1.9088  225.068   52.602  248.647   86.240  211.098   66.380   15.350   3.0018   14.497   2.3588 0.8525791 3.817675 
1 1 1  -24   16   16 o   33.888   0.9658  1126.09   62.969  1149.10   96.040  1108.73   83.395   34.164   1.4482   33.611   1.2782 0.5529137 1.931549 
1 1 1  -24   16   17 o   7.4948   2.2748   7.2753   58.156   12.889   92.887   3.6561   74.584   7.9550   3.3978   7.0346   3.0257 0.9204288 4.549661 
1 1 1  -24   16   18 o   29.872   1.1777  875.691   66.329  931.783  108.837  842.549   83.661   30.550   1.8353   29.194   1.4762 1.356028 2.355309 
1 1 1  -24   16   19 o   10.343   2.3553  115.833   55.258   77.470   86.416  142.369   71.872   9.2845   3.5068   11.402   3.1451 -2.117651 4.710529 
1 1 1  -24   16   20 o   8.4260   2.3534   47.362   61.523 -47.0801  106.543   94.608   75.356   7.2802   3.3360   9.5718   3.3205 -2.291596 4.706859 
1 1 1  -24   16   21 o   20.036   1.8227  453.622   62.066  332.349  103.287  522.160   77.648   17.292   3.1947   22.779   1.7560 -5.486256 3.645482 
1 1 1  -24   17    1 o   21.693   1.2101  463.006   50.729  474.796   69.089  449.215   74.727   22.007   1.6173   21.380   1.8005 0.6266079 2.420237 
1 1 1  -24   17    2 o   16.852   1.4266  280.424   46.502  288.431   63.721  271.301   68.017   17.122   1.9172   16.582   2.1131 0.5401840 2.853172 
1 1 1  -24   17    3 o   16.196   1.6068  274.064   46.051  378.974   64.871  167.484   65.385   19.657   1.7001   12.735   2.7271 6.921848 3.213621 
1 1 1  -24   17    4 o   15.014   1.5951  224.377   44.974  271.338   66.205  184.137   61.284   16.594   2.0552   13.435   2.4398 3.159673 3.190102 
1 1 1  -24   17    5 o   8.0161   2.1189   48.120   44.615   65.479   65.471   33.069   60.961   8.6481   3.0870   7.3841   2.9033 1.263917 4.237813 
1 1 1  -24   17    6 o   24.557   0.9675  585.282   45.943  636.654   68.775  543.884   61.738   25.521   1.3882   23.593   1.3480 1.927860 1.935046 
1 1 1  -24   17    7 o   30.487   0.8193  908.038   48.372  885.340   70.388  928.351   66.588   30.119   1.2039   30.855   1.1117 -0.7353458 1.638697 
1 1 1  -24   17    8 o   20.563   1.1384  416.865   45.184  382.514   65.547  447.967   62.370   19.737   1.7108   21.388   1.5023 -1.650221 2.276745 
1 1 1  -24   17    9 o   18.018   1.2670  318.416   43.138  425.174   63.802  228.515   58.549   20.819   1.5787   15.217   1.9821 5.602370 2.533961 
1 1 1  -24   17   10 o   25.115   0.9298  622.616   44.907  559.380   65.861  677.557   61.389   23.896   1.4199   26.334   1.2009 -2.437927 1.859622 
1 1 1  -24   17   11 f   30.210   1.0814  882.699   56.948  865.978   66.851  926.930  108.728   29.771   1.1568   30.650   1.8275 -0.8785782 2.162813 
1 1 1  -24   17   12 o   24.313   0.9296  590.451   42.989  495.921   63.935  668.451   58.077   22.475   1.4655   26.151   1.1440 -3.676573 1.859152 
1 1 1  -24   17   13 o   46.862   0.6614  2142.86   60.120  2035.87   84.634  2251.84   85.416   45.676   0.9545   48.048   0.9158 -2.371849 1.322807 
1 1 1  -24   17   14 o   31.490   1.0068  949.899   55.966  1034.60  105.519  916.742   66.017   32.365   1.6795   30.615   1.1108 1.749958 2.013645 
1 1 1  -24   17   15 o   15.140   2.0374  217.503   56.895  337.250   97.263  155.213   70.150   18.205   2.7523   12.075   3.0049 6.130434 4.074814 
1 1 1  -24   17   16 o   19.210   1.5970  359.098   58.153  428.115   95.575  318.526   73.279   20.586   2.3917   17.833   2.1168 2.753410 3.193906 
1 1 1  -24   17   17 o   13.080   2.1839  191.065   54.808  144.632   84.797  224.381   71.828   11.540   3.4890   14.620   2.6276 -3.079430 4.367802 
1 1 1  -24   17   18 o   16.309   1.9949  277.345   57.748  287.388  101.020  272.469   70.382   16.210   3.3221   16.409   2.2096 -0.1990051 3.989829 
1 1 1  -24   17   19 o   7.4676   2.2668   10.915   56.630   17.094   95.721   7.5882   70.242   8.0514   3.4443   6.8839   2.9479 1.167517 4.533578 
1 1 1  -24   17   20 o   28.824   1.2243  814.754   66.174  900.727  110.883  767.194   82.471   29.881   1.9117   27.767   1.5301 2.113979 2.448589 
1 1 1  -24   17   21 o   8.7102   2.3676   64.719   60.368 -27.9565  109.306  105.393   72.414   7.5827   3.4377   9.8377   3.2566 -2.254995 4.735274 
1 1 1  -24   18    1 f   49.787   0.7155  2415.62   69.049  2408.88   95.005  2423.16  100.527   49.719   0.9844   49.855   1.0388 -0.1357613 1.431088 
1 1 1  -24   18    2 o   37.406   0.7608  1365.26   54.517  1370.25   71.624  1358.38   84.059   37.502   0.9839   37.311   1.1606 0.1907272 1.521518 
1 1 1  -24   18    3 o   15.521   1.4668  236.686   43.890  229.480   58.365  246.064   66.584   15.262   1.9700   15.779   2.1739 -0.5165071 2.933687 
1 1 1  -24   18    4 o   16.688   1.3464  273.233   43.399  313.325   63.155  237.361   59.737   17.854   1.8222   15.522   1.9826 2.332208 2.692795 
1 1 1  -24   18    5 o   36.735   0.7290  1307.32   51.800  1406.61   77.375  1226.67   69.733   37.989   1.0493   35.481   1.0125 2.507751 1.458085 
1 1 1  -24   18    6 o   20.174   1.1364  399.125   44.489  394.813   63.573  403.263   62.281   20.064   1.6322   20.284   1.5817 -0.2199554 2.272898 
1 1 1  -24   18    7 o   24.709   0.9739  598.972   46.567  562.230   67.118  633.074   64.661   23.967   1.4426   25.451   1.3088 -1.484049 1.947870 
1 1 1  -24   18    8 o   35.929   0.7365  1258.28   51.295  1267.15   74.623  1250.34   70.625   36.045   1.0665   35.813   1.0159 0.2318115 1.472932 
1 1 1  -24   18    9 o   28.462   0.8603  788.051   47.334  828.870   70.860  755.162   63.606   29.119   1.2536   27.805   1.1784 1.313278 1.720539 
1 1 1  -24   18   10 o   6.7439   1.8961   7.7201   42.192 -59.4526   63.295   61.438   56.601   5.2815   2.4718   8.2063   2.8760 -2.924789 3.792241 
1 1 1  -24   18   11 o   21.692   1.0623  464.590   44.367  438.668   65.965  486.003   59.953   21.117   1.6092   22.266   1.3871 -1.148258 2.124520 
1 1 1  -24   18   12 o   14.436   1.5187  207.926   41.953  205.148   64.723  209.939   55.096   14.320   2.3283   14.551   1.9505 -0.2309942 3.037356 
1 1 1  -24   18   13 o   31.003   0.7914  942.252   47.420  914.286   69.795  966.229   64.627   30.562   1.1765   31.443   1.0588 -0.8813801 1.582758 
1 1 1  -24   18   14 o   18.325   1.5200  361.295   48.201  270.653   84.024  405.757   58.848   16.345   2.6482   20.306   1.4930 -3.960482 3.040039 
1 1 1  -24   18   15 o   17.395   1.7544  295.414   57.423  347.942   96.342  266.471   71.513   18.496   2.6834   16.295   2.2609 2.201115 3.508865 
1 1 1  -24   18   16 o   26.058   1.3068  712.737   61.514  555.557  100.729  806.217   77.681   23.502   2.2079   28.614   1.3986 -5.111141 2.613556 
1 1 1  -24   18   17 o   10.200   2.2877  112.042   53.710   54.497   87.288  147.104   68.135   8.7282   3.4606   11.671   2.9931 -2.943082 4.575405 
1 1 1  -24   18   18 o   24.574   1.2658  604.246   58.015  598.180   96.009  607.735   72.812   24.379   2.0287   24.769   1.5143 -0.3901119 2.531598 
1 1 1  -24   18   19 o   26.408   1.2782  710.164   61.325  664.025  105.372  733.796   75.412   25.593   2.1210   27.223   1.4270 -1.630119 2.556353 
1 1 1  -24   18   20 o   7.9993   2.2423   41.665   55.226 -22.1067   88.714   82.014   70.567   6.9736   3.1350   9.0250   3.2067 -2.051380 4.484568 
1 1 1  -24   18   21 o   10.163   2.3834  118.174   60.442   11.181  113.028  161.024   71.529   8.3361   3.6531   11.990   3.0623 -3.653687 4.766845 
1 1 1  -24   19    1 o   27.459   0.9956  746.278   52.372  802.074   70.385  677.069   78.389   28.645   1.2658   26.274   1.5370 2.370829 1.991131 
1 1 1  -24   19    2 o   8.6022   2.1958   62.931   46.992   51.164   63.681   76.999   69.629   8.0654   3.0178   9.1391   3.1906 -1.073698 4.391685 
1 1 1  -24   19    3 o   8.2912   2.0858   49.700   44.834   8.1704   60.449  100.480   66.842   6.6039   2.7771   9.9785   3.1128 -3.374604 4.171585 
1 1 1  -24   19    4 o   30.073   0.8787  884.341   51.233  910.946   71.443  856.173   73.510   30.545   1.2049   29.601   1.2793 0.9436951 1.757403 
1 1 1  -24   19    5 o   31.532   0.8433  971.506   51.556  1025.65   72.885  917.284   72.937   32.418   1.1582   30.647   1.2260 1.770565 1.686586 
1 1 1  -24   19    6 o   14.675   1.5542  213.171   44.256  204.709   61.839  222.056   63.362   14.374   2.2162   14.976   2.1795 -0.6016521 3.108373 
1 1 1  -24   19    7 o   29.382   0.8203  846.635   46.571  786.561   67.532  901.109   64.308   28.374   1.2261   30.391   1.0901 -2.016747 1.640601 
1 1 1  -24   19    8 o   31.117   0.7862  946.611   47.356  923.329   69.140  967.184   64.994   30.748   1.1583   31.485   1.0634 -0.7369442 1.572457 
1 1 1  -24   19    9 o   18.100   1.2217  322.965   42.814  295.512   60.347  350.788   60.751   17.314   1.7955   18.885   1.6572 -1.571503 2.443383 
1 1 1  -24   19   10 o   19.363   1.1581  365.877   43.322  419.234   64.403  321.782   58.548   20.647   1.6069   18.080   1.6682 2.567375 2.316267 
1 1 1  -24   19   11 o   18.493   1.1680  337.344   41.780  331.615   61.446  342.270   56.979   18.335   1.7265   18.652   1.5737 -0.3176670 2.336061 
1 1 1  -24   19   12 o   17.290   1.3056  291.134   43.443  338.365   66.873  256.646   57.144   18.480   1.8642   16.101   1.8283 2.379322 2.611110 
1 1 1  -24   19   13 o   39.096   0.7031  1491.63   53.271  1510.36   77.809  1475.10   73.086   39.320   1.0194   38.871   0.9686 0.4494667 1.406181 
1 1 1  -24   19   14 o   25.532   1.1834  674.334   50.963  580.336   97.000  710.175   59.897   24.126   2.0712   26.938   1.1454 -2.811754 2.366811 
1 1 1  -24   19   15 o   17.600   1.5823  302.631   53.077  356.877   85.567  268.705   67.668   18.818   2.3424   16.382   2.1280 2.436342 3.164677 
1 1 1  -24   19   16 f   45.811   0.9094  2049.60   79.247  2129.76  126.283  1997.52  101.782   46.491   1.3993   45.130   1.1618 1.361431 1.818757 
1 1 1  -24   19   17 f   24.003   1.2925  585.328   56.930  541.224   95.661  609.514   70.840   23.173   2.1267   24.833   1.4696 -1.660032 2.585019 
1 1 1  -24   19   18 o   11.791   2.2281  147.328   51.801  190.604   80.947  117.315   67.411   13.165   3.1990   10.418   3.1022 2.747159 4.456120 
1 1 1  -24   19   19 o   11.769   2.2431  168.397   56.584   65.557   99.184  218.019   68.896   9.2050   3.6765   14.333   2.5708 -5.127650 4.486110 
1 1 1  -24   19   20 o   7.1780   2.1938   10.260   54.475 -12.7585   93.427   22.117   67.052   7.2997   3.2540   7.0563   2.9432 0.2433815 4.387538 
1 1 1  -24   20    1 o   55.812   0.7124  3033.07   76.934  2979.74  104.254  3096.85  114.001   55.283   0.9715   56.340   1.0424 -1.056831 1.424898 
1 1 1  -24   20    2 o   16.539   1.5018  263.824   47.496  212.572   62.019  336.521   73.863   14.639   2.1825   18.440   2.0635 -3.800961 3.003527 
1 1 1  -24   20    3 f   35.586   0.7792  1236.38   53.641  1242.56   73.007  1229.14   79.075   35.691   1.0538   35.481   1.1481 0.2098351 1.558375 
1 1 1  -24   20    4 o   34.194   0.7915  1143.61   52.291  1169.46   71.102  1113.17   77.172   34.625   1.0578   33.762   1.1775 0.8636398 1.582902 
1 1 1  -24   20    5 o   37.577   0.7267  1376.97   53.004  1377.20   74.744  1376.75   75.176   37.581   1.0246   37.573   1.0307 0.7202148E-02 1.453313 
1 1 1  -24   20    6 o   13.770   1.7498  201.618   44.135  131.273   64.599  263.198   60.440   11.207   2.9347   16.332   1.9064 -5.125299 3.499537 
1 1 1  -24   20    7 f   10.598   2.0506  117.037   43.389  115.620   62.792  118.332   60.023   10.542   2.9514   10.653   2.8477 -0.1110640 4.101290 
1 1 1  -24   20    8 o   12.157   1.7836  149.149   43.039  254.605   64.059   62.375   58.108   16.031   2.0585   8.2827   2.9134 7.748048 3.567290 
1 1 1  -24   20    9 o   29.247   0.8341  834.678   47.231  855.386   69.733  817.126   64.199   29.576   1.2146   28.919   1.1436 0.6567154 1.668285 
1 1 1  -24   20   10 o   42.285   0.6626  1740.59   54.160  1776.73   80.686  1710.94   73.068   42.676   0.9740   41.894   0.8985 0.7815475 1.325113 
1 1 1  -24   20   11 o   6.7756   1.9108   18.823   40.239 -21.6826   59.834   52.270   54.371   5.7972   2.5927   7.7541   2.8076 -1.956945 3.821618 
1 1 1  -24   20   12 o   8.5604   1.9922   71.466   40.136   37.254   60.590   98.215   53.575   7.4254   2.9018   9.6953   2.7305 -2.269828 3.984481 
1 1 1  -24   20   13 o   27.966   0.8279  762.946   44.863  814.927   65.805  717.805   61.324   28.852   1.1749   27.080   1.1666 1.772173 1.655722 
1 1 1  -24   20   14 o   14.121   2.0579  205.863   46.888  211.459   99.624  204.271   53.141   13.906   3.6459   14.335   1.9097 -0.4292965 4.115778 
1 1 1  -24   20   15 o   25.227   1.2448  625.943   58.398  652.022   98.565  611.836   72.492   25.552   1.9872   24.903   1.4996 0.6486473 2.489533 
1 1 1  -24   20   16 o   18.294   1.5472  334.903   53.762  349.475   86.025  325.564   68.868   18.553   2.3887   18.035   1.9672 0.5175953 3.094421 
1 1 1  -24   20   17 o   19.086   1.5509  341.773   54.728  461.741   97.283  286.227   66.196   21.299   2.3529   16.872   2.0211 4.426720 3.101819 
1 1 1  -24   20   18 o   11.809   2.2984  154.173   53.000  148.591   89.585  157.178   65.740   11.572   3.6026   12.046   2.8550 -0.4736423 4.596763 
1 1 1  -24   20   19 o   14.285   2.1420  211.146   53.333  258.065   99.748  192.363   63.112   15.115   3.4726   13.454   2.5088 1.661052 4.284065 
1 1 1  -24   20   20 o   9.6080   2.4722   86.315   54.156  122.120  105.634   73.548   63.076   10.656   3.9050   8.5595   3.0327 2.097035 4.944366 
1 1 1  -24   21    1 o   14.211   1.7747  209.992   46.876  243.405   63.708  170.548   69.220   15.663   2.0953   12.759   2.8650 2.904265 3.549415 
1 1 1  -24   21    2 o   31.976   0.8517  1002.56   52.686  1082.80   73.863  919.451   75.172   33.294   1.1429   30.658   1.2631 2.635660 1.703422 
1 1 1  -24   21    3 o   30.233   0.8787  893.813   51.540  856.012   72.574  932.276   73.206   29.584   1.2638   30.881   1.2212 -1.297552 1.757384 
1 1 1  -24   21    4 o   17.219   1.3965  290.512   46.432  253.862   62.622  335.266   69.199   16.018   2.0140   18.421   1.9352 -2.403311 2.793073 
1 1 1  -24   21    5 f   6.3341   1.9538  -8.7733   45.111 -10.3406   61.222  -6.9116   66.727   6.1538   2.6928   6.5144   2.8317 -0.3606238 3.907688 
1 1 1  -24   21    6 o   18.197   1.2842  325.059   45.254  298.305   61.753  356.093   66.510   17.390   1.8294   19.004   1.8029 -1.614246 2.568483 
1 1 1  -24   21    7 o   22.987   1.0450  518.237   46.545  560.672   66.647  477.833   65.033   23.912   1.4358   22.061   1.5186 1.850374 2.089906 
1 1 1  -24   21    8 o   29.313   0.8073  839.651   45.919  867.299   65.101  812.275   64.780   29.796   1.1256   28.830   1.1575 0.9660511 1.614560 
1 1 1  -24   21    9 o   11.057   1.9233  122.423   42.489  189.159   64.621   71.599   56.393   13.521   2.5557   8.5936   2.8749 4.927553 3.846601 
1 1 1  -24   21   10 o   29.369   0.8363  841.612   47.227  860.601   72.281  827.467   62.384   29.643   1.2562   29.096   1.1045 0.5464630 1.672682 
1 1 1  -24   21   11 o   8.2115   1.7880   46.957   41.506 -58.4125   62.148  131.798   55.766   5.2137   2.4430   11.209   2.6114 -5.995649 3.575955 
1 1 1  -24   21   12 o   14.721   1.4416  214.796   41.041  242.700   60.097  190.409   56.181   15.623   1.9816   13.819   2.0944 1.804327 2.883267 
1 1 1  -24   21   13 o   42.469   0.8212  1772.13   61.726  1749.77  113.201  1781.59   73.636   42.203   1.3818   42.736   0.8876 -0.5334740 1.642332 
1 1 1  -24   21   14 o   22.178   1.3821  513.749   49.991  444.849   99.910  536.760   57.738   20.972   2.4542   23.385   1.2719 -2.412848 2.764218 
1 1 1  -24   21   15 o   17.132   1.8485  296.999   55.137  320.514  100.657  286.919   65.904   17.330   3.1061   16.933   2.0050 0.3971653 3.697033 
1 1 1  -24   21   16 o   19.202   1.4698  380.760   52.364  331.675   84.244  411.666   66.846   18.053   2.4039   20.352   1.6921 -2.298410 2.939700 
1 1 1  -24   21   17 o   26.819   1.1793  736.523   57.601  649.958   96.887  783.845   71.635   25.437   1.9622   28.200   1.3086 -2.762905 2.358505 
1 1 1  -24   21   18 o   16.323   1.9429  286.619   54.094  268.760   98.497  294.332   64.730   15.553   3.3605   17.094   1.9507 -1.540587 3.885707 
1 1 1  -24   21   19 o   6.7092   2.0783  -3.3979   51.812 -64.0486   92.173   24.619   62.647   6.4490   3.0065   6.9693   2.8703 -0.5203333 4.156591 
1 1 1  -24   21   20 o   20.905   1.6477  468.657   58.094  414.957  110.326  489.258   68.335   19.698   2.8854   22.111   1.5921 -2.413795 3.295440 
1 1 1  -24   22    1 o   29.744   0.8986  846.210   51.243  739.977   66.440  1002.19   80.507   27.498   1.2447   31.990   1.2965 -4.492046 1.797254 
1 1 1  -24   22    2 o   27.866   0.9176  752.085   49.362  677.706   65.831  847.612   74.605   26.311   1.2889   29.421   1.3063 -3.110455 1.835144 
1 1 1  -24   22    3 o   17.264   1.4220  294.044   47.084  287.522   61.689  303.146   72.875   17.061   1.8627   17.468   2.1492 -0.4070511 2.844040 
1 1 1  -24   22    4 o   25.266   1.0206  630.535   49.643  711.745   69.494  545.911   70.940   26.959   1.3279   23.573   1.5503 3.386614 2.041286 
1 1 1  -24   22    5 o   45.357   0.7092  2005.04   62.385  1965.27   86.053  2049.08   90.570   44.887   0.9876   45.827   1.0181 -0.9400444 1.418432 
1 1 1  -24   22    6 o   35.295   0.7755  1216.60   53.126  1219.52   74.710  1213.62   75.559   35.339   1.0891   35.250   1.1042 0.8862305E-01 1.550942 
1 1 1  -24   22    7 o   16.778   1.3550  279.453   43.957  303.404   61.634  254.660   62.710   17.529   1.8114   16.027   2.0157 1.502241 2.709993 
1 1 1  -24   22    8 o   25.345   0.9231  627.123   45.329  681.115   66.225  579.532   62.176   26.370   1.2938   24.320   1.3170 2.049786 1.846169 
1 1 1  -24   22    9 o   8.3046   1.9672   56.509   41.223  109.812   59.292   6.6352   57.354   10.241   2.8684   6.3686   2.6931 3.871988 3.934477 
1 1 1  -24   22   10 o   24.830   0.9140  602.422   43.923  630.368   65.199  579.200   59.433   25.349   1.3250   24.311   1.2594 1.038158 1.828005 
1 1 1  -24   22   11 o   29.804   0.7854  861.100   45.239  966.338   67.758  776.459   60.766   31.433   1.1105   28.176   1.1110 3.257000 1.570839 
1 1 1  -24   22   12 o   19.155   1.1052  365.007   40.453  339.445   61.633  384.354   53.619   18.531   1.7134   19.779   1.3965 -1.248060 2.210438 
1 1 1  -24   22   13 o   15.693   1.7527  216.495   47.105  323.432   98.619  184.887   53.616   17.772   2.8586   13.614   2.0288 4.157802 3.505352 
1 1 1  -24   22   14 o   42.338   0.8279  1728.84   62.266  1828.36  115.388  1687.95   73.958   43.101   1.3791   41.574   0.9164 1.527344 1.655848 
1 1 1  -24   22   15 o   17.175   1.7573  283.458   52.979  342.107  102.660  262.168   61.852   18.165   2.9114   16.185   1.9687 1.980291 3.514558 
1 1 1  -24   22   16 o   16.683   1.7467  269.830   51.373  320.934   98.510  250.741   60.208   17.557   2.8905   15.810   1.9618 1.746448 3.493363 
1 1 1  -24   22   17 o   7.8592   2.1889   45.464   48.454   23.502   82.076   57.214   60.032   7.7285   3.2423   7.9900   2.9414 -0.2614651 4.377724 
1 1 1  -24   22   18 o   13.156   2.2307  190.620   52.377  180.002  101.958  194.426   61.048   12.526   3.8342   13.786   2.2812 -1.260676 4.461490 
1 1 1  -24   22   19 o   11.746   2.1041  165.624   51.715   76.486   88.757  211.438   63.631   9.1676   3.5316   14.325   2.2883 -5.157210 4.208196 
1 1 1  -24   23    1 o   27.846   0.9247  755.301   49.757  713.455   66.649  807.987   74.786   26.987   1.2722   28.705   1.3422 -1.717360 1.849319 
1 1 1  -24   23    2 o   36.676   0.7594  1315.81   53.937  1421.99   76.376  1210.17   76.182   38.164   1.0310   35.189   1.1153 2.974594 1.518786 
1 1 1  -24   23    3 f   40.239   0.7568  1580.20   59.010  1562.77   80.885  1600.03   86.281   40.008   1.0415   40.469   1.0983 -0.4608002 1.513600 
1 1 1  -24   23    4 o   7.2056   2.0266   29.284   42.053   21.696   55.290   39.699   64.775   6.7243   2.7239   7.6869   3.0014 -0.9625697 4.053156 
1 1 1  -24   23    5 o   30.765   0.8278  920.587   49.303  840.061   67.103  1015.05   72.679   29.309   1.1794   32.221   1.1620 -2.911917 1.655681 
1 1 1  -24   23    6 o   14.308   1.5753  200.928   43.397  178.130   57.166  231.936   66.669   13.370   2.2027   15.247   2.2526 -1.877098 3.150516 
1 1 1  -24   23    7 o   35.329   0.7717  1220.17   52.899  1244.12   74.126  1195.30   75.514   35.687   1.0700   34.971   1.1124 0.7162666 1.543490 
1 1 1  -24   23    8 o   25.916   0.9519  659.799   47.699  732.755   67.908  588.752   67.014   27.345   1.2793   24.486   1.4099 2.858839 1.903761 
1 1 1  -24   23    9 o   33.912   0.7687  1124.52   50.568  1069.68   71.222  1180.27   71.809   33.073   1.1093   34.751   1.0645 -1.677876 1.537459 
1 1 1  -24   23   10 o   21.343   1.0275  445.754   42.445  476.677   63.043  420.115   57.405   22.012   1.4754   20.673   1.4304 1.338890 2.054984 
1 1 1  -24   23   11 o   26.401   0.8270  686.775   41.878  650.178   63.356  715.171   55.809   25.753   1.2674   27.049   1.0629 -1.296476 1.654054 
1 1 1  -24   23   12 o   6.3635   1.8825   10.572   38.555   17.107   59.306   5.7883   50.741   6.7396   2.7859   5.9875   2.5326 0.7520995 3.764948 
1 1 1  -24   23   13 o   7.0271   2.1875 -14.3598   47.531   31.857  103.611 -26.6784   53.492   8.7483   3.6546   5.3059   2.4052 3.442373 4.375024 
1 1 1  -24   23   14 o   10.788   2.1096  138.330   46.621   53.234   93.027  166.871   53.875   8.8851   3.5563   12.690   2.2704 -3.805068 4.219259 
1 1 1  -24   23   15 o   10.281   2.1103   58.774   50.054  236.115   92.300 -15.1066   59.575   14.685   3.3163   5.8778   2.6106 8.807302 4.220527 
1 1 1  -24   23   16 o   11.732   2.3144  153.514   51.387  132.911  100.700  160.769   59.753   11.161   3.8403   12.303   2.5842 -1.141572 4.628882 
1 1 1  -24   23   17 o   20.261   1.3939  384.616   51.482  500.965   94.286  335.192   61.452   22.204   2.1875   18.317   1.7282 3.886789 2.787816 
1 1 1  -24   23   18 o   14.592   2.1639  263.987   53.158  163.587  104.767  298.797   61.689   11.956   3.9151   17.229   1.8445 -5.272745 4.327859 
1 1 1  -24   23   19 o   22.360   1.2898  498.843   53.679  526.328   90.587  483.969   66.638   22.712   2.0547   22.008   1.5599 0.7047577 2.579683 
1 1 1  -24   24    1 o   8.8259   2.1919   72.304   46.282   66.143   61.929   80.098   69.654   8.4830   3.0051   9.1688   3.1917 -0.6858664 4.383806 
1 1 1  -24   24    2 f   18.967   1.3139  357.776   48.049  370.428   65.028  342.561   71.308   19.364   1.7300   18.571   1.9780 0.7926235 2.627826 
1 1 1  -24   24    3 o   6.7976   2.0206   8.4489   46.092   30.619   61.111 -20.8058   70.199   7.2443   2.8882   6.3508   2.8266 0.8934927 4.041195 
1 1 1  -24   24    4 o   23.879   1.0425  569.306   47.390  619.445   63.045  504.173   71.855   25.141   1.2918   22.616   1.6367 2.525229 2.085100 
1 1 1  -24   24    5 o   41.010   0.7236  1643.06   57.395  1651.13   78.031  1633.55   84.718   41.131   0.9773   40.889   1.0673 0.2414322 1.447187 
1 1 1  -24   24    6 o   39.729   0.7425  1538.70   56.968  1510.90   76.479  1573.34   85.385   39.338   1.0015   40.119   1.0964 -0.7811852 1.484953 
1 1 1  -24   24    7 o   11.414   2.0375  135.163   45.158  111.630   60.176  165.501   68.324   10.310   2.8903   12.518   2.8726 -2.207913 4.075007 
1 1 1  -24   24    8 o   32.729   0.7933  1049.65   50.298  1087.04   69.764  1009.17   72.584   33.347   1.0777   32.111   1.1645 1.235733 1.586662 
1 1 1  -24   24    9 o   38.925   0.7068  1476.22   53.321  1542.02   78.113  1418.81   72.965   39.732   1.0128   38.118   0.9861 1.614056 1.413548 
1 1 1  -24   24   10 o   16.010   1.3548  253.218   41.964  283.713   61.609  226.826   57.316   16.912   1.8767   15.108   1.9544 1.803994 2.709524 
1 1 1  -24   24   11 f   8.9711   1.9593   77.032   39.099  118.965   58.512   43.201   52.556   10.613   2.7997   7.3292   2.7417 3.283917 3.918564 
1 1 1  -24   24   12 o   27.949   0.7955  765.256   43.077  757.869   62.720  771.852   59.268   27.813   1.1617   28.085   1.0871 -0.2716846 1.591053 
1 1 1  -24   24   13 o   25.432   1.2080  609.170   49.175  700.766  108.648  585.571   55.148   26.426   2.1180   24.438   1.1625 1.988098 2.416047 
1 1 1  -24   24   14 o   26.667   1.1563  675.044   50.211  762.262  107.861  650.914   56.734   27.572   2.0153   25.762   1.1345 1.809673 2.312676 
1 1 1  -24   24   15 o   7.6848   2.1759   17.376   47.828   87.039   85.429 -14.4281   57.722   9.5806   3.5116   5.7890   2.5705 3.791534 4.351851 
1 1 1  -24   24   16 o   17.158   1.8995  332.356   50.275  264.308  100.797  354.891   58.006   15.413   3.4544   18.902   1.5809 -3.488380 3.798962 
1 1 1  -24   24   17 o   20.532   1.4563  431.450   51.154  416.555   97.933  437.039   59.988   20.076   2.5129   20.988   1.4724 -0.9113350 2.912533 
1 1 1  -24   24   18 o   10.970   2.3837  131.061   51.200  136.346  102.180  129.290   59.163   11.077   3.8652   10.863   2.7907 0.2135534 4.767395 
1 1 1  -24   25    1 o   23.156   1.0956  543.442   47.773  648.648   64.983  419.710   70.472   25.716   1.3018   20.596   1.7626 5.119726 2.191227 
1 1 1  -24   25    2 o   15.820   1.5273  246.612   46.578  220.608   61.677  281.129   71.058   14.867   2.1372   16.772   2.1825 -1.905874 3.054654 
1 1 1  -24   25    3 o   12.361   1.8823  159.680   45.794   86.914   63.735  237.332   65.840   9.3136   3.0538   15.408   2.2013 -6.094728 3.764508 
1 1 1  -24   25    4 o   18.049   1.3213  322.220   45.954  271.997   63.286  378.237   66.836   16.544   1.9706   19.555   1.7607 -3.011314 2.642636 
1 1 1  -24   25    5 o   12.548   1.8775  164.601   44.289  155.583   61.359  174.409   63.992   12.178   2.6692   12.917   2.6412 -0.7392378 3.755073 
1 1 1  -24   25    6 o   39.843   0.7301  1551.07   56.443  1554.28   78.765  1547.68   80.923   39.889   1.0172   39.797   1.0475 0.9251404E-01 1.460126 
1 1 1  -24   25    7 o   47.940   0.6911  2243.94   64.308  2240.29   90.608  2247.64   91.288   47.902   0.9744   47.979   0.9802 -0.7683182E-01 1.382107 
1 1 1  -24   25    8 o   8.7918   2.1370   73.640   44.295   62.107   62.137   85.556   63.161   8.3345   3.0040   9.2490   3.0404 -0.9144964 4.274086 
1 1 1  -24   25    9 o   14.887   1.4757  220.371   42.536  199.389   58.645  243.663   61.788   14.132   2.1378   15.642   2.0348 -1.510905 2.951420 
1 1 1  -24   25   10 o   15.834   1.3919  249.386   42.739  247.959   59.070  250.952   61.914   15.795   1.9266   15.873   2.0093 -0.7870007E-01 2.783730 
1 1 1  -24   25   11 o   18.408   1.1798  335.365   41.943  380.060   60.153  293.072   58.513   19.620   1.5794   17.195   1.7530 2.424738 2.359552 
1 1 1  -24   25   12 o   8.1391   1.9978   59.892   39.530   86.582   57.455   35.900   54.472   9.1676   2.8901   7.1106   2.7590 2.056945 3.995617 
1 1 1  -24   25   13 o   24.449   1.1469  610.893   47.366  553.247   91.220  632.172   55.423   23.504   1.9993   25.394   1.1243 -1.889809 2.293790 
1 1 1  -24   25   14 o   12.608   2.1724  173.072   44.562  155.642  104.093  176.983   49.308   11.917   3.9025   13.299   1.9101 -1.381192 4.344849 
1 1 1  -24   25   15 o   13.876   2.0538  234.510   48.996  138.310   93.158  271.296   57.607   11.273   3.6918   16.478   1.8010 -5.204314 4.107701 
1 1 1  -24   25   16 o   16.056   1.9489  288.786   50.075  239.381   97.914  306.285   58.271   14.597   3.5006   17.514   1.7140 -2.916326 3.897711 
1 1 1  -24   25   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -24   25   18 o   16.217   1.7735  228.773   49.706  426.061   98.256  160.919   57.623   20.202   2.5056   12.233   2.5107 7.968365 3.547029 
1 1 1  -24   26    1 o   32.111   0.8725  1001.37   54.131  888.248   72.908  1140.31   80.805   30.105   1.2476   34.117   1.2201 -4.012318 1.745040 
1 1 1  -24   26    2 o   21.719   1.1714  462.591   49.139  436.609   65.639  495.717   74.118   21.041   1.6071   22.397   1.7047 -1.356817 2.342842 
1 1 1  -24   26    3 o   28.705   0.9017  810.484   49.954  836.044   67.771  780.075   73.920   29.220   1.1948   28.190   1.3508 1.029552 1.803435 
1 1 1  -24   26    4 o   57.124   0.6959  3187.85   77.123  3241.15  107.810  3131.99  110.374   57.621   0.9639   56.628   1.0041 0.9925117 1.391833 
1 1 1  -24   26    5 o   42.328   0.7129  1749.68   58.553  1741.24   81.555  1758.66   84.119   42.226   0.9950   42.429   1.0213 -0.2037163 1.425849 
1 1 1  -24   26    6 o   18.061   1.3075  324.919   45.609  348.990   63.145  298.664   65.949   18.787   1.7314   17.336   1.9598 1.451977 2.615060 
1 1 1  -24   26    7 o   21.090   1.1917  439.152   48.762  419.892   68.198  459.299   69.748   20.613   1.7044   21.567   1.6660 -0.9541550 2.383391 
1 1 1  -24   26    8 f   16.049   1.4397  256.659   44.827  259.364   62.518  253.797   64.309   16.145   1.9949   15.954   2.0765 0.1906118 2.879493 
1 1 1  -24   26    9 o   26.600   0.9209  693.919   47.459  687.238   65.002  701.547   69.452   26.471   1.2650   26.728   1.3386 -0.2575340 1.841757 
1 1 1  -24   26   10 f   9.7761   2.0379  100.884   42.236  123.269   57.086   73.811   62.782   10.792   2.7246   8.7601   3.0313 2.032045 4.075755 
1 1 1  -24   26   11 f   35.861   0.7214  1258.30   50.194  1290.57   70.593  1225.30   71.383   36.331   1.0010   35.390   1.0391 0.9406586 1.442766 
1 1 1  -24   26   12 o   26.036   0.8447  665.887   42.647  649.364   61.258  681.426   59.407   25.714   1.2272   26.358   1.1611 -0.6433067 1.689442 
1 1 1  -24   26   13 o   18.470   1.3482  333.156   42.885  358.914   83.758  324.004   49.925   18.821   2.2925   18.119   1.4195 0.7020760 2.696414 
1 1 1  -24   26   14 o   20.190   1.4246  388.305   44.647  447.496  102.574  374.470   49.591   20.887   2.5299   19.494   1.3105 1.392462 2.849187 
1 1 1  -24   26   15 o   14.555   2.0471  223.295   49.649  230.070   98.941  221.015   57.398   14.296   3.5747   14.813   1.9961 -0.5171471 4.094272 
1 1 1  -24   26   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -24   26   17 o   19.261   1.4960  332.732   49.491  484.878  102.700  286.714   56.481   21.620   2.4471   16.902   1.7215 4.717970 2.991944 
1 1 1  -24   26   18 o   6.7832   1.9660   19.928   43.847 -43.4998   75.521   52.180   53.853   6.0167   2.7759   7.5497   2.7849 -1.532947 3.932060 
1 1 1  -24   27    1 o   18.315   1.3150  334.053   46.464  344.207   62.949  321.898   68.869   18.647   1.7391   17.982   1.9729 0.6647549 2.629995 
1 1 1  -24   27    2 o   31.121   0.8283  951.880   49.508  974.516   65.876  922.501   75.048   31.570   1.0750   30.673   1.2604 0.8964443 1.656562 
1 1 1  -24   27    3 o   32.058   0.8394  1010.41   52.023  1071.73   71.930  943.160   75.330   33.098   1.1195   31.019   1.2511 2.079103 1.678848 
1 1 1  -24   27    4 o   33.237   0.8255  1080.93   53.204  1014.69   74.366  1150.38   76.149   32.189   1.1901   34.286   1.1442 -2.096348 1.650933 
1 1 1  -24   27    5 o   44.908   0.7123  1972.96   61.988  2094.56   87.296  1849.30   88.038   46.316   0.9709   43.501   1.0426 2.815880 1.424682 
1 1 1  -24   27    6 o   37.543   0.7451  1381.64   54.107  1435.87   74.391  1320.72   78.842   38.341   0.9995   36.745   1.1053 1.595531 1.490245 
1 1 1  -24   27    7 o   15.451   1.5399  241.752   43.489  168.231   59.198  327.953   64.100   12.714   2.4877   18.188   1.8156 -5.473765 3.079766 
1 1 1  -24   27    8 o   8.3354   2.1071   56.817   44.765   23.722   60.837   95.890   66.104   6.9969   2.8488   9.6740   3.1054 -2.677113 4.214180 
1 1 1  -24   27    9 o   20.922   1.0744  431.484   43.616  423.001   60.576  440.616   62.851   20.712   1.5067   21.133   1.5321 -0.4211769 2.148821 
1 1 1  -24   27   10 o   31.573   0.7766  978.998   47.441  1023.49   65.507  929.923   68.798   32.343   1.0434   30.803   1.1506 1.540419 1.553214 
1 1 1  -24   27   11 o   15.920   1.2906  251.425   39.783  228.411   54.561  277.549   58.131   15.138   1.8567   16.702   1.7930 -1.563862 2.581154 
1 1 1  -24   27   12 o   12.648   1.6512  165.479   39.061  222.456   57.005  115.048   53.631   14.902   1.9707   10.395   2.6499 4.506644 3.302326 
1 1 1  -24   27   13 o   14.690   1.9773  237.400   45.648  208.356   95.693  245.956   51.939   13.658   3.5695   15.721   1.7020 -2.062481 3.954521 
1 1 1  -24   27   14 o   10.896   2.1690   99.949   41.923  201.276   90.674   72.400   47.280   13.428   3.4578   8.3631   2.6195 5.064889 4.337949 
1 1 1  -24   27   15 o   19.945   1.4965  358.085   50.564  502.458  106.731  316.305   57.416   22.081   2.4900   17.809   1.6608 4.271658 2.993067 
1 1 1  -24   27   16 f   13.878   1.9219  169.175   47.107  315.888   92.449  117.724   54.747   17.340   2.7466   10.417   2.6891 6.923118 3.843837 
1 1 1  -24   27   17 o   12.735   2.2055  182.695   47.539  165.552  104.867  187.128   53.334   11.917   3.9177   13.554   2.0271 -1.636268 4.411047 
1 1 1  -24   28    1 o   27.509   0.9940  751.467   52.577  819.435   71.931  673.497   77.042   28.888   1.2827   26.129   1.5189 2.758966 1.988065 
1 1 1  -24   28    2 o   11.974   1.8663  162.331   46.754  252.004   62.285   46.578   70.765   15.892   2.0191   8.0558   3.1394 7.835723 3.732626 
1 1 1  -24   28    3 o   27.865   0.9078  760.035   49.034  723.478   67.218  801.613   71.686   27.153   1.2753   28.577   1.2923 -1.424469 1.815568 
1 1 1  -24   28    4 o   10.428   2.0495  115.001   42.936  115.797   58.858  114.095   62.773   10.464   2.8296   10.392   2.9657 0.7232094E-01 4.099085 
1 1 1  -24   28    5 o   23.461   1.0327  542.575   46.950  507.501   66.515  577.402   66.280   22.692   1.5100   24.229   1.4093 -1.536091 2.065442 
1 1 1  -24   28    6 o   24.833   1.0007  608.093   47.944  691.658   68.363  527.211   67.256   26.536   1.3272   23.130   1.4980 3.405968 2.001321 
1 1 1  -24   28    7 o   9.9337   1.9264  103.309   42.319  160.084   57.980   38.576   61.910   12.375   2.4997   7.4925   2.9318 4.882370 3.852803 
1 1 1  -24   28    8 o   8.0831   2.0662   58.636   41.615   60.610   57.432   56.455   60.382   8.1203   2.8921   8.0460   2.9518 0.7429504E-01 4.132474 
1 1 1  -24   28    9 o   13.164   1.7232  180.356   42.367  176.187   58.335  185.009   61.632   13.013   2.3978   13.315   2.4756 -0.3025160 3.446449 
1 1 1  -24   28   10 o   7.9721   2.0583   56.366   41.440   57.123   59.447   55.651   57.798   8.0224   2.9310   7.9218   2.8907 0.1006923 4.116679 
1 1 1  -24   28   11 o   9.9073   1.9066  102.641   39.088   65.333   54.253  142.910   56.366   8.1985   2.8189   11.616   2.5680 -3.417596 3.813241 
1 1 1  -24   28   12 o   28.651   1.0975  782.866   54.929  884.545  106.143  745.676   64.193   29.756   1.8376   27.546   1.2005 2.209814 2.194997 
1 1 1  -24   28   13 o   11.882   2.2703  120.523   49.075  249.231  100.440   80.161   56.245   14.943   3.5205   8.8211   2.8677 6.121679 4.540638 
1 1 1  -24   28   14 o   5.4387   1.7994 -48.8934   45.325 -143.7693   90.716 -17.3294   52.324   5.4685   2.6625   5.4089   2.4214 0.5961800E-01 3.598890 
1 1 1  -24   28   15 o   19.450   1.6304  387.447   52.968  387.665  105.841  387.375   61.181   19.185   2.8420   19.714   1.5987 -0.5288067 3.260814 
1 1 1  -24   28   16 o   11.384   2.1604  127.368   45.659  198.402   85.232   98.778   54.073   13.232   3.3229   9.5367   2.7619 3.695226 4.320874 
1 1 1  -24   28   17 o   12.322   2.2965  144.599   46.489  229.460  107.091  124.893   51.606   13.905   3.8406   10.740   2.5188 3.164536 4.592916 
1 1 1  -24   29    1 o   17.844   1.3919  320.704   47.789  352.173   65.840  285.668   69.473   18.818   1.8024   16.870   2.1215 1.947733 2.783772 
1 1 1  -24   29    2 o   36.297   0.7914  1288.98   55.629  1268.59   75.856  1312.70   81.827   35.996   1.0856   36.597   1.1518 -0.6004868 1.582788 
1 1 1  -24   29    3 o   18.375   1.3153  333.414   46.705  294.465   63.236  380.163   69.279   17.195   1.8945   19.555   1.8251 -2.360460 2.630602 
1 1 1  -24   29    4 o   26.323   0.9227  679.837   46.527  674.955   60.966  686.646   72.001   26.235   1.1971   26.410   1.4044 -0.1753006 1.845417 
1 1 1  -24   29    5 o   29.285   0.8840  843.890   50.117  879.164   69.343  805.314   72.516   29.942   1.1930   28.628   1.3049 1.313877 1.768058 
1 1 1  -24   29    6 o   8.9800   2.1396   79.793   44.493   92.697   62.120   66.198   63.759   9.4758   3.0071   8.4842   3.0445 0.9916086 4.279181 
1 1 1  -24   29    7 o   24.940   0.9642  617.642   46.151  659.156   62.188  566.748   68.856   25.912   1.2364   23.968   1.4799 1.943666 1.928411 
1 1 1  -24   29    8 o   11.587   1.8091  147.432   42.596  222.432   58.306   61.585   62.380   14.906   2.0150   8.2685   3.0053 6.637770 3.618277 
1 1 1  -24   29    9 o   21.429   1.0681  450.976   44.253  422.899   59.430  485.915   66.297   20.693   1.4795   22.165   1.5408 -1.472090 2.136129 
1 1 1  -24   29   10 o   27.327   0.8638  733.919   45.798  730.719   65.729  736.939   63.849   27.264   1.2420   27.391   1.2008 -0.1271076 1.727549 
1 1 1  -24   29   11 o   5.9414   1.8232  -6.1279   39.654 -27.2714   56.392   14.552   55.771   5.4329   2.4654   6.4499   2.6867 -1.017059 3.646469 
1 1 1  -24   29   12 f   24.312   1.1606  577.987   51.382  616.131   91.032  560.152   62.246   24.796   1.8913   23.828   1.3457 0.9674778 2.321160 
1 1 1  -24   29   13 o   10.285   2.3712   95.128   49.205  164.989   97.706   71.390   56.954   12.115   3.7609   8.4552   2.8888 3.659633 4.742306 
1 1 1  -24   29   14 o   9.6954   2.1901   72.693   51.776  183.506   83.729   4.0840   65.883   12.801   3.3358   6.5895   2.8390 6.211820 4.380295 
1 1 1  -24   29   15 o   8.4265   2.3047   60.401   54.129   8.1443   97.963   83.366   64.942   7.8661   3.4252   8.9869   3.0845 -1.120748 4.609333 
1 1 1  -24   29   16 o   22.591   1.3519  494.984   54.958  578.549  101.378  460.206   65.402   23.726   2.2011   21.456   1.5703 2.270435 2.703842 
1 1 1  -24   30    1 o   26.511   1.0046  695.264   51.182  708.152   68.127  678.564   77.550   26.826   1.3082   26.196   1.5250 0.6304359 2.009286 
1 1 1  -24   30    2 o   30.590   0.8771  926.141   51.668  1000.68   70.793  841.184   75.580   31.945   1.1416   29.235   1.3318 2.710001 1.754124 
1 1 1  -24   30    3 o   7.6591   2.0880   39.507   45.237   10.656   63.373   69.481   64.593   6.7124   2.8342   8.6058   3.0669 -1.893385 4.175957 
1 1 1  -24   30    4 o   45.056   0.7337  1993.79   63.863  2074.66   87.316  1900.78   93.648   46.063   0.9765   44.049   1.0952 2.014175 1.467320 
1 1 1  -24   30    5 o   17.104   1.4218  294.836   46.846  317.451   64.230  269.134   68.474   17.848   1.8539   16.359   2.1563 1.489281 2.843653 
1 1 1  -24   30    6 o   16.676   1.3808  279.763   44.313  295.707   60.064  260.719   65.644   17.238   1.7950   16.113   2.0987 1.124683 2.761572 
1 1 1  -24   30    7 o   11.959   1.9625  151.003   44.427  137.818   59.016  168.247   67.492   11.374   2.7113   12.545   2.8379 -1.170633 3.924920 
1 1 1  -24   30    8 o   15.525   1.5822  253.309   44.929  298.737   60.792  198.628   66.697   17.313   1.8089   13.737   2.5964 3.576380 3.164409 
1 1 1  -24   30    9 o   20.039   1.1262  399.093   43.500  407.061   58.534  389.264   65.011   20.291   1.4861   19.788   1.6924 0.5023136 2.252310 
1 1 1  -24   30   10 o   13.104   1.7505  180.643   42.871  186.343   59.940  174.673   61.343   13.348   2.4017   12.860   2.5475 0.4878988 3.501095 
1 1 1  -24   30   11 o   25.710   0.8839  647.463   43.961  577.376   60.058  728.360   64.523   24.211   1.2779   27.210   1.2216 -2.999107 1.767845 
1 1 1  -24   30   12 o   30.198   0.9595  871.678   52.306  979.921   95.371  825.113   62.552   31.410   1.5642   28.986   1.1117 2.423626 1.918980 
1 1 1  -24   30   13 o   11.856   2.2770  151.409   48.284  158.926  100.004  149.124   55.136   11.873   3.8204   11.839   2.4786 0.3404427E-01 4.554055 
1 1 1  -24   30   14 o   14.673   2.0670  238.891   53.195  213.528   95.267  250.382   64.123   13.662   3.5573   15.684   2.1061 -2.022311 4.134018 
1 1 1  -24   30   15 o   10.143   2.3901  111.862   52.523  103.725   98.222  115.120   62.156   10.072   3.7519   10.214   2.9620 -0.1429625 4.780188 
1 1 1  -24   31    1 o   12.973   2.0396  183.998   49.823  204.693   66.169  156.903   75.711   13.960   2.5351   11.986   3.1957 1.974288 4.079100 
1 1 1  -24   31    2 o   20.253   1.1606  401.386   45.287  359.608   59.800  457.570   69.348   19.041   1.6179   21.465   1.6643 -2.424036 2.321130 
1 1 1  -24   31    3 o   23.134   1.0869  524.901   48.545  486.075   64.666  575.035   73.482   22.172   1.5025   24.095   1.5710 -1.923084 2.173825 
1 1 1  -24   31    4 o   17.095   1.4270  290.595   47.127  266.901   63.004  320.693   71.008   16.319   1.9889   17.871   2.0469 -1.552311 2.854037 
1 1 1  -24   31    5 o   12.861   1.8627  175.064   44.940  170.162   63.333  180.036   63.779   12.666   2.6604   13.056   2.6077 -0.3901119 3.725323 
1 1 1  -24   31    6 o   17.844   1.3463  332.777   44.342  390.051   58.159  253.267   68.525   19.859   1.5087   15.829   2.2302 4.030351 2.692525 
1 1 1  -24   31    7 o   8.8926   1.9655   68.785   42.492   9.7545   57.589  139.326   62.954   6.4033   2.7027   11.382   2.8544 -4.978546 3.930938 
1 1 1  -24   31    8 f   10.093   1.9988  108.659   42.020   74.205   59.879  142.089   58.982   8.6531   2.9620   11.534   2.6847 -2.880663 3.997658 
1 1 1  -24   31    9 o   19.719   1.0941  381.880   41.664  438.632   62.178  335.632   56.130   21.043   1.5222   18.395   1.5719 2.648031 2.188174 
1 1 1  -24   31   10 o   8.5530   1.9132   71.690   39.331  115.857   53.710   20.620   57.756   10.400   2.6522   6.7058   2.7582 3.694541 3.826402 
1 1 1  -24   31   11 o   13.205   1.6221  181.580   40.306  164.390   58.838  196.780   55.328   12.447   2.5216   13.963   2.0413 -1.515786 3.244263 
1 1 1  -24   31   12 o   11.174   2.3315  110.877   47.891  208.427  100.436   82.170   54.484   13.495   3.7161   8.8541   2.8169 4.640691 4.663036 
1 1 1  -24   31   13 o   8.3089   2.3054   35.344   47.735  109.728   98.923   12.766   54.500   10.329   3.7798   6.2893   2.6405 4.039269 4.610783 
1 1 1  -24   31   14 o   8.6305   2.3822   56.208   50.921   90.089  103.570   45.408   58.476   9.8068   3.8046   7.4541   2.8680 2.352745 4.764469 
1 1 1  -24   31   15 o   8.0790   3.4133   30.056   92.006   30.056   92.006   0.0000   0.0000   8.0790   3.4133  ?   ?       ?      ? 
1 1 1  -24   32    1 o   12.782   2.0682  177.232   49.917  182.273   66.385  170.672   75.719   13.074   2.7050   12.491   3.1293 0.5823889 4.136386 
1 1 1  -24   32    2 o   21.982   1.1511  481.420   48.908  499.216   66.967  461.078   71.597   22.446   1.5369   21.518   1.7141 0.9280224 2.302224 
1 1 1  -24   32    3 o   11.360   2.0832  137.764   46.454  114.738   62.710  165.765   69.152   10.333   2.9691   12.388   2.9229 -2.055591 4.166371 
1 1 1  -24   32    4 o   17.415   1.3617  307.738   45.345  355.850   62.905  255.697   65.423   18.907   1.7139   15.923   2.1166 2.984016 2.723491 
1 1 1  -24   32    5 o   16.528   1.5941  268.004   50.231  230.641   64.092  327.496   80.876   15.104   2.1861   17.952   2.3208 -2.848384 3.188274 
1 1 1  -24   32    6 o   6.9955   1.9900   17.326   45.032   61.567   60.441 -37.8739   67.513   8.1799   2.9605   5.8112   2.6602 2.368686 3.980064 
1 1 1  -24   32    7 o   26.313   0.8968  680.718   45.689  669.169   62.219  694.235   67.309   26.082   1.2289   26.543   1.3063 -0.4610920 1.793509 
1 1 1  -24   32    8 o   20.771   1.1012  428.662   44.293  416.859   64.356  439.285   61.053   20.481   1.6187   21.062   1.4933 -0.5802803 2.202308 
1 1 1  -24   32    9 o   15.060   1.4474  229.196   42.137  205.113   59.387  253.613   59.796   14.233   2.1495   15.888   1.9389 -1.654944 2.894729 
1 1 1  -24   32   10 o   5.9852   1.8376  -2.4011   39.738   4.6412   55.519  -9.7989   56.902   6.1347   2.6237   5.8357   2.5735 0.2990379 3.675195 
1 1 1  -24   32   11 o   11.572   1.7857  143.705   39.014  158.668   54.327  127.770   56.062   12.262   2.3681   10.882   2.6733 1.380340 3.571303 
1 1 1  -24   32   12 o   17.762   1.6979  276.464   49.314  425.703  111.369  240.066   55.000   20.075   2.8579   15.449   1.8340 4.626538 3.395735 
1 1 1  -24   32   13 o   21.093   1.3205  444.371   47.262  459.786   93.349  439.058   54.806   21.137   2.2751   21.049   1.3413 0.8753014E-01 2.641084 
1 1 1  -24   32   14 o   11.231   4.0177  141.948  110.955  141.948  110.955   0.0000   0.0000   11.231   4.0177  ?   ?       ?      ? 
1 1 1  -24   33    1 o   21.382   1.2075  466.089   48.757  514.843   64.335  400.301   74.734   22.804   1.4533   19.960   1.9289 2.844713 2.415091 
1 1 1  -24   33    2 f   10.331   2.1681  113.818   46.798   95.340   63.657  135.549   69.033   9.5165   3.0466   11.145   3.0857 -1.628034 4.336264 
1 1 1  -24   33    3 o   35.774   0.8130  1257.96   56.397  1275.45   78.359  1239.16   81.234   36.043   1.1200   35.504   1.1787 0.5383568 1.625903 
1 1 1  -24   33    4 o   6.9763   1.9923   19.143   44.841   58.113   59.094 -33.7492   68.845   8.0058   2.9227   5.9468   2.7084 2.059013 3.984688 
1 1 1  -24   33    5 o   9.6512   2.1126   93.049   44.054   63.966   57.410  134.701   68.705   8.1845   2.8940   11.118   3.0783 -2.933502 4.225101 
1 1 1  -24   33    6 o   16.446   1.4823  272.834   47.075  269.569   63.283  276.879   70.438   16.367   1.9918   16.524   2.1959 -0.1573658 2.964686 
1 1 1  -24   33    7 o   6.0032   1.8944 -19.2090   44.966 -31.8934   61.647  -4.7873   65.734   5.6105   2.5582   6.3959   2.7948 -0.7854004 3.788826 
1 1 1  -24   33    8 o   35.219   0.7453  1215.73   50.859  1200.38   69.671  1233.24   74.414   34.991   1.0257   35.447   1.0815 -0.4559326 1.490533 
1 1 1  -24   33    9 o   35.907   0.7373  1262.65   51.343  1204.56   70.892  1326.73   74.461   35.040   1.0422   36.774   1.0431 -1.733707 1.474545 
1 1 1  -24   33   10 o   51.239   0.8881  2595.49   80.040  2575.69  148.365  2603.62   95.060   50.925   1.5009   51.553   0.9499 -0.6284180 1.776199 
1 1 1  -24   33   11 o   34.015   0.9664  1112.81   57.591  1223.93  110.094  1070.94   67.574   35.013   1.6199   33.018   1.0543 1.995033 1.932743 
1 1 1  -24   33   12 o   8.5369   2.4062   50.942   49.495   80.980  113.469   43.884   55.003   9.7788   3.9229   7.2950   2.7875 2.483855 4.812377 
1 1 1  -24   33   13 o   8.9325   2.5791   45.798   76.374  109.280   98.620 -49.3196  120.718   10.215   3.7686   7.6499   3.5222 2.565162 5.158291 
1 1 1  -24   34    1 o   15.306   1.7843  251.016   49.902  275.708   65.111  215.863   77.688   16.513   2.0312   14.098   2.9342 2.415136 3.568631 
1 1 1  -24   34    2 o   7.1575   1.9557   12.463   46.486   85.472   61.951 -81.6211   70.326   9.0823   3.0124   5.2326   2.4950 3.849709 3.911451 
1 1 1  -24   34    3 o   27.830   0.9487  764.443   51.191  714.309   71.439  817.354   73.391   26.883   1.3689   28.778   1.3138 -1.894220 1.897368 
1 1 1  -24   34    4 o   8.5356   2.0923   69.812   44.562  101.351   60.010   31.044   66.533   9.7249   2.9340   7.3464   2.9838 2.378533 4.184674 
1 1 1  -24   34    5 o   9.2176   2.2027   85.389   46.295   73.930   60.323  101.811   72.213   8.6111   2.9718   9.8241   3.2520 -1.212956 4.405360 
1 1 1  -24   34    6 o   32.888   0.8303  1063.07   52.965  1041.27   73.161  1087.09   76.778   32.540   1.1582   33.236   1.1900 -0.6962242 1.660631 
1 1 1  -24   34    7 o   48.373   0.7051  2291.98   66.187  2228.89   92.033  2359.55   95.254   47.686   0.9942   49.061   1.0002 -1.374920 1.410283 
1 1 1  -24   34    8 o   19.917   1.1316  399.440   43.223  452.030   59.779  341.825   62.570   21.354   1.4421   18.480   1.7442 2.873791 2.263173 
1 1 1  -24   34    9 o   11.573   1.9185  145.567   42.677  173.994   60.466  117.348   60.243   12.774   2.5280   10.372   2.8864 2.402308 3.836934 
1 1 1  -24   34   10 o   18.571   1.1621  344.765   41.879  333.791   58.864  356.015   59.596   18.266   1.6601   18.876   1.6265 -0.6095791 2.324101 
1 1 1  -24   34   11 o   24.462   1.2980  575.365   54.143  665.640  109.019  545.809   62.380   25.468   2.2052   23.456   1.3700 2.012419 2.596090 
1 1 1  -24   34   12 f   18.000   1.6861  260.332   48.038  490.319  117.015  213.714   52.682   21.468   2.8080   14.533   1.8674 6.934663 3.372237 
1 1 1  -24   35    1 o   25.390   1.1757  643.063   57.836  701.460   83.765  589.863   79.952   26.504   1.6281   24.275   1.6967 2.228790 2.351497 
1 1 1  -24   35    2 o   20.090   1.3964  429.168   51.273  504.193   66.664  320.512   80.226   22.515   1.5253   17.665   2.3395 4.849756 2.792818 
1 1 1  -24   35    3 o   23.591   1.0922  543.552   49.502  484.393   64.608  627.645   77.030   22.079   1.5075   25.103   1.5808 -3.024538 2.184321 
1 1 1  -24   35    4 o   23.263   1.1063  537.845   49.854  527.158   68.066  550.212   73.223   23.029   1.5226   23.496   1.6054 -0.4672871 2.212604 
1 1 1  -24   35    5 o   29.600   0.8843  865.416   50.555  876.326   68.419  852.297   75.029   29.832   1.1815   29.369   1.3160 0.4625111 1.768592 
1 1 1  -24   35    6 o   25.054   1.0056  621.159   48.737  609.727   65.993  634.875   72.284   24.819   1.3697   25.288   1.4725 -0.4684353 2.011112 
1 1 1  -24   35    7 o   27.061   0.9843  724.332   51.650  681.694   71.521  770.805   74.668   26.225   1.4049   27.897   1.3788 -1.672102 1.968511 
1 1 1  -24   35    8 o   20.618   1.1364  424.395   45.296  375.987   63.177  475.603   64.978   19.381   1.6792   21.854   1.5317 -2.472528 2.272864 
1 1 1  -24   35    9 o   31.431   0.7750  968.853   47.176  925.435   64.134  1020.04   69.639   30.674   1.0771   32.189   1.1145 -1.514791 1.549914 
1 1 1  -24   35   10 o   36.911   1.0265  1306.32   62.724  1452.97  131.070  1262.76   71.434   37.978   1.7779   35.844   1.0267 2.134190 2.053031 
1 1 1  -24   35   11 o   16.495   1.4757  264.802   43.762  314.761   81.077  244.263   51.985   17.406   2.3996   15.585   1.7183 1.820789 2.951372 
1 1 1  -24   36    1 o   18.769   1.7931  372.889   64.158  410.110   86.397  327.130   95.795   19.979   2.2277   17.559   2.8104 2.420248 3.586238 
1 1 1  -24   36    2 o   13.141   2.3168  187.541   61.075  114.380   81.027  283.793   92.938   10.246   3.4459   16.036   3.0977 -5.790581 4.633590 
1 1 1  -24   36    3 o   5.9121   1.9273 -87.6959   56.524   12.333   78.134 -197.5268   81.872   7.2501   3.1070   4.5740   2.2814 2.676055 3.854623 
1 1 1  -24   36    4 o   8.9825   2.3223   78.812   52.676   72.556   79.706   83.663   70.189   8.8913   3.3656   9.0737   3.2009 -0.1823826 4.644642 
1 1 1  -24   36    5 o   8.4394   2.2044   62.130   49.951   23.277   71.906   98.364   69.441   7.2826   3.0436   9.5962   3.1896 -2.313609 4.408737 
1 1 1  -24   36    6 o   29.491   1.0175  877.503   57.016  784.819   87.189  946.748   75.363   28.027   1.6026   30.955   1.2542 -2.927593 2.035007 
1 1 1  -24   36    7 o   25.518   1.1081  657.518   53.092  618.692   85.247  682.120   67.859   24.797   1.7710   26.239   1.3323 -1.442293 2.216139 
1 1 1  -24   36    8 o   12.780   1.9100  181.818   47.309  107.027   68.053  251.766   65.813   9.8873   3.1484   15.673   2.1632 -5.785881 3.819959 
1 1 1  -24   36    9 o   19.086   1.5983  364.558   59.218   0.0000   0.0000  364.558   59.218  ?   ?    19.086   1.5983      ?      ? 
1 1 1  -24   37    1 o   19.606   1.6649  397.782   62.820  393.612   83.483  403.227   95.383   19.568   2.1978   19.644   2.5013 -0.7633209E-01 3.329702 
1 1 1  -24   37    2 o   9.7478   2.3371   88.767   58.173   18.192   80.216  167.060   84.489   7.4293   3.1650   12.066   3.4396 -4.637195 4.674190 
1 1 1  -24   37    3 o   21.944   1.4725  491.756   62.668  464.189   87.780  520.414   89.498   21.295   2.1235   22.593   2.0407 -1.297606 2.945091 
1 1 1  -24   37    4 o   6.6953   2.0449 -22.9364   55.332   51.635   71.308 -135.7768   87.717   8.0210   3.1443   5.3697   2.6152 2.651287 4.089770 
1 1 1  -24   37    5 o   7.6752   2.2688   28.854   56.536   31.686   78.413   25.789   81.590   7.6940   3.1937   7.6564   3.2234 0.3753376E-01 4.537663 
1 1 1  -24   37    6 o   32.837   1.0473  1068.92   66.562  968.721   90.750  1185.59   97.925   31.169   1.4999   34.505   1.4620 -3.335827 2.094537 
1 1 1  -24   37    7 o   5.5627   2.6259 -68.5990   74.174   0.0000   0.0000 -68.5990   74.174  ?   ?    5.5627   2.6259      ?      ? 
1 1 1  -23    0    1 o   59.959   1.0190  3500.29  118.409  3547.21  170.199  3456.29  164.840   60.347   1.4548   59.571   1.4273 -0.000000 0.000000 
1 1 1  -23    0    2 o  118.057   1.5020 13587.38  343.918 13827.92  491.133 13355.95  481.749  119.082   2.1262  117.031   2.1221 -0.000000 0.000000 
1 1 1  -23    0    3 f   63.692   1.0239  3950.04  126.444  3940.53  178.564  3959.61  179.074   63.615   1.4477   63.769   1.4483 -0.000000 0.000000 
1 1 1  -23    0    4 o   69.054   1.0232  4643.55  136.903  4682.38  190.191  4601.80  197.220   69.359   1.4139   68.749   1.4794 -0.000000 0.000000 
1 1 1  -23    0    5 o   44.110   1.0299  1897.29   87.828  1887.88  120.712  1907.88  128.024   44.000   1.4166   44.221   1.4953 -0.000000 0.000000 
1 1 1  -23    0    6 o   72.826   1.0552  5163.71  148.991  5301.29  211.237  5027.50  210.178   73.795   1.4760   71.857   1.5083 -0.000000 0.000000 
1 1 1  -23    0    7 o   76.720   1.0708  5729.44  159.176  5700.40  219.996  5761.35  230.594   76.521   1.4823   76.920   1.5458 -0.000000 0.000000 
1 1 1  -23    0    8 o   13.795   2.5375  244.650   64.462  373.104   89.296  104.865   93.151   19.068   2.5382   8.5206   4.3946 -0.000000 0.000000 
1 1 1  -23    0    9 o   31.898   1.1998  996.782   73.593  975.586   99.861  1021.98  108.874   31.536   1.6414   32.260   1.7503 -0.000000 0.000000 
1 1 1  -23    0   10 o   58.082   0.9794  3288.39  110.123  3504.74  156.273  3074.99  155.206   59.990   1.3435   56.173   1.4254 -0.000000 0.000000 
1 1 1  -23    0   11 o   15.469   7.6218 -733.8068  826.371 -500.3219  1104.00 -1031.3180  1246.21   15.763   10.864   15.175   10.693 -0.000000 0.000000 
1 1 1  -23    0   12 o   84.451   1.1298  6944.65  184.965  6769.50  256.651  7133.93  266.805   83.345   1.5876   85.557   1.6078 -0.000000 0.000000 
1 1 1  -23    0   13 o   96.876   1.2560  9158.85  235.919  9293.57  330.420  9018.76  336.957   97.612   1.7451   96.140   1.8070 -0.000000 0.000000 
1 1 1  -23    0   14 o   44.241   0.9854  1911.80   84.358  2010.33  119.442  1813.73  119.160   45.389   1.3584   43.094   1.4280 -0.000000 0.000000 
1 1 1  -23    0   15 o   8.6057   4.2596  108.717   85.635  108.717   85.635   0.0000   0.0000   8.6057   4.2596   8.6057   4.2596 -0.000000 0.000000 
1 1 1  -23    0   16 o   24.974   1.7778  617.852   85.185  617.852   85.185   0.0000   0.0000   24.974   1.7778   24.974   1.7778 -0.000000 0.000000 
1 1 1  -23    0   17 o   22.094   1.9827  488.986   83.462  488.986   83.462   0.0000   0.0000   22.094   1.9827   22.094   1.9827 -0.000000 0.000000 
1 1 1  -23    0   18 o   11.462   4.0400  171.796   81.624  171.796   81.624   0.0000   0.0000   11.462   4.0400   11.462   4.0400 -0.000000 0.000000 
1 1 1  -23    0   19 o   6.2935   3.8113   41.197   85.958   41.197   85.958   0.0000   0.0000   6.2935   3.8113   6.2935   3.8113 -0.000000 0.000000 
1 1 1  -23    0   20 o   8.8769   4.1837  117.352   81.309  117.352   81.309   0.0000   0.0000   8.8769   4.1837   8.8769   4.1837 -0.000000 0.000000 
1 1 1  -23    0   21 o   25.701   1.8402  658.589   90.723  658.589   90.723   0.0000   0.0000   25.701   1.8402   25.701   1.8402 -0.000000 0.000000 
1 1 1  -23    0   22 o   4.8949   3.3277 -44.4854   96.020 -44.4854   96.020   0.0000   0.0000   4.8949   3.3277   4.8949   3.3277 -0.000000 0.000000 
1 1 1  -23    0   23 o   12.525   4.3743  210.430   96.228  210.430   96.228   0.0000   0.0000   12.525   4.3743   12.525   4.3743 -0.000000 0.000000 
1 1 1  -23    0   24 o   5.4371   3.6083 -14.1982  100.996 -14.1982  100.996   0.0000   0.0000   5.4371   3.6083   5.4371   3.6083 -0.000000 0.000000 
1 1 1  -23    1    1 o   19.145   1.4024  358.322   52.082  342.294   73.584  374.412   73.726   18.713   2.0257   19.577   1.9400 -0.8639545 2.804818 
1 1 1  -23    1    2 o   44.316   0.7348  1909.67   63.207  1880.76   89.428  1938.52   89.349   43.980   1.0475   44.651   1.0308 -0.6714287 1.469648 
1 1 1  -23    1    3 o   23.771   1.1322  550.092   52.200  582.467   75.078  519.796   72.627   24.448   1.5820   23.093   1.6201 1.354929 2.264413 
1 1 1  -23    1    4 o   52.571   0.6887  2683.74   70.233  2762.72  101.533  2611.27   97.254   53.311   0.9811   51.830   0.9666 1.480652 1.377303 
1 1 1  -23    1    5 o   58.613   0.6986  3339.77   79.472  3342.85  111.379  3336.58  113.431   58.642   0.9784   58.585   0.9974 0.5680847E-01 1.397207 
1 1 1  -23    1    6 o   50.857   0.6945  2514.27   68.558  2463.32   96.588  2566.00   97.327   50.338   0.9885   51.377   0.9759 -1.039444 1.389037 
1 1 1  -23    1    7 o   40.964   0.7187  1630.35   56.978  1647.61   84.134  1615.74   77.439   41.162   1.0530   40.767   0.9786 0.3947525 1.437466 
1 1 1  -23    1    8 o   31.919   0.8289  995.297   51.060  1116.70   72.135  873.394   72.284   33.882   1.0967   29.956   1.2431 3.926920 1.657741 
1 1 1  -23    1    9 o   44.928   0.7035  1963.48   61.290  1975.84   84.944  1950.06   88.522   45.077   0.9708   44.778   1.0184 0.2991982 1.406947 
1 1 1  -23    1   10 f   10.975   2.0208  122.612   43.742  144.557   63.097  102.307   60.693   11.876   2.7852   10.074   2.9285 1.801353 4.041504 
1 1 1  -23    1   11 o   43.701   0.6743  1857.26   57.205  1844.96   80.669  1869.69   81.133   43.556   0.9541   43.847   0.9532 -0.2909813 1.348692 
1 1 1  -23    1   12 o   39.718   0.8669  1494.68   63.387  1411.54   77.177  1667.03  111.115   38.086   1.0439   41.350   1.3843 -3.263203 1.733793 
1 1 1  -23    1   13 o   31.900   0.8072  986.589   49.865  1059.12   73.658  925.222   67.752   32.976   1.1507   30.823   1.1324 2.153204 1.614388 
1 1 1  -23    1   14 o   38.672   0.7211  1455.89   54.121  1413.07   76.176  1499.53   76.906   38.097   1.0301   39.248   1.0094 -1.150646 1.442222 
1 1 1  -23    1   15 o   50.235   0.9238  2454.41   89.929  2625.89  131.742  2304.78  123.060   51.872   1.3083   48.598   1.3045 3.274296 1.847544 
1 1 1  -23    1   16 o   29.096   1.1801  831.687   66.496  879.241   92.949  781.833   95.170   29.962   1.5981   28.230   1.7367 1.731432 2.360106 
1 1 1  -23    1   17 o   17.478   1.7302  304.338   58.638  318.400   82.600  290.051   83.258   17.897   2.3776   17.058   2.5144 0.8391304 3.460476 
1 1 1  -23    1   18 o   9.9597   2.4346   95.031   57.259   94.564   81.743   95.481   80.230   9.9588   3.4581   9.9607   3.4278 -0.1845360E-02 4.869165 
1 1 1  -23    1   19 o   18.272   1.7425  335.513   61.777  348.681   88.787  323.155   86.012   18.621   2.4563   17.922   2.4723 0.6986275 3.485062 
1 1 1  -23    1   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23    1   21 o   10.036   2.3156   67.193   64.764  199.628   92.459 -60.3751   90.744   13.505   3.4987   6.5669   3.0343 6.937717 4.631183 
1 1 1  -23    1   22 o   12.472   2.5863  172.009   67.813  210.017   95.817  133.864   95.987   13.744   3.5622   11.201   3.7507 2.543006 5.172669 
1 1 1  -23    1   23 o   16.872   2.2561  309.855   71.165  293.970   99.386  326.569  101.948   16.392   3.2383   17.352   3.1423 -0.9603806 4.512258 
1 1 1  -23    1   24 f   10.910   2.6447  125.476   69.343  177.060  101.351   80.077   95.081   12.380   3.8283   9.4391   3.6500 2.941287 5.289399 
1 1 1  -23    2    1 o  100.245   0.9243  9782.32  179.854  9818.72  255.269  9746.44  253.445  100.430   1.3094  100.061   1.3048 0.3692932 1.848542 
1 1 1  -23    2    2 o  110.300   0.9783 11845.67  209.462 11732.52  295.591 11959.80  296.862  109.770   1.3872  110.830   1.3799 -1.059982 1.956619 
1 1 1  -23    2    3 o   53.952   0.7053  2830.15   73.846  2813.11  105.610  2846.45  103.297   53.792   1.0114   54.112   0.9834 -0.3202705 1.410676 
1 1 1  -23    2    4 o   40.817   0.7352  1620.15   58.224  1560.91   82.200  1679.80   82.482   40.067   1.0569   41.567   1.0222 -1.500198 1.470352 
1 1 1  -23    2    5 o   32.504   0.8561  1026.95   53.955  1045.71   78.498  1010.14   74.285   32.783   1.2335   32.224   1.1876 0.5595131 1.712261 
1 1 1  -23    2    6 o   60.974   0.7007  3614.35   82.917  3524.93  116.902  3704.88  117.626   60.214   1.0001   61.734   0.9816 -1.519775 1.401336 
1 1 1  -23    2    7 o   71.962   0.7347  5032.85  102.584  5124.63  147.763  4947.44  142.530   72.594   1.0486   71.330   1.0294 1.263580 1.469390 
1 1 1  -23    2    8 o   47.602   0.6828  2202.65   63.083  2231.14   90.012  2175.16   88.436   47.904   0.9680   47.300   0.9632 0.6043777 1.365530 
1 1 1  -23    2    9 o   59.203   0.6783  3407.62   77.943  3379.65  109.371  3436.48  111.105   58.956   0.9557   59.449   0.9628 -0.4928398 1.356553 
1 1 1  -23    2   10 o   59.258   0.6812  3411.41   78.322  3527.35  113.006  3304.22  108.651   60.226   0.9666   58.291   0.9602 1.935265 1.362476 
1 1 1  -23    2   11 o   20.647   1.2111  423.162   47.633  337.582   68.478  503.385   66.301   18.576   1.8990   22.717   1.5035 -4.141039 2.422132 
1 1 1  -23    2   12 o   26.217   1.1465  651.395   54.936  615.270   66.396  729.802   97.818   25.122   1.3615   27.311   1.8451 -2.188475 2.293045 
1 1 1  -23    2   13 o   63.210   0.6933  3886.62   85.048  3935.24  122.065  3840.75  118.565   63.593   0.9888   62.828   0.9722 0.7654495 1.386673 
1 1 1  -23    2   14 o   60.465   0.6806  3557.96   79.883  3534.28  112.405  3582.13  113.547   60.262   0.9609   60.668   0.9642 -0.4059982 1.361221 
1 1 1  -23    2   15 o   29.946   1.1679  877.278   67.861  845.487   94.486  911.149   97.526   29.385   1.6564   30.507   1.6469 -1.121246 2.335794 
1 1 1  -23    2   16 o   30.637   1.1031  918.179   65.559  966.607   94.120  872.540   91.370   31.424   1.5430   29.850   1.5768 1.573780 2.206172 
1 1 1  -23    2   17 o   19.820   1.5380  389.100   59.163  392.010   83.066  386.105   84.287   19.900   2.1503   19.741   2.1996 0.1593742 3.076024 
1 1 1  -23    2   18 o   12.651   2.3200  169.076   58.130  206.797   83.451  133.521   81.019   13.994   3.1483   11.309   3.4085 2.684688 4.639992 
1 1 1  -23    2   19 o   33.074   1.0975  1080.49   70.166  972.763   99.631  1186.50   98.833   31.407   1.6342   34.740   1.4656 -3.332985 2.195076 
1 1 1  -23    2   20 o   13.242   2.4052  189.314   62.203  198.441   87.346  179.922   88.605   13.578   3.3376   12.907   3.4640 0.6703100 4.810304 
1 1 1  -23    2   21 o   14.369   2.2074  221.673   61.649  293.646   87.236  149.868   87.134   16.966   2.6489   11.773   3.5317 5.192453 4.414722 
1 1 1  -23    2   22 o   32.827   1.1327  1068.51   72.167  1089.10  102.176  1048.01  101.943   33.148   1.5879   32.505   1.6156 0.6432724 2.265312 
1 1 1  -23    2   23 f   36.896   1.1144  1352.30   79.744  1352.51  115.238  1352.11  110.464   36.881   1.6097   36.912   1.5417 -0.3105164E-01 2.228839 
1 1 1  -23    2   24 o   8.3746   2.4750   36.105   67.351   25.804   95.159   46.445   95.338   8.1426   3.4575   8.6067   3.5423 -0.4641008 4.949918 
1 1 1  -23    3    1 o   54.267   0.7081  2863.32   74.595  2867.63  105.104  2858.95  105.885   54.308   0.9970   54.225   1.0059 0.8308792E-01 1.416296 
1 1 1  -23    3    2 f   60.358   0.7089  3535.96   82.988  3699.08  120.352  3388.08  114.585   61.682   1.0051   59.033   0.9999 2.649368 1.417801 
1 1 1  -23    3    3 o   45.184   0.7211  1984.88   63.248  1976.14   89.259  1993.69   89.634   45.084   1.0199   45.284   1.0197 -0.1997223 1.442216 
1 1 1  -23    3    4 o   27.648   0.9530  742.560   51.074  771.693   74.752  717.053   69.945   28.154   1.3678   27.142   1.3276 1.012663 1.906098 
1 1 1  -23    3    5 o   85.113   0.8088  7045.88  133.623  7094.54  189.841  6998.10  188.113   85.404   1.1451   84.822   1.1425 0.5820694 1.617561 
1 1 1  -23    3    6 o   59.976   0.6935  3497.02   80.742  3492.74  114.621  3501.23  113.757   59.939   0.9851   60.013   0.9765 -0.7368469E-01 1.387081 
1 1 1  -23    3    7 o   66.357   0.7072  4280.94   91.089  4304.26  129.920  4258.40  127.745   66.534   1.0059   66.180   0.9944 0.3540802 1.414446 
1 1 1  -23    3    8 o   34.869   0.7875  1182.77   53.290  1185.29   76.312  1180.37   74.450   34.905   1.1263   34.834   1.1010 0.7070160E-01 1.575034 
1 1 1  -23    3    9 o   39.962   0.7181  1550.17   55.654  1467.56   76.885  1641.10   80.663   38.845   1.0196   41.078   1.0116 -2.233261 1.436291 
1 1 1  -23    3   10 o   28.607   0.8653  797.076   47.924  873.607   68.446  723.472   67.124   29.958   1.1770   27.256   1.2687 2.701880 1.730556 
1 1 1  -23    3   11 o   34.872   0.7695  1183.72   52.069  1169.84   74.485  1196.99   72.816   34.670   1.1067   35.073   1.0695 -0.4031067 1.539058 
1 1 1  -23    3   12 o   45.744   0.6717  2035.09   59.626  2103.96   84.855  1967.93   83.804   46.510   0.9399   44.979   0.9598 1.530727 1.343363 
1 1 1  -23    3   13 o   35.765   0.7400  1245.08   51.350  1245.86   73.726  1244.34   71.561   35.774   1.0617   35.755   1.0310 0.1871872E-01 1.479917 
1 1 1  -23    3   14 o   53.279   0.6736  2762.54   69.665  2762.95   98.918  2762.13   98.129   53.282   0.9564   53.275   0.9489 0.6809235E-02 1.347226 
1 1 1  -23    3   15 o   49.238   0.9387  2366.59   89.710  2360.78  127.913  2372.22  125.851   49.176   1.3400   49.300   1.3150 -0.1243095 1.877462 
1 1 1  -23    3   16 o   30.230   1.1040  890.971   64.643  969.224   94.930  823.313   88.270   31.464   1.5543   28.997   1.5682 2.467144 2.207958 
1 1 1  -23    3   17 f   6.2004   2.0254 -71.5686   57.994 -24.0084   84.541 -113.8422   79.704   7.0080   3.1113   5.3929   2.5939 1.615041 4.050710 
1 1 1  -23    3   18 o   25.500   1.2692  643.192   62.597  618.013   91.360  665.471   85.938   25.008   1.8820   25.992   1.7033 -0.9844074 2.538301 
1 1 1  -23    3   19 o   26.006   1.2745  670.636   64.178  621.518   91.218  718.784   90.311   25.040   1.8766   26.972   1.7249 -1.931791 2.548913 
1 1 1  -23    3   20 o   23.807   1.3475  562.260   62.186  570.981   90.678  554.517   85.444   23.969   1.9489   23.645   1.8615 0.3238430 2.695087 
1 1 1  -23    3   21 o   11.163   2.5334  130.762   62.634  156.266   90.736  107.549   86.566   11.997   3.6051   10.329   3.5603 1.667653 5.066814 
1 1 1  -23    3   22 o   8.4544   2.4330   35.797   64.887  -9.9480   94.153   77.177   89.549   7.5137   3.3121   9.3950   3.5647 -1.881243 4.865913 
1 1 1  -23    3   23 o   25.437   1.4866  655.011   73.302  688.460  103.230  620.993  104.105   26.124   2.0356   24.749   2.1670 1.375343 2.973140 
1 1 1  -23    3   24 o   12.962   2.6307  193.587   73.701  116.162  104.960  268.890  103.512   10.562   3.8892   15.361   3.5435 -4.799321 5.261416 
1 1 1  -23    4    1 o   40.723   0.7342  1613.14   58.020  1640.20   81.538  1585.38   82.576   41.070   1.0227   40.376   1.0536 0.6944313 1.468350 
1 1 1  -23    4    2 o   57.673   0.7095  3233.44   79.419  3266.77  113.206  3201.14  111.444   57.965   1.0061   57.380   1.0005 0.5847092 1.418901 
1 1 1  -23    4    3 o   70.163   0.7337  4784.27   99.884  4861.27  143.796  4712.48  138.848   70.707   1.0477   69.619   1.0274 1.088058 1.467372 
1 1 1  -23    4    4 o   26.382   1.0072  679.392   51.456  637.213   73.646  719.620   71.924   25.576   1.4834   27.188   1.3628 -1.611227 2.014358 
1 1 1  -23    4    5 o   54.205   0.6954  2856.33   73.174  2837.51  103.303  2875.28  103.666   54.026   0.9850   54.384   0.9820 -0.3586769 1.390877 
1 1 1  -23    4    6 o   28.493   0.9403  790.431   52.004  784.798   73.856  795.970   73.238   28.392   1.3400   28.595   1.3194 -0.2026939 1.880586 
1 1 1  -23    4    7 o   47.604   0.6880  2202.05   63.556  2274.24   91.008  2133.32   88.797   48.366   0.9693   46.843   0.9765 1.522968 1.375952 
1 1 1  -23    4    8 o   43.371   0.7187  1829.22   60.475  1831.08   87.091  1827.48   84.038   43.391   1.0340   43.351   0.9986 0.3980255E-01 1.437495 
1 1 1  -23    4    9 o   42.702   0.7050  1770.62   58.392  1856.94   84.467  1691.62   80.811   43.697   0.9958   41.706   0.9982 1.990669 1.409950 
1 1 1  -23    4   10 f   48.469   0.6659  2283.04   62.615  2324.50   90.357  2244.74   86.850   48.891   0.9521   48.047   0.9312 0.8440971 1.331734 
1 1 1  -23    4   11 o   34.812   0.7630  1182.22   51.429  1114.58   73.894  1245.76   71.623   33.840   1.1249   35.784   1.0311 -1.943985 1.525976 
1 1 1  -23    4   12 o   46.822   0.6687  2132.13   60.741  2140.80   87.431  2124.04   84.448   46.912   0.9601   46.731   0.9309 0.1808243 1.337314 
1 1 1  -23    4   13 o   54.007   0.6632  2837.35   69.520  2807.65   97.773  2867.72   98.867   53.721   0.9376   54.292   0.9381 -0.5715866 1.326314 
1 1 1  -23    4   14 o   49.077   0.6593  2343.34   62.796  2365.68   89.826  2321.99   87.821   49.305   0.9385   48.849   0.9261 0.4556770 1.318550 
1 1 1  -23    4   15 o   9.7469   2.4771   78.478   61.155  115.351   87.668   43.528   85.352   10.865   3.5825   8.6292   3.4218 2.235385 4.954134 
1 1 1  -23    4   16 o   10.128   2.4303   90.270   58.430  140.073   87.987   50.980   78.150   11.685   3.5588   8.5709   3.3105 3.114464 4.860501 
1 1 1  -23    4   17 o   15.666   1.9451  250.387   57.726  264.990   80.550  234.969   82.767   16.292   2.5470   15.040   2.9403 1.251932 3.890101 
1 1 1  -23    4   18 o   27.132   1.1630  725.680   61.011  710.244   89.820  738.904   83.134   26.846   1.7236   27.419   1.5619 -0.5734367 2.326019 
1 1 1  -23    4   19 o   15.317   2.0646  244.876   59.733  296.405   85.158  194.967   83.808   17.137   2.5599   13.497   3.2398 3.639720 4.129125 
1 1 1  -23    4   20 o   19.666   1.5694  385.378   59.665  339.622   81.741  437.559   87.291   18.403   2.2881   20.929   2.1487 -2.525372 3.138831 
1 1 1  -23    4   21 o   29.592   1.2041  872.278   68.781  780.045   98.303  960.736   96.271   28.013   1.8078   31.172   1.5910 -3.158638 2.408188 
1 1 1  -23    4   22 o   24.834   1.4055  624.240   67.069  560.333   98.467  679.549   91.604   23.568   2.1523   26.100   1.8080 -2.532166 2.810911 
1 1 1  -23    4   23 o   29.601   1.3110  876.799   75.236  909.696  109.778  847.661  103.317   30.111   1.8781   29.091   1.8296 1.020624 2.621947 
1 1 1  -23    4   24 o   9.8810   2.6272   90.484   70.546   45.549   99.735  135.479   99.799   8.6983   3.6055   11.064   3.8222 -2.365517 5.254412 
1 1 1  -23    5    1 o   32.365   0.8579  1020.76   53.830  1063.23   75.374  976.534   76.903   33.056   1.1746   31.675   1.2507 1.381718 1.715848 
1 1 1  -23    5    2 o   76.984   0.7610  5762.94  113.712  5812.50  162.506  5715.41  159.173   77.307   1.0829   76.661   1.0696 0.6464615 1.522086 
1 1 1  -23    5    3 o   84.384   0.8143  6926.75  133.381  6943.76  189.197  6909.95  188.066   84.487   1.1536   84.282   1.1495 0.2052841 1.628550 
1 1 1  -23    5    4 o   43.450   0.7316  1834.93   61.691  1796.07   86.222  1875.69   88.303   42.979   1.0335   43.921   1.0357 -0.9421349 1.463140 
1 1 1  -23    5    5 o   22.602   1.1332  499.439   49.547  542.939   69.694  454.986   70.454   23.605   1.5210   21.600   1.6803 2.005692 2.266461 
1 1 1  -23    5    6 o   72.801   0.7415  5153.31  104.780  5211.59  149.249  5096.67  147.136   73.207   1.0503   72.395   1.0470 0.8112488 1.482976 
1 1 1  -23    5    7 o   61.999   0.6975  3737.00   83.935  3687.12  118.057  3787.99  119.359   61.580   0.9876   62.417   0.9851 -0.8369408 1.394921 
1 1 1  -23    5    8 o   65.326   0.7009  4145.54   88.832  4271.36  128.381  4029.97  123.044   66.275   0.9979   64.377   0.9846 1.898315 1.401874 
1 1 1  -23    5    9 o   16.351   1.4937  261.543   47.379  269.926   68.497  253.853   65.604   16.601   2.1256   16.101   2.0991 0.5000076 2.987367 
1 1 1  -23    5   10 o   22.320   1.0536  486.762   45.543  453.106   64.805  519.606   64.017   21.551   1.5491   23.088   1.4284 -1.536148 2.107121 
1 1 1  -23    5   11 o   22.983   1.0460  514.823   46.647  529.298   67.126  501.304   64.870   23.295   1.4845   22.671   1.4740 0.6235924 2.091993 
1 1 1  -23    5   12 o   26.028   0.9199  659.725   46.449  692.670   66.675  628.661   64.744   26.660   1.2884   25.396   1.3133 1.263683 1.839729 
1 1 1  -23    5   13 o   6.9921   1.9850   12.410   43.501   54.665   62.517 -27.2514   60.568   8.2048   3.0045   5.7794   2.5949 2.425412 3.969980 
1 1 1  -23    5   14 f   19.537   1.1143  373.982   42.141  342.672   59.681  405.116   59.512   18.714   1.6429   20.361   1.5057 -1.646910 2.228543 
1 1 1  -23    5   15 o   60.233   0.9409  3541.53  110.010  3583.92  156.410  3500.03  154.758   60.590   1.3298   59.877   1.3315 0.7136955 1.881821 
1 1 1  -23    5   16 o   19.560   1.5928  381.256   59.985  339.389   86.969  419.246   82.845   18.500   2.4218   20.620   2.0697 -2.120800 3.185684 
1 1 1  -23    5   17 o   28.052   1.1592  770.431   62.898  802.226   93.680  744.332   84.874   28.567   1.6893   27.538   1.5878 1.029812 2.318356 
1 1 1  -23    5   18 o   16.827   1.9784  289.369   60.194  450.204   90.716  162.850   80.458   21.270   2.1971   12.385   3.2907 8.884910 3.956763 
1 1 1  -23    5   19 o   25.281   1.3544  629.377   66.083  732.865   97.896  542.744   89.569   27.193   1.8545   23.370   1.9744 3.823782 2.708823 
1 1 1  -23    5   20 o   25.289   1.2990  631.162   63.530  666.930   94.909  602.126   85.513   25.921   1.8862   24.657   1.7866 1.263311 2.598027 
1 1 1  -23    5   21 f   14.803   2.2223  233.792   63.931  333.797   92.703  143.092   88.284   18.079   2.6415   11.527   3.5744 6.552513 4.444522 
1 1 1  -23    5   22 o   12.565   2.4865  174.951   63.356  153.716   89.641  196.145   89.556   11.819   3.5904   13.312   3.4407 -1.492539 4.972911 
1 1 1  -23    5   23 o   11.059   2.6416  130.124   67.626  159.784   99.844  104.984   91.921   11.942   3.8147   10.176   3.6551 1.765734 5.283198 
1 1 1  -23    5   24 o   8.7857   2.5344   40.705   71.225  101.414  102.107 -16.8301   99.403   10.110   3.8135   7.4614   3.3390 2.648523 5.068720 
1 1 1  -23    6    1 o   22.248   1.1344  480.340   48.771  549.056   71.517  420.602   66.682   23.731   1.5525   20.764   1.6543 2.966961 2.268713 
1 1 1  -23    6    2 o   28.943   0.9376  815.719   52.671  831.489   74.479  799.941   74.498   29.224   1.3129   28.663   1.3389 0.5615330 1.875213 
1 1 1  -23    6    3 o   39.305   0.7376  1502.15   56.275  1515.00   80.028  1489.58   79.149   39.471   1.0445   39.138   1.0418 0.3324242 1.475215 
1 1 1  -23    6    4 o   64.232   0.7164  4007.42   89.284  3877.58  123.876  4147.79  128.800   63.151   1.0105   65.314   1.0159 -2.162685 1.432887 
1 1 1  -23    6    5 o   44.013   0.7072  1883.43   60.418  1873.72   85.326  1893.18   85.564   43.899   1.0013   44.127   0.9989 -0.2275810 1.414348 
1 1 1  -23    6    6 o   26.898   0.9719  703.513   50.441  814.412   73.089  602.658   69.700   28.923   1.3018   24.872   1.4436 4.051283 1.943885 
1 1 1  -23    6    7 o   18.797   1.3092  345.205   47.747  358.747   67.655  331.768   67.394   19.167   1.8184   18.428   1.8840 0.7389126 2.618397 
1 1 1  -23    6    8 o   28.547   0.9078  793.462   50.284  794.926   72.149  792.080   70.120   28.571   1.3009   28.523   1.2664 0.4875374E-01 1.815539 
1 1 1  -23    6    9 o   56.729   0.6849  3127.45   75.379  3184.94  108.925  3074.62  104.421   57.227   0.9805   56.230   0.9566 0.9971237 1.369893 
1 1 1  -23    6   10 o   56.530   0.6753  3108.39   74.086  3079.24  105.780  3136.46  103.794   56.269   0.9684   56.792   0.9415 -0.5235023 1.350662 
1 1 1  -23    6   11 o   38.879   0.7241  1471.60   54.574  1451.28   78.990  1490.16   75.487   38.619   1.0537   39.139   0.9936 -0.5193787 1.448234 
1 1 1  -23    6   12 o   18.425   1.2175  331.923   42.977  406.767   62.459  264.626   59.227   20.409   1.5766   16.441   1.8557 3.967083 2.435032 
1 1 1  -23    6   13 o   16.662   1.3458  273.667   43.251  242.258   61.836  303.751   60.518   15.709   2.0278   17.614   1.7699 -1.904785 2.691550 
1 1 1  -23    6   14 o   23.108   0.9740  521.131   43.493  457.433   60.506  589.230   62.561   21.641   1.4403   24.575   1.3115 -2.933784 1.947935 
1 1 1  -23    6   15 o   20.447   1.5199  419.980   59.110  344.011   86.742  485.842   80.767   18.649   2.3961   22.244   1.8705 -3.594980 3.039716 
1 1 1  -23    6   16 o   6.5937   2.1021 -40.2669   56.743 -16.7861   84.907 -59.2169   76.277   7.1861   3.1572   6.0013   2.7761 1.184853 4.204135 
1 1 1  -23    6   17 o   46.271   0.8954  2096.71   80.004  2057.75  118.784  2129.06  108.237   45.858   1.3344   46.683   1.1944 -0.8254395 1.790850 
1 1 1  -23    6   18 o   49.655   0.9212  2417.30   88.448  2383.97  130.457  2445.65  120.326   49.317   1.3627   49.993   1.2399 -0.6760406 1.842371 
1 1 1  -23    6   19 o   32.414   1.1231  1023.10   70.029  1127.80  108.156  947.524   91.892   33.805   1.6482   31.022   1.5259 2.782726 2.246106 
1 1 1  -23    6   20 o   14.261   2.2785  220.268   61.374  196.807   92.559  238.677   81.991   13.468   3.5062   15.054   2.9110 -1.586651 4.557098 
1 1 1  -23    6   21 o   5.6517   1.9347 -136.5049   64.232 -113.0747   96.862 -154.8952   85.814   6.1222   2.9217   5.1812   2.5370 0.9409952 3.869410 
1 1 1  -23    6   22 o   10.827   2.4540  122.170   64.225   40.887   96.407  187.028   86.117   8.6399   3.5597   13.015   3.3789 -4.374879 4.908032 
1 1 1  -23    6   23 o   25.106   1.4507  637.162   70.555  631.114  102.778  642.553   97.029   24.959   2.1214   25.253   1.9794 -0.2938404 2.901408 
1 1 1  -23    6   24 o   20.108   1.8655  422.631   72.152  431.769  109.983  415.726   95.598   20.202   2.8046   20.014   2.4606 0.1876316 3.731037 
1 1 1  -23    7    1 o   25.159   0.9991  614.751   48.707  584.238   66.506  650.051   71.533   24.489   1.3990   25.829   1.4267 -1.340576 1.998168 
1 1 1  -23    7    2 o   32.662   0.8390  1037.47   53.158  1054.17   76.866  1022.16   73.595   32.913   1.2031   32.411   1.1697 0.5011673 1.678019 
1 1 1  -23    7    3 o   47.353   0.7073  2179.93   65.006  2217.68   92.504  2143.09   91.373   47.758   0.9978   46.947   1.0026 0.8104591 1.414527 
1 1 1  -23    7    4 o   22.635   1.1051  501.128   48.387  538.753   67.599  461.597   69.290   23.514   1.4809   21.756   1.6407 1.758394 2.210226 
1 1 1  -23    7    5 o   11.176   1.9510  125.567   46.994  196.911   64.942   47.141   68.089   14.173   2.3605   8.1788   3.1071 5.994250 3.902032 
1 1 1  -23    7    6 o   80.505   0.7827  6304.00  122.300  6338.52  174.409  6270.62  171.544   80.721   1.1131   80.289   1.1007 0.4315033 1.565362 
1 1 1  -23    7    7 o   45.114   0.6933  1978.76   60.693  1987.80   87.130  1970.24   84.593   45.213   0.9928   45.015   0.9681 0.1980438 1.386628 
1 1 1  -23    7    8 o   77.503   0.7662  5843.84  115.275  5833.91  163.441  5853.66  162.609   77.437   1.0873   77.570   1.0799 -0.1322098 1.532452 
1 1 1  -23    7    9 o   47.035   0.6810  2151.47   62.169  2137.09   88.191  2165.67   87.653   46.878   0.9692   47.192   0.9568 -0.3135643 1.361905 
1 1 1  -23    7   10 o   45.169   0.6878  1984.02   60.277  2069.15   85.837  1901.19   84.665   46.126   0.9587   44.211   0.9865 1.914322 1.375595 
1 1 1  -23    7   11 o   26.838   0.9138  697.669   47.435  749.957   70.886  655.268   63.832   27.741   1.3163   25.934   1.2679 1.806580 1.827685 
1 1 1  -23    7   12 o   40.826   0.6998  1620.99   55.431  1645.14   79.865  1598.54   76.997   41.118   1.0006   40.534   0.9786 0.5843468 1.399579 
1 1 1  -23    7   13 o   11.536   1.9582  137.293   43.305  131.173   62.330  143.003   60.209   11.281   2.8464   11.791   2.6900 -0.5097713 3.916356 
1 1 1  -23    7   14 f   22.539   0.9969  503.578   42.906  441.324   64.126  554.038   57.733   21.244   1.5550   23.834   1.2478 -2.590387 1.993764 
1 1 1  -23    7   15 o   14.485   2.0230  229.785   56.102   94.883   81.308  352.379   77.510   10.057   3.4514   18.912   2.1113 -8.855206 4.045923 
1 1 1  -23    7   16 o   11.948   2.3700  146.136   57.401  179.639   85.852  119.051   77.192   13.077   3.3630   10.820   3.3402 2.257708 4.739925 
1 1 1  -23    7   17 o   15.628   2.0034  271.584   55.551  178.294   89.104  330.896   71.048   12.963   3.4715   18.293   2.0008 -5.329816 4.006815 
1 1 1  -23    7   18 o   8.7031   2.2808   53.140   56.461 -21.2844   86.791  107.747   74.343   7.1207   3.1573   10.285   3.2924 -3.164753 4.561612 
1 1 1  -23    7   19 o   15.208   2.0556  241.907   57.982  231.506   91.904  248.784   74.732   14.695   3.3022   15.720   2.4491 -1.024126 4.111238 
1 1 1  -23    7   20 o   30.011   1.1253  888.917   65.529  860.730   92.757  917.001   92.586   29.527   1.6183   30.494   1.5641 -0.9668293 2.250616 
1 1 1  -23    7   21 o   11.975   2.5183  148.692   63.199  207.572   98.718  107.799   82.268   13.691   3.6485   10.258   3.4721 3.432429 5.036571 
1 1 1  -23    7   22 o   29.495   1.2514  870.438   70.779  846.860  107.965  888.210   93.731   29.078   1.9128   29.913   1.6142 -0.8350201 2.502877 
1 1 1  -23    7   23 o   28.089   1.3547  791.727   73.680  817.646  108.788  769.761  100.146   28.486   1.9674   27.692   1.8630 0.7941055 2.709491 
1 1 1  -23    7   24 o   10.750   2.4531  103.309   71.616 -33.5182  102.555  233.539  100.052   7.2886   3.3142   14.211   3.6175 -6.922904 4.906110 
1 1 1  -23    8    1 o   39.695   0.7343  1533.17   56.519  1445.17   79.610  1622.58   80.252   38.544   1.0640   40.846   1.0121 -2.301716 1.468515 
1 1 1  -23    8    2 o   22.504   1.1373  497.952   48.683  378.576   67.871  624.461   69.869   19.691   1.7756   25.317   1.4217 -5.625652 2.274669 
1 1 1  -23    8    3 o   20.174   1.2634  400.478   49.085  359.748   71.485  436.813   67.518   19.187   1.9193   21.162   1.6436 -1.974541 2.526897 
1 1 1  -23    8    4 o   14.918   1.8005  233.690   48.282  110.182   67.134  366.013   69.489   10.477   3.0899   19.359   1.8491 -8.881569 3.600960 
1 1 1  -23    8    5 o   87.863   0.8253  7511.65  140.760  7517.01  200.006  7506.39  198.136   87.893   1.1723   87.833   1.1621 0.6017303E-01 1.650648 
1 1 1  -23    8    6 o   29.618   0.9071  854.452   52.114  843.126   74.818  865.125   72.631   29.426   1.3098   29.811   1.2551 -0.3853607 1.814101 
1 1 1  -23    8    7 o   55.720   0.6839  3019.23   73.955  3001.51  105.595  3036.30  103.609   55.558   0.9791   55.881   0.9551 -0.3235512 1.367826 
1 1 1  -23    8    8 o   28.844   0.9016  811.380   50.359  790.647   73.272  829.941   69.328   28.490   1.3249   29.197   1.2232 -0.7070694 1.803195 
1 1 1  -23    8    9 o   51.299   0.6791  2557.43   67.602  2633.84   97.126  2485.63   94.152   52.042   0.9614   50.556   0.9594 1.485306 1.358214 
1 1 1  -23    8   10 o   17.113   1.4228  285.483   47.155  308.440   69.572  265.974   64.135   17.746   2.0196   16.480   2.0048 1.265793 2.845665 
1 1 1  -23    8   11 o   51.897   0.6752  2619.29   67.894  2627.68   99.183  2611.89   93.134   51.972   0.9831   51.822   0.9258 0.1496544 1.350433 
1 1 1  -23    8   12 o   39.395   0.7004  1509.06   53.498  1532.02   77.879  1488.55   73.617   39.677   1.0112   39.114   0.9696 0.5628052 1.400898 
1 1 1  -23    8   13 o   45.802   0.6597  2040.94   58.615  2049.01   84.490  2033.44   81.386   45.887   0.9485   45.716   0.9171 0.1707611 1.319383 
1 1 1  -23    8   14 o   26.892   1.0961  708.578   50.988  704.094   97.283  710.276   59.870   26.787   1.8709   26.996   1.1425 -0.2096958 2.192146 
1 1 1  -23    8   15 o   31.364   1.0751  971.335   64.522  901.826   97.846  1024.82   85.826   30.338   1.6615   32.390   1.3650 -2.052256 2.150283 
1 1 1  -23    8   16 o   49.440   0.9084  2384.26   86.983  2441.50  128.059  2335.23  118.519   49.981   1.3199   48.899   1.2486 1.082191 1.816888 
1 1 1  -23    8   17 o   59.425   0.9298  3455.92  106.820  3456.78  158.334  3455.21  144.716   59.410   1.3729   59.441   1.2542 -0.3066635E-01 1.859554 
1 1 1  -23    8   18 o   13.995   2.1695  205.426   55.992  212.578   91.044  201.075   71.008   14.098   3.3721   13.891   2.7306 0.2069836 4.339067 
1 1 1  -23    8   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23    8   20 o   11.093   2.4467  126.563   57.579  151.874   91.137  109.749   74.281   11.894   3.6219   10.293   3.2906 1.600771 4.893495 
1 1 1  -23    8   21 o   21.821   1.4810  475.076   62.423  506.539   94.059  450.310   83.450   22.440   2.1593   21.202   2.0276 1.238073 2.962024 
1 1 1  -23    8   22 o   19.221   1.8128  379.324   67.600  382.072   97.369  376.767   93.924   19.272   2.6028   19.170   2.5240 0.1019535 3.625630 
1 1 1  -23    8   23 o   28.364   1.3443  802.331   73.617  874.148  111.385  746.629   98.096   29.457   1.9479   27.271   1.8530 2.185766 2.688530 
1 1 1  -23    8   24 o   12.481   2.5832  179.902   67.784  221.121   96.429  139.640   95.303   13.837   3.5673   11.125   3.7372 2.711676 5.166448 
1 1 1  -23    9    1 o   52.915   0.6756  2722.37   69.366  2712.31   96.676  2733.04   99.585   52.816   0.9430   53.015   0.9677 -0.1988640 1.351139 
1 1 1  -23    9    2 o   36.521   0.7432  1296.80   52.675  1262.83   73.634  1332.40   75.384   36.032   1.0528   37.011   1.0493 -0.9794235 1.486344 
1 1 1  -23    9    3 o   28.327   0.8955  779.577   49.177  727.364   67.966  836.950   71.245   27.332   1.2810   29.321   1.2517 -1.988850 1.791012 
1 1 1  -23    9    4 o   77.456   0.7637  5835.95  114.817  5826.88  163.054  5844.87  161.705   77.396   1.0853   77.517   1.0746 -0.1211014 1.527331 
1 1 1  -23    9    5 o   79.174   0.7805  6098.20  119.945  6104.42  170.781  6092.14  168.496   79.213   1.1107   79.135   1.0969 0.7741547E-01 1.560990 
1 1 1  -23    9    6 o   51.577   0.6832  2585.98   68.369  2606.14   98.424  2567.19   95.042   51.770   0.9794   51.384   0.9528 0.3857040 1.366437 
1 1 1  -23    9    7 o   57.426   0.6910  3206.98   77.027  3170.42  108.851  3243.65  109.015   57.098   0.9821   57.755   0.9724 -0.6566925 1.382028 
1 1 1  -23    9    8 o   41.725   0.7168  1693.20   58.053  1661.25   81.694  1725.79   82.512   41.327   1.0183   42.123   1.0091 -0.7959480 1.433633 
1 1 1  -23    9    9 o   22.855   1.0512  510.649   46.428  453.257   65.439  568.820   65.881   21.553   1.5641   24.157   1.4049 -2.604019 2.102403 
1 1 1  -23    9   10 o   34.885   0.7608  1176.69   51.320  1271.37   76.818  1100.36   68.969   36.143   1.0949   33.628   1.0566 2.515335 1.521546 
1 1 1  -23    9   11 o   24.605   1.0051  596.949   47.465  510.746   68.624  676.016   65.722   22.873   1.5456   26.338   1.2855 -3.465311 2.010280 
1 1 1  -23    9   12 o   35.486   0.7419  1225.34   51.024  1234.25   74.373  1217.41   70.131   35.605   1.0761   35.367   1.0215 0.2383919 1.483719 
1 1 1  -23    9   13 o   13.332   1.7852  193.397   43.767  105.605   65.287  265.055   58.984   10.221   3.0550   16.443   1.8480 -6.221477 3.570464 
1 1 1  -23    9   14 o   28.156   0.9896  767.839   51.069  793.760   88.851  755.052   62.407   28.480   1.6071   27.832   1.1551 0.6479511 1.979192 
1 1 1  -23    9   15 o   21.567   1.4708  473.413   59.500  366.102   88.933  560.368   80.055   19.230   2.3824   23.903   1.7253 -4.672895 2.941541 
1 1 1  -23    9   16 o   16.192   1.9349  276.470   57.199  210.437   86.212  328.392   76.448   14.164   3.2098   18.219   2.1616 -4.055032 3.869756 
1 1 1  -23    9   17 o   26.387   1.1723  686.490   59.876  658.169   86.839  712.155   82.669   25.851   1.7305   26.922   1.5818 -1.071480 2.344556 
1 1 1  -23    9   18 o   11.488   2.0273  137.003   53.891   20.641   80.112  233.184   72.834   7.7379   3.2214   15.239   2.4621 -7.501157 4.054555 
1 1 1  -23    9   19 o   18.811   1.5809  338.443   56.076  479.094   89.540  247.676   71.929   21.917   2.1046   15.704   2.3595 6.212643 3.161749 
1 1 1  -23    9   20 o   17.254   1.7628  290.138   57.837  360.673   94.070  247.271   73.335   18.856   2.5700   15.653   2.4136 3.203274 3.525658 
1 1 1  -23    9   21 o   27.177   1.2155  722.592   62.798  787.773  101.163  681.728   80.100   28.108   1.8541   26.246   1.5722 1.861950 2.430923 
1 1 1  -23    9   22 f   9.8338   2.3168   86.262   57.679  165.947   83.295   12.852   79.948   12.249   3.3888   7.4190   3.1601 4.829573 4.633584 
1 1 1  -23    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23    9   24 o   13.332   2.6416  209.122   70.966  199.329  107.516  216.682   94.466   12.962   3.9310   13.703   3.5297 -0.7415905 5.283131 
1 1 1  -23   10    1 o   48.084   0.7038  2248.67   65.693  2260.28   92.990  2237.09   92.816   48.208   0.9937   47.960   0.9970 0.2482224 1.407609 
1 1 1  -23   10    2 o   49.223   0.6971  2356.21   66.604  2364.43   94.368  2348.04   94.018   49.308   0.9859   49.137   0.9857 0.1711769 1.394124 
1 1 1  -23   10    3 o   20.081   1.2121  393.060   47.199  406.166   68.718  381.356   64.940   20.396   1.7356   19.766   1.6925 0.6298618 2.424247 
1 1 1  -23   10    4 o   60.055   0.6862  3506.95   79.997  3527.55  113.350  3486.51  112.916   60.231   0.9695   59.879   0.9714 0.3515739 1.372434 
1 1 1  -23   10    5 o   47.285   0.6821  2174.01   62.609  2159.21   88.190  2189.04   88.899   47.123   0.9641   47.447   0.9652 -0.3243332 1.364232 
1 1 1  -23   10    6 o   49.795   0.6985  2411.29   67.516  2438.85   95.724  2384.01   95.243   50.079   0.9847   49.512   0.9910 0.5669212 1.397014 
1 1 1  -23   10    7 o   51.464   0.6815  2574.47   68.035  2604.68   98.315  2546.71   94.246   51.752   0.9786   51.176   0.9487 0.5760994 1.362999 
1 1 1  -23   10    8 o   35.340   1.0255  1258.17   63.194  1315.50   75.442  1123.33  115.698   36.772   1.0569   33.909   1.7577 2.862621 2.050988 
1 1 1  -23   10    9 o   34.611   0.7587  1168.95   50.788  1119.67   74.128  1212.55   69.724   33.917   1.1259   35.305   1.0174 -1.387749 1.517457 
1 1 1  -23   10   10 o   35.941   0.7481  1259.16   52.056  1224.69   75.833  1289.88   71.587   35.472   1.1013   36.411   1.0128 -0.9398041 1.496234 
1 1 1  -23   10   11 o   43.967   0.6802  1875.86   57.951  1959.63   85.025  1803.18   79.195   44.880   0.9760   43.054   0.9476 1.825897 1.360306 
1 1 1  -23   10   12 o   39.754   0.7041  1535.73   54.171  1567.71   80.120  1508.80   73.524   40.131   1.0285   39.377   0.9619 0.7541046 1.408180 
1 1 1  -23   10   13 o   77.855   0.7619  5901.87  115.093  5960.34  165.777  5847.45  159.913   78.223   1.0917   77.486   1.0632 0.7371292 1.523878 
1 1 1  -23   10   14 o   50.872   0.8369  2524.20   75.135  2521.21  138.967  2525.44   89.315   50.802   1.4092   50.942   0.9032 -0.1393738 1.673781 
1 1 1  -23   10   15 o   44.911   0.9432  1979.91   81.555  1885.22  121.707  2057.08  109.873   43.910   1.4279   45.911   1.2328 -2.000652 1.886440 
1 1 1  -23   10   16 o   21.156   1.4603  443.815   58.683  435.047   92.535  449.713   75.898   20.940   2.2765   21.372   1.8294 -0.4326210 2.920508 
1 1 1  -23   10   17 o   12.812   2.1962  157.407   54.092  255.736   89.999  101.801   67.680   15.623   3.0771  10.0000   3.1343 5.622512 4.392331 
1 1 1  -23   10   18 o   32.726   1.0283  1049.71   64.374  1068.27  100.293  1036.70   83.948   32.939   1.5685   32.514   1.3301 0.4251938 2.056564 
1 1 1  -23   10   19 o   16.518   1.9216  288.278   58.244  238.773   88.639  325.895   77.267   14.983   3.1477   18.052   2.2049 -3.069269 3.843141 
1 1 1  -23   10   20 o   14.592   2.1851  225.067   58.288  236.534   96.157  218.406   73.289   14.755   3.4233   14.428   2.7164 0.3272352 4.370140 
1 1 1  -23   10   21 o   25.145   1.4132  667.841   64.958  489.489  100.956  793.844   84.856   21.964   2.3679   28.327   1.5432 -6.363304 2.826369 
1 1 1  -23   10   22 o   35.321   1.0438  1221.92   70.549  1310.28  110.935  1161.92   91.416   36.336   1.5728   34.307   1.3727 2.028938 2.087570 
1 1 1  -23   10   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   10   24 o   9.9025   2.6056   81.921   71.549  167.335  106.086   10.649   96.906   11.966   3.9407   7.8393   3.4101 4.126328 5.211298 
1 1 1  -23   11    1 o   50.759   0.6944  2505.80   68.421  2503.75   96.338  2507.89   97.191   50.739   0.9781   50.780   0.9860 -0.4111862E-01 1.388848 
1 1 1  -23   11    2 o   9.6836   2.1859   91.109   46.369   92.004   65.816   90.226   65.338   9.7228   3.0963   9.6443   3.0865 0.7847595E-01 4.371877 
1 1 1  -23   11    3 o   14.475   1.6831  205.697   47.290  205.294   66.567  206.108   67.193   14.461   2.3714   14.488   2.3892 -0.2739811E-01 3.366230 
1 1 1  -23   11    4 o   28.933   0.9004  815.254   50.567  823.259   71.253  807.130   71.776   29.077   1.2624   28.789   1.2844 0.2878742 1.800878 
1 1 1  -23   11    5 o   28.526   0.9034  791.306   49.919  809.060   73.362  775.998   68.122   28.821   1.3113   28.231   1.2431 0.5900211 1.806824 
1 1 1  -23   11    6 o   42.184   0.7213  1730.16   59.007  1838.11   84.365  1626.78   82.561   43.473   0.9997   40.894   1.0400 2.578896 1.442604 
1 1 1  -23   11    7 o   24.418   1.0095  581.114   47.810  579.378   66.251  583.001   69.063   24.382   1.3998   24.454   1.4549 -0.7208061E-01 2.018945 
1 1 1  -23   11    8 o   13.260   1.7809  177.741   43.912  185.631   66.339  171.588   58.584   13.507   2.6248   13.014   2.4076 0.4920559 3.561747 
1 1 1  -23   11    9 o   30.366   0.8476  896.906   49.932  931.074   72.060  865.347   69.253   30.922   1.2005   29.811   1.1968 1.111103 1.695115 
1 1 1  -23   11   10 o   12.032   1.8698  141.177   44.316  218.482   67.108   81.397   59.013   14.907   2.3191   9.1573   2.9336 5.749906 3.739514 
1 1 1  -23   11   11 o   30.164   0.8351  902.982   47.724  796.297   73.413  981.068   62.807   28.578   1.3233   31.750   1.0190 -3.172117 1.670244 
1 1 1  -23   11   12 o   46.018   0.6761  2063.25   60.269  2017.24   87.558  2104.68   83.085   45.526   0.9908   46.511   0.9202 -0.9850273 1.352217 
1 1 1  -23   11   13 o   26.332   0.8910  677.629   45.443  630.791   64.649  723.373   63.890   25.426   1.3099   27.239   1.2083 -1.812756 1.782067 
1 1 1  -23   11   14 o   12.843   2.3385  167.813   56.150   0.0000   0.0000  167.813   56.150  ?   ?    12.843   2.3385      ?      ? 
1 1 1  -23   11   15 o   61.132   0.9444  3655.35  111.785  3593.15  163.257  3710.26  153.382   60.626   1.3872   61.638   1.2819 -1.012268 1.888829 
1 1 1  -23   11   16 o   26.955   1.1838  724.973   60.482  656.113   93.683  774.187   79.199   25.799   1.8707   28.110   1.4514 -2.311790 2.367698 
1 1 1  -23   11   17 o   33.818   1.0403  1140.72   66.681  1024.99  103.037  1224.11   87.467   32.272   1.6448   35.365   1.2741 -3.093464 2.080535 
1 1 1  -23   11   18 o   14.609   2.1443  220.960   57.909  252.542   92.160  200.356   74.440   15.419   3.1845   13.799   2.8725 1.620468 4.288620 
1 1 1  -23   11   19 o   18.762   1.6647  335.783   59.055  460.412   96.314  260.699   74.757   21.422   2.3161   16.102   2.3917 5.319717 3.329352 
1 1 1  -23   11   20 o   17.373   1.9144  325.878   59.810  246.704   91.701  384.493   78.902   15.144   3.2186   19.602   2.0735 -4.458640 3.828710 
1 1 1  -23   11   21 f   23.271   1.4218  527.521   63.213  676.518   98.821  424.328   82.240   25.992   1.9586   20.551   2.0615 5.441048 2.843580 
1 1 1  -23   11   22 o   34.936   1.1032  1238.45   71.811  1103.17  115.506  1323.68   91.683   33.224   1.7910   36.649   1.2887 -3.424973 2.206446 
1 1 1  -23   11   23 o   13.777   2.3636  216.561   62.269  189.742   97.290  235.170   81.044   12.857   3.6993   14.698   2.9431 -1.841811 4.727218 
1 1 1  -23   11   24 o   8.5507   2.4310   50.881   64.985 -24.8813  109.582   91.978   80.709   7.6379   3.4542   9.4635   3.4216 -1.825521 4.862010 
1 1 1  -23   12    1 o   38.678   0.7539  1455.34   56.571  1448.71   78.544  1462.49   81.547   38.588   1.0486   38.768   1.0836 -0.1799736 1.507860 
1 1 1  -23   12    2 o   10.666   2.0955  111.817   46.292   72.310   62.772  158.917   68.540   8.8885   3.0328   12.443   2.8925 -3.554620 4.190994 
1 1 1  -23   12    3 o   49.660   0.6689  2397.65   64.475  2360.81   90.451  2435.70   91.929   49.273   0.9457   50.048   0.9462 -0.7754097 1.337783 
1 1 1  -23   12    4 o   23.290   1.0346  528.862   46.768  527.044   66.631  530.628   65.660   23.250   1.4763   23.331   1.4498 -0.8079147E-01 2.069176 
1 1 1  -23   12    5 o   56.358   0.6867  3088.96   75.121  3083.49  106.523  3094.36  105.953   56.308   0.9746   56.408   0.9676 -0.9999084E-01 1.373336 
1 1 1  -23   12    6 o   58.494   0.8099  3328.49   87.326  3335.59  149.105  3324.78  107.736   58.516   1.3126   58.472   0.9492 0.4414368E-01 1.619872 
1 1 1  -23   12    7 o   44.804   0.6907  1951.00   60.026  1985.25   86.878  1919.72   83.032   45.178   0.9906   44.429   0.9627 0.7491913 1.381395 
1 1 1  -23   12    8 o   68.382   0.7175  4547.37   95.221  4617.92  136.534  4480.56  132.867   68.897   1.0209   67.867   1.0085 1.030518 1.435047 
1 1 1  -23   12    9 o   48.315   0.6720  2272.37   62.969  2178.81   89.493  2364.10   88.616   47.327   0.9741   49.304   0.9259 -1.976688 1.343961 
1 1 1  -23   12   10 o   71.029   0.7316  4910.21  100.854  4877.66  143.568  4941.93  141.707   70.794   1.0447   71.263   1.0244 -0.4685745 1.463140 
1 1 1  -23   12   11 o   25.021   0.9503  608.089   46.049  648.050   68.027  574.289   62.563   25.775   1.3596   24.267   1.3281 1.508434 1.900633 
1 1 1  -23   12   12 o   8.8075   1.9801   70.550   41.325   23.224   59.196  115.542   57.718   7.0166   2.8268   10.598   2.7734 -3.581672 3.960139 
1 1 1  -23   12   13 o   65.120   0.6971  4123.03   88.035  4247.37  128.020  4011.49  121.257   66.048   0.9985   64.193   0.9731 1.855156 1.394255 
1 1 1  -23   12   14 o   55.784   0.8280  2995.82   82.106  3131.14  151.637  2939.69   97.661   56.613   1.3798   54.955   0.9155 1.657928 1.655903 
1 1 1  -23   12   15 o   16.007   1.9222  256.163   56.859  275.267   92.414  244.526   72.127   16.314   3.0298   15.701   2.3665 0.6123676 3.844467 
1 1 1  -23   12   16 o   29.676   1.0914  864.170   61.832  864.941   96.595  863.635   80.482   29.658   1.6778   29.695   1.3962 -0.3693962E-01 2.182795 
1 1 1  -23   12   17 f   24.047   1.2642  582.541   57.659  497.839   87.150  648.482   76.895   22.408   2.0035   25.685   1.5422 -3.276886 2.528329 
1 1 1  -23   12   18 o   9.9803   2.3342   81.583   56.008  167.110   88.194   23.776   72.506   12.462   3.5010   7.4989   3.0881 4.962707 4.668344 
1 1 1  -23   12   19 o   35.613   1.0268  1260.91   68.618  1192.21  110.656  1303.84   87.465   34.751   1.6404   36.475   1.2353 -1.723904 2.053504 
1 1 1  -23   12   20 o   36.781   1.0255  1345.10   71.390  1277.67  112.734  1390.25   92.241   35.937   1.6160   37.625   1.2629 -1.688793 2.050992 
1 1 1  -23   12   21 o   6.4491   2.0600 -36.4726   56.203 -78.1681   83.274  -1.5891   76.168   5.9383   2.7968   6.9598   3.0254 -1.021523 4.120039 
1 1 1  -23   12   22 o   17.248   2.0401  325.595   60.401  287.660  107.045  343.315   73.159   16.049   3.5319   18.448   2.0429 -2.399319 4.080139 
1 1 1  -23   12   23 o   6.3009   2.0792 -76.1129   60.055 -13.3378   98.798 -112.9004   75.632   7.5175   3.3490   5.0842   2.4652 2.433330 4.158451 
1 1 1  -23   12   24 o   9.4782   2.5640   81.955   61.855  102.343  112.029   73.014   74.189   10.211   3.9582   8.7454   3.2602 1.465717 5.127946 
1 1 1  -23   13    1 o   47.957   0.7147  2237.80   66.509  2254.50   92.963  2220.29   95.192   48.142   0.9948   47.772   1.0265 0.3700333 1.429418 
1 1 1  -23   13    2 o   66.794   0.7228  4338.65   93.699  4399.92  134.419  4280.73  130.680   67.252   1.0297   66.337   1.0148 0.9149551 1.445698 
1 1 1  -23   13    3 o   43.356   0.7158  1827.75   60.204  1917.81   86.030  1741.32   84.281   44.404   0.9981   42.309   1.0262 2.095146 1.431518 
1 1 1  -23   13    4 o   22.229   1.1339  482.296   48.922  472.913   69.241  491.650   69.131   22.012   1.6205   22.446   1.5866 -0.4344158 2.267852 
1 1 1  -23   13    5 o   48.040   0.6806  2243.45   63.451  2299.29   90.837  2190.25   88.667   48.624   0.9624   47.457   0.9625 1.166943 1.361103 
1 1 1  -23   13    6 o   44.127   0.6998  1894.86   59.912  1827.19   84.916  1961.93   84.543   43.341   1.0093   44.914   0.9697 -1.573387 1.399650 
1 1 1  -23   13    7 o   24.464   1.0093  583.260   47.917  601.211   68.495  566.055   67.058   24.833   1.4209   24.095   1.4337 0.7379570 2.018567 
1 1 1  -23   13    8 o   35.674   0.7440  1231.22   51.370  1343.68   76.154  1137.32   69.586   37.160   1.0557   34.188   1.0485 2.971710 1.487954 
1 1 1  -23   13    9 o   65.139   0.7025  4130.16   88.763  4066.35  127.328  4190.49  123.806   64.646   1.0147   65.632   0.9718 -0.9861374 1.404937 
1 1 1  -23   13   10 o   25.064   0.9624  605.139   46.523  684.803   70.791  544.578   61.723   26.497   1.3763   23.632   1.3455 2.865561 1.924729 
1 1 1  -23   13   11 f   42.067   0.6860  1720.27   55.841  1745.15   82.605  1699.33   75.777   42.343   1.0050   41.792   0.9341 0.5515633 1.372039 
1 1 1  -23   13   12 o   47.039   0.6609  2154.04   60.214  2141.24   88.003  2165.31   82.569   46.903   0.9666   47.174   0.9017 -0.2716293 1.321836 
1 1 1  -23   13   13 o   43.934   0.6876  1885.45   58.438  1768.40   84.384  1993.31   81.007   42.613   1.0201   45.255   0.9221 -2.642624 1.375122 
1 1 1  -23   13   14 o   23.505   1.3218  538.504   52.981  552.252  104.116  533.700   61.546   23.638   2.2690   23.373   1.3565 0.2649097 2.643600 
1 1 1  -23   13   15 o   43.443   0.9603  1865.09   78.920  1753.70  124.522  1939.86  102.027   42.307   1.5162   44.579   1.1790 -2.271580 1.920691 
1 1 1  -23   13   16 o   33.213   1.0562  1075.98   66.145  1108.46  107.830  1056.39   83.753   33.572   1.6546   32.853   1.3133 0.7180862 2.112463 
1 1 1  -23   13   17 o   44.917   0.9167  1993.23   78.730  1868.85  120.078  2087.02  104.271   43.637   1.4176   46.198   1.1627 -2.560356 1.833417 
1 1 1  -23   13   18 o   7.2958   2.1440   12.327   52.553 -47.4942   84.648   49.845   67.037   6.5307   2.9855   8.0609   3.0780 -1.530173 4.288081 
1 1 1  -23   13   19 o   12.887   2.2059  161.564   54.315  258.923   91.018  107.716   67.689   15.610   3.1128   10.163   3.1262 5.446907 4.411701 
1 1 1  -23   13   20 o   7.9092   2.3170   24.912   53.681   49.185   99.037   14.814   63.879   8.9682   3.6411   6.8503   2.8663 2.117818 4.633951 
1 1 1  -23   13   21 o   16.183   1.9700  252.817   58.133  408.147   97.369  166.783   72.465   19.971   2.5117   12.396   3.0357 7.574453 3.940027 
1 1 1  -23   13   22 o   19.814   1.6434  376.099   60.582  492.579  105.770  319.227   73.906   21.883   2.4900   17.746   2.1455 4.137060 3.286770 
1 1 1  -23   13   23 o   14.741   2.2206  251.405   60.018  193.727  101.142  282.753   74.564   12.906   3.7888   16.577   2.3172 -3.670643 4.441209 
1 1 1  -23   14    1 o   17.197   1.4814  294.153   48.673  341.830   67.423  242.266   70.337   18.692   1.8582   15.702   2.3076 2.989672 2.962706 
1 1 1  -23   14    2 o   32.493   0.8343  1028.47   52.600  1056.44   73.984  999.887   74.797   32.942   1.1570   32.044   1.2024 0.8976898 1.668674 
1 1 1  -23   14    3 o   65.191   0.7121  4134.18   90.115  4128.10  127.294  4140.30  127.591   65.143   1.0066   65.239   1.0075 -0.9608459E-01 1.424211 
1 1 1  -23   14    4 o   12.945   1.8043  174.077   43.925  117.112   63.754  225.552   60.604   10.717   2.9646   15.174   2.0575 -4.456075 3.608608 
1 1 1  -23   14    5 o   39.651   0.7377  1531.18   56.687  1499.91   82.059  1559.71   78.401   39.261   1.0767   40.042   1.0087 -0.7813644 1.475370 
1 1 1  -23   14    6 o   40.329   0.7156  1578.37   55.952  1674.26   81.490  1492.86   76.960   41.485   1.0119   39.173   1.0121 2.311813 1.431172 
1 1 1  -23   14    7 o   58.719   0.6843  3354.91   77.965  3275.88  110.785  3432.44  109.741   58.031   0.9835   59.406   0.9516 -1.374752 1.368510 
1 1 1  -23   14    8 o   38.605   0.7199  1450.26   53.884  1446.88   78.070  1453.34   74.465   38.560   1.0430   38.650   0.9925 -0.9086227E-01 1.439774 
1 1 1  -23   14    9 o   37.578   0.7216  1370.33   52.543  1438.88   77.155  1311.04   71.752   38.451   1.0337   36.706   1.0070 1.745201 1.443123 
1 1 1  -23   14   10 o   7.9343   1.9927   34.108   43.490  102.350   64.367 -23.2149   58.993   10.089   3.0375   5.7794   2.5803 4.309731 3.985477 
1 1 1  -23   14   11 o   41.029   0.6781  1637.57   53.960  1544.95   75.485  1734.37   77.166   39.842   0.9760   42.217   0.9416 -2.375790 1.356181 
1 1 1  -23   14   12 o   33.538   0.9166  1136.78   54.957  991.971   95.720  1207.99   67.122   31.850   1.5482   35.226   0.9816 -3.375710 1.833164 
1 1 1  -23   14   13 o   33.933   0.7336  1121.08   48.309  1147.16   69.272  1096.38   67.405   34.317   1.0399   33.549   1.0350 0.7675743 1.467172 
1 1 1  -23   14   14 o   42.267   0.8088  1730.44   61.547  1774.27  110.606  1710.78   74.075   42.614   1.3371   41.919   0.9103 0.6953011 1.617548 
1 1 1  -23   14   15 o   11.933   2.3768  143.853   56.569  180.452   90.582  120.454   72.429   13.061   3.5013   10.804   3.2152 2.256686 4.753557 
1 1 1  -23   14   16 f   5.9936   1.9828 -68.9969   56.176 -100.6486   92.778 -50.6761   70.586   6.1647   2.9182   5.8225   2.6853 0.3422146 3.965684 
1 1 1  -23   14   17 o   43.057   0.9476  1830.66   77.772  1747.35  120.492  1890.16  101.822   42.166   1.4721   43.949   1.1935 -1.782650 1.895122 
1 1 1  -23   14   18 o   10.920   2.4208  121.698   55.943  141.262   90.281  109.504   71.277   11.561   3.6195   10.278   3.2157 1.282806 4.841633 
1 1 1  -23   14   19 o   27.078   1.0874  709.194   56.297  802.353   89.435  648.057   72.452   28.500   1.6166   25.656   1.4548 2.843884 2.174813 
1 1 1  -23   14   20 o   10.724   2.4472  120.082   55.913  122.212   97.217  119.029   68.348   10.893   3.7719   10.555   3.1191 0.3377676 4.894486 
1 1 1  -23   14   21 o   17.889   1.7887  320.829   59.375  353.510  101.728  303.943   73.123   18.439   2.8421   17.339   2.1725 1.100147 3.577337 
1 1 1  -23   14   22 o   30.632   1.1808  914.707   66.710  1004.07  115.924  870.462   81.569   31.610   1.8892   29.654   1.4170 1.956074 2.361585 
1 1 1  -23   14   23 o   11.711   2.5192  153.147   59.814  165.363  105.027  147.283   72.768   11.954   3.9202   11.469   3.1651 0.4848442 5.038455 
1 1 1  -23   15    1 o   70.426   0.7432  4827.37  101.589  4873.62  142.842  4780.04  144.510   70.769   1.0398   70.082   1.0622 0.6867294 1.486453 
1 1 1  -23   15    2 o   49.065   0.9078  2329.59   77.801  2309.11   91.633  2382.47  147.259   48.722   0.9689   49.408   1.5354 -0.6858368 1.815519 
1 1 1  -23   15    3 o   66.533   0.7160  4306.42   92.458  4294.16  129.351  4319.22  132.205   66.438   1.0030   66.629   1.0222 -0.1905899 1.432051 
1 1 1  -23   15    4 f   53.749   0.6914  2810.01   72.138  2826.68  102.446  2793.62  101.597   53.907   0.9790   53.591   0.9766 0.3158951 1.382837 
1 1 1  -23   15    5 o   28.017   0.8913  764.771   48.451  760.740   69.458  768.591   67.619   27.943   1.2805   28.091   1.2401 -0.1471291 1.782520 
1 1 1  -23   15    6 o   23.212   0.9966  525.341   44.884  503.998   63.100  547.201   63.859   22.733   1.4299   23.691   1.3886 -0.9575272 1.993196 
1 1 1  -23   15    7 f   22.681   1.5030  526.240   57.817  551.906   68.021  459.420  109.753   23.784   1.4733   21.579   2.6201 2.205122 3.005958 
1 1 1  -23   15    8 o   10.071   2.0026  102.440   41.949   70.031   59.557  134.348   59.095   8.7045   2.9542   11.437   2.7044 -2.732160 4.005116 
1 1 1  -23   15    9 o   44.953   0.6770  1965.68   59.039  1978.20   85.191  1954.10   81.893   45.089   0.9733   44.817   0.9413 0.2718506 1.354046 
1 1 1  -23   15   10 o   26.872   0.8604  691.553   44.395  787.796   69.289  624.524   57.824   28.426   1.2557   25.317   1.1766 3.109694 1.720802 
1 1 1  -23   15   11 o   22.052   1.0530  473.790   45.010  505.854   65.685  445.407   61.800   22.753   1.4872   21.350   1.4912 1.403063 2.105992 
1 1 1  -23   15   12 f   23.407   0.9923  540.037   44.535  497.988   66.866  573.563   59.706   22.567   1.5264   24.247   1.2685 -1.679821 1.984698 
1 1 1  -23   15   13 o   40.837   0.6883  1627.21   54.435  1563.84   78.750  1685.20   75.329   40.069   1.0125   41.606   0.9327 -1.536915 1.376596 
1 1 1  -23   15   14 o   20.806   1.4186  448.396   49.214  383.301   95.159  472.165   57.502   19.634   2.4967   21.978   1.3478 -2.343796 2.837286 
1 1 1  -23   15   15 o   21.115   1.4508  446.699   56.952  420.661   93.698  461.955   71.722   20.559   2.3478   21.672   1.7049 -1.112743 2.901529 
1 1 1  -23   15   16 o   29.376   1.0537  833.532   59.002  918.341   94.452  779.261   75.557   30.558   1.5923   28.195   1.3805 2.363035 2.107419 
1 1 1  -23   15   17 o   20.273   1.6154  446.879   57.036  315.336   96.106  518.401   70.865   17.610   2.8115   22.936   1.5916 -5.326483 3.230734 
1 1 1  -23   15   18 f   18.507   1.6096  323.012   55.532  418.802   96.385  275.414   67.943   20.397   2.4343   16.616   2.1065 3.781527 3.219119 
1 1 1  -23   15   19 o   19.033   1.5895  353.751   57.192  409.742   94.494  321.386   71.845   20.136   2.4175   17.930   2.0642 2.206352 3.178910 
1 1 1  -23   15   20 o   21.546   1.4897  454.824   60.081  511.820  101.431  424.018   74.570   22.478   2.3246   20.614   1.8635 1.863964 2.979347 
1 1 1  -23   15   21 o   19.828   1.6511  384.536   60.528  453.164  105.927  351.264   73.755   20.977   2.6013   18.679   2.0341 2.298687 3.302200 
1 1 1  -23   15   22 o   7.2426   2.1417   12.404   53.864 -64.5939   89.667   55.876   67.375   6.3676   2.9674   8.1176   3.0891 -1.750001 4.283487 
1 1 1  -23   15   23 o   7.1634   2.2424  -3.3315   59.184 -23.3043  103.117   6.4802   72.274   7.4575   3.3637   6.8694   2.9665 0.5881252 4.484898 
1 1 1  -23   16    1 o   33.157   0.8429  1070.97   54.169  1072.12   74.613  1069.69   78.768   33.179   1.1585   33.135   1.2246 0.4417801E-01 1.685735 
1 1 1  -23   16    2 o   12.684   1.8994  168.317   46.660  235.422   64.761   95.878   67.286   15.486   2.1543   9.8819   3.1289 5.604284 3.798863 
1 1 1  -23   16    3 o   48.656   0.6927  2301.67   65.409  2372.43   93.803  2234.71   91.253   49.383   0.9785   47.928   0.9808 1.455055 1.385479 
1 1 1  -23   16    4 o   34.621   0.8921  1178.59   57.556  1128.08   94.781  1208.10   72.443   34.008   1.4357   35.233   1.0592 -1.224884 1.784168 
1 1 1  -23   16    5 o   71.186   0.7358  4931.55  101.654  4909.79  144.951  4952.61  142.598   71.029   1.0513   71.342   1.0297 -0.3129120 1.471540 
1 1 1  -23   16    6 o   56.684   0.6892  3127.33   75.796  3066.82  108.323  3185.38  106.096   56.144   0.9939   57.224   0.9551 -1.080231 1.378458 
1 1 1  -23   16    7 o   9.6643   2.1604   90.905   45.471  104.704   66.352   78.686   62.438   10.216   3.0858   9.1127   3.0243 1.103106 4.320717 
1 1 1  -23   16    8 o   42.467   0.6895  1749.88   56.736  1834.11   83.354  1677.17   77.446   43.415   0.9891   41.519   0.9609 1.895962 1.378996 
1 1 1  -23   16    9 o   39.551   0.7010  1519.74   53.739  1568.69   78.676  1476.93   73.577   40.145   1.0096   38.957   0.9729 1.187927 1.402097 
1 1 1  -23   16   10 o   20.971   1.0943  429.152   44.408  438.810   65.762  421.056   60.210   21.183   1.5993   20.760   1.4941 0.4230042 2.188636 
1 1 1  -23   16   11 o   51.282   0.6592  2562.65   65.508  2494.27   94.706  2625.38   90.708   50.620   0.9638   51.943   0.8996 -1.323093 1.318408 
1 1 1  -23   16   12 o   20.831   1.1543  438.777   45.144  342.963   67.737  515.342   60.552   18.690   1.8671   22.972   1.3579 -4.282438 2.308619 
1 1 1  -23   16   13 o   27.658   0.8551  750.955   45.600  694.680   66.858  799.903   62.353   26.673   1.2913   28.643   1.1215 -1.970005 1.710285 
1 1 1  -23   16   14 o   20.804   1.4571  429.563   50.911  423.318  101.251  431.676   58.899   20.610   2.5308   20.998   1.4450 -0.3876266 2.914234 
1 1 1  -23   16   15 o   24.408   1.2946  541.341   58.207  743.190  104.538  450.645   70.074   27.416   1.9643   21.401   1.6868 6.015717 2.589144 
1 1 1  -23   16   16 o   12.884   2.1958  158.903   52.450  242.889   92.005  118.467   63.840   15.137   3.2295   10.631   2.9758 4.506187 4.391524 
1 1 1  -23   16   17 o   8.8852   2.2515   71.714   49.983   49.237   75.338   89.386   66.801   8.3140   3.2395   9.4564   3.1277 -1.142385 4.502952 
1 1 1  -23   16   18 o   24.936   1.2479  608.104   58.680  646.403   96.254  585.450   74.028   25.501   1.9444   24.370   1.5648 1.130817 2.495899 
1 1 1  -23   16   19 o   22.299   1.4557  498.207   60.634  495.130  100.075  499.992   76.216   22.151   2.3274   22.447   1.7492 -0.2955742 2.911385 
1 1 1  -23   16   20 o   11.912   2.3227  158.104   56.215  123.005   86.692  183.571   73.844   10.777   3.5630   13.048   2.9808 -2.270614 4.645419 
1 1 1  -23   16   21 o   10.182   2.4940   90.681   57.351  163.166  103.335   58.414   68.944   12.085   3.8830   8.2786   3.1310 3.806708 4.988052 
1 1 1  -23   16   22 o   25.306   1.3428  640.383   62.476  660.206  107.617  630.306   76.729   25.453   2.1781   25.159   1.5711 0.2945690 2.685570 
1 1 1  -23   16   23 o   12.089   2.3991  137.896   52.239  244.045  107.948  105.437   59.694   14.373   3.8081   9.8037   2.9192 4.569726 4.798238 
1 1 1  -23   17    1 o   35.070   0.7833  1207.74   52.725  1280.08   70.842  1117.91   78.944   36.267   1.0063   33.873   1.2006 2.394459 1.566531 
1 1 1  -23   17    2 o   9.4402   2.1049   78.921   44.946   39.495   59.466  131.458   68.645   7.5688   2.8969   11.312   3.0546 -3.742844 4.209808 
1 1 1  -23   17    3 o   31.257   0.8046  950.964   48.775  895.437   68.222  1009.02   69.759   30.322   1.1590   32.192   1.1163 -1.869707 1.609209 
1 1 1  -23   17    4 o   53.691   0.6772  2805.03   70.568  2765.45  100.437  2843.63   99.172   53.315   0.9705   54.067   0.9449 -0.7516747 1.354499 
1 1 1  -23   17    5 o   37.951   0.7263  1403.78   53.418  1354.05   76.915  1450.11   74.244   37.297   1.0623   38.605   0.9907 -1.307491 1.452622 
1 1 1  -23   17    6 o   64.965   0.7056  4106.54   88.962  4125.41  127.136  4088.44  124.527   65.110   1.0059   64.821   0.9897 0.2896423 1.411117 
1 1 1  -23   17    7 o   25.247   0.9527  624.035   46.455  691.975   65.456  555.083   65.942   26.644   1.2656   23.850   1.4243 2.794075 1.905326 
1 1 1  -23   17    8 o   19.557   1.1776  378.646   43.995  304.503   62.662  450.728   61.785   17.630   1.8309   21.484   1.4815 -3.853695 2.355246 
1 1 1  -23   17    9 o   15.740   1.3957  242.950   42.619  254.516   61.322  232.143   59.276   16.103   1.9617   15.377   1.9858 0.7261696 2.791409 
1 1 1  -23   17   10 o   44.814   0.6681  1953.31   58.092  2036.02   83.269  1874.88   81.085   45.739   0.9378   43.890   0.9517 1.849049 1.336163 
1 1 1  -23   17   11 o   17.447   1.2531  303.272   41.727  260.781   61.942  338.572   56.459   16.291   1.9588   18.604   1.5634 -2.312876 2.506179 
1 1 1  -23   17   12 f   32.583   0.8873  1021.33   53.063  1081.02   92.571  992.120   64.757   33.255   1.4340   31.911   1.0454 1.343861 1.774607 
1 1 1  -23   17   13 o   33.793   0.6977  1112.12   45.732  1122.69   66.172  1102.47   63.276   33.945   1.0042   33.642   0.9689 0.3026237 1.395459 
1 1 1  -23   17   14 o   16.102   1.8406  277.919   47.824  234.056   92.458  293.941   55.880   14.909   3.2835   17.296   1.6643 -2.387400 3.681248 
1 1 1  -23   17   15 o   22.017   1.3904  482.738   54.941  471.473   97.900  487.917   66.380   21.746   2.3192   22.289   1.5342 -0.5426483 2.780735 
1 1 1  -23   17   16 o   9.3473   2.3384   83.109   53.378   33.739   96.620  104.796   64.037   8.6409   3.5623   10.054   3.0303 -1.412710 4.676851 
1 1 1  -23   17   17 f   8.6244   2.3132   45.847   53.278  103.460   87.812   12.283   67.024   10.286   3.5835   6.9631   2.9260 3.322644 4.626361 
1 1 1  -23   17   18 o   11.749   2.2375  149.279   51.819  134.226   82.208  159.205   66.751   11.246   3.4429   12.253   2.8587 -1.006845 4.475036 
1 1 1  -23   17   19 o   25.590   1.2946  640.373   61.195  689.416  105.574  615.558   75.098   26.225   2.0738   24.956   1.5502 1.269115 2.589197 
1 1 1  -23   17   20 f   12.246   2.3735  164.417   56.185  161.876   97.144  165.694   68.873   12.095   3.7493   12.398   2.9115 -0.3027592 4.746956 
1 1 1  -23   17   21 o   21.691   1.4672  447.245   57.802  557.107  105.975  400.721   68.964   23.359   2.3371   20.022   1.7744 3.337759 2.934367 
1 1 1  -23   17   22 o   15.629   2.1348  319.974   57.786  138.566  102.508  404.476   69.962   11.194   3.8733   20.064   1.7963 -8.870317 4.269614 
1 1 1  -23   17   23 o   10.734   2.4725  103.360   52.102  199.175  109.249   75.153   59.277   12.917   3.9714   8.5518   2.9462 4.365128 4.944930 
1 1 1  -23   18    1 o   43.818   0.7338  1869.93   62.294  1881.42   85.585  1856.99   90.845   43.965   1.0028   43.670   1.0716 0.2950592 1.467674 
1 1 1  -23   18    2 o   26.474   1.0118  691.674   51.392  757.475   69.915  614.332   75.799   27.873   1.2922   25.075   1.5572 2.797153 2.023535 
1 1 1  -23   18    3 o   24.293   1.0197  573.176   47.958  521.951   65.421  632.685   70.512   23.124   1.4574   25.462   1.4266 -2.338036 2.039438 
1 1 1  -23   18    4 o   11.288   1.9829  131.025   44.118  169.548   62.807   93.503   61.985   12.879   2.6017   9.6971   2.9931 3.182255 3.965797 
1 1 1  -23   18    5 o   44.118   0.6761  1894.83   57.849  1867.23   83.307  1920.54   80.391   43.805   0.9797   44.431   0.9321 -0.6262665 1.352255 
1 1 1  -23   18    6 o   50.458   0.6763  2476.56   66.226  2414.94   92.808  2540.50   94.532   49.818   0.9597   51.098   0.9530 -1.279583 1.352505 
1 1 1  -23   18    7 o   47.359   0.6826  2182.51   62.702  2185.25   90.589  2179.99   86.877   47.385   0.9848   47.333   0.9455 0.5197525E-01 1.365261 
1 1 1  -23   18    8 o   11.407   1.9611  132.587   42.546  144.740   66.097  123.989   55.594   11.837   2.8995   10.976   2.6412 0.8607111 3.922104 
1 1 1  -23   18    9 o   35.650   0.7371  1238.81   50.957  1205.97   73.155  1269.76   71.021   35.188   1.0710   36.113   1.0131 -0.9252396 1.474251 
1 1 1  -23   18   10 o   13.160   1.7567  175.579   43.421  166.341   65.928  182.656   57.704   12.705   2.7527   13.615   2.1833 -0.9103155 3.513420 
1 1 1  -23   18   11 o   34.004   0.7242  1125.49   47.584  1134.12   70.883  1118.41   64.199   34.117   1.0703   33.891   0.9758 0.2261734 1.448373 
1 1 1  -23   18   12 o   60.612   0.6782  3576.09   79.764  3627.16  114.884  3528.57  110.832   61.027   0.9698   60.197   0.9485 0.8306656 1.356497 
1 1 1  -23   18   13 o   21.895   1.3023  433.437   47.837  550.447  100.980  399.579   54.319   23.579   2.2062   20.210   1.3846 3.368784 2.604661 
1 1 1  -23   18   14 o   17.385   1.4952  269.212   46.439  381.571   89.532  227.858   54.317   19.571   2.3567   15.200   1.8409 4.370897 2.990455 
1 1 1  -23   18   15 o   16.083   1.6747  255.467   50.132  269.451   84.658  247.916   62.214   16.356   2.6664   15.811   2.0271 0.5454216 3.349429 
1 1 1  -23   18   16 o   13.879   2.1160  179.580   52.907  292.833   95.723  129.764   63.486   16.677   3.0699   11.080   2.9130 5.596883 4.232059 
1 1 1  -23   18   17 o   6.2438   2.0170 -118.9498   51.294   41.874   95.986 -183.2340   60.686   8.7830   3.5775   3.7045   1.8641 5.078493 4.034002 
1 1 1  -23   18   18 o   30.230   1.0335  911.655   58.556  852.847   94.416  948.415   74.647   29.365   1.6564   31.095   1.2367 -1.730247 2.067088 
1 1 1  -23   18   19 f   10.639   2.4463  110.812   55.507  153.855   96.180   89.317   67.969   11.882   3.7385   9.3957   3.1561 2.486003 4.892531 
1 1 1  -23   18   20 o   18.872   1.7147  377.329   57.783  323.774   99.474  404.603   70.989   17.619   2.9085   20.126   1.8170 -2.507547 3.429426 
1 1 1  -23   18   21 o   12.070   2.3103  171.438   57.754   99.369   96.080  212.211   72.268   10.063   3.7182   14.077   2.7433 -4.014219 4.620685 
1 1 1  -23   18   22 o   31.738   1.1301  997.972   64.992  1028.82  115.253  983.587   78.699   31.936   1.8591   31.539   1.2855 0.3973560 2.260228 
1 1 1  -23   19    1 o   20.478   1.2207  413.857   48.067  441.259   65.109  381.032   71.260   21.244   1.5789   19.712   1.8623 1.531218 2.441497 
1 1 1  -23   19    2 o   50.725   0.8762  2537.01   82.090  2413.21  137.647  2605.34  102.267   49.717   1.4262   51.733   1.0184 -2.015343 1.752494 
1 1 1  -23   19    3 o   15.287   1.5698  233.411   44.097  166.413   60.228  310.831   64.743   12.766   2.5197   17.807   1.8730 -5.040559 3.139622 
1 1 1  -23   19    4 o   24.599   0.9758  595.320   46.206  653.588   63.666  530.469   67.166   25.891   1.2667   23.306   1.4846 2.585369 1.951606 
1 1 1  -23   19    5 f   27.840   0.8864  756.033   47.874  778.923   67.367  732.679   68.046   28.269   1.2277   27.412   1.2788 0.8569584 1.772719 
1 1 1  -23   19    6 o   18.982   1.4357  359.170   50.475  335.271   83.596  372.882   63.320   18.441   2.3352   19.522   1.6709 -1.080845 2.871447 
1 1 1  -23   19    7 f   27.996   0.8543  760.581   46.262  803.373   69.024  725.680   62.335   28.705   1.2387   27.288   1.1768 1.417265 1.708596 
1 1 1  -23   19    8 o   17.669   1.2514  303.643   42.607  360.359   63.023  255.902   57.822   19.185   1.6923   16.154   1.8440 3.031025 2.502830 
1 1 1  -23   19    9 o   17.000   1.2862  285.111   42.186  258.596   61.035  309.363   58.375   16.227   1.9377   17.773   1.6920 -1.546278 2.572464 
1 1 1  -23   19   10 o   19.555   1.0728  380.901   39.888  329.447   60.172  421.237   53.276   18.337   1.6904   20.773   1.3212 -2.435665 2.145509 
1 1 1  -23   19   11 f   52.124   0.6613  2645.93   66.883  2614.38   95.685  2676.07   93.527   51.817   0.9513   52.431   0.9189 -0.6134071 1.322633 
1 1 1  -23   19   12 o   23.546   0.9425  536.017   42.839  602.219   64.793  484.602   57.101   24.822   1.3447   22.269   1.3209 2.552765 1.884949 
1 1 1  -23   19   13 o   48.240   0.8503  2301.65   71.347  2208.24  133.732  2338.82   84.355   47.477   1.4511   49.003   0.8868 -1.526031 1.700589 
1 1 1  -23   19   14 o   18.288   1.7894  377.913   49.002  272.778   99.104  411.935   56.376   16.078   3.2863   20.499   1.4168 -4.420931 3.578730 
1 1 1  -23   19   15 o   15.714   1.9132  258.143   52.776  239.834   91.941  267.140   64.453   15.025   3.2471   16.403   2.0242 -1.378114 3.826376 
1 1 1  -23   19   16 o   31.534   0.9723  941.235   57.140  1101.48   98.219  859.259   70.251   33.451   1.5126   29.617   1.2219 3.833771 1.944509 
1 1 1  -23   19   17 o   14.296   2.0036  171.793   51.911  358.543   98.487   99.953   61.084   18.788   2.7004   9.8048   2.9606 8.983106 4.007194 
1 1 1  -23   19   18 o   10.054   2.3337  105.725   51.726   78.209   92.681  118.173   62.338   9.5666   3.6273   10.541   2.9371 -0.9742737 4.667303 
1 1 1  -23   19   19 o   7.7709   2.2027   38.637   49.886   16.315   83.928   50.832   62.033   7.6781   3.2529   7.8637   2.9709 -0.1855712 4.405419 
1 1 1  -23   19   20 o   9.3485   2.4096   80.572   53.578   92.967   96.544   75.055   64.406   9.9416   3.7165   8.7553   3.0679 1.186319 4.819199 
1 1 1  -23   19   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   19   22 o   8.3530   2.3844   40.450   49.691   91.026  110.288   27.568   55.661   9.9410   3.9062   6.7651   2.7356 3.175883 4.768899 
1 1 1  -23   20    1 o   58.358   0.7140  3316.73   80.766  3330.08  111.432  3301.95  117.229   58.487   0.9815   58.230   1.0371 0.2576981 1.427911 
1 1 1  -23   20    2 o   34.435   0.8197  1158.39   54.631  1201.54   75.337  1110.53   79.339   35.119   1.1051   33.751   1.2110 1.368774 1.639422 
1 1 1  -23   20    3 o   24.312   1.0235  577.138   48.092  575.734   65.020  578.835   71.459   24.286   1.3792   24.337   1.5126 -0.5133247E-01 2.046950 
1 1 1  -23   20    4 o   19.280   1.2302  362.888   45.968  341.846   62.961  386.909   67.270   18.683   1.7360   19.876   1.7435 -1.192556 2.460405 
1 1 1  -23   20    5 o   19.381   1.1742  367.617   44.166  369.869   61.926  365.286   63.007   19.443   1.6408   19.318   1.6802 0.1245956 2.348429 
1 1 1  -23   20    6 o   9.6360   2.1171   91.949   43.775  101.209   63.802   83.713   60.171   10.022   3.0257   9.2503   2.9621 0.7713223 4.234233 
1 1 1  -23   20    7 f   15.790   1.4296  245.351   43.759  236.202   62.693  254.042   61.106   15.496   2.0842   16.083   1.9573 -0.5871487 2.859148 
1 1 1  -23   20    8 o   48.009   0.6683  2243.85   62.177  2235.78   90.553  2251.05   85.526   47.923   0.9734   48.095   0.9161 -0.1716652 1.336689 
1 1 1  -23   20    9 o   35.411   0.7295  1222.82   50.006  1199.26   73.072  1243.57   68.579   35.085   1.0729   35.737   0.9886 -0.6525078 1.458921 
1 1 1  -23   20   10 o   35.924   0.7061  1256.75   49.147  1260.05   71.813  1253.85   67.405   35.965   1.0286   35.884   0.9677 0.8096695E-01 1.412264 
1 1 1  -23   20   11 o   23.948   0.9005  559.841   41.809  563.888   60.739  556.197   57.636   24.027   1.3023   23.869   1.2439 0.1578064 1.800907 
1 1 1  -23   20   12 o   13.195   1.5853  175.034   39.763  172.725   56.894  177.240   55.596   13.005   2.3396   13.385   2.1398 -0.3795528 3.170566 
1 1 1  -23   20   13 o   8.8819   2.2304   27.735   47.662  152.033   93.834 -15.4836   55.331   12.053   3.6761   5.7103   2.5270 6.343103 4.460878 
1 1 1  -23   20   14 o   26.524   1.1962  727.749   51.120  629.893  104.225  758.748   58.661   25.175   2.1327   27.873   1.0842 -2.698189 2.392452 
1 1 1  -23   20   15 o   8.9865   2.3253   72.439   51.718   38.146   95.262   86.770   61.584   8.6887   3.5543   9.2843   2.9992 -0.5956402 4.650602 
1 1 1  -23   20   16 o   13.246   2.0199  178.243   48.754  212.152   82.386  159.968   60.481   14.125   3.0906   12.368   2.6017 1.757360 4.039832 
1 1 1  -23   20   17 o   25.978   1.1639  637.076   55.649  760.802   98.719  579.446   67.374   27.687   1.8368   24.269   1.4302 3.418785 2.327899 
1 1 1  -23   20   18 o   13.399   2.0651  151.707   51.821  320.916   97.566   85.214   61.161   17.647   2.8482   9.1506   2.9911 8.496030 4.130261 
1 1 1  -23   20   19 o   21.002   1.3671  465.763   51.499  368.197   85.829  520.648   64.374   19.046   2.3215   22.958   1.4445 -3.912466 2.734210 
1 1 1  -23   20   20 o   6.8655   2.1421  -4.5228   52.842 -39.8063   97.855   10.002   62.784   7.1053   3.2333   6.6257   2.8106 0.4796052 4.284140 
1 1 1  -23   20   21 o   19.749   1.4109  372.079   51.642  472.549   90.838  324.102   62.773   21.532   2.1733   17.967   1.7998 3.564562 2.821816 
1 1 1  -23   20   22 o   23.520   1.4622  560.066   52.951  571.967  118.928  557.123   59.135   23.318   2.6274   23.722   1.2842 -0.4037704 2.924395 
1 1 1  -23   21    1 o   30.708   0.8441  920.724   50.216  942.512   69.347  896.704   72.812   31.096   1.1488   30.320   1.2371 0.7753487 1.688260 
1 1 1  -23   21    2 o   42.053   0.7368  1721.79   59.825  1717.12   80.479  1727.56   89.439   41.997   0.9872   42.109   1.0942 -0.1127090 1.473690 
1 1 1  -23   21    3 o   15.539   1.4882  239.135   44.553  267.596   62.298  209.339   63.742   16.507   1.9442   14.571   2.2536 1.936242 2.976357 
1 1 1  -23   21    4 o   27.313   0.9098  731.297   47.947  767.885   65.384  688.732   70.523   28.064   1.2002   26.561   1.3678 1.503511 1.819695 
1 1 1  -23   21    5 o   21.385   1.1532  456.263   46.792  551.211   65.060  354.523   67.347   23.757   1.4108   19.013   1.8247 4.743948 2.306497 
1 1 1  -23   21    6 o   30.631   1.1442  926.615   60.061  899.998  115.610  936.454   70.291   30.266   1.9678   30.995   1.1683 -0.7286377 2.288442 
1 1 1  -23   21    7 o   35.201   0.7499  1206.43   51.191  1219.94   74.193  1194.15   70.722   35.386   1.0801   35.015   1.0405 0.3713646 1.499737 
1 1 1  -23   21    8 o   69.137   0.7164  4653.71   96.095  4698.58  138.447  4611.99  133.486   69.455   1.0269   68.819   0.9992 0.6366043 1.432790 
1 1 1  -23   21    9 o   48.614   0.6679  2300.14   62.925  2313.51   91.774  2288.27   86.445   48.743   0.9699   48.484   0.9185 0.2584381 1.335814 
1 1 1  -23   21   10 o   32.809   0.7555  1050.75   47.996  1023.95   69.872  1074.70   66.042   32.407   1.1107   33.211   1.0244 -0.8046112 1.511000 
1 1 1  -23   21   11 o   24.459   0.8752  579.436   41.272  624.756   62.906  545.182   54.689   25.287   1.2815   23.632   1.1922 1.654629 1.750304 
1 1 1  -23   21   12 o   12.857   1.6179  165.930   39.013  211.779   57.670  127.244   52.974   14.634   2.0301   11.080   2.5199 3.554345 3.235896 
1 1 1  -23   21   13 o   16.521   1.5273  251.500   44.733  320.748   86.264  226.030   52.317   17.903   2.4822   15.140   1.7802 2.762846 3.054590 
1 1 1  -23   21   14 o   9.8039   2.2420   95.697   44.620   87.623   90.710   98.274   51.249   9.8957   3.6198   9.7122   2.6463 0.1834784 4.483977 
1 1 1  -23   21   15 o   18.101   1.6708  330.675   53.076  324.757   98.204  333.117   63.082   17.854   2.8336   18.349   1.7711 -0.4949532 3.341529 
1 1 1  -23   21   16 o   15.281   1.9145  224.040   52.180  291.310   94.938  194.923   62.460   16.622   3.0549   13.939   2.3083 2.682396 3.828960 
1 1 1  -23   21   17 o   9.9654   2.1893  106.947   47.487   65.612   82.598  127.354   58.037   8.9684   3.4185   10.962   2.7360 -1.993897 4.378601 
1 1 1  -23   21   18 o   19.361   1.6132  396.900   52.618  339.744   99.630  419.009   61.964   18.141   2.8292   20.582   1.5509 -2.440577 3.226402 
1 1 1  -23   21   19 o   25.606   1.1523  671.425   52.827  595.349   91.912  708.954   64.555   24.365   1.9433   26.846   1.2388 -2.480778 2.304531 
1 1 1  -23   21   20 o   10.426   2.2618  125.563   51.540   53.127   99.981  151.779   60.148   8.9620   3.6508   11.891   2.6710 -2.928980 4.523625 
1 1 1  -23   21   21 o   9.1764   2.2637   64.469   45.299  145.974   90.433   37.168   52.338   11.373   3.6302   6.9795   2.7055 4.393981 4.527466 
1 1 1  -23   21   22 o   10.762   2.4393  100.941   48.687  201.813  109.891   76.306   54.308   12.993   3.9811   8.5314   2.8200 4.461304 4.878686 
1 1 1  -23   22    1 o   24.403   1.0437  591.109   48.647  653.629   65.644  514.950   72.452   25.876   1.3069   22.931   1.6277 2.944853 2.087400 
1 1 1  -23   22    2 f   47.424   0.7046  2191.60   64.709  2212.52   88.710  2167.81   94.598   47.672   0.9586   47.177   1.0330 0.4956703 1.409246 
1 1 1  -23   22    3 o   15.257   1.6494  228.941   46.906  177.010   62.349  296.660   71.199   13.157   2.5332   17.356   2.1132 -4.199533 3.298886 
1 1 1  -23   22    4 o   40.850   0.7380  1623.30   58.310  1601.76   78.932  1649.17   86.513   40.557   1.0026   41.142   1.0833 -0.5845680 1.476015 
1 1 1  -23   22    5 o   14.638   1.7536  236.966   45.294  339.472   61.621  116.498   66.803   18.614   1.7054   10.663   3.0646 7.950863 3.507179 
1 1 1  -23   22    6 o   37.866   0.7043  1394.82   51.729  1364.06   71.450  1428.71   74.992   37.429   0.9834   38.302   1.0086 -0.8736153 1.408674 
1 1 1  -23   22    7 o   27.338   0.8587  730.697   45.454  680.851   64.878  778.750   63.701   26.414   1.2653   28.261   1.1611 -1.847321 1.717348 
1 1 1  -23   22    8 o   42.034   0.6862  1720.93   55.963  1707.59   80.314  1733.52   78.022   41.873   0.9881   42.195   0.9526 -0.3217468 1.372484 
1 1 1  -23   22    9 o   24.260   0.9172  574.158   43.168  596.335   62.255  553.620   59.909   24.710   1.2979   23.809   1.2962 0.9012413 1.834308 
1 1 1  -23   22   10 o   47.606   0.6516  2211.25   60.076  2133.97   87.042  2281.55   83.021   46.804   0.9580   48.408   0.8835 -1.604694 1.303227 
1 1 1  -23   22   11 o   15.162   1.3695  225.437   40.092  240.043   60.541  214.028   53.506   15.588   2.0007   14.736   1.8705 0.8527193 2.738919 
1 1 1  -23   22   12 o   30.124   0.7622  888.159   44.417  849.769   64.657  922.465   61.121   29.497   1.1292   30.750   1.0240 -1.252800 1.524329 
1 1 1  -23   22   13 o   5.8048   1.8898 -33.8432   44.627 -109.7147   93.323 -11.3502   50.813   6.0676   2.8879   5.5419   2.4384 0.5257821 3.779684 
1 1 1  -23   22   14 o   12.164   2.0134  146.636   42.445  177.624   82.999  135.662   49.392   12.875   3.3043   11.453   2.3014 1.421906 4.026803 
1 1 1  -23   22   15 o   9.7309   2.3010   96.395   49.680   64.378   93.605  108.951   58.618   9.2775   3.6120   10.184   2.8518 -0.9069061 4.602094 
1 1 1  -23   22   16 o   22.052   1.3766  477.061   52.561  498.735  101.138  469.041   61.521   22.272   2.3393   21.833   1.4516 0.4392586 2.753115 
1 1 1  -23   22   17 o   8.3175   2.2032   58.129   46.433   55.699   79.435   59.390   57.229   8.5734   3.3303   8.0615   2.8853 0.5119352 4.406339 
1 1 1  -23   22   18 o   8.1976   2.2878   49.367   49.320   32.422   98.480   55.040   56.981   8.5328   3.5636   7.8623   2.8700 0.6704893 4.575619 
1 1 1  -23   22   19 o   11.203   2.2114  100.437   47.256  236.805   95.095   55.720   54.455   14.612   3.4141   7.7936   2.8117 6.818386 4.422865 
1 1 1  -23   22   20 o   18.595   1.6332  332.249   52.168  402.206  104.696  309.143   60.170   19.619   2.7491   17.572   1.7640 2.047026 3.266381 
1 1 1  -23   22   21 o   16.632   1.8134  297.288   46.308  282.612   97.601  301.551   52.606   15.882   3.2745   17.381   1.5592 -1.498546 3.626783 
1 1 1  -23   23    1 o   45.486   0.7058  2016.35   62.271  2046.80   86.849  1984.13   89.333   45.843   0.9759   45.129   1.0197 0.7143593 1.411509 
1 1 1  -23   23    2 o   43.063   0.7208  1804.84   60.225  1745.44   83.724  1868.53   86.697   42.330   1.0189   43.797   1.0198 -1.467022 1.441560 
1 1 1  -23   23    3 o   43.956   0.7068  1878.98   60.242  1825.35   82.860  1939.11   87.738   43.294   0.9859   44.619   1.0130 -1.324471 1.413594 
1 1 1  -23   23    4 o   53.276   0.6820  2762.67   70.492  2736.22   97.754  2791.31  101.747   53.013   0.9499   53.539   0.9790 -0.5258522 1.364100 
1 1 1  -23   23    5 o   22.828   1.0371  508.946   45.799  502.578   62.088  516.548   67.832   22.678   1.4104   22.978   1.5207 -0.3002872 2.074105 
1 1 1  -23   23    6 o   16.699   1.4279  274.391   46.167  272.810   63.004  276.224   67.844   16.655   1.9488   16.743   2.0875 -0.8767891E-01 2.855757 
1 1 1  -23   23    7 o   39.664   0.7227  1533.66   55.578  1621.40   78.726  1446.48   78.473   40.800   0.9940   38.528   1.0492 2.271358 1.445334 
1 1 1  -23   23    8 o   37.200   0.7374  1347.58   53.215  1376.86   76.870  1320.64   73.741   37.586   1.0536   36.813   1.0319 0.7723312 1.474739 
1 1 1  -23   23    9 o   28.031   0.8252  768.866   44.719  740.322   65.535  793.739   61.175   27.535   1.2261   28.527   1.1047 -0.9922047 1.650367 
1 1 1  -23   23   10 o   33.641   0.7061  1103.03   46.025  1106.44   67.181  1100.01   63.182   33.685   1.0274   33.596   0.9688 0.8955383E-01 1.412152 
1 1 1  -23   23   11 o   43.872   0.6467  1875.68   55.057  1875.66   76.861  1875.69   78.903   43.874   0.9025   43.870   0.9265 0.4257202E-02 1.293409 
1 1 1  -23   23   12 o   30.903   0.7491  932.570   44.750  929.131   66.328  935.443   60.627   30.842   1.1079   30.963   1.0087 -0.1213589 1.498281 
1 1 1  -23   23   13 f   17.215   1.7734  303.705   45.259  298.861  101.392  304.910   50.577   16.815   3.2236   17.614   1.4792 -0.7994289 3.546797 
1 1 1  -23   23   14 o   11.923   1.9093  190.448   40.634   43.249   90.691  227.419   45.451   8.6495   3.4939   15.196   1.5409 -6.546099 3.818598 
1 1 1  -23   23   15 o   12.706   1.9507  185.930   45.939  108.590   78.436  226.311   56.677   10.318   3.3880   15.093   1.9345 -4.775010 3.901391 
1 1 1  -23   23   16 o   8.4040   2.3051   52.903   48.592   48.868   97.769   54.227   55.998   8.9634   3.6253   7.8446   2.8480 1.118805 4.610137 
1 1 1  -23   23   17 o   17.879   1.6336  329.862   48.561  309.226   96.239  336.911   56.247   17.303   2.8652   18.454   1.5701 -1.151119 3.267216 
1 1 1  -23   23   18 o   20.223   1.5324  442.299   48.948  359.565   99.997  468.368   56.132   18.644   2.7631   21.803   1.3263 -3.158884 3.064893 
1 1 1  -23   23   19 o   6.4034   1.9274  -8.0819   47.514 -196.9384  101.170   45.361   53.818   5.4350   2.6796   7.3717   2.7711 -1.936731 3.854802 
1 1 1  -23   23   20 o   15.020   1.9800  230.095   43.722  258.797  103.721  223.893   48.215   15.070   3.5958   14.971   1.6591 0.9929848E-01 3.960073 
1 1 1  -23   23   21 o   12.306   2.0071  208.387   44.807   58.721  100.752  245.285   50.026   8.9688   3.6605   15.642   1.6475 -6.673544 4.014209 
1 1 1  -23   24    1 o   13.378   1.9019  183.061   47.496  167.903   63.738  201.986   71.222   12.753   2.6607   14.003   2.7183 -1.249314 3.803719 
1 1 1  -23   24    2 o   6.6575   1.9913   5.2599   43.567   0.4731   56.248   12.438   68.880   6.1885   2.6437   7.1265   2.9786 -0.9379368 3.982617 
1 1 1  -23   24    3 o   28.243   0.9467  785.557   51.483  858.859   70.866  703.628   74.920   29.664   1.2307   26.822   1.4389 2.841658 1.893415 
1 1 1  -23   24    4 o   26.386   0.9548  689.242   48.252  773.785   66.070  592.616   70.634   28.160   1.2087   24.611   1.4785 3.548677 1.909665 
1 1 1  -23   24    5 o   42.617   0.7025  1770.20   58.005  1785.68   79.843  1752.89   84.412   42.820   0.9606   42.415   1.0252 0.4050713 1.404910 
1 1 1  -23   24    6 f   48.268   0.6860  2266.60   64.110  2233.21   87.292  2305.70   94.463   47.888   0.9390   48.648   1.0003 -0.7601318 1.372002 
1 1 1  -23   24    7 o   11.616   2.0009  140.302   44.752  129.932   63.337  150.641   63.241   11.181   2.8953   12.050   2.7626 -0.8689480 4.001797 
1 1 1  -23   24    8 o   14.745   1.6142  219.138   44.918  243.471   63.361  194.552   63.688   15.699   2.0792   13.791   2.4697 1.907366 3.228347 
1 1 1  -23   24    9 o   34.860   0.7336  1184.53   49.603  1199.03   71.750  1171.25   68.651   35.061   1.0542   34.658   1.0204 0.4031868 1.467165 
1 1 1  -23   24   10 o   27.462   0.8362  738.177   44.495  705.609   63.929  768.778   61.968   26.866   1.2258   28.057   1.1378 -1.190691 1.672475 
1 1 1  -23   24   11 o   23.894   0.8875  558.228   41.115  596.806   58.942  521.665   57.381   24.702   1.2292   23.087   1.2804 1.614851 1.774923 
1 1 1  -23   24   12 o   38.764   0.6354  1465.10   47.795  1417.66   67.400  1513.10   67.788   38.130   0.9106   39.397   0.8864 -1.267353 1.270765 
1 1 1  -23   24   13 o   21.115   1.4267  466.112   44.948  407.217  101.484  480.484   50.133   20.072   2.6046   22.158   1.1656 -2.085917 2.853491 
1 1 1  -23   24   14 o   12.367   2.0454  191.632   41.796   85.664   99.200  214.503   46.086   9.9872   3.7607   14.748   1.6099 -4.760325 4.090746 
1 1 1  -23   24   15 o   15.216   1.7278  241.072   45.610  225.566   80.761  248.333   55.268   14.603   2.9505   15.828   1.7988 -1.224366 3.455584 
1 1 1  -23   24   16 o   8.1934   2.0771   58.373   47.556 -69.4834   96.464   99.425   54.660   6.6743   3.0995   9.7124   2.7659 -3.038090 4.154177 
1 1 1  -23   24   17 o   22.936   1.2969  509.948   50.616  556.017  101.033  494.510   58.485   23.466   2.2180   22.407   1.3446 1.059532 2.593735 
1 1 1  -23   24   18 o   6.7872   1.9950   15.992   44.524 -69.2967   87.412   45.871   51.738   6.2373   2.9145   7.3372   2.7251 -1.099872 3.989987 
1 1 1  -23   24   19 o   14.050   2.1435  187.264   48.240  272.867  107.062  165.457   54.036   15.536   3.6175   12.563   2.3005 2.972791 4.287054 
1 1 1  -23   24   20 o   16.573   1.8482  288.808   42.313  292.349  103.628  288.100   46.353   16.104   3.4206   17.042   1.4011 -0.9386616 3.696480 
1 1 1  -23   24   21 o   7.1381   2.1808   8.0542   43.997   44.557  101.827  -0.3246   48.786   8.6710   3.6227   5.6051   2.4288 3.065898 4.361544 
1 1 1  -23   25    1 o   9.2348   2.1677   82.828   45.460   89.778   62.458   74.999   66.294   9.4836   3.0159   8.9860   3.1146 0.4975052 4.335455 
1 1 1  -23   25    2 o   38.929   0.7517  1476.10   56.771  1547.98   81.788  1409.26   78.865   39.843   1.0575   38.014   1.0687 1.829052 1.503485 
1 1 1  -23   25    3 o   45.848   0.6960  2048.70   61.927  2079.03   87.141  2017.74   88.021   46.194   0.9718   45.503   0.9965 0.6904335 1.391906 
1 1 1  -23   25    4 o   14.814   1.5431  217.440   44.298  228.109   62.022  206.328   63.292   15.196   2.1026   14.433   2.2591 0.7631521 3.086167 
1 1 1  -23   25    5 o   29.244   0.8592  835.047   48.720  835.056   67.339  835.037   70.576   29.249   1.1860   29.240   1.2434 0.8544922E-02 1.718348 
1 1 1  -23   25    6 o   19.736   1.1562  385.748   43.723  454.184   61.637  316.433   62.032   21.535   1.4745   17.938   1.7815 3.596880 2.312497 
1 1 1  -23   25    7 o   18.825   1.2408  349.638   45.034  399.283   64.079  301.185   63.305   20.166   1.6369   17.485   1.8652 2.681444 2.481616 
1 1 1  -23   25    8 o   8.0182   2.1010   51.145   43.317   41.834   58.142   62.760   64.939   7.5381   2.8694   8.4984   3.0697 -0.9603195 4.201970 
1 1 1  -23   25    9 o   7.8360   2.0318   45.774   42.644   79.915   59.321   9.2641   61.345   9.0120   2.9458   6.6601   2.7990 2.351897 4.063518 
1 1 1  -23   25   10 o   15.735   1.3846  246.715   41.592  301.872   59.473  193.914   58.189   17.499   1.7508   13.971   2.1455 3.527852 2.769217 
1 1 1  -23   25   11 o   17.037   1.2120  289.739   39.575  248.418   57.599  326.690   54.468   15.847   1.8725   18.228   1.5393 -2.381669 2.423980 
1 1 1  -23   25   12 o   12.083   1.5577  150.259   35.264  116.656   50.084  183.295   49.659   10.568   2.4834   13.599   1.8812 -3.030893 3.115490 
1 1 1  -23   25   13 f   16.432   1.5739  238.481   44.084  340.619   92.484  208.451   50.148   18.352   2.5962   14.512   1.7801 3.839334 3.147847 
1 1 1  -23   25   14 f   22.102   1.4130  479.290   52.972  500.627  105.194  472.041   61.313   22.296   2.4305   21.909   1.4417 0.3871670 2.825919 
1 1 1  -23   25   15 o   12.828   2.1590  163.990   48.063  205.195   94.465  149.598   55.829   13.699   3.5302   11.957   2.4865 1.742791 4.317963 
1 1 1  -23   25   16 o   13.061   2.0534  198.254   45.789  137.125   92.336  218.189   52.729   11.322   3.6739   14.800   1.8354 -3.477979 4.106856 
1 1 1  -23   25   17 o   5.6821   1.8952 -47.8762   45.793 -101.6501   99.307 -33.3545   51.607   6.3330   3.0040   5.0312   2.3115 1.301843 3.790340 
1 1 1  -23   25   18 o   21.643   1.2934  458.565   49.217  493.471   92.942  444.962   58.020   22.070   2.1695   21.216   1.4088 0.8535061 2.586754 
1 1 1  -23   25   19 o   32.418   0.8696  1027.98   54.724   0.0000   0.0000  1027.98   54.724  ?   ?    32.418   0.8696      ?      ? 
1 1 1  -23   25   20 o   7.7706   2.1842   28.696   40.203   93.846   92.832   13.656   44.603   9.7234   3.6425   5.8179   2.4113 3.905461 4.368337 
1 1 1  -23   26    1 o   34.156   0.8000  1141.93   52.833  1174.27   72.218  1104.69   77.495   34.688   1.0725   33.624   1.1873 1.063992 1.599986 
1 1 1  -23   26    2 o   42.688   0.7092  1779.61   58.636  1823.73   80.850  1730.66   85.167   43.255   0.9629   42.122   1.0416 1.133396 1.418484 
1 1 1  -23   26    3 o   26.096   0.9696  666.672   49.055  669.107   67.774  663.993   71.095   26.151   1.3351   26.040   1.4065 0.1115227 1.939229 
1 1 1  -23   26    4 o   48.570   0.6926  2299.55   65.291  2267.61   92.344  2331.47   92.327   48.231   0.9863   48.908   0.9725 -0.6772995 1.385115 
1 1 1  -23   26    5 o   32.488   0.8094  1030.61   51.037  1051.96   72.127  1009.21   72.228   32.827   1.1319   32.149   1.1574 0.6782379 1.618846 
1 1 1  -23   26    6 o   12.076   1.9673  151.827   45.208  138.433   62.906  166.134   65.014   11.511   2.8341   12.641   2.7294 -1.130111 3.934677 
1 1 1  -23   26    7 o   5.4110   1.7657 -50.0001   43.777 -74.9353   61.775 -24.8466   62.045   4.9512   2.3545   5.8708   2.6318 -0.9196625 3.531326 
1 1 1  -23   26    8 o   13.635   1.6570  189.107   42.500  197.388   57.399  179.058   63.231   14.108   2.0959   13.162   2.5671 0.9467716 3.314009 
1 1 1  -23   26    9 o   4.9472   1.6302 -57.5083   39.786 -20.1214   52.923 -106.0982   60.333   5.4543   2.4389   4.4402   2.1639 1.014081 3.260473 
1 1 1  -23   26   10 o   11.947   1.7716  146.212   40.593  180.109   58.372  114.469   56.488   13.439   2.2376   10.456   2.7473 2.983096 3.543267 
1 1 1  -23   26   11 o   21.869   0.9656  467.229   40.899  505.460   60.238  434.533   55.708   22.695   1.3673   21.043   1.3638 1.651876 1.931176 
1 1 1  -23   26   12 o   29.762   1.0624  878.744   52.495  858.066  106.004  885.463   60.424   29.419   1.8562   30.104   1.0340 -0.6847973 2.124761 
1 1 1  -23   26   13 o   23.031   1.2408  519.609   48.496  535.548   96.012  514.150   56.190   23.161   2.1355   22.901   1.2640 0.2594872 2.481555 
1 1 1  -23   26   14 o   24.039   1.3023  570.195   53.656  581.311  104.286  566.192   62.573   24.071   2.2319   24.007   1.3427 0.6414795E-01 2.604656 
1 1 1  -23   26   15 o   15.176   2.0137  253.755   48.509  216.439   99.365  265.431   55.583   14.002   3.6268   16.350   1.7512 -2.348928 4.027488 
1 1 1  -23   26   16 o   13.497   1.9239  180.527   44.650  215.949   86.653  167.723   52.099   14.076   3.2387   12.918   2.0776 1.157251 3.847811 
1 1 1  -23   26   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   26   18 o   15.515   1.7211  253.650   38.969  244.706   88.476  255.803   43.407   14.946   3.1490   16.084   1.3903 -1.137725 3.442229 
1 1 1  -23   26   19 o   5.8818   1.9410 -23.4487   39.889 -67.9633  104.263 -15.8160   43.174   6.8794   3.2039   4.8842   2.1920 1.995286 3.882035 
1 1 1  -23   26   20 o   7.8322   2.0896   49.896   38.124   69.420   79.003   43.970   43.527   8.7381   3.3403   6.9264   2.5115 1.811660 4.179132 
1 1 1  -23   27    1 o   38.596   0.7374  1459.45   55.033  1558.99   76.461  1352.45   79.272   39.979   0.9852   37.214   1.0974 2.764362 1.474751 
1 1 1  -23   27    2 o   30.063   0.8423  889.922   48.785  978.026   67.488  793.500   70.602   31.649   1.0985   28.477   1.2772 3.171474 1.684625 
1 1 1  -23   27    3 o   45.748   0.6758  2049.75   59.708  2163.74   81.950  1920.76   87.170   47.123   0.8959   44.374   1.0120 2.748714 1.351567 
1 1 1  -23   27    4 o   17.677   1.2909  312.052   43.535  333.910   57.835  283.473   66.132   18.431   1.6165   16.923   2.0131 1.507629 2.581842 
1 1 1  -23   27    5 o   14.517   1.5705  209.555   44.221  198.808   62.269  220.490   62.811   14.134   2.2695   14.901   2.1716 -0.7663422 3.141095 
1 1 1  -23   27    6 o   36.137   0.7305  1273.53   51.228  1301.16   73.639  1247.63   71.313   36.516   1.0389   35.759   1.0273 0.7569199 1.461058 
1 1 1  -23   27    7 o   29.772   0.8285  866.239   47.872  889.539   68.054  843.416   67.353   30.170   1.1620   29.374   1.1812 0.7959232 1.656988 
1 1 1  -23   27    8 o   11.546   1.8812  140.622   41.626  110.179   59.787  169.264   57.990   10.277   2.8810   12.815   2.4199 -2.537986 3.762413 
1 1 1  -23   27    9 o   8.3892   1.8291   53.495   40.226 -23.8159   56.827  131.140   56.950   5.5873   2.5107   11.191   2.6606 -5.603759 3.658187 
1 1 1  -23   27   10 o   17.666   1.2150  310.076   41.358  348.418   58.008  270.434   58.982   18.806   1.5890   16.527   1.8385 2.279123 2.430060 
1 1 1  -23   27   11 o   19.036   1.1435  356.906   42.199  347.763   57.937  367.237   61.588   18.782   1.5891   19.290   1.6447 -0.5080853 2.286983 
1 1 1  -23   27   12 o   27.593   1.1576  720.735   54.843  818.099  109.120  687.829   63.437   28.691   1.9593   26.495   1.2334 2.195313 2.315195 
1 1 1  -23   27   13 o   21.436   1.2966  425.607   48.358  525.796   95.772  391.323   56.024   22.929   2.1517   19.943   1.4472 2.986216 2.593144 
1 1 1  -23   27   14 o   16.165   1.7049  238.511   49.468  336.279   94.356  201.452   58.092   18.149   2.6782   14.180   2.1104 3.968738 3.409789 
1 1 1  -23   27   15 o   14.745   2.0831  269.438   47.707  159.075  101.617  300.641   54.032   12.065   3.8479   17.424   1.5975 -5.359051 4.166275 
1 1 1  -23   27   16 o   29.721   1.0433  871.526   52.388  877.166  103.812  869.599   60.681   29.650   1.8037   29.792   1.0493 -0.1416225 2.086687 
1 1 1  -23   27   17 o   11.214   2.3200  121.609   44.693  167.036  104.489  111.438   49.445   12.202   3.9029   10.227   2.5095 1.975490 4.640093 
1 1 1  -23   27   18 o   7.3253   2.0410   37.198   35.775   43.997   81.310   35.566   39.838   8.1775   3.3065   6.4731   2.3938 1.704400 4.082065 
1 1 1  -23   27   19 o   8.1054   2.1499   61.570   38.325   2.9738  108.129   69.989   40.985   8.0771   3.5554   8.1336   2.4182 -0.5651188E-01 4.299857 
1 1 1  -23   28    1 o   18.351   1.4149  350.667   47.309  467.901   65.386  221.866   68.536   21.813   1.5442   14.889   2.3713 6.923679 2.829773 
1 1 1  -23   28    2 o   31.556   0.8276  975.950   50.427  998.450   68.361  949.092   74.688   31.969   1.1016   31.143   1.2354 0.8262386 1.655225 
1 1 1  -23   28    3 o   17.890   1.2915  315.224   44.787  296.722   61.500  336.117   65.352   17.332   1.8279   18.448   1.8250 -1.115261 2.582958 
1 1 1  -23   28    4 o   7.8604   1.9308   35.742   43.452  107.851   60.138 -43.0215   62.851   10.180   2.9020   5.5411   2.5476 4.638478 3.861599 
1 1 1  -23   28    5 o   18.517   1.2031  341.690   42.706  371.871   57.821  305.466   63.346   19.454   1.5311   17.581   1.8561 1.872704 2.406158 
1 1 1  -23   28    6 o   5.8260   1.8250 -35.4831   43.480 -86.1715   60.673   18.032   62.342   4.7163   2.2671   6.9356   2.8606 -2.219316 3.650071 
1 1 1  -23   28    7 o   13.850   1.6546  199.558   42.268  248.018   58.770  147.630   60.836   15.826   1.9130   11.875   2.7002 3.951411 3.309211 
1 1 1  -23   28    8 o   21.000   1.0567  433.544   43.068  423.541   60.790  443.626   61.026   20.754   1.5089   21.246   1.4797 -0.4916782 2.113393 
1 1 1  -23   28    9 o   7.9518   2.0465   54.830   40.935   52.172   58.171   57.437   57.614   7.8619   2.8953   8.0417   2.8932 -0.1797762 4.093076 
1 1 1  -23   28   10 o   10.105   1.8221  106.874   38.962  165.061   54.519   46.139   55.700   12.654   2.3044   7.5549   2.8232 5.099295 3.644261 
1 1 1  -23   28   11 o   13.268   1.6302  203.273   38.312  303.102   51.683   81.503   57.081   17.546   1.5174   8.9902   2.8857 8.555817 3.260308 
1 1 1  -23   28   12 o   9.7428   2.3641   91.910   49.056   82.707  101.600   94.707   56.019   9.9462   3.7914   9.5395   2.8250 0.4066038 4.728158 
1 1 1  -23   28   13 f   14.286   2.0095  193.042   47.619  257.061   99.341  173.944   54.259   15.393   3.4139   13.179   2.1209 2.214157 4.019083 
1 1 1  -23   28   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   28   15 o   29.662   1.0654  831.659   54.947  958.366  107.466  786.810   63.937   31.013   1.7851   28.312   1.1634 2.700336 2.130749 
1 1 1  -23   28   16 o   25.317   1.1337  620.893   50.313  673.459   95.766  600.852   59.131   25.922   1.9032   24.713   1.2326 1.209728 2.267464 
1 1 1  -23   28   17 o   28.563   1.0426  745.681   41.220  903.120  110.987  720.490   44.396   29.975   1.9074   27.152   0.8423 2.823654 2.085121 
1 1 1  -23   28   18 o   11.405   1.9588  155.230   35.809  100.083   89.082  165.858   39.108   9.9083   3.5928   12.902   1.5615 -2.993517 3.917502 
1 1 1  -23   28   19 o   19.158   1.1168  361.618   41.533   0.0000   0.0000  361.618   41.533  ?   ?    19.158   1.1168      ?      ? 
1 1 1  -23   29    1 o   7.8750   2.1121   48.191   44.433   48.982   61.805   47.344   63.926   7.8668   2.9670   7.8833   3.0068 -0.1646519E-01 4.224266 
1 1 1  -23   29    2 o   7.9545   2.0941   48.801   43.581   30.021   58.634   71.983   65.145   7.1237   2.8326   8.7854   3.0851 -1.661683 4.188213 
1 1 1  -23   29    3 o   37.581   0.7325  1386.89   53.112  1474.21   72.769  1287.34   77.695   38.869   0.9645   36.292   1.1029 2.576622 1.465076 
1 1 1  -23   29    4 o   23.796   1.0043  554.732   46.123  477.008   63.628  640.793   66.954   22.030   1.4879   25.562   1.3493 -3.531887 2.008614 
1 1 1  -23   29    5 o   23.630   0.9797  548.032   44.897  550.130   62.263  545.759   64.800   23.683   1.3544   23.577   1.4158 0.1056843 1.959313 
1 1 1  -23   29    6 o   38.400   0.7136  1439.78   53.193  1448.73   75.144  1430.79   75.308   38.521   1.0049   38.280   1.0135 0.2411308 1.427227 
1 1 1  -23   29    7 o   19.660   1.1284  384.204   42.564  408.399   57.227  354.245   63.679   20.385   1.4462   18.934   1.7325 1.450703 2.256802 
1 1 1  -23   29    8 o   13.290   1.6994  186.285   41.564   98.125   57.624  281.897   60.010   9.7111   2.8623   16.868   1.8327 -7.157409 3.398783 
1 1 1  -23   29    9 o   18.510   1.1817  338.299   42.448  349.639   60.387  327.222   59.680   18.820   1.6529   18.200   1.6892 0.6200981 2.363414 
1 1 1  -23   29   10 o   6.5469   1.9036   16.810   38.862   12.139   53.535   22.012   56.504   6.3262   2.6335   6.7677   2.7494 -0.4415555 3.807132 
1 1 1  -23   29   11 o   10.489   1.8341  113.351   37.591   83.611   50.671  149.753   56.061   8.9991   2.6918   11.979   2.4920 -2.980291 3.668182 
1 1 1  -23   29   12 o   9.1682   2.2374   84.374   45.904   38.092   97.474   97.564   52.035   8.7005   3.5814   9.6358   2.6829 -0.9353170 4.474879 
1 1 1  -23   29   13 o   13.871   2.0792  186.520   46.300  233.859  102.197  174.295   51.935   14.546   3.6307   13.197   2.0274 1.349436 4.158418 
1 1 1  -23   29   14 o   25.263   1.1072  624.921   52.574  659.730   86.828  604.773   66.060   25.756   1.7367   24.771   1.3738 0.9841824 2.214369 
1 1 1  -23   29   15 o   27.532   1.1395  702.936   55.978  881.212  106.406  634.715   65.823   29.691   1.8462   25.374   1.3363 4.316353 2.279099 
1 1 1  -23   29   16 o   30.013   1.0558  868.492   55.469  949.375  106.037  838.021   65.084   30.822   1.7723   29.203   1.1481 1.619307 2.111641 
1 1 1  -23   29   17 o   8.4610   2.2179   29.164   35.015  147.357  100.522   12.843   37.354   11.495   3.8383   5.4266   2.2235 6.068791 4.435794 
1 1 1  -23   29   18 o   24.878   1.0872  556.266   37.468  709.948  101.835  532.205   40.294   26.446   1.9837   23.309   0.8905 3.137125 2.174398 
1 1 1  -23   30    1 o   16.175   1.4942  258.635   46.621  222.160   62.951  302.943   69.381   14.911   2.1749   17.440   2.0494 -2.529222 2.988368 
1 1 1  -23   30    2 o   24.072   0.9845  575.094   45.501  630.027   62.079  511.326   66.885   25.353   1.2614   22.791   1.5118 2.561476 1.968934 
1 1 1  -23   30    3 o   8.4431   1.9855   55.812   43.333  -5.3163   60.449  120.427   62.150   6.2037   2.6959   10.683   2.9156 -4.478815 3.970993 
1 1 1  -23   30    4 o   24.252   0.9711  574.692   45.575  516.321   62.257  642.091   66.899   22.927   1.3989   25.578   1.3474 -2.651320 1.942238 
1 1 1  -23   30    5 o   25.313   0.9408  627.966   46.199  656.256   66.604  601.733   64.138   25.863   1.3267   24.763   1.3342 1.099167 1.881559 
1 1 1  -23   30    6 o   37.081   0.7181  1342.21   51.637  1362.19   74.891  1324.11   71.294   37.339   1.0332   36.822   0.9974 0.5172653 1.436115 
1 1 1  -23   30    7 o   13.480   1.6509  184.499   42.237  169.849   58.367  200.604   61.198   12.801   2.4379   14.159   2.2266 -1.358318 3.301701 
1 1 1  -23   30    8 o   32.415   0.7150  1025.56   44.939  1041.30   65.334  1011.43   61.911   32.646   1.0310   32.183   0.9910 0.4635353 1.430022 
1 1 1  -23   30    9 o   7.0187   1.9376   32.107   38.477   19.914   54.882   43.894   53.959   6.6279   2.7030   7.4095   2.7768 -0.7816019 3.875159 
1 1 1  -23   30   10 o   15.601   1.2853  241.489   38.845  260.484   55.226  222.887   54.650   16.220   1.7540   14.982   1.8791 1.237972 2.570548 
1 1 1  -23   30   11 o   25.783   0.8163  650.103   40.813  692.534   59.020  611.221   56.498   26.590   1.1434   24.976   1.1653 1.614141 1.632595 
1 1 1  -23   30   12 o   9.9674   1.9477   48.059   44.486  228.205   84.042 -22.0643   52.434   14.593   3.0643   5.3415   2.4049 9.251675 3.895326 
1 1 1  -23   30   13 o   12.868   2.1600  180.642   45.933  160.871  102.169  185.650   51.423   12.112   3.8578   13.624   1.9444 -1.511678 4.320100 
1 1 1  -23   30   14 o   9.6990   2.3196   87.214   48.377  127.784   89.425   70.427   57.521   10.938   3.6188   8.4601   2.9030 2.477923 4.639282 
1 1 1  -23   30   15 o   15.136   1.9758  252.342   48.255  220.993   96.237  262.871   55.773   14.048   3.5327   16.225   1.7709 -2.177016 3.951675 
1 1 1  -23   30   16 o   29.421   0.9747  770.254   39.968  986.542  108.124  736.023   43.014   31.393   1.7743   27.449   0.8073 3.944349 1.949309 
1 1 1  -23   30   17 o   15.140   1.5738  168.249   32.423  346.818   98.232  146.417   34.348   18.139   2.7898   12.141   1.4575 5.998555 3.147547 
1 1 1  -23   30   18 o   14.324   3.5365  236.992   97.741  236.992   97.741   0.0000   0.0000   14.324   3.5365  ?   ?       ?      ? 
1 1 1  -23   31    1 o   8.8173   2.1747   73.233   45.805   65.230   63.808   81.741   65.795   8.4900   3.0458   9.1446   3.1050 -0.6546488 4.349481 
1 1 1  -23   31    2 o   12.324   1.8703  157.053   43.350  131.010   58.185  189.546   64.991   11.152   2.7136   13.497   2.5746 -2.344982 3.740570 
1 1 1  -23   31    3 o   12.231   1.8411  164.759   45.233  254.073   62.004   63.150   66.134   15.982   1.9986   8.4806   3.0925 7.501003 3.682173 
1 1 1  -23   31    4 o   16.761   1.3494  279.386   43.738  285.610   59.733  272.191   64.221   16.981   1.8121   16.541   2.0000 0.4398708 2.698856 
1 1 1  -23   31    5 o   6.3193   1.9215  -0.2064   42.579   5.8004   59.299  -6.5998   61.177   6.4307   2.7299   6.2079   2.7048 0.2228003 3.842965 
1 1 1  -23   31    6 o   11.893   1.9348  149.618   43.666  157.577   59.284  140.180   64.559   12.281   2.5692   11.504   2.8937 0.7778473 3.869679 
1 1 1  -23   31    7 o   40.093   0.6958  1570.07   54.136  1602.69   76.303  1537.01   76.820   40.516   0.9702   39.670   0.9976 0.8454704 1.391545 
1 1 1  -23   31    8 o   28.700   0.7984  806.421   44.456  823.655   62.312  788.555   63.445   29.017   1.1063   28.383   1.1515 0.6342506 1.596819 
1 1 1  -23   31    9 o   8.7168   1.9527   75.771   39.504  108.719   53.045   34.743   59.193   10.160   2.6588   7.2740   2.8606 2.885525 3.905463 
1 1 1  -23   31   10 o   38.206   0.6775  1424.61   50.191  1334.98   69.899  1520.01   72.116   36.963   0.9742   39.450   0.9417 -2.486984 1.354944 
1 1 1  -23   31   11 o   10.381   1.8429  115.152   37.711  141.837   52.262   86.164   54.469   11.647   2.3916   9.1144   2.8045 2.532692 3.685803 
1 1 1  -23   31   12 o   27.420   1.0506  743.029   50.589  741.752   94.151  743.547   59.984   27.301   1.7766   27.539   1.1221 -0.2381897 2.101230 
1 1 1  -23   31   13 o   12.179   2.2504  127.619   46.163  241.733  102.831   98.817   51.662   14.713   3.6241   9.6444   2.6690 5.069130 4.500881 
1 1 1  -23   31   14 o   20.190   1.4090  382.510   48.875  470.840   98.592  353.731   56.277   21.489   2.3635   18.890   1.5347 2.598450 2.818095 
1 1 1  -23   31   15 o   38.627   0.9155  1464.70   61.561  1487.60  116.748  1455.89   72.451   38.699   1.5541   38.555   0.9681 0.1435661 1.830977 
1 1 1  -23   31   16 o   8.6169   3.5823   41.512   98.868   41.512   98.868   0.0000   0.0000   8.6169   3.5823  ?   ?       ?      ? 
1 1 1  -23   31   17 o   24.197   2.1558  599.542  101.260  599.542  101.260   0.0000   0.0000   24.197   2.1558  ?   ?       ?      ? 
1 1 1  -23   32    1 o   16.192   1.4563  260.587   45.035  255.314   58.428  268.304   70.686   16.029   1.8777   16.355   2.2264 -0.3258190 2.912560 
1 1 1  -23   32    2 o   25.815   0.9610  654.849   48.135  661.900   67.234  647.434   68.944   25.963   1.3340   25.667   1.3838 0.2965355 1.922086 
1 1 1  -23   32    3 o   34.000   0.7854  1131.17   51.817  1169.54   73.391  1093.02   73.169   34.579   1.0934   33.421   1.1278 1.158535 1.570804 
1 1 1  -23   32    4 o   13.144   1.7834  182.206   43.908  220.650   60.130  138.290   64.267   14.871   2.0829   11.418   2.8954 3.453639 3.566801 
1 1 1  -23   32    5 o   33.526   0.7477  1096.40   48.589  1019.76   67.110  1180.83   70.440   32.294   1.0705   34.758   1.0440 -2.463165 1.495315 
1 1 1  -23   32    6 o   15.441   1.4421  235.462   42.900  198.798   57.909  280.057   63.866   14.106   2.1148   16.776   1.9611 -2.670080 2.884151 
1 1 1  -23   32    7 o   24.258   0.9454  578.212   44.435  533.524   62.362  624.300   63.330   23.297   1.3790   25.220   1.2936 -1.923220 1.890756 
1 1 1  -23   32    8 o   11.975   1.8317  150.788   41.322  152.777   57.511  148.664   59.412   12.074   2.5346   11.876   2.6450 0.1973982 3.663318 
1 1 1  -23   32    9 o   16.306   1.2381  262.118   39.062  239.327   52.861  289.533   57.977   15.530   1.7534   17.083   1.7484 -1.552517 2.476158 
1 1 1  -23   32   10 o   11.486   1.7184  136.883   38.058   93.870   52.769  183.509   54.940   9.4458   2.7263   13.525   2.0926 -4.079579 3.436816 
1 1 1  -23   32   11 o   26.235   1.2805  681.833   51.140  691.846  117.072  679.472   56.851   26.143   2.3069   26.328   1.1124 -0.1842747 2.561088 
1 1 1  -23   32   12 o   20.684   1.3063  386.411   44.945  510.662   96.664  352.140   50.767   22.473   2.2158   18.894   1.3842 3.578897 2.612624 
1 1 1  -23   32   13 o   12.139   2.0665  184.425   41.926   90.015  101.183  203.995   46.067   9.9563   3.7864   14.322   1.6570 -4.365812 4.133079 
1 1 1  -23   32   14 o   17.598   1.5585  262.065   41.701  408.314  104.643  234.455   45.467   19.824   2.7193   15.373   1.5236 4.450708 3.117061 
1 1 1  -23   32   15 f   9.3758   3.5714   79.952   90.113   79.952   90.113   0.0000   0.0000   9.3758   3.5714  ?   ?       ?      ? 
1 1 1  -23   32   16 o   17.295   3.3460  334.721  108.272  334.721  108.272   0.0000   0.0000   17.295   3.3460  ?   ?       ?      ? 
1 1 1  -23   32   17 o   6.1883   2.9588 -108.0202  100.315 -108.0202  100.315   0.0000   0.0000   6.1883   2.9588  ?   ?       ?      ? 
1 1 1  -23   33    1 o   17.715   1.3496  313.143   46.313  320.788   63.977  304.726   67.130   17.960   1.8351   17.470   1.9795 0.4897385 2.699220 
1 1 1  -23   33    2 o   25.514   0.9976  646.796   48.477  675.745   63.613  606.699   74.866   26.240   1.2489   24.788   1.5559 1.452026 1.995104 
1 1 1  -23   33    3 o   18.986   1.2741  355.886   46.793  318.284   63.784  399.710   68.859   17.898   1.8359   20.074   1.7671 -2.176268 2.548147 
1 1 1  -23   33    4 o   14.772   1.7012  234.294   44.791  338.046   63.383  130.802   63.304   18.462   1.7686   11.083   2.9065 7.378036 3.402322 
1 1 1  -23   33    5 o   32.209   0.8124  1012.04   50.665  958.501   68.754  1075.66   74.948   31.285   1.1321   33.133   1.1653 -1.848114 1.624711 
1 1 1  -23   33    6 o   29.993   0.7968  884.037   46.203  925.957   63.584  837.139   67.253   30.763   1.0648   29.222   1.1856 1.540689 1.593536 
1 1 1  -23   33    7 o   38.334   0.6989  1439.79   51.882  1525.00   72.528  1350.50   74.246   39.510   0.9457   37.158   1.0293 2.351345 1.397782 
1 1 1  -23   33    8 o   6.9874   1.9279   31.928   38.191   47.743   54.704   16.890   53.342   7.5427   2.8019   6.4322   2.6487 1.110493 3.855719 
1 1 1  -23   33    9 o   33.079   0.7265  1070.70   46.631  1027.85   65.530  1114.67   66.371   32.405   1.0418   33.753   1.0130 -1.348663 1.453047 
1 1 1  -23   33   10 o   7.0105   1.7809   23.126   36.489 -36.5232   50.813   86.632   52.431   4.9233   2.2733   9.0976   2.7420 -4.174246 3.561801 
1 1 1  -23   33   11 o   16.963   1.9429  297.357   47.099  307.468  111.783  295.174   51.934   16.665   3.5634   17.262   1.5498 -0.5978508 3.885890 
1 1 1  -23   33   12 o   8.3143   2.2810   43.289   41.517   91.135  101.378   33.647   45.509   9.9900   3.7922   6.6385   2.5358 3.351490 4.561946 
1 1 1  -23   33   13 o   11.826   2.0231  128.479   34.856  181.356   94.414  120.134   37.505   12.686   3.6425   10.966   1.7619 1.720661 4.046227 
1 1 1  -23   33   14 o   11.895   3.9387  159.375  105.927  159.375  105.927   0.0000   0.0000   11.895   3.9387  ?   ?       ?      ? 
1 1 1  -23   33   15 o   19.937   2.3708  409.836   91.750  409.836   91.750   0.0000   0.0000   19.937   2.3708  ?   ?       ?      ? 
1 1 1  -23   33   16 o   9.2893   3.8134   63.361  110.141   63.361  110.141   0.0000   0.0000   9.2893   3.8134  ?   ?       ?      ? 
1 1 1  -23   34    1 o   11.764   2.0655  148.481   46.909  145.873   64.712  151.369   68.098   11.666   2.8759   11.862   2.9655 -0.1957073 4.130939 
1 1 1  -23   34    2 o   18.112   1.3786  334.415   47.408  384.351   64.379  275.257   70.073   19.685   1.6848   16.538   2.1827 3.146393 2.757298 
1 1 1  -23   34    3 o   21.648   1.1512  464.629   48.300  477.670   67.083  450.593   69.598   21.978   1.5724   21.317   1.6819 0.6604366 2.302442 
1 1 1  -23   34    4 o   44.625   0.7091  1950.10   61.328  2002.88   85.076  1893.01   88.486   45.266   0.9682   43.984   1.0364 1.281746 1.418283 
1 1 1  -23   34    5 o   10.333   2.1118  113.953   44.746  120.218   60.314  106.283   66.734   10.617   2.8617   10.050   3.1063 0.5668764 4.223507 
1 1 1  -23   34    6 o   37.529   0.7333  1375.01   53.292  1333.82   72.442  1423.59   78.674   36.925   1.0107   38.132   1.0629 -1.206539 1.466670 
1 1 1  -23   34    7 o   37.714   0.7061  1377.28   51.341  1277.44   67.940  1510.18   78.391   36.146   0.9683   39.282   1.0280 -3.136665 1.412241 
1 1 1  -23   34    8 o   15.676   1.3425  246.660   40.637  267.771   56.539  224.100   58.448   16.401   1.7758   14.951   2.0138 1.450142 2.684973 
1 1 1  -23   34    9 o   6.7986   1.8678   14.194   39.955 -42.3407   56.563   70.497   56.447   5.1465   2.3841   8.4508   2.8760 -3.304375 3.735700 
1 1 1  -23   34   10 o   18.964   1.0470  360.481   37.926  392.030   50.868  320.992   56.911   19.949   1.3136   17.979   1.6306 1.969261 2.093922 
1 1 1  -23   34   11 o   13.723   2.1170  183.258   45.073  233.331  105.742  172.141   49.826   14.354   3.7528   13.092   1.9605 1.261706 4.234011 
1 1 1  -23   34   12 o   10.156   2.0679  116.468   36.933   55.385  103.417  125.398   39.540   9.1201   3.7139   11.192   1.8199 -2.072179 4.135852 
1 1 1  -23   34   13 o   8.2824   2.3455   40.524   59.250   82.724   84.266  -0.7404   83.327   9.3524   3.4769   7.2124   3.1492 2.139991 4.691096 
1 1 1  -23   34   14 o   18.838   3.0291  378.909  110.765  378.909  110.765   0.0000   0.0000   18.838   3.0291  ?   ?       ?      ? 
1 1 1  -23   34   15 o   10.488   3.6441  120.427   90.777  120.427   90.777   0.0000   0.0000   10.488   3.6441  ?   ?       ?      ? 
1 1 1  -23   35    1 o   15.963   1.5105  256.640   46.783  245.564   65.210  268.386   67.155   15.604   2.1528   16.323   2.1195 -0.7184267 3.021059 
1 1 1  -23   35    2 o   17.499   1.4508  317.133   47.404  396.668   65.374  228.941   68.840   19.982   1.6854   15.015   2.3618 4.967072 2.901503 
1 1 1  -23   35    3 o   13.264   1.8100  183.655   45.546  199.020   63.286  167.147   65.600   14.012   2.3267   12.516   2.7731 1.496132 3.619912 
1 1 1  -23   35    4 f   24.831   0.9804  600.815   46.709  564.557   60.848  652.830   72.880   23.951   1.3088   25.712   1.4602 -1.761066 1.960887 
1 1 1  -23   35    5 o   13.928   1.6292  199.645   42.868  207.877   58.781  190.293   62.653   14.376   2.1064   13.480   2.4859 0.8954535 3.258324 
1 1 1  -23   35    6 o   25.728   0.9244  653.618   45.958  678.194   62.846  625.367   67.380   26.269   1.2324   25.186   1.3782 1.082994 1.848861 
1 1 1  -23   35    7 o   13.180   1.6490  178.453   40.910  145.432   56.206  215.656   59.659   11.722   2.5431   14.637   2.0997 -2.914312 3.297960 
1 1 1  -23   35    8 o   43.159   0.6741  1820.92   56.365  1804.13   77.181  1840.09   82.511   42.956   0.9256   43.362   0.9802 -0.4066620 1.348194 
1 1 1  -23   35    9 o   33.344   0.7208  1088.81   46.649  1061.51   65.431  1117.02   66.525   32.918   1.0240   33.771   1.0148 -0.8525200 1.441639 
1 1 1  -23   35   10 o   24.583   0.8265  590.440   39.319  549.365   53.132  640.169   58.461   23.646   1.1575   25.520   1.1801 -1.873398 1.653043 
1 1 1  -23   35   11 f   13.957   2.0054  191.823   41.946  233.466  100.452  183.029   46.163   14.380   3.6054   13.534   1.7572 0.8460026 4.010774 
1 1 1  -23   35   12 o   9.0382   2.6909   40.917   80.261   49.339  107.791   30.438  120.240   9.0595   3.7512   9.0170   3.8590 0.4252243E-01 5.381721 
1 1 1  -23   35   13 o   9.8953   2.6285   94.851   68.822  111.090   96.207   77.832   98.490   10.332   3.7357   9.4589   3.6988 0.8727341 5.257072 
1 1 1  -23   35   14 o   12.736   3.9719  191.878  108.834  191.878  108.834   0.0000   0.0000   12.736   3.9719  ?   ?       ?      ? 
1 1 1  -23   35   15 o   10.439   3.8241  116.318  101.289  116.318  101.289   0.0000   0.0000   10.439   3.8241  ?   ?       ?      ? 
1 1 1  -23   36    1 o   10.341   2.1770  113.863   46.999   98.441   63.809  132.152   69.486   9.6574   3.0459   11.025   3.1112 -1.367787 4.353938 
1 1 1  -23   36    2 o   15.942   1.5419  259.923   47.054  298.505   65.310  218.278   67.852   17.250   1.9504   14.633   2.3887 2.617330 3.083795 
1 1 1  -23   36    3 o   18.863   1.2844  355.675   46.966  374.832   66.189  336.248   66.654   19.392   1.7583   18.335   1.8728 1.057499 2.568874 
1 1 1  -23   36    4 o   9.2665   2.1730   88.468   45.636   96.847   60.093   77.051   70.144   9.5761   2.9456   8.9570   3.1955 0.6190948 4.346026 
1 1 1  -23   36    5 o   8.6626   1.8629   65.451   42.411  140.479   57.534 -23.8378   62.764   11.479   2.6374   5.8461   2.6317 5.632879 3.725852 
1 1 1  -23   36    6 o   31.886   0.8049  998.671   49.765  1011.73   69.039  984.548   71.798   32.113   1.1075   31.660   1.1683 0.4533882 1.609785 
1 1 1  -23   36    7 o   22.386   0.9873  495.674   42.831  515.463   59.702  474.688   61.481   22.861   1.3453   21.911   1.4455 0.9497356 1.974648 
1 1 1  -23   36    8 o   37.749   0.6804  1393.66   49.825  1367.06   68.955  1422.71   72.075   37.376   0.9504   38.121   0.9740 -0.7452316 1.360845 
1 1 1  -23   36    9 o   13.081   1.6032  176.809   38.808  121.155   52.912  241.603   57.092   10.644   2.5863   15.518   1.8953 -4.873976 3.206427 
1 1 1  -23   36   10 o   18.405   0.9716  331.893   34.205  260.161   46.225  418.708   50.853   16.202   1.4697   20.608   1.2712 -4.406034 1.943193 
1 1 1  -23   36   11 o   27.713   1.4849  758.080   78.358  677.112   99.715  888.800  126.700   25.895   1.9837   29.531   2.2102 -3.635101 2.969864 
1 1 1  -23   36   12 o   24.098   1.8409  605.182   85.524  604.181  114.618  606.440  128.461   24.175   2.4425   24.020   2.7550 0.1540737 3.681819 
1 1 1  -23   36   13 o   12.810   3.5142  188.780   90.018  188.780   90.018   0.0000   0.0000   12.810   3.5142  ?   ?       ?      ? 
1 1 1  -23   36   14 o   6.7475   3.1767 -83.1649  107.255 -83.1649  107.255   0.0000   0.0000   6.7475   3.1767  ?   ?       ?      ? 
1 1 1  -23   37    1 o   9.7347   2.1691  101.163   47.464  129.524   63.347   64.860   71.670   10.921   2.9281   8.5484   3.2009 2.372598 4.338164 
1 1 1  -23   37    2 o   9.6743   2.1995   98.520   46.508   98.237   60.987   98.912   71.896   9.6142   2.9691   9.7343   3.2460 -0.1201143 4.399087 
1 1 1  -23   37    3 o   13.089   1.8694  186.187   46.626  261.033   65.544  109.509   66.341   16.075   2.1005   10.102   3.0929 5.972205 3.738716 
1 1 1  -23   37    4 o   9.4971   2.0673   95.660   44.140  129.332   59.098   53.178   66.381   10.956   2.7755   8.0377   3.0644 2.918773 4.134512 
1 1 1  -23   37    5 o   12.836   1.7496  173.938   42.378  201.402   58.673  143.983   61.274   14.109   2.1423   11.564   2.7667 2.544660 3.499157 
1 1 1  -23   37    6 o   16.790   1.2935  282.160   42.154  277.504   59.605  286.819   59.625   16.647   1.8445   16.932   1.8140 -0.2856274 2.587081 
1 1 1  -23   37    7 o   21.306   1.0554  450.369   43.594  425.590   61.818  474.882   61.485   20.709   1.5378   21.903   1.4461 -1.194220 2.110871 
1 1 1  -23   37    8 o   22.890   0.9258  515.426   41.074  482.408   56.375  552.784   59.966   22.109   1.3135   23.670   1.3051 -1.560339 1.851679 
1 1 1  -23   37    9 o   36.815   1.0686  1439.07   62.441  1178.48  127.624  1521.07   71.595   34.216   1.9215   39.414   0.9358 -5.198097 2.137217 
1 1 1  -23   37   10 o   15.936   2.0880  249.472   44.435  309.266  120.647  240.089   47.795   16.348   3.8631   15.524   1.5860 0.8235626 4.176014 
1 1 1  -23   37   11 o   20.431   1.9059  447.064   73.579  361.876  108.746  518.992   99.925   18.384   3.0473   22.478   2.2901 -4.094419 3.811880 
1 1 1  -23   37   12 o   15.197   2.4099  266.204   80.659   73.178  114.049  459.366  114.089   9.6023   3.9041   20.793   2.8266 -11.19041 4.819893 
1 1 1  -23   37   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   38    1 o   27.134   1.1259  737.206   58.946  668.763   85.159  800.162   81.674   25.873   1.6956   28.396   1.4817 -2.523647 2.251773 
1 1 1  -23   38    2 o   6.1043   1.9006  -9.5500   43.975   3.4323   59.901 -24.7249   64.762   6.3068   2.7121   5.9018   2.6635 0.4049325 3.801251 
1 1 1  -23   38    3 o   14.505   1.8454  230.739   49.049  291.582   66.653  158.870   72.441   16.993   2.0206   12.017   3.0885 4.975324 3.690783 
1 1 1  -23   38    4 o   22.520   1.1031  502.681   48.082  487.168   65.157  521.231   71.248   22.155   1.5151   22.886   1.6038 -0.7309780 2.206240 
1 1 1  -23   38    5 f   24.759   0.9823  606.432   47.198  590.232   66.769  622.612   66.728   24.422   1.4084   25.096   1.3698 -0.6740227 1.964665 
1 1 1  -23   38    6 o   8.3337   2.0363   64.676   41.576   34.170   57.619   97.810   60.050   7.1018   2.8130   9.5655   2.9449 -2.463631 4.072514 
1 1 1  -23   38    7 o   41.970   0.6814  1723.16   55.439  1774.13   80.965  1678.17   76.069   42.546   0.9803   41.393   0.9467 1.153175 1.362825 
1 1 1  -23   38    8 o   14.324   1.4003  206.863   38.888  194.019   53.657  221.075   56.442   13.853   1.9954   14.796   1.9652 -0.9432611 2.800616 
1 1 1  -23   38    9 o   8.2055   2.2044   59.944   43.786   29.281   96.882   67.815   49.085   8.2778   3.5003   8.1332   2.6806 0.1446199 4.408793 
1 1 1  -23   38   10 o   14.720   4.3286  264.754  131.917   0.0000   0.0000  264.754  131.917  ?   ?    14.720   4.3286      ?      ? 
1 1 1  -23   38   11 o   23.836   2.8505  605.253  131.891   0.0000   0.0000  605.253  131.891  ?   ?    23.836   2.8505      ?      ? 
1 1 1  -23   38   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   39    1 o   24.369   1.2803  592.454   59.777  568.047   77.833  627.552   93.338   23.820   1.6832   24.918   1.9297 -1.097485 2.560642 
1 1 1  -23   39    2 o   23.180   1.3481  537.778   60.207  454.228   81.658  637.302   89.123   21.185   1.9857   25.174   1.8238 -3.989527 2.696111 
1 1 1  -23   39    3 o   21.842   1.4099  478.363   59.500  426.355   80.041  542.601   88.955   20.520   2.0094   23.164   1.9783 -2.643755 2.819818 
1 1 1  -23   39    4 o   14.263   1.8316  211.204   48.933  281.485   73.801  156.066   65.369   16.571   2.2942   11.955   2.8559 4.616002 3.663280 
1 1 1  -23   39    5 o   8.7157   2.1608   75.277   45.110   85.173   66.695   66.932   61.243   9.1014   3.1257   8.3299   2.9844 0.7715111 4.321674 
1 1 1  -23   39    6 o   7.2466   2.0879   29.612   46.020   37.974   69.118   22.953   61.681   7.5998   3.0571   6.8933   2.8446 0.7065606 4.175816 
1 1 1  -23   39    7 o   11.121   2.0088  132.778   42.672  149.116   68.794  122.560   54.402   11.607   3.0232   10.634   2.6460 0.9727087 4.017616 
1 1 1  -23   39    8 o   27.113   1.3028  727.328   68.565   0.0000   0.0000  727.328   68.565  ?   ?    27.113   1.3028      ?      ? 
1 1 1  -23   39    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   39   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   40    1 o   8.7411   2.3095   62.949   56.118  115.899   79.494   10.344   79.234   10.260   3.4128   7.2221   3.1124 3.037992 4.618905 
1 1 1  -23   40    2 o   24.760   1.2870  617.988   61.833  602.858   86.035  634.152   88.927   24.451   1.8127   25.070   1.8273 -0.6189327 2.573916 
1 1 1  -23   40    3 o   13.492   2.1983  200.918   56.777  156.477   77.103  253.563   83.918   11.774   3.2614   15.211   2.9485 -3.436869 4.396689 
1 1 1  -23   40    4 o   37.011   0.9635  1360.16   68.968  1382.11   94.098  1334.68  101.378   37.370   1.2971   36.651   1.4249 0.7197075 1.926925 
1 1 1  -23   40    5 o   30.618   0.9907  930.305   58.864  905.314   82.160  956.661   84.376   30.195   1.4017   31.040   1.4003 -0.8451824 1.981342 
1 1 1  -23   40    6 o   18.043   1.4679  337.678   50.316  269.871   72.744  399.877   69.671   16.168   2.3178   19.918   1.8019 -3.749979 2.935836 
1 1 1  -23   40    7 o   8.4711   2.9593   72.608   59.906   0.0000   0.0000   72.608   59.906  ?   ?    8.4711   2.9593      ?      ? 
1 1 1  -23   40    8 o   26.400   1.3352  691.133   68.426   0.0000   0.0000  691.133   68.426  ?   ?    26.400   1.3352      ?      ? 
1 1 1  -23   40    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   41    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -23   41    3 o   27.064   1.1642  735.208   61.092  753.976   85.129  715.280   87.723   27.446   1.5978   26.683   1.6936 0.7634697 2.328418 
1 1 1  -23   41    4 o   33.146   1.0386  1098.03   66.563  1148.08   91.605  1042.04   96.884   33.994   1.3882   32.298   1.5453 1.696842 2.077270 
1 1 1  -23   41    5 o   7.7053   2.1289   22.399   52.086 -50.9165   72.710   99.681   74.650   5.7644   2.6816   9.6461   3.3072 -3.881706 4.257792 
1 1 1  -23   41    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22    0    1 o   4.6598   2.2691 -70.7303   67.788 -96.2508  103.321 -51.4426   89.822   4.6100   3.2114   4.7095   3.2064 -0.000000 0.000000 
1 1 1  -22    0    2 o   34.188   1.1745  1134.25   77.134  1297.71  114.962  1000.41  104.024   36.429   1.6332   31.946   1.6882 -0.000000 0.000000 
1 1 1  -22    0    3 o  143.023   1.6087 19928.29  446.335 20122.38  629.436 19732.00  633.004  143.728   2.2573  142.318   2.2926 -0.000000 0.000000 
1 1 1  -22    0    4 o   11.865   2.8073  181.672   66.919   89.135   94.447  274.962   94.830   8.0123   4.3379   15.718   3.5646 -0.000000 0.000000 
1 1 1  -22    0    5 o   54.323   0.9771  2866.83  102.772  2716.22  141.728  3033.84  149.245   52.818   1.3845   55.828   1.3791 -0.000000 0.000000 
1 1 1  -22    0    6 o   29.527   1.3008  861.005   73.394  968.820  103.829  753.335  103.759   31.429   1.7135   27.624   1.9575 -0.000000 0.000000 
1 1 1  -22    0    7 f   19.416   8.9523 -143.8484  882.608  612.442  1150.04 -1227.6290  1376.70   22.592   13.805   16.240   11.402 -0.000000 0.000000 
1 1 1  -22    0    8 o   49.334   0.9746  2371.04   93.148  2402.72  130.807  2338.45  132.675   49.671   1.3589   48.996   1.3975 -0.000000 0.000000 
1 1 1  -22    0    9 o   32.421   1.1499  1031.39   71.811  1071.40   99.888  988.589  103.310   33.089   1.5631   31.753   1.6869 -0.000000 0.000000 
1 1 1  -22    0   10 o   56.551   0.9478  3100.68  103.666  2941.05  140.820  3289.52  153.168   54.968   1.3215   58.134   1.3590 -0.000000 0.000000 
1 1 1  -22    0   11 o  154.919   1.7485 23422.79  525.224 23819.43  734.396 23007.50  751.454  156.279   2.4221  153.559   2.5225 -0.000000 0.000000 
1 1 1  -22    0   12 o   82.854   1.1123  6679.68  178.700  6899.68  255.713  6469.69  249.828   84.189   1.5659   81.518   1.5801 -0.000000 0.000000 
1 1 1  -22    0   13 o   5.2518   2.4423 -15.3090   63.105 -17.9839   90.792 -12.8090   87.773   5.2541   3.4649   5.2496   3.4428 -0.000000 0.000000 
1 1 1  -22    0   14 o   77.718   1.0504  5881.59  158.325  5828.15  222.436  5936.47  225.404   77.360   1.4825   78.075   1.4885 -0.000000 0.000000 
1 1 1  -22    0   15 o   8.9936   4.2543  117.122   84.153  117.122   84.153   0.0000   0.0000   8.9936   4.2543   8.9936   4.2543 -0.000000 0.000000 
1 1 1  -22    0   16 o   10.675   4.1398  153.379   81.613  153.379   81.613   0.0000   0.0000   10.675   4.1398   10.675   4.1398 -0.000000 0.000000 
1 1 1  -22    0   17 o   20.386   2.2004  420.041   84.508  420.041   84.508   0.0000   0.0000   20.386   2.2004   20.386   2.2004 -0.000000 0.000000 
1 1 1  -22    0   18 o   5.0987   3.3181  -4.7801   79.243  -4.7801   79.243   0.0000   0.0000   5.0987   3.3181   5.0987   3.3181 -0.000000 0.000000 
1 1 1  -22    0   19 o   42.883   1.3006  1795.88  108.041  1795.88  108.041   0.0000   0.0000   42.883   1.3006   42.883   1.3006 -0.000000 0.000000 
1 1 1  -22    0   20 o   5.1492   3.3511  -3.4676   80.843  -3.4676   80.843   0.0000   0.0000   5.1492   3.3511   5.1492   3.3511 -0.000000 0.000000 
1 1 1  -22    0   21 o   5.8916   3.6673   26.214   84.812   26.214   84.812   0.0000   0.0000   5.8916   3.6673   5.8916   3.6673 -0.000000 0.000000 
1 1 1  -22    0   22 o   8.8924   4.2392  118.367   83.725  118.367   83.725   0.0000   0.0000   8.8924   4.2392   8.8924   4.2392 -0.000000 0.000000 
1 1 1  -22    0   23 o   4.7772   3.2433 -41.6833   90.585 -41.6833   90.585   0.0000   0.0000   4.7772   3.2433   4.7772   3.2433 -0.000000 0.000000 
1 1 1  -22    0   24 o   10.806   4.5064  169.731   94.489  169.731   94.489   0.0000   0.0000   10.806   4.5064   10.806   4.5064 -0.000000 0.000000 
1 1 1  -22    0   25 o   5.8222   3.7476   12.282   97.396   12.282   97.396   0.0000   0.0000   5.8222   3.7476   5.8222   3.7476 -0.000000 0.000000 
1 1 1  -22    0   26 o   33.022   1.7914  1087.92  114.062  1087.92  114.062   0.0000   0.0000   33.022   1.7914   33.022   1.7914 -0.000000 0.000000 
1 1 1  -22    1    1 o   59.791   0.7090  3472.77   82.272  3524.02  117.886  3424.10  114.873   60.221   1.0084   59.362   0.9969 0.8590965 1.418009 
1 1 1  -22    1    2 o   21.951   1.1737  470.178   49.878  505.163   70.148  434.405   70.935   22.781   1.5863   21.120   1.7302 1.661356 2.347302 
1 1 1  -22    1    3 o   13.719   1.9705  190.785   50.685  175.792   71.012  206.354   72.365   13.147   2.8636   14.291   2.7076 -1.144245 3.940973 
1 1 1  -22    1    4 o   27.696   0.9056  745.877   48.686  737.568   68.701  754.259   69.004   27.541   1.2850   27.851   1.2763 -0.3102303 1.811178 
1 1 1  -22    1    5 o   67.642   0.7184  4445.81   94.311  4340.88  132.837  4552.46  133.922   66.837   1.0239   68.447   1.0079 -1.610802 1.436736 
1 1 1  -22    1    6 o   54.857   0.8391  2966.59   84.353  2798.01  143.444  3055.71  104.292   53.634   1.3778   56.080   0.9580 -2.446663 1.678116 
1 1 1  -22    1    7 o   48.936   0.8254  2280.04   74.768  2176.39   91.767  2484.72  128.952   47.326   0.9989   50.546   1.3142 -3.219894 1.650779 
1 1 1  -22    1    8 o   25.268   0.9847  620.898   48.289  633.130   69.165  609.265   67.449   25.510   1.3967   25.025   1.3885 0.4850807 1.969408 
1 1 1  -22    1    9 o   63.184   0.6993  3879.64   85.772  3907.50  121.223  3851.72  121.377   63.411   0.9848   62.957   0.9932 0.4548683 1.398668 
1 1 1  -22    1   10 o   63.033   0.6901  3861.15   84.434  3854.54  120.056  3867.61  118.770   62.979   0.9820   63.086   0.9699 -0.1076164 1.380217 
1 1 1  -22    1   11 o   24.042   1.0445  562.001   48.702  596.500   70.184  529.963   67.636   24.753   1.4606   23.331   1.4934 1.422970 2.088966 
1 1 1  -22    1   12 o   34.753   0.7709  1173.16   51.930  1197.48   75.796  1151.65   71.291   35.091   1.1127   34.415   1.0671 0.6753960 1.541722 
1 1 1  -22    1   13 o   27.840   0.8750  753.679   47.264  721.422   65.793  788.078   67.942   27.225   1.2449   28.456   1.2300 -1.230902 1.750082 
1 1 1  -22    1   14 o   35.798   0.6924  1245.93   48.093  1235.73   66.827  1256.89   69.266   35.647   0.9658   35.949   0.9926 -0.3019714 1.384885 
1 1 1  -22    1   15 o   48.675   0.9315  2299.68   87.840  2467.60  129.118  2155.01  119.848   50.322   1.3218   47.028   1.3128 3.293911 1.862986 
1 1 1  -22    1   16 o   28.955   1.1168  819.081   62.735  817.407   90.187  820.651   87.325   28.923   1.6063   28.987   1.5519 -0.6378555E-01 2.233547 
1 1 1  -22    1   17 o   10.370   2.4335   99.434   58.365  138.529   85.449   65.242   79.911   11.654   3.4977   9.0868   3.3843 2.567060 4.867033 
1 1 1  -22    1   18 o   24.786   1.2758  603.101   61.330  594.282   88.152  611.374   85.381   24.604   1.8457   24.968   1.7617 -0.3639317 2.551509 
1 1 1  -22    1   19 o   25.317   1.2766  631.423   62.181  527.585   86.604  741.912   89.334   23.141   1.9279   27.492   1.6740 -4.351004 2.553231 
1 1 1  -22    1   20 o   33.527   1.0629  1106.61   68.906  1000.08   97.809  1211.58   97.091   31.900   1.5795   35.153   1.4228 -3.252575 2.125842 
1 1 1  -22    1   21 o   25.384   1.3755  639.188   67.740  669.960   97.166  610.089   94.487   25.983   1.9264   24.784   1.9639 1.198843 2.751044 
1 1 1  -22    1   22 o   18.282   1.9290  349.397   64.808  259.687   91.718  438.851   91.587   15.637   3.1308   20.927   2.2546 -5.289485 3.858087 
1 1 1  -22    1   23 o   12.189   2.5394  160.391   65.057  124.059   89.745  200.626   94.443   10.884   3.6264   13.493   3.5557 -2.608969 5.078801 
1 1 1  -22    1   24 o   8.4360   2.4654   35.092   66.120   13.934   92.821   56.887   94.209   7.9218   3.3904   8.9502   3.5801 -1.028361 4.930719 
1 1 1  -22    1   25 o   12.660   2.5304  179.393   66.248  133.568   91.386  230.148   96.176   11.035   3.6586   14.285   3.4966 -3.250110 5.060785 
1 1 1  -22    1   26 o   16.690   2.3123  316.741   72.864  195.534  102.337  441.367  103.770   12.879   3.8193   20.500   2.6076 -7.621260 4.624588 
1 1 1  -22    2    1 o   65.338   0.7110  4148.53   90.134  4154.72  125.573  4141.96  129.453   65.389   0.9893   65.286   1.0215 0.1029282 1.422002 
1 1 1  -22    2    2 o   49.539   0.6957  2384.53   66.900  2383.46   94.496  2385.61   94.726   49.528   0.9829   49.550   0.9848 -0.2220154E-01 1.391376 
1 1 1  -22    2    3 o   76.344   0.7544  5664.41  111.790  5685.21  157.689  5643.39  158.505   76.486   1.0621   76.203   1.0715 0.2826767 1.508710 
1 1 1  -22    2    4 o   82.915   0.7874  6682.08  126.725  6665.23  179.625  6698.78  178.809   82.810   1.1174   83.019   1.1095 -0.2089996 1.574713 
1 1 1  -22    2    5 o   46.987   0.7009  2144.24   63.907  2179.60   91.954  2111.20   88.881   47.361   1.0002   46.613   0.9823 0.7481079 1.401865 
1 1 1  -22    2    6 o  116.063   0.9816 13102.99  221.150 13142.84  313.739 13063.64  311.776  116.238   1.3904  115.888   1.3859 0.3499146 1.963196 
1 1 1  -22    2    7 o   57.857   0.6872  3253.13   77.157  3153.89  109.018  3352.72  109.215   56.972   0.9858   58.742   0.9578 -1.770245 1.374442 
1 1 1  -22    2    8 o   30.413   0.8627  898.691   50.908  920.657   73.354  878.281   70.709   30.771   1.2281   30.055   1.2120 0.7157822 1.725423 
1 1 1  -22    2    9 o   45.859   0.7076  2043.90   62.979  2050.57   88.417  2037.03   89.728   45.936   0.9916   45.783   1.0096 0.1529388 1.415112 
1 1 1  -22    2   10 o   55.840   0.6744  3029.82   73.099  3014.87  102.642  3045.21  104.129   55.701   0.9493   55.979   0.9582 -0.2788773 1.348848 
1 1 1  -22    2   11 o   85.538   0.7998  7113.87  132.790  7073.10  186.601  7155.70  189.009   85.290   1.1271   85.785   1.1350 -0.4954910 1.599552 
1 1 1  -22    2   12 o   61.210   0.6813  3639.24   80.914  3728.48  116.562  3556.24  112.410   61.933   0.9695   60.487   0.9574 1.446323 1.362553 
1 1 1  -22    2   13 o   52.689   0.6649  2699.40   67.987  2636.23   96.282  2762.21   96.013   52.073   0.9525   53.305   0.9279 -1.231998 1.329759 
1 1 1  -22    2   14 o   48.111   0.7986  2261.16   70.649  2225.48  120.682  2279.76   87.142   47.800   1.3006   48.422   0.9271 -0.6211815 1.597208 
1 1 1  -22    2   15 o   48.140   0.9184  2258.58   85.762  2155.89  120.930  2362.48  121.645   47.035   1.3245   49.245   1.2725 -2.209637 1.836730 
1 1 1  -22    2   16 o   50.526   0.9060  2487.99   88.846  2510.92  126.999  2466.02  124.337   50.752   1.2891   50.299   1.2734 0.4532242 1.812000 
1 1 1  -22    2   17 o   36.104   0.9746  1270.50   68.142  1397.03   98.338  1153.63   94.512   37.836   1.3389   34.372   1.4165 3.464611 1.949132 
1 1 1  -22    2   18 o   26.558   1.2102  692.673   62.166  763.197   88.208  623.075   87.627   27.917   1.6277   25.200   1.7913 2.716192 2.420370 
1 1 1  -22    2   19 o   36.188   0.9846  1281.54   69.122  1265.63   99.090  1296.62   96.468   35.963   1.4194   36.412   1.3648 -0.4488678 1.969117 
1 1 1  -22    2   20 o   7.8700   2.2747   20.317   57.287 -23.5706   82.871   60.485   79.281   6.9168   3.0752   8.8232   3.3526 -1.906319 4.549319 
1 1 1  -22    2   21 o   7.1820   2.2388 -15.4014   60.883 -20.7976   86.290 -10.0520   85.914   7.0850   3.1445   7.2790   3.1875 -0.1939931 4.477513 
1 1 1  -22    2   22 o   22.086   1.5051  488.722   62.753  351.983   86.169  643.144   91.571   18.709   2.3727   25.463   1.8526 -6.754290 3.010252 
1 1 1  -22    2   23 o   10.112   2.5717   98.664   64.475   87.922   90.378  109.797   92.008   9.7681   3.6068   10.456   3.6667 -0.6874924 5.143332 
1 1 1  -22    2   24 o   21.374   1.6708  463.691   68.804  544.529  100.331  391.921   94.536   23.182   2.2295   19.566   2.4890 3.616110 3.341527 
1 1 1  -22    2   25 o   15.351   2.3521  261.760   68.289  214.240   94.892  312.808   98.350   13.757   3.5345   16.945   3.1045 -3.187532 4.704293 
1 1 1  -22    2   26 o   20.188   1.8747  429.966   73.199  391.987  103.722  467.649  103.318   19.219   2.7802   21.156   2.5158 -1.937380 3.749462 
1 1 1  -22    3    1 o   43.142   0.7307  1807.44   61.147  1778.82   84.507  1838.90   88.587   42.784   1.0175   43.499   1.0491 -0.7148666 1.461498 
1 1 1  -22    3    2 f   99.091   0.8891  9548.66  170.994  9458.40  243.186  9636.92  240.480   98.626   1.2702   99.556   1.2444 -0.9300613 1.778181 
1 1 1  -22    3    3 o   10.452   1.9988  100.302   47.993  190.186   68.776   14.994   67.003   13.711   2.6802   7.1926   2.9660 6.518224 3.997575 
1 1 1  -22    3    4 o   47.089   0.6968  2154.51   63.690  2151.08   90.306  2157.91   89.838   47.051   0.9887   47.126   0.9820 -0.7493591E-01 1.393564 
1 1 1  -22    3    5 o   43.905   0.7233  1874.74   61.563  1838.77   88.842  1907.98   85.387   43.498   1.0522   44.313   0.9927 -0.8140907 1.446513 
1 1 1  -22    3    6 o   26.678   0.9663  693.347   49.964  665.724   71.746  719.357   69.620   26.160   1.4129   27.197   1.3187 -1.037357 1.932669 
1 1 1  -22    3    7 o   49.303   0.6789  2362.27   64.962  2315.69   92.057  2408.48   91.685   48.818   0.9714   49.788   0.9487 -0.9697762 1.357800 
1 1 1  -22    3    8 o   54.414   0.6819  2877.47   72.016  2841.28  102.316  2912.99  101.382   54.074   0.9747   54.753   0.9539 -0.6794357 1.363808 
1 1 1  -22    3    9 o   71.189   0.7233  4925.23   99.951  5007.56  141.742  4843.81  140.965   71.781   1.0172   70.597   1.0286 1.184410 1.446675 
1 1 1  -22    3   10 o   43.572   0.6888  1845.22   58.246  1879.22   82.278  1811.06   82.467   43.975   0.9639   43.169   0.9841 0.8060226 1.377500 
1 1 1  -22    3   11 o   40.515   0.7134  1584.16   55.902  1764.59   83.096  1434.98   75.556   42.608   1.0047   38.423   1.0130 4.185509 1.426733 
1 1 1  -22    3   12 o   9.6679   2.1208   90.463   44.723  114.750   63.401   66.408   63.097   10.643   2.9608   8.6934   3.0371 1.949171 4.241535 
1 1 1  -22    3   13 o   40.647   0.6854  1604.78   54.053  1673.24   77.815  1540.94   75.140   41.484   0.9663   39.810   0.9723 1.674236 1.370816 
1 1 1  -22    3   14 o   7.1843   2.1530   6.8571   49.310  -1.3762   87.090   10.742   59.822   7.6695   3.2833   6.6990   2.7859 0.9704905 4.305929 
1 1 1  -22    3   15 o   7.3561   2.2330  -5.7086   58.098 -38.7154   87.371   20.455   77.788   6.9371   3.1155   7.7751   3.1998 -0.8379831 4.466011 
1 1 1  -22    3   16 o   33.546   1.0333  1098.48   67.278  1122.39   95.307  1074.73   94.983   33.912   1.4478   33.181   1.4747 0.7311859 2.066579 
1 1 1  -22    3   17 o   25.135   1.2849  621.690   62.439  583.805   90.619  655.934   86.154   24.390   1.9140   25.881   1.7149 -1.490984 2.569883 
1 1 1  -22    3   18 o   18.378   1.6703  334.033   59.396  333.996   87.539  334.065   80.856   18.363   2.4558   18.392   2.2647 -0.2964020E-01 3.340655 
1 1 1  -22    3   19 f   26.455   1.2235  686.095   62.698  711.030   92.305  664.735   85.431   26.894   1.7681   26.017   1.6916 0.8762283 2.446954 
1 1 1  -22    3   20 o   20.226   1.5632  402.672   60.905  479.755   90.922  339.932   82.028   21.981   2.1309   18.471   2.2877 3.510067 3.126383 
1 1 1  -22    3   21 o   26.631   1.2954  702.880   66.657  619.144   93.163  790.706   95.411   24.978   1.9214   28.283   1.7378 -3.305882 2.590729 
1 1 1  -22    3   22 o   10.101   2.4439   97.212   60.326   49.240   87.043  141.551   83.683   8.6748   3.4506   11.526   3.4618 -2.851695 4.887846 
1 1 1  -22    3   23 o   30.584   1.2025  928.017   71.325  930.118  103.162  926.093   98.722   30.603   1.7366   30.565   1.6639 0.3782463E-01 2.405028 
1 1 1  -22    3   24 o   13.793   2.4469  213.166   66.387  165.568   95.235  258.158   92.591   12.195   3.7000   15.392   3.2031 -3.197434 4.893848 
1 1 1  -22    3   25 o   15.146   2.4142  255.517   69.088  274.601  102.600  239.685   93.450   15.643   3.4697   14.650   3.3579 0.9923849 4.828476 
1 1 1  -22    3   26 o   9.2717   2.3879   50.184   67.768  169.923   94.464 -76.7885   97.275   12.092   3.6886   6.4519   3.0337 5.639697 4.775897 
1 1 1  -22    4    1 o   72.758   0.7399  5144.21  104.481  5121.36  146.325  5167.98  149.234   72.594   1.0384   72.922   1.0543 -0.3282013 1.479752 
1 1 1  -22    4    2 o   37.834   0.7722  1390.51   56.695  1433.29   81.149  1349.72   79.242   38.402   1.0886   37.265   1.0954 1.136719 1.544352 
1 1 1  -22    4    3 o   21.492   1.2227  452.038   50.574  382.352   71.246  522.815   71.802   19.809   1.8528   23.175   1.5960 -3.366209 2.445444 
1 1 1  -22    4    4 o   85.785   0.7983  7152.49  132.926  7206.20  188.944  7099.85  187.043   86.103   1.1304   85.466   1.1274 0.6374054 1.596545 
1 1 1  -22    4    5 o   55.381   0.6830  2979.07   73.413  3042.78  104.863  2917.83  102.810   55.961   0.9653   54.800   0.9665 1.161068 1.365980 
1 1 1  -22    4    6 o  101.584   0.8920 10034.13  175.891 10000.74  248.067 10067.90  249.434  101.414   1.2601  101.754   1.2628 -0.3395844 1.783973 
1 1 1  -22    4    7 o   24.911   1.0169  605.348   49.036  561.769   70.024  647.283   68.690   24.026   1.5014   25.795   1.3718 -1.769588 2.033715 
1 1 1  -22    4    8 o   57.860   0.6911  3253.18   77.618  3250.43  110.288  3255.87  109.256   57.836   0.9824   57.885   0.9723 -0.4907227E-01 1.382196 
1 1 1  -22    4    9 o  118.495   1.0048 13660.37  231.069 13798.52  330.733 13528.62  322.967  119.078   1.4308  117.912   1.4110 1.166084 2.009524 
1 1 1  -22    4   10 o   65.068   0.9496  4117.31  119.834  4161.81  173.591  4076.80  165.631   65.401   1.3673   64.735   1.3181 0.6657028 1.899197 
1 1 1  -22    4   11 o   51.585   0.6651  2586.17   66.595  2558.31   94.249  2613.95   94.110   51.307   0.9463   51.863   0.9348 -0.5557785 1.330160 
1 1 1  -22    4   12 o   32.542   0.7810  1029.85   49.338  1027.90   69.703  1031.82   69.845   32.511   1.1045   32.573   1.1046 -0.6198502E-01 1.562084 
1 1 1  -22    4   13 o   50.965   0.6653  2525.23   65.787  2425.08   92.562  2627.47   93.519   49.943   0.9548   51.988   0.9267 -2.044792 1.330534 
1 1 1  -22    4   14 o   37.539   0.8592  1396.31   59.718  1287.41   98.724  1459.14   74.995   36.345   1.3993   38.733   0.9974 -2.387386 1.718404 
1 1 1  -22    4   15 o   37.433   0.9827  1368.21   71.267  1274.02  101.052  1461.42  100.523   36.143   1.4403   38.723   1.3373 -2.579895 1.965433 
1 1 1  -22    4   16 o   34.803   0.9967  1173.11   66.937  1259.40  101.545  1106.80   89.015   35.920   1.4563   33.686   1.3613 2.234413 1.993494 
1 1 1  -22    4   17 o   56.009   0.9237  3057.89  100.336  3122.76  145.537  2999.12  138.516   56.570   1.3253   55.447   1.2869 1.122650 1.847344 
1 1 1  -22    4   18 o   23.479   1.3680  539.868   61.669  555.585   95.024  528.431   81.059   23.753   2.0609   23.204   1.7995 0.5480270 2.736001 
1 1 1  -22    4   19 o   8.0384   2.3359   22.816   58.826   46.820   86.537   2.1950   80.207   8.7102   3.4482   7.3666   3.1522 1.343636 4.671844 
1 1 1  -22    4   20 o   23.850   1.3383  559.573   61.687  589.167   92.517  535.886   82.771   24.401   1.9532   23.299   1.8301 1.102209 2.676671 
1 1 1  -22    4   21 o   28.495   1.2002  804.686   65.918  776.773   98.249  827.537   88.895   28.011   1.8069   28.979   1.5803 -0.9677124 2.400455 
1 1 1  -22    4   22 o   17.954   1.8163  326.284   63.294  321.823   89.631  330.721   89.393   17.825   2.5903   18.083   2.5467 -0.2573776 3.632520 
1 1 1  -22    4   23 o   19.515   1.7713  387.467   66.998  416.851   95.906  359.459   93.634   20.262   2.4384   18.769   2.5699 1.492258 3.542634 
1 1 1  -22    4   24 o   25.625   1.4245  660.552   70.817  687.221  100.310  634.052   99.991   26.158   1.9755   25.092   2.0529 1.065926 2.848993 
1 1 1  -22    4   25 o   9.9846   2.6097   95.318   69.094   51.436  101.084  133.799   94.660   8.9195   3.6565   11.050   3.7245 -2.130112 5.219367 
1 1 1  -22    4   26 o   15.168   2.5011  267.242   72.472  234.648  105.876  295.976   99.410   14.102   3.7875   16.234   3.2676 -2.132861 5.002220 
1 1 1  -22    5    1 o   9.3212   2.2168   79.922   47.375   80.964   65.051   78.744   69.133   9.3142   3.0867   9.3282   3.1827 -0.1401424E-01 4.433692 
1 1 1  -22    5    2 o   81.988   0.7891  6533.94  125.577  6604.05  177.597  6463.84  177.588   82.428   1.1099   81.547   1.1219 0.8809967 1.578135 
1 1 1  -22    5    3 o  101.882   0.9182 10094.31  181.603 10095.52  256.947 10093.10  256.705  101.888   1.2991  101.877   1.2981 0.1205444E-01 1.836491 
1 1 1  -22    5    4 f   55.701   0.6924  3014.27   74.838  3028.17  107.374  3001.14  104.364   55.825   0.9908   55.577   0.9674 0.2482948 1.384768 
1 1 1  -22    5    5 o   59.947   0.6884  3489.62   80.069  3428.61  111.136  3555.46  115.456   59.403   0.9638   60.491   0.9832 -1.087543 1.376832 
1 1 1  -22    5    6 o   59.580   0.6898  3449.34   79.780  3435.80  113.230  3462.69  112.425   59.464   0.9809   59.697   0.9702 -0.2329178 1.379670 
1 1 1  -22    5    7 o   63.345   0.6980  3900.10   85.800  3838.16  122.089  3960.55  120.604   62.847   1.0008   63.843   0.9732 -0.9962044 1.395906 
1 1 1  -22    5    8 o   98.457   0.8768  9425.86  167.570  9533.01  238.230  9320.94  235.749   99.011   1.2395   97.903   1.2405 1.107628 1.753605 
1 1 1  -22    5    9 o   56.754   0.6834  3129.09   75.278  3175.31  107.832  3085.16  105.138   57.163   0.9718   56.346   0.9612 0.8166084 1.366875 
1 1 1  -22    5   10 o   36.464   0.7627  1294.52   53.842  1262.34   78.499  1323.10   73.989   36.033   1.1223   36.895   1.0331 -0.8618279 1.525370 
1 1 1  -22    5   11 o   50.954   0.6760  2523.16   66.849  2534.64   95.490  2512.14   93.614   51.067   0.9633   50.841   0.9485 0.2261314 1.351901 
1 1 1  -22    5   12 o   58.676   0.6851  3346.61   78.021  3359.31  111.635  3334.48  109.087   58.784   0.9783   58.568   0.9595 0.2158546 1.370294 
1 1 1  -22    5   13 o   30.450   0.8152  901.449   48.158  926.741   69.474  878.055   66.816   30.860   1.1597   30.040   1.1458 0.8206387 1.630302 
1 1 1  -22    5   14 f   43.371   0.8393  1778.35   66.071  1979.05  119.131  1689.20   79.401   45.067   1.3618   41.675   0.9815 3.391533 1.678608 
1 1 1  -22    5   15 o   35.426   1.0166  1224.27   69.895  1209.16   99.409  1239.03   98.294   35.208   1.4545   35.645   1.4206 -0.4362411 2.033146 
1 1 1  -22    5   16 o   47.514   0.8721  2200.18   80.399  2200.27  115.386  2200.10  112.089   47.512   1.2511   47.516   1.2152 -0.3822327E-02 1.744136 
1 1 1  -22    5   17 o   16.389   1.9540  284.593   57.965  203.653   87.629  347.559   77.290   13.986   3.2839   18.793   2.1186 -4.807576 3.907993 
1 1 1  -22    5   18 o   17.854   1.6899  321.752   57.068  282.044   87.848  350.745   75.065   16.836   2.6879   18.872   2.0490 -2.036076 3.379852 
1 1 1  -22    5   19 o   40.764   0.9378  1620.34   73.980  1680.60  109.760  1570.17  100.147   41.448   1.3642   40.080   1.2872 1.367653 1.875620 
1 1 1  -22    5   20 o   6.1971   2.0255 -60.2819   57.464 -78.8214   83.917 -43.9125   78.852   6.0426   2.8337   6.3516   2.8950 -0.3090234 4.051075 
1 1 1  -22    5   21 o   15.208   2.2203  246.426   63.398  212.203   89.696  280.592   89.622   14.052   3.3378   16.364   2.9289 -2.311765 4.440606 
1 1 1  -22    5   22 o   17.920   2.0133  354.109   63.685  211.488   93.541  477.334   86.948   13.962   3.4672   21.878   2.0473 -7.915928 4.026523 
1 1 1  -22    5   23 o   15.666   2.1960  259.254   65.287  350.915   96.183  180.938   88.906   18.502   2.6780   12.831   3.4811 5.671518 4.391982 
1 1 1  -22    5   24 o   20.074   1.7711  412.977   68.789  415.272  101.484  411.027   93.563   20.083   2.6032   20.066   2.4021 0.1725578E-01 3.542103 
1 1 1  -22    5   25 o   11.951   2.6528  161.872   68.518  160.115   99.266  163.472   94.693   11.893   3.8042   12.009   3.6982 -0.1161461 5.305538 
1 1 1  -22    5   26 o   8.3031   2.5359   18.994   75.117   41.433  106.527  -3.1983  105.937   8.7323   3.6802   7.8739   3.4899 0.8583813 5.071815 
1 1 1  -22    6    1 o   56.665   0.7017  3119.36   77.158  3241.98  110.022  3000.68  108.237   57.761   0.9812   55.568   1.0034 2.192589 1.403455 
1 1 1  -22    6    2 o   66.894   0.7169  4348.93   93.086  4410.79  131.395  4286.60  131.893   67.372   1.0047   66.416   1.0230 0.9567108 1.433869 
1 1 1  -22    6    3 o   72.832   0.7454  5155.46  105.374  5218.03  148.872  5092.63  149.171   73.275   1.0466   72.388   1.0616 0.8871536 1.490755 
1 1 1  -22    6    4 o   45.740   0.9005  2083.85   74.405  2178.23   91.158  1895.47  128.787   47.346   0.9919   44.134   1.5033 3.212482 1.800992 
1 1 1  -22    6    5 o  110.359   0.9607 11840.15  205.631 11988.71  297.965 11705.06  284.141  111.016   1.3827  109.703   1.3343 1.312775 1.921482 
1 1 1  -22    6    6 o   19.135   1.6301  381.318   55.149  426.680   68.047  294.483   94.146   20.932   1.6747   17.338   2.7973 3.593945 3.260275 
1 1 1  -22    6    7 o  103.767   0.9015 10471.35  181.581 10487.71  257.857 10455.26  255.743  103.846   1.2792  103.687   1.2706 0.1594315 1.802973 
1 1 1  -22    6    8 o   90.766   0.8313  8008.70  146.451  8105.33  208.975  7915.44  205.299   91.304   1.1791   90.229   1.1721 1.074959 1.662558 
1 1 1  -22    6    9 o   37.320   0.9827  1370.47   65.968  1396.82   79.944  1314.24  116.783   37.907   1.0864   36.734   1.6377 1.173321 1.965334 
1 1 1  -22    6   10 o  101.629   0.9053 10046.23  178.559 10096.51  255.244  9998.03  249.884  101.876   1.2907  101.382   1.2697 0.4943161 1.810544 
1 1 1  -22    6   11 o   84.871   0.8006  7003.88  131.881  7051.50  188.404  6958.13  184.667   85.153   1.1398   84.589   1.1246 0.5634995 1.601222 
1 1 1  -22    6   12 o   66.481   0.7081  4295.73   91.369  4183.02  128.067  4412.58  130.394   65.592   1.0058   67.369   0.9971 -1.776855 1.416278 
1 1 1  -22    6   13 o   33.302   1.0125  1106.54   59.467  1145.44   71.317  1017.77  107.728   34.315   1.0706   32.289   1.7187 2.025696 2.024917 
1 1 1  -22    6   14 o   31.796   0.9277  967.452   55.069  1047.35   93.016  924.331   68.332   32.774   1.4620   30.817   1.1423 1.957521 1.855355 
1 1 1  -22    6   15 o   18.885   1.6529  353.922   59.917  323.033   89.157  379.364   80.914   18.105   2.5369   19.665   2.1197 -1.560211 3.305882 
1 1 1  -22    6   16 o   10.639   2.4401  111.100   58.037   90.118   87.569  127.534   77.503   10.077   3.5731   11.202   3.3242 -1.124477 4.880248 
1 1 1  -22    6   17 o   57.080   0.9097  3183.93  100.591  3078.29  145.491  3280.68  139.229   56.160   1.3346   58.000   1.2366 -1.839474 1.819422 
1 1 1  -22    6   18 o   28.051   1.1390  763.514   61.697  843.997   93.239  700.824   82.289   29.350   1.6365   26.753   1.5846 2.597176 2.277942 
1 1 1  -22    6   19 o   11.024   2.2871  129.300   54.773   69.428   87.020  168.583   70.487   9.3431   3.5214   12.706   2.9192 -3.362553 4.574111 
1 1 1  -22    6   20 o   25.316   1.2875  626.459   62.824  686.250   96.022  581.709   83.071   26.347   1.8775   24.284   1.7623 2.063402 2.574948 
1 1 1  -22    6   21 o   23.748   1.4113  562.367   64.518  548.852   97.021  573.082   86.386   23.452   2.1312   24.045   1.8508 -0.5932465 2.822684 
1 1 1  -22    6   22 o   29.687   1.2244  872.810   70.515  859.991  101.027  884.987   98.468   29.462   1.7665   29.911   1.6959 -0.4489460 2.448769 
1 1 1  -22    6   23 o   9.6561   2.5655   83.001   65.037   87.228   96.170   79.439   88.287   9.8509   3.7041   9.4614   3.5507 0.3895121 5.131027 
1 1 1  -22    6   24 o   19.093   1.8738  379.754   68.678  338.744  100.731  415.376   93.881   18.017   2.8801   20.169   2.3979 -2.151499 3.747622 
1 1 1  -22    6   25 o   17.475   1.9476  325.170   63.950  343.621   86.852  303.322   94.509   18.248   2.4519   16.701   3.0266 1.547245 3.895145 
1 1 1  -22    6   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22    7    1 o   77.349   0.7653  5814.72  114.895  5780.17  161.310  5850.29  163.687   77.116   1.0776   77.581   1.0869 -0.4653473 1.530540 
1 1 1  -22    7    2 o   44.731   0.7227  1942.69   62.719  1892.57   86.952  1997.04   90.554   44.131   1.0150   45.331   1.0291 -1.200752 1.445420 
1 1 1  -22    7    3 o   21.961   1.1330  467.945   48.206  444.939   65.688  494.795   70.963   21.379   1.5828   22.543   1.6216 -1.164316 2.266048 
1 1 1  -22    7    4 o   35.474   0.7917  1222.13   54.482  1253.77   78.735  1193.07   75.466   35.914   1.1294   35.035   1.1097 0.8792038 1.583301 
1 1 1  -22    7    5 o   26.436   0.9797  680.143   50.243  669.759   72.018  689.990   70.128   26.238   1.4140   26.634   1.3564 -0.3958492 1.959416 
1 1 1  -22    7    6 o   27.782   0.9179  751.646   49.427  728.050   71.157  773.646   68.708   27.359   1.3399   28.206   1.2549 -0.8474426 1.835741 
1 1 1  -22    7    7 o   66.334   0.8905  4349.36  108.259  4503.40  134.056  4060.53  183.560   68.073   1.0145   64.595   1.4639 3.478142 1.781062 
1 1 1  -22    7    8 o   62.129   0.8500  3771.28   96.045  3701.85  167.581  3805.23  117.205   61.681   1.3996   62.577   0.9649 -0.8961258 1.699964 
1 1 1  -22    7    9 o   92.740   0.8552  8360.77  153.895  8467.38  221.352  8261.02  214.110   93.311   1.2220   92.170   1.1967 1.140358 1.710397 
1 1 1  -22    7   10 o   68.029   0.7187  4499.64   94.883  4388.05  134.607  4609.84  133.767   67.188   1.0321   68.869   1.0006 -1.680145 1.437488 
1 1 1  -22    7   11 o   76.346   0.7567  5667.56  112.117  5655.13  160.259  5679.48  156.908   76.263   1.0825   76.430   1.0576 -0.1671219 1.513406 
1 1 1  -22    7   12 o   61.029   0.6754  3614.27   79.935  3764.95  116.313  3479.42  110.039   62.231   0.9628   59.827   0.9475 2.404774 1.350867 
1 1 1  -22    7   13 o   64.831   0.8195  4047.30   98.643  3946.80  122.037  4236.71  167.542   63.706   0.9868   65.956   1.3086 -2.249786 1.638980 
1 1 1  -22    7   14 o   8.9753   2.2263   70.931   50.948 -10.4951   93.532  105.284   60.752   7.7532   3.3614   10.197   2.9201 -2.444145 4.452595 
1 1 1  -22    7   15 o   38.088   0.9750  1416.71   71.617  1395.15  107.141  1434.12   96.291   37.815   1.4596   38.361   1.2931 -0.5457954 1.949978 
1 1 1  -22    7   16 o   20.349   1.5302  407.992   59.344  402.780   92.851  411.592   77.161   20.212   2.3665   20.485   1.9405 -0.2720432 3.060328 
1 1 1  -22    7   17 o   23.769   1.2318  547.970   55.981  585.319   88.250  522.822   72.415   24.424   1.8614   23.114   1.6139 1.309553 2.463662 
1 1 1  -22    7   18 o   32.233   0.9893  1011.95   61.558  1048.37   92.699  983.219   82.332   32.740   1.4586   31.726   1.3369 1.014389 1.978544 
1 1 1  -22    7   19 f   31.292   1.0364  961.797   61.907  946.482   96.308  972.581   80.815   31.051   1.5978   31.533   1.3203 -0.4816589 2.072702 
1 1 1  -22    7   20 o   26.896   1.2245  710.059   62.486  729.295  100.071  697.766   79.999   27.151   1.8987   26.642   1.5468 0.5083103 2.449074 
1 1 1  -22    7   21 o   7.5372   2.2869   5.2376   59.658  -0.9753   90.583   9.9967   79.280   7.6458   3.3113   7.4286   3.1551 0.2172055 4.573821 
1 1 1  -22    7   22 o   25.427   1.3782  642.380   67.897  664.215   99.746  623.527   92.685   25.816   1.9904   25.039   1.9069 0.7762547 2.756450 
1 1 1  -22    7   23 o   14.378   2.2088  223.513   60.086  182.904   83.916  266.236   86.074   12.927   3.3252   15.829   2.9084 -2.902225 4.417678 
1 1 1  -22    7   24 o   12.398   2.5207  173.150   68.050   97.171  100.489  237.506   92.483   10.123   3.7902   14.673   3.3240 -4.550014 5.041323 
1 1 1  -22    7   25 o   11.775   2.5304  151.771   70.043   56.181  101.347  239.179   96.913   9.0121   3.6740   14.537   3.4805 -5.525044 5.060812 
1 1 1  -22    7   26 o   8.4732   2.3735   52.654   61.890 -31.8625  106.850   95.324   75.922   7.4371   3.3822   9.5093   3.3310 -2.072124 4.747053 
1 1 1  -22    8    1 o   32.520   0.8543  1029.04   53.824  1111.90   76.538  947.978   75.706   33.818   1.1659   31.222   1.2491 2.596039 1.708699 
1 1 1  -22    8    2 o  125.699   1.0588 15376.57  258.260 15345.12  360.152 15409.86  370.538  125.571   1.4775  125.827   1.5170 -0.2555389 2.117646 
1 1 1  -22    8    3 o   87.365   0.8231  7420.29  139.587  7432.35  197.221  7408.17  197.592   87.436   1.1620   87.293   1.1661 0.1428680 1.646171 
1 1 1  -22    8    4 o   69.439   0.7218  4685.94   97.290  4713.50  137.266  4658.12  137.915   69.644   1.0153   69.233   1.0262 0.4112167 1.443611 
1 1 1  -22    8    5 f   55.181   0.6831  2956.03   73.121  3031.94  105.705  2886.38  101.256   55.859   0.9748   54.503   0.9571 1.356297 1.366122 
1 1 1  -22    8    6 o   39.500   0.7370  1516.44   56.470  1444.81   79.442  1589.61   80.286   38.556   1.0614   40.444   1.0226 -1.887993 1.473928 
1 1 1  -22    8    7 o  107.445   0.9462 11230.16  197.349 11160.90  278.989 11299.52  279.197  107.113   1.3418  107.777   1.3345 -0.6644592 1.892419 
1 1 1  -22    8    8 o   85.879   0.8140  7171.17  135.671  7123.70  193.173  7217.38  190.589   85.597   1.1626   86.161   1.1395 -0.5639725 1.627919 
1 1 1  -22    8    9 o   45.281   0.6976  1995.27   61.216  1939.14   88.405  2046.98   84.848   44.667   1.0196   45.896   0.9524 -1.229366 1.395197 
1 1 1  -22    8   10 o   66.995   0.7103  4362.77   92.361  4353.50  131.625  4371.75  129.635   66.924   1.0132   67.066   0.9958 -0.1418228 1.420597 
1 1 1  -22    8   11 o   57.015   0.6698  3157.66   74.063  3204.57  107.328  3115.02  102.332   57.418   0.9629   56.613   0.9312 0.8052063 1.339532 
1 1 1  -22    8   12 o   17.013   1.3649  288.864   44.031  245.887   66.589  322.254   58.695   15.850   2.1643   18.176   1.6636 -2.326354 2.729779 
1 1 1  -22    8   13 o   18.626   1.2505  339.077   45.124  335.333   65.722  342.416   62.065   18.524   1.8277   18.727   1.7073 -0.2027035 2.501083 
1 1 1  -22    8   14 o   14.746   1.8311  195.975   49.002  342.880   83.759  119.532   60.421   18.685   2.3093   10.806   2.8423 7.878852 3.662142 
1 1 1  -22    8   15 o   11.137   2.4488  115.752   59.286  170.693   92.068   76.831   77.491   12.860   3.5645   9.4147   3.3587 3.445494 4.897583 
1 1 1  -22    8   16 o   29.927   1.0957  877.653   62.581  862.167   97.426  888.531   81.653   29.682   1.6909   30.172   1.3941 -0.4898129 2.191491 
1 1 1  -22    8   17 o   64.257   0.9559  4025.19  118.975  4116.79  174.839  3946.19  162.365   64.927   1.3872   63.587   1.3154 1.339752 1.911735 
1 1 1  -22    8   18 o   52.203   0.8981  2652.02   90.570  2745.84  135.820  2576.89  121.538   53.019   1.3197   51.386   1.2184 1.632885 1.796140 
1 1 1  -22    8   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22    8   20 o   12.204   2.2517  150.288   54.290  213.735   85.210  106.932   70.438   14.200   3.1714   10.209   3.1972 3.991010 4.503343 
1 1 1  -22    8   21 o   18.899   1.7142  358.721   61.960  363.164   96.365  355.590   80.900   18.942   2.6208   18.856   2.2103 0.8638573E-01 3.428374 
1 1 1  -22    8   22 o   13.875   2.1990  216.000   59.805  126.408   91.672  282.383   78.910   11.031   3.6647   16.719   2.4314 -5.688412 4.397911 
1 1 1  -22    8   23 o   9.8334   2.4965   91.113   62.684   49.542   91.794  127.436   85.806   8.7363   3.5200   10.930   3.5411 -2.194149 4.992975 
1 1 1  -22    8   24 o   29.387   1.2954  865.245   73.801  827.196  105.221  902.087  103.539   28.723   1.8871   30.051   1.7749 -1.327539 2.590704 
1 1 1  -22    8   25 o   23.686   1.6096  575.555   73.901  563.705  106.643  586.503  102.504   23.411   2.3466   23.960   2.2039 -0.5483818 3.219277 
1 1 1  -22    9    1 o   43.925   0.7032  1875.84   59.729  1884.42   81.119  1865.69   88.272   44.038   0.9489   43.813   1.0379 0.2242241 1.406305 
1 1 1  -22    9    2 o   31.898   0.8563  987.980   52.966  961.167   72.904  1017.95   77.080   31.441   1.1945   32.355   1.2273 -0.9138222 1.712614 
1 1 1  -22    9    3 o   25.058   1.0124  610.517   49.225  629.861   70.792  592.409   68.494   25.442   1.4334   24.674   1.4300 0.7678509 2.024722 
1 1 1  -22    9    4 o   26.976   0.9478  707.868   49.563  707.250   72.013  708.423   68.318   26.963   1.3759   26.988   1.3040 -0.2552986E-01 1.895669 
1 1 1  -22    9    5 o   51.648   0.6785  2590.36   67.999  2683.17   97.497  2502.45   94.886   52.549   0.9558   50.748   0.9632 1.800892 1.356953 
1 1 1  -22    9    6 o   17.730   1.5294  333.324   46.830  193.750   68.630  454.931   64.060   13.842   2.6508   21.618   1.5265 -7.776785 3.058888 
1 1 1  -22    9    7 o   35.193   0.7846  1206.47   53.479  1156.29   77.230  1252.69   74.126   34.486   1.1536   35.900   1.0637 -1.413307 1.569185 
1 1 1  -22    9    8 o   55.003   0.6785  2940.40   72.431  2876.37  102.531  3004.19  102.336   54.405   0.9708   55.602   0.9481 -1.197243 1.357025 
1 1 1  -22    9    9 o   36.320   0.7506  1283.92   52.855  1237.45   75.758  1327.99   73.778   35.677   1.0939   36.963   1.0282 -1.285606 1.501289 
1 1 1  -22    9   10 o   15.496   1.5895  248.279   44.504  185.915   67.222  296.941   59.380   13.542   2.6522   17.451   1.7529 -3.909838 3.179085 
1 1 1  -22    9   11 o   82.125   0.7869  6558.46  125.439  6445.40  176.207  6674.62  178.611   81.407   1.1151   82.843   1.1107 -1.435623 1.573839 
1 1 1  -22    9   12 o   72.049   0.7283  5048.51  101.865  5036.31  144.264  5060.63  143.855   71.962   1.0327   72.137   1.0273 -0.1743011 1.456681 
1 1 1  -22    9   13 o   49.743   0.6699  2402.91   64.638  2485.80   93.680  2327.59   89.302   50.560   0.9545   48.926   0.9403 1.634060 1.339853 
1 1 1  -22    9   14 o   58.683   0.8511  3339.55   89.634  3389.83  161.667  3317.24  107.703   58.964   1.4124   58.402   0.9500 0.5625763 1.702214 
1 1 1  -22    9   15 o   17.956   1.7886  320.977   60.048  306.669   97.959  329.590   76.002   17.591   2.8688   18.321   2.1371 -0.7300358 3.577298 
1 1 1  -22    9   16 o   39.876   0.9681  1569.24   73.421  1456.27  113.593  1650.30   96.221   38.605   1.5158   41.147   1.2047 -2.542389 1.936216 
1 1 1  -22    9   17 o   29.044   1.1471  817.830   63.601  868.771  100.686  784.008   82.041   29.771   1.7423   28.318   1.4925 1.452465 2.294114 
1 1 1  -22    9   18 o   31.200   1.0792  952.960   64.469  954.393   99.766  951.933   84.475   31.198   1.6474   31.202   1.3947 -0.4867554E-02 2.158479 
1 1 1  -22    9   19 o   6.7257   2.1022 -25.1303   55.798 -89.1210   90.123   14.646   71.054   6.2025   2.9176   7.2488   3.0271 -1.046306 4.204309 
1 1 1  -22    9   20 f   31.837   1.0599  1006.37   64.288  937.086   98.981  1056.93   84.549   30.836   1.6536   32.837   1.3264 -2.001257 2.119836 
1 1 1  -22    9   21 f   31.250   1.0512  962.117   63.004  952.586   96.570  969.181   83.135   31.081   1.6006   31.418   1.3631 -0.3374481 2.102378 
1 1 1  -22    9   22 o   23.994   1.3376  572.156   61.424  577.470   95.293  568.378   80.341   24.041   2.0420   23.948   1.7282 0.9268570E-01 2.675137 
1 1 1  -22    9   23 o   35.590   1.0930  1255.30   75.035  1239.22  112.146  1268.33  100.963   35.343   1.6346   35.838   1.4513 -0.4950104 2.185920 
1 1 1  -22    9   24 o   31.397   1.1867  983.440   72.102  892.868  101.617  1075.28  102.323   29.903   1.7506   32.890   1.6027 -2.987223 2.373415 
1 1 1  -22    9   25 o   15.702   2.3613  274.310   69.376  294.137  104.881  258.886   92.505   16.148   3.4506   15.257   3.2244 0.8914127 4.722671 
1 1 1  -22   10    1 f   55.398   0.6901  2981.53   74.181  3093.13  105.782  2873.54  104.055   56.418   0.9659   54.377   0.9858 2.040901 1.380107 
1 1 1  -22   10    2 o   43.262   0.7013  1818.61   58.848  1813.15   81.504  1824.55   85.058   43.196   0.9720   43.329   1.0113 -0.1334076 1.402675 
1 1 1  -22   10    3 o   46.269   0.6840  2079.85   61.424  2048.14   86.072  2112.76   87.685   45.910   0.9658   46.629   0.9687 -0.7184334 1.367931 
1 1 1  -22   10    4 o   53.030   0.6797  2729.91   69.918  2799.23  101.271  2666.76   96.649   53.672   0.9720   52.388   0.9504 1.284012 1.359434 
1 1 1  -22   10    5 o   30.715   0.8628  919.523   51.318  870.388   73.787  965.558   71.421   29.916   1.2706   31.514   1.1675 -1.598091 1.725558 
1 1 1  -22   10    6 o   47.473   0.6837  2190.66   62.985  2143.79   89.426  2236.80   88.727   46.969   0.9808   47.978   0.9527 -1.009647 1.367340 
1 1 1  -22   10    7 o   61.985   0.6869  3731.00   82.596  3802.49  119.447  3665.51  114.337   62.552   0.9837   61.417   0.9590 1.135143 1.373833 
1 1 1  -22   10    8 o   31.856   0.7913  979.469   48.737  1107.80   72.266  872.405   66.007   33.757   1.1028   29.955   1.1352 3.801847 1.582665 
1 1 1  -22   10    9 o   84.007   0.8007  6851.41  130.475  7153.81  189.068  6576.46  180.284   85.774   1.1355   82.241   1.1293 3.533150 1.601473 
1 1 1  -22   10   10 o   48.053   0.6882  2244.58   64.175  2182.54   90.535  2307.23   90.982   47.385   0.9843   48.721   0.9620 -1.336426 1.376303 
1 1 1  -22   10   11 o   41.888   0.6921  1706.67   56.248  1667.43   80.248  1744.57   78.864   41.413   0.9982   42.363   0.9590 -0.9499550 1.384275 
1 1 1  -22   10   12 o   36.608   0.7507  1299.72   53.181  1350.05   78.936  1257.89   71.964   37.252   1.0916   35.963   1.0309 1.289494 1.501397 
1 1 1  -22   10   13 o   40.832   0.6977  1623.03   55.079  1604.94   81.412  1638.30   74.795   40.618   1.0325   41.046   0.9387 -0.4280701 1.395459 
1 1 1  -22   10   14 o   23.587   1.2679  534.511   52.444  566.293   99.411  522.254   61.733   24.028   2.1314   23.146   1.3740 0.8821201 2.535856 
1 1 1  -22   10   15 o   51.404   0.9108  2585.70   90.114  2494.97  135.262  2658.10  120.837   50.574   1.3778   52.234   1.1917 -1.660046 1.821687 
1 1 1  -22   10   16 o   41.736   0.9161  1695.60   73.761  1730.92  111.159  1667.81   98.595   42.113   1.3598   41.359   1.2281 0.7536545 1.832248 
1 1 1  -22   10   17 o   31.436   1.0303  956.912   62.505  1050.17   94.849  885.326   83.102   32.772   1.4910   30.100   1.4222 2.671757 2.060515 
1 1 1  -22   10   18 o   42.385   0.9396  1766.82   76.211  1685.19  116.567  1827.77  100.719   41.498   1.4471   43.273   1.1990 -1.775429 1.879264 
1 1 1  -22   10   19 o   8.3137   2.3154   44.549   53.668   45.839   87.345   43.767   68.022   8.6753   3.4548   7.9520   3.0838 0.7232380 4.630885 
1 1 1  -22   10   20 o   31.353   1.0822  971.797   64.934  936.451   99.535  997.985   85.676   30.816   1.6640   31.890   1.3840 -1.073988 2.164323 
1 1 1  -22   10   21 o   32.922   1.0518  1056.83   66.085  1118.50  104.625  1015.90   85.242   33.678   1.6004   32.166   1.3652 1.512749 2.103546 
1 1 1  -22   10   22 o   13.243   2.0903  197.691   59.200   52.841   88.120  316.842   79.921   8.7614   3.4760   17.725   2.3227 -8.964044 4.180665 
1 1 1  -22   10   23 o   8.5679   2.4270   47.435   60.113   64.738   96.104   36.315   77.046   9.2214   3.6391   7.9144   3.2122 1.306989 4.853958 
1 1 1  -22   10   24 o   10.951   2.1999  117.138   58.981   3.4446   83.321  231.331   83.504   7.3196   3.1730   14.582   3.0481 -7.262754 4.399834 
1 1 1  -22   10   25 o   24.482   1.4165  597.422   64.117  643.862  110.260  573.694   78.813   25.039   2.2685   23.926   1.6969 1.112474 2.832971 
1 1 1  -22   11    1 o   20.395   1.2813  408.571   49.848  317.922   69.681  503.591   71.341   18.052   1.9885   22.739   1.6162 -4.687675 2.562507 
1 1 1  -22   11    2 o   32.517   0.8376  1028.53   52.653  1154.94   75.479  908.706   73.486   34.467   1.1281   30.568   1.2384 3.899405 1.675234 
1 1 1  -22   11    3 o   50.593   0.6649  2485.00   65.266  2564.15   93.987  2411.29   90.701   51.370   0.9425   49.815   0.9380 1.554405 1.329708 
1 1 1  -22   11    4 o   32.743   0.8031  1043.56   50.983  1092.36   71.623  993.440   72.589   33.522   1.1007   31.965   1.1699 1.557045 1.606246 
1 1 1  -22   11    5 o   46.102   0.6851  2064.69   61.265  2082.16   88.531  2048.63   84.869   46.288   0.9853   45.916   0.9522 0.3722725 1.370195 
1 1 1  -22   11    6 o   24.442   1.0137  586.050   47.672  506.997   68.383  660.794   66.493   22.820   1.5437   26.063   1.3143 -3.243347 2.027395 
1 1 1  -22   11    7 o   86.403   0.8189  7258.80  137.348  7261.16  194.669  7256.47  193.812   86.417   1.1605   86.389   1.1557 0.2729797E-01 1.637803 
1 1 1  -22   11    8 o   25.677   0.9488  641.624   47.283  632.018   67.111  651.093   66.629   25.486   1.3565   25.869   1.3268 -0.3831406 1.897559 
1 1 1  -22   11    9 o   42.606   0.6828  1752.10   56.277  1927.06   83.850  1608.69   75.916   44.528   0.9701   40.684   0.9613 3.843700 1.365680 
1 1 1  -22   11   10 o   58.047   0.6850  3274.56   77.111  3291.17  111.747  3259.47  106.542   58.186   0.9894   57.908   0.9478 0.2771149 1.370097 
1 1 1  -22   11   11 o   14.473   1.7227  226.667   44.188  132.811   66.596  300.492   59.063   11.399   2.9772   17.548   1.7339 -6.149134 3.445324 
1 1 1  -22   11   12 o   63.182   0.6956  3880.18   85.285  3949.47  122.598  3815.21  118.716   63.727   0.9911   62.636   0.9764 1.090668 1.391227 
1 1 1  -22   11   13 o   64.945   0.6934  4101.79   87.411  4060.25  122.694  4144.60  124.563   64.611   0.9783   65.278   0.9830 -0.6670609 1.386825 
1 1 1  -22   11   14 f   57.318   0.8429  3170.04   86.450  3275.74  157.426  3124.41  103.442   57.959   1.3992   56.677   0.9402 1.281784 1.685794 
1 1 1  -22   11   15 o   60.364   0.9569  3542.94  111.154  3639.40  169.660  3470.41  147.127   61.064   1.4313   59.664   1.2703 1.399227 1.913718 
1 1 1  -22   11   16 o   86.616   1.1584  7344.13  194.585  7290.99  280.882  7393.16  269.820   86.297   1.6767   86.934   1.5989 -0.6365356 2.316862 
1 1 1  -22   11   17 o   34.941   1.0160  1201.15   67.528  1152.28  105.488  1235.09   87.899   34.308   1.5839   35.574   1.2729 -1.265297 2.032023 
1 1 1  -22   11   18 o   26.179   1.1660  665.984   58.139  706.184   92.690  639.909   74.649   26.800   1.7817   25.558   1.5046 1.241350 2.332032 
1 1 1  -22   11   19 o   42.281   0.8761  1748.99   71.439  1743.21  107.166  1753.62   95.841   42.199   1.3082   42.362   1.1655 -0.1629410 1.752105 
1 1 1  -22   11   20 o   17.749   1.7285  321.593   57.775  293.284   91.086  340.649   74.733   17.001   2.7601   18.496   2.0814 -1.495813 3.456901 
1 1 1  -22   11   21 o   17.664   1.7512  293.514   58.003  416.065   97.912  227.254   71.995   20.313   2.4831   15.015   2.4700 5.297730 3.502382 
1 1 1  -22   11   22 o   7.8341   2.2615   20.581   54.105   69.203   87.569  -9.4426   68.811   9.1809   3.5150   6.4873   2.8464 2.693598 4.523010 
1 1 1  -22   11   23 o   23.806   1.4679  595.794   64.196  468.704  101.589  680.279   82.829   21.434   2.4417   26.178   1.6300 -4.743954 2.935746 
1 1 1  -22   11   24 o   34.512   1.1478  1197.75   75.325  1118.77  116.643  1254.24   98.654   33.429   1.7975   35.596   1.4277 -2.167122 2.295528 
1 1 1  -22   11   25 o   14.010   2.3309  215.766   58.566  235.475  106.559  207.236   70.104   14.172   3.7969   13.847   2.7050 0.3245230 4.661896 
1 1 1  -22   12    1 o   29.183   0.8698  828.000   49.255  860.305   70.314  796.875   69.018   29.742   1.2179   28.624   1.2421 1.118587 1.739588 
1 1 1  -22   12    2 o   56.489   0.6840  3100.50   74.999  3035.10  105.360  3167.69  106.783   55.885   0.9712   57.093   0.9635 -1.208225 1.368051 
1 1 1  -22   12    3 o   10.486   2.0675  107.290   47.920  171.519   66.904   39.628   68.668   12.990   2.7395   7.9812   3.0975 5.008915 4.135078 
1 1 1  -22   12    4 o   31.615   0.8212  974.028   50.271  932.232   72.740  1012.24   69.554   30.962   1.2103   32.268   1.1104 -1.306192 1.642471 
1 1 1  -22   12    5 o   52.986   0.6825  2727.41   70.174  2759.14  100.875  2697.64   97.685   53.284   0.9753   52.688   0.9551 0.5958633 1.365042 
1 1 1  -22   12    6 o   22.983   1.0479  513.268   46.670  557.683   67.438  472.445   64.654   23.937   1.4514   22.029   1.5119 1.907742 2.095797 
1 1 1  -22   12    7 o   36.778   0.7477  1318.42   53.192  1265.05   77.624  1365.67   73.036   36.072   1.1086   37.485   1.0037 -1.412815 1.495456 
1 1 1  -22   12    8 o   67.947   0.7167  4487.69   94.523  4448.77  133.707  4526.58  133.643   67.652   1.0181   68.242   1.0089 -0.5900116 1.433327 
1 1 1  -22   12    9 o   54.348   0.6752  2870.88   71.231  2867.80  101.332  2873.88  100.149   54.319   0.9610   54.377   0.9488 -0.5845261E-01 1.350467 
1 1 1  -22   12   10 o   52.590   0.6719  2686.10   68.534  2744.64   99.346  2632.94   94.666   53.135   0.9632   52.045   0.9370 1.090313 1.343757 
1 1 1  -22   12   11 o   67.253   0.7112  4397.99   92.832  4417.85  132.445  4378.81  130.153   67.401   1.0123   67.104   0.9992 0.2967300 1.422344 
1 1 1  -22   12   12 o   67.380   0.7143  4415.84   93.423  4382.19  131.977  4449.64  132.262   67.122   1.0129   67.638   1.0074 -0.5154037 1.428544 
1 1 1  -22   12   13 o   24.366   0.9975  576.876   47.060  638.154   68.579  522.339   64.697   25.587   1.3807   23.145   1.4400 2.442291 1.994999 
1 1 1  -22   12   14 f   66.049   0.8865  4213.71  104.757  4346.17  190.724  4156.49  125.359   66.737   1.4722   65.361   0.9880 1.376160 1.773034 
1 1 1  -22   12   15 o   32.914   1.1287  1087.11   68.806  956.867  111.973  1166.13   87.215   31.248   1.8460   34.580   1.2993 -3.331600 2.257377 
1 1 1  -22   12   16 o   25.260   1.3012  591.289   61.236  751.998  106.372  511.628   74.891   27.664   1.9808   22.857   1.6879 4.807344 2.602438 
1 1 1  -22   12   17 o   68.367   0.9998  4580.42  132.265  4388.69  192.368  4752.34  182.152   66.984   1.4794   69.751   1.3453 -2.766449 1.999645 
1 1 1  -22   12   18 o   7.8190   2.2648   27.354   53.770  -4.0581   92.821   43.219   65.966   7.7572   3.3558   7.8808   3.0422 -0.1236186 4.529513 
1 1 1  -22   12   19 o   7.6127   2.0980   9.2524   54.280 -119.6661   87.784   89.055   69.066   5.6981   2.7358   9.5273   3.1816 -3.829152 4.196084 
1 1 1  -22   12   20 o   11.926   2.2200  157.489   54.337   93.528   84.160  203.211   71.155   9.9104   3.5040   13.942   2.7269 -4.031399 4.440042 
1 1 1  -22   12   21 o   8.5905   2.3368   55.456   56.419  -2.9326   97.582   84.775   69.147   7.8677   3.4222   9.3134   3.1831 -1.445636 4.673663 
1 1 1  -22   12   22 o   8.7188   2.3602   61.364   56.586   17.333   95.873   84.903   70.098   8.1564   3.4671   9.2811   3.2035 -1.124669 4.720495 
1 1 1  -22   12   23 o   9.4450   2.5067   81.023   61.845   68.198   98.012   89.507   79.719   9.3367   3.6781   9.5532   3.4068 -0.2165260 5.013444 
1 1 1  -22   12   24 o   26.067   1.2338  679.881   55.250  678.386  106.282  680.435   64.676   25.867   2.1167   26.268   1.2684 -0.4010944 2.467622 
1 1 1  -22   12   25 o   9.8752   2.3316  110.230   54.662   34.227  105.343  138.234   63.944   8.5724   3.6387   11.178   2.9163 -2.605577 4.663158 
1 1 1  -22   13    1 o   17.683   1.4178  307.563   48.233  348.443   67.460  264.809   68.990   18.902   1.8385   16.464   2.1587 2.438688 2.835526 
1 1 1  -22   13    2 o   42.700   0.7087  1772.37   58.735  1806.73   82.934  1737.79   83.195   43.116   0.9909   42.284   1.0136 0.8318672 1.417471 
1 1 1  -22   13    3 o   38.053   0.7249  1407.20   53.530  1359.72   75.206  1455.95   76.208   37.402   1.0358   38.704   1.0143 -1.302029 1.449779 
1 1 1  -22   13    4 o   79.525   0.7789  6147.75  120.230  6190.91  171.297  6105.85  168.794   79.800   1.1058   79.251   1.0972 0.5491486 1.557781 
1 1 1  -22   13    5 o   35.146   0.7762  1200.89   52.957  1202.48   75.077  1199.31   74.708   35.169   1.0997   35.123   1.0957 0.4614639E-01 1.552415 
1 1 1  -22   13    6 o   26.966   0.8949  708.125   46.769  691.304   67.599  723.569   64.775   26.657   1.3064   27.276   1.2234 -0.6189346 1.789787 
1 1 1  -22   13    7 o   10.809   2.0288  117.373   44.457  157.500   63.834   79.577   61.952   12.436   2.7200   9.1810   3.0108 3.255024 4.057515 
1 1 1  -22   13    8 o   12.759   1.8184  172.666   44.206   87.338   64.227  249.471   60.935   9.5333   3.0611   15.986   1.9637 -6.452453 3.636805 
1 1 1  -22   13    9 o   48.453   0.6857  2281.15   64.450  2306.44   93.175  2257.95   89.244   48.709   0.9854   48.197   0.9539 0.5123138 1.371478 
1 1 1  -22   13   10 o   33.417   0.7617  1093.56   48.880  1029.02   73.487  1144.77   65.461   32.521   1.1641   34.314   0.9828 -1.792160 1.523444 
1 1 1  -22   13   11 o   22.497   1.0288  495.368   44.569  475.039   66.599  511.856   59.979   22.070   1.5545   22.923   1.3479 -0.8528519 2.057510 
1 1 1  -22   13   12 o   44.812   0.6733  1952.23   58.508  1965.22   84.872  1940.47   80.767   44.952   0.9726   44.672   0.9314 0.2802696 1.346662 
1 1 1  -22   13   13 o   40.510   0.6803  1596.47   53.456  1589.41   76.975  1603.04   74.292   40.422   0.9810   40.598   0.9427 -0.1763878 1.360521 
1 1 1  -22   13   14 o   37.202   0.9038  1379.89   58.690  1277.16  108.355  1422.54   69.819   36.164   1.5435   38.240   0.9406 -2.076553 1.807520 
1 1 1  -22   13   15 o   52.104   0.9023  2613.29   89.521  2819.20  143.301  2481.50  114.643   53.746   1.3735   50.462   1.1703 3.283520 1.804526 
1 1 1  -22   13   16 o   30.032   1.1602  901.221   63.149  830.282  108.913  937.147   77.507   29.073   1.9298   30.990   1.2884 -1.916910 2.320411 
1 1 1  -22   13   17 o   41.681   0.9542  1718.44   75.183  1598.64  118.463  1799.23   97.286   40.415   1.5100   42.948   1.1669 -2.532627 1.908344 
1 1 1  -22   13   18 o   49.092   0.9243  2349.09   86.183  2396.39  137.423  2318.44  110.646   49.460   1.4313   48.724   1.1699 0.7367516 1.848580 
1 1 1  -22   13   19 o   54.082   0.9218  2859.67   95.469  2895.00  148.009  2834.49  124.932   54.329   1.4034   53.835   1.1955 0.4937820 1.843585 
1 1 1  -22   13   20 o   20.888   1.4322  421.579   56.947  500.140   92.237  373.188   72.391   22.389   2.1223   19.387   1.9236 3.001980 2.864323 
1 1 1  -22   13   21 o   34.283   1.0383  1170.27   66.736  1103.01  107.758  1212.12   84.998   33.407   1.6617   35.159   1.2454 -1.751991 2.076587 
1 1 1  -22   13   22 o   10.650   2.4518  119.770   56.816  107.714   97.656  125.938   69.856   10.467   3.7666   10.833   3.1398 -0.3657579 4.903621 
1 1 1  -22   13   23 o   20.147   1.6318  428.086   60.493  352.419   96.920  476.376   77.425   18.463   2.7043   21.832   1.8270 -3.369137 3.263589 
1 1 1  -22   13   24 o   8.1907   2.3256   47.879   52.893   30.318  100.855   54.541   62.121   8.4559   3.5732   7.9255   2.9776 0.5304556 4.651230 
1 1 1  -22   13   25 o   8.8155   2.2252   72.495   56.367 -60.1745  104.277  127.263   66.999   6.9430   3.2237   10.688   3.0683 -3.745135 4.450445 
1 1 1  -22   14    1 o   66.891   0.7135  4348.89   92.634  4393.71  131.823  4305.16  130.202   67.231   1.0101   66.550   1.0079 0.6807327 1.426903 
1 1 1  -22   14    2 o   13.157   1.8604  177.032   46.628  259.376   66.852   99.021   65.069   16.295   2.1134   10.019   3.0624 6.276686 3.720850 
1 1 1  -22   14    3 o   20.525   1.2073  410.473   48.091  406.096   67.140  415.084   68.916   20.414   1.6943   20.637   1.7203 -0.2233734 2.414589 
1 1 1  -22   14    4 o  101.345   0.9249  9992.51  181.951 10039.63  257.762  9945.70  256.876  101.583   1.3072  101.107   1.3088 0.4766235 1.849782 
1 1 1  -22   14    5 o   33.778   0.7520  1111.02   49.205  1143.86   68.063  1075.06   71.215   34.304   1.0221   33.253   1.1033 1.051678 1.503966 
1 1 1  -22   14    6 o   22.939   1.0545  513.003   46.892  496.964   67.426  528.026   65.257   22.589   1.5377   23.289   1.4435 -0.6999683 2.109027 
1 1 1  -22   14    7 o   34.147   0.7578  1133.59   50.232  1119.24   70.698  1148.22   71.385   33.929   1.0734   34.365   1.0701 -0.4367180 1.515699 
1 1 1  -22   14    8 o   17.232   1.3665  288.623   45.285  347.398   66.442  237.632   61.886   18.870   1.8139   15.595   2.0442 3.274227 2.732979 
1 1 1  -22   14    9 o   43.923   0.6815  1874.55   58.070  1902.05   83.768  1849.10   80.572   44.232   0.9756   43.614   0.9517 0.6181831 1.362911 
1 1 1  -22   14   10 o   39.037   0.6949  1481.39   52.597  1489.62   76.354  1473.97   72.557   39.139   1.0050   38.936   0.9600 0.2029228 1.389814 
1 1 1  -22   14   11 o   36.110   0.7113  1272.17   49.678  1209.49   72.286  1328.27   68.386   35.260   1.0561   36.959   0.9532 -1.698765 1.422641 
1 1 1  -22   14   12 o   41.620   0.6763  1687.22   54.544  1627.69   78.602  1742.51   75.751   40.908   0.9898   42.332   0.9218 -1.424229 1.352625 
1 1 1  -22   14   13 f   23.576   0.9411  545.489   42.680  464.488   60.657  624.921   60.066   21.822   1.4319   25.329   1.2216 -3.506584 1.882217 
1 1 1  -22   14   14 o   51.563   0.8423  2587.28   75.581  2597.61  143.277  2583.30   88.966   51.591   1.4307   51.535   0.8893 0.5534363E-01 1.684544 
1 1 1  -22   14   15 o   29.958   1.1137  864.102   62.012  924.078  105.537  832.476   76.638   30.710   1.7704   29.206   1.3518 1.504293 2.227452 
1 1 1  -22   14   16 o   29.203   1.0917  813.291   59.619  911.299  100.947  760.794   73.881   30.494   1.7053   27.911   1.3636 2.583273 2.183497 
1 1 1  -22   14   17 o   47.778   0.8848  2213.06   81.298  2342.40  125.121  2118.56  106.951   48.963   1.3164   46.594   1.1825 2.368153 1.769530 
1 1 1  -22   14   18 o   51.410   0.9227  2612.84   90.882  2382.87  136.249  2797.18  121.985   49.312   1.4234   53.509   1.1744 -4.196781 1.845314 
1 1 1  -22   14   19 o   12.821   2.3007  173.976   55.589  176.378   93.890  172.680   68.979   12.822   3.6158   12.820   2.8459 0.1760483E-02 4.601491 
1 1 1  -22   14   20 o   19.549   1.5406  387.039   55.883  363.102   92.131  400.972   70.290   18.975   2.5012   20.123   1.7994 -1.148064 3.081224 
1 1 1  -22   14   21 o   7.0050   2.1664  -4.3476   54.140 -32.1245   93.997   9.4416   66.228   7.1746   3.2261   6.8354   2.8924 0.3391981 4.332825 
1 1 1  -22   14   22 o   11.406   2.1072  150.694   57.654  -4.3495  100.348  227.094   70.441   7.8663   3.4447   14.946   2.4280 -7.079566 4.214411 
1 1 1  -22   14   23 f   12.849   2.2286  175.681   54.289  211.647   86.905  152.662   69.524   13.857   3.2814   11.841   3.0164 2.016858 4.457119 
1 1 1  -22   14   24 o  10.0000   2.4713  100.487   54.672  112.296  104.811   96.072   64.080   10.501   3.8828   9.4993   3.0584 1.001305 4.942657 
1 1 1  -22   14   25 o   10.270   2.4153  118.166   55.369   89.990  100.828  130.331   66.252   9.7270   3.7594   10.812   3.0333 -1.085087 4.830515 
1 1 1  -22   15    1 o   34.761   0.8024  1176.28   54.030  1194.55   74.402  1155.89   78.589   35.049   1.0936   34.472   1.1744 0.5766830 1.604734 
1 1 1  -22   15    2 o   31.579   0.8405  970.013   51.525  966.646   72.988  973.359   72.748   31.524   1.1927   31.634   1.1847 -0.1097260 1.681076 
1 1 1  -22   15    3 o   19.042   1.2324  354.108   45.474  338.858   65.295  368.471   63.367   18.640   1.8046   19.444   1.6789 -0.8036976 2.464774 
1 1 1  -22   15    4 o   38.285   0.7420  1426.64   55.080  1372.20   78.769  1478.74   77.050   37.568   1.0801   39.003   1.0177 -1.434978 1.484025 
1 1 1  -22   15    5 o   24.795   0.9833  609.267   46.467  514.149   68.808  689.013   63.004   22.975   1.5428   26.614   1.2195 -3.639198 1.966609 
1 1 1  -22   15    6 o   48.913   0.6801  2325.33   64.574  2317.15   91.032  2333.62   91.612   48.826   0.9605   48.999   0.9632 -0.1730080 1.360201 
1 1 1  -22   15    7 o   13.877   1.6884  193.901   43.907  171.836   64.755  212.678   59.736   13.002   2.6554   14.752   2.0861 -1.749461 3.376794 
1 1 1  -22   15    8 o   42.571   0.6790  1761.52   56.105  1774.27   80.211  1749.31   78.506   42.722   0.9672   42.421   0.9534 0.3006477 1.358082 
1 1 1  -22   15    9 o   70.987   0.7298  4898.23  100.538  5016.67  144.068  4785.79  140.368   71.823   1.0333   70.151   1.0308 1.671852 1.459547 
1 1 1  -22   15   10 o   58.855   0.6807  3368.23   77.758  3370.27  110.968  3366.26  108.991   58.872   0.9710   58.839   0.9543 0.3319931E-01 1.361420 
1 1 1  -22   15   11 o   33.631   0.9757  1098.19   58.513  1092.04   69.974  1112.49  106.696   33.502   1.0760   33.761   1.6281 -0.2589912 1.951485 
1 1 1  -22   15   12 o   34.721   0.7335  1172.77   49.291  1175.96   72.592  1170.04   67.141   34.762   1.0758   34.681   0.9973 0.8123016E-01 1.466943 
1 1 1  -22   15   13 o   44.028   0.6766  1886.42   57.654  1877.72   84.742  1893.92   78.666   43.930   0.9937   44.127   0.9184 -0.1970100 1.353115 
1 1 1  -22   15   14 o   30.700   1.2617  910.601   74.556  1019.08  114.912  831.740   97.978   32.250   1.8356   29.150   1.7315 3.099478 2.523370 
1 1 1  -22   15   15 o   32.115   1.0862  996.530   63.980  1044.71  111.504  972.883   78.120   32.650   1.7593   31.580   1.2743 1.070236 2.172343 
1 1 1  -22   15   16 o   21.578   1.5076  478.940   57.249  409.028  101.623  511.442   69.289   20.296   2.5793   22.859   1.5615 -2.562662 3.015183 
1 1 1  -22   15   17 o   14.318   2.1058  222.003   54.222  174.424   93.799  245.881   66.449   12.871   3.6087   15.765   2.1713 -2.894421 4.211578 
1 1 1  -22   15   18 f   47.118   0.8854  2172.03   80.292  2167.70  121.687  2175.38  106.854   47.052   1.3323   47.184   1.1666 -0.1313095 1.770882 
1 1 1  -22   15   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   15   20 o   22.396   1.3854  516.940   55.367  447.975   96.215  551.084   67.700   21.124   2.3464   23.668   1.4735 -2.544579 2.770725 
1 1 1  -22   15   21 o   8.1568   2.2318   49.402   50.898   17.809   82.356   68.925   64.742   7.6984   3.2397   8.6153   3.0704 -0.9169044 4.463500 
1 1 1  -22   15   22 o   29.817   1.1827  872.687   64.984  915.522  112.037  850.969   79.775   30.260   1.9073   29.373   1.3991 0.8872395 2.365465 
1 1 1  -22   15   23 o   13.560   1.9931  188.173   47.219  212.388   89.022  178.693   55.700   13.838   3.3500   13.283   2.1603 0.5552607 3.986116 
1 1 1  -22   15   24 o   20.835   1.5505  410.193   57.158  527.577  110.560  367.375   66.773   22.547   2.5260   19.123   1.7988 3.424740 3.101059 
1 1 1  -22   15   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   16    1 o   29.473   0.8535  840.860   48.695  928.765   71.688  765.555   66.352   30.897   1.1953   28.050   1.2186 2.847097 1.706939 
1 1 1  -22   16    2 o   46.921   0.6982  2138.69   63.554  2101.73   88.013  2178.97   91.868   46.498   0.9751   47.343   0.9996 -0.8448448 1.396446 
1 1 1  -22   16    3 o   44.142   0.6941  1894.14   59.447  1973.95   84.470  1815.81   83.677   45.064   0.9656   43.219   0.9974 1.844990 1.388240 
1 1 1  -22   16    4 o   37.515   0.7174  1368.16   52.232  1369.97   74.559  1366.41   73.194   37.539   1.0232   37.491   1.0057 0.4780960E-01 1.434716 
1 1 1  -22   16    5 o   14.475   1.5593  203.590   43.634  180.282   59.280  231.150   64.460   13.574   2.2497   15.375   2.1597 -1.801024 3.118571 
1 1 1  -22   16    6 o   40.050   0.7047  1557.83   54.752  1600.62   79.161  1518.59   75.809   40.576   1.0050   39.524   0.9881 1.052429 1.409396 
1 1 1  -22   16    7 o   74.829   0.7489  5445.40  108.780  5412.89  154.368  5477.47  153.314   74.606   1.0659   75.052   1.0523 -0.4455643 1.497851 
1 1 1  -22   16    8 o   73.116   0.7395  5198.15  104.940  5243.66  150.003  5154.52  146.863   73.428   1.0524   72.803   1.0392 0.6249771 1.478991 
1 1 1  -22   16    9 o   34.898   0.7687  1184.91   51.986  1182.64   75.694  1186.94   71.522   34.864   1.1184   34.932   1.0547 -0.6798935E-01 1.537344 
1 1 1  -22   16   10 o   35.854   0.7274  1252.17   50.525  1217.79   73.184  1283.47   69.841   35.380   1.0656   36.327   0.9904 -0.9475136 1.454779 
1 1 1  -22   16   11 o   55.599   0.6593  3004.01   71.118  3070.94  102.524  2941.95   98.735   56.195   0.9399   55.004   0.9247 1.191151 1.318507 
1 1 1  -22   16   12 o   41.232   0.6644  1645.77   53.007  1748.75   78.884  1560.98   71.575   42.401   0.9584   40.063   0.9203 2.337624 1.328753 
1 1 1  -22   16   13 o   55.493   0.8393  2935.55   82.183  3154.64  154.752  2849.49   96.991   56.864   1.4020   54.123   0.9232 2.740963 1.678619 
1 1 1  -22   16   14 o   50.441   0.8363  2461.04   71.608  2518.12  141.812  2441.50   82.962   50.781   1.4386   50.101   0.8530 0.6797066 1.672528 
1 1 1  -22   16   15 o   24.653   1.3009  604.365   57.097  575.674  102.637  617.224   68.711   24.168   2.1877   25.137   1.4081 -0.9692192 2.601729 
1 1 1  -22   16   16 o   34.176   1.0142  1132.18   63.493  1171.87  110.606  1112.68   77.542   34.578   1.6478   33.773   1.1828 0.8050499 2.028362 
1 1 1  -22   16   17 o   25.585   1.2496  638.899   57.520  657.728  103.508  630.487   69.186   25.792   2.0674   25.378   1.4044 0.4142437 2.499282 
1 1 1  -22   16   18 o   25.223   1.2475  641.980   56.451  587.501   98.913  668.297   68.747   24.330   2.0944   26.117   1.3560 -1.787098 2.495014 
1 1 1  -22   16   19 o   7.8838   2.2732   23.844   52.426   60.375   90.823   5.5895   64.202   9.1024   3.5540   6.6652   2.8353 2.437181 4.546423 
1 1 1  -22   16   20 o   17.472   1.7344  302.874   56.015  323.217   96.208  292.442   68.897   17.817   2.7817   17.127   2.0723 0.6904697 3.468745 
1 1 1  -22   16   21 o   7.5097   2.2427   14.736   53.052   28.369   92.812   8.1202   64.657   8.3048   3.4632   6.7146   2.8505 1.590181 4.485409 
1 1 1  -22   16   22 o   18.684   1.7269  347.411   57.560  378.461  106.124  334.470   68.513   19.092   2.8635   18.276   1.9312 0.8160992 3.453870 
1 1 1  -22   16   23 o   23.736   1.2502  568.398   51.913  550.596   96.275  575.696   61.642   23.317   2.1270   24.155   1.3146 -0.8378944 2.500487 
1 1 1  -22   16   24 o   11.701   2.3942  160.068   55.587  121.659  107.654  174.032   64.910   10.731   3.9407   12.670   2.7204 -1.939040 4.788490 
1 1 1  -22   17    1 o   47.103   0.7075  2159.00   64.360  2174.12   86.901  2140.64   95.785   47.290   0.9466   46.916   1.0517 0.3744812 1.415028 
1 1 1  -22   17    2 f   28.285   0.9242  779.943   50.610  796.168   69.521  761.648   73.819   28.602   1.2521   27.968   1.3597 0.6337337 1.848418 
1 1 1  -22   17    3 o   51.465   0.6711  2574.87   67.037  2611.11   94.675  2538.43   94.936   51.829   0.9410   51.101   0.9571 0.7277870 1.342193 
1 1 1  -22   17    4 o   32.600   0.8056  1033.48   50.960  1025.26   70.887  1042.28   73.310   32.466   1.1248   32.733   1.1538 -0.2665939 1.611295 
1 1 1  -22   17    5 o   29.252   0.8772  832.397   49.782  872.906   71.089  793.415   69.736   29.951   1.2227   28.553   1.2582 1.398430 1.754442 
1 1 1  -22   17    6 o   50.334   0.6700  2463.52   65.451  2417.58   93.000  2508.61   92.128   49.868   0.9607   50.800   0.9342 -0.9323807 1.340077 
1 1 1  -22   17    7 o   42.500   0.6945  1756.36   57.294  1777.25   80.865  1735.31   81.188   42.754   0.9744   42.246   0.9900 0.5085640 1.389068 
1 1 1  -22   17    8 o   58.014   0.6679  3272.61   75.166  3261.66  108.174  3282.83  104.522   57.918   0.9622   58.109   0.9266 -0.1914444 1.335796 
1 1 1  -22   17    9 o   57.689   0.6685  3236.04   74.859  3219.42  105.563  3252.86  106.174   57.540   0.9451   57.839   0.9457 -0.2980270 1.336963 
1 1 1  -22   17   10 o   47.681   0.6479  2204.25   59.741  2280.60   89.002  2141.63   80.595   48.427   0.9468   46.934   0.8846 1.492966 1.295727 
1 1 1  -22   17   11 o   46.455   0.6620  2097.38   59.575  2119.83   87.331  2077.84   81.477   46.684   0.9637   46.225   0.9080 0.4591751 1.324074 
1 1 1  -22   17   12 o   74.818   0.7388  5446.83  107.245  5482.30  154.369  5413.73  149.103   75.051   1.0596   74.586   1.0298 0.4650116 1.477599 
1 1 1  -22   17   13 o   47.124   0.9096  2160.29   83.207   0.0000   0.0000  2160.29   83.207  ?   ?    47.124   0.9096      ?      ? 
1 1 1  -22   17   14 o   48.072   0.7982  2262.69   66.973  2226.45  125.704  2277.06   79.141   47.760   1.3559   48.383   0.8426 -0.6232452 1.596374 
1 1 1  -22   17   15 o   9.7424   2.3680   78.541   51.350  123.795   91.938   58.023   61.906   11.201   3.6676   8.2836   2.9964 2.917436 4.735968 
1 1 1  -22   17   16 o   29.563   1.0973  860.517   58.982  843.272  102.837  868.970   72.001   29.293   1.8085   29.834   1.2433 -0.5403404 2.194632 
1 1 1  -22   17   17 o   19.179   1.5992  364.271   56.027  369.148   97.472  361.865   68.468   19.200   2.6153   19.159   1.8410 0.4096603E-01 3.198320 
1 1 1  -22   17   18 o   14.158   2.0801  184.889   52.098  294.275   96.749  140.218   61.827   16.758   3.0880   11.558   2.7878 5.199111 4.160234 
1 1 1  -22   17   19 o   26.896   1.0733  700.927   55.048  770.833   87.982  655.957   70.566   27.954   1.6214   25.838   1.4069 2.115623 2.146689 
1 1 1  -22   17   20 o   18.145   1.8537  372.143   54.695  261.024   97.491  423.184   66.073   15.592   3.3227   20.699   1.6445 -5.106815 3.707383 
1 1 1  -22   17   21 o   25.063   1.2829  627.417   59.267  617.331  100.471  632.800   73.398   24.808   2.0863   25.318   1.4935 -0.5096817 2.565789 
1 1 1  -22   17   22 o   12.066   2.2960  152.348   48.486  168.794  103.043  147.671   54.950   12.305   3.8692   11.826   2.4732 0.4790869 4.592061 
1 1 1  -22   17   23 o   11.894   2.2474  155.277   49.570  152.581   93.625  156.327   58.432   11.684   3.6900   12.104   2.5666 -0.4199791 4.494795 
1 1 1  -22   17   24 o   33.922   1.0789  1142.18   62.024  1157.58  122.371  1136.86   71.951   33.856   1.8620   33.989   1.0905 -0.1332703 2.157846 
1 1 1  -22   18    1 o   27.732   0.9627  744.602   51.541  642.701   70.211  863.691   75.902   25.684   1.4083   29.781   1.3129 -4.097399 1.925371 
1 1 1  -22   18    2 o   24.138   1.0637  571.609   49.153  592.565   65.059  543.739   75.027   24.666   1.3587   23.610   1.6370 1.056419 2.127467 
1 1 1  -22   18    3 o   43.847   0.6995  1864.90   59.396  1809.02   80.758  1930.74   87.663   43.136   0.9645   44.559   1.0135 -1.423611 1.399044 
1 1 1  -22   18    4 o   7.0867   2.0330   15.649   44.633  -9.8911   62.144   42.861   64.145   6.2837   2.7321   7.8898   3.0113 -1.606101 4.066003 
1 1 1  -22   18    5 o   18.560   1.2017  333.642   43.006  283.572   58.377  393.068   63.597   17.044   1.7644   20.075   1.6320 -3.030853 2.403431 
1 1 1  -22   18    6 o   71.054   0.7323  4909.35  100.991  5006.90  143.775  4814.35  141.889   71.751   1.0323   70.357   1.0389 1.394127 1.464539 
1 1 1  -22   18    7 o   72.335   0.7356  5089.56  103.285  5066.05  146.934  5112.51  145.215   72.169   1.0488   72.501   1.0318 -0.3327103 1.471292 
1 1 1  -22   18    8 o   38.526   0.7170  1443.82   53.541  1440.11   77.794  1447.15   73.800   38.477   1.0416   38.575   0.9856 -0.9840775E-01 1.433938 
1 1 1  -22   18    9 o   28.010   0.8592  764.189   46.315  761.735   70.201  766.080   61.631   27.965   1.2932   28.056   1.1316 -0.9130096E-01 1.718425 
1 1 1  -22   18   10 o   29.628   0.8175  857.954   46.660  824.253   69.664  885.374   62.837   29.092   1.2336   30.164   1.0732 -1.071804 1.635059 
1 1 1  -22   18   11 o   37.707   0.7073  1386.41   51.460  1353.53   76.606  1413.44   69.467   37.293   1.0582   38.121   0.9388 -0.8273277 1.414584 
1 1 1  -22   18   12 o   24.182   0.9202  566.646   43.020  607.691   64.514  533.781   57.729   24.964   1.3313   23.401   1.2708 1.562447 1.840487 
1 1 1  -22   18   13 o   31.726   1.0366  975.429   54.126  997.618  112.168  968.694   61.797   31.907   1.8110   31.545   1.0092 0.3623638 2.073187 
1 1 1  -22   18   14 o   49.842   0.8472  2426.50   70.544  2413.61  142.102  2430.72   81.264   49.696   1.4730   49.988   0.8375 -0.2917824 1.694447 
1 1 1  -22   18   15 o   31.462   1.0657  959.648   60.027  991.067  109.140  946.023   71.874   31.781   1.7691   31.143   1.1889 0.6379070 2.131481 
1 1 1  -22   18   16 o   34.313   0.9512  1124.09   60.885  1247.79  103.531  1058.70   75.278   35.692   1.4943   32.934   1.1775 2.758942 1.902467 
1 1 1  -22   18   17 o   6.4692   2.0442 -19.7167   50.103 -73.4779   93.854   1.7104   59.252   6.5863   3.0582   6.3520   2.7134 0.2342634 4.088417 
1 1 1  -22   18   18 o   15.158   1.9736  220.673   51.734  277.742   99.198  199.351   60.633   16.180   3.2708   14.136   2.2096 2.043421 3.947213 
1 1 1  -22   18   19 o   16.508   1.6617  266.604   49.726  293.469   89.421  254.578   59.830   17.004   2.7091   16.012   1.9249 0.9924126 3.323330 
1 1 1  -22   18   20 o   7.8559   2.2304  -3.8593   52.073  103.940   94.285 -51.1730   62.463   10.369   3.7042   5.3428   2.4855 5.026089 4.460803 
1 1 1  -22   18   21 f   20.975   1.4989  452.826   55.997  413.792   99.013  471.182   67.898   20.139   2.5327   21.811   1.6037 -1.671606 2.997782 
1 1 1  -22   18   22 o   24.217   1.2816  599.903   50.973  558.771  102.894  613.280   58.680   23.462   2.2593   24.973   1.2105 -1.511395 2.563102 
1 1 1  -22   18   23 o   8.3909   2.1640   66.713   48.042 -17.3717   95.525   95.181   55.582   7.3558   3.2838   9.4259   2.8192 -2.070144 4.327940 
1 1 1  -22   18   24 o   26.223   1.3157  723.531   55.524  641.207  113.391  749.496   63.680   24.891   2.3467   27.555   1.1905 -2.663242 2.631460 
1 1 1  -22   19    1 o   32.962   0.8266  1067.53   52.302  1144.59   70.601  973.801   77.863   34.301   1.0603   31.623   1.2684 2.678125 1.653239 
1 1 1  -22   19    2 o   63.989   0.7117  3984.00   88.342  4041.99  123.277  3922.79  126.660   64.470   0.9851   63.507   1.0274 0.9631195 1.423357 
1 1 1  -22   19    3 o   21.469   1.1120  454.244   45.816  492.468   62.090  408.549   67.886   22.481   1.4228   20.458   1.7094 2.022791 2.224091 
1 1 1  -22   19    4 o   69.728   0.7273  4727.62   98.410  4687.52  137.220  4770.08  141.211   69.425   1.0182   70.030   1.0388 -0.6057510 1.454571 
1 1 1  -22   19    5 o   20.215   1.1849  402.521   46.022  457.479   64.126  344.146   66.089   21.661   1.5251   18.769   1.8139 2.891453 2.369843 
1 1 1  -22   19    6 o   9.6884   1.9265   91.112   41.600   31.878   59.418  148.065   58.262   7.3286   2.8710   12.048   2.5696 -4.719632 3.852933 
1 1 1  -22   19    7 o   9.8786   2.1224   97.123   44.307   93.798   63.662  100.247   61.704   9.7590   3.0368   9.9983   2.9658 -0.2393246 4.244787 
1 1 1  -22   19    8 o   42.381   0.6913  1742.03   56.764  1823.98   83.464  1671.51   77.428   43.305   0.9929   41.458   0.9621 1.846867 1.382552 
1 1 1  -22   19    9 o   31.598   0.7663  966.686   46.724  1014.84   70.704  929.353   62.255   32.290   1.1280   30.907   1.0377 1.383219 1.532695 
1 1 1  -22   19   10 o   33.248   0.7567  1077.54   48.646  1055.04   71.617  1096.81   66.283   32.921   1.1207   33.575   1.0170 -0.6540604 1.513324 
1 1 1  -22   19   11 o   12.441   1.7241  156.017   40.008  177.605   59.971  138.704   53.706   13.229   2.4247   11.653   2.4518 1.575830 3.448254 
1 1 1  -22   19   12 f   28.117   0.8187  768.980   44.555  785.851   65.857  754.741   60.503   28.398   1.1947   27.837   1.1197 0.5610180 1.637352 
1 1 1  -22   19   13 o   35.223   0.9725  1195.24   55.807  1240.56  117.778  1182.12   63.372   35.593   1.7046   34.852   0.9367 0.7411118 1.945042 
1 1 1  -22   19   14 o   15.979   1.7210  205.884   45.793  354.418  102.188  168.560   51.224   18.868   2.7900   13.091   2.0158 5.777278 3.442034 
1 1 1  -22   19   15 o   31.715   1.0736  965.733   60.910  1033.16  111.797  937.269   72.637   32.438   1.7755   30.992   1.2074 1.445765 2.147125 
1 1 1  -22   19   16 o   19.507   1.4654  361.596   51.469  416.158   94.741  338.750   61.305   20.451   2.3865   18.563   1.7013 1.887171 2.930829 
1 1 1  -22   19   17 o   16.471   1.7193  284.308   48.651  250.449   85.881  300.309   59.038   15.488   2.9645   17.454   1.7425 -1.966229 3.438662 
1 1 1  -22   19   18 o   8.8125   2.3734   55.019   49.942   86.055  100.677   44.889   57.517   10.047   3.7874   7.5785   2.8613 2.468025 4.746767 
1 1 1  -22   19   19 o   33.225   1.0064  1056.50   61.175  1170.24  108.396  1003.33   74.105   34.440   1.6214   32.009   1.1926 2.431118 2.012760 
1 1 1  -22   19   20 o   31.610   1.0681  1035.86   60.240  846.038  102.878  1134.90   74.312   29.180   1.8162   34.041   1.1246 -4.860378 2.136216 
1 1 1  -22   19   21 o   16.794   1.6265  264.459   44.807  327.653   96.902  247.273   50.534   17.803   2.8039   15.785   1.6492 2.018639 3.252993 
1 1 1  -22   19   22 o   19.094   1.5325  384.957   46.759  339.751   96.260  398.918   53.495   18.090   2.7412   20.099   1.3711 -2.008898 3.064996 
1 1 1  -22   19   23 o   40.080   0.9216  1609.47   64.054  1536.77  120.250  1638.27   75.686   39.274   1.5773   40.887   0.9536 -1.612511 1.843148 
1 1 1  -22   19   24 o   13.807   2.2713  229.615   53.806  170.711  112.801  246.965   61.220   12.048   4.0657   15.566   2.0261 -3.517926 4.542594 
1 1 1  -22   20    1 o   56.300   0.7053  3084.79   77.028  3153.65  107.864  3013.13  110.037   56.944   0.9758   55.656   1.0185 1.288124 1.410513 
1 1 1  -22   20    2 o   30.342   0.8859  899.515   51.916  931.571   70.732  862.078   76.440   30.936   1.1779   29.748   1.3237 1.187582 1.771880 
1 1 1  -22   20    3 o   45.536   0.7093  2011.37   62.467  1957.87   84.325  2076.44   92.991   44.870   0.9681   46.202   1.0369 -1.332054 1.418583 
1 1 1  -22   20    4 o   36.815   0.7525  1323.78   53.430  1370.92   72.346  1267.22   79.248   37.544   0.9927   36.086   1.1313 1.458920 1.505084 
1 1 1  -22   20    5 o   29.346   0.8328  835.854   47.352  800.830   64.576  876.591   69.643   28.684   1.1597   30.008   1.1956 -1.323524 1.665656 
1 1 1  -22   20    6 o   32.552   0.7878  1030.94   49.767  1021.95   69.465  1040.41   71.334   32.407   1.1042   32.697   1.1239 -0.2897797 1.575589 
1 1 1  -22   20    7 o   71.811   0.7310  5016.64  101.896  5015.62  143.225  5017.68  144.995   71.804   1.0276   71.817   1.0401 -0.1277161E-01 1.462052 
1 1 1  -22   20    8 o   31.915   0.7562  991.395   46.688  987.688   68.881  994.545   63.499   31.856   1.1139   31.973   1.0231 -0.1172924 1.512437 
1 1 1  -22   20    9 o   43.881   0.6698  1873.23   56.994  1759.84   80.132  1989.31   81.080   42.534   0.9705   45.227   0.9235 -2.692852 1.339692 
1 1 1  -22   20   10 o   27.160   0.8579  723.758   44.880  663.570   65.912  775.785   61.281   26.092   1.3013   28.228   1.1184 -2.135628 1.715883 
1 1 1  -22   20   11 f   4.8766   1.5964 -69.5640   38.725 -137.1499   55.681  -6.2498   53.893   3.8521   1.9148   5.9011   2.5550 -2.048993 3.192859 
1 1 1  -22   20   12 o   32.482   0.7219  1027.32   45.490  1023.87   65.420  1030.56   63.297   32.427   1.0393   32.537   1.0022 -0.1094513 1.443774 
1 1 1  -22   20   13 o   16.572   1.5291  257.646   44.516  301.185   85.885  241.652   52.055   17.438   2.5372   15.706   1.7074 1.731727 3.058179 
1 1 1  -22   20   14 o   18.955   1.5949  358.328   53.078  346.553   97.998  363.216   63.141   18.660   2.7054   19.250   1.6898 -0.5893192 3.189753 
1 1 1  -22   20   15 o   18.441   1.6828  343.933   50.658  325.188  103.726  349.804   58.052   17.991   2.9701   18.890   1.5831 -0.8992748 3.365633 
1 1 1  -22   20   16 o   26.876   1.1556  687.940   54.745  762.944  103.886  659.104   64.414   27.793   1.9256   25.958   1.2783 1.834499 2.311253 
1 1 1  -22   20   17 o   22.917   1.1561  504.376   49.939  569.789   82.953  467.194   62.542   24.023   1.7788   21.811   1.4772 2.212692 2.312212 
1 1 1  -22   20   18 o   11.019   2.3419  121.389   49.618  142.230   96.454  113.889   57.862   11.637   3.7528   10.402   2.8026 1.235694 4.683786 
1 1 1  -22   20   19 o   10.700   1.9553  135.470   50.558 -34.2365   96.061  200.488   59.459   7.2395   3.2577   14.160   2.1632 -6.920250 3.910505 
1 1 1  -22   20   20 o   14.406   1.9972  228.301   50.218  187.861   89.402  246.942   60.698   13.094   3.4638   15.718   1.9893 -2.623790 3.994419 
1 1 1  -22   20   21 o   11.235   2.2454  112.764   42.864  189.784   97.989   94.539   47.667   13.023   3.7015   9.4465   2.5431 3.576361 4.490892 
1 1 1  -22   20   22 o   7.6202   2.2038   31.270   45.823   44.558   92.487   26.947   52.753   8.5591   3.5018   6.6813   2.6767 1.877807 4.407678 
1 1 1  -22   20   23 o   10.354   2.2550  123.124   48.181   75.330   99.741  137.671   55.027   9.4043   3.7086   11.303   2.5665 -1.899068 4.510006 
1 1 1  -22   21    1 o   9.8603   2.2243   94.940   47.830   98.474   63.558   90.325   72.628   9.9402   3.0241   9.7803   3.2625 0.1598778 4.448511 
1 1 1  -22   21    2 o   46.059   0.6999  2065.19   62.452  2092.81   85.966  2034.32   90.879   46.389   0.9547   45.729   1.0238 0.6597061 1.399817 
1 1 1  -22   21    3 o   45.168   0.7117  1989.88   62.203  2072.54   85.794  1898.28   90.316   46.164   0.9574   44.171   1.0533 1.992527 1.423400 
1 1 1  -22   21    4 o   42.913   0.7017  1775.37   58.120  1649.76   77.342  1938.31   88.091   41.186   0.9674   44.639   1.0166 -3.452080 1.403318 
1 1 1  -22   21    5 o   31.962   0.8247  997.581   50.921  1031.79   69.439  957.782   74.897   32.562   1.0986   31.362   1.2303 1.199955 1.649368 
1 1 1  -22   21    6 o   47.379   0.6751  2182.03   62.072  2261.00   88.815  2106.64   86.787   48.217   0.9489   46.541   0.9606 1.676147 1.350261 
1 1 1  -22   21    7 o   61.583   0.6860  3688.49   81.975  3699.63  117.719  3678.00  114.221   61.672   0.9833   61.495   0.9568 0.1769676 1.372032 
1 1 1  -22   21    8 o   7.8394   2.0287   44.522   42.533   6.8293   62.433   77.164   58.101   6.7135   2.8227   8.9653   2.9146 -2.251787 4.057414 
1 1 1  -22   21    9 o   16.337   1.3617  263.987   42.737  236.460   62.888  287.609   58.257   15.525   2.0868   17.149   1.7500 -1.624253 2.723494 
1 1 1  -22   21   10 o   41.116   0.6626  1653.99   52.488  1555.10   77.772  1736.72   71.131   39.974   1.0023   42.258   0.8671 -2.284073 1.325296 
1 1 1  -22   21   11 o   28.322   0.7894  781.025   43.298  785.968   63.539  776.739   59.161   28.402   1.1525   28.242   1.0791 0.1605988 1.578827 
1 1 1  -22   21   12 o   7.8563   1.8486   38.259   38.151  108.281   57.260 -17.6412   51.161   10.270   2.7967   5.4427   2.4182 4.827219 3.697188 
1 1 1  -22   21   13 o   33.453   0.9464  1074.96   53.476  1128.74  107.348  1057.21   61.672   33.953   1.6288   32.953   0.9641 0.9996223 1.892724 
1 1 1  -22   21   14 o   19.592   1.4083  340.443   49.600  483.051   94.430  286.108   58.288   22.113   2.1999   17.072   1.7588 5.040619 2.816575 
1 1 1  -22   21   15 o   38.874   0.9382  1461.26   65.650  1522.48  118.446  1434.12   78.874   39.401   1.5486   38.346   1.0596 1.055336 1.876435 
1 1 1  -22   21   16 o   19.675   1.5448  374.577   51.055  405.421  103.781  364.729   58.642   20.083   2.6621   19.266   1.5680 0.8168125 3.089551 
1 1 1  -22   21   17 o   4.9023   1.6963 -101.0891   45.551 -136.1330   89.862 -88.9705   52.844   5.5958   2.7069   4.2087   2.0452 1.387053 3.392686 
1 1 1  -22   21   18 o   15.749   1.6806  224.327   47.486  318.529   90.736  188.795   55.727   17.736   2.6355   13.762   2.0861 3.974484 3.361179 
1 1 1  -22   21   19 o   9.6949   2.1659  103.278   49.837  -5.1347   99.378  139.704   57.605   7.8748   3.4388   11.515   2.6342 -3.640189 4.331785 
1 1 1  -22   21   20 o   21.215   1.3070  454.711   49.553  432.014   88.208  465.178   59.899   20.709   2.1943   21.720   1.4206 -1.011827 2.614015 
1 1 1  -22   21   21 f   11.503   2.2000  136.827   42.380  149.412   98.946  134.000   46.899   11.673   3.8039   11.333   2.2113 0.3404179 4.399939 
1 1 1  -22   21   22 o   16.795   1.5671  258.561   44.537  349.349   93.516  231.929   50.650   18.353   2.6250   15.237   1.7124 3.115372 3.134122 
1 1 1  -22   21   23 f   10.787   2.0228  145.659   47.168   26.984   96.045  183.380   54.148   8.1628   3.4700   13.411   2.0800 -5.247943 4.045632 
1 1 1  -22   22    1 o   51.117   0.7069  2543.33   70.068  2570.25   97.163  2514.17  101.138   51.402   0.9738   50.832   1.0250 0.5700417 1.413791 
1 1 1  -22   22    2 o   68.917   0.7397  4621.91   98.944  4702.80  139.976  4541.14  139.880   69.521   1.0372   68.313   1.0548 1.208313 1.479363 
1 1 1  -22   22    3 o   46.517   0.7033  2100.42   63.305  2051.03   85.745  2159.60   93.857   45.921   0.9619   47.113   1.0263 -1.192764 1.406585 
1 1 1  -22   22    4 o   9.3964   2.1422   81.194   44.549   59.349   58.408  111.575   68.881   8.2630   2.9194   10.530   3.1359 -2.266651 4.284457 
1 1 1  -22   22    5 o   37.528   0.7330  1372.93   53.279  1463.10   74.884  1280.51   75.819   38.782   0.9947   36.274   1.0768 2.507603 1.465904 
1 1 1  -22   22    6 o   44.181   0.6723  1897.80   57.638  1873.18   80.242  1924.05   82.845   43.886   0.9419   44.476   0.9596 -0.5902138 1.344613 
1 1 1  -22   22    7 o   19.958   1.1786  390.078   45.556  368.276   65.345  410.695   63.545   19.409   1.7344   20.508   1.5962 -1.098637 2.357135 
1 1 1  -22   22    8 o   48.550   0.6633  2293.11   62.500  2276.21   89.108  2309.48   87.687   48.372   0.9490   48.727   0.9270 -0.3547897 1.326633 
1 1 1  -22   22    9 o   56.924   0.6677  3150.46   73.700  3196.34  107.001  3109.04  101.660   57.316   0.9617   56.533   0.9264 0.7830658 1.335311 
1 1 1  -22   22   10 o   24.628   0.9008  593.936   42.822  562.934   62.976  620.598   58.403   24.021   1.3506   25.235   1.1922 -1.214703 1.801520 
1 1 1  -22   22   11 o   31.829   0.7379  984.912   45.426  1005.12   67.480  968.165   61.431   32.123   1.0822   31.535   1.0035 0.5881863 1.475857 
1 1 1  -22   22   12 o   50.682   0.6344  2496.47   62.257  2541.71   91.698  2457.79   84.796   51.103   0.9244   50.260   0.8691 0.8426666 1.268809 
1 1 1  -22   22   13 o   54.440   0.8667  2886.97   81.047  2901.88  156.889  2881.54   94.655   54.469   1.4838   54.410   0.8962 0.5837250E-01 1.733452 
1 1 1  -22   22   14 o   25.509   1.2134  652.277   54.040  607.928   99.796  670.676   64.280   24.815   2.0717   26.203   1.2637 -1.388151 2.426707 
1 1 1  -22   22   15 o   27.838   0.9808  746.475   50.904  803.385   86.123  715.917   63.108   28.609   1.5508   27.067   1.2011 1.541672 1.961509 
1 1 1  -22   22   16 o   36.018   0.9603  1259.22   61.128  1301.40  113.653  1242.05   72.509   36.367   1.6099   35.669   1.0472 0.6984177 1.920558 
1 1 1  -22   22   17 o   7.9198   2.2147   43.266   45.920   16.752   95.001   51.350   52.455   8.1891   3.4646   7.6505   2.7596 0.5385680 4.429339 
1 1 1  -22   22   18 o   34.882   0.9208  1224.43   58.172  1103.71   99.799  1286.56   71.593   33.474   1.5359   36.290   1.0163 -2.816311 1.841670 
1 1 1  -22   22   19 o   16.338   2.0042  311.773   47.728  223.989  103.817  335.298   53.744   14.238   3.7166   18.437   1.5016 -4.199787 4.008448 
1 1 1  -22   22   20 o   16.062   1.4966  218.402   39.815  346.474   88.729  186.112   44.553   18.433   2.4797   13.690   1.6765 4.743164 2.993252 
1 1 1  -22   22   21 f   16.262   1.6682  187.705   42.394  466.602  103.200  131.086   46.498   21.327   2.4927   11.197   2.2178 10.13046 3.336494 
1 1 1  -22   22   22 o   15.166   1.6999  188.792   42.970  362.780   93.306  141.958   48.410   18.702   2.5701   11.629   2.2255 7.072893 3.399800 
1 1 1  -22   22   23 o   16.446   1.9834  319.509   48.397  241.078  102.446  342.042   54.911   14.379   3.6607   18.513   1.5280 -4.133985 3.966783 
1 1 1  -22   23    1 o   91.114   0.8616  8087.48  152.360  8054.76  213.059  8121.74  217.964   90.929   1.2071   91.300   1.2298 -0.3708420 1.723238 
1 1 1  -22   23    2 o   6.8032   1.8919 -24.0914   43.188 -96.9999   56.365   79.570   67.209   4.3508   2.1138   9.2557   3.1383 -4.904947 3.783764 
1 1 1  -22   23    3 o   19.824   1.1671  383.290   44.638  378.046   59.726  389.926   67.188   19.677   1.5636   19.970   1.7332 -0.2932110 2.334270 
1 1 1  -22   23    4 o   21.925   1.0466  469.870   44.225  476.208   59.332  461.945   66.342   22.099   1.3831   21.751   1.5712 0.3480968 2.093265 
1 1 1  -22   23    5 o   25.177   0.9621  625.476   46.435  687.935   63.127  551.833   68.546   26.574   1.2237   23.780   1.4849 2.794012 1.924191 
1 1 1  -22   23    6 o   18.575   1.2357  334.128   44.313  306.121   59.027  370.298   67.080   17.694   1.7185   19.456   1.7761 -1.761707 2.471426 
1 1 1  -22   23    7 o   35.016   0.7461  1188.90   50.610  1121.05   68.954  1268.15   74.517   33.938   1.0467   36.094   1.0635 -2.156269 1.492195 
1 1 1  -22   23    8 o   49.541   0.6523  2388.08   62.723  2360.23   89.276  2415.23   88.142   49.255   0.9337   49.828   0.9113 -0.5733376 1.304696 
1 1 1  -22   23    9 o   39.304   0.6712  1504.40   51.166  1439.75   72.643  1568.04   72.079   38.463   0.9730   40.145   0.9249 -1.682243 1.342439 
1 1 1  -22   23   10 o   8.7722   1.9987   74.571   38.740   80.780   55.380   68.622   54.211   9.0441   2.8353   8.5003   2.8179 0.5438213 3.997433 
1 1 1  -22   23   11 o   16.998   1.1495  283.094   37.757  279.390   55.928  286.195   51.181   16.888   1.7060   17.107   1.5412 -0.2189121 2.299092 
1 1 1  -22   23   12 o   12.643   1.5339  163.974   35.943  127.858   52.383  196.107   49.411   11.150   2.4839   14.136   1.8006 -2.986945 3.067888 
1 1 1  -22   23   13 o   25.734   1.2118  611.817   48.502  715.328  112.049  587.950   53.804   26.916   2.1446   24.553   1.1288 2.362085 2.423529 
1 1 1  -22   23   14 o   20.818   1.4106  392.419   50.183  505.444  103.168  357.387   57.436   22.547   2.3571   19.089   1.5500 3.458511 2.821123 
1 1 1  -22   23   15 o   7.5486   2.0218   38.247   44.370 -40.6947   79.285   74.242   53.538   6.4336   2.9210   8.6636   2.7962 -2.229951 4.043607 
1 1 1  -22   23   16 o   21.550   1.3579  463.450   49.373  453.463   97.281  466.914   57.302   21.281   2.3549   21.820   1.3529 -0.5384789 2.715820 
1 1 1  -22   23   17 o   12.890   2.1590  155.457   46.723  224.786   98.195  135.167   53.122   14.399   3.5383   11.381   2.4750 3.018348 4.318048 
1 1 1  -22   23   18 o   21.100   1.3018  445.635   48.301  432.263   88.955  451.226   57.518   20.773   2.2060   21.427   1.3829 -0.6536484 2.603558 
1 1 1  -22   23   19 o   13.336   2.0909  190.396   39.977  178.855  103.817  192.405   43.318   12.727   3.8634   13.944   1.6003 -1.217389 4.181737 
1 1 1  -22   23   20 o   25.213   1.0620  603.164   41.940  673.714   94.824  586.006   46.762   25.956   1.8820   24.470   0.9844 1.485485 2.123916 
1 1 1  -22   23   21 o   12.344   2.1211  179.542   40.805  123.521  104.964  189.516   44.288   10.892   3.9065   13.795   1.6538 -2.903308 4.242201 
1 1 1  -22   23   22 o   9.1583   2.1846   86.828   41.751   70.775   90.645   91.150   47.037   9.1002   3.5513   9.2164   2.5452 -0.1162577 4.369149 
1 1 1  -22   23   23 o   9.2181   2.3266   52.851   45.352  168.302  101.776   24.247   50.660   11.994   3.8536   6.4425   2.6082 5.551026 4.653290 
1 1 1  -22   24    1 o   51.230   0.7045  2553.67   70.046  2523.14   97.904  2585.69  100.259   50.917   0.9905   51.543   1.0020 -0.6256714 1.408986 
1 1 1  -22   24    2 f   60.685   0.7049  3582.97   82.994  3558.07  115.315  3609.74  119.542   60.469   0.9824   60.901   1.0112 -0.4328346 1.409825 
1 1 1  -22   24    3 o   16.498   1.4564  271.513   45.779  298.302   61.256  237.623   68.898   17.456   1.8077   15.541   2.2839 1.915708 2.912741 
1 1 1  -22   24    4 o   42.049   0.7064  1713.41   57.459  1640.49   77.465  1802.61   85.671   41.061   0.9719   43.036   1.0255 -1.975105 1.412856 
1 1 1  -22   24    5 o   19.723   1.2009  380.580   45.955  386.955   64.392  373.963   65.606   19.894   1.6674   19.552   1.7286 0.3421440 2.401722 
1 1 1  -22   24    6 o   29.241   0.8530  832.886   48.384  789.191   67.762  878.334   69.107   28.457   1.2267   30.026   1.1857 -1.568182 1.706040 
1 1 1  -22   24    7 o   16.644   1.3753  272.955   44.155  306.187   62.222  239.244   62.670   17.681   1.8129   15.607   2.0685 2.073217 2.750574 
1 1 1  -22   24    8 o   12.129   1.8498  149.896   43.446  197.980   61.870  103.120   61.023   14.179   2.2479   10.079   2.9384 4.099945 3.699672 
1 1 1  -22   24    9 o   33.766   0.7307  1111.55   47.837  1067.38   68.368  1153.91   66.958   33.105   1.0639   34.428   1.0019 -1.322384 1.461393 
1 1 1  -22   24   10 o   43.305   0.6461  1820.72   54.198  1888.20   79.769  1762.86   73.865   44.046   0.9330   42.564   0.8940 1.482174 1.292143 
1 1 1  -22   24   11 o   62.452   0.6588  3796.67   79.861  3761.28  113.008  3831.98  112.873   62.160   0.9366   62.743   0.9267 -0.5833473 1.317560 
1 1 1  -22   24   12 o   15.284   1.6306  216.106   43.694  266.912   85.455  198.122   50.842   16.369   2.6894   14.200   1.8445 2.169360 3.261160 
1 1 1  -22   24   13 o   21.999   1.3648  467.405   45.871  492.711  105.790  461.545   50.905   22.257   2.4486   21.741   1.2062 0.5152225 2.729579 
1 1 1  -22   24   14 o   32.915   1.0490  1085.10   58.701  1015.17  113.211  1110.81   68.650   32.089   1.8175   33.742   1.0481 -1.652748 2.098043 
1 1 1  -22   24   15 o   17.102   1.5970  259.896   46.425  360.899   97.433  230.229   52.805   18.931   2.6514   15.273   1.7811 3.658238 3.194080 
1 1 1  -22   24   16 o   9.9355   2.1439  105.160   44.182   75.275   81.401  117.641   52.606   9.2772   3.4235   10.594   2.5817 -1.316582 4.287860 
1 1 1  -22   24   17 o   24.461   1.2533  589.864   51.326  596.764  103.206  587.597   59.161   24.436   2.1757   24.486   1.2447 -0.4996681E-01 2.506567 
1 1 1  -22   24   18 o   22.907   1.1443  490.153   46.883  592.981   88.203  449.661   55.349   24.423   1.8604   21.391   1.3329 3.031691 2.288653 
1 1 1  -22   24   19 o   14.493   2.0383  230.170   39.755  206.351  104.724  234.181   42.971   13.580   3.8150   15.407   1.4368 -1.826777 4.076617 
1 1 1  -22   24   20 o   9.5613   2.0978   96.943   39.265   78.854   84.107  101.984   44.401   9.2981   3.4703   9.8245   2.3581 -0.5264034 4.195662 
1 1 1  -22   24   21 o   11.718   2.2335  136.948   41.603  170.746  104.705  130.612   45.335   12.263   3.9054   11.173   2.1684 1.089128 4.466967 
1 1 1  -22   24   22 o   16.608   1.8754  329.471   42.438  236.959   97.531  351.078   47.134   14.377   3.5224   18.839   1.2889 -4.461829 3.750775 
1 1 1  -22   25    1 f   43.403   0.6972  1829.88   58.624  1777.38   79.981  1890.84   86.180   42.734   0.9642   44.072   1.0074 -1.337376 1.394399 
1 1 1  -22   25    2 o   67.883   0.7280  4485.89   95.894  4472.88  133.715  4499.66  137.598   67.785   1.0162   67.982   1.0427 -0.1972656 1.455978 
1 1 1  -22   25    3 o   33.787   0.7828  1113.53   51.219  1203.74   72.494  1023.62   72.374   35.161   1.0621   32.414   1.1502 2.746193 1.565619 
1 1 1  -22   25    4 o   17.193   1.3557  290.077   45.147  292.810   61.988  286.989   65.885   17.286   1.8474   17.100   1.9848 0.1852818 2.711472 
1 1 1  -22   25    5 o   12.209   1.7717  156.305   42.774  254.122   60.727   59.986   60.260   16.095   1.9437   8.3241   2.9627 7.770499 3.543379 
1 1 1  -22   25    6 o   27.950   0.8949  761.257   48.518  750.173   67.133  773.375   70.198   27.739   1.2468   28.160   1.2842 -0.4218445 1.789835 
1 1 1  -22   25    7 o   37.864   0.7212  1395.17   52.961  1481.42   75.760  1312.74   74.066   39.010   1.0005   36.718   1.0391 2.292316 1.442487 
1 1 1  -22   25    8 o   18.825   1.2046  347.030   44.012  347.311   61.654  346.739   62.847   18.834   1.6864   18.815   1.7207 0.1887703E-01 2.409294 
1 1 1  -22   25    9 f   24.411   0.9153  579.163   43.282  628.989   63.450  535.800   59.192   25.390   1.2874   23.432   1.3013 1.957514 1.830521 
1 1 1  -22   25   10 o   30.778   0.7529  923.114   44.884  919.305   65.567  926.472   61.573   30.714   1.0997   30.841   1.0285 -0.1272888 1.505708 
1 1 1  -22   25   11 o   19.969   1.0429  389.629   40.376  398.228   58.856  381.985   55.492   20.174   1.5029   19.764   1.4464 0.4098663 2.085831 
1 1 1  -22   25   12 o   32.542   0.9046  1042.44   50.966  1016.81   96.662  1052.31   59.981   32.214   1.5458   32.869   0.9401 -0.6552887 1.809172 
1 1 1  -22   25   13 o   21.953   1.1885  449.290   43.111  521.539   91.390  428.612   48.893   22.961   2.0504   20.945   1.2025 2.016087 2.377012 
1 1 1  -22   25   14 o   27.618   1.1407  708.998   52.527  832.182  110.144  672.737   59.760   29.000   1.9566   26.235   1.1734 2.764477 2.281493 
1 1 1  -22   25   15 o   29.890   1.0616  852.670   53.883  932.113  108.200  826.471   62.136   30.700   1.8156   29.080   1.1008 1.620403 2.123233 
1 1 1  -22   25   16 o   25.001   1.0714  574.411   47.094  713.807   91.805  524.630   54.862   26.860   1.7607   23.142   1.2213 3.718599 2.142796 
1 1 1  -22   25   17 o   16.785   1.7165  256.777   46.997  337.069  103.766  236.057   52.714   18.130   2.9484   15.441   1.7587 2.689558 3.433087 
1 1 1  -22   25   18 o   10.264   2.1322   67.744   36.918  205.333   93.686   42.452   40.168   13.678   3.5107   6.8490   2.4209 6.829246 4.264472 
1 1 1  -22   25   19 f   6.4265   1.9761   11.272   37.243 -71.7685  101.574   24.170   40.031   6.8186   3.1712   6.0345   2.3586 0.7840729 3.952108 
1 1 1  -22   25   20 o   14.540   1.9030  249.138   39.667  180.201   90.663  265.458   44.114   12.688   3.5445   16.393   1.3863 -3.704978 3.805935 
1 1 1  -22   25   21 o   8.2312   2.2375   22.647   38.104  135.042  101.641   4.2677   41.102   11.121   3.8564   5.3416   2.2703 5.779178 4.475091 
1 1 1  -22   25   22 o   12.753   2.0385  193.827   42.260  140.716   93.784  207.359   47.339   11.137   3.7070   14.369   1.6972 -3.232455 4.077028 
1 1 1  -22   26    1 o   48.375   0.7068  2280.29   66.300  2326.19   92.207  2231.16   95.399   48.884   0.9717   47.867   1.0267 1.017139 1.413619 
1 1 1  -22   26    2 f   52.011   0.6920  2634.95   69.732  2660.32   95.941  2606.53  101.529   52.282   0.9453   51.741   1.0109 0.5413551 1.384016 
1 1 1  -22   26    3 o   11.094   1.8797  117.407   44.960   40.088   61.060  208.971   66.447   7.6365   2.9325   14.551   2.3524 -6.914738 3.759397 
1 1 1  -22   26    4 o   34.046   0.7541  1129.86   49.644  1139.55   67.440  1118.39   73.347   34.211   1.0155   33.881   1.1152 0.3300362 1.508287 
1 1 1  -22   26    5 o   5.9459   1.8456 -21.0749   42.707   12.457   57.134 -63.5302   64.289   6.5898   2.7300   5.3021   2.4845 1.287671 3.691286 
1 1 1  -22   26    6 f   46.454   0.6747  2101.97   60.791  2160.58   85.135  2040.99   86.834   47.118   0.9308   45.789   0.9769 1.328724 1.349360 
1 1 1  -22   26    7 o   48.283   0.6670  2267.81   62.488  2229.72   86.872  2308.64   89.952   47.864   0.9350   48.701   0.9515 -0.8373375 1.333993 
1 1 1  -22   26    8 o   21.073   1.0408  432.692   42.481  414.796   57.790  453.729   62.658   20.603   1.4450   21.543   1.4983 -0.9397888 2.081551 
1 1 1  -22   26    9 f   7.8653   2.0087   50.400   40.211   28.716   57.901   70.601   55.886   7.1207   2.8200   8.6099   2.8614 -1.489103 4.017479 
1 1 1  -22   26   10 o   45.189   0.6651  1988.30   58.341  2002.49   82.485  1974.11   82.529   45.351   0.9370   45.027   0.9442 0.3236122 1.330196 
1 1 1  -22   26   11 o   24.844   0.8797  602.856   42.414  595.894   60.477  609.594   59.501   24.701   1.2613   24.988   1.2267 -0.2865200 1.759414 
1 1 1  -22   26   12 o   10.314   2.1759  119.269   49.377   18.927   99.422  152.122   56.889   8.4837   3.5643   12.144   2.4967 -3.660273 4.351734 
1 1 1  -22   26   13 o   25.332   1.1165  610.445   45.445  666.961   98.864  595.304   51.172   25.968   1.9613   24.696   1.0674 1.271713 2.232919 
1 1 1  -22   26   14 o   7.3504   2.0380   33.451   44.348 -93.4714   98.632   65.613   49.650   6.5044   3.0573   8.1963   2.6957 -1.691950 4.076018 
1 1 1  -22   26   15 f   23.678   1.2839  521.881   49.501  618.239  107.514  495.960   55.763   24.863   2.2277   22.493   1.2771 2.369860 2.567798 
1 1 1  -22   26   16 o   7.9444   2.1646   45.272   42.822   53.006   83.559   42.517   49.869   8.6762   3.4030   7.2126   2.6761 1.463557 4.329178 
1 1 1  -22   26   17 f   22.745   1.3075  481.243   48.181  575.794  105.560  456.362   54.151   23.931   2.2724   21.559   1.2939 2.372047 2.614943 
1 1 1  -22   26   18 o   21.467   1.2477  415.170   36.869  523.029  100.755  398.495   39.616   22.752   2.2813   20.181   1.0112 2.570808 2.495358 
1 1 1  -22   26   19 o   15.500   1.9986  289.349   38.423  204.339  103.939  302.805   41.352   13.450   3.8085   17.550   1.2138 -4.100171 3.997214 
1 1 1  -22   26   20 o   23.354   1.1380  514.810   39.970  588.322   95.701  499.278   43.990   24.138   2.0425   22.571   1.0040 1.567051 2.275910 
1 1 1  -22   26   21 o   12.446   1.7675  155.537   42.701   0.0000   0.0000  155.537   42.701  ?   ?    12.446   1.7675      ?      ? 
1 1 1  -22   26   22 o   9.2228   2.2175   81.110   39.897  105.976   92.151   75.373   44.260   10.040   3.6521   8.4059   2.5161 1.633845 4.434921 
1 1 1  -22   27    1 o   27.040   0.9420  715.152   49.349  751.068   68.975  677.484   70.636   27.743   1.2808   26.337   1.3816 1.405640 1.883967 
1 1 1  -22   27    2 o   46.106   0.7075  2067.92   63.292  1998.99   87.908  2142.12   91.199   45.309   0.9995   46.903   1.0017 -1.593727 1.415036 
1 1 1  -22   27    3 o   72.419   0.7472  5108.19  105.032  5083.52  147.756  5133.38  149.331   72.243   1.0536   72.595   1.0597 -0.3519974 1.494350 
1 1 1  -22   27    4 o   26.209   0.9250  670.859   46.967  724.650   66.767  618.167   66.082   27.255   1.2620   25.163   1.3528 2.091492 1.850073 
1 1 1  -22   27    5 o   68.731   0.7202  4599.21   96.074  4506.47  134.709  4695.21  137.059   68.026   1.0201   69.437   1.0168 -1.410629 1.440357 
1 1 1  -22   27    6 o   27.346   0.8542  723.673   45.163  812.644   67.212  650.431   60.982   28.868   1.1994   25.825   1.2165 3.043127 1.708316 
1 1 1  -22   27    7 f   27.573   0.8546  740.786   45.720  719.101   63.411  764.263   65.980   27.154   1.2030   27.992   1.2143 -0.8384304 1.709280 
1 1 1  -22   27    8 o   14.521   1.4301  209.485   39.896  236.770   55.441  180.180   57.457   15.528   1.8392   13.513   2.1903 2.014810 2.860122 
1 1 1  -22   27    9 o   32.288   0.7526  1015.96   47.168  1012.00   66.144  1020.06   67.282   32.225   1.0574   32.351   1.0714 -0.1263618 1.505292 
1 1 1  -22   27   10 o   21.591   0.9925  456.300   41.480  500.491   59.142  413.517   58.192   22.628   1.3465   20.555   1.4584 2.072430 1.984907 
1 1 1  -22   27   11 o   12.248   1.6589  156.626   38.039   94.306   53.743  219.192   53.849   9.5797   2.7474   14.915   1.8598 -5.335646 3.317736 
1 1 1  -22   27   12 o   17.655   1.8210  306.142   48.356  334.251  109.370  299.312   53.911   17.857   3.2760   17.454   1.5912 0.4028511 3.641941 
1 1 1  -22   27   13 o   20.543   1.3958  402.915   47.030  447.080   99.610  390.246   53.350   21.134   2.4280   19.952   1.3775 1.182674 2.791556 
1 1 1  -22   27   14 o   7.2103   2.1398   17.182   46.004   11.332   89.002   19.315   53.740   7.8563   3.3400   6.5642   2.6756 1.292070 4.279581 
1 1 1  -22   27   15 o   35.173   0.9870  1195.31   59.330  1258.00  116.927  1173.57   68.852   35.686   1.6879   34.660   1.0234 1.026508 1.973901 
1 1 1  -22   27   16 o   14.758   1.7652  192.105   42.267  289.150   92.362  166.399   47.536   16.572   2.9806   12.943   1.8921 3.629672 3.530461 
1 1 1  -22   27   17 o   10.561   2.1220   71.315   34.594  214.911   96.474   50.126   37.058   13.983   3.5484   7.1390   2.3280 6.843497 4.243957 
1 1 1  -22   27   18 o   17.864   1.5085  283.423   36.880  379.480  102.552  269.155   39.525   19.178   2.7547   16.549   1.2304 2.629303 3.016939 
1 1 1  -22   27   19 o   14.387   1.7745  144.538   36.785  347.316  103.854  115.448   39.335   18.214   2.9373   10.560   1.9920 7.653932 3.549067 
1 1 1  -22   27   20 o   18.491   1.3534  305.872   38.145  410.766   92.812  284.553   41.843   19.999   2.3908   16.984   1.2692 3.014864 2.706789 
1 1 1  -22   27   21 o   14.331   1.9401  168.484   38.932  312.035  107.359  146.747   41.776   16.590   3.4464   12.073   1.7826 4.517138 3.880113 
1 1 1  -22   28    1 o   45.537   0.8034  2033.09   69.849  1956.40  107.962  2088.30   91.603   44.774   1.2422   46.300   1.0192 -1.525833 1.606792 
1 1 1  -22   28    2 f   11.587   1.8966  142.372   45.084  208.372   61.217   64.143   66.647   14.534   2.1698   8.6394   3.1114 5.894912 3.793209 
1 1 1  -22   28    3 o   41.787   0.7051  1697.25   57.077  1652.59   77.824  1749.23   83.963   41.197   0.9732   42.377   1.0207 -1.180592 1.410253 
1 1 1  -22   28    4 o   12.522   1.7461  157.826   41.462  113.027   56.663  209.456   60.831   10.468   2.7521   14.576   2.1499 -4.107873 3.492275 
1 1 1  -22   28    5 o   10.205   1.9629  108.142   41.691  145.362   56.888   64.960   61.276   11.891   2.5417   8.5195   2.9920 3.371034 3.925881 
1 1 1  -22   28    6 o   21.636   1.0670  458.211   44.748  489.534   63.552  427.414   63.016   22.375   1.4632   20.897   1.5535 1.477625 2.134061 
1 1 1  -22   28    7 o   41.547   0.6870  1681.46   55.386  1697.35   77.449  1664.82   79.237   41.750   0.9556   41.344   0.9873 0.4065437 1.374053 
1 1 1  -22   28    8 o   75.226   0.7568  5515.21  110.509  5446.10  155.117  5586.45  157.477   74.748   1.0690   75.704   1.0716 -0.9562302 1.513670 
1 1 1  -22   28    9 o   44.346   0.6571  1914.63   56.550  1950.55   80.952  1880.39   79.029   44.751   0.9319   43.940   0.9265 0.8112907 1.314103 
1 1 1  -22   28   10 o   41.453   0.6379  1673.02   51.321  1706.65   73.611  1641.22   71.588   41.857   0.9060   41.048   0.8984 0.8089790 1.275899 
1 1 1  -22   28   11 o   8.3139   1.9535   66.412   36.963   74.681   52.442   58.249   52.106   8.6699   2.7642   7.9579   2.7611 0.7119832 3.906940 
1 1 1  -22   28   12 o   28.069   1.2256  821.146   52.648  703.576  114.713  852.519   59.257   26.584   2.2230   29.555   1.0329 -2.971333 2.451208 
1 1 1  -22   28   13 o   41.339   0.8966  1621.41   63.426  1786.48  126.156  1565.57   73.373   42.618   1.5249   40.060   0.9436 2.557938 1.793253 
1 1 1  -22   28   14 o   13.449   2.1254  199.138   49.870  161.990   96.401  212.712   58.274   12.285   3.7215   14.613   2.0543 -2.328507 4.250799 
1 1 1  -22   28   15 o   16.751   1.8180  269.236   46.905  321.143  104.932  256.275   52.435   17.396   3.2261   16.107   1.6771 1.289654 3.635988 
1 1 1  -22   28   16 o   10.829   2.1930  116.728   41.429  133.742   93.804  112.605   46.176   11.279   3.7051   10.379   2.3470 0.9001732 4.385931 
1 1 1  -22   28   17 o   10.241   2.1020   83.539   32.089  161.076   92.401   72.906   34.219   12.120   3.6371   8.3624   2.1085 3.757895 4.204081 
1 1 1  -22   28   18 o   7.3318   1.9936   45.693   33.279 -33.1366   98.846   55.772   35.343   7.2780   3.2870   7.3856   2.2569 -0.1076384 3.987222 
1 1 1  -22   28   19 o   12.825   1.9868  123.006   34.136  271.531  102.566  104.505   36.199   15.602   3.4755   10.047   1.9262 5.555579 3.973625 
1 1 1  -22   28   20 o   18.022   1.3691  310.085   35.339  355.820   89.719  301.686   38.447   18.535   2.4936   17.510   1.1311 1.025187 2.738168 
1 1 1  -22   28   21 o   12.315   2.1640  118.511   36.838  261.528  109.028  100.080   39.140   14.912   3.7657   9.7182   2.1333 5.193587 4.327987 
1 1 1  -22   29    1 o   20.603   1.1630  416.144   46.499  405.202   64.964  427.638   66.586   20.325   1.6466   20.881   1.6428 -0.5556278 2.325916 
1 1 1  -22   29    2 o   73.795   0.7550  5306.53  108.135  5231.53  150.972  5385.55  154.958   73.261   1.0616   74.328   1.0740 -1.066963 1.510099 
1 1 1  -22   29    3 o   9.0211   1.9914   79.141   41.555  116.944   55.900   32.444   62.128   10.632   2.7026   7.4100   2.9254 3.222224 3.982747 
1 1 1  -22   29    4 o   22.217   1.0224  479.988   43.959  435.196   59.751  532.837   64.902   21.092   1.4593   23.342   1.4324 -2.249840 2.044816 
1 1 1  -22   29    5 o   66.743   0.7109  4340.04   92.080  4464.31  130.569  4217.09  129.875   67.696   0.9936   65.789   1.0170 1.906799 1.421780 
1 1 1  -22   29    6 o   35.178   0.7183  1204.71   48.997  1183.41   67.500  1228.43   71.235   34.852   0.9977   35.504   1.0336 -0.6518593 1.436589 
1 1 1  -22   29    7 o   40.975   0.6770  1635.50   53.850  1629.53   76.245  1641.45   76.065   40.900   0.9603   41.050   0.9546 -0.1501999 1.354047 
1 1 1  -22   29    8 o   25.178   0.8998  614.313   43.758  706.381   65.053  538.233   59.136   26.890   1.2463   23.466   1.2982 3.424118 1.799620 
1 1 1  -22   29    9 o   30.262   0.7575  895.643   44.357  860.164   64.583  927.323   61.028   29.686   1.1208   30.838   1.0195 -1.152103 1.515075 
1 1 1  -22   29   10 o   34.773   0.6792  1177.74   45.757  1161.39   62.580  1196.53   67.076   34.518   0.9339   35.028   0.9865 -0.5098038 1.358434 
1 1 1  -22   29   11 o   13.113   1.5110  174.406   36.055  109.466   48.976  251.240   53.272   10.258   2.4856   15.967   1.7188 -5.708387 3.021967 
1 1 1  -22   29   12 o   9.0934   2.1679   85.182   47.090 -20.6174  103.350  112.901   52.900   7.7994   3.4524   10.387   2.6230 -2.588080 4.335802 
1 1 1  -22   29   13 o   18.179   1.5935  302.046   46.880  385.644  104.189  280.824   52.495   19.482   2.7550   16.877   1.6024 2.605537 3.187077 
1 1 1  -22   29   14 o   45.134   0.8663  1985.48   73.126  2034.00  121.496  1957.92   91.569   45.510   1.3753   44.759   1.0539 0.7511292 1.732664 
1 1 1  -22   29   15 o   36.984   0.9738  1346.95   61.968  1339.36  119.155  1349.77   72.552   36.804   1.6678   37.165   1.0057 -0.3613243 1.947568 
1 1 1  -22   29   16 f   17.776   1.4061  271.415   32.869  381.759   97.049  257.118   34.934   19.351   2.5836   16.201   1.1108 3.150049 2.812295 
1 1 1  -22   29   17 o   15.242   1.6632  200.209   30.851  296.273   96.218  189.201   32.571   16.606   3.0988   13.877   1.2091 2.728855 3.326317 
1 1 1  -22   29   18 o   10.882   2.1218   84.136   30.192  204.089  101.573   72.510   31.621   13.428   3.7518   8.3355   1.9831 5.092738 4.243673 
1 1 1  -22   29   19 o   20.588   1.3204  366.549   32.543  508.582  106.618  351.958   34.173   22.216   2.4722   18.960   0.9285 3.256075 2.640851 
1 1 1  -22   29   20 o   18.989   1.1780  275.174   32.807  512.478   89.084  237.940   35.287   22.444   2.0448   15.535   1.1701 6.908472 2.355904 
1 1 1  -22   30    1 o   8.2586   2.1300   57.546   44.625   68.680   60.025   43.788   66.724   8.5942   2.9645   7.9230   3.0593 0.6712003 4.260013 
1 1 1  -22   30    2 o   6.2879   1.9287  -9.2805   44.171 -30.0960   62.826   11.066   62.114   5.8140   2.6237   6.7617   2.8276 -0.9476390 3.857303 
1 1 1  -22   30    3 o   46.825   0.6880  2136.03   62.526  2108.17   87.605  2164.96   89.269   46.514   0.9702   47.136   0.9756 -0.6212502 1.375944 
1 1 1  -22   30    4 o   26.684   0.8876  695.390   45.969  712.208   65.610  679.173   64.427   27.001   1.2518   26.367   1.2588 0.6345863 1.775213 
1 1 1  -22   30    5 o   7.5323   2.0080   39.162   41.324   65.424   58.109   12.289   58.780   8.4269   2.9163   6.6377   2.7610 1.789254 4.015931 
1 1 1  -22   30    6 o   18.637   1.1956  345.604   42.658  379.137   57.736  305.290   63.305   19.668   1.5122   17.606   1.8523 2.061800 2.391179 
1 1 1  -22   30    7 o   21.354   1.0085  447.163   41.712  455.887   57.434  437.425   60.678   21.582   1.3709   21.126   1.4796 0.4560242 2.017078 
1 1 1  -22   30    8 o   26.513   0.8748  686.045   44.554  559.959   61.297  827.265   64.872   23.921   1.3200   29.105   1.1482 -5.183176 1.749559 
1 1 1  -22   30    9 o   32.172   0.7321  1010.29   45.703  1031.61   64.277  988.499   64.995   32.518   1.0183   31.826   1.0520 0.6922340 1.464139 
1 1 1  -22   30   10 o   21.579   0.9701  461.822   40.127  524.656   55.460  392.791   58.130   23.157   1.2337   20.000   1.4973 3.157858 1.940125 
1 1 1  -22   30   11 o   16.254   1.7885  296.937   45.977  216.285   87.476  327.721   54.043   14.254   3.2356   18.255   1.5251 -4.001709 3.576959 
1 1 1  -22   30   12 o   10.344   2.3113   82.239   44.797  178.652   99.096   57.476   50.221   12.850   3.7439   7.8380   2.7112 5.012103 4.622518 
1 1 1  -22   30   13 o   9.3305   2.3372   57.834   41.916  139.379  103.910   41.986   45.808   11.614   3.9023   7.0472   2.5732 4.566513 4.674333 
1 1 1  -22   30   14 o   48.080   0.8729  2296.87   78.360  2147.14  127.534  2387.67   99.319   46.733   1.4058   49.426   1.0352 -2.692596 1.745838 
1 1 1  -22   30   15 o   6.6920   1.8999   27.145   36.862 -110.3211   96.637   50.552   39.878   6.1536   2.9315   7.2304   2.4175 -1.076826 3.799780 
1 1 1  -22   30   16 o   24.964   1.0547  530.565   31.430  732.638  103.677  510.115   32.982   27.054   1.9742   22.875   0.7428 4.179047 2.109301 
1 1 1  -22   30   17 o   15.926   3.1783  275.296   94.815  275.296   94.815   0.0000   0.0000   15.926   3.1783  ?   ?       ?      ? 
1 1 1  -22   30   18 o   14.410   3.5773  234.014   99.603  234.014   99.603   0.0000   0.0000   14.410   3.5773  ?   ?       ?      ? 
1 1 1  -22   30   19 o   16.182   3.4669  294.803  105.628  294.803  105.628   0.0000   0.0000   16.182   3.4669  ?   ?       ?      ? 
1 1 1  -22   30   20 o   13.750   3.3471  215.319   88.500  215.319   88.500   0.0000   0.0000   13.750   3.3471  ?   ?       ?      ? 
1 1 1  -22   31    1 o   25.034   0.9508  611.036   46.091  558.380   63.046  671.492   67.554   23.878   1.3602   26.190   1.3288 -2.312380 1.901518 
1 1 1  -22   31    2 o   33.866   0.7785  1116.76   51.115  1053.85   70.302  1187.31   74.451   32.856   1.1023   34.875   1.0997 -2.018997 1.557052 
1 1 1  -22   31    3 o   13.251   1.7532  180.446   43.430  175.206   60.632  185.967   62.238   13.048   2.4846   13.455   2.4741 -0.4071131 3.506373 
1 1 1  -22   31    4 o   29.448   0.8296  843.714   47.331  785.395   64.643  911.112   69.493   28.355   1.1744   30.541   1.1722 -2.185568 1.659284 
1 1 1  -22   31    5 o   48.303   0.6721  2274.12   63.016  2284.95   89.537  2263.50   88.706   48.417   0.9527   48.190   0.9483 0.2268219 1.344170 
1 1 1  -22   31    6 o   42.819   0.6832  1788.08   56.756  1861.79   80.369  1714.75   80.162   43.703   0.9473   41.935   0.9848 1.768547 1.366461 
1 1 1  -22   31    7 o   28.108   0.8084  771.662   43.816  770.853   58.689  772.681   65.858   28.101   1.0759   28.114   1.2067 -0.1267242E-01 1.616709 
1 1 1  -22   31    8 o   17.151   1.1878  288.822   39.434  279.421   53.468  300.035   58.395   16.852   1.6344   17.450   1.7239 -0.5973072 2.375556 
1 1 1  -22   31    9 o   7.4451   1.9714   43.155   38.728   54.281   54.149   31.504   55.412   7.8393   2.8065   7.0510   2.7694 0.7883420 3.942829 
1 1 1  -22   31   10 o   8.8628   1.9046   79.706   36.152   96.902   51.049   62.405   51.205   9.6425   2.6469   8.0830   2.7392 1.559496 3.809117 
1 1 1  -22   31   11 o   29.108   1.0573  793.074   50.138  910.019  108.176  761.079   56.582   30.307   1.8387   27.909   1.0444 2.397919 2.114653 
1 1 1  -22   31   12 o   7.0162   2.0219   27.951   38.925 -13.8441   86.078   38.695   43.642   7.2033   3.1715   6.8291   2.5089 0.3742108 4.043858 
1 1 1  -22   31   13 o   7.7235   2.0843   50.756   36.780 -43.7998  108.486   63.036   39.095   7.5792   3.4314   7.8678   2.3669 -0.2886753 4.168572 
1 1 1  -22   31   14 o   12.336   2.0159  113.117   37.015  258.303   97.361   88.587   40.020   15.460   3.3416   9.2120   2.2560 6.248345 4.031837 
1 1 1  -22   31   15 o   14.417   3.4538  228.171   95.388  228.171   95.388   0.0000   0.0000   14.417   3.4538  ?   ?       ?      ? 
1 1 1  -22   31   16 o   17.929   2.8877  334.126  100.500  334.126  100.500   0.0000   0.0000   17.929   2.8877  ?   ?       ?      ? 
1 1 1  -22   31   17 o   16.691   3.0759  300.910   95.989  300.910   95.989   0.0000   0.0000   16.691   3.0759  ?   ?       ?      ? 
1 1 1  -22   31   18 o   9.4119   3.7097   73.102   99.752   73.102   99.752   0.0000   0.0000   9.4119   3.7097  ?   ?       ?      ? 
1 1 1  -22   31   19 o   16.660   3.3714  312.068  105.286  312.068  105.286   0.0000   0.0000   16.660   3.3714  ?   ?       ?      ? 
1 1 1  -22   32    1 o   37.059   0.7376  1341.35   52.817  1347.73   71.461  1333.67   78.409   37.167   0.9905   36.951   1.0931 0.2152901 1.475132 
1 1 1  -22   32    2 o   7.5330   2.0651   39.223   42.964   42.646   57.235   34.806   65.028   7.5141   2.8501   7.5520   2.9893 -0.3784895E-01 4.130245 
1 1 1  -22   32    3 o   16.803   1.3116  280.377   42.536  302.535   58.825  256.095   61.580   17.522   1.7295   16.084   1.9723 1.437180 2.623201 
1 1 1  -22   32    4 o   16.523   1.3529  268.330   43.223  303.744   63.666  238.053   58.867   17.535   1.8704   15.511   1.9552 2.024080 2.705759 
1 1 1  -22   32    5 o   21.612   1.0523  460.048   43.991  487.805   61.038  430.045   63.459   22.305   1.4097   20.919   1.5628 1.386286 2.104637 
1 1 1  -22   32    6 o   9.4080   2.0025   89.690   40.386  114.244   57.241   65.353   56.988   10.455   2.7745   8.3608   2.8883 2.094218 4.004992 
1 1 1  -22   32    7 o   17.700   1.1444  308.226   39.285  291.025   54.974  326.178   56.162   17.191   1.6474   18.209   1.5889 -1.017822 2.288741 
1 1 1  -22   32    8 f   21.015   0.9731  433.897   39.123  342.558   54.065  534.305   56.685   18.670   1.4917   23.361   1.2500 -4.690001 1.946246 
1 1 1  -22   32    9 o   19.108   0.9908  358.442   36.686  387.545   52.438  330.544   51.342   19.874   1.3593   18.342   1.4420 1.532076 1.981667 
1 1 1  -22   32   10 o   6.7252   1.8678   28.741   35.682   25.001   50.824   32.376   50.109   6.6102   2.6344   6.8402   2.6484 -0.2299719 3.735505 
1 1 1  -22   32   11 o   6.9086   2.0384   20.221   42.454 -92.4577  103.571   42.976   46.543   6.7027   3.1448   7.1144   2.5944 -0.4117351 4.076847 
1 1 1  -22   32   12 o   17.110   1.5214  245.783   39.106  373.518   99.473  222.432   42.530   19.184   2.6712   15.036   1.4571 4.147006 3.042802 
1 1 1  -22   32   13 o   11.078   2.1872   80.659   32.567  221.759  106.916   66.228   34.192   14.161   3.8071   7.9954   2.1544 6.165934 4.374420 
1 1 1  -22   32   14 o   16.730   3.2401  301.245  101.424  301.245  101.424   0.0000   0.0000   16.730   3.2401  ?   ?       ?      ? 
1 1 1  -22   32   15 f   17.713   2.8256  324.721   97.157  324.721   97.157   0.0000   0.0000   17.713   2.8256  ?   ?       ?      ? 
1 1 1  -22   32   16 o   15.248   3.6423  260.878  106.332  260.878  106.332   0.0000   0.0000   15.248   3.6423  ?   ?       ?      ? 
1 1 1  -22   32   17 o   30.423   1.7981  926.642  106.190  926.642  106.190   0.0000   0.0000   30.423   1.7981  ?   ?       ?      ? 
1 1 1  -22   32   18 o   8.3089   3.5668   21.185  103.287   21.185  103.287   0.0000   0.0000   8.3089   3.5668  ?   ?       ?      ? 
1 1 1  -22   32   19 o   19.015   3.1281  392.593  115.467  392.593  115.467   0.0000   0.0000   19.015   3.1281  ?   ?       ?      ? 
1 1 1  -22   33    1 o   14.283   1.5560  201.483   42.913  180.298   57.373  228.386   64.653   13.440   2.1991   15.126   2.2019 -1.685990 3.112012 
1 1 1  -22   33    2 o   27.252   0.8870  727.316   46.874  728.094   64.838  726.463   67.845   27.272   1.2247   27.231   1.2835 0.4193115E-01 1.774061 
1 1 1  -22   33    3 o   41.752   0.6924  1701.56   56.020  1710.21   77.121  1691.89   81.510   41.871   0.9488   41.632   1.0086 0.2385902 1.384761 
1 1 1  -22   33    4 f   23.066   1.0098  529.608   44.539  608.591   61.479  442.372   64.612   24.928   1.2705   21.203   1.5698 3.725050 2.019503 
1 1 1  -22   33    5 o   21.838   1.0833  477.999   45.009  554.156   61.588  390.701   65.939   23.775   1.3344   19.901   1.7069 3.874847 2.166618 
1 1 1  -22   33    6 o   29.383   0.8340  846.778   47.434  882.530   65.615  807.640   68.652   30.045   1.1250   28.721   1.2314 1.323568 1.667911 
1 1 1  -22   33    7 o   10.551   1.9180  118.995   40.320  146.659   54.590   85.788   59.809   11.882   2.4482   9.2196   2.9532 2.662288 3.836080 
1 1 1  -22   33    8 o   30.822   0.7524  926.444   44.904  901.526   61.071  955.769   66.252   30.377   1.0357   31.267   1.0916 -0.8892231 1.504715 
1 1 1  -22   33    9 o   32.419   0.7069  1026.75   44.426  1032.16   61.357  1020.79   64.410   32.515   0.9721   32.324   1.0265 0.1903267 1.413761 
1 1 1  -22   33   10 o   10.538   1.6371  114.691   36.079   36.848   50.466  196.069   51.599   7.0187   2.6729   14.057   1.8910 -7.038345 3.274159 
1 1 1  -22   33   11 o   14.660   2.0493  212.610   42.871  241.282  107.930  207.239   46.714   14.835   3.7468   14.484   1.6615 0.3513851 4.098693 
1 1 1  -22   33   12 o   19.736   1.2206  344.553   36.285  455.354   89.624  322.831   39.683   21.315   2.1661   18.158   1.1258 3.157215 2.441173 
1 1 1  -22   33   13 o   6.5980   3.1132 -98.6471  104.042 -98.6471  104.042   0.0000   0.0000   6.5980   3.1132  ?   ?       ?      ? 
1 1 1  -22   33   14 o   14.075   3.7201  221.567  103.179  221.567  103.179   0.0000   0.0000   14.075   3.7201  ?   ?       ?      ? 
1 1 1  -22   33   15 o   12.332   3.6524  169.346   93.632  169.346   93.632   0.0000   0.0000   12.332   3.6524  ?   ?       ?      ? 
1 1 1  -22   33   16 o   11.306   3.9680  136.934  107.760  136.934  107.760   0.0000   0.0000   11.306   3.9680  ?   ?       ?      ? 
1 1 1  -22   33   17 o   20.756   2.5420  446.154  102.419  446.154  102.419   0.0000   0.0000   20.756   2.5420  ?   ?       ?      ? 
1 1 1  -22   33   18 f   28.320   2.1525  820.681  118.335  820.681  118.335   0.0000   0.0000   28.320   2.1525  ?   ?       ?      ? 
1 1 1  -22   34    1 o   38.039   0.7568  1408.46   55.697  1344.85   75.195  1485.77   82.903   37.098   1.0442   38.980   1.0956 -1.881931 1.513508 
1 1 1  -22   34    2 o   41.625   0.7169  1693.19   57.880  1713.93   80.484  1670.97   83.298   41.896   0.9896   41.355   1.0376 0.5406685 1.433894 
1 1 1  -22   34    3 f   28.932   0.8448  819.477   47.424  817.528   66.016  821.555   68.171   28.900   1.1768   28.963   1.2125 -0.6355095E-01 1.689648 
1 1 1  -22   34    4 o   17.398   1.3190  298.866   43.499  219.364   59.087  392.936   64.274   14.844   2.0506   19.953   1.6594 -5.109426 2.637944 
1 1 1  -22   34    5 o   5.7990   1.8071 -21.5189   40.636 -51.4752   55.541   12.988   59.611   4.9516   2.3168   6.6464   2.7739 -1.694853 3.614103 
1 1 1  -22   34    6 o   31.433   0.7647  966.797   46.434  975.424   62.837  956.419   68.918   31.599   1.0244   31.266   1.1355 0.3324642 1.529321 
1 1 1  -22   34    7 f   20.363   1.0389  408.078   40.975  411.156   56.246  404.597   59.813   20.454   1.4166   20.272   1.5200 0.1827602 2.077778 
1 1 1  -22   34    8 o   25.943   0.8394  662.873   42.014  594.669   60.467  726.539   58.420   24.630   1.2647   27.256   1.1041 -2.626266 1.678861 
1 1 1  -22   34    9 o   21.198   0.9252  438.625   37.938  390.862   51.824  493.777   55.689   19.955   1.3379   22.440   1.2784 -2.484701 1.850472 
1 1 1  -22   34   10 o   12.361   2.1236  193.595   41.390  211.758   44.514   77.630  112.477   14.653   1.5649   10.068   3.9484 4.585540 4.247233 
1 1 1  -22   34   11 o   20.284   1.5528  425.343   40.193  395.372  111.095  429.857   43.114   19.605   2.9192   20.962   1.0595 -1.357382 3.105523 
1 1 1  -22   34   12 o   8.4944   2.5485   22.181   72.368   30.075   94.244   10.838  112.970   8.3835   3.4924   8.6053   3.7125 -0.2218447 5.096965 
1 1 1  -22   34   13 f   23.587   2.3210  563.589  106.271  563.589  106.271   0.0000   0.0000   23.587   2.3210  ?   ?       ?      ? 
1 1 1  -22   34   14 o   16.649   3.3939  303.976  105.968  303.976  105.968   0.0000   0.0000   16.649   3.3939  ?   ?       ?      ? 
1 1 1  -22   34   15 o   28.696   1.7823  822.774   99.280  822.774   99.280   0.0000   0.0000   28.696   1.7823  ?   ?       ?      ? 
1 1 1  -22   34   16 o   8.6113   3.6606   28.745  106.884   28.745  106.884   0.0000   0.0000   8.6113   3.6606  ?   ?       ?      ? 
1 1 1  -22   34   17 o   9.8035   3.7938   88.928  102.785   88.928  102.785   0.0000   0.0000   9.8035   3.7938  ?   ?       ?      ? 
1 1 1  -22   34   18 o   14.536   3.9516  252.880  114.426  252.880  114.426   0.0000   0.0000   14.536   3.9516  ?   ?       ?      ? 
1 1 1  -22   35    1 o   22.323   1.0742  496.094   45.946  536.192   61.939  447.034   68.511   23.367   1.3655   21.278   1.6587 2.089619 2.148455 
1 1 1  -22   35    2 o   38.773   0.7474  1464.66   56.133  1400.39   76.423  1539.96   82.717   37.857   1.0400   39.690   1.0736 -1.832970 1.494713 
1 1 1  -22   35    3 o   9.0979   2.1153   81.045   44.137   56.710   62.394  105.416   62.443   8.1479   2.9989   10.048   2.9842 -1.900179 4.230680 
1 1 1  -22   35    4 o   12.132   1.8844  148.437   44.684   95.273   59.745  215.930   67.316   9.6025   2.9343   14.662   2.3651 -5.059674 3.768815 
1 1 1  -22   35    5 o   18.922   1.1848  355.500   43.272  381.716   59.709  326.500   62.799   19.682   1.5628   18.162   1.7812 1.519817 2.369627 
1 1 1  -22   35    6 o   24.448   0.8841  589.641   41.670  648.380   57.843  526.268   60.081   25.739   1.1577   23.156   1.3366 2.582083 1.768281 
1 1 1  -22   35    7 o   13.240   1.6407  187.625   39.464  264.139   55.272  108.050   56.366   16.341   1.7425   10.139   2.7805 6.201731 3.281382 
1 1 1  -22   35    8 o   16.013   1.2231  253.838   37.954  235.911   53.428  272.101   53.927   15.432   1.7835   16.594   1.6742 -1.161403 2.446163 
1 1 1  -22   35    9 o   23.778   0.8342  557.891   38.173  479.935   54.462  633.177   53.521   22.116   1.2686   25.440   1.0838 -3.323803 1.668485 
1 1 1  -22   35   10 o   10.933   2.1014  123.141   37.600  123.013   93.018  123.166   41.108   10.917   3.6920   10.949   2.0082 -0.3217888E-01 4.202826 
1 1 1  -22   35   11 o   11.337   2.1371  113.567   27.442  156.554  111.768  110.809   28.308   12.065   4.0472   10.609   1.3747 1.456227 4.274298 
1 1 1  -22   35   12 o   9.1352   2.5861   55.563   70.214   30.147   98.371   81.959  100.250   8.4881   3.5547   9.7823   3.7572 -1.294222 5.172279 
1 1 1  -22   35   13 o   9.7087   3.6709   84.784   94.753   84.784   94.753   0.0000   0.0000   9.7087   3.6709  ?   ?       ?      ? 
1 1 1  -22   35   14 o   7.9425   3.4817  -1.8539  102.743  -1.8539  102.743   0.0000   0.0000   7.9425   3.4817  ?   ?       ?      ? 
1 1 1  -22   35   15 o   9.9263   3.6054   98.174   89.761   98.174   89.761   0.0000   0.0000   9.9263   3.6054  ?   ?       ?      ? 
1 1 1  -22   35   16 o   12.815   3.9609  191.388  108.512  191.388  108.512   0.0000   0.0000   12.815   3.9609  ?   ?       ?      ? 
1 1 1  -22   35   17 o   25.122   2.2747  650.625  110.931  650.625  110.931   0.0000   0.0000   25.122   2.2747  ?   ?       ?      ? 
1 1 1  -22   36    1 o   13.192   1.7880  184.784   43.687  209.139   57.336  151.074   67.455   14.476   2.0404   11.908   2.9366 2.568158 3.575901 
1 1 1  -22   36    2 o   17.200   1.3852  297.733   45.655  340.631   63.356  251.392   65.849   18.545   1.7600   15.855   2.1395 2.689245 2.770362 
1 1 1  -22   36    3 o   21.851   1.0339  470.956   43.670  456.429   64.171  483.488   59.599   21.520   1.5361   22.181   1.3842 -0.6603813 2.067766 
1 1 1  -22   36    4 o   10.402   2.0007  115.592   43.201  152.477   58.810   72.360   63.670   12.063   2.5890   8.7409   3.0510 3.321644 4.001477 
1 1 1  -22   36    5 o   35.221   0.7552  1210.08   51.385  1184.15   69.051  1242.26   76.924   34.810   1.0219   35.632   1.1121 -0.8215942 1.510322 
1 1 1  -22   36    6 o   16.631   1.3082  282.045   40.841  313.812   53.511  237.721   63.208   17.840   1.5452   15.423   2.1113 2.417057 2.616327 
1 1 1  -22   36    7 o   31.080   0.7597  941.178   45.619  908.139   61.196  982.500   68.439   30.477   1.0344   31.682   1.1128 -1.205090 1.519323 
1 1 1  -22   36    8 o   26.163   0.8005  670.984   40.613  685.103   56.532  655.926   58.382   26.454   1.1009   25.872   1.1625 0.5821457 1.601002 
1 1 1  -22   36    9 o   6.2763   1.7070   16.429   32.990   56.569   44.827 -30.9974   48.725   7.6317   2.5631   4.9209   2.2553 2.710743 3.414086 
1 1 1  -22   36   10 o   13.732   1.8970  199.564   36.316  191.422   91.611  201.082   39.557   13.184   3.5154   14.281   1.4270 -1.097025 3.793931 
1 1 1  -22   36   11 o   9.0403   2.6112   22.679   78.672  114.382  111.624 -67.8345  110.898   10.838   4.0072   7.2424   3.3492 3.595910 5.222472 
1 1 1  -22   36   12 o   7.3682   2.3738 -44.4621   74.826 -35.6044  102.364 -54.6261  109.652   7.3749   3.3366   7.3614   3.3773 0.1344824E-01 4.747547 
1 1 1  -22   36   13 o   22.628   2.1805  518.538   95.778  518.538   95.778   0.0000   0.0000   22.628   2.1805  ?   ?       ?      ? 
1 1 1  -22   36   14 o   15.343   3.6602  266.730  107.488  266.730  107.488   0.0000   0.0000   15.343   3.6602  ?   ?       ?      ? 
1 1 1  -22   36   15 o   9.5524   3.6081   85.903   91.483   85.903   91.483   0.0000   0.0000   9.5524   3.6081  ?   ?       ?      ? 
1 1 1  -22   36   16 o   9.3052   3.7899   65.503  107.716   65.503  107.716   0.0000   0.0000   9.3052   3.7899  ?   ?       ?      ? 
1 1 1  -22   37    1 o   17.019   1.4351  289.133   47.362  274.228   65.293  305.684   68.804   16.557   2.0315   17.482   2.0275 -0.9248257 2.870199 
1 1 1  -22   37    2 o   8.3235   2.1099   61.344   45.050   88.453   60.267   27.015   67.820   9.2840   2.9636   7.3630   3.0040 1.920992 4.219804 
1 1 1  -22   37    3 o   10.541   2.1387  118.242   45.928  121.573   61.452  114.027   69.125   10.690   2.8916   10.391   3.1521 0.2988710 4.277470 
1 1 1  -22   37    4 o   43.736   0.7034  1861.11   59.365  1794.99   79.165  1946.06   89.733   42.866   0.9514   44.606   1.0363 -1.740578 1.406801 
1 1 1  -22   37    5 o   14.459   1.5667  215.785   42.195  243.760   57.731  183.702   61.824   15.645   1.9009   13.273   2.4910 2.372175 3.133425 
1 1 1  -22   37    6 o   22.759   0.9250  511.313   40.661  560.893   56.918  459.637   58.108   23.908   1.2264   21.611   1.3852 2.297731 1.850093 
1 1 1  -22   37    7 o   21.009   0.9836  434.487   40.019  432.930   54.730  436.275   58.665   20.978   1.3440   21.039   1.4364 -0.6089211E-01 1.967133 
1 1 1  -22   37    8 o   7.2920   1.9213   44.048   36.426   43.879   51.016   44.225   52.026   7.2681   2.7047   7.3158   2.7296 -0.4770899E-01 3.842623 
1 1 1  -22   37    9 o   20.510   0.8393  412.677   33.402  404.090   46.502  421.831   48.011   20.291   1.1806   20.729   1.1931 -0.4381943 1.678506 
1 1 1  -22   37   10 o   13.290   2.7219  173.225   74.290  105.785   91.582  302.993  127.038   10.279   3.6530   16.301   4.0360 -6.021969 5.443721 
1 1 1  -22   37   11 o   8.3810   2.5948  -2.4986   80.287 -25.6090  108.010   26.040  120.025   7.7385   3.4705   9.0235   3.8585 -1.284978 5.189643 
1 1 1  -22   37   12 f   12.108   2.8897  149.774   82.414   88.866  108.099  234.318  127.357   10.048   3.8900   14.168   4.2742 -4.120666 5.779316 
1 1 1  -22   37   13 o   16.247   2.9735  284.733   90.322  284.733   90.322   0.0000   0.0000   16.247   2.9735  ?   ?       ?      ? 
1 1 1  -22   37   14 o   20.435   2.8032  438.711  111.202  438.711  111.202   0.0000   0.0000   20.435   2.8032  ?   ?       ?      ? 
1 1 1  -22   37   15 o   17.510   2.7594  323.681   93.793  323.681   93.793   0.0000   0.0000   17.510   2.7594  ?   ?       ?      ? 
1 1 1  -22   37   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   38    1 o   30.588   0.9116  914.105   53.923  849.717   72.537  993.643   80.620   29.397   1.2711   31.778   1.3069 -2.380651 1.823131 
1 1 1  -22   38    2 o   19.170   1.2906  365.369   47.766  419.396   69.228  316.277   65.990   20.543   1.7360   17.796   1.9102 2.747095 2.581195 
1 1 1  -22   38    3 o   14.896   1.5669  224.363   44.825  229.212   59.667  218.079   67.916   15.125   2.0322   14.667   2.3855 0.4583998 3.133791 
1 1 1  -22   38    4 o   7.4696   2.0400   39.650   41.957   27.157   56.296   55.261   62.928   6.8816   2.7622   8.0576   3.0028 -1.176013 4.080060 
1 1 1  -22   38    5 o   18.178   1.1810  327.732   41.673  329.352   59.229  326.144   58.645   18.222   1.6745   18.135   1.6659 0.8695221E-01 2.362034 
1 1 1  -22   38    6 o   22.592   0.9839  503.259   43.115  510.449   60.049  495.608   61.942   22.766   1.3588   22.417   1.4235 0.3492069 1.967865 
1 1 1  -22   38    7 o   19.714   0.9988  382.697   38.161  415.094   55.102  352.838   52.900   20.521   1.3832   18.908   1.4413 1.613804 1.997684 
1 1 1  -22   38    8 o   11.096   1.6309  128.948   33.953  129.373   46.966  128.483   49.142   11.131   2.2509   11.060   2.3608 0.7125473E-01 3.261856 
1 1 1  -22   38    9 o   16.520   1.5170  245.284   37.921  228.971   41.533  327.037   92.975   15.231   1.4048   17.810   2.6892 -2.579700 3.034043 
1 1 1  -22   38   10 o   15.877   2.4576  277.077   73.319  257.279   98.192  302.024  110.224   15.265   3.4009   16.489   3.5487 -1.224704 4.915214 
1 1 1  -22   38   11 o   7.6659   2.3978 -73.1801   77.690 -198.5951  106.560   69.129  113.510   5.6417   2.7754   9.6902   3.9108 -4.048524 4.795506 
1 1 1  -22   38   12 o   8.4406   2.6223  -0.0027   82.548 -17.0342  111.416   20.724  122.909   7.9435   3.5463   8.9376   3.8640 -0.9940152 5.244695 
1 1 1  -22   38   13 o   8.4237   3.4797   40.901   92.437   40.901   92.437   0.0000   0.0000   8.4237   3.4797  ?   ?       ?      ? 
1 1 1  -22   38   14 o   8.7347   3.7472   29.135  113.870   29.135  113.870   0.0000   0.0000   8.7347   3.7472  ?   ?       ?      ? 
1 1 1  -22   38   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   39    1 o   8.6656   2.1165   60.522   47.342   6.4310   64.524  123.600   69.678   6.6320   2.8323   10.699   3.1458 -4.067203 4.232923 
1 1 1  -22   39    2 o   16.663   1.4701  279.155   47.527  271.118   65.971  287.827   68.530   16.416   2.0702   16.910   2.0877 -0.4932194 2.940122 
1 1 1  -22   39    3 o   21.519   1.1409  455.675   47.435  422.542   63.436  497.697   71.440   20.648   1.5827   22.391   1.6436 -1.742981 2.281765 
1 1 1  -22   39    4 o   5.9159   1.8142 -23.7239   41.277 -72.4204   56.403   32.431   60.568   4.6287   2.2146   7.2031   2.8742 -2.574381 3.628454 
1 1 1  -22   39    5 o   29.641   0.7658  861.189   44.056  860.564   62.822  861.794   61.799   29.627   1.0923   29.654   1.0736 -0.2620697E-01 1.531583 
1 1 1  -22   39    6 o   7.9254   2.0375   56.153   40.668   66.063   58.334   46.782   56.727   8.3078   2.9192   7.5430   2.8431 0.7647934 4.074967 
1 1 1  -22   39    7 o   6.7547   1.9009   27.044   37.732   40.643   53.505   13.591   53.217   7.2090   2.7506   6.3004   2.6245 0.9085279 3.801765 
1 1 1  -22   39    8 o   15.356   2.3172  265.329   45.096  269.090   47.929  236.311  133.130   16.487   1.4976   14.226   4.3857 2.260911 4.634352 
1 1 1  -22   39    9 o   19.365   2.4324  405.904   89.376  369.582  122.112  447.813  131.167   18.247   3.5754   20.484   3.2987 -2.237297 4.864720 
1 1 1  -22   39   10 o   11.174   2.8370  131.154   78.035  130.581  104.843  131.866  116.847   11.093   3.9121   11.255   4.1097 -0.1618195 5.673996 
1 1 1  -22   39   11 o   20.527   2.1161  463.775   78.407  578.366  107.612  334.105  114.474   23.775   2.3317   17.280   3.5320 6.495506 4.232213 
1 1 1  -22   39   12 o   15.362   2.4925  254.546   73.142  372.198  115.651  176.119   94.424   18.307   3.3789   12.418   3.6651 5.888333 4.985002 
1 1 1  -22   39   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   39   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   40    1 o   20.968   1.2329  440.264   49.980  467.612   69.262  410.554   72.193   21.681   1.6457   20.255   1.8362 1.426035 2.465747 
1 1 1  -22   40    2 o   8.4518   2.1371   65.287   45.561   91.375   64.062   38.585   64.812   9.3734   3.0611   7.5303   2.9831 1.843079 4.274269 
1 1 1  -22   40    3 o   26.926   0.9509  711.054   49.544  641.294   67.423  792.933   73.045   25.493   1.3625   28.359   1.3269 -2.866177 1.901847 
1 1 1  -22   40    4 o   14.821   1.6512  231.701   44.497  307.659   63.208  157.070   62.653   17.535   1.8570   12.108   2.7307 5.426368 3.302334 
1 1 1  -22   40    5 o   5.1129   1.6651 -50.6436   40.382  -5.4309   54.627 -105.1161   59.961   5.8384   2.5495   4.3874   2.1424 1.451012 3.330163 
1 1 1  -22   40    6 f   20.048   1.0569  399.624   40.899  379.539   60.145  416.900   55.782   19.552   1.5846   20.543   1.3988 -0.9905396 2.113723 
1 1 1  -22   40    7 o   19.725   0.9979  384.171   38.176  362.733   53.114  407.082   54.908   19.152   1.4287   20.298   1.3936 -1.146179 1.995794 
1 1 1  -22   40    8 o   18.201   1.9135  331.397   42.804  326.011   45.665  370.388  122.857   18.184   1.2937   18.218   3.6016 -0.3486252E-01 3.826924 
1 1 1  -22   40    9 o   7.8913   2.5322 -58.9044   88.349   23.844  119.240 -159.6283  131.556   8.8886   3.8244   6.8940   3.3200 1.994529 5.064464 
1 1 1  -22   40   10 o   10.122   2.8548   84.703   86.151  120.196  109.918   28.176  138.717   10.799   3.9794   9.4461   4.0944 1.352684 5.709650 
1 1 1  -22   40   11 o   20.914   3.2706  473.715  132.779   0.0000   0.0000  473.715  132.779  ?   ?    20.914   3.2706      ?      ? 
1 1 1  -22   40   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   40   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   41    1 o   10.106   2.1873  110.423   48.330   77.117   70.844  139.417   66.100   8.9189   3.2083   11.294   2.9740 -2.375031 4.374670 
1 1 1  -22   41    2 o   6.6818   2.0192   4.3782   47.519   29.529   62.894 -29.0768   72.537   7.1651   2.9042   6.1986   2.8062 0.9665375 4.038469 
1 1 1  -22   41    3 o   15.902   1.5453  256.757   47.667  257.078   66.194  256.412   68.698   15.927   2.1411   15.878   2.2289 0.4874420E-01 3.090641 
1 1 1  -22   41    4 o   7.9530   2.0132   45.471   43.414  103.616   63.424  -5.7951   59.554   9.8366   3.0262   6.0694   2.6559 3.767195 4.026379 
1 1 1  -22   41    5 o   7.3684   1.8765   28.872   40.699   96.050   57.205 -39.9839   57.915   9.4901   2.8649   5.2467   2.4242 4.243390 3.752942 
1 1 1  -22   41    6 o   25.846   0.8530  657.519   42.792  662.737   60.956  652.448   60.087   25.946   1.2103   25.746   1.2023 0.1997833 1.705954 
1 1 1  -22   41    7 o   8.7858   2.3784   70.679   49.522   85.015   53.263 -20.7338  134.499   8.9735   2.7753   8.5982   3.8633 0.3752804 4.756806 
1 1 1  -22   41    8 o   8.5368   2.5668   29.974   72.745   41.291   90.835   9.7349  121.470   8.3973   3.4570   8.6764   3.7950 -0.2791424 5.133510 
1 1 1  -22   41    9 o   6.2834   2.9726 -89.4210   96.007   0.0000   0.0000 -89.4210   96.007  ?   ?    6.2834   2.9726      ?      ? 
1 1 1  -22   41   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   41   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   41   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   42    1 o   9.7264   2.3454   91.649   57.185  151.540   81.073   32.351   80.671   11.615   3.3870   7.8373   3.2451 3.778108 4.690742 
1 1 1  -22   42    2 o   9.6704   2.2316   90.383   53.761   19.740   76.650  158.782   75.423   7.3962   3.1197   11.945   3.1919 -4.548480 4.463240 
1 1 1  -22   42    3 o   17.576   1.6661  330.236   52.889  417.503   73.133  234.557   76.577   20.379   1.8487   14.772   2.7723 5.606843 3.332148 
1 1 1  -22   42    4 o   12.230   2.1014  163.243   49.571  190.242   72.178  139.139   68.200   13.219   2.8932   11.241   3.0485 1.977697 4.202879 
1 1 1  -22   42    5 o   22.488   1.1185  503.042   48.334  508.416   73.892  499.023   63.900   22.553   1.6878   22.423   1.4681 0.1299572 2.236978 
1 1 1  -22   42    6 o   7.4434   2.9085   41.729   60.860   41.729   60.860   0.0000   0.0000   7.4434   2.9085  ?   ?       ?      ? 
1 1 1  -22   42    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   42    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   42    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   42   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   43    1 o   6.5247   2.1003 -32.6123   58.471 -37.8649   83.923 -27.6574   81.510   6.4874   2.9683   6.5620   2.9723 -0.7458258E-01 4.200684 
1 1 1  -22   43    2 o   12.947   2.2209  187.085   55.172  177.862   75.611  197.588   80.687   12.617   3.1076   13.277   3.1737 -0.6602821 4.441835 
1 1 1  -22   43    3 o   9.6635   2.3570   98.765   53.674  101.242   75.418   96.223   76.404   9.7448   3.3243   9.5823   3.3424 0.1625404 4.714075 
1 1 1  -22   43    4 o   21.124   1.2830  446.639   52.388  480.401   78.595  419.646   70.277   21.820   1.8556   20.428   1.7722 1.392221 2.565919 
1 1 1  -22   43    5 o   10.311   3.0318  117.228   64.720  117.228   64.720   0.0000   0.0000   10.311   3.0318  ?   ?       ?      ? 
1 1 1  -22   43    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   43    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   43    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   43    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   44    2 o   7.4904   2.2111   21.522   55.001   55.696   77.564 -13.0419   78.005   8.3025   3.2716   6.6782   2.9754 1.624286 4.422211 
1 1 1  -22   44    3 o   8.5618   2.2821   61.803   53.602   23.743   74.640  102.332   77.025   7.3617   3.0904   9.7618   3.3587 -2.400013 4.564146 
1 1 1  -22   44    4 o   16.711   2.4121  290.322   78.249  290.322   78.249   0.0000   0.0000   16.711   2.4121  ?   ?       ?      ? 
1 1 1  -22   44    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -22   44    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21    0    1 o   49.450   0.9590  2380.69   91.889  2415.20  130.226  2346.48  129.677   49.808   1.3491   49.091   1.3632 -0.000000 0.000000 
1 1 1  -21    0    2 o   9.7615   3.0517  130.112   63.862  178.120   93.728   88.512   87.248   11.596   4.4211   7.9268   4.2077 -0.000000 0.000000 
1 1 1  -21    0    3 o   65.399   0.9696  4159.81  122.956  4060.02  172.864  4261.98  174.926   64.604   1.3798   66.195   1.3626 -0.000000 0.000000 
1 1 1  -21    0    4 o   93.766   1.1835  8552.52  215.259  8621.17  305.133  8484.50  303.715   94.141   1.6709   93.390   1.6765 -0.000000 0.000000 
1 1 1  -21    0    5 o   42.096   0.9716  1721.66   79.083  1624.35  108.334  1832.66  115.709   40.823   1.3706   43.369   1.3776 -0.000000 0.000000 
1 1 1  -21    0    6 o   43.695   0.9571  1859.40   80.917  1847.34  111.731  1872.70  117.342   43.549   1.3245   43.841   1.3819 -0.000000 0.000000 
1 1 1  -21    0    7 o   34.776   1.0748  1182.64   71.982  1192.68   98.021  1170.89  106.047   34.948   1.4506   34.604   1.5863 -0.000000 0.000000 
1 1 1  -21    0    8 o   82.330   1.0755  6588.70  171.654  6474.47  238.000  6712.53  247.810   81.588   1.5039   83.072   1.5379 -0.000000 0.000000 
1 1 1  -21    0    9 o   62.625   0.9500  3814.87  115.337  3796.14  160.947  3834.65  165.364   62.468   1.3286   62.781   1.3583 -0.000000 0.000000 
1 1 1  -21    0   10 o   6.7520   2.7140   48.508   59.226   92.816   82.781   2.0434   84.771   8.0496   4.1447   5.4545   3.5050 -0.000000 0.000000 
1 1 1  -21    0   11 o   20.404   1.7064  426.060   63.484  349.327   89.929  502.286   89.631   18.376   2.6896   22.432   2.1007 -0.000000 0.000000 
1 1 1  -21    0   12 o   38.663   1.0135  1458.24   75.809  1507.69  107.992  1410.21  106.444   39.314   1.4193   38.013   1.4473 -0.000000 0.000000 
1 1 1  -21    0   13 o   77.004   1.0403  5767.28  155.267  5719.19  215.242  5819.46  224.193   76.672   1.4473   77.336   1.4947 -0.000000 0.000000 
1 1 1  -21    0   14 o   87.950   5.1012  7624.05  270.460  7608.54  274.158  8187.38  1652.13   88.420   1.5985   87.480   10.076 -0.000000 0.000000 
1 1 1  -21    0   15 o   19.608   5.8486  498.050   84.037  503.290   84.229 -646.4139  1244.78   22.486   1.9642   16.730   11.531 -0.000000 0.000000 
1 1 1  -21    0   16 o   40.985   8.1842  2709.11  131.011  2719.39  131.599  1565.96  1387.30   52.845   1.2846   29.125   16.318 -0.000000 0.000000 
1 1 1  -21    0   17 o   37.731   1.3838  1390.17  101.045  1390.17  101.045   0.0000   0.0000   37.731   1.3838   37.731   1.3838 -0.000000 0.000000 
1 1 1  -21    0   18 o   7.5502   4.0508   80.864   81.663   80.864   81.663   0.0000   0.0000   7.5502   4.0508   7.5502   4.0508 -0.000000 0.000000 
1 1 1  -21    0   19 o   18.705   2.4252  359.029   83.972  359.029   83.972   0.0000   0.0000   18.705   2.4252   18.705   2.4252 -0.000000 0.000000 
1 1 1  -21    0   20 o   31.200   1.5325  955.358   92.307  955.358   92.307   0.0000   0.0000   31.200   1.5325   31.200   1.5325 -0.000000 0.000000 
1 1 1  -21    0   21 o   7.7889   4.1077   88.668   82.749   88.668   82.749   0.0000   0.0000   7.7889   4.1077   7.7889   4.1077 -0.000000 0.000000 
1 1 1  -21    0   22 o   10.027   4.2802  143.583   84.910  143.583   84.910   0.0000   0.0000   10.027   4.2802   10.027   4.2802 -0.000000 0.000000 
1 1 1  -21    0   23 o   6.1159   3.7415   35.646   84.701   35.646   84.701   0.0000   0.0000   6.1159   3.7415   6.1159   3.7415 -0.000000 0.000000 
1 1 1  -21    0   24 o   11.703   4.2421  183.631   88.505  183.631   88.505   0.0000   0.0000   11.703   4.2421   11.703   4.2421 -0.000000 0.000000 
1 1 1  -21    0   25 o   48.511   1.3919  2308.17  130.832  2308.17  130.832   0.0000   0.0000   48.511   1.3919   48.511   1.3919 -0.000000 0.000000 
1 1 1  -21    0   26 o   16.692   3.5297  316.521  100.611  316.521  100.611   0.0000   0.0000   16.692   3.5297   16.692   3.5297 -0.000000 0.000000 
1 1 1  -21    0   27 o   22.431   2.6550  527.080  111.345  527.080  111.345   0.0000   0.0000   22.431   2.6550   22.431   2.6550 -0.000000 0.000000 
1 1 1  -21    1    1 o   52.770   0.6591  2704.70   67.496  2717.00   96.625  2692.98   94.325   52.887   0.9412   52.654   0.9229 0.2335014 1.318132 
1 1 1  -21    1    2 o   49.402   0.6724  2370.63   64.481  2381.51   91.685  2359.98   90.704   49.514   0.9539   49.290   0.9480 0.2241364 1.344854 
1 1 1  -21    1    3 o   44.794   0.6672  1948.32   58.003  1982.23   83.224  1916.29   80.884   45.173   0.9491   44.416   0.9381 0.7573624 1.334484 
1 1 1  -21    1    4 f   25.260   0.9749  618.299   47.576  708.902   69.368  537.829   65.374   27.004   1.3233   23.517   1.4320 3.486151 1.949862 
1 1 1  -21    1    5 o   42.763   0.6868  1774.40   56.979  1843.05   82.242  1711.02   79.015   43.557   0.9727   41.968   0.9699 1.589046 1.373605 
1 1 1  -21    1    6 o   80.401   0.7608  6278.81  118.719  6382.46  170.059  6180.27  165.810   81.048   1.0809   79.755   1.0710 1.293350 1.521650 
1 1 1  -21    1    7 o   63.804   0.6761  3951.45   83.701  4069.72  120.467  3841.07  116.380   64.726   0.9588   62.882   0.9534 1.844257 1.352151 
1 1 1  -21    1    8 o   19.535   1.1802  371.426   44.745  373.317   62.755  369.470   63.816   19.586   1.6506   19.484   1.6873 0.1023254 2.360338 
1 1 1  -21    1    9 o   80.782   0.7637  6341.36  119.747  6354.21  170.241  6328.79  168.469   80.862   1.0846   80.701   1.0754 0.1610641 1.527345 
1 1 1  -21    1   10 o   31.305   0.7961  951.473   48.323  974.306   70.313  931.036   66.523   31.660   1.1441   30.950   1.1072 0.7095661 1.592141 
1 1 1  -21    1   11 o   42.885   0.6639  1787.44   55.217  1769.75   79.549  1803.89   76.705   42.679   0.9602   43.091   0.9170 -0.4116249 1.327727 
1 1 1  -21    1   12 o   31.043   0.7962  936.266   47.964  953.815   68.760  919.634   66.939   31.326   1.1308   30.759   1.1211 0.5660381 1.592308 
1 1 1  -21    1   13 f   44.209   0.6771  1898.75   58.035  1906.20   84.286  1892.03   80.028   44.290   0.9803   44.128   0.9342 0.1626205 1.354217 
1 1 1  -21    1   14 f   33.707   1.0246  1103.56   66.816  1132.66   99.142  1079.34   90.440   34.110   1.4973   33.304   1.3989 0.8061752 2.049129 
1 1 1  -21    1   15 o   46.216   0.9035  2078.31   81.054  2074.52  114.987  2082.05  114.271   46.173   1.2829   46.258   1.2726 -0.8464813E-01 1.807010 
1 1 1  -21    1   16 o   43.495   0.9223  1844.51   77.751  1785.48  112.003  1899.41  108.017   42.817   1.3476   44.172   1.2597 -1.354408 1.844676 
1 1 1  -21    1   17 o   51.014   0.9078  2534.94   89.891  2488.76  126.912  2581.43  127.339   50.547   1.2934   51.482   1.2742 -0.9352226 1.815655 
1 1 1  -21    1   18 o   13.389   2.2207  183.768   57.119  228.247   83.387  144.450   78.400   14.919   2.9835   11.859   3.2901 3.059942 4.441396 
1 1 1  -21    1   19 o   21.583   1.5797  472.636   63.940  347.263   92.929  585.346   88.111   18.734   2.5554   24.433   1.8578 -5.698496 3.159311 
1 1 1  -21    1   20 o   6.2389   2.0307 -64.0442   57.795 -105.7365   84.529 -27.4442   79.199   5.7527   2.7409   6.7251   2.9970 -0.9723639 4.061375 
1 1 1  -21    1   21 o   47.662   0.9227  2221.22   85.355  2254.44  120.255  2187.49  121.170   48.025   1.2899   47.299   1.3197 0.7262459 1.845407 
1 1 1  -21    1   22 o   10.067   2.4233   94.954   59.403  139.163   82.126   46.445   86.026   11.507   3.4235   8.6268   3.4307 2.880456 4.846676 
1 1 1  -21    1   23 o   13.169   2.3806  187.394   61.709  152.479   87.949  221.250   86.606   11.939   3.5407   14.399   3.1831 -2.460638 4.761163 
1 1 1  -21    1   24 o   8.4538   2.3958   35.586   62.006   82.561   88.724  -9.2621   86.692   9.6166   3.5691   7.2911   3.1971 2.325586 4.791683 
1 1 1  -21    1   25 o   8.7538   2.3381   15.496   67.477  144.130   93.111 -126.7840   97.925   11.517   3.6844   5.9903   2.8797 5.526865 4.676220 
1 1 1  -21    1   26 o   13.793   2.5838  215.155   70.670  247.083  101.499  185.114   98.455   14.812   3.5717   12.775   3.7347 2.037201 5.167624 
1 1 1  -21    1   27 o   15.303   2.4740  267.439   71.872  269.530  100.220  265.225  103.129   15.404   3.4388   15.202   3.5578 0.2018309 4.948034 
1 1 1  -21    2    1 o   99.660   0.8817  9654.66  170.546  9726.34  240.076  9581.63  242.318  100.035   1.2363   99.286   1.2573 0.7493744 1.763308 
1 1 1  -21    2    2 o   33.811   0.7973  1111.24   52.309  1091.54   74.570  1130.33   73.396   33.515   1.1462   34.107   1.1086 -0.5916557 1.594589 
1 1 1  -21    2    3 o   75.850   0.7337  5589.48  108.033  5610.53  153.048  5568.57  152.518   75.992   1.0375   75.707   1.0378 0.2847290 1.467477 
1 1 1  -21    2    4 o   14.923   1.5768  216.420   45.596  229.952   66.947  204.713   62.271   15.356   2.2459   14.490   2.2139 0.8662777 3.153607 
1 1 1  -21    2    5 o   47.668   0.6618  2203.47   61.177  2287.46   89.064  2128.44   84.178   48.527   0.9455   46.810   0.9264 1.716309 1.323685 
1 1 1  -21    2    6 o   41.011   0.6853  1633.78   54.548  1586.70   76.778  1681.76   77.512   40.415   0.9787   41.608   0.9597 -1.193726 1.370670 
1 1 1  -21    2    7 o   63.878   0.6798  3963.48   84.289  3934.24  118.570  3993.36  119.846   63.640   0.9598   64.116   0.9629 -0.4761772 1.359581 
1 1 1  -21    2    8 o   57.560   0.6682  3218.42   74.659  3199.14  105.431  3237.80  105.738   57.387   0.9464   57.733   0.9435 -0.3458138 1.336394 
1 1 1  -21    2    9 o   85.296   0.7835  7069.77  129.712  7138.71  184.834  7002.88  182.077   85.706   1.1110   84.887   1.1050 0.8186569 1.566922 
1 1 1  -21    2   10 o   60.583   0.6774  3567.00   79.639  3524.73  113.722  3607.68  111.563   60.230   0.9727   60.937   0.9431 -0.7065468 1.354843 
1 1 1  -21    2   11 o   11.584   1.8816  133.424   43.951  199.222   63.326   72.275   61.048   14.285   2.2836   8.8823   2.9911 5.403096 3.763167 
1 1 1  -21    2   12 o   76.937   0.7455  5751.29  111.322  5830.52  158.904  5674.92  156.003   77.457   1.0568   76.417   1.0517 1.040047 1.490951 
1 1 1  -21    2   13 o   58.281   0.6717  3298.90   75.958  3351.31  109.271  3249.90  105.661   58.728   0.9585   57.833   0.9412 0.8942184 1.343340 
1 1 1  -21    2   14 o   87.492   1.1226  7454.98  190.640  7434.44  270.933  7475.12  268.297   87.371   1.5975   87.613   1.5775 -0.2424088 2.245117 
1 1 1  -21    2   15 o   8.2792   2.3271   36.163   55.976   22.828   84.279   46.689   74.876   8.1361   3.3374   8.4223   3.2440 -0.2861700 4.654209 
1 1 1  -21    2   16 o   38.578   0.9347  1450.01   69.759  1439.96  102.804  1458.59   94.969   38.449   1.3774   38.708   1.2639 -0.2589035 1.869424 
1 1 1  -21    2   17 o   62.332   0.9437  3782.11  114.064  3855.13  165.785  3716.47  157.181   62.898   1.3578   61.765   1.3110 1.133205 1.887408 
1 1 1  -21    2   18 f   29.394   1.1145  842.596   63.467  919.226   91.520  771.600   88.090   30.684   1.5365   28.104   1.6147 2.580299 2.228963 
1 1 1  -21    2   19 o   11.262   2.3668  127.628   58.032   75.967   83.666  175.527   80.561   9.5256   3.4776   12.999   3.2114 -3.473309 4.733603 
1 1 1  -21    2   20 o   36.901   0.9656  1329.99   69.163  1320.15   97.426  1339.99   98.201   36.764   1.3652   37.039   1.3658 -0.2752380 1.931120 
1 1 1  -21    2   21 o   19.534   1.6126  378.690   61.134  383.521   85.834  373.717   87.092   19.667   2.2483   19.402   2.3124 0.2648735 3.225281 
1 1 1  -21    2   22 o   13.369   2.3056  188.848   59.516  222.002   86.843  159.486   81.726   14.486   3.1759   12.252   3.3432 2.233562 4.611220 
1 1 1  -21    2   23 o   13.345   2.3043  191.001   59.220  179.312   83.295  202.948   84.212   12.918   3.3074   13.773   3.2093 -0.8545618 4.608583 
1 1 1  -21    2   24 o   37.823   1.0678  1410.36   78.370  1467.70  111.806  1354.98  109.884   38.586   1.4927   37.061   1.5274 1.524826 2.135672 
1 1 1  -21    2   25 o   22.800   1.6210  522.866   71.170  622.334  105.154  438.788   96.677   24.831   2.1815   20.768   2.3981 4.063751 3.241920 
1 1 1  -21    2   26 o   24.327   1.4933  601.104   70.182  540.053   99.751  660.950   98.762   23.042   2.2302   25.612   1.9865 -2.570498 2.986586 
1 1 1  -21    2   27 o   9.0798   2.4991   72.750   63.198   52.482  101.166   85.721   80.934   8.8618   3.6483   9.2977   3.4164 -0.4359159 4.998224 
1 1 1  -21    3    1 o   78.119   0.7566  5927.21  114.700  5836.28  160.070  6023.18  164.439   77.504   1.0639   78.734   1.0759 -1.230309 1.513131 
1 1 1  -21    3    2 o   68.807   0.7070  4594.88   94.360  4714.97  136.633  4485.38  130.469   69.665   1.0104   67.949   0.9891 1.716034 1.413936 
1 1 1  -21    3    3 o   49.935   0.6667  2421.97   64.622  2410.39   90.697  2433.91   92.099   49.814   0.9379   50.056   0.9478 -0.2420082 1.333472 
1 1 1  -21    3    4 o   54.462   0.6646  2881.23   70.261  2883.48   99.896  2879.03   98.841   54.483   0.9445   54.441   0.9353 0.4160690E-01 1.329247 
1 1 1  -21    3    5 o   61.896   0.6699  3721.43   80.470  3715.93  112.471  3727.20  115.181   61.850   0.9368   61.943   0.9579 -0.9261322E-01 1.339833 
1 1 1  -21    3    6 o   63.293   0.6752  3891.31   82.960  3910.58  117.795  3872.34  116.857   63.448   0.9564   63.138   0.9535 0.3107948 1.350477 
1 1 1  -21    3    7 o   66.050   0.6877  4238.03   88.173  4195.79  124.612  4280.38  124.779   65.720   0.9768   66.380   0.9684 -0.6596680 1.375443 
1 1 1  -21    3    8 o   54.618   0.6569  2897.83   69.646  2888.09   98.419  2907.59   98.571   54.526   0.9298   54.710   0.9281 -0.1839104 1.313795 
1 1 1  -21    3    9 o   25.915   0.9366  653.402   47.025  647.414   68.502  658.739   64.669   25.801   1.3677   26.029   1.2799 -0.2279072 1.873173 
1 1 1  -21    3   10 o  110.435   0.9410 11860.77  201.723 11846.87  285.108 11874.72  285.452  110.370   1.3307  110.499   1.3308 -0.1296463 1.881984 
1 1 1  -21    3   11 o   94.807   0.8427  8736.40  155.059  8805.51  221.777  8670.31  216.877   95.172   1.2004   94.441   1.1830 0.7312851 1.685395 
1 1 1  -21    3   12 o   96.740   1.0389  9095.73  185.104  9137.92  316.761  9073.86  228.104   96.872   1.6845   96.607   1.2163 0.2649765 2.077739 
1 1 1  -21    3   13 o   43.305   0.6790  1822.22   57.073  1825.61   81.189  1818.91   80.247   43.345   0.9649   43.265   0.9555 0.7913589E-01 1.357954 
1 1 1  -21    3   14 f   12.785   2.3327  167.059   58.626  191.727   82.767  142.219   83.053   13.693   3.1754   11.877   3.4181 1.816862 4.665492 
1 1 1  -21    3   15 o   33.274   1.0360  1077.69   66.625  1083.83   99.091  1072.63   90.008   33.356   1.5304   33.193   1.3969 0.1626205 2.072063 
1 1 1  -21    3   16 f   45.525   0.9113  2017.91   80.411  2019.43  116.966  2016.54  110.726   45.538   1.3232   45.513   1.2533 0.2490616E-01 1.822508 
1 1 1  -21    3   17 f   21.996   1.4128  470.026   59.877  558.155   88.626  396.018   81.215   23.886   1.9114   20.105   2.0810 3.780857 2.825589 
1 1 1  -21    3   18 o   7.9296   2.3040   22.751   56.689   17.176   85.364   27.149   75.822   7.9987   3.3272   7.8606   3.1879 0.1381121 4.607924 
1 1 1  -21    3   19 o   6.8290   2.1466 -33.5421   58.470 -74.8493   85.416   2.8811   80.208   6.2315   2.9014   7.4266   3.1643 -1.195083 4.293159 
1 1 1  -21    3   20 f   19.836   1.5819  392.443   60.181  354.641   89.464  423.685   81.333   18.923   2.4355   20.748   2.0194 -1.825024 3.163766 
1 1 1  -21    3   21 o   7.9327   2.2488   18.219   57.468 -53.2768   85.545   77.023   77.582   6.5357   2.9928   9.3297   3.3572 -2.793968 4.497547 
1 1 1  -21    3   22 f   12.833   2.3087  178.041   58.993  126.277   86.558  222.941   80.615   11.081   3.5532   14.585   2.9487 -3.504613 4.617341 
1 1 1  -21    3   23 o   15.191   2.0948  243.695   60.106  351.653   87.085  145.477   83.064   18.702   2.3988   11.679   3.4349 7.022494 4.189606 
1 1 1  -21    3   24 o   11.301   2.3051  133.845   59.564  211.474   81.604   45.324   87.141   14.058   3.0759   8.5442   3.4342 5.513410 4.610287 
1 1 1  -21    3   25 o   14.432   2.3707  226.661   66.022  298.138   96.986  164.933   90.130   16.646   3.1160   12.218   3.5736 4.428049 4.741327 
1 1 1  -21    3   26 o   16.962   2.2115  316.972   69.603  263.768  105.132  358.490   92.871   15.292   3.6012   18.632   2.5678 -3.340212 4.422917 
1 1 1  -21    3   27 o   7.7199   2.3342 -27.1078   64.513   93.209  105.869 -98.1741   81.365   9.9268   3.8478   5.5131   2.6435 4.413680 4.668430 
1 1 1  -21    4    1 o  132.449   1.0858 17068.45  278.955 16941.00  401.715 17187.14  387.663  131.965   1.5682  132.932   1.5023 -0.9676208 2.171658 
1 1 1  -21    4    2 o   69.454   0.7144  4686.36   96.319  4710.98  136.486  4661.94  135.946   69.636   1.0097   69.273   1.0110 0.3634415 1.428825 
1 1 1  -21    4    3 o   88.400   0.8040  7593.52  137.966  7655.43  195.587  7532.21  194.643   88.758   1.1352   88.041   1.1389 0.7175369 1.608029 
1 1 1  -21    4    4 f   35.702   0.9050  1224.10   60.485  1184.76   75.503  1294.57  101.054   34.918   1.1139   36.487   1.4268 -1.568951 1.810095 
1 1 1  -21    4    5 o   78.534   0.7458  5991.95  113.685  6067.76  161.509  5917.50  160.051   79.027   1.0528   78.042   1.0565 0.9849167 1.491513 
1 1 1  -21    4    6 o   49.094   0.6605  2342.74   62.907  2281.63   89.787  2401.65   88.163   48.464   0.9544   49.724   0.9134 -1.260151 1.321030 
1 1 1  -21    4    7 o   64.264   0.6792  4011.19   84.718  4048.28  121.070  3975.60  118.587   64.555   0.9661   63.973   0.9549 0.5814857 1.358433 
1 1 1  -21    4    8 o   18.411   1.2659  328.074   45.083  368.768   66.503  293.470   61.326   19.462   1.7603   17.360   1.8198 2.102144 2.531861 
1 1 1  -21    4    9 o   32.291   0.7843  1013.19   49.147  1048.34   70.026  979.078   68.993   32.843   1.0984   31.739   1.1198 1.104284 1.568560 
1 1 1  -21    4   10 o   28.620   0.8571  801.194   47.154  756.949   70.679  836.685   63.302   27.900   1.3050   29.340   1.1115 -1.440411 1.714204 
1 1 1  -21    4   11 o  104.992   0.9143 10718.30  186.335 10781.04  265.201 10657.14  261.866  105.295   1.2975  104.689   1.2886 0.6054764 1.828640 
1 1 1  -21    4   12 o   86.897   0.7977  7339.94  134.554  7370.62  189.830  7308.96  190.749   87.080   1.1230   86.714   1.1332 0.3661575 1.595403 
1 1 1  -21    4   13 o   23.746   1.0155  548.750   46.766  547.857   67.611  549.568   64.755   23.726   1.4680   23.766   1.4036 -0.3977203E-01 2.031049 
1 1 1  -21    4   14 o   47.370   0.9233  2185.25   84.715  2146.09  123.373  2220.18  116.531   46.964   1.3533   47.776   1.2565 -0.8119812 1.846671 
1 1 1  -21    4   15 o   7.8451   2.2514   19.157   54.913 -13.8651   77.222   52.936   78.102   6.9664   3.0370   8.7239   3.3245 -1.757576 4.502835 
1 1 1  -21    4   16 o   35.609   0.9895  1234.21   68.229  1250.87  100.352  1219.90   93.043   35.827   1.4429   35.390   1.3544 0.4379044 1.978994 
1 1 1  -21    4   17 o   55.943   0.9177  3052.53   99.537  2943.51  142.654  3155.96  138.953   54.962   1.3371   56.924   1.2575 -1.961700 1.835495 
1 1 1  -21    4   18 o   21.194   1.4568  441.202   59.778  433.598   87.345  447.901   81.986   21.013   2.1413   21.376   1.9759 -0.3621788 2.913633 
1 1 1  -21    4   19 o   47.711   0.9151  2217.00   84.334  2256.39  126.146  2185.17  113.403   48.083   1.3515   47.340   1.2341 0.7433052 1.830149 
1 1 1  -21    4   20 o   37.911   0.9956  1403.30   73.080  1421.43  107.533  1387.74   99.621   38.130   1.4528   37.692   1.3616 0.4378929 1.991124 
1 1 1  -21    4   21 o   43.492   0.9441  1850.01   79.666  1857.39  114.676  1843.13  110.756   43.570   1.3559   43.413   1.3143 0.1570663 1.888298 
1 1 1  -21    4   22 o   22.099   1.4155  479.065   60.394  546.590   90.901  425.703   80.807   23.479   1.9944   20.718   2.0093 2.761709 2.831071 
1 1 1  -21    4   23 o   7.0091   2.1873 -28.6798   60.812 -86.7812   88.954   22.300   83.325   6.1391   2.8911   7.8791   3.2832 -1.739964 4.374673 
1 1 1  -21    4   24 o   21.286   1.5883  457.096   65.328  436.112   95.616  475.468   89.466   20.785   2.3698   21.788   2.1153 -1.003120 3.176587 
1 1 1  -21    4   25 o   21.063   1.6784  450.659   68.294  511.141   98.499  394.667   94.774   22.468   2.2584   19.658   2.4836 2.810230 3.356876 
1 1 1  -21    4   26 o   9.1989   2.5544   62.435   69.075  106.964   95.908   14.441   99.568   10.283   3.7281   8.1146   3.4931 2.168563 5.108820 
1 1 1  -21    4   27 o   19.374   2.0052  427.073   66.712  323.291  110.578  486.461   83.649   16.857   3.4941   21.892   1.9684 -5.035486 4.010386 
1 1 1  -21    5    1 o  113.046   0.9677 12426.63  212.325 12337.58  302.384 12513.24  298.206  112.645   1.3829  113.448   1.3541 -0.8032150 1.935450 
1 1 1  -21    5    2 o   66.230   0.6979  4260.93   89.720  4282.72  127.732  4239.71  126.051   66.397   0.9910   66.063   0.9829 0.3337250 1.395821 
1 1 1  -21    5    3 o  109.073   0.9244 11565.09  195.721 11549.92  276.239 11580.38  277.346  109.001   1.3055  109.144   1.3090 -0.1431580 1.848788 
1 1 1  -21    5    4 o  101.038   0.8795  9920.17  172.475 10143.05  245.975  9704.59  241.908  102.155   1.2404   99.922   1.2472 2.233101 1.758994 
1 1 1  -21    5    5 o   85.191   0.7911  7049.27  130.793  7184.35  187.477  6921.17  182.561   85.985   1.1232   84.396   1.1143 1.588844 1.582194 
1 1 1  -21    5    6 o   35.119   0.7388  1198.41   50.357  1223.58   71.226  1173.25   71.204   35.488   1.0339   34.750   1.0556 0.7382507 1.477577 
1 1 1  -21    5    7 o   18.787   1.2332  343.367   44.892  346.806   65.643  340.345   61.529   18.874   1.7917   18.700   1.6950 0.1736240 2.466390 
1 1 1  -21    5    8 o   75.173   0.7286  5490.62  106.319  5469.62  150.255  5511.68  150.462   75.029   1.0317   75.317   1.0291 -0.2880630 1.457196 
1 1 1  -21    5    9 o   71.543   0.7106  4973.50   98.681  4960.38  140.179  4986.38  138.940   71.449   1.0107   71.637   0.9991 -0.1879044 1.421196 
1 1 1  -21    5   10 o   62.609   0.6714  3809.09   81.579  3761.36  115.981  3855.82  114.768   62.220   0.9603   62.998   0.9385 -0.7778854 1.342719 
1 1 1  -21    5   11 o   49.430   0.6519  2371.84   62.469  2409.29   91.015  2338.49   85.895   49.798   0.9415   49.063   0.9019 0.7352180 1.303795 
1 1 1  -21    5   12 o  107.579   0.9308 11255.14  194.379 11411.54  275.864 11100.93  273.932  108.322   1.3119  106.836   1.3209 1.485809 1.861685 
1 1 1  -21    5   13 o   25.190   0.9552  617.343   46.699  622.061   65.660  612.513   66.433   25.288   1.3376   25.092   1.3639 0.1959572 1.910348 
1 1 1  -21    5   14 o   32.821   1.0639  1051.34   67.210  1028.44  101.276  1069.36   89.846   32.494   1.6056   33.148   1.3963 -0.6545334 2.127824 
1 1 1  -21    5   15 o   64.252   0.9573  4015.34  119.300  4103.03  172.859  3935.57  164.857   64.919   1.3717   63.586   1.3356 1.333576 1.914526 
1 1 1  -21    5   16 o   50.384   0.9020  2470.65   88.070  2490.95  128.518  2452.68  120.928   50.575   1.3091   50.193   1.2411 0.3815422 1.803904 
1 1 1  -21    5   17 o   26.720   1.1170  694.411   57.687  721.345   86.323  672.676   77.546   27.181   1.6360   26.259   1.5213 0.9224815 2.234058 
1 1 1  -21    5   18 o   23.893   1.3179  562.803   60.621  523.022   89.680  596.274   82.261   23.094   2.0004   24.692   1.7162 -1.597712 2.635753 
1 1 1  -21    5   19 o   9.8055   2.4105   84.141   55.406  110.823   88.091   66.677   71.267   10.734   3.5931   8.8772   3.2144 1.856660 4.821062 
1 1 1  -21    5   20 f   39.832   0.9634  1557.38   73.938  1479.61  109.835  1621.83   99.985   38.900   1.4545   40.764   1.2636 -1.863537 1.926726 
1 1 1  -21    5   21 o   46.888   0.9071  2149.34   82.282  2151.25  121.504  2147.72  111.825   46.893   1.3348   46.883   1.2287 0.1033401E-01 1.814246 
1 1 1  -21    5   22 o   22.633   1.4133  509.701   61.882  477.214   89.183  539.866   85.937   21.911   2.0968   23.355   1.8955 -1.444309 2.826567 
1 1 1  -21    5   23 o   23.456   1.4301  542.987   64.837  611.158   96.820  487.556   87.304   24.783   2.0126   22.130   2.0323 2.652819 2.860214 
1 1 1  -21    5   24 o   8.2279   2.2973   15.419   62.433 -86.3618   91.304  104.802   85.563   6.2231   2.9302   10.233   3.5389 -4.009738 4.594523 
1 1 1  -21    5   25 o   9.6541   2.5365   59.705   68.377  159.053  104.868 -13.7691   90.184   12.023   3.9160   7.2850   3.2249 4.738210 5.072956 
1 1 1  -21    5   26 o   12.066   2.3954  170.270   59.944  110.055  100.975  203.041   74.491   10.437   3.8189   13.695   2.8928 -3.258088 4.790861 
1 1 1  -21    5   27 o   24.533   1.4568  594.343   67.521  698.760  111.946  534.635   84.653   26.083   2.2110   22.982   1.8975 3.100750 2.913582 
1 1 1  -21    6    1 o   24.171   1.0357  572.600   48.169  648.494   67.372  493.238   68.894   25.826   1.3439   22.517   1.5762 3.309942 2.071334 
1 1 1  -21    6    2 o   13.407   1.8396  180.407   46.723  205.091   65.107  154.197   67.091   14.500   2.3130   12.314   2.8613 2.186488 3.679286 
1 1 1  -21    6    3 o   61.105   0.6835  3625.24   81.050  3731.55  116.079  3524.10  113.218   61.978   0.9648   60.231   0.9683 1.747623 1.366963 
1 1 1  -21    6    4 o   47.451   0.6696  2187.25   61.679  2178.65   87.328  2195.81   87.127   47.358   0.9499   47.545   0.9440 -0.1863365 1.339240 
1 1 1  -21    6    5 o   75.183   0.7313  5488.20  106.691  5611.29  153.517  5373.21  148.381   75.997   1.0406   74.368   1.0278 1.628731 1.462656 
1 1 1  -21    6    6 o   76.485   0.7429  5683.64  110.301  5715.37  156.263  5652.12  155.717   76.697   1.0496   76.272   1.0517 0.4257355 1.485850 
1 1 1  -21    6    7 o   43.156   0.6740  1807.51   56.416  1851.29   81.777  1767.74   77.932   43.654   0.9650   42.658   0.9411 0.9954910 1.347958 
1 1 1  -21    6    8 o   37.923   0.7058  1399.31   51.882  1346.10   74.473  1449.48   72.319   37.220   1.0308   38.626   0.9645 -1.405556 1.411647 
1 1 1  -21    6    9 o   32.629   0.7425  1033.59   46.943  1050.67   68.717  1018.65   64.278   32.880   1.0766   32.377   1.0227 0.5029755 1.484960 
1 1 1  -21    6   10 o   34.074   0.7281  1129.34   48.076  1108.29   69.743  1148.40   66.363   33.770   1.0639   34.379   0.9944 -0.6084061 1.456294 
1 1 1  -21    6   11 o   22.685   1.0237  501.096   44.930  553.781   64.091  450.184   63.004   23.861   1.3837   21.509   1.5090 2.351662 2.047351 
1 1 1  -21    6   12 o   51.101   0.6711  2537.27   66.556  2456.99   93.755  2618.82   94.497   50.286   0.9605   51.917   0.9377 -1.631004 1.342278 
1 1 1  -21    6   13 o   62.120   0.6760  3749.07   81.505  3709.47  114.106  3790.31  116.460   61.786   0.9514   62.455   0.9606 -0.6689453 1.352000 
1 1 1  -21    6   14 o   27.567   1.2116  745.004   63.489  718.179   99.553  763.393   82.426   27.134   1.8901   28.000   1.5165 -0.8660183 2.423252 
1 1 1  -21    6   15 o   25.928   1.2726  657.853   63.721  635.682   94.114  676.619   86.586   25.515   1.9002   26.340   1.6934 -0.8249683 2.545233 
1 1 1  -21    6   16 o  112.828   1.3751 12448.19  301.148 12384.05  422.525 12514.42  429.332  112.537   1.9342  113.119   1.9552 -0.5816193 2.750240 
1 1 1  -21    6   17 o   35.791   0.9829  1243.60   67.651  1285.17  103.705  1212.80   89.258   36.300   1.4717   35.282   1.3033 1.018333 1.965826 
1 1 1  -21    6   18 o   10.996   2.4513  112.631   57.964  158.700   93.213   83.585   74.014   12.440   3.6330   9.5510   3.2921 2.889213 4.902699 
1 1 1  -21    6   19 o   60.588   0.9418  3582.68  110.629  3577.76  160.384  3587.15  152.797   60.540   1.3648   60.636   1.2981 -0.9598923E-01 1.883550 
1 1 1  -21    6   20 o   17.473   1.8092  331.788   54.918  219.009   85.799  410.063   71.479   14.508   3.1378   20.437   1.8018 -5.928276 3.618304 
1 1 1  -21    6   21 o   8.5241   2.2880   29.530   56.568  112.501   86.597 -32.2297   74.712   10.668   3.5625   6.3806   2.8719 4.286914 4.575977 
1 1 1  -21    6   22 o   16.558   1.9047  284.000   58.290  262.672   90.552  299.091   76.169   15.808   3.0614   17.308   2.2671 -1.499424 3.809463 
1 1 1  -21    6   23 o   18.049   1.8441  327.953   64.281  345.532   96.807  314.089   85.969   18.452   2.7027   17.646   2.5098 0.8065777 3.688283 
1 1 1  -21    6   24 o   22.267   1.5201  495.690   65.515  520.436   97.195  475.084   88.692   22.757   2.2002   21.777   2.0981 0.9803905 3.040239 
1 1 1  -21    6   25 o   8.9814   2.2845   40.226   61.585 -71.8856   87.106  152.279   87.083   6.1963   2.8998   11.767   3.5309 -5.570186 4.569065 
1 1 1  -21    6   26 f   8.0558   2.3819   30.508   60.504   28.716  100.615   31.523   75.725   8.4293   3.5659   7.6822   3.1588 0.7471571 4.763751 
1 1 1  -21    6   27 o   8.7374   2.4978   54.772   64.252   74.537  102.890   42.137   82.263   9.3936   3.7468   8.0812   3.3040 1.312367 4.995549 
1 1 1  -21    7    1 o   57.415   0.6797  3202.38   75.729  3201.96  105.627  3202.83  108.630   57.412   0.9478   57.418   0.9746 -0.6416321E-02 1.359471 
1 1 1  -21    7    2 o   46.964   0.6688  2138.25   60.850  2077.90   83.041  2208.23   89.423   46.251   0.9249   47.678   0.9662 -1.426655 1.337552 
1 1 1  -21    7    3 o   70.710   0.7173  4856.97   98.441  4819.89  138.036  4895.35  140.429   70.436   1.0096   70.985   1.0191 -0.5485687 1.434511 
1 1 1  -21    7    4 o   96.490   0.8547  9048.75  160.080  9095.54  226.768  9002.27  226.009   96.739   1.2076   96.242   1.2098 0.4974823 1.709311 
1 1 1  -21    7    5 o  110.966   0.9464 11971.03  203.864 12023.08  289.528 11919.84  287.102  111.205   1.3412  110.728   1.3357 0.4777069 1.892886 
1 1 1  -21    7    6 o   20.544   1.1572  407.199   45.852  478.709   68.090  347.866   62.022   22.182   1.5813   18.906   1.6900 3.276112 2.314444 
1 1 1  -21    7    7 o   20.729   1.0874  418.170   43.739  408.345   62.154  427.808   61.563   20.486   1.5629   20.971   1.5123 -0.4841537 2.174807 
1 1 1  -21    7    8 o   58.775   0.6621  3355.15   75.526  3282.72  105.875  3430.20  107.770   58.129   0.9383   59.421   0.9343 -1.291622 1.324135 
1 1 1  -21    7    9 o   24.628   0.9532  590.544   45.487  577.334   65.892  602.572   62.872   24.362   1.3933   24.893   1.3011 -0.5302811 1.906361 
1 1 1  -21    7   10 o   56.722   0.8422  3103.90   85.285  3067.73  101.921  3188.38  155.758   56.193   0.9344   57.252   1.4015 -1.059471 1.684412 
1 1 1  -21    7   11 o   27.810   0.8541  749.607   46.025  715.738   62.809  788.884   67.638   27.134   1.1925   28.485   1.2232 -1.351578 1.708272 
1 1 1  -21    7   12 o   33.270   0.7924  1076.95   51.127  1045.30   73.237  1107.03   71.406   32.791   1.1506   33.748   1.0900 -0.9572372 1.584885 
1 1 1  -21    7   13 o   33.441   0.7785  1089.34   50.411  1007.19   71.591  1170.13   70.996   32.186   1.1458   34.697   1.0541 -2.510498 1.556950 
1 1 1  -21    7   14 o   24.157   1.3281  571.889   61.496  551.705   93.824  587.090   81.425   23.771   2.0333   24.543   1.7091 -0.7717533 2.656191 
1 1 1  -21    7   15 o   75.252   1.0336  5517.31  150.930  5338.83  213.129  5696.85  213.767   74.027   1.4832   76.477   1.4399 -2.450089 2.067171 
1 1 1  -21    7   16 o   58.470   0.9535  3338.16  107.884  3214.10  157.098  3448.90  148.414   57.429   1.4092   59.510   1.2847 -2.080982 1.906934 
1 1 1  -21    7   17 o   21.927   1.4664  485.330   59.862  414.281   95.239  531.731   76.966   20.526   2.3903   23.329   1.6996 -2.802975 2.932900 
1 1 1  -21    7   18 o   69.865   0.9897  4759.61  133.941  4806.78  196.365  4718.56  183.166   70.177   1.4415   69.553   1.3566 0.6248856 1.979469 
1 1 1  -21    7   19 o   16.420   1.7506  263.732   55.055  284.553   86.378  249.487   71.449   16.940   2.6268   15.900   2.3149 1.040444 3.501269 
1 1 1  -21    7   20 o   30.998   1.0669  951.901   62.973  872.824   96.649  1010.24   83.012   29.837   1.6687   32.159   1.3298 -2.321682 2.133712 
1 1 1  -21    7   21 o   7.8478   2.2794   15.324   55.814   59.982   87.932 -14.8079   72.229   9.0859   3.5110   6.6098   2.9078 2.476032 4.558772 
1 1 1  -21    7   22 o   16.279   2.0265  287.164   59.703  212.146   92.359  341.014   78.251   14.062   3.4171   18.496   2.1794 -4.434053 4.052949 
1 1 1  -21    7   23 o   11.333   2.2781  123.697   57.537   46.384   77.134  220.675   86.389   8.2870   3.2634   14.380   3.1793 -6.092884 4.556112 
1 1 1  -21    7   24 f   11.313   2.5869  135.720   64.859  148.461   93.264  123.787   90.258   11.731   3.6798   10.895   3.6371 0.8357582 5.173879 
1 1 1  -21    7   25 o   9.2596   2.5545   69.112   66.300   67.481   92.737   70.817   94.824   9.1901   3.5904   9.3292   3.6345 -0.1390505 5.108920 
1 1 1  -21    7   26 o   10.423   2.5046   92.592   61.173  192.426  104.398   40.390   75.491   12.939   3.8622   7.9064   3.1898 5.033010 5.009170 
1 1 1  -21    7   27 o   12.993   2.3289  209.370   66.699   71.467  112.051  285.045   83.006   9.5070   3.8680   16.480   2.5947 -6.972683 4.657704 
1 1 1  -21    8    1 o   95.160   0.8599  8802.94  158.819  8854.40  222.861  8749.84  226.388   95.444   1.2029   94.876   1.2292 0.5682449 1.719857 
1 1 1  -21    8    2 o   85.976   0.7950  7184.52  132.650  7268.97  186.474  7098.01  188.738   86.489   1.1107   85.463   1.1377 1.025620 1.589942 
1 1 1  -21    8    3 o  128.283   1.0718 16009.96  266.748 15921.03  383.142 16093.61  371.600  127.932   1.5428  128.633   1.4882 -0.7015533 2.143594 
1 1 1  -21    8    4 o   38.881   0.7289  1467.39   54.986  1511.77   79.314  1426.32   76.297   39.446   1.0358   38.315   1.0258 1.130630 1.457811 
1 1 1  -21    8    5 o   75.041   0.7258  5470.17  105.716  5568.76  150.518  5374.18  148.512   75.708   1.0242   74.374   1.0287 1.334732 1.451598 
1 1 1  -21    8    6 o   43.192   0.6753  1810.95   56.600  1867.76   81.389  1757.74   78.763   43.848   0.9562   42.537   0.9539 1.310841 1.350635 
1 1 1  -21    8    7 o  101.204   0.8884  9954.37  174.500 10140.61  249.360  9775.64  244.278  102.131   1.2578  100.277   1.2549 1.854378 1.776755 
1 1 1  -21    8    8 o   40.787   0.6954  1617.90   55.004  1573.76   78.921  1659.59   76.701   40.245   1.0102   41.330   0.9560 -1.085300 1.390888 
1 1 1  -21    8    9 o   37.195   0.7165  1342.17   51.664  1385.31   75.376  1303.94   70.952   37.757   1.0284   36.632   0.9978 1.124435 1.432906 
1 1 1  -21    8   10 o   35.289   0.7182  1208.83   49.155  1182.63   67.833  1237.80   71.331   34.887   1.0016   35.690   1.0296 -0.8034096 1.436428 
1 1 1  -21    8   11 f   54.347   0.6635  2868.78   69.983  2909.67  100.215  2829.86   97.772   54.725   0.9434   53.970   0.9333 0.7551842 1.326997 
1 1 1  -21    8   12 o   58.784   0.6711  3355.46   76.552  3431.58  110.194  3284.45  106.425   59.427   0.9552   58.140   0.9430 1.287140 1.342261 
1 1 1  -21    8   13 o   54.713   0.6636  2908.50   70.463  2924.44  100.801  2893.27   98.536   54.859   0.9466   54.567   0.9303 0.2919655 1.327164 
1 1 1  -21    8   14 o   38.380   0.9989  1440.12   73.412  1394.65  112.561  1473.79   96.843   37.841   1.5324   38.920   1.2818 -1.079067 1.997803 
1 1 1  -21    8   15 o   60.001   0.9486  3513.06  110.177  3380.24  160.008  3632.81  151.933   58.912   1.3992   61.091   1.2812 -2.178391 1.897136 
1 1 1  -21    8   16 o   83.618   1.1239  6822.79  182.301  6795.10  262.434  6848.62  253.428   83.445   1.6201   83.790   1.5581 -0.3450241 2.247787 
1 1 1  -21    8   17 o   65.806   0.9605  4221.12  122.544  4223.66  177.730  4218.81  169.192   65.818   1.3911   65.794   1.3247 0.2402496E-01 1.920935 
1 1 1  -21    8   18 o   36.347   0.9537  1295.61   66.138  1249.55  102.508  1328.45   86.566   35.773   1.4762   36.922   1.2078 -1.148579 1.907321 
1 1 1  -21    8   19 o   22.368   1.2627  500.801   53.448  433.733   81.862  550.636   70.565   21.005   2.0076   23.730   1.5319 -2.724854 2.525331 
1 1 1  -21    8   20 o   20.520   1.4403  411.719   56.763  437.046   87.879  393.586   74.356   21.040   2.1517   20.001   1.9151 1.038235 2.880526 
1 1 1  -21    8   21 o   17.489   1.7264  302.900   58.221  326.038   88.661  285.358   77.198   18.054   2.5299   16.924   2.3498 1.129211 3.452810 
1 1 1  -21    8   22 o   33.110   1.0721  1087.26   68.041  1012.40  102.586  1146.05   90.915   32.044   1.6492   34.176   1.3704 -2.132248 2.144291 
1 1 1  -21    8   23 o   21.740   1.4706  474.325   61.206  450.201   93.198  492.620   81.161   21.197   2.2650   22.283   1.8763 -1.085949 2.941234 
1 1 1  -21    8   24 o   20.839   1.5765  429.841   63.220  510.323   96.792  369.961   83.488   22.516   2.2145   19.162   2.2445 3.354321 3.153071 
1 1 1  -21    8   25 o   11.804   2.3819  154.354   56.478  142.028   92.948  161.569   71.111   11.413   3.6843   12.195   3.0199 -0.7818699 4.763803 
1 1 1  -21    8   26 o   11.613   2.5143  138.302   60.205  204.704  102.999  103.840   74.201   13.335   3.7966   9.8916   3.2976 3.443597 5.028696 
1 1 1  -21    8   27 o   6.9972   2.2465 -61.9660   63.265   42.934  110.308 -113.3850   77.229   8.8614   3.7403   5.1330   2.4893 3.728383 4.492962 
1 1 1  -21    9    1 o   96.153   0.8607  8988.42  160.595  9035.51  224.615  8939.18  229.700   96.412   1.2002   95.893   1.2340 0.5194321 1.721372 
1 1 1  -21    9    2 o   90.120   0.8289  7894.03  144.988  7942.70  204.110  7844.47  205.989   90.401   1.1631   89.838   1.1812 0.5626450 1.657725 
1 1 1  -21    9    3 o   24.535   0.9577  588.274   45.379  637.907   63.053  534.943   65.359   25.617   1.2680   23.453   1.4356 2.163475 1.915430 
1 1 1  -21    9    4 o   93.537   0.8524  8502.90  154.767  8590.70  220.349  8417.41  217.427   94.013   1.2074   93.060   1.2036 0.9526443 1.704852 
1 1 1  -21    9    5 o   62.555   0.6831  3800.69   82.929  3838.57  118.825  3764.71  115.793   62.859   0.9738   62.252   0.9582 0.6068001 1.366208 
1 1 1  -21    9    6 o   75.636   0.7381  5558.92  108.363  5550.57  154.228  5567.06  152.287   75.580   1.0512   75.693   1.0364 -0.1133804 1.476230 
1 1 1  -21    9    7 o   29.316   0.8420  840.825   47.590  772.026   69.589  901.271   65.228   28.179   1.2722   30.453   1.1034 -2.274040 1.684066 
1 1 1  -21    9    8 o   44.358   0.6695  1910.69   57.603  1934.20   83.411  1889.27   79.646   44.618   0.9631   44.098   0.9304 0.5198021 1.339093 
1 1 1  -21    9    9 o   19.706   1.1438  373.958   43.467  439.562   65.080  321.127   58.403   21.251   1.5776   18.161   1.6566 3.089798 2.287616 
1 1 1  -21    9   10 o   39.306   0.6832  1503.69   52.033  1429.37   74.493  1574.50   72.712   38.354   1.0005   40.257   0.9305 -1.903164 1.366328 
1 1 1  -21    9   11 o   68.400   0.8671  4553.88  107.562  4534.78  189.388  4562.97  130.684   68.272   1.4290   68.527   0.9824 -0.2547455 1.734153 
1 1 1  -21    9   12 o   32.976   1.0531  1073.66   61.718  1097.51   74.149  1019.88  111.356   33.600   1.1369   32.352   1.7731 1.247478 2.106292 
1 1 1  -21    9   13 o   20.793   1.1237  421.293   45.219  417.870   66.446  424.246   61.715   20.711   1.6527   20.875   1.5230 -0.1631565 2.247460 
1 1 1  -21    9   14 o   15.700   1.9778  239.849   57.290  374.097   88.505  143.029   75.162   19.551   2.3320   11.848   3.1950 7.703393 3.955519 
1 1 1  -21    9   15 o   62.332   0.9583  3787.51  115.696  3721.48  168.510  3846.40  159.130   61.810   1.4044   62.854   1.3042 -1.044365 1.916625 
1 1 1  -21    9   16 o   63.271   0.9708  3900.24  118.806  3909.74  175.735  3892.24  161.234   63.332   1.4295   63.211   1.3140 0.1208687 1.941646 
1 1 1  -21    9   17 o   70.815   1.0118  4896.62  138.917  4742.12  199.397  5042.33  193.646   69.718   1.4734   71.912   1.3872 -2.194023 2.023651 
1 1 1  -21    9   18 o   42.750   0.9234  1777.41   75.341  1809.25  118.343  1755.71   97.697   43.053   1.4160   42.447   1.1857 0.6060371 1.846896 
1 1 1  -21    9   19 o   13.421   2.1980  191.379   55.301  163.539   89.025  208.872   70.567   12.545   3.5150   14.296   2.6401 -1.750974 4.396035 
1 1 1  -21    9   20 o   33.538   0.9968  1089.96   64.139  1164.24   99.830  1037.75   83.700   34.487   1.4912   32.589   1.3231 1.897800 1.993543 
1 1 1  -21    9   21 o   18.894   1.6513  368.065   58.335  278.076   86.808  442.163   78.771   16.634   2.6884   21.154   1.9183 -4.519697 3.302628 
1 1 1  -21    9   22 o   18.454   1.6171  337.642   56.348  354.679   91.816  327.349   71.367   18.764   2.5208   18.144   2.0263 0.6196861 3.234253 
1 1 1  -21    9   23 o   13.683   2.2261  193.775   58.873  281.274   89.689  127.531   78.039   16.370   2.9299   10.995   3.3523 5.375557 4.452229 
1 1 1  -21    9   24 o   30.010   1.2206  907.962   69.925  754.396  101.801  1045.13   96.213   27.496   1.9073   32.525   1.5239 -5.028414 2.441294 
1 1 1  -21    9   25 o   9.9375   2.4036  102.762   56.009   75.970   91.798  118.651   70.692   9.3829   3.5974   10.492   3.1887 -1.109183 4.807177 
1 1 1  -21    9   26 o   16.809   2.0637  306.366   61.374  289.275  105.383  315.137   75.499   16.041   3.4840   17.577   2.2127 -1.535582 4.127319 
1 1 1  -21    9   27 o   14.513   2.3594  247.283   64.817  194.766  108.428  276.487   80.855   12.788   3.9606   16.237   2.5652 -3.449578 4.718730 
1 1 1  -21   10    1 o   75.285   0.7426  5508.77  108.504  5566.61  152.260  5449.09  154.663   75.687   1.0363   74.882   1.0640 0.8055420 1.485291 
1 1 1  -21   10    2 o   23.019   1.0427  515.965   46.442  569.682   66.209  463.935   65.161   24.202   1.4093   21.836   1.5373 2.365717 2.085498 
1 1 1  -21   10    3 o   54.244   0.6654  2858.41   70.065  2869.83   99.223  2847.05   98.951   54.352   0.9404   54.136   0.9416 0.2162132 1.330811 
1 1 1  -21   10    4 o   36.177   0.7281  1270.48   51.087  1298.94   74.051  1244.64   70.571   36.563   1.0433   35.791   1.0157 0.7714500 1.456128 
1 1 1  -21   10    5 f   53.386   0.6607  2763.65   68.405  2930.51   99.071  2611.63   94.564   54.924   0.9292   51.849   0.9396 3.074734 1.321449 
1 1 1  -21   10    6 o   62.371   0.6784  3776.69   82.100  3909.40  117.879  3651.68  114.413   63.434   0.9573   61.307   0.9614 2.126789 1.356715 
1 1 1  -21   10    7 f   17.266   1.3106  291.052   43.295  229.708   59.873  358.286   62.681   15.350   2.0094   19.183   1.6833 -3.833279 2.621280 
1 1 1  -21   10    8 o   29.733   0.8403  859.195   48.490  873.051   69.291  845.898   67.881   29.968   1.1911   29.498   1.1855 0.4694710 1.680506 
1 1 1  -21   10    9 o   74.225   0.7324  5350.41  105.476  5465.01  151.863  5243.60  146.608   74.992   1.0432   73.458   1.0281 1.533531 1.464704 
1 1 1  -21   10   10 o   51.071   0.6514  2533.21   64.571  2495.26   90.328  2572.86   92.339   50.680   0.9182   51.461   0.9244 -0.7817650 1.302871 
1 1 1  -21   10   11 o   40.085   0.6946  1561.18   54.009  1566.01   77.863  1556.71   74.980   40.144   0.9992   40.026   0.9650 0.1177101 1.389114 
1 1 1  -21   10   12 o   14.200   1.6533  204.517   43.496  160.722   63.090  244.191   60.048   12.578   2.6668   15.823   1.9550 -3.245430 3.306590 
1 1 1  -21   10   13 o   56.060   0.6628  3054.07   72.126  3016.84  101.937  3091.41  102.066   55.718   0.9425   56.403   0.9322 -0.6851463 1.325632 
1 1 1  -21   10   14 o   82.658   1.1108  6652.88  177.959  6736.85  259.659  6578.51  244.379   83.142   1.6089   82.175   1.5320 0.9671555 2.221601 
1 1 1  -21   10   15 o   58.647   0.9532  3362.85  107.807  3222.79  159.995  3479.32  145.901   57.511   1.4332   59.783   1.2572 -2.271957 1.906452 
1 1 1  -21   10   16 o   85.492   1.1472  7135.27  190.161  7106.97  275.230  7161.11  263.042   85.317   1.6619   85.666   1.5818 -0.3481903 2.294312 
1 1 1  -21   10   17 o   86.791   1.1616  7364.13  195.581  7154.19  278.556  7568.25  274.671   85.558   1.6772   88.024   1.6075 -2.465775 2.323152 
1 1 1  -21   10   18 f   37.690   1.0110  1410.12   71.734  1283.21  113.486  1494.57   92.574   36.223   1.6139   39.157   1.2179 -2.933159 2.021907 
1 1 1  -21   10   19 o   10.720   2.3891  117.072   55.481   86.349   93.096  133.993   69.091   10.061   3.6691   11.380   3.0609 -1.318581 4.778256 
1 1 1  -21   10   20 o   17.148   1.8046  282.990   57.316  387.555   92.270  217.291   73.138   19.756   2.4060   14.541   2.6902 5.215179 3.609168 
1 1 1  -21   10   21 o   25.620   1.1410  654.097   55.853  582.377   83.775  711.484   74.937   24.304   1.7757   26.936   1.4332 -2.632517 2.281925 
1 1 1  -21   10   22 o   18.273   1.6954  336.367   59.220  329.778   91.486  341.119   77.692   18.062   2.6094   18.485   2.1652 -0.4230595 3.390700 
1 1 1  -21   10   23 f   13.755   2.2750  204.173   58.396  195.013   95.204  209.698   73.938   13.384   3.5901   14.126   2.7953 -0.7419939 4.550021 
1 1 1  -21   10   24 o   8.8238   2.3309   66.849   50.924   69.952   91.204   65.443   61.384   9.2676   3.5772   8.3799   2.9894 0.8877211 4.661845 
1 1 1  -21   10   25 o   17.890   1.9562  370.553   57.608  252.070  100.295  428.888   70.374   15.045   3.5001   20.736   1.7484 -5.690673 3.912485 
1 1 1  -21   10   26 o   11.305   2.5291  127.867   60.176  201.542  104.716   91.540   73.530   13.181   3.8511   9.4286   3.2795 3.752118 5.058219 
1 1 1  -21   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   11    1 o   74.220   0.7391  5351.04  106.462  5443.33  152.606  5263.54  148.594   74.842   1.0504   73.597   1.0401 1.245506 1.478239 
1 1 1  -21   11    2 o   81.440   0.7766  6446.70  122.741  6491.64  172.197  6400.28  175.000   81.730   1.0854   81.150   1.1109 0.5796356 1.553124 
1 1 1  -21   11    3 o   24.738   0.9637  593.972   46.227  559.255   63.852  632.213   67.013   23.980   1.3717   25.497   1.3540 -1.516901 1.927388 
1 1 1  -21   11    4 o   49.437   0.6570  2373.55   63.038  2328.12   88.209  2420.96   90.120   48.954   0.9282   49.920   0.9300 -0.9664612 1.313976 
1 1 1  -21   11    5 o   43.530   0.6788  1838.64   57.321  1904.58   82.968  1778.42   79.286   44.275   0.9653   42.784   0.9547 1.491070 1.357671 
1 1 1  -21   11    6 o   21.043   1.1067  429.697   45.139  460.704   65.844  402.202   62.002   21.757   1.5590   20.329   1.5712 1.428715 2.213389 
1 1 1  -21   11    7 o   62.933   0.6792  3846.14   82.935  3904.82  119.588  3791.76  115.116   63.395   0.9718   62.472   0.9493 0.9229889 1.358480 
1 1 1  -21   11    8 o   41.256   0.6772  1654.27   54.146  1776.97   77.090  1534.80   76.067   42.767   0.9286   39.744   0.9860 3.023422 1.354399 
1 1 1  -21   11    9 o   19.166   1.2140  357.463   45.115  362.143   65.580  353.258   62.161   19.283   1.7520   19.048   1.6811 0.2354412 2.428094 
1 1 1  -21   11   10 f   92.573   0.8536  8330.73  153.391  8409.01  218.507  8254.67  215.383   93.002   1.2103   92.145   1.2041 0.8566513 1.707299 
1 1 1  -21   11   11 o   22.871   0.9687  510.108   42.743  497.116   63.649  520.780   57.685   22.602   1.4507   23.140   1.2842 -0.5381374 1.937422 
1 1 1  -21   11   12 o   59.840   0.6747  3479.64   78.365  3503.35  110.761  3455.88  110.889   60.044   0.9503   59.635   0.9579 0.4087410 1.349301 
1 1 1  -21   11   13 o   34.806   0.9622  1159.15   58.766  1133.60   69.200  1225.22  111.290   34.149   1.0439   35.463   1.6166 -1.314617 1.924377 
1 1 1  -21   11   14 o   73.155   1.0269  5220.36  145.592  5016.03  209.086  5412.68  202.852   71.754   1.5011   74.555   1.4016 -2.800995 2.053754 
1 1 1  -21   11   15 o   36.005   1.0156  1270.85   69.219  1228.44  109.922  1298.72   89.104   35.487   1.5957   36.523   1.2568 -1.035748 2.031212 
1 1 1  -21   11   16 o   53.102   0.9412  2760.96   95.882  2654.21  145.687  2842.53  127.351   52.175   1.4385   54.029   1.2143 -1.854588 1.882436 
1 1 1  -21   11   17 o   19.583   1.8006  409.077   61.067  303.369  100.295  471.353   76.982   17.221   3.1149   21.946   1.8070 -4.725245 3.601150 
1 1 1  -21   11   18 o   41.208   0.9414  1630.15   73.543  1778.26  119.561  1540.00   93.277   42.671   1.4434   39.746   1.2090 2.924595 1.882838 
1 1 1  -21   11   19 o   42.024   0.9563  1755.08   76.341  1545.44  116.356  1913.54  101.158   39.750   1.5079   44.298   1.1764 -4.547672 1.912526 
1 1 1  -21   11   20 f   18.064   1.7115  334.129   56.712  291.647   93.721  358.670   71.233   17.052   2.8314   19.077   1.9236 -2.024853 3.422984 
1 1 1  -21   11   21 o   42.975   0.9121  1806.47   75.329  1818.44  115.085  1797.51   99.639   43.074   1.3764   42.876   1.1971 0.1980286 1.824152 
1 1 1  -21   11   22 o   29.819   1.1112  870.040   63.840  925.312   97.491  828.547   84.469   30.622   1.6401   29.016   1.4997 1.606394 2.222344 
1 1 1  -21   11   23 o   17.860   1.7962  323.298   60.210  321.630   98.203  324.303   76.216   17.726   2.8539   17.994   2.1820 -0.2680645 3.592457 
1 1 1  -21   11   24 o   22.559   1.3769  516.764   55.897  486.895   97.993  531.169   68.054   21.936   2.3013   23.182   1.5123 -1.245985 2.753779 
1 1 1  -21   11   25 o   28.977   1.2107  858.328   60.471  788.339  113.202  886.276   71.533   27.943   2.0869   30.010   1.2279 -2.066507 2.421383 
1 1 1  -21   11   26 o   9.2658   2.4626   80.845   57.528   69.561  104.567   85.743   68.891   9.3856   3.7656   9.1460   3.1747 0.2396021 4.925284 
1 1 1  -21   12    1 o   57.402   0.6865  3200.17   76.455  3351.82  109.252  3054.62  107.029   58.735   0.9582   56.069   0.9834 2.665871 1.373022 
1 1 1  -21   12    2 o   55.880   0.6670  3033.75   72.343  3029.82  102.739  3037.62  101.884   55.843   0.9478   55.916   0.9387 -0.7245255E-01 1.333910 
1 1 1  -21   12    3 o   13.544   1.7153  188.050   42.967  242.027   59.854  130.656   61.719   15.758   1.9568   11.331   2.8178 4.426176 3.430568 
1 1 1  -21   12    4 o   25.788   0.9551  648.237   47.595  722.937   67.596  574.789   67.027   27.267   1.2771   24.308   1.4205 2.959091 1.910155 
1 1 1  -21   12    5 o   22.315   1.0456  484.608   45.222  482.456   65.723  486.544   62.321   22.266   1.5206   22.364   1.4356 -0.9726143E-01 2.091166 
1 1 1  -21   12    6 o   22.847   1.0249  507.587   45.416  479.926   63.526  536.506   64.954   22.209   1.4735   23.484   1.4248 -1.274590 2.049731 
1 1 1  -21   12    7 o   38.834   0.7092  1467.39   53.380  1413.35   76.644  1518.30   74.387   38.137   1.0353   39.530   0.9694 -1.393444 1.418306 
1 1 1  -21   12    8 o   59.307   0.6747  3414.18   77.606  3490.22  112.520  3345.19  107.179   59.935   0.9671   58.678   0.9409 1.256847 1.349337 
1 1 1  -21   12    9 o   29.783   0.8233  861.255   47.522  879.268   69.479  845.420   65.143   30.074   1.1901   29.492   1.1379 0.5825500 1.646566 
1 1 1  -21   12   10 o   34.448   0.7485  1151.42   50.011  1098.06   69.154  1209.93   72.411   33.613   1.0599   35.284   1.0572 -1.670952 1.496999 
1 1 1  -21   12   11 f   9.3814   2.1148   82.798   44.059  106.995   63.684   60.583   61.020   10.336   2.9984   8.4263   2.9832 1.910190 4.229641 
1 1 1  -21   12   12 o   74.766   0.7389  5433.31  107.217  5440.53  153.338  5426.40  149.973   74.814   1.0559   74.719   1.0340 0.9490204E-01 1.477826 
1 1 1  -21   12   13 o   30.389   1.0346  881.828   54.661  938.222  105.257  861.004   63.962   31.020   1.7480   29.757   1.1073 1.263498 2.069201 
1 1 1  -21   12   14 o   58.831   0.9232  3376.78  105.070  3266.60  153.660  3473.53  143.992   57.919   1.3667   59.742   1.2416 -1.823353 1.846494 
1 1 1  -21   12   15 o   11.859   2.3596  146.818   56.984  110.779   91.453  169.689   72.856   10.862   3.6609   12.856   2.9779 -1.994015 4.719106 
1 1 1  -21   12   16 o   50.691   0.9107  2477.24   88.404  2657.98  138.716  2353.62  114.718   52.220   1.3684   49.163   1.2021 3.056824 1.821436 
1 1 1  -21   12   17 o   47.185   0.9087  2158.89   81.716  2229.89  129.369  2111.76  105.405   47.809   1.3940   46.561   1.1662 1.247898 1.817458 
1 1 1  -21   12   18 o   6.8475   2.1128 -20.6502   51.836   18.537   84.771 -44.0538   65.512   7.9831   3.3178   5.7120   2.6169 2.271092 4.225591 
1 1 1  -21   12   19 o   30.075   1.1224  877.111   62.841  915.605  105.994  856.247   78.034   30.544   1.7877   29.607   1.3578 0.9374657 2.244860 
1 1 1  -21   12   20 o   47.993   0.9202  2265.53   84.709  2156.89  128.371  2349.32  112.740   46.938   1.4089   49.049   1.1841 -2.111095 1.840397 
1 1 1  -21   12   21 o   31.076   1.0917  972.565   63.032  860.388  101.952  1041.97   80.195   29.525   1.7788   32.626   1.2662 -3.100435 2.183481 
1 1 1  -21   12   22 o   38.507   0.9150  1461.23   68.035  1360.56   99.118  1550.93   93.555   37.223   1.3718   39.792   1.2112 -2.569752 1.829934 
1 1 1  -21   12   23 o   7.3806   2.2726  -3.3663   60.655 -27.6571   96.293   12.611   78.096   7.3440   3.2864   7.4172   3.1398 -0.7323551E-01 4.545230 
1 1 1  -21   12   24 o   19.058   1.5304  376.382   52.467  336.007   90.468  396.844   64.405   18.120   2.5720   19.995   1.6593 -1.875652 3.060827 
1 1 1  -21   12   25 o   22.938   1.4003  496.854   55.990  606.309  110.137  458.708   65.019   24.381   2.3271   21.496   1.5582 2.885197 2.800626 
1 1 1  -21   12   26 o   7.1552   2.1930   5.8838   56.055 -63.6419  103.233   34.954   66.753   6.8905   3.2021   7.4198   2.9974 -0.5293131 4.386091 
1 1 1  -21   13    1 o   37.694   0.7234  1380.74   52.925  1376.00   75.324  1385.38   74.381   37.630   1.0312   37.759   1.0148 -0.1287003 1.446773 
1 1 1  -21   13    2 o  105.437   0.9272 10807.82  189.704 10701.74  264.216 10920.69  272.544  104.905   1.2975  105.968   1.3249 -1.063385 1.854421 
1 1 1  -21   13    3 o   15.117   1.5536  223.166   45.538  210.688   64.350  235.683   64.451   14.691   2.2565   15.543   2.1362 -0.8516293 3.107233 
1 1 1  -21   13    4 o   61.248   0.6735  3644.74   80.054  3646.65  112.085  3642.75  114.377   61.265   0.9425   61.231   0.9623 0.3412628E-01 1.346944 
1 1 1  -21   13    5 o   67.933   0.6999  4483.96   92.290  4445.87  130.075  4522.58  130.965   67.642   0.9906   68.224   0.9889 -0.5812149 1.399741 
1 1 1  -21   13    6 o   52.746   0.6606  2701.56   67.617  2769.96   96.930  2636.74   94.370   53.396   0.9352   52.096   0.9332 1.299686 1.321121 
1 1 1  -21   13    7 o   60.599   0.6791  3565.25   79.857  3693.00  114.684  3445.01  111.263   61.652   0.9583   59.546   0.9626 2.106236 1.358245 
1 1 1  -21   13    8 o   98.617   0.8987  9456.18  172.045  9433.02  242.270  9479.74  244.360   98.496   1.2671   98.739   1.2749 -0.2425385 1.797489 
1 1 1  -21   13    9 o   23.937   1.0032  557.428   46.609  548.380   65.794  566.544   66.038   23.742   1.4276   24.133   1.4097 -0.3907204 2.006313 
1 1 1  -21   13   10 o  124.093   1.0980 14989.88  264.501 14970.29  373.573 15009.57  374.552  124.012   1.5518  124.174   1.5539 -0.1621246 2.196072 
1 1 1  -21   13   11 o   57.586   0.6642  3221.54   74.239  3173.55  104.043  3271.32  105.964   57.149   0.9379   58.023   0.9408 -0.8734093 1.328408 
1 1 1  -21   13   12 o   44.745   0.6579  1942.95   57.064  1992.62   83.289  1899.00   78.340   45.282   0.9475   44.207   0.9129 1.074528 1.315756 
1 1 1  -21   13   13 o   61.445   0.8510  3649.45   93.773  3733.49  169.702  3612.51  112.511   61.925   1.4118   60.965   0.9507 0.9596977 1.702026 
1 1 1  -21   13   14 o   22.457   1.4028  460.052   57.834  596.683  104.323  399.432   69.489   24.687   2.1770   20.228   1.7697 4.458706 2.805541 
1 1 1  -21   13   15 f   57.427   0.9330  3208.21  102.293  3236.94  160.181  3188.43  132.928   57.626   1.4320   57.229   1.1966 0.3963966 1.866079 
1 1 1  -21   13   16 o   57.383   0.9430  3229.81  103.751  3065.84  157.323  3356.00  138.018   56.065   1.4456   58.701   1.2112 -2.635967 1.885926 
1 1 1  -21   13   17 o   9.9972   2.3859   96.355   52.712   59.883  102.193  109.576   61.528   9.6316   3.7674   10.363   2.9288 -0.7312641 4.771866 
1 1 1  -21   13   18 o   34.180   1.0010  1141.67   62.227  1139.41  108.988  1142.77   75.797   34.118   1.6456   34.243   1.1403 -0.1256409 2.002091 
1 1 1  -21   13   19 o   11.631   2.2448  134.969   50.856  167.242   83.728  116.103   64.018   12.646   3.3553   10.615   2.9830 2.031445 4.489619 
1 1 1  -21   13   20 o   22.965   1.3541  493.343   58.167  624.760   99.906  425.951   71.544   25.131   2.0480   20.800   1.7719 4.330910 2.708108 
1 1 1  -21   13   21 o   16.120   1.9550  265.444   56.505  271.344   96.833  262.398   69.579   16.016   3.2261   16.225   2.2092 -0.2084026 3.910060 
1 1 1  -21   13   22 o   29.722   1.0341  869.407   59.320  863.397   88.599  874.292   79.863   29.607   1.5416   29.837   1.3789 -0.2297707 2.068280 
1 1 1  -21   13   23 o   33.651   1.0021  1103.77   59.053  1140.71  111.429  1089.34   69.637   33.938   1.6914   33.364   1.0752 0.5735855 2.004233 
1 1 1  -21   13   24 o   17.541   1.6481  318.840   50.902  295.277   91.985  329.240   61.111   16.892   2.8052   18.190   1.7307 -1.298006 3.296126 
1 1 1  -21   13   25 o   23.195   1.4775  553.921   58.727  521.531  111.404  566.386   69.109   22.487   2.5522   23.903   1.4894 -1.416252 2.954970 
1 1 1  -21   13   26 o   7.0794   2.2147  -2.6274   53.086   5.2741  104.892  -5.3481   61.550   8.0244   3.5177   6.1343   2.6918 1.890094 4.429466 
1 1 1  -21   14    1 o   57.503   0.6798  3212.99   75.831  3223.05  105.495  3202.23  109.077   57.597   0.9436   57.409   0.9788 0.1884613 1.359533 
1 1 1  -21   14    2 o   35.531   0.7292  1226.49   50.214  1322.99   71.814  1134.17   70.238   36.899   1.0026   34.162   1.0592 2.736767 1.458432 
1 1 1  -21   14    3 o   41.069   0.6894  1637.92   54.941  1600.40   76.587  1677.69   78.860   40.585   0.9721   41.553   0.9777 -0.9681778 1.378704 
1 1 1  -21   14    4 o   50.551   0.6681  2480.49   65.531  2559.44   94.434  2407.17   91.010   51.326   0.9478   49.776   0.9419 1.549873 1.336244 
1 1 1  -21   14    5 o  111.779   0.9904 12154.79  214.868 12087.37  306.166 12220.23  301.624  111.471   1.4149  112.087   1.3863 -0.6159897 1.980832 
1 1 1  -21   14    6 o   30.210   0.8183  886.396   47.955  906.704   69.326  867.763   66.405   30.541   1.1694   29.879   1.1449 0.6621037 1.636519 
1 1 1  -21   14    7 o   68.846   0.7115  4605.02   95.085  4647.92  135.477  4563.38  133.486   69.162   1.0091   68.530   1.0034 0.6313705 1.423081 
1 1 1  -21   14    8 o   42.768   0.6880  1781.76   56.968  1664.80   81.552  1893.23   79.613   41.391   1.0150   44.144   0.9291 -2.752651 1.375992 
1 1 1  -21   14    9 o   93.460   0.8615  8492.90  156.302  8493.49  221.216  8492.31  220.872   93.463   1.2193   93.457   1.2175 0.6248474E-02 1.723066 
1 1 1  -21   14   10 o   10.215   1.7319  102.075   41.762  -2.9271   61.716  190.772   56.722   6.4488   2.7624   13.982   2.0899 -7.532730 3.463897 
1 1 1  -21   14   11 o   36.717   0.7083  1301.41   50.266  1404.41   75.459  1219.25   67.396   38.013   1.0226   35.421   0.9802 2.592346 1.416527 
1 1 1  -21   14   12 o   36.279   0.9987  1269.41   62.838  1255.27   73.633  1307.30  120.546   35.934   1.0556   36.624   1.6956 -0.6905975 1.997326 
1 1 1  -21   14   13 o   65.971   0.8844  4254.21  103.796  4187.35  188.681  4283.22  124.294   65.563   1.4825   66.379   0.9646 -0.8160782 1.768719 
1 1 1  -21   14   14 o   42.936   0.9329  1792.67   74.793  1805.08  124.267  1785.62   93.656   43.033   1.4876   42.839   1.1262 0.1934319 1.865859 
1 1 1  -21   14   15 o   33.076   1.0784  1057.20   65.555  1098.09  113.553  1036.76   80.285   33.526   1.7448   32.626   1.2676 0.8992615 2.156709 
1 1 1  -21   14   16 o   15.175   2.1600  236.410   57.538  223.685  104.568  241.936   68.908   14.660   3.6801   15.690   2.2625 -1.030374 4.319967 
1 1 1  -21   14   17 o   22.392   1.5032  494.875   58.919  488.364  109.986  497.496   69.776   22.225   2.5493   22.558   1.5934 -0.3327160 3.006317 
1 1 1  -21   14   18 o   27.020   1.2209  724.876   57.444  693.815  107.359  737.335   67.996   26.551   2.0830   27.490   1.2742 -0.9394150 2.441861 
1 1 1  -21   14   19 o   31.435   1.0583  970.747   60.773  956.717  105.158  977.782   74.467   31.219   1.7353   31.652   1.2120 -0.4332638 2.116616 
1 1 1  -21   14   20 o   61.416   0.9399  3703.21  111.547  3556.19  163.802  3830.35  152.326   60.248   1.4006   62.585   1.2538 -2.337177 1.879826 
1 1 1  -21   14   21 o   57.611   0.9377  3266.59  104.148  3134.81  154.820  3375.53  140.757   56.508   1.4114   58.715   1.2350 -2.207664 1.875423 
1 1 1  -21   14   22 o   44.541   0.9090  1937.56   77.037  1985.26  122.288  1906.18   99.195   44.951   1.4015   44.131   1.1579 0.8191490 1.817937 
1 1 1  -21   14   23 o   24.473   1.2738  575.216   53.135  637.865  106.267  554.332   61.355   25.202   2.1722   23.744   1.3312 1.457739 2.547667 
1 1 1  -21   14   24 o   13.577   2.1117  196.338   51.085  204.423   91.320  192.656   61.630   13.581   3.4555   13.572   2.4284 0.8850098E-02 4.223426 
1 1 1  -21   14   25 o   9.3080   2.3382   89.154   53.122   17.566  108.757  111.585   60.878   8.4616   3.6465   10.155   2.9276 -1.692931 4.676311 
1 1 1  -21   14   26 o   8.1525   2.3180  -2.9113   53.181  136.055  106.509 -49.0620   61.379   11.070   3.9389   5.2349   2.4448 5.835166 4.635946 
1 1 1  -21   15    1 f   38.250   0.7331  1420.87   54.352  1406.78   74.654  1436.76   79.284   38.049   1.0108   38.450   1.0622 -0.4009819 1.466274 
1 1 1  -21   15    2 o   76.156   0.7449  5636.13  110.096  5635.03  154.192  5637.27  157.252   76.150   1.0431   76.163   1.0636 -0.1326752E-01 1.489757 
1 1 1  -21   15    3 o   66.860   0.6999  4342.93   90.822  4443.44  129.226  4244.82  127.671   67.625   0.9844   66.096   0.9951 1.529442 1.399727 
1 1 1  -21   15    4 o   20.567   1.1573  414.750   45.783  474.144   64.327  353.776   65.176   22.075   1.5012   19.059   1.7617 3.015726 2.314535 
1 1 1  -21   15    5 o   27.761   0.8820  749.950   47.423  738.983   69.174  759.675   65.141   27.567   1.2927   27.954   1.2004 -0.3868618 1.764089 
1 1 1  -21   15    6 o   55.744   0.6707  3018.72   72.568  3060.27  103.196  2978.07  102.068   56.123   0.9472   55.364   0.9497 0.7590218 1.341341 
1 1 1  -21   15    7 o   54.936   0.6632  2932.01   70.720  2898.99   99.644  2965.52  100.385   54.625   0.9397   55.248   0.9360 -0.6234093 1.326357 
1 1 1  -21   15    8 o   21.547   1.0639  463.176   43.324  356.460   63.094  558.386   59.596   19.132   1.6989   23.962   1.2812 -4.830833 2.127863 
1 1 1  -21   15    9 o   29.336   0.8139  836.856   46.247  833.844   67.618  839.504   63.392   29.285   1.1895   29.388   1.1112 -0.1024704 1.627774 
1 1 1  -21   15   10 o   79.684   0.7693  6159.37  118.819  6404.17  173.780  5944.45  162.825   81.166   1.1030   78.202   1.0726 2.964149 1.538505 
1 1 1  -21   15   11 o   24.785   0.8895  598.007   42.511  593.419   63.788  601.673   57.019   24.697   1.3306   24.874   1.1809 -0.1775341 1.779018 
1 1 1  -21   15   12 o   49.012   0.6565  2334.33   62.449  2282.35   87.866  2387.39   88.772   48.460   0.9340   49.563   0.9227 -1.103386 1.312930 
1 1 1  -21   15   13 o   42.956   0.8384  1783.93   63.855  1823.61  117.872  1767.45   75.968   43.271   1.4033   42.641   0.9178 0.6290855 1.676781 
1 1 1  -21   15   14 o   39.217   0.9307  1515.03   69.282  1410.01  107.929  1588.62   90.355   38.032   1.4619   40.402   1.1521 -2.370281 1.861310 
1 1 1  -21   15   15 o   50.537   0.8897  2474.76   86.031  2562.65  134.480  2413.87  111.931   51.279   1.3510   49.795   1.1580 1.483898 1.779349 
1 1 1  -21   15   16 o   30.454   1.1091  928.749   61.492  836.748  104.482  977.505   76.060   29.235   1.8411   31.673   1.2371 -2.438364 2.218122 
1 1 1  -21   15   17 o   23.150   1.3891  522.643   58.285  535.912  103.371  516.459   70.573   23.317   2.2838   22.982   1.5819 0.3354282 2.778156 
1 1 1  -21   15   18 o   22.165   1.4645  508.370   56.135  426.607  102.054  543.839   67.216   20.744   2.5344   23.586   1.4681 -2.842598 2.928921 
1 1 1  -21   15   19 o   56.328   0.9182  3116.54   99.253  2983.37  150.412  3219.26  132.094   55.225   1.4031   57.431   1.1849 -2.206146 1.836460 
1 1 1  -21   15   20 o   17.504   1.5387  283.127   50.360  417.523   84.469  209.013   62.727   20.512   2.1215   14.496   2.2292 6.015559 3.077300 
1 1 1  -21   15   21 o   42.979   0.9612  1839.96   77.420  1701.22  124.456  1927.53   98.880   41.570   1.5423   44.388   1.1476 -2.818588 1.922401 
1 1 1  -21   15   22 o   29.041   1.0710  872.286   51.722  747.463  100.502  917.254   60.323   27.441   1.8867   30.641   1.0142 -3.200140 2.142022 
1 1 1  -21   15   23 o   11.387   2.3785  122.459   50.435  186.099  101.566  101.630   58.105   12.964   3.7941   9.8109   2.8693 3.152765 4.756936 
1 1 1  -21   15   24 o   49.156   0.8513  2411.31   75.491  2274.31  132.138  2477.69   91.979   47.983   1.4187   50.329   0.9415 -2.345669 1.702632 
1 1 1  -21   15   25 o   15.479   2.1037  234.839   54.476  308.669  111.168  211.507   62.494   16.556   3.5645   14.401   2.2355 2.155107 4.207452 
1 1 1  -21   15   26 o   18.145   1.9000  346.798   58.403  359.496  109.638  341.767   69.009   17.937   3.2692   18.354   1.9370 -0.4163857 3.799963 
1 1 1  -21   16    1 o   49.685   0.6672  2399.38   64.325  2444.21   90.310  2353.23   91.642   50.157   0.9276   49.213   0.9593 0.9440460 1.334379 
1 1 1  -21   16    2 o   66.705   0.6917  4324.38   89.527  4363.39  125.245  4283.62  128.022   67.014   0.9628   66.396   0.9933 0.6176453 1.383317 
1 1 1  -21   16    3 o   8.2534   2.0034   43.356   44.723  109.943   63.138 -23.6997   63.360   10.460   2.9706   6.0474   2.6887 4.412165 4.006718 
1 1 1  -21   16    4 o   73.674   0.7414  5273.83  106.022  5323.06  151.486  5226.58  148.436   74.010   1.0544   73.337   1.0427 0.6727448 1.482898 
1 1 1  -21   16    5 o   92.229   0.8568  8264.82  153.345  8067.45  213.633  8474.60  220.244   91.095   1.2081   93.364   1.2152 -2.269478 1.713580 
1 1 1  -21   16    6 o   85.637   0.8096  7128.41  134.587  7075.07  189.469  7182.74  191.213   85.314   1.1441   85.961   1.1459 -0.6464844 1.619261 
1 1 1  -21   16    7 o   92.202   0.8556  8265.16  153.141  8325.70  217.423  8205.55  215.733   92.537   1.2104   91.867   1.2097 0.6700363 1.711284 
1 1 1  -21   16    8 o   35.735   0.7202  1234.82   49.831  1351.22   73.433  1135.46   67.842   37.288   1.0145   34.182   1.0224 3.106777 1.440346 
1 1 1  -21   16    9 o   23.325   0.9711  529.405   43.864  527.749   64.231  530.853   60.046   23.288   1.4208   23.361   1.3241 -0.7230186E-01 1.942168 
1 1 1  -21   16   10 o   35.207   0.7192  1204.26   49.098  1214.39   71.276  1195.12   67.729   35.347   1.0388   35.067   0.9950 0.2795029 1.438423 
1 1 1  -21   16   11 o   23.311   0.9377  530.532   42.285  496.948   61.032  561.534   58.639   22.596   1.3914   24.026   1.2573 -1.429647 1.875350 
1 1 1  -21   16   12 o   46.359   0.6429  2086.11   57.817  2015.26   79.997  2163.59   83.656   45.536   0.9050   47.182   0.9134 -1.645504 1.285812 
1 1 1  -21   16   13 f   12.668   2.1076  168.542   46.772  139.075   93.349  178.419   54.044   11.833   3.6765   13.504   2.0617 -1.671310 4.215135 
1 1 1  -21   16   14 o  114.985   1.4508 12941.93  323.746 12515.35  453.489 13385.31  462.331  113.046   2.0665  116.924   2.0370 -3.877853 2.901698 
1 1 1  -21   16   15 o   9.9608   2.4197   78.556   54.893  135.540   94.993   49.987   67.260   11.702   3.7191   8.2199   3.0963 3.481695 4.839333 
1 1 1  -21   16   16 o   47.075   0.9046  2151.50   81.025  2204.50  128.657  2116.66  104.309   47.534   1.3943   46.616   1.1527 0.9182167 1.809127 
1 1 1  -21   16   17 o   23.301   1.3205  549.124   55.118  487.917   96.092  579.136   67.287   22.252   2.2247   24.351   1.4235 -2.099451 2.641093 
1 1 1  -21   16   18 o   31.005   1.1014  947.967   61.640  921.338  108.728  960.579   74.827   30.633   1.8285   31.377   1.2285 -0.7445831 2.202870 
1 1 1  -21   16   19 o   46.648   0.9269  2163.73   81.148  1974.19  129.509  2286.24  104.121   44.889   1.4863   48.407   1.1081 -3.518154 1.853855 
1 1 1  -21   16   20 o   52.879   0.8928  2745.48   90.348  2680.40  139.113  2792.96  118.817   52.297   1.3703   53.462   1.1449 -1.164799 1.785676 
1 1 1  -21   16   21 o   40.967   0.9274  1646.92   71.562  1643.29  116.080  1649.15   90.888   40.878   1.4629   41.056   1.1404 -0.1781769 1.854879 
1 1 1  -21   16   22 o   22.515   1.3258  530.429   49.219  450.158   96.346  558.775   57.253   21.155   2.3461   23.874   1.2354 -2.718790 2.651511 
1 1 1  -21   16   23 o   40.961   0.9049  1642.60   63.893  1664.53  123.093  1634.52   74.752   41.028   1.5456   40.895   0.9417 0.1332321 1.809837 
1 1 1  -21   16   24 o   20.845   1.5486  453.209   59.551  389.819   96.468  492.238   75.695   19.477   2.5516   22.213   1.7555 -2.736689 3.097108 
1 1 1  -21   16   25 o   34.617   1.0719  1219.41   63.833  1127.31  120.151  1255.63   75.346   33.486   1.8484   35.748   1.0858 -2.261414 2.143724 
1 1 1  -21   16   26 o   9.4332   2.4944   80.942   55.156  110.402  110.355   71.132   63.680   10.390   3.9536   8.4763   3.0425 1.913772 4.988767 
1 1 1  -21   17    1 o   43.352   0.7280  1827.78   61.107  1846.18   83.697  1806.78   89.424   43.588   0.9892   43.116   1.0684 0.4718819 1.456050 
1 1 1  -21   17    2 o   57.730   0.6903  3234.38   77.288  3151.81  106.537  3326.11  112.293   56.954   0.9636   58.506   0.9888 -1.551945 1.380662 
1 1 1  -21   17    3 o   37.209   0.7409  1343.50   53.443  1308.67   73.386  1382.82   77.983   36.697   1.0302   37.721   1.0650 -1.023685 1.481739 
1 1 1  -21   17    4 o   93.899   0.8696  8571.53  158.493  8491.78  222.069  8654.34  226.277   93.455   1.2241   94.344   1.2356 -0.8887253 1.739264 
1 1 1  -21   17    5 o   36.441   0.7267  1287.18   51.330  1351.87   75.121  1230.53   70.300   37.297   1.0376   35.585   1.0177 1.712357 1.453384 
1 1 1  -21   17    6 o   25.373   0.9513  626.201   46.828  625.818   67.344  626.559   65.160   25.364   1.3678   25.381   1.3225 -0.1686478E-01 1.902592 
1 1 1  -21   17    7 o   75.580   0.7449  5550.87  109.257  5594.04  156.476  5509.79  152.621   75.866   1.0625   75.294   1.0442 0.5717087 1.489740 
1 1 1  -21   17    8 o   38.156   0.7001  1416.05   51.678  1268.66   72.421  1568.96   73.767   36.130   1.0326   40.183   0.9457 -4.053486 1.400218 
1 1 1  -21   17    9 o   45.756   0.6433  2031.63   57.068  2085.55   83.134  1983.58   78.479   46.329   0.9244   45.184   0.8948 1.145134 1.286517 
1 1 1  -21   17   10 o   55.491   0.6593  2990.16   70.994  3082.69  101.995  2903.19   98.880   56.323   0.9329   54.659   0.9319 1.664303 1.318625 
1 1 1  -21   17   11 o   27.726   0.8156  747.458   43.816  751.116   64.021  744.235   60.097   27.789   1.1868   27.664   1.1191 0.1242447 1.631242 
1 1 1  -21   17   12 o   39.772   0.6668  1534.18   51.392  1594.53   75.431  1481.89   70.208   40.499   0.9595   39.045   0.9263 1.454594 1.333663 
1 1 1  -21   17   13 o   29.672   1.0967  859.273   52.764  857.455  111.037  859.803   59.966   29.612   1.9317   29.731   1.0390 -0.1190090 2.193388 
1 1 1  -21   17   14 o   23.705   1.4750  583.302   60.079  477.123  109.608  628.904   71.831   22.014   2.5650   25.396   1.4571 -3.382383 2.949937 
1 1 1  -21   17   15 o   22.671   1.4607  507.563   56.806  496.483  109.324  511.661   66.486   22.444   2.5093   22.897   1.4958 -0.4533043 2.921314 
1 1 1  -21   17   16 o   50.784   0.9104  2505.86   86.898  2550.90  142.459  2479.17  109.663   51.117   1.4357   50.450   1.1198 0.6663399 1.820747 
1 1 1  -21   17   17 o   54.374   0.8895  2879.32   92.373  2910.38  144.510  2857.86  120.117   54.598   1.3635   54.150   1.1427 0.4474106 1.779026 
1 1 1  -21   17   18 o   39.431   0.9355  1526.72   68.053  1492.68  115.219  1544.95   84.335   39.052   1.5199   39.811   1.0913 -0.7584534 1.871098 
1 1 1  -21   17   19 o   27.454   1.1902  744.792   57.778  731.515  105.924  750.416   68.936   27.205   2.0058   27.702   1.2819 -0.4971123 2.380429 
1 1 1  -21   17   20 o   33.564   0.9886  1112.95   61.551  1077.58  102.674  1132.80   76.901   33.091   1.5984   34.038   1.1639 -0.9471245 1.977257 
1 1 1  -21   17   21 o   14.346   1.9795  251.182   45.982  140.871   90.213  289.899   53.446   11.547   3.6186   17.145   1.6059 -5.598415 3.958944 
1 1 1  -21   17   22 o   47.961   0.8462  2271.85   70.578  2215.16  132.810  2294.17   83.316   47.434   1.4424   48.487   0.8852 -1.052654 1.692327 
1 1 1  -21   17   23 o   8.1464   2.3111   41.031   48.949   54.506  100.757   36.868   56.001   9.1108   3.6819   7.1820   2.7945 1.928720 4.622239 
1 1 1  -21   17   24 o   14.318   1.9929  209.198   50.013  238.428   92.692  197.194   59.402   14.691   3.3275   13.945   2.1943 0.7457294 3.985868 
1 1 1  -21   17   25 o   11.062   2.1909  152.046   54.830   22.143  105.075  200.654   64.275   8.3810   3.5976   13.744   2.5013 -5.362960 4.381719 
1 1 1  -21   18    1 o   17.583   1.4278  305.476   47.408  320.101   61.248  283.616   74.879   18.126   1.7407   17.040   2.2638 1.086494 2.855650 
1 1 1  -21   18    2 o   47.247   0.6924  2172.64   63.346  2227.19   87.269  2111.89   92.096   47.877   0.9390   46.617   1.0177 1.260166 1.384739 
1 1 1  -21   18    3 o   38.804   0.7352  1466.02   55.274  1524.68   76.924  1403.41   79.476   39.610   1.0004   37.999   1.0775 1.611473 1.470305 
1 1 1  -21   18    4 o   85.834   0.8121  7160.97  135.301  7043.54  189.893  7282.06  192.830   85.120   1.1492   86.549   1.1478 -1.429382 1.624223 
1 1 1  -21   18    5 f   34.149   0.7582  1133.94   50.237  1108.90   71.553  1158.28   70.550   33.776   1.0913   34.522   1.0528 -0.7456741 1.516348 
1 1 1  -21   18    6 o   8.0694   2.0732   51.026   42.553   33.117   60.530   68.525   59.834   7.4409   2.9025   8.6980   2.9610 -1.257027 4.146312 
1 1 1  -21   18    7 o   44.416   0.6548  1916.78   56.453  1902.37   79.520  1931.42   80.158   44.248   0.9258   44.585   0.9262 -0.3364983 1.309551 
1 1 1  -21   18    8 o   69.551   0.7135  4700.95   96.322  4655.07  135.493  4747.83  136.958   69.208   1.0085   69.894   1.0094 -0.6860199 1.426931 
1 1 1  -21   18    9 o   73.275   0.7366  5219.09  104.769  5193.66  148.281  5244.44  148.050   73.096   1.0450   73.453   1.0383 -0.3571091 1.473152 
1 1 1  -21   18   10 o   57.167   0.6632  3176.96   73.547  3038.71  103.773  3316.48  104.252   55.915   0.9561   58.418   0.9193 -2.502811 1.326352 
1 1 1  -21   18   11 o   25.425   0.8742  628.482   43.022  696.319   61.916  565.155   59.823   26.753   1.1922   24.098   1.2789 2.655323 1.748417 
1 1 1  -21   18   12 o   51.745   0.6476  2603.28   65.041  2576.36   92.478  2629.62   91.493   51.480   0.9254   52.011   0.9062 -0.5311089 1.295228 
1 1 1  -21   18   13 f   70.417   0.9135  4851.28  115.139  4772.83  207.016  4886.42  138.546   69.955   1.5245   70.879   1.0070 -0.9243546 1.827019 
1 1 1  -21   18   14 o   35.231   1.0401  1190.16   65.379  1262.76  120.393  1159.79   77.860   35.947   1.7253   34.514   1.1621 1.432812 2.080201 
1 1 1  -21   18   15 o   19.417   1.8313  400.449   57.464  329.513  109.332  427.525   67.547   17.922   3.2629   20.913   1.6639 -2.990625 3.662626 
1 1 1  -21   18   16 o   51.100   0.9161  2531.77   86.928  2599.27  146.909  2495.41  107.831   51.585   1.4671   50.615   1.0975 0.9699898 1.832189 
1 1 1  -21   18   17 o   23.820   1.3346  545.857   55.820  583.969  105.765  531.142   65.718   24.328   2.2396   23.312   1.4522 1.015945 2.669236 
1 1 1  -21   18   18 o   15.690   1.8220  245.864   50.054  256.966   90.044  240.899   60.215   15.744   3.0566   15.635   1.9839 0.1082230 3.643990 
1 1 1  -21   18   19 f   12.845   2.0948  203.162   51.268   72.835   97.714  252.667   60.223   9.7001   3.7133   15.990   1.9402 -6.289703 4.189607 
1 1 1  -21   18   20 o   28.290   1.0854  787.761   53.908  786.183  100.425  788.401   63.894   28.189   1.8353   28.391   1.1593 -0.2021484 2.170758 
1 1 1  -21   18   21 o   19.755   1.5135  440.689   45.191  305.407   93.481  481.946   51.624   17.326   2.7795   22.184   1.1988 -4.858360 3.026999 
1 1 1  -21   18   22 o   10.628   2.2195  125.225   46.311   82.260   96.815  137.973   52.736   9.7761   3.7071   11.480   2.4416 -1.703570 4.438968 
1 1 1  -21   18   23 o   19.755   1.4687  375.249   48.501  427.686  100.309  359.249   55.409   20.449   2.5269   19.060   1.4976 1.389410 2.937382 
1 1 1  -21   18   24 o   25.913   1.1101  634.804   51.599  752.732   96.161  587.119   61.148   27.424   1.8063   24.401   1.2909 3.022856 2.220226 
1 1 1  -21   18   25 o   28.371   1.1734  774.998   57.864  876.014  112.598  738.746   67.452   29.402   1.9728   27.340   1.2710 2.062126 2.346797 
1 1 1  -21   19    1 o   53.280   0.6980  2751.98   72.094  2633.22   98.818  2887.12  105.413   52.054   0.9779   54.505   0.9963 -2.450554 1.396070 
1 1 1  -21   19    2 o   23.505   1.0791  537.512   48.814  535.534   64.880  540.094   74.103   23.459   1.4247   23.550   1.6210 -0.9070969E-01 2.158114 
1 1 1  -21   19    3 o   57.017   0.6934  3159.81   76.640  3172.33  105.791  3145.97  111.180   57.138   0.9538   56.896   1.0067 0.2416191 1.386759 
1 1 1  -21   19    4 o   13.497   1.8007  187.178   45.350  233.668   62.407  135.158   66.014   15.474   2.0776   11.519   2.9418 3.954520 3.601473 
1 1 1  -21   19    5 o   90.120   0.8440  7896.03  147.628  7821.81  207.083  7972.74  210.515   89.690   1.1894   90.550   1.1976 -0.8600540 1.687915 
1 1 1  -21   19    6 o   49.755   0.6668  2402.87   64.342  2465.93   93.339  2345.78   88.817   50.375   0.9545   49.134   0.9312 1.241196 1.333506 
1 1 1  -21   19    7 o   10.262   2.0689  106.253   43.428   92.847   63.483  118.045   59.540   9.7492   3.0323   10.776   2.8154 -1.026326 4.137785 
1 1 1  -21   19    8 o   57.609   0.6674  3226.45   74.594  3172.29  106.619  3278.38  104.400   57.134   0.9613   58.084   0.9259 -0.9501915 1.334736 
1 1 1  -21   19    9 o   34.420   0.7365  1151.53   49.189  1108.12   69.089  1196.16   70.049   33.762   1.0542   35.079   1.0287 -1.316906 1.472952 
1 1 1  -21   19   10 o   7.3777   1.9422   33.961   39.998  -8.3480   59.134   69.642   54.306   6.1636   2.6725   8.5919   2.8190 -2.428261 3.884410 
1 1 1  -21   19   11 o   22.519   0.9333  493.809   40.793  487.366   57.882  500.167   57.499   22.373   1.3328   22.666   1.3068 -0.2933044 1.866590 
1 1 1  -21   19   12 o   14.221   1.4030  199.359   38.421  175.415   55.360  221.607   53.364   13.383   2.1311   15.060   1.8254 -1.677324 2.805990 
1 1 1  -21   19   13 o   38.760   0.8595  1459.64   59.232  1470.91  108.426  1454.84   70.716   38.842   1.4380   38.679   0.9419 0.1632538 1.719013 
1 1 1  -21   19   14 o   82.251   1.1080  6606.43  176.333  6589.50  259.825  6620.88  240.088   82.134   1.6296   82.369   1.5016 -0.2349548 2.215952 
1 1 1  -21   19   15 o   69.480   0.9976  4696.50  132.886  4803.42  205.683  4619.89  174.100   70.129   1.5109   68.831   1.3030 1.297661 1.995157 
1 1 1  -21   19   16 o   72.703   1.0305  5179.38  144.480  5020.11  215.162  5310.17  194.978   71.652   1.5469   73.755   1.3619 -2.102180 2.060980 
1 1 1  -21   19   17 o   53.171   0.9266  2762.28   92.177  2752.80  152.012  2767.80  115.921   53.056   1.4760   53.285   1.1207 -0.2289467 1.853224 
1 1 1  -21   19   18 f   19.923   1.3611  361.620   49.908  488.733   89.780  304.773   60.040   22.239   2.0796   17.607   1.7567 4.632450 2.722281 
1 1 1  -21   19   19 o   12.749   2.2606  158.316   51.232  207.890   98.541  139.953   59.975   13.924   3.6142   11.573   2.7163 2.351468 4.521123 
1 1 1  -21   19   20 o   21.453   1.4797  483.378   53.844  404.425  100.553  515.117   63.755   20.011   2.5886   22.895   1.4345 -2.884426 2.959481 
1 1 1  -21   19   21 o   22.414   1.2356  486.972   43.251  514.409   96.868  480.140   48.337   22.675   2.2008   22.153   1.1241 0.5220947 2.471202 
1 1 1  -21   19   22 o   9.9114   1.9427  117.288   44.633 -29.0289   97.059  156.527   50.262   7.3242   3.2869   12.499   2.0717 -5.174417 3.885319 
1 1 1  -21   19   23 o   25.753   1.1910  670.110   51.374  637.839  101.500  681.224   59.567   25.168   2.0776   26.338   1.1651 -1.170055 2.381953 
1 1 1  -21   19   24 o   9.3742   2.2143   63.329   47.500  165.202   86.525   19.384   56.829   12.138   3.4875   6.6104   2.7293 5.527717 4.428539 
1 1 1  -21   19   25 o   14.159   2.2129  243.265   53.237  171.281  108.011  266.365   61.186   12.109   3.9757   16.209   1.9446 -4.099309 4.425836 
1 1 1  -21   20    1 o   18.480   1.3298  333.958   47.530  346.064   65.266  320.288   69.355   18.842   1.7844   18.118   1.9720 0.7239170 2.659511 
1 1 1  -21   20    2 o   46.370   0.6956  2095.73   62.290  2156.54   84.630  2023.84   92.016   47.110   0.9254   45.631   1.0388 1.479244 1.391249 
1 1 1  -21   20    3 o   34.265   0.7927  1140.51   52.189  1134.94   68.981  1147.98   79.811   34.171   1.0399   34.359   1.1966 -0.1877823 1.585357 
1 1 1  -21   20    4 o   29.420   0.8619  843.088   49.052  859.909   67.037  823.703   71.964   29.739   1.1612   29.101   1.2739 0.6380386 1.723766 
1 1 1  -21   20    5 o   82.938   0.7973  6686.42  128.355  6600.62  179.978  6775.24  183.106   82.397   1.1252   83.479   1.1299 -1.082253 1.594661 
1 1 1  -21   20    6 o   55.982   0.6725  3043.73   73.061  2965.97  101.841  3126.19  104.873   55.246   0.9496   56.719   0.9525 -1.472404 1.345028 
1 1 1  -21   20    7 o   14.422   1.5292  203.295   42.753  216.607   60.697  190.189   60.228   14.893   2.0995   13.950   2.2241 0.9429493 3.058475 
1 1 1  -21   20    8 o   46.035   0.6656  2057.64   59.454  2127.28   85.663  1992.91   82.582   46.786   0.9432   45.284   0.9395 1.501526 1.331260 
1 1 1  -21   20    9 o   34.786   0.7074  1175.69   47.752  1212.50   68.425  1140.74   66.672   35.317   0.9981   34.256   1.0026 1.061184 1.414734 
1 1 1  -21   20   10 o   66.157   0.6912  4253.37   88.735  4192.16  123.589  4318.50  127.481   65.667   0.9696   66.647   0.9854 -0.9803085 1.382382 
1 1 1  -21   20   11 o   16.309   1.2222  259.230   38.643  278.721   55.787  241.251   53.578   16.899   1.7007   15.719   1.7559 1.179780 2.444476 
1 1 1  -21   20   12 o   14.817   1.3416  213.682   38.322  180.864   52.398  251.423   56.191   13.594   1.9856   16.040   1.8047 -2.445360 2.683171 
1 1 1  -21   20   13 o   47.339   0.8298  2166.60   67.961  2215.80  130.662  2148.35   79.571   47.671   1.4120   47.006   0.8720 0.6649437 1.659556 
1 1 1  -21   20   14 f   21.754   1.4120  490.641   51.649  409.119   98.016  521.980   60.771   20.371   2.4787   23.136   1.3531 -2.765131 2.823947 
1 1 1  -21   20   15 o   54.039   0.8757  2854.92   90.423  2800.64  140.146  2893.63  118.353   53.575   1.3476   54.502   1.1187 -0.9268608 1.751391 
1 1 1  -21   20   16 o   17.752   1.7852  321.022   50.529  307.512  102.397  325.371   58.095   17.274   3.1706   18.230   1.6417 -0.9564457 3.570401 
1 1 1  -21   20   17 o   51.332   0.8987  2555.55   85.779  2631.68  144.639  2514.25  106.535   51.876   1.4363   50.788   1.0806 1.087788 1.797444 
1 1 1  -21   20   18 o   17.463   1.5803  301.157   47.780  306.078   91.337  299.302   56.063   17.474   2.6927   17.453   1.6548 0.2131081E-01 3.160527 
1 1 1  -21   20   19 o   10.348   2.3220  104.581   48.000  117.471   93.798  100.008   55.869   10.881   3.7073   9.8141   2.7968 1.067103 4.643982 
1 1 1  -21   20   20 o   11.805   2.1176  155.118   42.247  111.495   99.156  164.794   46.697   10.719   3.8020   12.891   1.8661 -2.172025 4.235227 
1 1 1  -21   20   21 o   26.088   1.0658  644.480   46.204  721.999   96.340  621.324   52.654   26.972   1.8400   25.204   1.0762 1.767761 2.131653 
1 1 1  -21   20   22 o   27.522   1.0630  692.784   47.831  854.729  104.225  649.578   53.835   29.291   1.8330   25.753   1.0769 3.538052 2.125970 
1 1 1  -21   20   23 o   29.300   1.0621  849.884   51.470  850.334  105.036  849.742   59.045   29.153   1.8561   29.448   1.0329 -0.2957649 2.124135 
1 1 1  -21   20   24 o   13.157   2.0354  209.400   48.303  123.733   88.418  245.844   57.670   10.686   3.5996   15.627   1.9011 -4.941336 4.070794 
1 1 1  -21   20   25 o   29.613   1.1055  850.989   56.452  932.833  110.495  822.081   65.669   30.362   1.8748   28.864   1.1720 1.497972 2.210984 
1 1 1  -21   21    1 o   27.246   0.9245  718.585   48.548  692.820   64.417  752.461   73.863   26.687   1.2435   27.806   1.3685 -1.118372 1.849016 
1 1 1  -21   21    2 o   58.611   0.7028  3336.97   79.877  3298.01  110.207  3380.08  115.938   58.253   0.9746   58.970   1.0128 -0.7171707 1.405576 
1 1 1  -21   21    3 o   8.8197   2.2048   66.930   46.979   70.458   62.830   62.457   70.750   8.8471   3.0341   8.7924   3.1998 0.5462646E-01 4.409560 
1 1 1  -21   21    4 o   22.932   1.0770  514.251   47.591  532.537   64.227  491.987   70.870   23.391   1.4145   22.473   1.6245 0.9181213 2.154035 
1 1 1  -21   21    5 o   31.786   0.8341  984.637   51.351  1047.73   72.036  919.450   73.220   32.826   1.1305   30.746   1.2268 2.080053 1.668245 
1 1 1  -21   21    6 o   38.111   0.7037  1413.46   51.984  1453.55   72.297  1370.54   74.799   38.673   0.9630   37.549   1.0262 1.123833 1.407310 
1 1 1  -21   21    7 o   50.044   0.6629  2434.59   64.380  2372.10   91.221  2496.60   90.875   49.403   0.9512   50.685   0.9236 -1.281837 1.325855 
1 1 1  -21   21    8 o   35.216   0.7227  1203.87   49.331  1237.43   72.078  1174.31   67.660   35.675   1.0408   34.756   1.0029 0.9197083 1.445332 
1 1 1  -21   21    9 o   55.808   0.6618  3028.23   71.678  2974.17  101.774  3081.44  100.966   55.313   0.9479   56.304   0.9238 -0.9908485 1.323563 
1 1 1  -21   21   10 o   35.304   0.7133  1210.76   48.857  1256.91   70.446  1167.99   67.816   35.951   1.0094   34.656   1.0081 1.294910 1.426588 
1 1 1  -21   21   11 o   31.759   0.7226  982.651   44.424  957.712   64.805  1004.76   61.017   31.376   1.0640   32.143   0.9779 -0.7672424 1.445150 
1 1 1  -21   21   12 o   43.857   0.9069  1888.09   66.476  1845.02  133.230  1902.36   76.707   43.480   1.5785   44.233   0.8933 -0.7527847 1.813758 
1 1 1  -21   21   13 o   50.893   0.8632  2521.83   73.860  2525.47  147.661  2520.61   85.297   50.872   1.4953   50.915   0.8630 -0.4277039E-01 1.726464 
1 1 1  -21   21   14 o   28.055   1.1365  734.554   53.785  840.552  110.317  701.501   61.603   29.278   1.9411   26.833   1.1827 2.444801 2.272995 
1 1 1  -21   21   15 o   50.414   0.8722  2499.70   82.965  2383.59  132.405  2574.76  106.454   49.412   1.3804   51.416   1.0666 -2.003559 1.744470 
1 1 1  -21   21   16 o   8.9341   2.3405   59.729   47.992   80.429   96.976   53.015   55.229   9.9846   3.7263   7.8836   2.8331 2.100943 4.681009 
1 1 1  -21   21   17 o   22.285   1.3669  463.360   50.149  539.016  106.893  442.008   56.786   23.310   2.3623   21.261   1.3759 2.049461 2.733802 
1 1 1  -21   21   18 o   26.406   1.1387  683.666   51.527  688.635  100.043  681.872   60.114   26.394   1.9526   26.418   1.1722 -0.2379036E-01 2.277484 
1 1 1  -21   21   19 o   14.888   1.8555  221.469   46.674  240.460   90.103  214.504   54.565   15.061   3.1816   14.714   1.9104 0.3469200 3.711087 
1 1 1  -21   21   20 o   27.808   1.0727  751.579   45.163  777.091  104.915  745.776   50.036   27.972   1.9322   27.645   0.9324 0.3272438 2.145391 
1 1 1  -21   21   21 o   27.143   1.0098  662.570   44.519  844.211   98.623  616.085   49.892   29.183   1.7409   25.102   1.0239 4.081347 2.019688 
1 1 1  -21   21   22 o   33.089   0.9673  1047.43   51.785  1137.18  111.360  1022.66   58.494   33.833   1.6956   32.345   0.9316 1.487492 1.934695 
1 1 1  -21   21   23 o   21.230   1.3672  426.662   46.808  501.222  102.621  407.075   52.599   22.147   2.3870   20.313   1.3340 1.834660 2.734438 
1 1 1  -21   21   24 o   8.2809   2.2116   27.716   46.094  130.132   90.792  -7.8467   53.501   10.877   3.6477   5.6846   2.5016 5.192699 4.423127 
1 1 1  -21   21   25 o   6.9112   2.0218   8.4839   50.566 -137.9858   97.259   62.743   59.196   5.7455   2.7880   8.0769   2.9288 -2.331338 4.043638 
1 1 1  -21   22    1 o   40.147   0.7083  1563.94   54.949  1537.31   73.967  1596.72   82.084   39.769   0.9581   40.525   1.0434 -0.7556190 1.416614 
1 1 1  -21   22    2 o   26.744   0.9609  689.401   49.620  605.508   66.728  793.175   74.215   24.941   1.3783   28.548   1.3392 -3.606836 1.921754 
1 1 1  -21   22    3 o   52.144   0.6814  2644.60   68.788  2669.56   94.127  2615.99  100.775   52.411   0.9252   51.877   1.0007 0.5341682 1.362863 
1 1 1  -21   22    4 o   35.242   0.7729  1212.38   52.564  1258.80   71.418  1157.52   77.644   35.985   1.0224   34.499   1.1594 1.485737 1.545810 
1 1 1  -21   22    5 o   45.157   0.6850  1982.02   60.023  2061.91   85.323  1903.75   84.453   46.059   0.9543   44.256   0.9831 1.803570 1.370074 
1 1 1  -21   22    6 o   19.021   1.2350  354.534   45.381  381.492   62.912  325.291   65.525   19.784   1.6381   18.258   1.8488 1.525749 2.470099 
1 1 1  -21   22    7 o   8.6785   2.0791   67.392   42.817   41.552   62.068   90.854   59.142   7.7717   2.9632   9.5853   2.9174 -1.813655 4.158295 
1 1 1  -21   22    8 o   24.666   0.9081  591.528   43.318  600.241   64.325  584.298   58.597   24.830   1.3346   24.503   1.2319 0.3263302 1.816250 
1 1 1  -21   22    9 o   41.142   0.6641  1641.76   52.943  1707.33   77.758  1585.10   72.287   41.905   0.9559   40.380   0.9222 1.525372 1.328243 
1 1 1  -21   22   10 o   47.336   0.6436  2176.02   59.070  2226.73   86.036  2130.80   81.244   47.856   0.9261   46.817   0.8940 1.039333 1.287221 
1 1 1  -21   22   11 o   43.590   0.6419  1845.13   54.257  1895.63   78.982  1800.00   74.663   44.153   0.9215   43.027   0.8939 1.125885 1.283847 
1 1 1  -21   22   12 o   17.148   1.8757  297.940   46.487  289.997  107.967  299.748   51.506   16.769   3.4325   17.527   1.5139 -0.7579784 3.751477 
1 1 1  -21   22   13 o   23.165   1.3106  464.998   46.718  629.759  112.964  431.004   51.312   25.299   2.3002   21.030   1.2569 4.269611 2.621229 
1 1 1  -21   22   14 o   33.968   1.0682  1144.65   61.130  1092.28  120.249  1162.89   70.987   33.379   1.8558   34.558   1.0582 -1.178257 2.136338 
1 1 1  -21   22   15 o   22.879   1.3257  516.882   50.806  507.510  101.468  520.018   58.694   22.675   2.3053   23.084   1.3099 -0.4087601 2.651421 
1 1 1  -21   22   16 f   6.8224   1.9745   11.181   44.752 -96.6556   86.958   50.031   52.194   5.9838   2.8303   7.6610   2.7540 -1.677221 3.949068 
1 1 1  -21   22   17 o   26.635   1.2335  740.200   52.628  620.971  107.258  778.008   60.399   25.032   2.2074   28.238   1.1019 -3.206467 2.467083 
1 1 1  -21   22   18 o   23.793   1.2231  533.895   48.973  606.973  100.540  511.161   56.076   24.731   2.0943   22.855   1.2639 1.875397 2.446113 
1 1 1  -21   22   19 o   26.034   1.0401  670.794   42.442  658.923   93.025  673.914   47.695   25.787   1.8584   26.281   0.9349 -0.4935112 2.080269 
1 1 1  -21   22   20 o   13.265   2.0568  183.768   40.256  179.360   99.992  184.621   43.977   12.857   3.7651   13.674   1.6568 -0.8170366 4.113571 
1 1 1  -21   22   21 o   7.7692   2.1490   38.341   38.641   61.174   89.016   33.039   42.893   8.9988   3.5171   6.5395   2.4705 2.459345 4.298087 
1 1 1  -21   22   22 o   29.805   1.0703  902.367   49.193  839.709  108.436  918.604   55.201   28.958   1.9290   30.652   0.9277 -1.694029 2.140525 
1 1 1  -21   22   23 o   5.2948   1.7917 -60.1487   44.445 -143.3482   97.900 -38.5493   49.882   5.7827   2.8041   4.8068   2.2311 0.9759264 3.583357 
1 1 1  -21   22   24 f   21.690   1.2081  459.482   47.084  504.563   86.024  440.199   56.260   22.308   1.9865   21.072   1.3754 1.235933 2.416154 
1 1 1  -21   23    1 o   6.7730   2.0181   1.4967   46.438   27.427   62.446 -30.5864   69.461   7.3273   2.9201   6.2186   2.7864 1.108729 4.036249 
1 1 1  -21   23    2 o   25.139   0.9819  617.910   47.659  645.124   65.027  586.327   70.052   25.745   1.3012   24.534   1.4709 1.210924 1.963872 
1 1 1  -21   23    3 o   54.803   0.6928  2920.48   73.539  2932.06  100.840  2907.33  107.476   54.922   0.9458   54.684   1.0125 0.2380104 1.385542 
1 1 1  -21   23    4 o   55.500   0.6813  2994.61   73.386  3021.68  103.269  2967.00  104.305   55.755   0.9542   55.246   0.9726 0.5083809 1.362502 
1 1 1  -21   23    5 o   21.643   1.1372  472.023   46.175  561.910   62.251  362.073   68.848   24.025   1.3348   19.260   1.8415 4.765526 2.274393 
1 1 1  -21   23    6 o   20.558   1.1439  410.500   45.558  379.031   62.392  446.440   66.678   19.716   1.6302   21.399   1.6052 -1.683018 2.287809 
1 1 1  -21   23    7 o   35.714   0.7121  1237.34   49.313  1172.24   67.869  1310.15   71.772   34.721   1.0070   36.707   1.0073 -1.985657 1.424279 
1 1 1  -21   23    8 o   29.069   0.7943  825.602   44.620  875.674   61.575  770.237   64.748   30.005   1.0572   28.133   1.1856 1.872065 1.588513 
1 1 1  -21   23    9 o   35.101   0.6875  1198.16   46.837  1226.98   66.432  1169.67   66.046   35.521   0.9634   34.681   0.9811 0.8407516 1.375015 
1 1 1  -21   23   10 o   40.120   0.6388  1564.84   49.729  1569.37   71.439  1560.57   69.266   40.175   0.9160   40.064   0.8906 0.1108742 1.277641 
1 1 1  -21   23   11 o   31.063   0.7106  938.214   42.787  869.562   59.755  1010.45   61.294   29.895   1.0297   32.230   0.9797 -2.334661 1.421284 
1 1 1  -21   23   12 f   21.856   1.3337  420.331   45.980  552.607  106.874  390.286   50.935   23.702   2.3229   20.010   1.3113 3.691944 2.667454 
1 1 1  -21   23   13 o   15.370   1.9908  227.663   45.210  257.237  107.283  221.277   49.853   15.703   3.5968   15.038   1.7078 0.6649227 3.981669 
1 1 1  -21   23   14 o   38.435   0.9669  1362.70   63.026  1607.40  129.057  1286.06   72.224   40.528   1.6405   36.342   1.0238 4.185295 1.933705 
1 1 1  -21   23   15 o   12.850   2.1751  182.360   46.838  130.704  104.090  195.474   52.448   11.596   3.9056   14.105   1.9156 -2.509056 4.350111 
1 1 1  -21   23   16 o   22.599   1.2025  482.542   47.505  544.653   91.770  459.806   55.524   23.506   2.0112   21.693   1.3186 1.812860 2.404930 
1 1 1  -21   23   17 o   15.472   2.0275  291.934   46.496  171.437   99.893  325.260   52.534   12.733   3.7729   18.212   1.4860 -5.479208 4.054958 
1 1 1  -21   23   18 o   24.774   1.2023  594.746   49.162  625.085  101.964  585.557   56.115   25.079   2.0945   24.469   1.1814 0.6097507 2.404684 
1 1 1  -21   23   19 f   21.840   1.0823  439.714   38.966  528.079   83.469  415.090   44.062   23.077   1.8633   20.602   1.1018 2.474873 2.164631 
1 1 1  -21   23   20 o   11.674   1.9833  180.556   40.995   36.599  100.926  209.000   44.863   8.7958   3.6349   14.553   1.5881 -5.757104 3.966659 
1 1 1  -21   23   21 o   12.916   1.9746  202.264   39.061  124.999   91.211  219.617   43.225   10.919   3.6562   14.913   1.4931 -3.994676 3.949286 
1 1 1  -21   23   22 o   26.118   1.1776  697.670   43.863  648.866  106.588  707.619   48.127   25.335   2.1673   26.900   0.9217 -1.565413 2.355162 
1 1 1  -21   23   23 o   17.478   1.6544  287.277   43.762  356.338  105.287  272.855   48.115   18.374   2.9519   16.582   1.4948 1.792456 3.308768 
1 1 1  -21   23   24 o   9.7096   1.7896  115.751   45.896 -92.0306   95.567  178.040   52.325   6.1977   2.9418   13.222   2.0387 -7.023835 3.579235 
1 1 1  -21   24    1 o   35.192   0.7847  1204.17   53.505  1193.31   73.340  1216.52   78.233   35.025   1.0787   35.359   1.1398 -0.3344193 1.569305 
1 1 1  -21   24    2 o   33.548   0.8994  1109.26   56.308  1148.14   71.204  1044.35   91.996   34.357   1.0676   32.738   1.4476 1.618851 1.798707 
1 1 1  -21   24    3 o   37.142   0.7431  1347.53   53.258  1407.12   72.501  1277.68   78.493   38.042   0.9818   36.241   1.1158 1.801304 1.486199 
1 1 1  -21   24    4 o   59.205   0.6898  3402.42   79.145  3315.40  108.379  3501.85  115.849   58.397   0.9561   60.012   0.9945 -1.615551 1.379503 
1 1 1  -21   24    5 o   32.523   0.7703  1030.58   48.531  1060.32   67.096  997.946   70.282   33.019   1.0468   32.028   1.1305 0.9913216 1.540700 
1 1 1  -21   24    6 o   26.562   0.8987  695.404   45.764  780.214   62.816  599.474   66.808   28.317   1.1428   24.807   1.3874 3.510235 1.797407 
1 1 1  -21   24    7 o   30.982   0.8000  940.784   47.762  1026.13   65.868  846.156   69.358   32.480   1.0447   29.483   1.2119 2.996578 1.600009 
1 1 1  -21   24    8 f   34.359   0.7299  1146.01   48.527  1120.58   65.745  1176.43   71.927   33.944   0.9978   34.774   1.0655 -0.8306084 1.459781 
1 1 1  -21   24    9 o   27.484   0.7908  734.696   42.172  766.229   60.358  704.619   58.947   28.060   1.1081   26.907   1.1286 1.153072 1.581630 
1 1 1  -21   24   10 o   36.901   0.6643  1324.80   47.563  1364.03   67.083  1285.13   67.447   37.452   0.9227   36.350   0.9559 1.101868 1.328568 
1 1 1  -21   24   11 o   31.512   0.6852  966.024   41.870  908.269   58.775  1025.53   59.660   30.554   0.9910   32.470   0.9465 -1.915909 1.370384 
1 1 1  -21   24   12 o   26.902   1.3955  709.334   72.716  647.940  101.377  774.395  104.360   25.695   2.0325   28.108   1.9127 -2.413403 2.790930 
1 1 1  -21   24   13 o   75.741   0.9405  5577.07  127.798  5650.40  230.451  5544.50  153.576   76.024   1.5616   75.458   1.0485 0.5661774 1.880905 
1 1 1  -21   24   14 o   31.016   1.0653  931.334   54.642  958.334  112.601  923.017   62.494   31.249   1.8563   30.784   1.0458 0.4654102 2.130581 
1 1 1  -21   24   15 o   29.033   1.1024  760.741   51.622  944.643  114.986  714.320   57.771   30.995   1.9111   27.070   1.0994 3.925020 2.204769 
1 1 1  -21   24   16 o   23.201   1.2474  580.585   46.835  433.414   90.791  633.950   54.671   20.910   2.2367   25.491   1.1049 -4.580498 2.494735 
1 1 1  -21   24   17 o   25.789   1.1539  613.214   50.267  739.163  103.925  574.749   57.432   27.334   1.9586   24.244   1.2204 3.090160 2.307703 
1 1 1  -21   24   18 o   6.3406   1.9579   7.4048   36.544 -65.2319   97.429   19.297   39.423   6.8301   3.1517   5.8512   2.3239 0.9788389 3.915827 
1 1 1  -21   24   19 o   11.563   1.8593  153.714   35.815  102.188   76.952  167.962   40.465   10.074   3.3581   13.051   1.5972 -2.977009 3.718572 
1 1 1  -21   24   20 o   8.6234   2.0909   76.977   39.654 -14.2339  102.835   92.908   42.978   7.8254   3.4549   9.4215   2.3561 -1.596066 4.181787 
1 1 1  -21   24   21 o   12.252   2.0564  133.033   39.373  215.977   94.044  115.404   43.356   13.985   3.4786   10.519   2.1942 3.465496 4.112781 
1 1 1  -21   24   22 o   7.5591   1.8718   54.426   38.962 -124.7522   98.643   87.546   42.411   6.0204   2.8931   9.0978   2.3757 -3.077377 3.743552 
1 1 1  -21   24   23 o   16.259   2.0410  325.676   42.948  222.323  108.083  345.055   46.801   13.826   3.8728   18.692   1.2899 -4.866106 4.081913 
1 1 1  -21   24   24 o   16.390   1.7363  229.038   46.278  386.019  106.716  192.681   51.358   18.997   2.8939   13.784   1.9195 5.213229 3.472608 
1 1 1  -21   25    1 o   43.822   0.6976  1866.56   59.086  1856.34   79.841  1878.93   87.854   43.693   0.9413   43.950   1.0298 -0.2571297 1.395181 
1 1 1  -21   25    2 o   13.544   1.7590  192.412   43.869  252.312   60.128  124.234   64.148   16.063   1.9284   11.025   2.9425 5.037266 3.518080 
1 1 1  -21   25    3 o   30.010   0.8155  875.889   47.424  867.183   64.986  885.806   69.362   29.853   1.1214   30.168   1.1845 -0.3144588 1.631097 
1 1 1  -21   25    4 o   9.4364   2.1192   86.137   43.692   76.590   60.526   96.526   63.138   9.0078   2.9771   9.8650   3.0168 -0.8572159 4.238380 
1 1 1  -21   25    5 o   55.937   0.6784  3043.67   73.634  3135.00  103.905  2951.53  104.364   56.782   0.9427   55.092   0.9759 1.690044 1.356822 
1 1 1  -21   25    6 o   30.723   0.8119  917.553   48.339  901.184   66.238  936.203   70.705   30.432   1.1213   31.014   1.1744 -0.5817585 1.623753 
1 1 1  -21   25    7 o   19.967   1.1854  402.832   44.013  519.766   61.176  277.363   63.369   23.096   1.3645   16.838   1.9387 6.257847 2.370776 
1 1 1  -21   25    8 o   7.2162   1.9776   28.391   40.688   2.8816   56.725   55.424   58.394   6.3158   2.6749   8.1167   2.9135 -1.800891 3.955201 
1 1 1  -21   25    9 o   19.081   1.1199  356.356   41.355  372.777   57.226  338.406   59.832   19.547   1.5082   18.614   1.6559 0.9328251 2.239728 
1 1 1  -21   25   10 o   31.441   0.7216  961.796   44.035  989.361   62.630  934.849   61.925   31.887   1.0118   30.995   1.0292 0.8922577 1.443283 
1 1 1  -21   25   11 o   24.064   0.8236  560.482   38.323  633.579   56.585  498.543   52.088   25.505   1.1429   22.622   1.1862 2.883692 1.647162 
1 1 1  -21   25   12 o   35.403   0.9129  1230.85   53.372  1206.18  108.925  1238.64   61.225   35.123   1.5976   35.683   0.8839 -0.5606232 1.825844 
1 1 1  -21   25   13 o   43.694   0.8559  1848.38   62.442  1887.43  126.710  1835.86   71.760   43.946   1.4853   43.442   0.8510 0.5039177 1.711836 
1 1 1  -21   25   14 f   13.817   2.0312  189.191   43.240  201.776   99.312  186.247   48.031   13.856   3.6437   13.777   1.7960 0.7962608E-01 4.062315 
1 1 1  -21   25   15 o   17.845   1.9644  409.220   44.974  210.926  104.248  454.565   49.852   14.108   3.7443   21.582   1.1899 -7.473358 3.928860 
1 1 1  -21   25   16 o   19.494   1.4028  327.044   45.620  476.639   99.443  287.169   51.341   21.882   2.3411   17.106   1.5462 4.776253 2.805627 
1 1 1  -21   25   17 o   43.427   0.8094  1742.70   53.916  2011.33  126.611  1683.19   59.589   45.270   1.4408   41.583   0.7382 3.687534 1.618874 
1 1 1  -21   25   18 o   22.043   1.2474  427.457   38.260  561.912  104.299  406.552   41.126   23.687   2.2683   20.398   1.0386 3.288759 2.494796 
1 1 1  -21   25   19 o   14.965   1.4469  183.717   35.963  307.955   80.361  152.604   40.215   17.501   2.3655   12.429   1.6669 5.072045 2.893818 
1 1 1  -21   25   20 o   17.918   1.5389  271.540   38.255  403.409  107.021  252.222   40.962   19.820   2.7816   16.016   1.3175 3.803728 3.077851 
1 1 1  -21   25   21 o   10.343   1.9887  128.673   39.721   36.904   94.893  148.168   43.737   8.5076   3.5209   12.179   1.8500 -3.671131 3.977358 
1 1 1  -21   25   22 o   13.574   1.9738  180.507   39.571  220.747   97.096  172.492   43.333   13.998   3.5640   13.151   1.6975 0.8466177 3.947571 
1 1 1  -21   25   23 o   8.7604   2.2471   67.907   39.685   83.572   99.465   64.941   43.278   9.6080   3.7282   7.9128   2.5098 1.695282 4.494268 
1 1 1  -21   26    1 o   23.455   1.0653  536.380   48.469  530.493   67.139  542.787   70.046   23.323   1.4830   23.588   1.5298 -0.2650719 2.130582 
1 1 1  -21   26    2 o   12.617   1.8726  167.293   44.808  207.658   59.732  115.347   67.761   14.557   2.1138   10.677   3.0917 3.880898 3.745229 
1 1 1  -21   26    3 o   39.746   0.7075  1540.79   54.434  1621.49   75.592  1453.86   78.451   40.834   0.9537   38.658   1.0454 2.175838 1.415056 
1 1 1  -21   26    4 o   77.556   0.7722  5852.20  116.240  5817.01  162.822  5888.78  166.000   77.320   1.0848   77.793   1.0993 -0.4729538 1.544424 
1 1 1  -21   26    5 o   18.991   1.2335  357.902   44.667  422.459   62.051  288.474   64.350   20.810   1.5360   17.172   1.9305 3.638819 2.467042 
1 1 1  -21   26    6 o   35.120   0.7369  1200.80   50.202  1238.49   70.508  1162.06   71.495   35.681   1.0180   34.559   1.0657 1.122261 1.473787 
1 1 1  -21   26    7 o   29.171   0.8101  833.506   45.551  886.062   62.161  772.555   66.942   30.176   1.0612   28.166   1.2244 2.010752 1.620233 
1 1 1  -21   26    8 o   34.891   0.7240  1181.15   48.963  1117.98   67.151  1252.86   71.547   33.898   1.0205   35.884   1.0271 -1.985928 1.447901 
1 1 1  -21   26    9 o   18.128   1.1860  321.068   41.709  305.197   58.429  337.559   59.558   17.670   1.7035   18.587   1.6507 -0.9172268 2.372057 
1 1 1  -21   26   10 o   43.413   0.6431  1833.66   54.187  1798.52   76.891  1868.34   76.375   42.999   0.9212   43.828   0.8977 -0.8291550 1.286275 
1 1 1  -21   26   11 o   8.9594   1.9445   79.849   37.065   76.827   53.467   82.644   51.428   8.8442   2.7880   9.0745   2.7112 -0.2303514 3.888933 
1 1 1  -21   26   12 o   27.329   1.1325  682.033   47.676  812.792  112.104  653.162   52.677   28.760   2.0080   25.897   1.0478 2.862169 2.264986 
1 1 1  -21   26   13 o   10.320   1.9793  120.044   39.208   45.264   87.906  138.614   43.807   8.7609   3.4731   11.880   1.8996 -3.118867 3.958656 
1 1 1  -21   26   14 o   25.117   1.1591  611.815   46.513  630.004  100.593  606.868   52.457   25.283   2.0496   24.951   1.0830 0.3316536 2.318158 
1 1 1  -21   26   15 o   23.062   1.2710  472.917   45.187  610.419  107.851  443.640   49.766   24.810   2.2394   21.313   1.2029 3.497374 2.542005 
1 1 1  -21   26   16 o   41.113   0.8864  1607.19   63.010  1756.18  123.092  1554.29   73.349   42.298   1.4991   39.928   0.9464 2.370960 1.772846 
1 1 1  -21   26   17 o   6.0617   1.9246  -6.9874   34.349 -20.6346   90.002  -4.6607   37.162   7.2556   3.2163   4.8678   2.1146 2.387856 3.849125 
1 1 1  -21   26   18 o   55.284   0.8359  2961.98   75.101  3048.13  158.639  2937.09   85.261   55.668   1.4681   54.901   0.8000 0.7670326 1.671897 
1 1 1  -21   26   19 o   15.598   1.4082  212.770   34.673  297.331   81.258  193.946   38.338   17.156   2.4400   14.041   1.4066 3.114992 2.816384 
1 1 1  -21   26   20 o   16.950   1.6518  253.526   36.934  346.658  107.644  241.099   39.320   18.243   3.0398   15.657   1.2937 2.585179 3.303600 
1 1 1  -21   26   21 o   15.459   1.9775  313.260   37.384  172.321   99.790  336.270   40.321   12.407   3.7924   18.510   1.1222 -6.102491 3.954943 
1 1 1  -21   26   22 o   21.963   1.1053  412.262   39.719  614.423   89.449  362.612   44.329   24.733   1.8631   19.193   1.1898 5.540091 2.210623 
1 1 1  -21   26   23 o   21.770   1.2801  401.904   42.055  610.661  106.204  363.084   45.798   24.369   2.2451   19.171   1.2307 5.198448 2.560272 
1 1 1  -21   27    1 o   40.099   0.7124  1562.07   55.319  1532.52   75.363  1596.59   81.458   39.691   0.9781   40.507   1.0359 -0.8156662 1.424752 
1 1 1  -21   27    2 o   76.881   0.7650  5752.41  114.164  5842.99  161.708  5662.39  161.199   77.486   1.0751   76.277   1.0887 1.209488 1.530055 
1 1 1  -21   27    3 o   29.621   0.8232  854.944   47.273  870.929   65.600  837.675   68.182   29.912   1.1298   29.330   1.1975 0.5818520 1.646364 
1 1 1  -21   27    4 o   50.601   0.6639  2490.20   65.200  2542.91   92.361  2437.85   92.052   51.135   0.9305   50.066   0.9472 1.069286 1.327736 
1 1 1  -21   27    5 o   84.363   0.8080  6925.83  132.284  6832.81  184.297  7024.69  189.988   83.781   1.1332   84.945   1.1522 -1.164047 1.616074 
1 1 1  -21   27    6 o   30.478   0.8129  904.493   48.072  938.067   68.161  871.263   67.810   31.042   1.1311   29.914   1.1678 1.128662 1.625791 
1 1 1  -21   27    7 o   49.415   0.6531  2374.28   62.539  2364.09   85.897  2385.77   91.231   49.305   0.8975   49.525   0.9490 -0.2198715 1.306138 
1 1 1  -21   27    8 o   29.345   0.7629  838.006   43.451  819.295   60.864  857.454   62.052   29.011   1.0808   29.679   1.0770 -0.6682243 1.525805 
1 1 1  -21   27    9 o   60.152   0.6604  3518.40   77.088  3594.22  110.557  3446.65  107.544   60.782   0.9370   59.522   0.9308 1.259964 1.320728 
1 1 1  -21   27   10 o   31.116   0.7185  942.477   43.400  950.842   61.463  934.159   61.291   31.254   1.0131   30.978   1.0193 0.2759304 1.437091 
1 1 1  -21   27   11 o   8.3841   1.8593   68.553   34.469   87.519   47.670   47.770   49.900   9.2620   2.5640   7.5062   2.6934 1.755743 3.718692 
1 1 1  -21   27   12 o   23.688   1.3281  547.094   47.886  557.025  110.126  544.778   53.176   23.736   2.3901   23.640   1.1588 0.9664154E-01 2.656159 
1 1 1  -21   27   13 o   15.819   1.6999  206.214   40.555  320.132  103.156  185.388   44.107   17.883   2.9715   13.754   1.6520 4.129322 3.399868 
1 1 1  -21   27   14 o   17.511   1.4960  301.134   42.650  306.515   89.442  299.550   48.522   17.527   2.6289   17.496   1.4287 0.3145409E-01 2.992015 
1 1 1  -21   27   15 o   42.172   0.9361  1742.71   67.194  1736.06  131.556  1745.06   78.157   42.033   1.6123   42.311   0.9516 -0.2781067 1.872222 
1 1 1  -21   27   16 o   23.630   1.2251  545.230   35.199  557.881  106.035  543.663   37.314   23.635   2.3111   23.625   0.8137 0.1051903E-01 2.450156 
1 1 1  -21   27   17 o   45.520   0.7613  2014.00   56.012  2046.36  118.885  2004.77   63.502   45.664   1.3412   45.375   0.7209 0.2889671 1.522666 
1 1 1  -21   27   18 o   18.163   1.7249  342.744   35.691  327.782  107.953  344.580   37.817   17.548   3.2900   18.778   1.0375 -1.229733 3.449704 
1 1 1  -21   27   19 o   27.135   0.9199  716.879   37.984  734.286   87.496  712.836   42.165   27.233   1.6551   27.037   0.8034 0.1966972 1.839777 
1 1 1  -21   27   20 o   16.147   1.8130  233.902   36.568  325.035  109.012  222.347   38.817   17.269   3.3730   15.025   1.3309 2.243747 3.626061 
1 1 1  -21   27   21 o   9.0695   2.1048   86.295   36.281   43.568   98.796   92.956   39.007   8.7344   3.6017   9.4047   2.1793 -0.6702766 4.209691 
1 1 1  -21   27   22 o   12.023   1.8765  157.686   36.222  143.371   79.667  161.416   40.669   11.331   3.3720   12.714   1.6478 -1.382633 3.753085 
1 1 1  -21   27   23 o   15.947   1.8702  264.134   38.721  281.121  103.641  261.379   41.743   15.657   3.4981   16.238   1.3243 -0.5805073 3.740431 
1 1 1  -21   28    1 o   30.502   0.8392  894.606   49.321  812.797   65.094  1004.88   75.573   28.889   1.1608   32.116   1.2122 -3.227591 1.678347 
1 1 1  -21   28    2 o   31.960   0.8059  994.894   49.914  999.690   68.691  989.530   72.652   32.045   1.1043   31.875   1.1742 0.1695518 1.611868 
1 1 1  -21   28    3 o   52.984   0.6846  2731.22   70.402  2796.02   99.672  2666.70   99.455   53.612   0.9577   52.355   0.9786 1.257133 1.369267 
1 1 1  -21   28    4 o   37.734   0.7278  1389.12   53.171  1458.09   73.834  1314.81   76.634   38.713   0.9825   36.754   1.0741 1.959858 1.455697 
1 1 1  -21   28    5 o   20.754   1.1199  421.229   45.004  457.215   63.804  385.599   63.488   21.642   1.5187   19.865   1.6464 1.777012 2.239877 
1 1 1  -21   28    6 o   52.656   0.6691  2697.26   68.388  2701.73   96.623  2692.76   96.809   52.700   0.9445   52.612   0.9479 0.8795929E-01 1.338130 
1 1 1  -21   28    7 o   21.256   1.0064  440.572   41.445  404.659   57.811  478.547   59.448   20.362   1.4626   22.149   1.3827 -1.787611 2.012702 
1 1 1  -21   28    8 o   20.033   1.0081  391.463   39.190  381.288   54.617  402.262   56.266   19.765   1.4235   20.301   1.4278 -0.5360107 2.016155 
1 1 1  -21   28    9 o   30.644   0.7174  911.974   42.619  850.758   58.768  979.886   61.898   29.561   1.0241   31.727   1.0050 -2.165976 1.434881 
1 1 1  -21   28   10 o   34.237   0.6542  1140.53   43.423  1137.07   59.873  1144.36   63.069   34.185   0.9023   34.290   0.9475 -0.1049957 1.308377 
1 1 1  -21   28   11 o   16.052   1.7589  215.553   45.143  330.585  105.691  189.884   49.926   18.194   2.9926   13.910   1.8490 4.283240 3.517743 
1 1 1  -21   28   12 o   10.572   2.3190   66.834   42.266  208.164  108.350   41.468   45.902   14.053   3.8555   7.0913   2.5779 6.961959 4.637938 
1 1 1  -21   28   13 o   23.673   1.3168  555.805   44.634  544.385  109.763  558.067   48.856   23.419   2.4145   23.927   1.0519 -0.5084362 2.633668 
1 1 1  -21   28   14 o   12.233   2.2320  146.930   45.555  171.730  101.619  140.693   50.963   12.763   3.8107   11.703   2.3252 1.059495 4.464061 
1 1 1  -21   28   15 o   11.439   2.2876  114.763   42.717  179.841  104.627  101.746   46.795   12.982   3.8646   9.8969   2.4491 3.084730 4.575239 
1 1 1  -21   28   16 o   7.2212   1.9896   41.597   31.169 -47.2873  103.306   50.499   32.692   7.3459   3.3348   7.0965   2.1709 0.2493992 3.979196 
1 1 1  -21   28   17 o   15.369   1.3747  191.540   29.712  303.981   82.981  175.005   31.821   17.373   2.4607   13.365   1.2265 4.007170 2.749398 
1 1 1  -21   28   18 o   15.847   1.6910  201.845   30.265  335.368  105.467  189.863   31.594   17.773   3.1734   13.922   1.1691 3.851007 3.381931 
1 1 1  -21   28   19 o   9.5131   1.9173   86.922   29.434  102.611   76.180   84.168   31.912   9.9958   3.3414   9.0303   1.8815 0.9654779 3.834697 
1 1 1  -21   28   20 o   6.1950   2.0200 -25.2840   38.850  -7.2320  102.655 -28.3016   41.972   7.8612   3.4622   4.5288   2.0821 3.332447 4.040060 
1 1 1  -21   28   21 o   28.162   1.0801  757.284   39.104  828.633  112.125  747.404   41.724   28.656   2.0156   27.668   0.7768 0.9879074 2.160168 
1 1 1  -21   28   22 o   20.046   1.2968  407.085   37.422  400.883   90.917  408.349   41.061   19.704   2.3770   20.388   1.0375 -0.6841278 2.593580 
1 1 1  -21   29    1 o   25.032   0.9617  611.659   46.703  629.476   65.687  593.445   66.415   25.404   1.3321   24.661   1.3874 0.7429333 1.923333 
1 1 1  -21   29    2 o   96.790   0.9016  9131.17  169.375  9284.61  241.615  8982.91  237.502   97.589   1.2754   95.991   1.2746 1.598351 1.803136 
1 1 1  -21   29    3 o   49.395   0.6783  2373.99   65.042  2373.79   92.297  2374.18   91.672   49.393   0.9626   49.398   0.9560 -0.4878998E-02 1.356697 
1 1 1  -21   29    4 o   31.303   0.7763  954.282   47.164  964.014   66.294  944.307   67.115   31.466   1.0853   31.140   1.1103 0.3255577 1.552641 
1 1 1  -21   29    5 o   18.979   1.1759  350.566   43.217  378.147   63.850  327.247   58.710   19.664   1.6727   18.294   1.6532 1.369659 2.351810 
1 1 1  -21   29    6 o   27.674   0.8445  746.234   45.365  749.842   64.446  742.690   63.870   27.740   1.1968   27.608   1.1918 0.1321659 1.689000 
1 1 1  -21   29    7 o   16.993   1.2448  282.958   41.036  274.590   58.497  291.066   57.581   16.743   1.7999   17.244   1.7202 -0.5018616 2.489681 
1 1 1  -21   29    8 o   15.068   1.4058  229.633   38.655  161.602   54.165  300.248   55.184   12.617   2.2961   17.520   1.6226 -4.902557 2.811606 
1 1 1  -21   29    9 o   27.733   0.7634  750.730   40.993  722.581   59.418  776.299   56.629   27.232   1.1240   28.234   1.0332 -1.002649 1.526771 
1 1 1  -21   29   10 o   36.820   0.6335  1320.04   45.226  1335.64   62.648  1303.07   65.357   37.050   0.8711   36.591   0.9202 0.4597397 1.267062 
1 1 1  -21   29   11 o   13.319   1.9950  204.241   40.494  137.143   93.040  219.922   44.977   11.647   3.6784   14.991   1.5456 -3.344058 3.989975 
1 1 1  -21   29   12 o   16.825   2.0100  311.888   44.190  254.790  112.745  322.251   48.033   15.493   3.7819   18.157   1.3628 -2.664138 4.019937 
1 1 1  -21   29   13 o   6.8578   2.1456  -0.0827   41.100 -19.3638  109.776   3.0606   44.324   8.1326   3.5811   5.5830   2.3645 2.549603 4.291293 
1 1 1  -21   29   14 o   7.5282   2.0915 -27.5302   41.274  117.793   92.287 -63.8660   46.147   10.897   3.6775   4.1591   1.9934 6.738092 4.183025 
1 1 1  -21   29   15 o   7.6862   2.1159   36.613   28.701   54.512   99.014   34.971   29.989   9.2197   3.6762   6.1526   2.0963 3.067062 4.231855 
1 1 1  -21   29   16 o   16.923   1.4566  188.325   28.018  432.057  107.549  170.579   29.020   20.642   2.6841   13.205   1.1322 7.437096 2.913108 
1 1 1  -21   29   17 o   13.739   1.6985  193.137   25.964  193.288   83.632  193.121   27.314   13.417   3.2462   14.061   1.0007 -0.6434402 3.396973 
1 1 1  -21   29   18 o   34.328   0.9606  1110.91   48.658  1235.33  118.917  1085.89   53.327   35.290   1.7359   33.366   0.8233 1.923939 1.921270 
1 1 1  -21   29   19 o   12.490   1.7524  162.030   26.174  160.806   80.578  162.174   27.675   12.119   3.3249   12.861   1.1085 -0.7420340 3.504816 
1 1 1  -21   29   20 o   8.3843   2.1713   45.424   28.088  105.947  101.211   40.374   29.236   10.376   3.8193   6.3926   2.0666 3.983402 4.342604 
1 1 1  -21   29   21 o   11.411   2.0579  147.898   31.981  109.700  104.345  151.858   33.597   10.439   3.8713   12.384   1.3976 -1.945541 4.115880 
1 1 1  -21   29   22 f   5.9707   1.7493   16.571   32.531 -111.9021   85.443   38.353   35.181   5.5288   2.6659   6.4127   2.2657 -0.8838472 3.498609 
1 1 1  -21   30    1 f   7.2971   2.0411   25.594   43.752   1.3907   60.323   52.459   63.554   6.4438   2.7449   8.1504   3.0216 -1.706637 4.082193 
1 1 1  -21   30    2 o   46.191   0.6929  2080.04   61.978  2132.16   85.429  2022.13   90.055   46.808   0.9402   45.574   1.0179 1.234009 1.385702 
1 1 1  -21   30    3 o   74.425   0.7593  5392.47  109.664  5325.82  152.790  5463.27  157.493   73.953   1.0643   74.897   1.0833 -0.9437637 1.518636 
1 1 1  -21   30    4 o   11.954   1.8717  147.208   42.392  125.904   59.845  168.663   60.058   11.053   2.7892   12.856   2.4966 -1.802883 3.743370 
1 1 1  -21   30    5 o   13.351   1.7430  187.373   42.941  241.539   58.685  124.948   63.000   15.689   1.9269   11.012   2.9052 4.677252 3.486080 
1 1 1  -21   30    6 o   5.7236   1.8019 -20.8932   40.413 -25.7959   56.931 -15.9132   57.377   5.5969   2.5142   5.8502   2.5819 -0.2532220 3.603763 
1 1 1  -21   30    7 o   11.542   1.8355  138.904   40.296  163.913   55.372  110.749   58.751   12.698   2.3323   10.385   2.8349 2.313227 3.670993 
1 1 1  -21   30    8 o   44.168   0.6511  1898.71   55.810  1891.49   79.708  1905.66   78.169   44.085   0.9314   44.252   0.9100 -0.1675873 1.302161 
1 1 1  -21   30    9 o   42.366   0.6221  1746.97   51.145  1725.44   73.013  1767.71   71.666   42.108   0.8933   42.624   0.8662 -0.5160751 1.244237 
1 1 1  -21   30   10 o   28.071   0.7127  768.123   38.804  737.478   55.154  798.163   54.606   27.514   1.0327   28.628   0.9826 -1.114662 1.425450 
1 1 1  -21   30   11 o   5.7681   1.9286 -54.3378   42.522 -53.3463   98.613 -54.5643   47.129   7.1414   3.2482   4.3949   2.0802 2.746526 3.857249 
1 1 1  -21   30   12 o   30.643   1.1245  961.606   49.926  860.530  118.240  983.536   55.077   29.508   2.0643   31.779   0.8928 -2.271099 2.249072 
1 1 1  -21   30   13 o   34.853   1.0208  1101.13   55.729  1348.02  128.840  1044.30   61.811   36.980   1.7948   32.727   0.9730 4.253258 2.041574 
1 1 1  -21   30   14 o   20.781   1.3686  428.367   37.633  426.371  101.981  428.681   40.490   20.602   2.5500   20.960   0.9951 -0.3580017 2.737296 
1 1 1  -21   30   15 o   9.7188   3.7103   76.877   97.391   76.877   97.391   0.0000   0.0000   9.7188   3.7103  ?   ?       ?      ? 
1 1 1  -21   30   16 f   24.462   2.2972  599.925  109.080  599.925  109.080   0.0000   0.0000   24.462   2.2972  ?   ?       ?      ? 
1 1 1  -21   30   17 o   26.339   1.7360  687.291   88.761  687.291   88.761   0.0000   0.0000   26.339   1.7360  ?   ?       ?      ? 
1 1 1  -21   30   18 o   6.7659   3.1696 -86.1800  104.523 -86.1800  104.523   0.0000   0.0000   6.7659   3.1696  ?   ?       ?      ? 
1 1 1  -21   30   19 o   4.9487   2.4559 -201.2858   90.135 -201.2858   90.135   0.0000   0.0000   4.9487   2.4559  ?   ?       ?      ? 
1 1 1  -21   30   20 o   23.506   2.2286  561.917  101.687  561.917  101.687   0.0000   0.0000   23.506   2.2286  ?   ?       ?      ? 
1 1 1  -21   30   21 o   31.044   1.9319  973.871  116.419  973.871  116.419   0.0000   0.0000   31.044   1.9319  ?   ?       ?      ? 
1 1 1  -21   30   22 o   19.802   2.5584  411.087   98.344  411.087   98.344   0.0000   0.0000   19.802   2.5584  ?   ?       ?      ? 
1 1 1  -21   31    1 o   14.413   1.6761  215.589   43.547  126.701   60.823  309.081   62.378   11.075   2.8213   17.751   1.8102 -6.676929 3.352128 
1 1 1  -21   31    2 o   29.689   0.8152  859.721   46.949  880.385   65.674  838.121   67.142   30.057   1.1256   29.321   1.1796 0.7361183 1.630492 
1 1 1  -21   31    3 o   41.879   0.6795  1710.87   55.110  1818.38   77.250  1599.46   78.643   43.226   0.9206   40.531   0.9996 2.695023 1.358926 
1 1 1  -21   31    4 o   25.615   0.8920  639.951   44.316  674.701   63.151  606.237   62.204   26.303   1.2369   24.928   1.2855 1.374968 1.783908 
1 1 1  -21   31    5 f   28.987   0.8148  818.796   45.759  816.580   62.777  821.308   66.841   28.949   1.1171   29.025   1.1863 -0.7641983E-01 1.629539 
1 1 1  -21   31    6 o   44.656   0.6566  1939.59   56.869  2050.51   81.483  1834.24   79.408   45.902   0.9145   43.410   0.9423 2.491703 1.313105 
1 1 1  -21   31    7 o   20.360   0.9889  404.686   39.026  435.486   55.929  375.457   54.483   21.118   1.3643   19.602   1.4318 1.515442 1.977745 
1 1 1  -21   31    8 o   5.6732   1.7426 -20.8750   37.704 -59.6261   52.426   20.640   54.264   4.6539   2.2002   6.6925   2.7029 -2.038571 3.485161 
1 1 1  -21   31    9 o   42.592   0.6361  1765.56   52.585  1792.01   74.820  1739.74   73.921   42.907   0.8983   42.276   0.9008 0.6307449 1.272131 
1 1 1  -21   31   10 o   23.007   0.8239  516.067   36.762  484.657   51.295  549.237   52.712   22.286   1.1857   23.728   1.1444 -1.442732 1.647897 
1 1 1  -21   31   11 o   36.954   0.8681  1334.55   53.746  1332.95  107.872  1335.08   61.989   36.880   1.5068   37.029   0.8624 -0.1496620 1.736144 
1 1 1  -21   31   12 o   12.142   2.1236  136.639   39.128  173.840  101.119  130.089   42.434   12.807   3.7962   11.478   1.9045 1.329494 4.247148 
1 1 1  -21   31   13 o   35.815   1.8127  1266.47  126.025  1266.47  126.025   0.0000   0.0000   35.815   1.8127  ?   ?       ?      ? 
1 1 1  -21   31   14 f   12.013   3.8428  152.077  101.293  152.077  101.293   0.0000   0.0000   12.013   3.8428  ?   ?       ?      ? 
1 1 1  -21   31   15 o   18.588   2.7947  351.679  100.839  351.679  100.839   0.0000   0.0000   18.588   2.7947  ?   ?       ?      ? 
1 1 1  -21   31   16 o   20.609   2.7520  432.625  110.097  432.625  110.097   0.0000   0.0000   20.609   2.7520  ?   ?       ?      ? 
1 1 1  -21   31   17 o   23.911   1.8718  569.314   86.877  569.314   86.877   0.0000   0.0000   23.911   1.8718  ?   ?       ?      ? 
1 1 1  -21   31   18 o   34.782   1.7396  1203.73  117.457  1203.73  117.457   0.0000   0.0000   34.782   1.7396  ?   ?       ?      ? 
1 1 1  -21   31   19 o   15.252   3.4220  257.755   98.823  257.755   98.823   0.0000   0.0000   15.252   3.4220  ?   ?       ?      ? 
1 1 1  -21   31   20 o   11.907   3.7579  160.145   97.117  160.145   97.117   0.0000   0.0000   11.907   3.7579  ?   ?       ?      ? 
1 1 1  -21   31   21 f   8.4968   3.6328   28.777  106.376   28.777  106.376   0.0000   0.0000   8.4968   3.6328  ?   ?       ?      ? 
1 1 1  -21   32    1 o   10.801   2.0142  123.364   43.978  154.517   58.661   83.384   66.453   12.264   2.5474   9.3394   3.1208 2.924148 4.028472 
1 1 1  -21   32    2 o   36.695   0.7436  1314.27   52.806  1434.74   74.763  1194.34   74.594   38.382   1.0034   35.007   1.0977 3.374557 1.487223 
1 1 1  -21   32    3 f   32.249   0.7623  1013.07   47.716  993.457   66.823  1033.47   68.158   31.931   1.0781   32.568   1.0781 -0.6366920 1.524656 
1 1 1  -21   32    4 o   23.425   0.9652  537.265   43.686  476.557   61.597  598.704   61.967   22.082   1.4370   24.767   1.2889 -2.685358 1.930338 
1 1 1  -21   32    5 f   6.3604   1.9073   2.5248   41.227   18.242   54.356 -18.7635   63.260   6.6204   2.6939   6.1003   2.7007 0.5201092 3.814503 
1 1 1  -21   32    6 o   55.589   0.6664  3006.81   71.766  2982.76   98.285  3034.28  105.035   55.356   0.9146   55.822   0.9693 -0.4662323 1.332716 
1 1 1  -21   32    7 o   14.978   1.3446  218.235   38.620  174.931   52.031  271.365   57.632   13.330   2.0108   16.627   1.7856 -3.297336 2.689212 
1 1 1  -21   32    8 o   32.446   0.6978  1024.94   43.851  1017.77   59.925  1033.21   64.340   32.328   0.9549   32.564   1.0178 -0.2367516 1.395662 
1 1 1  -21   32    9 f   43.359   0.6300  1830.51   53.022  1809.38   74.922  1851.70   75.047   43.108   0.8953   43.610   0.8865 -0.5025215 1.259965 
1 1 1  -21   32   10 o   21.199   0.8331  438.602   34.254  414.386   47.891  463.966   49.014   20.598   1.1978   21.800   1.1583 -1.201864 1.666185 
1 1 1  -21   32   11 o   5.5384   1.8454 -34.4636   38.070 -98.6939   97.845 -23.0053   41.327   6.4241   3.0274   4.6526   2.1111 1.771432 3.690762 
1 1 1  -21   32   12 o   10.972   1.9359  107.096   29.474  145.167   87.140  102.178   31.320   11.750   3.5334   10.194   1.5828 1.556315 3.871710 
1 1 1  -21   32   13 f   7.7307   3.4600 -32.1613  106.783 -32.1613  106.783   0.0000   0.0000   7.7307   3.4600  ?   ?       ?      ? 
1 1 1  -21   32   14 o   28.524   1.9994  809.371  110.709  809.371  110.709   0.0000   0.0000   28.524   1.9994  ?   ?       ?      ? 
1 1 1  -21   32   15 o   10.042   3.7666   87.830   99.324   87.830   99.324   0.0000   0.0000   10.042   3.7666  ?   ?       ?      ? 
1 1 1  -21   32   16 o   17.956   3.3572  346.364  112.714  346.364  112.714   0.0000   0.0000   17.956   3.3572  ?   ?       ?      ? 
1 1 1  -21   32   17 o   16.414   2.7096  276.768   86.335  276.768   86.335   0.0000   0.0000   16.414   2.7096  ?   ?       ?      ? 
1 1 1  -21   32   18 o   16.050   3.5798  286.642  108.695  286.642  108.695   0.0000   0.0000   16.050   3.5798  ?   ?       ?      ? 
1 1 1  -21   32   19 o   7.5442   3.3697 -19.0531  100.729 -19.0531  100.729   0.0000   0.0000   7.5442   3.3697  ?   ?       ?      ? 
1 1 1  -21   32   20 o   25.739   1.9679  670.250   98.326  670.250   98.326   0.0000   0.0000   25.739   1.9679  ?   ?       ?      ? 
1 1 1  -21   32   21 o   25.020   2.4328  651.523  118.158  651.523  118.158   0.0000   0.0000   25.020   2.4328  ?   ?       ?      ? 
1 1 1  -21   33    1 o   40.524   0.7198  1599.86   56.607  1658.49   80.699  1543.06   79.425   41.256   1.0077   39.792   1.0283 1.464809 1.439681 
1 1 1  -21   33    2 o   18.286   1.2429  334.569   42.833  424.911   60.516  243.876   60.634   20.836   1.4962   15.736   1.9850 5.100438 2.485708 
1 1 1  -21   33    3 o   19.584   1.1490  376.168   43.619  352.800   61.616  399.641   61.756   18.968   1.6734   20.200   1.5750 -1.231737 2.298021 
1 1 1  -21   33    4 o   12.695   1.7810  174.494   42.378  237.885   57.238   97.584   63.046   15.553   1.8958   9.8370   3.0157 5.716134 3.562081 
1 1 1  -21   33    5 o   18.479   1.1983  332.017   42.672  280.683   57.704  393.967   63.390   16.909   1.7580   20.049   1.6288 -3.139803 2.396607 
1 1 1  -21   33    6 o   8.1053   1.9636   56.310   38.848   88.440   55.788   26.062   54.129   9.3570   2.8302   6.8536   2.7227 2.503364 3.927261 
1 1 1  -21   33    7 o   29.110   0.7362  824.538   41.562  792.441   57.279  860.227   60.399   28.513   1.0349   29.706   1.0474 -1.192966 1.472425 
1 1 1  -21   33    8 o   11.457   1.6683  133.779   36.501  107.050   51.577  160.598   51.663   10.167   2.6025   12.747   2.0880 -2.579988 3.336528 
1 1 1  -21   33    9 o   25.968   0.7564  659.794   37.975  593.550   53.812  725.508   53.597   24.658   1.1242   27.277   1.0122 -2.618343 1.512770 
1 1 1  -21   33   10 o   18.171   0.9181  323.204   32.366  320.971   46.504  325.302   45.075   18.108   1.3230   18.235   1.2734 -0.1274414 1.836272 
1 1 1  -21   33   11 o   8.5291   2.1088   67.846   33.150   20.817  103.897   73.177   34.979   8.6356   3.6367   8.4225   2.1362 0.2130823 4.217699 
1 1 1  -21   33   12 o   19.435   1.9420  382.593   73.241  385.646  102.520  379.412  104.670   19.527   2.7047   19.344   2.7875 0.1827221 3.883959 
1 1 1  -21   33   13 o   21.412   2.6366  464.172  109.586  464.172  109.586   0.0000   0.0000   21.412   2.6366  ?   ?       ?      ? 
1 1 1  -21   33   14 o   8.7895   3.6515   32.845  102.630   32.845  102.630   0.0000   0.0000   8.7895   3.6515  ?   ?       ?      ? 
1 1 1  -21   33   15 o   15.340   3.3617  254.105   97.338  254.105   97.338   0.0000   0.0000   15.340   3.3617  ?   ?       ?      ? 
1 1 1  -21   33   16 o   9.8135   3.8602   75.069  107.812   75.069  107.812   0.0000   0.0000   9.8135   3.8602  ?   ?       ?      ? 
1 1 1  -21   33   17 o   18.747   2.6556  361.456   96.641  361.456   96.641   0.0000   0.0000   18.747   2.6556  ?   ?       ?      ? 
1 1 1  -21   33   18 o   8.9048   3.6998   42.585  105.373   42.585  105.373   0.0000   0.0000   8.9048   3.6998  ?   ?       ?      ? 
1 1 1  -21   33   19 o   19.899   2.8579  416.523  110.390  416.523  110.390   0.0000   0.0000   19.899   2.8579  ?   ?       ?      ? 
1 1 1  -21   33   20 o   10.863   3.8973  129.088  104.476  129.088  104.476   0.0000   0.0000   10.863   3.8973  ?   ?       ?      ? 
1 1 1  -21   34    1 o   25.995   0.9507  662.601   47.842  687.543   66.106  635.168   69.327   26.519   1.2842   25.471   1.4021 1.047783 1.901333 
1 1 1  -21   34    2 o   20.225   1.1132  399.798   43.513  350.057   59.785  455.827   63.451   18.884   1.6309   21.566   1.5157 -2.681398 2.226462 
1 1 1  -21   34    3 o   18.660   1.1723  338.926   42.236  295.041   57.075  392.048   62.795   17.331   1.6965   19.988   1.6184 -2.657703 2.344667 
1 1 1  -21   34    4 f   21.671   1.0296  461.607   42.758  471.582   56.504  448.240   65.407   21.962   1.3254   21.379   1.5760 0.5826721 2.059256 
1 1 1  -21   34    5 o   18.956   1.1058  353.007   40.614  369.999   56.732  335.144   58.169   19.432   1.5040   18.480   1.6215 0.9521179 2.211667 
1 1 1  -21   34    6 o   36.104   0.7043  1270.07   49.348  1241.16   68.898  1300.52   70.715   35.683   0.9947   36.526   0.9973 -0.8428917 1.408570 
1 1 1  -21   34    7 o   10.320   1.8255  111.242   37.360  144.212   52.342   76.999   53.342   11.844   2.3595   8.7954   2.7860 3.048545 3.650924 
1 1 1  -21   34    8 o   62.560   0.6716  3811.89   81.495  3741.07  112.635  3889.70  118.059   61.954   0.9366   63.165   0.9628 -1.211193 1.343218 
1 1 1  -21   34    9 o   6.4347   1.8016   23.351   33.663   33.210   46.752   12.738   48.510   6.7567   2.5728   6.1127   2.5226 0.6439843 3.603117 
1 1 1  -21   34   10 o   20.078   1.5242  375.104   41.564  438.996  113.486  365.206   44.667   20.832   2.8063   19.324   1.1907 1.507856 3.048495 
1 1 1  -21   34   11 o   9.4604   2.7315   36.786   81.115 -13.1540  110.006   96.295  120.084   8.1721   3.5920   10.749   4.1160 -2.576609 5.462941 
1 1 1  -21   34   12 o   13.701   2.6409  187.246   72.696  122.358   91.882  295.846  118.868   10.952   3.6696   16.451   3.7989 -5.499792 5.281823 
1 1 1  -21   34   13 o   18.385   3.0367  347.004  108.379  347.004  108.379   0.0000   0.0000   18.385   3.0367  ?   ?       ?      ? 
1 1 1  -21   34   14 o   34.710   1.7361  1192.99  116.975  1192.99  116.975   0.0000   0.0000   34.710   1.7361  ?   ?       ?      ? 
1 1 1  -21   34   15 o   22.711   2.2707  519.868  100.110  519.868  100.110   0.0000   0.0000   22.711   2.2707  ?   ?       ?      ? 
1 1 1  -21   34   16 o   18.652   3.0997  364.335  112.230  364.335  112.230   0.0000   0.0000   18.652   3.0997  ?   ?       ?      ? 
1 1 1  -21   34   17 o   9.0363   3.6580   54.656   99.643   54.656   99.643   0.0000   0.0000   9.0363   3.6580  ?   ?       ?      ? 
1 1 1  -21   34   18 o   8.6369   3.6418   32.796  104.402   32.796  104.402   0.0000   0.0000   8.6369   3.6418  ?   ?       ?      ? 
1 1 1  -21   34   19 f   15.660   3.7236  283.079  111.538  283.079  111.538   0.0000   0.0000   15.660   3.7236  ?   ?       ?      ? 
1 1 1  -21   34   20 o   5.9844   2.8470 -91.4687   90.491 -91.4687   90.491   0.0000   0.0000   5.9844   2.8470  ?   ?       ?      ? 
1 1 1  -21   35    1 o   7.4925   1.9685   27.100   44.086   87.351   60.184 -42.6612   64.761   9.3265   2.9599   5.6585   2.5958 3.668004 3.936916 
1 1 1  -21   35    2 o   33.283   0.7535  1081.53   48.575  1088.37   66.664  1073.79   70.923   33.401   1.0282   33.164   1.1017 0.2369232 1.506924 
1 1 1  -21   35    3 o   18.154   1.2295  324.961   43.214  331.735   59.391  317.339   62.995   18.366   1.6659   17.942   1.8087 0.4239216 2.458944 
1 1 1  -21   35    4 o   23.066   0.9912  525.068   43.970  556.776   59.475  486.847   65.299   23.857   1.2842   22.276   1.5101 1.581673 1.982359 
1 1 1  -21   35    5 o   27.283   0.8339  726.354   44.061  659.026   61.173  798.938   63.516   25.966   1.2137   28.601   1.1440 -2.634928 1.667872 
1 1 1  -21   35    6 o   22.439   0.9483  491.560   41.242  457.616   56.691  529.718   60.107   21.617   1.3510   23.261   1.3312 -1.643723 1.896645 
1 1 1  -21   35    7 o   8.3007   1.9763   64.764   38.743   85.961   53.131   40.695   56.617   9.1750   2.7591   7.4264   2.8304 1.748626 3.952685 
1 1 1  -21   35    8 o   10.675   1.6924  119.237   35.357  154.800   48.630   79.355   51.498   12.498   2.0045   8.8512   2.7275 3.646574 3.384889 
1 1 1  -21   35    9 o   22.778   0.7693  504.746   33.910  452.973   46.458  563.779   49.609   21.529   1.1116   24.026   1.0637 -2.496250 1.538574 
1 1 1  -21   35   10 o   14.346   2.0503  206.543   31.869  221.000  111.904  205.267   33.246   14.209   3.9265   14.483   1.1826 -0.2731915 4.100672 
1 1 1  -21   35   11 o   34.452   1.3571  1178.55   90.656  1181.10  125.395  1175.75  131.217   34.510   1.8718   34.394   1.9654 0.1158943 2.714115 
1 1 1  -21   35   12 o   9.9137   2.7177   76.548   72.895   73.710   92.113   81.304  119.236   9.4895   3.6118   10.338   4.0618 -0.8485222 5.435376 
1 1 1  -21   35   13 o   11.113   3.9381  122.412  106.359  122.412  106.359   0.0000   0.0000   11.113   3.9381  ?   ?       ?      ? 
1 1 1  -21   35   14 o   13.896   3.7690  214.012  104.238  214.012  104.238   0.0000   0.0000   13.896   3.7690  ?   ?       ?      ? 
1 1 1  -21   35   15 o   6.6009   3.0729 -71.0374   95.750 -71.0374   95.750   0.0000   0.0000   6.6009   3.0729  ?   ?       ?      ? 
1 1 1  -21   35   16 o   12.374   3.9763  170.728  108.355  170.728  108.355   0.0000   0.0000   12.374   3.9763  ?   ?       ?      ? 
1 1 1  -21   35   17 o   7.4386   3.3481 -27.5994  101.532 -27.5994  101.532   0.0000   0.0000   7.4386   3.3481  ?   ?       ?      ? 
1 1 1  -21   35   18 o   8.2288   3.5350   18.830  101.586   18.830  101.586   0.0000   0.0000   8.2288   3.5350  ?   ?       ?      ? 
1 1 1  -21   35   19 o   11.068   4.0281  134.727  112.118  134.727  112.118   0.0000   0.0000   11.068   4.0281  ?   ?       ?      ? 
1 1 1  -21   36    1 o   31.184   0.8356  952.038   50.463  967.238   69.374  934.958   73.537   31.458   1.1361   30.910   1.2256 0.5470619 1.671135 
1 1 1  -21   36    2 o   21.451   1.1034  451.989   45.925  435.951   63.854  469.176   66.101   21.057   1.5621   21.845   1.5588 -0.7882881 2.206828 
1 1 1  -21   36    3 o   49.047   0.6887  2335.75   65.363  2218.31   88.273  2478.30   97.253   47.693   0.9535   50.401   0.9940 -2.707130 1.377385 
1 1 1  -21   36    4 o   32.946   0.7420  1053.87   47.287  994.448   63.708  1126.77   70.564   31.921   1.0281   33.970   1.0701 -2.049604 1.483971 
1 1 1  -21   36    5 o   17.925   1.2129  316.236   41.907  268.232   57.881  369.127   60.756   16.482   1.8091   19.368   1.6160 -2.886269 2.425729 
1 1 1  -21   36    6 o   19.098   1.0773  359.054   39.860  381.125   56.043  336.460   56.704   19.702   1.4654   18.494   1.5795 1.207582 2.154539 
1 1 1  -21   36    7 o   31.638   0.7156  976.669   43.932  1012.31   62.804  942.516   61.476   32.205   1.0046   31.072   1.0192 1.132603 1.431105 
1 1 1  -21   36    8 o   20.372   0.9202  409.542   35.883  328.892   50.347  492.806   51.156   18.301   1.4172   22.443   1.1742 -4.141808 1.840462 
1 1 1  -21   36    9 f   8.9125   1.6402   82.467   28.748   92.108   40.882   73.036   40.434   9.4132   2.2648   8.4118   2.3731 1.001383 3.280427 
1 1 1  -21   36   10 o   21.711   1.8548  477.316   78.124  471.668  112.021  482.664  109.009   21.568   2.6756   21.854   2.5696 -0.2862911 3.709661 
1 1 1  -21   36   11 f   15.039   2.6203  245.288   77.626  324.711  112.652  173.478  107.118   17.397   3.4576   12.682   3.9380 4.715489 5.240517 
1 1 1  -21   36   12 o   16.509   2.2189  287.503   68.951  296.915   92.043  275.467  104.086   17.057   2.7799   15.960   3.4594 1.096506 4.437896 
1 1 1  -21   36   13 o   7.7531   3.4405 -18.6744  103.258 -18.6744  103.258   0.0000   0.0000   7.7531   3.4405  ?   ?       ?      ? 
1 1 1  -21   36   14 o   15.831   3.5998  276.879  108.121  276.879  108.121   0.0000   0.0000   15.831   3.5998  ?   ?       ?      ? 
1 1 1  -21   36   15 o   26.350   2.0320  697.743  103.933  697.743  103.933   0.0000   0.0000   26.350   2.0320  ?   ?       ?      ? 
1 1 1  -21   36   16 o   16.127   3.5725  290.643  108.896  290.643  108.896   0.0000   0.0000   16.127   3.5725  ?   ?       ?      ? 
1 1 1  -21   36   17 o   14.938   3.7734  256.215  109.451  256.215  109.451   0.0000   0.0000   14.938   3.7734  ?   ?       ?      ? 
1 1 1  -21   36   18 o   9.0477   3.6151   65.029   95.946   65.029   95.946   0.0000   0.0000   9.0477   3.6151  ?   ?       ?      ? 
1 1 1  -21   36   19 o   8.3072   3.6239   14.339  110.119   14.339  110.119   0.0000   0.0000   8.3072   3.6239  ?   ?       ?      ? 
1 1 1  -21   37    1 o   26.507   0.9342  689.409   48.012  731.900   68.244  647.766   67.560   27.324   1.2867   25.691   1.3547 1.632240 1.868323 
1 1 1  -21   37    2 o   25.311   0.9602  629.789   47.039  574.757   66.511  684.863   66.536   24.191   1.4164   26.432   1.2968 -2.240852 1.920349 
1 1 1  -21   37    3 o   31.016   0.8136  945.232   48.562  978.046   65.249  904.485   72.710   31.639   1.0624   30.392   1.2325 1.247637 1.627145 
1 1 1  -21   37    4 o   12.684   1.7298  165.327   41.576  178.455   57.317  150.749   60.401   13.370   2.2084   11.998   2.6630 1.372337 3.459553 
1 1 1  -21   37    5 o   11.399   1.8363  133.139   39.470  113.784   51.813  159.903   60.928   10.426   2.5753   12.373   2.6184 -1.947169 3.672660 
1 1 1  -21   37    6 o   26.544   0.8109  689.757   41.710  698.303   57.526  680.285   60.564   26.724   1.1089   26.364   1.1834 0.3604889 1.621789 
1 1 1  -21   37    7 o   19.297   1.0372  366.963   38.768  387.449   54.239  345.565   55.434   19.859   1.4070   18.736   1.5242 1.123655 2.074314 
1 1 1  -21   37    8 o   7.5585   1.8508   52.441   33.346   41.308   46.597   64.127   47.741   7.0470   2.5919   8.0700   2.6429 -1.023046 3.701697 
1 1 1  -21   37    9 o   24.969   1.2036  500.096   38.501  467.327   40.638  787.286  120.306   21.880   0.9568   28.057   2.2089 -6.176529 2.407233 
1 1 1  -21   37   10 o   13.297   2.6878  193.281   72.886  201.101   99.713  184.309  106.806   13.580   3.6875   13.015   3.9114 0.5649242 5.375620 
1 1 1  -21   37   11 o   11.523   2.6796  132.091   75.679   44.062  110.618  209.547  103.762   9.2441   3.8114   13.801   3.7675 -4.557291 5.359165 
1 1 1  -21   37   12 o   9.5497   2.5295   78.133   63.590  101.573   93.066   57.607   87.091   10.246   3.6781   8.8532   3.4736 1.392951 5.059099 
1 1 1  -21   37   13 o   8.2508   3.5611   8.7593  104.034   8.7593  104.034   0.0000   0.0000   8.2508   3.5611  ?   ?       ?      ? 
1 1 1  -21   37   14 o   9.3880   3.7749   62.072  105.337   62.072  105.337   0.0000   0.0000   9.3880   3.7749  ?   ?       ?      ? 
1 1 1  -21   37   15 o   13.892   3.7476  218.591  103.386  218.591  103.386   0.0000   0.0000   13.892   3.7476  ?   ?       ?      ? 
1 1 1  -21   37   16 o   37.463   1.6985  1400.94  123.520  1400.94  123.520   0.0000   0.0000   37.463   1.6985  ?   ?       ?      ? 
1 1 1  -21   37   17 o   10.574   3.9857  113.012  111.481  113.012  111.481   0.0000   0.0000   10.574   3.9857  ?   ?       ?      ? 
1 1 1  -21   37   18 o   7.3742   3.2635  -5.5556   92.297  -5.5556   92.297   0.0000   0.0000   7.3742   3.2635  ?   ?       ?      ? 
1 1 1  -21   38    1 o   6.4160   1.9675  -3.9668   45.281   2.2951   61.159 -11.5636   67.364   6.4303   2.7521   6.4017   2.8124 0.2866936E-01 3.934905 
1 1 1  -21   38    2 o   19.830   1.2172  392.053   45.433  517.481   65.813  277.855   62.798   22.935   1.4783   16.726   1.9342 6.208893 2.434409 
1 1 1  -21   38    3 o   10.022   2.0963  104.802   43.603  103.119   60.054  106.679   63.412   9.9376   2.9201   10.106   3.0086 -0.1685047 4.192676 
1 1 1  -21   38    4 o   16.372   1.2922  263.126   40.878  296.717   61.279  236.191   54.872   17.306   1.8241   15.439   1.8309 1.866827 2.584486 
1 1 1  -21   38    5 o   22.123   0.9935  489.478   41.803  581.451   57.933  389.569   60.380   24.362   1.2250   19.883   1.5644 4.479057 1.986959 
1 1 1  -21   38    6 o   10.294   1.8571  111.252   37.228  112.040   52.460  110.452   52.840   10.331   2.6139   10.256   2.6388 0.7479000E-01 3.714229 
1 1 1  -21   38    7 o   10.727   1.7650  120.292   36.075  113.392   50.452  127.511   51.604   10.404   2.5239   11.050   2.4681 -0.6456728 3.530045 
1 1 1  -21   38    8 o   5.8110   1.8737 -22.2121   42.141   11.837   44.875 -276.4134  122.614   5.8660   2.4239   5.7560   2.8578 0.1099949 3.747348 
1 1 1  -21   38    9 o   17.177   2.5915  322.502   82.281  329.263  105.824  312.165  130.844   17.606   3.2149   16.749   4.0655 0.8575134 5.183004 
1 1 1  -21   38   10 o   13.625   2.7339  202.292   73.562  195.868   91.736  213.863  123.122   13.401   3.4914   13.848   4.2081 -0.4464130 5.467899 
1 1 1  -21   38   11 o   8.8698   2.6689   9.1166   81.938 -42.2859  110.270   72.488  122.437   7.6220   3.4544   10.118   4.0692 -2.495628 5.337742 
1 1 1  -21   38   12 o   15.502   2.5200  262.867   73.594  248.231   96.812  282.904  113.271   15.063   3.3925   15.941   3.7272 -0.8777838 5.039944 
1 1 1  -21   38   13 o   17.529   3.2831  333.277  107.605  333.277  107.605   0.0000   0.0000   17.529   3.2831  ?   ?       ?      ? 
1 1 1  -21   38   14 o   22.108   2.5474  502.180  109.324  502.180  109.324   0.0000   0.0000   22.108   2.5474  ?   ?       ?      ? 
1 1 1  -21   38   15 o   13.571   3.9882  212.839  112.015  212.839  112.015   0.0000   0.0000   13.571   3.9882  ?   ?       ?      ? 
1 1 1  -21   38   16 o   12.020   3.9889  164.836  108.620  164.836  108.620   0.0000   0.0000   12.020   3.9889  ?   ?       ?      ? 
1 1 1  -21   38   17 o   5.8444   2.8779 -207.7016  115.515 -207.7016  115.515   0.0000   0.0000   5.8444   2.8779  ?   ?       ?      ? 
1 1 1  -21   39    1 o   9.6498   2.1386   95.348   44.742   82.313   62.290  109.242   64.308   9.0952   3.0208   10.204   3.0280 -1.109179 4.277119 
1 1 1  -21   39    2 o   28.275   0.8753  783.872   48.016  792.928   66.974  774.295   68.875   28.449   1.2128   28.102   1.2626 0.3472347 1.750697 
1 1 1  -21   39    3 o   14.179   1.7022  205.571   43.853  115.511   58.875  317.802   65.724   10.466   2.8300   17.893   1.8923 -7.426567 3.404320 
1 1 1  -21   39    4 o   41.775   0.7094  1703.66   57.472  1683.79   79.311  1725.63   83.398   41.524   0.9839   42.026   1.0223 -0.5025940 1.418882 
1 1 1  -21   39    5 o   23.373   0.9342  536.227   41.863  536.761   55.091  535.496   64.400   23.407   1.2125   23.339   1.4215 0.6818390E-01 1.868349 
1 1 1  -21   39    6 o   9.9708   1.8097  103.694   35.815  132.204   51.473   76.935   49.866   11.258   2.4268   8.6835   2.6853 2.574594 3.619418 
1 1 1  -21   39    7 o   17.848   1.8754  337.534   44.160  341.918   48.040  313.641  112.155   18.660   1.3262   17.035   3.5085 1.625353 3.750783 
1 1 1  -21   39    8 o   18.246   1.6174  297.349   39.424  284.272   42.099  390.554  112.392   17.019   1.2743   19.473   2.9733 -2.454447 3.234859 
1 1 1  -21   39    9 o   11.796   2.7020  137.953   76.902   50.182  108.031  228.120  109.495   9.2725   3.7882   14.320   3.8541 -5.047089 5.404063 
1 1 1  -21   39   10 o   16.349   2.3848  315.404   73.585  417.860   95.744  167.552  115.016   20.295   2.4303   12.403   4.1041 7.892356 4.769692 
1 1 1  -21   39   11 o   11.952   2.8775  150.358   81.494  106.207  113.718  196.971  116.845   10.672   4.0248   13.231   4.1137 -2.559071 5.755070 
1 1 1  -21   39   12 o   9.3816   3.6767   70.007   97.481   70.007   97.481   0.0000   0.0000   9.3816   3.6767  ?   ?       ?      ? 
1 1 1  -21   39   13 o   17.030   3.4337  319.613  109.593  319.613  109.593   0.0000   0.0000   17.030   3.4337  ?   ?       ?      ? 
1 1 1  -21   39   14 o   8.6680   3.6677   30.883  106.487   30.883  106.487   0.0000   0.0000   8.6680   3.6677  ?   ?       ?      ? 
1 1 1  -21   39   15 o   20.184   2.9357  431.070  115.021  431.070  115.021   0.0000   0.0000   20.184   2.9357  ?   ?       ?      ? 
1 1 1  -21   39   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   39   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   40    1 o   37.034   0.7809  1344.68   56.059  1387.82   78.060  1298.74   80.557   37.659   1.0678   36.410   1.1398 1.249371 1.561834 
1 1 1  -21   40    2 o   24.056   1.0336  572.911   47.845  594.189   64.328  546.566   71.579   24.585   1.3479   23.527   1.5673 1.058287 2.067209 
1 1 1  -21   40    3 o   20.790   1.0967  426.554   44.126  426.516   60.140  426.598   64.944   20.802   1.4893   20.777   1.6102 0.2477455E-01 2.193372 
1 1 1  -21   40    4 o   13.814   1.6590  195.937   43.240  208.435   59.521  181.970   62.922   14.429   2.1251   13.198   2.5482 1.230436 3.318021 
1 1 1  -21   40    5 o   29.574   0.7949  861.165   45.342  912.258   61.973  802.307   66.515   30.541   1.0453   28.607   1.1978 1.933680 1.589792 
1 1 1  -21   40    6 o   10.180   2.3532  113.545   48.109  128.641   51.682   15.538  131.683   11.072   2.4677   9.2878   4.0075 1.784155 4.706346 
1 1 1  -21   40    7 o   9.8138   2.4725   75.501   41.332   69.873   43.708  123.091  127.100   8.2503   2.5073   11.377   4.2621 -3.127062 4.944917 
1 1 1  -21   40    8 o   25.551   1.3430  604.704   41.679  592.155   44.014  713.679  129.704   24.621   0.9209   26.481   2.5232 -1.860472 2.686001 
1 1 1  -21   40    9 o   11.891   2.8291  148.592   79.015  196.821  113.016  102.473  110.515   13.248   4.0330   10.533   3.9687 2.715187 5.658279 
1 1 1  -21   40   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   40   11 o   8.0361   2.4776   4.4488   69.965  -0.1909  118.368   6.9403   86.739   8.5136   3.7344   7.5586   3.2570 0.9550023 4.955161 
1 1 1  -21   40   12 o   17.243   3.2084  323.038  103.441  323.038  103.441   0.0000   0.0000   17.243   3.2084  ?   ?       ?      ? 
1 1 1  -21   40   13 o   9.2190   3.7805   54.925  108.105   54.925  108.105   0.0000   0.0000   9.2190   3.7805  ?   ?       ?      ? 
1 1 1  -21   40   14 o   10.909   3.9184  126.416  105.642  126.416  105.642   0.0000   0.0000   10.909   3.9184  ?   ?       ?      ? 
1 1 1  -21   40   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   40   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   41    1 o   34.710   0.8189  1180.29   55.099  1094.20   76.569  1272.75   79.349   33.392   1.1813   36.029   1.1345 -2.636856 1.637854 
1 1 1  -21   41    2 o   37.248   0.7670  1359.44   55.418  1417.63   78.440  1301.44   78.306   38.051   1.0620   36.445   1.1069 1.606255 1.533920 
1 1 1  -21   41    3 o   35.599   0.7564  1239.67   52.167  1222.85   71.341  1259.00   76.475   35.348   1.0397   35.849   1.0989 -0.5012970 1.512829 
1 1 1  -21   41    4 o   28.133   0.8359  779.014   45.498  826.775   63.222  727.705   65.528   29.046   1.1213   27.221   1.2401 1.824858 1.671882 
1 1 1  -21   41    5 o   25.179   0.8730  619.149   42.523  582.850   57.291  663.677   63.453   24.367   1.2112   25.990   1.2577 -1.623283 1.746075 
1 1 1  -21   41    6 o   34.076   1.0737  1113.16   57.153  1090.29   63.775  1206.44  128.799   33.389   0.9840   34.762   1.9087 -1.372730 2.147424 
1 1 1  -21   41    7 o   13.666   2.2650  144.704   42.773  123.038   45.556  305.981  124.292   10.861   2.2353   16.472   3.9402 -5.610243 4.530061 
1 1 1  -21   41    8 o   17.432   2.1009  328.937   33.444  330.234   34.605  310.580  130.218   18.374   0.9702   16.490   4.0884 1.884205 4.201897 
1 1 1  -21   41    9 o   21.676   2.1613  489.956   90.612  437.308  123.799  550.706  132.985   20.390   3.1277   22.962   2.9835 -2.571480 4.322532 
1 1 1  -21   41   10 o   15.522   2.7162  258.914   79.702  208.347  100.017  346.895  131.927   13.603   3.6928   17.440   3.9842 -3.836341 5.432400 
1 1 1  -21   41   11 o   7.8719   2.5361 -60.9589   87.044 -124.5579  119.878   9.9640  126.592   6.8503   3.2639   8.8936   3.8825 -2.043239 5.072165 
1 1 1  -21   41   12 o   33.894   1.7640  1148.93  116.064  1148.93  116.064   0.0000   0.0000   33.894   1.7640  ?   ?       ?      ? 
1 1 1  -21   41   13 o   7.4075   3.4083 -53.5724  112.776 -53.5724  112.776   0.0000   0.0000   7.4075   3.4083  ?   ?       ?      ? 
1 1 1  -21   41   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   41   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   42    1 f   22.402   1.2185  500.578   52.865  472.501   75.800  527.169   73.766   21.766   1.7940   23.039   1.6494 -1.272547 2.437021 
1 1 1  -21   42    2 f   26.049   0.9857  674.222   49.422  720.060   67.267  620.455   72.853   27.051   1.2810   25.047   1.4984 2.003454 1.971329 
1 1 1  -21   42    3 o   12.192   1.8121  158.097   41.530  137.375   59.579  177.680   57.920   11.335   2.7384   13.049   2.3740 -1.714523 3.624226 
1 1 1  -21   42    4 o   12.903   2.5106  105.182   53.660   60.089   58.248  358.115  137.951   8.0837   2.9090   17.722   4.0926 -9.638601 5.021131 
1 1 1  -21   42    5 o   10.088   2.3164  118.616   53.769  149.321   57.757 -80.9855  147.260   11.870   2.5802   8.3068   3.8477 3.563165 4.632796 
1 1 1  -21   42    6 o   12.094   2.4690  159.944   49.277  163.949   52.883  133.540  135.783   12.561   2.2515   11.627   4.3948 0.9342308 4.937949 
1 1 1  -21   42    7 o   7.1913   2.2767 -23.8686   41.410 -35.0508   43.956   64.367  123.475   4.5130   2.0946   9.8696   4.0430 -5.356551 4.553401 
1 1 1  -21   42    8 o   9.2523   2.6658   52.387   77.761 -23.1060  130.114   94.333   96.988   8.5039   3.8118   10.001   3.7277 -1.496705 5.331568 
1 1 1  -21   42    9 o   7.1273   2.3679 -98.3601   83.443 -64.8082  121.965 -127.8836  114.409   7.6391   3.5255   6.6155   3.1621 1.023589 4.735817 
1 1 1  -21   42   10 o   21.609   2.0496  499.672   82.896  541.163  107.463  438.705  130.265   22.988   2.4082   20.230   3.3172 2.758644 4.099177 
1 1 1  -21   42   11 o   20.945   2.4241  485.349   94.545  565.146  131.728  400.571  135.778   23.158   2.9303   18.731   3.8626 4.427107 4.848299 
1 1 1  -21   42   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   42   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   42   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   43    1 o   34.411   0.8244  1163.04   55.050  1188.83   79.002  1138.69   76.753   34.780   1.1702   34.042   1.1615 0.7381935 1.648725 
1 1 1  -21   43    2 o   17.135   1.5062  291.710   49.662  348.304   75.771  249.090   65.755   18.576   2.1013   15.693   2.1586 2.883617 3.012426 
1 1 1  -21   43    3 o   15.495   2.5522  260.744   59.561  259.660   64.913  266.519  149.793   16.046   2.0840   14.943   4.6596 1.103173 5.104364 
1 1 1  -21   43    4 o   6.8906   2.2650 -27.6959   50.444 -25.7886   54.334 -39.6028  135.759   5.3438   2.4231   8.4374   3.8275 -3.093681 4.530017 
1 1 1  -21   43    5 o   9.2020   2.4200   67.667   50.068   55.664   56.847  109.178  105.718   7.8595   2.8670   10.545   3.8995 -2.685062 4.840008 
1 1 1  -21   43    6 o   10.754   2.5970  103.340   49.140   95.836   52.712  153.142  135.799   9.4877   2.7209   12.021   4.4242 -2.533149 5.193917 
1 1 1  -21   43    7 o   6.3811   2.1527 -25.8950   40.162 -21.4028   41.931 -75.7825  139.735   4.6837   2.1256   8.0785   3.7442 -3.394847 4.305460 
1 1 1  -21   43    8 o   17.131   2.8370  349.603   99.035  475.465  134.488  200.500  146.380   21.076   3.2872   13.185   4.6248 7.890763 5.674064 
1 1 1  -21   43    9 o   9.0740   2.7410   13.014   89.515 -66.8367  127.114   91.568  126.078   7.7503   3.5846   10.398   4.1475 -2.647422 5.481931 
1 1 1  -21   43   10 o   22.779   2.3430  532.123  103.602   0.0000   0.0000  532.123  103.602  ?   ?    22.779   2.3430      ?      ? 
1 1 1  -21   43   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   43   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   43   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   44    1 o   38.321   0.9152  1445.88   67.628  1475.35  102.076  1422.82   90.285   38.635   1.3611   38.007   1.2238 0.6283302 1.830324 
1 1 1  -21   44    2 o   12.289   2.7199  171.361   66.525  179.037   75.263  143.941  142.248   12.776   3.0724   11.802   4.4892 0.9740191 5.439901 
1 1 1  -21   44    3 o   31.331   1.3676  1012.29   66.574  1030.92   74.977  942.868  144.731   32.369   1.1933   30.293   2.4612 2.075361 2.735230 
1 1 1  -21   44    4 o   6.7451   2.3158 -108.5693   53.700 -125.3897   57.465   7.3178  150.836   4.0155   1.9871   9.4747   4.1835 -5.459110 4.631502 
1 1 1  -21   44    5 o   30.904   1.4945  1045.85   62.206  1082.62   67.895  853.563  155.249   33.220   1.0529   28.589   2.7975 4.631184 2.989090 
1 1 1  -21   44    6 o   30.702   1.2865  932.675   60.660  925.036   67.564  964.423  137.743   30.678   1.1345   30.726   2.3094 -0.4806137E-01 2.573025 
1 1 1  -21   44    7 o   8.0241   3.6517 -39.9977  124.838   0.0000   0.0000 -39.9977  124.838  ?   ?    8.0241   3.6517      ?      ? 
1 1 1  -21   44    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   44    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   44   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   44   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   45    1 o   24.253   1.6592  588.009   78.116  588.009   78.116   0.0000   0.0000   24.253   1.6592  ?   ?       ?      ? 
1 1 1  -21   45    2 o   27.963   1.5081  777.337   81.858  777.337   81.858   0.0000   0.0000   27.963   1.5081  ?   ?       ?      ? 
1 1 1  -21   45    3 o   7.7761   3.1547   37.800   74.279   37.800   74.279   0.0000   0.0000   7.7761   3.1547  ?   ?       ?      ? 
1 1 1  -21   45    4 o   38.549   1.1835  1463.64   88.563  1463.64   88.563   0.0000   0.0000   38.549   1.1835  ?   ?       ?      ? 
1 1 1  -21   45    5 o   17.195   1.9024  298.005   63.500  298.005   63.500   0.0000   0.0000   17.195   1.9024  ?   ?       ?      ? 
1 1 1  -21   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   45    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   45    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   45   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   46    1 o   23.745   1.8177  568.945   83.786  568.945   83.786   0.0000   0.0000   23.745   1.8177  ?   ?       ?      ? 
1 1 1  -21   46    2 o   13.865   2.9853  212.348   77.973  212.348   77.973   0.0000   0.0000   13.865   2.9853  ?   ?       ?      ? 
1 1 1  -21   46    3 o   8.4130   3.2484   60.775   75.226   60.775   75.226   0.0000   0.0000   8.4130   3.2484  ?   ?       ?      ? 
1 1 1  -21   46    4 o   22.787   1.7057  521.154   75.451  521.154   75.451   0.0000   0.0000   22.787   1.7057  ?   ?       ?      ? 
1 1 1  -21   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -21   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20    0    1 o  187.054   1.8617 34068.36  675.691 34161.43  953.632 33974.52  957.522  187.312   2.6239  186.795   2.6419 -0.000000 0.000000 
1 1 1  -20    0    2 o   22.161   1.5113  491.004   63.429  533.277   90.310  449.850   89.107   23.156   2.0459   21.167   2.2249 -0.000000 0.000000 
1 1 1  -20    0    3 o   4.1888   2.0510 -70.5046   57.498 -96.5100   81.525 -44.7656   81.106   3.8699   2.7287   4.5076   3.0627 -0.000000 0.000000 
1 1 1  -20    0    4 o   43.545   0.9181  1857.26   76.982  2024.59  106.826  1676.49  111.033   45.612   1.2084   41.477   1.3825 -0.000000 0.000000 
1 1 1  -20    0    5 o  245.402   2.2033 58689.75  1048.76 58767.94  1463.06 58607.11  1504.14  245.584   3.0701  245.219   3.1610 -0.000000 0.000000 
1 1 1  -20    0    6 o   33.838   1.0476  1123.75   68.172  1220.72   95.041  1020.99   97.840   35.370   1.3891   32.305   1.5686 -0.000000 0.000000 
1 1 1  -20    0    7 o  107.141   1.2736 11165.99  264.680 11355.98  373.913 10975.18  374.716  108.058   1.7837  106.225   1.8184 -0.000000 0.000000 
1 1 1  -20    0    8 o   11.691   2.7795  171.500   56.392  180.431   80.816  163.025   78.726   12.082   3.9007   11.300   3.9608 -0.000000 0.000000 
1 1 1  -20    0    9 o   34.772   0.9717  1179.90   65.330  1180.77   93.725  1179.08   91.110   34.782   1.3932   34.762   1.3549 -0.000000 0.000000 
1 1 1  -20    0   10 o   34.191   0.9808  1140.66   64.812  1126.91   89.794  1155.62   93.642   33.978   1.3664   34.404   1.4075 -0.000000 0.000000 
1 1 1  -20    0   11 o   29.274   1.1656  847.901   65.123  947.786   90.407  740.179   93.887   31.124   1.5044   27.423   1.7809 -0.000000 0.000000 
1 1 1  -20    0   12 o   53.131   0.9175  2751.18   94.353  2888.70  132.286  2608.78  134.613   54.492   1.2521   51.771   1.3415 -0.000000 0.000000 
1 1 1  -20    0   13 o   56.558   0.9200  3097.59  100.546  2943.38  135.581  3286.04  149.876   55.001   1.2714   58.114   1.3302 -0.000000 0.000000 
1 1 1  -20    0   14 o   33.649   7.7953  935.314   86.462  928.810   86.722  2014.99  1117.35   30.814   1.4573   36.484   15.522 -0.000000 0.000000 
1 1 1  -20    0   15 o   88.510   3.8998  7436.59  258.865  7403.71  264.074  8245.45  1309.68   87.236   1.5605   89.784   7.6419 -0.000000 0.000000 
1 1 1  -20    0   16 o   13.865   7.2239   31.249   76.256   30.230   76.380  344.011  1338.29   5.8699   3.5731   21.859   13.999 -0.000000 0.000000 
1 1 1  -20    0   17 o   18.801   6.8660  324.526   82.965  326.655   83.079 -452.5613  1587.39   17.780   2.5616   19.822   13.491 -0.000000 0.000000 
1 1 1  -20    0   18 o   87.836   4.7663  7392.46  264.519  7361.02  268.319  8479.01  1577.32   86.943   1.5910   88.730   9.3990 -0.000000 0.000000 
1 1 1  -20    0   19 o   24.346   1.9165  588.132   89.282  588.132   89.282   0.0000   0.0000   24.346   1.9165   24.346   1.9165 -0.000000 0.000000 
1 1 1  -20    0   20 o   31.921   1.5292  998.739   94.258  998.739   94.258   0.0000   0.0000   31.921   1.5292   31.921   1.5292 -0.000000 0.000000 
1 1 1  -20    0   21 o   23.757   1.8446  560.457   83.887  560.457   83.887   0.0000   0.0000   23.757   1.8446   23.757   1.8446 -0.000000 0.000000 
1 1 1  -20    0   22 f   8.0721   4.1049   95.712   80.623   95.712   80.623   0.0000   0.0000   8.0721   4.1049   8.0721   4.1049 -0.000000 0.000000 
1 1 1  -20    0   23 o   11.478   4.1851  174.871   85.880  174.871   85.880   0.0000   0.0000   11.478   4.1851   11.478   4.1851 -0.000000 0.000000 
1 1 1  -20    0   24 o   59.484   1.3797  3459.51  159.122  3459.51  159.122   0.0000   0.0000   59.484   1.3797   59.484   1.3797 -0.000000 0.000000 
1 1 1  -20    0   25 o   42.056   1.4506  1734.59  118.108  1734.59  118.108   0.0000   0.0000   42.056   1.4506   42.056   1.4506 -0.000000 0.000000 
1 1 1  -20    0   26 o   15.749   3.5287  283.186   94.192  283.186   94.192   0.0000   0.0000   15.749   3.5287   15.749   3.5287 -0.000000 0.000000 
1 1 1  -20    0   27 o   17.314   2.6122  318.246   81.891  318.246   81.891   0.0000   0.0000   17.314   2.6122   17.314   2.6122 -0.000000 0.000000 
1 1 1  -20    0   28 o   24.807   1.8253  617.913   86.802  617.913   86.802   0.0000   0.0000   24.807   1.8253   24.807   1.8253 -0.000000 0.000000 
1 1 1  -20    1    1 o   64.865   0.6867  4085.82   86.456  4042.76  121.121  4130.54  123.446   64.516   0.9671   65.213   0.9752 -0.6963196 1.373427 
1 1 1  -20    1    2 o   38.653   0.6922  1451.60   51.909  1393.62   73.318  1509.86   73.502   37.879   0.9971   39.428   0.9604 -1.549103 1.384394 
1 1 1  -20    1    3 o   74.383   0.7151  5369.45  103.205  5223.52  143.279  5526.82  148.785   73.334   1.0065   75.432   1.0161 -2.098450 1.430211 
1 1 1  -20    1    4 o  136.334   1.0723 18069.54  283.769 18315.37  402.975 17827.73  399.667  137.255   1.5125  135.414   1.5204 1.840698 2.144594 
1 1 1  -20    1    5 o   31.299   1.1327  955.152   68.635  1007.24   95.481  899.456   98.730   32.187   1.5282   30.411   1.6725 1.776049 2.265497 
1 1 1  -20    1    6 o   54.878   0.6376  2924.34   67.898  2907.94   94.725  2941.69   97.376   54.720   0.8918   55.036   0.9115 -0.3158836 1.275156 
1 1 1  -20    1    7 o   29.784   0.7745  862.892   44.706  915.321   63.049  809.874   63.401   30.696   1.0581   28.872   1.1312 1.823986 1.548955 
1 1 1  -20    1    8 o   20.750   1.0180  416.827   40.919  386.081   55.879  452.375   60.085   19.928   1.4445   21.572   1.4349 -1.643419 2.036044 
1 1 1  -20    1    9 o   11.279   1.7842  132.387   40.942   54.695   59.700  201.372   56.255   8.1778   2.9448   14.380   2.0153 -6.202198 3.568352 
1 1 1  -20    1   10 o   33.095   0.7397  1064.56   47.493  1084.79   66.543  1043.56   67.807   33.416   1.0258   32.773   1.0658 0.6425095 1.479313 
1 1 1  -20    1   11 o   92.748   0.8256  8359.79  148.641  8453.28  210.670  8267.11  209.755   93.265   1.1636   92.232   1.1716 1.033493 1.651246 
1 1 1  -20    1   12 o   47.422   0.6387  2183.07   58.771  2228.53   84.552  2140.57   81.750   47.899   0.9094   46.945   0.8971 0.9543457 1.277376 
1 1 1  -20    1   13 o   8.4933   2.0622   64.258   41.198   72.169   57.444   55.881   59.119   8.7910   2.9000   8.1955   2.9326 0.5955153 4.124353 
1 1 1  -20    1   14 o   29.976   1.0598  870.515   61.530  946.517   90.441  805.024   83.954   31.189   1.4938   28.763   1.5036 2.425972 2.119544 
1 1 1  -20    1   15 o   64.908   0.9381  4097.45  118.182  4020.76  166.846  4174.67  167.423   64.297   1.3368   65.518   1.3164 -1.221100 1.876134 
1 1 1  -20    1   16 o   26.344   1.1888  672.429   60.560  715.869   90.608  637.356   81.416   27.107   1.7219   25.582   1.6395 1.525152 2.377620 
1 1 1  -20    1   17 o   60.559   0.9154  3567.73  107.598  3595.04  153.546  3541.37  150.823   60.786   1.3013   60.332   1.2878 0.4538994 1.830806 
1 1 1  -20    1   18 f   31.195   1.0919  947.373   65.911  1056.27   95.104  846.729   91.430   32.923   1.4881   29.468   1.5984 3.455013 2.183878 
1 1 1  -20    1   19 o   59.741   0.9465  3476.06  109.737  3538.90  157.326  3416.51  153.143   60.266   1.3448   59.216   1.3323 1.049152 1.893008 
1 1 1  -20    1   20 o   29.616   1.1462  854.761   65.807  907.262   96.071  808.353   90.325   30.470   1.6242   28.762   1.6178 1.708063 2.292460 
1 1 1  -20    1   21 o   27.573   1.1817  744.608   63.215  731.972   90.372  756.714   88.456   27.339   1.7029   27.806   1.6388 -0.4673805 2.363351 
1 1 1  -20    1   22 o   19.869   1.5696  390.430   60.390  357.015   84.936  424.594   85.882   18.995   2.3035   20.743   2.1329 -1.748169 3.139281 
1 1 1  -20    1   23 o   23.693   1.3519  554.503   62.176  546.922   87.796  562.131   88.065   23.528   1.9223   23.858   1.9015 -0.3294144 2.703886 
1 1 1  -20    1   24 o   24.439   1.4703  602.162   68.679  493.237   98.481  705.295   95.827   22.196   2.2857   26.683   1.8501 -4.486820 2.940598 
1 1 1  -20    1   25 o   33.281   1.1372  1095.53   73.306  1044.87  105.540  1142.76  101.896   32.513   1.6722   34.049   1.5417 -1.535107 2.274436 
1 1 1  -20    1   26 f   26.034   1.4619  680.905   73.811  711.607  104.221  650.009  104.550   26.645   2.0150   25.423   2.1185 1.221680 2.923719 
1 1 1  -20    1   27 o   14.769   2.3899  234.553   65.874  283.415  106.060  203.866   84.051   15.937   3.5220   13.601   3.2313 2.336077 4.779717 
1 1 1  -20    1   28 o   26.685   1.2465  717.434   64.155  622.738   90.226  814.271   91.240   24.841   1.8711   28.529   1.6476 -3.687140 2.493052 
1 1 1  -20    2    1 o   71.981   0.7004  5033.09   97.812  5014.79  140.483  5050.30  136.269   71.853   1.0072   72.109   0.9735 -0.2557297 1.400779 
1 1 1  -20    2    2 o   56.612   0.6540  3111.08   71.853  3175.79  103.160  3050.10  100.140   57.183   0.9293   56.041   0.9205 1.142677 1.308071 
1 1 1  -20    2    3 o  111.577   0.9377 12096.20  203.005 12184.98  291.729 12012.85  282.671  111.972   1.3422  111.182   1.3097 0.7902145 1.875317 
1 1 1  -20    2    4 o  106.587   0.9116 11040.09  188.620 11066.63  267.032 11013.67  266.467  106.715   1.2891  106.459   1.2894 0.2556534 1.823257 
1 1 1  -20    2    5 o   78.162   0.7339  5932.99  111.338  6022.92  158.946  5846.36  156.006   78.743   1.0399   77.581   1.0359 1.162544 1.467792 
1 1 1  -20    2    6 o   29.452   0.7949  842.420   45.436  858.129   64.993  827.403   63.543   29.720   1.1265   29.183   1.1217 0.5368156 1.589730 
1 1 1  -20    2    7 o   43.914   0.6571  1874.62   55.964  1955.80   78.776  1791.91   79.519   44.876   0.9043   42.953   0.9537 1.922882 1.314286 
1 1 1  -20    2    8 o   61.576   0.6575  3676.41   78.526  3845.62  113.877  3523.00  108.429   62.924   0.9323   60.227   0.9274 2.697060 1.315038 
1 1 1  -20    2    9 o   28.391   0.8025  783.607   44.203  766.425   63.125  800.137   61.917   28.085   1.1579   28.697   1.1115 -0.6122818 1.605008 
1 1 1  -20    2   10 o   70.974   0.6988  4893.56   96.274  4866.38  136.523  4920.44  135.785   70.777   0.9937   71.170   0.9829 -0.3926697 1.397646 
1 1 1  -20    2   11 o   9.0690   1.7544   63.006   41.722 -41.6501   59.882  161.740   58.163   5.4776   2.5067   12.660   2.4552 -7.182761 3.508811 
1 1 1  -20    2   12 o   84.658   0.7844  6964.17  128.913  6954.13  182.466  6974.17  182.155   84.597   1.1111   84.719   1.1076 -0.1221390 1.568892 
1 1 1  -20    2   13 o   32.322   0.9154  1013.93   55.186  1009.09   68.980  1022.56   91.981   32.223   1.1028   32.422   1.4615 -0.1986008 1.830872 
1 1 1  -20    2   14 o   73.755   0.9905  5287.81  141.746  5402.43  204.381  5181.59  196.754   74.523   1.4128   72.987   1.3887 1.536293 1.981058 
1 1 1  -20    2   15 o   75.109   1.0182  5489.07  148.406  5464.69  212.518  5512.28  207.333   74.943   1.4608   75.274   1.4189 -0.3308029 2.036499 
1 1 1  -20    2   16 o   21.869   1.3882  461.901   58.534  544.801   87.297  394.184   78.898   23.638   1.9025   20.100   2.0221 3.537197 2.776411 
1 1 1  -20    2   17 o   14.708   2.1858  222.012   60.164  206.459   89.648  234.757   81.154   14.193   3.3140   15.223   2.8511 -1.029417 4.371668 
1 1 1  -20    2   18 o   25.683   1.2444  647.119   61.710  584.332   88.615  706.237   85.987   24.458   1.8664   26.908   1.6462 -2.449518 2.488703 
1 1 1  -20    2   19 o   80.535   1.0847  6326.90  169.567  6350.76  241.522  6303.71  238.124   80.682   1.5421   80.387   1.5260 0.2951508 2.169497 
1 1 1  -20    2   20 o   36.285   1.0086  1281.28   70.889  1333.58  104.417  1236.56   96.549   36.966   1.4551   35.604   1.3970 1.362514 2.017157 
1 1 1  -20    2   21 o   22.944   1.4046  517.922   62.195  449.187   86.959  589.907   88.991   21.367   2.0966   24.520   1.8696 -3.153145 2.809114 
1 1 1  -20    2   22 o   44.717   0.9401  1951.19   81.540  2008.98  118.202  1898.72  112.629   45.345   1.3428   44.089   1.3160 1.256157 1.880183 
1 1 1  -20    2   23 f   24.627   1.3369  598.140   63.852  635.054   91.928  563.729   88.756   25.365   1.8670   23.888   1.9140 1.476990 2.673810 
1 1 1  -20    2   24 o   41.015   0.9949  1652.37   79.171  1586.34  111.471  1719.58  112.465   40.180   1.4292   41.849   1.3844 -1.669212 1.989752 
1 1 1  -20    2   25 o   28.514   1.2715  806.352   70.337  779.081   99.816  833.249   99.131   28.023   1.8350   29.005   1.7606 -0.9828110 2.543000 
1 1 1  -20    2   26 o   8.7580   2.5014   46.748   66.060   26.411   91.431   68.958   95.550   8.1793   3.4263   9.3368   3.6454 -1.157451 5.002834 
1 1 1  -20    2   27 o   7.7652   2.3577   13.325   62.976  -4.2576  101.656   24.276   80.225   7.8492   3.4514   7.6812   3.2129 0.1679440 4.715395 
1 1 1  -20    2   28 o   8.7165   2.2755   49.821   57.217 -26.0678   78.939  133.824   83.053   6.4968   2.9355   10.936   3.4777 -4.439447 4.551013 
1 1 1  -20    3    1 o  124.887   1.0142 15158.26  245.839 14974.91  344.273 15349.03  351.168  124.117   1.4289  125.657   1.4397 -1.539406 2.028412 
1 1 1  -20    3    2 f   65.976   0.8320  4165.65   99.753  4408.61  177.544  4053.58  120.585   67.350   1.3580   64.603   0.9616 2.746834 1.663967 
1 1 1  -20    3    3 o   50.233   0.6425  2450.84   62.639  2464.54   87.992  2436.76   89.190   50.376   0.8998   50.090   0.9173 0.2852707 1.284942 
1 1 1  -20    3    4 o   47.418   0.6422  2184.29   59.093  2233.94   83.286  2133.96   83.857   47.961   0.8946   46.875   0.9216 1.086365 1.284365 
1 1 1  -20    3    5 o   79.499   0.7387  6139.26  114.004  6157.29  160.959  6121.11  161.493   79.616   1.0415   79.382   1.0480 0.2346420 1.477497 
1 1 1  -20    3    6 o   67.479   0.6757  4422.71   88.501  4435.59  124.429  4409.53  125.903   67.579   0.9485   67.379   0.9626 0.1995239 1.351398 
1 1 1  -20    3    7 o   47.890   0.6295  2227.40   58.517  2216.99   82.863  2237.76   82.649   47.778   0.8934   48.002   0.8870 -0.2234535 1.258956 
1 1 1  -20    3    8 o   19.191   1.1439  358.790   42.466  395.685   60.349  322.601   59.769   20.172   1.5412   18.211   1.6908 1.961412 2.287780 
1 1 1  -20    3    9 o   61.564   0.6561  3680.63   78.402  3619.70  110.061  3743.40  111.711   61.047   0.9288   62.081   0.9270 -1.034401 1.312211 
1 1 1  -20    3   10 f   37.972   0.6739  1400.95   49.659  1421.07   69.741  1380.26   70.728   38.249   0.9393   37.695   0.9666 0.5542107 1.347810 
1 1 1  -20    3   11 o   39.554   0.6673  1519.00   51.221  1567.62   73.352  1472.73   71.556   40.172   0.9406   38.937   0.9467 1.235085 1.334566 
1 1 1  -20    3   12 o   69.441   0.6987  4684.31   94.186  4710.30  133.744  4658.74  132.660   69.632   0.9895   69.250   0.9869 0.3819962 1.397473 
1 1 1  -20    3   13 o   79.578   0.7480  6152.18  115.531  6050.30  161.813  6258.11  165.004   78.906   1.0564   80.250   1.0592 -1.343414 1.495984 
1 1 1  -20    3   14 o  105.620   1.2354 10861.50  253.230 10988.23  363.066 10741.46  353.372  106.216   1.7609  105.023   1.7333 1.193802 2.470861 
1 1 1  -20    3   15 o   61.147   0.9234  3639.46  109.503  3495.43  155.938  3779.58  153.807   59.949   1.3400   62.345   1.2709 -2.395576 1.846828 
1 1 1  -20    3   16 o   51.676   0.9023  2595.53   90.204  2617.93  133.468  2576.70  122.386   51.877   1.3254   51.475   1.2248 0.4016762 1.804653 
1 1 1  -20    3   17 o   10.640   2.4402  108.719   57.287  101.515   88.663  113.882   75.057   10.545   3.6044   10.735   3.2903 -0.1896086 4.880341 
1 1 1  -20    3   18 o   54.375   0.9136  2877.03   96.358  2914.48  139.475  2842.84  133.276   54.710   1.3133   54.039   1.2705 0.6710815 1.827284 
1 1 1  -20    3   19 o   48.038   0.9184  2248.69   85.590  2228.99  122.962  2267.22  119.211   47.831   1.3243   48.246   1.2729 -0.4154434 1.836874 
1 1 1  -20    3   20 o   45.436   0.9129  2009.28   80.363  2061.46  117.905  1964.01  109.825   45.981   1.3209   44.891   1.2603 1.090828 1.825732 
1 1 1  -20    3   21 o   18.119   1.8111  340.695   59.340  238.725   85.812  434.141   82.147   15.221   3.0110   21.017   2.0136 -5.795953 3.622244 
1 1 1  -20    3   22 o   18.131   1.7424  327.792   60.896  311.084   90.184  341.795   82.560   17.677   2.6282   18.586   2.2884 -0.9083958 3.484807 
1 1 1  -20    3   23 o   22.921   1.4549  516.144   64.462  575.989   96.455  467.842   86.656   24.111   2.0608   21.731   2.0542 2.379705 2.909775 
1 1 1  -20    3   24 o   28.166   1.2631  790.876   68.465  723.517  100.766  848.639   93.312   27.001   1.9225   29.331   1.6389 -2.329922 2.526274 
1 1 1  -20    3   25 o   40.248   1.0445  1596.83   81.486  1636.83  113.163  1553.77  117.434   40.791   1.4291   39.706   1.5236 1.084721 2.088981 
1 1 1  -20    3   26 o   17.346   1.8089  294.273   59.356  370.446   98.429  250.745   74.406   18.995   2.6695   15.698   2.4418 3.297033 3.617831 
1 1 1  -20    3   27 o   15.406   2.2126  256.877   62.737  250.294  103.437  260.708   78.907   14.905   3.6127   15.907   2.5554 -1.001842 4.425119 
1 1 1  -20    3   28 o   8.3345   2.3549   51.800   57.594   56.430   79.339   46.643   83.740   8.4053   3.3098   8.2638   3.3506 0.1415262 4.709725 
1 1 1  -20    4    1 o  106.733   0.9127 11069.70  189.055 11114.24  270.743 11027.31  264.110  106.941   1.3042  106.524   1.2772 0.4162369 1.825456 
1 1 1  -20    4    2 o  122.824   0.9972 14663.53  237.740 14701.37  337.734 14626.37  334.716  122.981   1.4147  122.668   1.4057 0.3129044 1.994324 
1 1 1  -20    4    3 o   22.870   0.9599  507.951   42.595  528.447   61.166  488.652   59.353   23.318   1.3513   22.422   1.3636 0.8954258 1.919767 
1 1 1  -20    4    4 o   82.431   0.7530  6598.93  120.471  6483.87  168.835  6718.28  171.952   81.699   1.0646   83.163   1.0652 -1.463623 1.505955 
1 1 1  -20    4    5 o   37.945   0.6788  1398.87   49.980  1370.94   71.093  1426.18   70.280   37.570   0.9748   38.320   0.9448 -0.7502136 1.357541 
1 1 1  -20    4    6 o   93.754   0.8234  8540.10  149.846  8450.20  211.667  8630.42  212.161   93.259   1.1692   94.249   1.1596 -0.9900284 1.646766 
1 1 1  -20    4    7 o   44.821   0.6443  1951.05   56.056  1944.16   78.953  1958.05   79.600   44.741   0.9091   44.901   0.9133 -0.1594009 1.288580 
1 1 1  -20    4    8 o   74.189   0.7147  5344.15  102.901  5240.77  143.591  5453.30  147.538   73.452   1.0071   74.926   1.0144 -1.474113 1.429392 
1 1 1  -20    4    9 o   59.606   0.6482  3449.89   74.991  3530.15  107.029  3372.49  105.105   60.287   0.9146   58.925   0.9189 1.361805 1.296429 
1 1 1  -20    4   10 f   91.693   0.8224  8167.74  146.352  8005.83  204.839  8336.59  209.174   90.765   1.1626   92.621   1.1634 -1.855927 1.644738 
1 1 1  -20    4   11 o   21.384   1.0166  444.864   42.183  436.620   60.147  452.845   59.177   21.189   1.4623   21.580   1.4127 -0.3915329 2.033225 
1 1 1  -20    4   12 o   34.430   0.7248  1150.24   48.396  1082.57   67.240  1222.98   69.713   33.380   1.0377   35.480   1.0122 -2.099609 1.449603 
1 1 1  -20    4   13 o   69.774   0.7051  4729.47   95.492  4677.23  133.718  4783.83  136.416   69.382   0.9928   70.167   1.0015 -0.7854996 1.410250 
1 1 1  -20    4   14 o   58.514   0.9095  3320.29  103.059  3454.84  152.086  3206.05  140.141   59.604   1.3145   57.423   1.2572 2.181450 1.818911 
1 1 1  -20    4   15 o   10.265   2.1705   93.716   57.666 -40.7221   91.332  182.840   74.363   7.1281   3.1944   13.402   2.9394 -6.273483 4.341004 
1 1 1  -20    4   16 o   15.006   2.0383  224.460   57.577  331.683   85.527  135.593   77.863   18.418   2.3922   11.594   3.3010 6.824689 4.076662 
1 1 1  -20    4   17 o   16.702   1.9168  288.210   58.325  227.892   89.167  333.317   77.108   14.936   3.1733   18.468   2.1509 -3.531395 3.833543 
1 1 1  -20    4   18 o   11.063   2.4613  120.268   58.488  117.985   90.751  121.890   76.494   11.095   3.6443   11.031   3.3091 0.6448269E-01 4.922524 
1 1 1  -20    4   19 o   90.672   1.1738  8024.85  206.555  7864.65  288.595  8193.10  295.762   89.746   1.6566   91.598   1.6634 -1.852539 2.347562 
1 1 1  -20    4   20 o   35.438   0.9741  1227.02   66.850  1190.93   97.075  1259.58   92.194   34.934   1.4315   35.942   1.3214 -1.007183 1.948161 
1 1 1  -20    4   21 o   30.458   1.0321  908.114   60.904  960.870   85.420  853.561   86.862   31.367   1.4029   29.549   1.5144 1.818388 2.064295 
1 1 1  -20    4   22 o   18.264   1.7480  330.512   61.804  340.194   91.315  322.327   83.956   18.498   2.5430   18.029   2.3989 0.4687290 3.495941 
1 1 1  -20    4   23 o   56.907   0.9512  3165.79  104.868  3254.73  154.084  3089.04  143.134   57.639   1.3771   56.176   1.3126 1.462421 1.902467 
1 1 1  -20    4   24 o   14.445   2.3722  224.135   65.537  188.673   91.772  261.040   93.622   13.213   3.5162   15.676   3.1853 -2.462573 4.744392 
1 1 1  -20    4   25 o   13.913   2.4078  204.708   65.871  286.554   98.701  138.979   88.450   16.386   3.2178   11.439   3.5828 4.946949 4.815629 
1 1 1  -20    4   26 o   16.783   1.9899  265.895   60.269  449.125  103.511  171.919   74.130   20.964   2.5436   12.602   3.0608 8.361795 3.979719 
1 1 1  -20    4   27 o   10.725   2.4649  127.538   60.905   70.752  103.004  158.065   75.521   9.4715   3.7580   11.978   3.1907 -2.507017 4.929841 
1 1 1  -20    4   28 o   12.469   2.3629  176.377   58.368  179.291   81.841  173.361   83.268   12.588   3.3066   12.351   3.3764 0.2364368 4.725827 
1 1 1  -20    5    1 o   51.348   0.6503  2559.09   64.795  2633.29   93.000  2489.09   90.326   52.070   0.9201   50.625   0.9191 1.445694 1.300532 
1 1 1  -20    5    2 o   51.527   0.6559  2578.82   65.598  2562.35   93.197  2594.99   92.349   51.364   0.9347   51.691   0.9204 -0.3265648 1.311765 
1 1 1  -20    5    3 o   88.419   0.7895  7594.83  135.500  7567.82  191.002  7622.20  192.257   88.260   1.1148   88.577   1.1181 -0.3162994 1.578946 
1 1 1  -20    5    4 o   71.931   0.7010  5025.61   97.881  5013.88  138.434  5037.33  138.416   71.847   0.9926   72.015   0.9901 -0.1679230 1.402002 
1 1 1  -20    5    5 o  117.476   0.9811 13414.32  223.707 13398.73  318.131 13429.58  314.637  117.408   1.3959  117.545   1.3789 -0.1371613 1.962112 
1 1 1  -20    5    6 o   98.292   0.8644  9387.38  164.921  9439.77  234.240  9335.87  232.240   98.563   1.2243   98.020   1.2206 0.5436249 1.728763 
1 1 1  -20    5    7 o   7.2649   1.8808   21.592   39.980   81.880   56.549 -38.6557   56.531   9.1907   2.8625   5.3391   2.4404 3.851602 3.761569 
1 1 1  -20    5    8 o   49.893   0.6267  2417.52   60.697  2435.09   86.260  2400.29   85.422   50.073   0.8874   49.714   0.8852 0.3590736 1.253437 
1 1 1  -20    5    9 o   49.605   0.6310  2390.08   60.745  2322.70   85.717  2458.07   86.098   48.902   0.9030   50.308   0.8816 -1.405678 1.262005 
1 1 1  -20    5   10 o   43.735   0.6467  1856.85   54.876  1891.51   79.083  1824.67   76.209   44.128   0.9232   43.342   0.9058 0.7860031 1.293363 
1 1 1  -20    5   11 o  109.232   0.9249 11598.53  196.104 11665.22  278.769 11533.21  275.918  109.542   1.3110  108.922   1.3050 0.6207886 1.849766 
1 1 1  -20    5   12 o   35.028   0.7192  1192.68   48.873  1233.20   68.851  1151.53   69.384   35.628   0.9955   34.427   1.0382 1.201370 1.438405 
1 1 1  -20    5   13 o   96.688   0.8520  9087.91  159.908  9072.85  224.700  9103.37  227.616   96.607   1.1982   96.768   1.2117 -0.1606445 1.704097 
1 1 1  -20    5   14 o   90.241   1.1261  7926.27  197.232  7754.18  278.125  8100.37  279.737   89.254   1.6053   91.229   1.5796 -1.974770 2.252131 
1 1 1  -20    5   15 o   53.860   0.9150  2825.25   95.421  2755.39  138.959  2887.58  131.262   53.224   1.3450   54.495   1.2408 -1.270363 1.829922 
1 1 1  -20    5   16 o   27.100   1.2229  716.746   63.575  707.649   97.343  723.512   83.952   26.941   1.8613   27.258   1.5866 -0.3169994 2.445791 
1 1 1  -20    5   17 o   40.327   0.9245  1585.09   72.158  1546.03  105.466  1619.46   98.939   39.854   1.3632   40.799   1.2493 -0.9448280 1.849070 
1 1 1  -20    5   18 o   24.449   1.2712  568.552   59.536  703.459   93.097  475.205   77.441   26.840   1.7869   22.058   1.8086 4.781662 2.542433 
1 1 1  -20    5   19 o   33.165   1.0379  1091.59   65.620  930.458   97.518  1224.92   88.707   30.871   1.6273   35.460   1.2887 -4.588434 2.075793 
1 1 1  -20    5   20 o   45.785   0.9150  2038.10   81.082  2113.83  120.154  1974.77  109.870   46.558   1.3295   45.011   1.2575 1.546265 1.829951 
1 1 1  -20    5   21 o   41.610   0.9227  1686.96   74.389  1730.36  109.137  1649.29  101.664   42.104   1.3353   41.116   1.2738 0.9877663 1.845404 
1 1 1  -20    5   22 o   36.162   0.9600  1281.69   67.126  1231.17   98.163  1326.07   91.999   35.478   1.4254   36.846   1.2862 -1.368404 1.919910 
1 1 1  -20    5   23 o   17.052   1.8879  291.797   59.749  385.558   90.088  218.165   79.834   19.659   2.3607   14.445   2.9469 5.213763 3.775897 
1 1 1  -20    5   24 o   21.605   1.6015  472.102   66.414  418.289   97.417  518.833   90.782   20.382   2.4622   22.827   2.0487 -2.444668 3.203049 
1 1 1  -20    5   25 o   26.663   1.3039  702.924   67.327  750.643   99.482  662.597   91.454   27.488   1.8644   25.838   1.8234 1.649347 2.607814 
1 1 1  -20    5   26 o   12.690   2.3985  185.244   60.718  130.907  102.249  214.841   75.463   11.178   3.8684   14.201   2.8367 -3.023637 4.797020 
1 1 1  -20    5   27 o   20.862   1.6186  423.494   64.035  555.607  104.579  344.251   80.994   23.338   2.3084   18.385   2.2694 4.952719 3.237128 
1 1 1  -20    5   28 o   18.789   1.8505  359.018   65.917  422.430  108.108  321.493   83.165   19.976   2.7880   17.602   2.4340 2.374336 3.700953 
1 1 1  -20    6    1 o   60.589   0.6566  3564.38   77.203  3528.85  107.538  3602.16  110.903   60.278   0.9190   60.900   0.9381 -0.6221008 1.313288 
1 1 1  -20    6    2 o  101.418   0.8809  9992.09  173.396 10179.66  247.667  9811.76  242.842  102.351   1.2466  100.485   1.2450 1.866386 1.761770 
1 1 1  -20    6    3 o   65.495   0.6745  4164.68   85.736  4061.97  119.971  4271.89  122.570   64.670   0.9557   66.320   0.9521 -1.650208 1.348991 
1 1 1  -20    6    4 o   63.519   0.6657  3917.62   82.073  3828.85  115.097  4009.46  117.067   62.787   0.9443   64.251   0.9386 -1.464062 1.331455 
1 1 1  -20    6    5 o   38.668   0.6738  1452.68   50.469  1578.03   72.020  1331.73   70.745   40.309   0.9204   37.028   0.9842 3.280735 1.347558 
1 1 1  -20    6    6 o   52.200   0.6386  2647.17   64.683  2613.53   92.485  2679.38   90.499   51.875   0.9184   52.525   0.8876 -0.6505013 1.277237 
1 1 1  -20    6    7 o  110.017   0.9293 11763.96  198.444 11784.27  279.358 11743.27  281.944  110.114   1.3069  109.921   1.3214 0.1933212 1.858508 
1 1 1  -20    6    8 o   62.541   0.6643  3797.37   80.608  3638.95  112.823  3962.55  115.209   61.208   0.9496   63.873   0.9292 -2.664555 1.328554 
1 1 1  -20    6    9 o   26.015   0.8870  655.059   44.525  681.873   67.287  634.174   59.385   26.486   1.3088   25.545   1.1976 0.9400482 1.773980 
1 1 1  -20    6   10 o   44.300   0.6373  1904.19   54.749  1948.50   79.547  1864.31   75.466   44.788   0.9149   43.811   0.8874 0.9772873 1.274583 
1 1 1  -20    6   11 o   42.577   0.6579  1762.20   54.324  1721.28   77.906  1800.93   75.788   42.095   0.9534   43.059   0.9067 -0.9646530 1.315722 
1 1 1  -20    6   12 o   99.692   0.8748  9660.59  169.282  9647.98  239.855  9673.12  238.949   99.627   1.2402   99.758   1.2339 -0.1304703 1.749514 
1 1 1  -20    6   13 o   12.448   1.7562  153.122   41.546  109.180   56.306  205.636   61.554   10.379   2.7505   14.517   2.1843 -4.137812 3.512302 
1 1 1  -20    6   14 o   54.363   0.9050  2874.30   94.919  2867.38  142.253  2879.87  127.436   54.298   1.3496   54.427   1.2062 -0.1292305 1.810065 
1 1 1  -20    6   15 o   45.730   0.9135  2030.21   80.304  2059.03  122.812  2008.69  106.139   46.007   1.3752   45.453   1.2029 0.5537796 1.827057 
1 1 1  -20    6   16 o   13.430   2.0603  171.682   54.692  286.714   84.460   88.614   71.772   17.115   2.5422   9.7457   3.2429 7.368985 4.120567 
1 1 1  -20    6   17 o   30.759   1.1081  921.662   65.381  922.541  100.496  921.016   86.092   30.762   1.6829   30.755   1.4421 0.7482529E-02 2.216261 
1 1 1  -20    6   18 o   79.414   1.0693  6149.83  164.736  6111.18  236.887  6186.03  229.245   79.166   1.5415   79.663   1.4824 -0.4971924 2.138645 
1 1 1  -20    6   19 o   21.023   1.4808  447.390   58.250  365.480   89.984  506.472   76.424   19.279   2.4044   22.766   1.7293 -3.487120 2.961692 
1 1 1  -20    6   20 o   11.570   2.3701  135.990   55.326  139.227   89.029  133.954   70.617   11.730   3.5815   11.411   3.1052 0.3188791 4.740176 
1 1 1  -20    6   21 o   12.720   2.2676  167.066   55.121  174.144   87.500  162.409   70.974   12.923   3.4307   12.518   2.9662 0.4052582 4.535233 
1 1 1  -20    6   22 o   8.8596   2.3589   59.722   56.167   31.295   84.201   82.512   75.392   8.2369   3.3523   9.4823   3.3195 -1.245350 4.717743 
1 1 1  -20    6   23 o   36.310   1.0153  1298.05   70.510  1261.99  108.627  1324.30   92.691   35.838   1.5615   36.781   1.2982 -0.9434090 2.030632 
1 1 1  -20    6   24 o   17.519   1.9354  310.481   65.463  323.630   98.560  300.102   87.568   17.817   2.8497   17.221   2.6195 0.5956802 3.870755 
1 1 1  -20    6   25 o   26.345   1.2230  720.487   58.513  579.308   96.004  803.928   73.806   24.084   2.0535   28.607   1.3291 -4.522730 2.446100 
1 1 1  -20    6   26 o   26.491   1.3129  708.760   64.341  672.220  107.106  729.392   80.481   25.831   2.1360   27.151   1.5270 -1.320034 2.625708 
1 1 1  -20    6   27 o   7.2942   2.2429  -0.5363   60.114 -59.8211  101.130   31.858   74.755   6.9204   3.1996   7.6680   3.1440 -0.7476764 4.485783 
1 1 1  -20    6   28 o   10.054   2.5640  106.472   65.162   71.198  103.330  129.761   83.961   9.3375   3.7443   10.770   3.5038 -1.432990 5.127991 
1 1 1  -20    7    1 o   55.591   0.6395  3001.22   68.973  2995.64   95.953  3007.18   99.213   55.538   0.8900   55.644   0.9185 -0.1057510 1.278981 
1 1 1  -20    7    2 o   74.573   0.7135  5401.50  103.284  5376.16  145.190  5427.47  146.957   74.396   1.0054   74.750   1.0128 -0.3537979 1.427051 
1 1 1  -20    7    3 o  128.744   1.0286 16113.50  257.060 16133.98  364.371 16093.20  362.710  128.826   1.4571  128.663   1.4522 0.1622009 2.057189 
1 1 1  -20    7    4 o   68.252   0.6910  4523.66   91.542  4461.07  128.276  4588.61  130.677   67.771   0.9751   68.733   0.9794 -0.9617310 1.382038 
1 1 1  -20    7    5 o   74.982   0.7197  5461.30  104.760  5456.69  147.712  5465.96  148.599   74.951   1.0153   75.014   1.0205 -0.6330109E-01 1.439491 
1 1 1  -20    7    6 o   53.319   0.8102  2713.49   78.429  2629.12   94.638  2898.50  140.137   52.028   0.9370   54.610   1.3219 -2.581966 1.620374 
1 1 1  -20    7    7 o   22.862   0.9949  506.848   44.099  535.050   64.317  481.827   60.582   23.460   1.4123   22.263   1.4018 1.197136 1.989893 
1 1 1  -20    7    8 f  110.442   0.9268 11855.33  198.670 11876.51  282.873 11834.72  279.088  110.538   1.3183  110.345   1.3029 0.1928329 1.853524 
1 1 1  -20    7    9 o  138.750   1.0952 18725.46  294.988 18699.90  417.613 18750.91  416.740  138.655   1.5516  138.845   1.5462 -0.1900177 2.190481 
1 1 1  -20    7   10 o   48.145   0.6354  2243.00   59.267  2390.76   87.252  2116.42   80.756   49.612   0.9060   46.679   0.8912 2.932648 1.270874 
1 1 1  -20    7   11 o   56.838   0.6461  3135.26   71.241  3215.45  102.902  3061.45   98.728   57.535   0.9214   56.141   0.9059 1.393936 1.292126 
1 1 1  -20    7   12 o   21.575   1.4240  473.610   53.191  501.289   63.459  408.226   97.533   22.703   1.4400   20.447   2.4573 2.255558 2.848096 
1 1 1  -20    7   13 o   54.036   0.6551  2835.78   68.708  2890.97   98.347  2783.15   96.031   54.550   0.9288   53.523   0.9243 1.026581 1.310300 
1 1 1  -20    7   14 o   64.939   0.9441  4104.97  118.820  4028.06  172.117  4174.99  164.233   64.353   1.3778   65.525   1.2912 -1.171600 1.888256 
1 1 1  -20    7   15 o   99.918   1.2382  9725.98  240.135  9584.38  339.003  9868.59  340.205   99.186   1.7607  100.650   1.7413 -1.463982 2.476302 
1 1 1  -20    7   16 f   52.879   0.9068  2729.82   92.435  2628.28  137.687  2813.14  124.718   51.973   1.3647   53.785   1.1945 -1.812325 1.813684 
1 1 1  -20    7   17 o   39.383   0.9662  1522.79   72.659  1432.11  111.477  1589.77   95.804   38.343   1.4977   40.423   1.2209 -2.079796 1.932305 
1 1 1  -20    7   18 o   13.983   2.1920  205.471   57.439  163.307   94.442  230.223   72.360   12.655   3.6458   15.311   2.4346 -2.655668 4.383937 
1 1 1  -20    7   19 o   9.9820   2.4002   76.844   58.380  149.727   90.326   24.555   76.507   12.135   3.5856   7.8288   3.1919 4.306372 4.800500 
1 1 1  -20    7   20 o   36.441   0.9636  1304.86   66.835  1245.62  104.078  1346.43   87.188   35.712   1.5013   37.170   1.2084 -1.457859 1.927218 
1 1 1  -20    7   21 o   18.931   1.7937  386.644   59.015  247.255   89.937  492.043   78.206   15.465   3.1038   22.398   1.7987 -6.933359 3.587373 
1 1 1  -20    7   22 o   24.845   1.2494  598.106   58.901  646.159   95.318  568.422   74.916   25.614   1.9170   24.076   1.6029 1.537495 2.498892 
1 1 1  -20    7   23 o   17.103   1.7714  294.463   56.277  379.046   83.479  223.997   76.195   19.519   2.2032   14.686   2.7743 4.832785 3.542714 
1 1 1  -20    7   24 o   28.691   1.2581  811.555   69.825  851.285  104.048  779.003   94.181   29.312   1.8286   28.070   1.7284 1.241465 2.516223 
1 1 1  -20    7   25 o   46.494   0.8821  2132.26   76.117  2081.22  127.088  2160.81   95.051   45.982   1.4238   47.006   1.0417 -1.023891 1.764193 
1 1 1  -20    7   26 o   20.003   1.7378  425.934   62.912  348.799  103.983  470.471   79.014   18.309   2.9258   21.697   1.8760 -3.388729 3.475552 
1 1 1  -20    7   27 o   8.9572   2.4374   69.158   58.818   49.996   99.196   79.547   73.044   8.8652   3.6268   9.0492   3.2574 -0.1839685 4.874900 
1 1 1  -20    7   28 o   15.472   2.2855  268.423   65.601  266.105  101.970  270.060   85.686   15.228   3.5201   15.717   2.9159 -0.4893389 4.570911 
1 1 1  -20    8    1 o   21.934   1.0396  469.871   44.053  510.682   61.436  426.677   63.204   22.921   1.3808   20.947   1.5544 1.974056 2.079107 
1 1 1  -20    8    2 o   63.828   0.6695  3957.25   82.889  3963.58  114.958  3950.41  119.625   63.882   0.9270   63.774   0.9663 0.1080360 1.339076 
1 1 1  -20    8    3 o   98.034   0.8556  9338.34  162.821  9267.02  229.825  9410.20  230.706   97.658   1.2123   98.410   1.2077 -0.7519379 1.711227 
1 1 1  -20    8    4 o   22.253   0.9882  482.142   42.619  500.614   59.380  462.517   61.206   22.695   1.3479   21.812   1.4456 0.8829327 1.976444 
1 1 1  -20    8    5 o   58.595   0.8051  3361.16   86.254  3259.42  148.471  3413.00  105.970   57.911   1.3207   59.280   0.9209 -1.369305 1.610103 
1 1 1  -20    8    6 o   17.726   1.6195  357.217   46.291  198.858   76.962  446.979   57.943   14.009   2.9246   21.443   1.3920 -7.434385 3.238956 
1 1 1  -20    8    7 o   52.171   0.6285  2643.58   63.639  2636.41   90.946  2650.47   89.081   52.101   0.8992   52.240   0.8784 -0.1394806 1.257094 
1 1 1  -20    8    8 o   60.057   0.7872  3474.84   86.651  3593.95  150.856  3416.19  105.855   60.809   1.2780   59.306   0.9195 1.502899 1.574411 
1 1 1  -20    8    9 o   20.050   1.1446  403.612   43.134  308.578   63.857  483.356   58.495   17.803   1.8478   22.297   1.3515 -4.494577 2.289292 
1 1 1  -20    8   10 o   13.023   1.6998  180.816   40.912  278.575   57.381   79.732   58.349   16.917   1.7473   9.1292   2.9162 7.788157 3.399608 
1 1 1  -20    8   11 o   23.379   0.9268  531.663   42.002  498.075   59.223  565.654   59.576   22.634   1.3479   24.123   1.2723 -1.488899 1.853519 
1 1 1  -20    8   12 o   49.253   0.6369  2357.83   60.862  2296.45   86.758  2417.32   85.402   48.621   0.9192   49.886   0.8819 -1.264824 1.273871 
1 1 1  -20    8   13 o   51.214   0.8021  2555.21   74.567  2533.05  130.936  2565.85   90.715   51.036   1.3217   51.392   0.9093 -0.3560753 1.604258 
1 1 1  -20    8   14 o   75.448   1.0267  5540.40  150.301  5374.93  213.253  5703.74  211.871   74.325   1.4781   76.572   1.4254 -2.246185 2.053401 
1 1 1  -20    8   15 o   15.683   2.0358  240.715   58.842  264.877   97.078  226.683   73.982   16.142   3.2111   15.224   2.5035 0.9181919 4.071692 
1 1 1  -20    8   16 o   33.122   1.0501  1067.85   65.930  1068.62  105.279  1067.36   84.566   33.121   1.6375   33.123   1.3152 -0.1815796E-02 2.100282 
1 1 1  -20    8   17 o   88.643   1.1475  7661.50  197.375  7578.83  281.953  7740.93  276.392   88.168   1.6474   89.117   1.5977 -0.9497452 2.294916 
1 1 1  -20    8   18 o   46.505   0.8909  2103.80   79.751  2122.27  121.104  2089.66  105.975   46.676   1.3366   46.335   1.1782 0.3411598 1.781780 
1 1 1  -20    8   19 o   47.200   0.8708  2175.20   79.366  2116.21  117.588  2224.57  107.562   46.602   1.2999   47.799   1.1592 -1.197624 1.741687 
1 1 1  -20    8   20 o   17.080   1.7642  286.800   57.706  296.286   89.833  280.135   75.295   17.297   2.6755   16.862   2.3003 0.4340649 3.528420 
1 1 1  -20    8   21 o   7.9517   2.1878  -5.0519   52.710  106.808   88.044 -67.5402   65.806   10.586   3.5919   5.3177   2.4988 5.268006 4.375555 
1 1 1  -20    8   22 o   41.087   0.9665  1656.21   76.691  1594.61  113.095  1708.64  104.346   40.360   1.4436   41.815   1.2855 -1.455128 1.932988 
1 1 1  -20    8   23 o   36.076   0.9841  1286.12   68.153  1196.63  102.132  1357.96   91.506   34.904   1.5074   37.248   1.2656 -2.343575 1.968189 
1 1 1  -20    8   24 o   19.383   1.5350  364.741   53.775  404.882   97.460  347.171   64.479   20.036   2.5059   18.730   1.7734 1.305752 3.069925 
1 1 1  -20    8   25 o   9.2184   2.3923   54.671   54.746  137.106   97.901   17.166   66.035   11.414   3.7869   7.0227   2.9243 4.391375 4.784547 
1 1 1  -20    8   26 o   25.849   1.2882  646.807   62.333  742.489  105.621  595.673   77.212   27.198   2.0005   24.500   1.6235 2.698494 2.576438 
1 1 1  -20    8   27 o   19.339   1.6937  382.454   61.150  388.010  101.370  379.276   76.671   19.305   2.7050   19.372   2.0389 -0.6694984E-01 3.387332 
1 1 1  -20    8   28 o   9.5087   2.5624   84.809   64.760  102.341  101.075   72.601   84.347   10.066   3.7949   8.9515   3.4443 1.114419 5.124890 
1 1 1  -20    9    1 o   94.499   0.8418  8677.07  154.421  8787.37  219.043  8568.08  217.732   95.097   1.1866   93.902   1.1945 1.194771 1.683685 
1 1 1  -20    9    2 o   42.871   0.6411  1784.96   53.351  1793.64   75.778  1776.43   75.125   42.974   0.9084   42.768   0.9049 0.2065620 1.282192 
1 1 1  -20    9    3 o   57.196   0.6510  3177.26   72.283  3200.40  102.387  3154.27  102.062   57.404   0.9188   56.988   0.9226 0.4153442 1.302094 
1 1 1  -20    9    4 o   93.561   0.8303  8505.69  150.790  8623.25  213.381  8388.42  213.118   94.208   1.1668   92.915   1.1816 1.292885 1.660617 
1 1 1  -20    9    5 o   69.683   0.6965  4716.34   94.209  4670.23  132.873  4762.95  133.592   69.340   0.9872   70.025   0.9828 -0.6852188 1.392971 
1 1 1  -20    9    6 o  110.302   0.9281 11825.18  198.709 11829.06  280.406 11821.26  281.632  110.321   1.3094  110.284   1.3155 0.3708649E-01 1.856107 
1 1 1  -20    9    7 o   26.662   0.8611  692.515   44.451  656.733   64.061  725.740   61.730   25.995   1.2695   27.329   1.1636 -1.334562 1.722121 
1 1 1  -20    9    8 o   95.634   0.8377  8887.42  155.515  8951.99  220.943  8824.03  218.933   95.978   1.1859   95.290   1.1836 0.6882095 1.675468 
1 1 1  -20    9    9 o   61.289   0.6628  3649.25   78.851  3609.99  111.976  3687.88  111.053   60.961   0.9462   61.616   0.9285 -0.6550865 1.325685 
1 1 1  -20    9   10 o   34.009   0.7120  1128.30   46.781  1062.16   68.274  1186.83   64.228   33.064   1.0637   34.954   0.9466 -1.890400 1.423936 
1 1 1  -20    9   11 o   50.926   0.6417  2519.48   63.431  2485.80   89.987  2552.74   89.424   50.588   0.9164   51.265   0.8986 -0.6773186 1.283443 
1 1 1  -20    9   12 o   36.603   0.6924  1299.95   49.129  1208.28   68.225  1398.68   70.805   35.264   0.9967   37.943   0.9613 -2.678276 1.384732 
1 1 1  -20    9   13 o   77.053   0.9141  5747.23  128.314  5849.10  225.193  5698.25  156.141   77.532   1.4963   76.574   1.0504 0.9575119 1.828176 
1 1 1  -20    9   14 o   45.612   0.9364  2036.14   81.545  1948.16  125.869  2099.77  107.048   44.748   1.4490   46.475   1.1866 -1.726860 1.872867 
1 1 1  -20    9   15 o   40.589   0.9438  1585.76   73.341  1700.94  115.187  1507.22   95.113   41.810   1.4193   39.369   1.2446 2.441319 1.887666 
1 1 1  -20    9   16 o   34.496   0.9753  1167.72   64.591  1081.54   96.675  1237.22   86.811   33.329   1.4942   35.664   1.2540 -2.334641 1.950685 
1 1 1  -20    9   17 o   15.434   2.1220  279.144   57.305  139.279   98.506  350.692   70.454   11.918   3.7872   18.949   1.9154 -7.030358 4.243991 
1 1 1  -20    9   18 o   22.253   1.4136  496.715   57.333  447.740   97.198  522.848   71.000   21.356   2.3446   23.150   1.5800 -1.793489 2.827276 
1 1 1  -20    9   19 o   15.759   1.8561  236.405   54.270  306.361   90.085  196.554   67.993   17.620   2.6338   13.899   2.6161 3.720794 3.712277 
1 1 1  -20    9   20 o   32.102   0.9632  1012.38   59.525  941.853   88.144  1071.50   80.709   31.054   1.4622   33.150   1.2542 -2.095659 1.926408 
1 1 1  -20    9   21 o   17.526   1.7201  301.376   57.921  322.505   89.636  286.229   75.894   18.030   2.5611   17.022   2.2969 1.008135 3.440147 
1 1 1  -20    9   22 o   31.772   1.0669  984.158   64.670  1016.91  102.004  962.143   83.625   32.185   1.6327   31.358   1.3738 0.8269596 2.133742 
1 1 1  -20    9   23 o   32.062   1.0237  1006.18   63.010  1027.92   96.993  990.302   82.880   32.336   1.5452   31.788   1.3432 0.5476398 2.047398 
1 1 1  -20    9   24 o   45.950   0.8683  2073.16   72.663  2055.18  126.657  2081.98   88.714   45.727   1.4269   46.174   0.9898 -0.4475174 1.736563 
1 1 1  -20    9   25 o   13.241   2.1507  168.247   52.938  274.301   91.846  115.488   64.780   16.052   3.0592   10.430   3.0237 5.622425 4.301375 
1 1 1  -20    9   26 o   18.861   1.8945  393.051   62.067  294.833  100.908  452.822   78.718   16.455   3.2743   21.268   1.9067 -4.812803 3.788999 
1 1 1  -20    9   27 o   8.4556   2.4214   48.029   60.213   43.816   99.812   50.440   75.498   8.7237   3.6107   8.1875   3.2272 0.5361834 4.842763 
1 1 1  -20    9   28 o   12.068   2.3814  142.596   62.963  283.372  101.687   55.064   80.183   15.777   3.4190   8.3580   3.3159 7.419049 4.762839 
1 1 1  -20   10    1 o   59.438   0.7866  3426.95   86.655  3413.85  107.496  3451.24  146.437   59.285   0.9341   59.591   1.2659 -0.3057213 1.573224 
1 1 1  -20   10    2 o   74.017   0.7219  5321.97  103.727  5338.81  146.372  5304.98  147.014   74.135   1.0171   73.899   1.0248 0.2357483 1.443887 
1 1 1  -20   10    3 o   23.736   0.9216  552.133   42.044  589.018   56.858  507.631   62.453   24.621   1.1897   22.851   1.4079 1.769375 1.843242 
1 1 1  -20   10    4 o   34.401   0.7071  1149.39   47.206  1114.05   66.350  1185.61   67.176   33.865   1.0093   34.937   0.9905 -1.071346 1.414154 
1 1 1  -20   10    5 o  110.395   0.9343 11845.58  200.204 11797.98  283.980 11892.62  282.289  110.173   1.3278  110.616   1.3147 -0.4425888 1.868551 
1 1 1  -20   10    6 o   57.058   0.8264  3188.68   84.909  3232.22  102.825  3095.34  150.543   57.687   0.9182   56.428   1.3744 1.259159 1.652881 
1 1 1  -20   10    7 o   33.861   0.7161  1111.14   47.011  1170.80   68.608  1058.34   64.545   34.716   1.0181   33.007   1.0074 1.709038 1.432228 
1 1 1  -20   10    8 o   48.562   0.6469  2290.66   60.959  2291.96   87.411  2289.43   85.057   48.575   0.9270   48.550   0.9025 0.2587891E-01 1.293787 
1 1 1  -20   10    9 o   20.525   1.0459  411.438   41.482  386.124   60.414  434.019   57.060   19.923   1.5621   21.127   1.3913 -1.204479 2.091893 
1 1 1  -20   10   10 o   7.5289   2.0159   35.170   41.384   61.581   60.234   11.557   56.955   8.4514   2.9666   6.6064   2.7304 1.844933 4.031834 
1 1 1  -20   10   11 o   77.105   0.7354  5776.07  110.069  5808.25  156.543  5744.60  154.793   77.317   1.0430   76.893   1.0371 0.4243164 1.470840 
1 1 1  -20   10   12 o   34.068   0.7241  1127.20   47.841  1140.52   69.400  1115.14   66.040   34.259   1.0436   33.877   1.0042 0.3818245 1.448290 
1 1 1  -20   10   13 o   82.516   0.9540  6618.51  143.642  6632.63  250.327  6611.58  175.391   82.553   1.5621   82.479   1.0955 0.7418823E-01 1.907924 
1 1 1  -20   10   14 o   90.707   1.1502  8011.67  202.490  7895.61  287.591  8125.77  285.153   90.052   1.6452   91.361   1.6079 -1.309532 2.300413 
1 1 1  -20   10   15 o   18.890   1.7919  377.495   59.429  265.268   92.985  454.993   77.270   16.175   3.0738   21.605   1.8425 -5.429625 3.583737 
1 1 1  -20   10   16 o   54.210   0.9273  2874.86   96.623  2737.90  145.288  2983.47  129.383   53.035   1.4112   55.384   1.2034 -2.349075 1.854681 
1 1 1  -20   10   17 o   84.499   1.1329  6960.49  185.533  6986.28  270.316  6937.52  255.110   84.636   1.6453   84.361   1.5578 0.2748260 2.265814 
1 1 1  -20   10   18 o   28.903   1.1983  840.258   63.685  733.273  105.017  902.489   80.094   27.373   1.9764   30.434   1.3557 -3.061003 2.396695 
1 1 1  -20   10   19 o   33.198   1.0557  1051.95   65.365  1159.43  111.055  994.984   80.853   34.445   1.6609   31.950   1.3036 2.494347 2.111431 
1 1 1  -20   10   20 o   25.016   1.2631  608.255   59.958  636.151   96.385  590.646   76.579   25.457   1.9505   24.574   1.6053 0.8827477 2.526147 
1 1 1  -20   10   21 o   15.025   1.8928  222.914   53.449  281.793   82.251  179.877   70.320   16.856   2.5138   13.193   2.8305 3.662480 3.785614 
1 1 1  -20   10   22 o   24.782   1.3295  618.774   61.857  545.287   97.392  668.461   80.083   23.465   2.1381   26.099   1.5807 -2.633636 2.659012 
1 1 1  -20   10   23 o   23.494   1.2945  530.035   58.087  638.392   92.850  460.356   74.457   25.397   1.8833   21.590   1.7766 3.807264 2.589060 
1 1 1  -20   10   24 o   11.766   2.3282  138.382   51.138  173.343   96.592  124.767   60.278   12.664   3.6983   10.869   2.8294 1.794176 4.656471 
1 1 1  -20   10   25 o   10.121   2.3914   97.514   53.420  137.185   90.524   76.316   66.171   11.339   3.6334   8.9026   3.1102 2.436216 4.782791 
1 1 1  -20   10   26 o   19.131   1.7586  365.081   62.324  406.906  107.451  343.877   76.508   19.806   2.7948   18.456   2.1355 1.349970 3.517243 
1 1 1  -20   10   27 o   8.2228   2.2034   33.936   59.554 -120.6144  101.571  114.902   73.516   6.1552   2.9520   10.290   3.2719 -4.135175 4.406775 
1 1 1  -20   10   28 f   10.510   2.5940  117.971   63.760  142.691  102.712  102.472   81.326   11.212   3.8773   9.8093   3.4469 1.402331 5.187923 
1 1 1  -20   11    1 o   42.305   0.6752  1739.82   55.393  1774.41   77.092  1702.91   79.644   42.741   0.9292   41.870   0.9799 0.8717346 1.350411 
1 1 1  -20   11    2 o   24.568   0.9312  586.875   44.385  563.577   62.690  610.293   62.851   24.079   1.3412   25.058   1.2921 -0.9794559 1.862371 
1 1 1  -20   11    3 o   45.729   0.6432  2030.21   57.082  2084.19   81.647  1978.59   79.835   46.324   0.9080   45.135   0.9112 1.188934 1.286358 
1 1 1  -20   11    4 o   30.296   0.7819  891.488   45.839  799.492   63.890  989.084   65.806   28.685   1.1474   31.908   1.0624 -3.222881 1.563747 
1 1 1  -20   11    5 o  104.637   0.9009 10641.38  182.982 10725.64  259.124 10557.57  258.429  105.051   1.2707  104.224   1.2773 0.8270721 1.801744 
1 1 1  -20   11    6 o   79.708   0.7467  6167.15  115.483  6402.99  166.003  5945.96  160.760   81.183   1.0534   78.232   1.0586 2.951271 1.493393 
1 1 1  -20   11    7 o   85.906   0.7845  7169.47  130.808  7048.02  183.729  7294.31  186.277   85.168   1.1113   86.643   1.1075 -1.475601 1.568969 
1 1 1  -20   11    8 o   63.967   0.8567  4020.89   98.315  4094.90  118.856  3860.53  174.955   64.927   0.9430   63.008   1.4304 1.919247 1.713327 
1 1 1  -20   11    9 o   63.015   0.6686  3857.99   81.765  3806.54  116.200  3908.45  115.075   62.598   0.9563   63.432   0.9346 -0.8336372 1.337108 
1 1 1  -20   11   10 o   38.171   0.6593  1404.94   48.645  1529.05   73.048  1306.04   65.208   39.675   0.9485   36.668   0.9161 3.006130 1.318657 
1 1 1  -20   11   11 f   43.395   0.6524  1830.51   54.879  1805.33   79.460  1853.48   75.885   43.108   0.9496   43.682   0.8949 -0.5734215 1.304822 
1 1 1  -20   11   12 o   66.826   0.6855  4338.40   88.902  4368.19  127.164  4309.92  124.336   67.050   0.9770   66.602   0.9617 0.4476700 1.370919 
1 1 1  -20   11   13 o   52.398   0.7900  2662.42   74.732  2685.14  133.153  2651.97   90.294   52.548   1.3054   52.249   0.8903 0.2991257 1.580046 
1 1 1  -20   11   14 o   37.510   0.9957  1362.83   69.934  1391.56  115.819  1346.35   87.733   37.808   1.5781   37.212   1.2146 0.5967255 1.991349 
1 1 1  -20   11   15 o   55.757   0.9305  3004.13   99.157  3135.59  155.892  2914.81  128.501   56.764   1.4148   54.749   1.2091 2.015739 1.861051 
1 1 1  -20   11   16 o   21.708   1.5036  458.693   60.278  466.403  102.835  454.658   74.399   21.824   2.4274   21.592   1.7750 0.2321472 3.007161 
1 1 1  -20   11   17 o   47.811   0.9343  2221.16   84.570  2247.25  135.862  2204.66  108.056   48.023   1.4574   47.599   1.1695 0.4236603 1.868612 
1 1 1  -20   11   18 o   41.312   0.9637  1670.96   74.780  1631.72  121.519  1694.88   94.871   40.898   1.5306   41.726   1.1713 -0.8277550 1.927378 
1 1 1  -20   11   19 o   6.2100   2.0383 -60.2485   55.883 -101.6646   99.444 -41.1330   67.559   6.5297   3.0694   5.8903   2.6828 0.6394439 4.076599 
1 1 1  -20   11   20 o   29.151   1.1305  796.309   61.249  951.578  106.323  719.191   74.931   31.164   1.7575   27.137   1.4224 4.027355 2.261037 
1 1 1  -20   11   21 o   41.488   0.8900  1676.80   71.275  1709.98  107.084  1650.40   95.504   41.845   1.3183   41.131   1.1961 0.7130890 1.780088 
1 1 1  -20   11   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   11   23 o   14.870   1.8410  211.127   47.167  264.935   90.802  191.242   55.199   15.869   3.0585   13.871   2.0500 1.998329 3.682035 
1 1 1  -20   11   24 o   10.499   2.3959   94.128   52.490  173.370   97.983   62.235   62.162   12.660   3.7327   8.3372   3.0046 4.322615 4.791765 
1 1 1  -20   11   25 o   10.239   2.3938  100.885   52.333  136.708   93.429   84.508   63.173   11.328   3.6966   9.1508   3.0423 2.177209 4.787503 
1 1 1  -20   11   26 o   23.624   1.4390  564.179   59.941  555.215  110.070  567.958   71.467   23.309   2.4327   23.939   1.5379 -0.6296310 2.878040 
1 1 1  -20   11   27 o   19.516   1.7239  383.662   62.572  425.407  106.771  361.825   77.223   20.161   2.7283   18.871   2.1080 1.289221 3.447781 
1 1 1  -20   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   12    1 o  109.945   0.9425 11753.93  201.085 11894.12  281.964 11608.84  286.854  110.615   1.3132  109.275   1.3523 1.339668 1.884969 
1 1 1  -20   12    2 o   65.246   0.6724  4133.36   85.119  4085.71  118.171  4184.73  122.710   64.856   0.9386   65.636   0.9631 -0.7798615 1.344849 
1 1 1  -20   12    3 o   82.934   0.7726  6682.83  124.353  6692.79  174.285  6672.51  177.481   82.998   1.0818   82.870   1.1033 0.1275253 1.545130 
1 1 1  -20   12    4 o   83.808   0.7651  6823.97  124.465  6797.90  175.524  6850.33  176.519   83.647   1.0810   83.969   1.0829 -0.3218613 1.530133 
1 1 1  -20   12    5 o   36.680   0.7063  1303.80   50.178  1353.38   73.943  1261.47   68.315   37.325   1.0206   36.036   0.9766 1.288185 1.412542 
1 1 1  -20   12    6 o  100.177   0.8669  9753.22  168.573  9723.62  237.554  9783.23  239.252  100.024   1.2235  100.330   1.2285 -0.3055573 1.733776 
1 1 1  -20   12    7 o   31.326   0.7603  953.530   46.192  951.554   66.703  955.351   64.030   31.294   1.0981   31.358   1.0519 -0.6382561E-01 1.520602 
1 1 1  -20   12    8 o   91.831   0.8311  8196.02  148.137  8160.90  210.972  8230.16  208.053   91.636   1.1860   92.026   1.1647 -0.3902054 1.662255 
1 1 1  -20   12    9 o   47.996   0.6279  2237.99   58.470  2221.91   83.862  2253.21   81.563   47.828   0.9033   48.165   0.8724 -0.3369675 1.255754 
1 1 1  -20   12   10 o   47.026   0.6410  2142.28   58.353  2222.70   86.397  2074.83   79.128   47.835   0.9304   46.218   0.8820 1.616562 1.282031 
1 1 1  -20   12   11 o   47.083   0.6357  2151.82   58.059  2197.70   83.958  2109.78   80.374   47.563   0.9093   46.603   0.8885 0.9602242 1.271311 
1 1 1  -20   12   12 o   26.786   0.8223  698.004   42.722  675.497   60.919  719.785   59.928   26.360   1.1905   27.212   1.1345 -0.8524132 1.644511 
1 1 1  -20   12   13 o   60.666   0.8447  3588.87   91.346  3550.05  165.729  3605.81  109.477   60.410   1.4133   60.922   0.9257 -0.5116425 1.689455 
1 1 1  -20   12   14 o   88.349   1.1604  7605.47  198.859  7458.28  284.990  7745.13  277.614   87.509   1.6777   89.190   1.6035 -1.680237 2.320725 
1 1 1  -20   12   15 o   54.915   0.9101  2938.38   96.030  2897.70  146.057  2969.35  127.450   54.570   1.3788   55.259   1.1881 -0.6886330 1.820106 
1 1 1  -20   12   16 o   42.539   0.9243  1756.41   74.879  1785.03  118.394  1737.33   96.669   42.816   1.4245   42.262   1.1783 0.5545769 1.848681 
1 1 1  -20   12   17 o   64.195   0.9557  4018.05  118.376  3976.68  176.885  4051.62  159.310   63.882   1.4264   64.508   1.2722 -0.6252441 1.911340 
1 1 1  -20   12   18 o   12.775   2.1188  189.638   52.313   79.347   95.035  237.584   62.660   9.9785   3.6958   15.571   2.0731 -5.592382 4.237529 
1 1 1  -20   12   19 o   43.536   0.9687  1878.60   78.786  1733.03  127.623  1968.24  100.147   42.119   1.5609   44.953   1.1477 -2.833820 1.937415 
1 1 1  -20   12   20 o   8.1951   2.2373   34.067   56.358 -73.6219   97.633   87.880   69.017   6.8146   3.1482   9.5755   3.1797 -2.760955 4.474594 
1 1 1  -20   12   21 o   39.570   0.9407  1522.39   70.846  1566.30  112.520  1493.55   91.190   40.017   1.4485   39.124   1.2007 0.8933868 1.881458 
1 1 1  -20   12   22 o   28.292   1.1605  785.554   61.791  792.895  100.712  781.123   78.251   28.354   1.8298   28.231   1.4279 0.1236191 2.320991 
1 1 1  -20   12   23 o   6.7752   2.0894  -2.2528   49.146 -45.1383   92.403   14.665   58.036   6.9243   3.1475   6.6261   2.7488 0.2981710 4.178809 
1 1 1  -20   12   24 o   7.2298   2.1736   11.907   48.658   10.288   92.559   12.526   57.200   7.9472   3.3930   6.5123   2.7175 1.434886 4.347123 
1 1 1  -20   12   25 o   28.003   1.1209  763.930   57.138  811.329  101.264  741.791   69.207   28.542   1.8277   27.465   1.2981 1.076725 2.241780 
1 1 1  -20   12   26 o   9.0409   2.3676   75.312   57.212   0.9654  105.614  106.190   68.064   8.0949   3.5397   9.9869   3.1453 -1.892075 4.735245 
1 1 1  -20   12   27 o   8.6313   2.4524   35.536   60.619  110.457  106.545  -0.3240   73.713   10.453   3.9050   6.8093   2.9679 3.644055 4.904812 
1 1 1  -20   13    1 o  104.215   0.9091 10554.67  183.856 10456.58  256.293 10658.67  263.897  103.717   1.2730  104.712   1.2983 -0.9943314 1.818251 
1 1 1  -20   13    2 o   29.081   0.8494  820.960   47.916  780.518   66.601  864.356   68.989   28.339   1.2107   29.823   1.1917 -1.483797 1.698803 
1 1 1  -20   13    3 o   97.357   0.8556  9211.54  161.619  9204.57  225.009  9218.97  232.292   97.321   1.1910   97.393   1.2287 -0.7212067E-01 1.711214 
1 1 1  -20   13    4 o  112.694   0.9582 12349.93  209.557 12551.37  294.756 12144.05  297.986  113.626   1.3363  111.762   1.3735 1.863991 1.916344 
1 1 1  -20   13    5 o   67.745   0.6837  4447.77   89.768  4277.38  122.894  4642.69  131.437   66.358   0.9541   69.132   0.9794 -2.774048 1.367305 
1 1 1  -20   13    6 o   76.220   0.7351  5639.85  108.706  5774.48  156.848  5515.40  150.797   77.094   1.0481   75.346   1.0310 1.748001 1.470206 
1 1 1  -20   13    7 o   28.271   0.8089  780.150   44.194  721.211   63.901  834.187   61.186   27.241   1.2085   29.301   1.0757 -2.060169 1.617896 
1 1 1  -20   13    8 o   92.890   0.8408  8385.69  151.556  8389.29  217.313  8382.28  211.471   92.908   1.2049   92.872   1.1730 0.3558350E-01 1.681615 
1 1 1  -20   13    9 o   11.470   1.8264  133.331   39.694  143.597   57.128  123.750   55.194   11.903   2.5493   11.037   2.6161 0.8659468 3.652742 
1 1 1  -20   13   10 o   49.198   0.6304  2349.97   60.171  2318.48   83.508  2383.98   86.776   48.856   0.8805   49.540   0.9024 -0.6843109 1.260787 
1 1 1  -20   13   11 o   39.890   0.6614  1545.39   51.208  1572.20   73.288  1519.82   71.579   40.227   0.9385   39.552   0.9323 0.6755333 1.322877 
1 1 1  -20   13   12 o   35.453   0.7009  1218.35   48.053  1254.13   71.543  1188.94   64.863   35.925   1.0259   34.982   0.9552 0.9434013 1.401727 
1 1 1  -20   13   13 o   71.143   0.8934  4943.57  114.759  4860.89  203.106  4982.34  139.089   70.679   1.4803   71.606   1.0006 -0.9265518 1.786819 
1 1 1  -20   13   14 o   44.988   0.8998  1971.70   76.701  1952.97  122.302  1983.83   98.473   44.801   1.4063   45.174   1.1230 -0.3729515 1.799637 
1 1 1  -20   13   15 o   49.307   0.8827  2352.33   83.585  2447.96  128.997  2283.13  109.738   50.160   1.3248   48.455   1.1667 1.704868 1.765311 
1 1 1  -20   13   16 o   52.896   0.8977  2724.87   91.564  2706.95  137.395  2739.18  122.811   52.731   1.3423   53.061   1.1923 -0.3297844 1.795357 
1 1 1  -20   13   17 o   45.334   0.8937  1995.58   77.635  2035.78  120.345  1966.93  101.605   45.713   1.3562   44.955   1.1643 0.7575989 1.787436 
1 1 1  -20   13   18 o   47.207   0.8932  2183.44   80.187  2106.24  125.600  2236.56  104.182   46.480   1.3921   47.934   1.1197 -1.454166 1.786473 
1 1 1  -20   13   19 o   28.871   1.1666  821.598   60.808  797.079  107.173  833.238   73.845   28.510   1.9365   29.232   1.3014 -0.7219276 2.333195 
1 1 1  -20   13   20 o   32.226   1.0925  1029.53   64.901  970.228  108.941  1062.15   80.806   31.456   1.7841   32.996   1.2616 -1.540075 2.185077 
1 1 1  -20   13   21 o   26.609   1.2333  702.491   61.096  668.688  100.592  722.249   76.906   26.050   1.9893   27.168   1.4583 -1.117884 2.466549 
1 1 1  -20   13   22 o   32.559   0.9646  1021.28   55.346  1079.61  103.978  998.211   65.378   33.137   1.6165   31.981   1.0531 1.155254 1.929243 
1 1 1  -20   13   23 o   10.767   2.1721  132.493   48.363   59.058   93.629  159.217   56.482   9.1458   3.5974   12.389   2.4354 -3.243379 4.344270 
1 1 1  -20   13   24 o   14.692   2.0028  213.838   52.295  255.031   94.877  195.861   62.676   15.423   3.2704   13.961   2.3127 1.462298 4.005537 
1 1 1  -20   13   25 o   14.485   2.0507  213.610   52.591  254.799   94.044  194.869   63.437   15.319   3.2625   13.651   2.4855 1.667706 4.101417 
1 1 1  -20   13   26 o   17.143   1.9567  306.261   54.352  315.423  109.113  303.238   62.682   16.886   3.4454   17.399   1.8558 -0.5129662 3.913429 
1 1 1  -20   13   27 o   16.016   2.1046  256.662   58.435  331.506  111.768  228.508   68.550   17.147   3.4769   14.885   2.3724 2.261084 4.209180 
1 1 1  -20   14    1 o   44.679   0.6804  1936.85   58.935  1895.21   81.014  1983.65   85.892   44.170   0.9449   45.188   0.9792 -1.017464 1.360722 
1 1 1  -20   14    2 o   86.080   0.7871  7200.79  131.519  7293.81  185.719  7107.21  186.274   86.639   1.1043   85.522   1.1220 1.117012 1.574294 
1 1 1  -20   14    3 o   74.390   0.7232  5377.08  104.414  5446.45  147.070  5306.58  148.266   74.874   1.0119   73.905   1.0335 0.9692001 1.446362 
1 1 1  -20   14    4 o   51.293   0.8059  2621.09   74.174  2735.73   90.318  2383.59  129.999   53.072   0.8767   49.514   1.3525 3.557682 1.611804 
1 1 1  -20   14    5 o   91.778   0.8295  8185.96  147.772  8310.69  209.302  8062.00  208.661   92.475   1.1660   91.080   1.1802 1.395576 1.659012 
1 1 1  -20   14    6 o   55.496   0.6480  2991.29   69.785  2978.92   97.497  3004.29   99.928   55.379   0.9069   55.613   0.9256 -0.2344131 1.295906 
1 1 1  -20   14    7 o   83.484   0.7819  6771.55  126.710  6671.51  178.201  6873.86  180.204   82.860   1.1079   84.108   1.1037 -1.247566 1.563859 
1 1 1  -20   14    8 o   28.215   0.8398  771.403   45.924  829.149   66.975  720.158   63.092   29.209   1.1812   27.221   1.1940 1.987762 1.679541 
1 1 1  -20   14    9 o   30.260   0.7648  888.638   44.864  910.067   65.491  869.689   61.584   30.603   1.1024   29.918   1.0604 0.6852951 1.529645 
1 1 1  -20   14   10 o   64.883   0.6812  4089.88   85.792  4108.81  121.958  4071.34  120.709   65.031   0.9661   64.735   0.9606 0.2968445 1.362383 
1 1 1  -20   14   11 o   39.481   0.6666  1515.85   50.939  1494.60   74.645  1534.38   69.687   39.220   0.9804   39.742   0.9033 -0.5217972 1.333141 
1 1 1  -20   14   12 o   42.260   0.6506  1736.30   53.333  1676.47   75.937  1794.55   74.920   41.540   0.9417   42.980   0.8980 -1.439915 1.301241 
1 1 1  -20   14   13 o   32.895   0.9604  1076.80   55.591  994.346  101.248  1112.38   66.513   31.957   1.6321   33.833   1.0127 -1.876493 1.920816 
1 1 1  -20   14   14 o   50.380   0.9000  2482.99   86.943  2369.92  132.080  2569.45  115.495   49.353   1.3787   51.408   1.1574 -2.054199 1.800051 
1 1 1  -20   14   15 f   31.267   1.0819  955.736   62.934  939.302  104.799  965.006   78.706   31.041   1.7392   31.494   1.2874 -0.4530888 2.163890 
1 1 1  -20   14   16 o   18.396   1.6805  331.409   56.426  332.680   98.240  330.783   68.930   18.391   2.7518   18.400   1.9298 -0.9529114E-02 3.361070 
1 1 1  -20   14   17 o   31.994   1.0585  999.263   62.113  994.916  106.941  1001.48   76.303   31.917   1.7261   32.072   1.2256 -0.1544590 2.116950 
1 1 1  -20   14   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   14   19 o   32.631   1.0091  1020.97   59.701  1091.31  106.911  989.103   71.968   33.401   1.6489   31.861   1.1636 1.540430 2.018135 
1 1 1  -20   14   20 o   26.857   1.2565  724.685   60.577  660.294  105.992  755.921   73.822   25.893   2.1088   27.822   1.3669 -1.928730 2.513019 
1 1 1  -20   14   21 o   23.580   1.3784  565.057   59.160  495.081   99.562  603.249   73.553   22.347   2.2952   24.813   1.5271 -2.466305 2.756759 
1 1 1  -20   14   22 o   20.535   1.4206  424.845   49.814  402.426   95.555  433.211   58.374   20.053   2.4547   21.016   1.4309 -0.9627571 2.841289 
1 1 1  -20   14   23 o   42.020   0.8726  1758.48   64.207  1662.53  118.513  1798.35   76.389   41.106   1.4852   42.933   0.9166 -1.826279 1.745286 
1 1 1  -20   14   24 o   25.576   1.2499  681.708   53.141  581.598  103.009  718.013   62.032   24.082   2.2036   27.070   1.1805 -2.988163 2.499854 
1 1 1  -20   14   25 o   27.869   1.1121  765.129   55.937  780.497   99.764  758.082   67.555   27.971   1.8374   27.768   1.2533 0.2026691 2.224132 
1 1 1  -20   14   26 o   17.327   1.9844  321.414   56.102  307.206  109.382  326.486   65.352   16.609   3.5029   18.045   1.8657 -1.435852 3.968796 
1 1 1  -20   14   27 o   7.8352   2.3156   33.602   55.759 -12.9964  109.868   49.768   64.713   7.8728   3.5176   7.7975   3.0123 0.7529688E-01 4.631166 
1 1 1  -20   15    1 o   26.107   0.8742  663.921   44.159  641.997   64.476  683.290   60.603   25.699   1.2925   26.516   1.1774 -0.8170853 1.748363 
1 1 1  -20   15    2 o   38.683   0.6875  1454.90   51.566  1487.29   71.775  1420.36   74.133   39.129   0.9449   38.237   0.9988 0.8923759 1.374942 
1 1 1  -20   15    3 o   76.924   0.7362  5749.26  109.915  5760.57  154.481  5737.66  156.423   77.001   1.0335   76.847   1.0486 0.1544189 1.472306 
1 1 1  -20   15    4 o   27.478   0.8535  734.408   45.391  663.368   63.661  807.872   64.738   26.124   1.2554   28.832   1.1567 -2.708477 1.707007 
1 1 1  -20   15    5 o   83.682   0.9163  6796.72  142.714  6845.07  238.908  6769.89  177.953   83.895   1.4670   83.470   1.0983 0.4251938 1.832571 
1 1 1  -20   15    6 o   89.283   0.8113  7738.22  140.510  7533.77  194.363  7962.04  203.366   88.050   1.1372   90.516   1.1574 -2.466148 1.622564 
1 1 1  -20   15    7 o   79.068   0.7612  6074.35  116.814  6076.12  166.717  6072.63  163.723   79.079   1.0861   79.058   1.0668 0.2120209E-01 1.522395 
1 1 1  -20   15    8 o   98.234   0.8925  9378.72  170.177  9262.07  238.787  9499.12  242.591   97.614   1.2602   98.854   1.2642 -1.240784 1.785010 
1 1 1  -20   15    9 o   74.882   0.7300  5449.20  106.095  5350.06  150.312  5547.63  149.771   74.202   1.0435   75.562   1.0211 -1.359474 1.459993 
1 1 1  -20   15   10 o   43.776   0.6496  1860.57   55.169  1896.07   79.596  1827.75   76.535   44.177   0.9282   43.375   0.9090 0.8022881 1.299133 
1 1 1  -20   15   11 o   63.543   0.6709  3922.83   82.753  3918.83  116.539  3926.91  117.528   63.510   0.9453   63.575   0.9523 -0.6501007E-01 1.341828 
1 1 1  -20   15   12 o   51.879   0.6361  2614.35   64.052  2643.61   91.156  2585.80   90.021   52.165   0.9002   51.592   0.8989 0.5734444 1.272136 
1 1 1  -20   15   13 o   89.596   1.0320  7789.04  167.203  7874.50  297.127  7749.44  202.269   89.913   1.7024   89.280   1.1671 0.6327896 2.064031 
1 1 1  -20   15   14 o   19.251   1.6407  335.488   57.860  445.779  105.130  287.564   69.300   21.340   2.5379   17.163   2.0800 4.176283 3.281373 
1 1 1  -20   15   15 o   51.022   0.9233  2538.41   89.634  2507.34  141.086  2559.43  116.068   50.746   1.4322   51.298   1.1656 -0.5516968 1.846602 
1 1 1  -20   15   16 o   21.833   1.5814  510.144   58.613  371.252  104.921  573.154   70.669   19.417   2.7837   24.249   1.5013 -4.832750 3.162745 
1 1 1  -20   15   17 o   28.682   1.1549  787.226   59.084  843.292  109.079  763.946   70.289   29.360   1.9139   28.005   1.2930 1.355566 2.309713 
1 1 1  -20   15   18 o   47.263   0.9211  2196.90   82.170  2090.12  130.906  2266.33  105.554   46.282   1.4571   48.245   1.1271 -1.962868 1.842121 
1 1 1  -20   15   19 o   10.858   2.1938  124.343   48.329   91.540   82.568  141.438   59.606   9.9953   3.4753   11.721   2.6784 -1.725326 4.387629 
1 1 1  -20   15   20 o   13.892   2.1238  233.938   53.798  100.481   98.574  290.553   64.203   10.592   3.7871   17.193   1.9237 -6.601660 4.247694 
1 1 1  -20   15   21 o   25.701   1.2805  678.432   58.845  572.043  101.190  732.794   72.332   24.034   2.1690   27.368   1.3615 -3.334066 2.560912 
1 1 1  -20   15   22 o   20.632   1.4127  440.883   49.134  382.421   93.742  463.027   57.694   19.532   2.4725   21.733   1.3676 -2.201157 2.825473 
1 1 1  -20   15   23 f   26.276   1.1648  685.122   52.500  673.426  101.063  689.445   61.441   26.018   2.0010   26.535   1.1928 -0.5167637 2.329579 
1 1 1  -20   15   24 o   26.410   1.2094  714.770   52.511  645.113  105.136  737.922   60.612   25.373   2.1346   27.447   1.1376 -2.074142 2.418817 
1 1 1  -20   15   25 o   30.398   1.1176  959.894   58.044  818.310  107.932  1017.50   68.848   28.582   1.9453   32.213   1.1010 -3.630888 2.235265 
1 1 1  -20   15   26 o   9.5553   2.4709   79.309   54.748  121.735  104.213   63.137   64.342   10.812   3.8910   8.2984   3.0467 2.513665 4.941850 
1 1 1  -20   15   27 o   12.967   2.4193  154.143   56.546  300.055  114.403  106.973   65.047   16.051   3.7409   9.8826   3.0687 6.168615 4.838515 
1 1 1  -20   16    1 o   46.607   0.6633  2113.49   59.826  2159.17   82.003  2061.50   87.476   47.148   0.8960   46.066   0.9782 1.082047 1.326546 
1 1 1  -20   16    2 o   40.586   0.6826  1600.10   53.761  1601.14   77.091  1599.12   75.012   40.598   0.9782   40.573   0.9524 0.2460098E-01 1.365274 
1 1 1  -20   16    3 f   50.652   0.6578  2491.39   64.624  2473.35   89.498  2511.03   93.413   50.461   0.9137   50.843   0.9465 -0.3815765 1.315529 
1 1 1  -20   16    4 o   64.715   0.6713  4068.05   84.319  4082.48  120.008  4053.99  118.498   64.828   0.9536   64.602   0.9449 0.2260971 1.342505 
1 1 1  -20   16    5 o   98.946   1.0511  9407.07  190.375  9186.03  231.941  9863.45  333.273   97.218   1.2290  100.674   1.7054 -3.456177 2.102105 
1 1 1  -20   16    6 o   79.658   0.7626  6161.43  117.875  6305.60  169.593  6026.70  163.950   80.558   1.0845   78.757   1.0724 1.800819 1.525186 
1 1 1  -20   16    7 o   38.377   0.6628  1433.35   49.231  1389.85   71.760  1472.03   67.665   37.824   0.9773   38.929   0.8954 -1.104980 1.325506 
1 1 1  -20   16    8 o   51.677   0.8446  2592.23   76.677  2603.75  143.178  2587.60   90.795   51.741   1.4255   51.612   0.9062 0.1293640 1.689192 
1 1 1  -20   16    9 o   80.900   0.7726  6357.94  121.309  6220.77  169.485  6502.04  173.705   80.006   1.0913   81.794   1.0940 -1.788437 1.545262 
1 1 1  -20   16   10 o   61.015   0.6487  3613.15   76.782  3709.25  111.173  3525.50  106.173   61.790   0.9269   60.241   0.9079 1.548794 1.297479 
1 1 1  -20   16   11 o   89.496   0.8299  7783.71  144.148  7903.97  206.122  7668.59  201.664   90.172   1.1776   88.820   1.1696 1.351898 1.659744 
1 1 1  -20   16   12 o   28.211   0.8115  769.298   44.307  851.803   65.382  699.233   60.252   29.602   1.1378   26.820   1.1573 2.782492 1.622961 
1 1 1  -20   16   13 o   35.623   1.0449  1229.04   67.737  1252.44  119.164  1217.87   82.332   35.855   1.7121   35.391   1.1984 0.4648247 2.089855 
1 1 1  -20   16   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   16   15 o   42.081   0.9380  1735.52   73.084  1683.86  122.577  1764.02   91.034   41.573   1.5189   42.589   1.1011 -1.016300 1.876053 
1 1 1  -20   16   16 o   68.952   0.9938  4629.46  131.959  4658.50  199.880  4607.02  175.689   69.127   1.4896   68.777   1.3159 0.3498459 1.987575 
1 1 1  -20   16   17 o   20.518   1.5819  408.347   58.497  426.335  105.308  400.320   70.348   20.800   2.6081   20.236   1.7909 0.5639057 3.163797 
1 1 1  -20   16   18 o   13.099   2.2310  177.943   51.066  158.146  103.936  184.242   58.631   12.507   3.8783   13.690   2.2063 -1.182837 4.461941 
1 1 1  -20   16   19 o   24.166   1.1699  556.566   52.410  621.829   90.506  523.641   64.285   25.178   1.8518   23.154   1.4303 2.023977 2.339828 
1 1 1  -20   16   20 o   32.824   1.0650  1091.89   62.952  947.422  107.949  1166.34   77.494   31.066   1.7901   34.583   1.1544 -3.517389 2.130015 
1 1 1  -20   16   21 o   13.423   1.9264  260.612   45.930   26.501   97.636  327.143   52.049   8.5767   3.5622   18.269   1.4677 -9.692146 3.852756 
1 1 1  -20   16   22 o   13.814   1.9564  187.193   46.480  219.671   89.920  175.350   54.296   14.351   3.2971   13.276   2.1068 1.074840 3.912709 
1 1 1  -20   16   23 o   32.170   1.0066  1036.86   55.791  973.565  105.457  1061.47   65.745   31.379   1.7313   32.962   1.0275 -1.582901 2.013270 
1 1 1  -20   16   24 o   12.972   2.1926  196.784   51.674  125.108  102.058  221.493   59.923   11.072   3.8629   14.872   2.0757 -3.799327 4.385294 
1 1 1  -20   16   25 o   5.8220   1.9299 -49.9017   49.535 -113.1953   99.862 -29.2462   57.048   6.2158   2.9664   5.4283   2.4696 0.7875423 3.859858 
1 1 1  -20   16   26 o   13.644   2.2021  202.700   54.082  197.589   99.458  204.845   64.442   13.147   3.7264   14.141   2.3476 -0.9934731 4.404251 
1 1 1  -20   16   27 o   7.9852   2.3066   40.034   57.852 -53.6725  113.392   73.009   67.264   7.3541   3.3959   8.6163   3.1224 -1.262181 4.613142 
1 1 1  -20   17    1 o   63.591   0.6841  3923.12   84.366  3810.88  116.313  4047.74  122.555   62.633   0.9567   64.549   0.9781 -1.915871 1.368160 
1 1 1  -20   17    2 o   56.838   0.6552  3128.90   72.093  3022.89   97.747  3255.35  106.756   55.786   0.9026   57.889   0.9500 -2.102867 1.310448 
1 1 1  -20   17    3 o   46.717   0.6512  2118.19   59.031  2206.93   84.806  2034.79   82.218   47.666   0.9165   45.769   0.9254 1.896950 1.302472 
1 1 1  -20   17    4 f   67.570   0.6975  4435.10   91.479  4414.43  128.112  4456.60  130.667   67.410   0.9790   67.731   0.9938 -0.3202667 1.395069 
1 1 1  -20   17    5 o  108.621   0.9587 11472.02  202.073 11444.01  289.666 11498.56  282.037  108.489   1.3755  108.753   1.3360 -0.2637253 1.917474 
1 1 1  -20   17    6 o   94.365   0.8685  8655.28  159.090  8631.14  224.609  8679.58  225.366   94.233   1.2279   94.497   1.2286 -0.2639999 1.736995 
1 1 1  -20   17    7 o   37.470   0.6848  1364.64   49.787  1332.48   70.922  1395.89   69.908   37.034   0.9866   37.906   0.9501 -0.8723068 1.369633 
1 1 1  -20   17    8 o   24.052   0.9231  563.524   42.851  488.943   59.989  641.225   61.231   22.421   1.3783   25.682   1.2282 -3.260740 1.846141 
1 1 1  -20   17    9 o   41.986   0.9300  1689.73   66.098  1664.73   76.329  1764.71  132.164   41.394   0.9499   42.579   1.5990 -1.185101 1.859913 
1 1 1  -20   17   10 o   33.666   0.7296  1101.88   47.630  1088.72   68.672  1114.08   66.119   33.471   1.0569   33.861   1.0059 -0.3895874 1.459100 
1 1 1  -20   17   11 o   28.828   0.7812  807.301   43.616  813.940   64.005  801.545   59.596   28.937   1.1394   28.719   1.0690 0.2186451 1.562420 
1 1 1  -20   17   12 o   61.905   0.6659  3721.86   79.997  3641.95  111.661  3806.13  114.664   61.223   0.9396   62.588   0.9438 -1.364471 1.331727 
1 1 1  -20   17   13 o   71.137   0.9022  4916.86  114.920  4935.86  207.582  4908.47  137.997   71.207   1.5018   71.067   1.0003 0.1395493 1.804413 
1 1 1  -20   17   14 o   65.638   0.9566  4184.51  120.772  4254.23  184.312  4132.05  159.878   66.105   1.4363   65.171   1.2638 0.9338074 1.913168 
1 1 1  -20   17   15 o   78.023   1.0575  5931.67  159.583  5935.80  235.971  5928.19  216.636   78.035   1.5578   78.011   1.4306 0.2391815E-01 2.114990 
1 1 1  -20   17   16 o   40.181   0.9679  1602.57   71.121  1482.46  120.767  1666.35   88.000   38.979   1.5961   41.383   1.0955 -2.404602 1.935843 
1 1 1  -20   17   17 o   65.223   0.9858  4166.27  123.311  4021.21  187.809  4276.20  163.487   64.195   1.5071   66.250   1.2712 -2.054893 1.971666 
1 1 1  -20   17   18 f   51.571   0.9282  2588.82   89.130  2611.16  149.079  2576.40  111.192   51.709   1.4852   51.433   1.1137 0.2765999 1.856372 
1 1 1  -20   17   19 o   15.531   1.8133  215.418   50.486  334.940   92.492  164.695   60.254   18.380   2.5924   12.682   2.5361 5.697585 3.626562 
1 1 1  -20   17   20 o   44.877   0.9066  1977.49   76.094  1926.29  124.851  2007.76   95.981   44.374   1.4494   45.380   1.0896 -1.006271 1.813283 
1 1 1  -20   17   21 o   22.220   1.3029  454.939   46.644  546.585  103.211  431.417   52.288   23.440   2.2683   20.999   1.2827 2.440783 2.605873 
1 1 1  -20   17   22 o   13.796   1.9709  203.556   45.833  181.146   88.800  211.694   53.511   12.977   3.4614   14.616   1.8861 -1.638700 3.941899 
1 1 1  -20   17   23 o   23.770   1.3386  613.943   51.625  459.348   99.504  670.885   60.389   21.367   2.3990   26.174   1.1886 -4.806461 2.677280 
1 1 1  -20   17   24 f   8.8468   2.3112   71.671   50.586   25.070  101.422   87.103   58.365   8.5035   3.5877   9.1902   2.9146 -0.6866589 4.622408 
1 1 1  -20   17   25 o   9.2012   2.3244   83.598   50.800   50.482   97.315   96.003   59.560   8.8740   3.6069   9.5283   2.9328 -0.6542902 4.648782 
1 1 1  -20   17   26 o   9.1886   2.3494   57.999   50.231  148.790   97.588   25.276   58.588   11.528   3.7788   6.8492   2.7930 4.678836 4.698894 
1 1 1  -20   17   27 o   11.809   2.3197  175.479   56.807   77.952  112.619  208.763   65.791   9.6529   3.8955   13.965   2.5197 -4.311947 4.639350 
1 1 1  -20   18    1 o   34.436   0.7893  1153.39   52.578  1163.64   71.596  1141.38   77.462   34.605   1.0658   34.268   1.1645 0.3364220 1.578611 
1 1 1  -20   18    2 o   10.915   2.0176  121.675   43.264  132.384   58.179  108.426   64.710   11.412   2.6732   10.418   3.0226 0.9939690 4.035145 
1 1 1  -20   18    3 o   6.6983   1.9370   9.6523   41.829   39.337   55.555 -29.2029   63.560   7.4533   2.8126   5.9434   2.6641 1.509894 3.874009 
1 1 1  -20   18    4 o   61.257   0.6728  3645.44   79.986  3655.43  112.078  3635.08  114.186   61.343   0.9412   61.171   0.9616 0.1721382 1.345592 
1 1 1  -20   18    5 o   44.104   0.6622  1889.70   56.658  1807.63   79.743  1973.37   80.515   43.136   0.9523   45.072   0.9203 -1.935547 1.324318 
1 1 1  -20   18    6 o   55.957   0.6506  3041.67   70.623  2897.71   99.261  3189.25  100.501   54.615   0.9363   57.298   0.9036 -2.683380 1.301176 
1 1 1  -20   18    7 o   66.524   0.6979  4296.27   90.083  4450.44  129.518  4151.80  125.376   67.679   0.9859   65.368   0.9881 2.310341 1.395760 
1 1 1  -20   18    8 o   98.650   0.8977  9462.71  171.906  9499.49  243.791  9426.34  242.438   98.841   1.2706   98.460   1.2685 0.3810043 1.795399 
1 1 1  -20   18    9 o   46.942   0.6465  2145.79   58.726  2064.70   85.498  2218.23   80.804   46.099   0.9554   47.786   0.8711 -1.687359 1.292926 
1 1 1  -20   18   10 o   62.418   0.6731  3781.74   81.511  3890.41  117.669  3681.50  113.019   63.279   0.9579   61.557   0.9458 1.721649 1.346193 
1 1 1  -20   18   11 o   33.742   0.6993  1104.26   45.699  1135.31   67.312  1077.72   62.240   34.180   1.0145   33.304   0.9627 0.8761940 1.398606 
1 1 1  -20   18   12 o   38.095   0.8573  1426.65   57.289  1374.72  106.092  1448.02   68.065   37.584   1.4541   38.605   0.9083 -1.020504 1.714501 
1 1 1  -20   18   13 o   19.852   1.3995  392.423   47.491  367.865   90.966  401.625   55.682   19.391   2.4167   20.314   1.4120 -0.9235191 2.798974 
1 1 1  -20   18   14 o   35.182   0.9587  1228.21   62.422  1123.81  103.061  1288.70   78.448   33.962   1.5633   36.403   1.1101 -2.441227 1.917375 
1 1 1  -20   18   15 o   59.011   0.9080  3367.83  102.575  3523.38  160.404  3260.22  133.422   60.143   1.3739   57.879   1.1875 2.263390 1.816010 
1 1 1  -20   18   16 o   53.336   0.8922  2770.53   90.542  2770.60  142.981  2770.49  116.986   53.318   1.3815   53.354   1.1295 -0.3519821E-01 1.784457 
1 1 1  -20   18   17 o   57.177   0.9418  3194.07  102.019  3154.40  162.572  3219.85  131.030   56.856   1.4730   57.499   1.1739 -0.6429062 1.883584 
1 1 1  -20   18   18 o   25.632   1.2447  595.501   55.663  755.073  110.388  541.092   64.458   27.722   2.0514   23.543   1.4104 4.178822 2.489462 
1 1 1  -20   18   19 f   23.087   1.3528  517.045   55.016  539.344  103.053  508.157   65.064   23.374   2.2713   22.800   1.4701 0.5739441 2.705542 
1 1 1  -20   18   20 o   20.828   1.3151  380.826   43.304  510.405  100.641  351.384   47.972   22.694   2.2845   18.962   1.3033 3.731880 2.630114 
1 1 1  -20   18   21 o   39.130   0.9091  1506.36   57.669  1484.26  120.914  1512.87   65.612   38.853   1.6032   39.407   0.8577 -0.5542488 1.818226 
1 1 1  -20   18   22 f   15.256   1.8650  249.850   44.710  219.768   91.551  259.271   51.235   14.299   3.3559   16.212   1.6280 -1.913059 3.729924 
1 1 1  -20   18   23 o   25.514   1.2166  672.182   51.811  587.400  100.574  702.810   60.450   24.238   2.1376   26.790   1.1624 -2.552303 2.433244 
1 1 1  -20   18   24 o   13.146   2.2235  163.473   50.369  248.192  101.568  135.843   58.004   14.993   3.5455   11.300   2.6842 3.693830 4.446942 
1 1 1  -20   18   25 o   6.8393   2.0839   6.6045   48.181  -7.8163   83.884   13.704   58.858   7.1239   3.1338   6.5546   2.7475 0.5692563 4.167712 
1 1 1  -20   18   26 o   8.7503   2.2537   74.836   49.679   35.857   89.533   92.176   59.715   8.2035   3.4096   9.2970   2.9481 -1.093481 4.507362 
1 1 1  -20   19    1 f   39.091   0.8762  1496.48   61.650  1514.92   74.612  1456.79  109.454   39.486   0.9734   38.696   1.4571 0.7903481 1.752361 
1 1 1  -20   19    2 f   42.302   0.6882  1724.16   55.878  1647.81   73.050  1831.83   86.751   41.185   0.9137   43.418   1.0293 -2.233479 1.376352 
1 1 1  -20   19    3 o   15.369   1.4582  229.783   43.313  201.368   59.791  261.159   62.829   14.368   2.1437   16.369   1.9773 -2.000706 2.916364 
1 1 1  -20   19    4 o   24.879   0.9534  601.280   46.009  569.282   64.014  635.472   66.172   24.194   1.3630   25.563   1.3335 -1.368959 1.906829 
1 1 1  -20   19    5 o   40.606   0.6664  1601.82   52.402  1600.82   71.655  1602.97   76.831   40.594   0.9093   40.618   0.9744 -0.2448273E-01 1.332817 
1 1 1  -20   19    6 o   26.062   0.8546  658.168   43.156  625.016   58.882  696.646   63.435   25.356   1.1963   26.769   1.2208 -1.412693 1.709204 
1 1 1  -20   19    7 f   31.566   0.7467  975.219   45.370  902.554   67.096  1036.43   61.583   30.472   1.1343   32.660   0.9713 -2.188246 1.493371 
1 1 1  -20   19    8 o   18.909   1.1973  357.497   42.682  269.923   62.030  436.242   58.820   16.642   1.9201   21.176   1.4309 -4.534180 2.394661 
1 1 1  -20   19    9 o   37.143   0.6750  1338.04   48.563  1374.33   71.482  1306.93   66.181   37.609   0.9791   36.677   0.9295 0.9319267 1.350084 
1 1 1  -20   19   10 o   35.449   0.6714  1220.88   46.200  1226.27   65.709  1215.61   64.970   35.526   0.9528   35.372   0.9462 0.1545105 1.342846 
1 1 1  -20   19   11 o   37.699   0.6392  1375.96   46.692  1291.86   63.831  1472.74   68.478   36.465   0.9018   38.934   0.9061 -2.469044 1.278337 
1 1 1  -20   19   12 o   43.059   0.8530  1819.56   62.307  1768.82  121.998  1837.46   72.471   42.629   1.4743   43.489   0.8585 -0.8601990 1.706017 
1 1 1  -20   19   13 o   57.501   0.8520  3228.81   86.621  3184.51  159.263  3247.42  103.224   57.194   1.4345   57.807   0.9199 -0.6132584 1.704100 
1 1 1  -20   19   14 o   80.431   1.0804  6311.84  168.217  6194.10  245.994  6415.26  230.546   79.713   1.5898   81.150   1.4635 -1.437393 2.160852 
1 1 1  -20   19   15 o   80.692   1.0789  6345.64  168.361  6393.53  249.622  6305.68  228.036   80.955   1.5884   80.429   1.4606 0.5264740 2.157888 
1 1 1  -20   19   16 o   9.6913   2.2373   93.586   47.392   44.978   92.748  110.762   55.133   8.9775   3.5648   10.405   2.7046 -1.427701 4.474681 
1 1 1  -20   19   17 o   43.371   0.9099  1792.74   71.285  1944.87  129.014  1725.88   85.526   44.634   1.4890   42.108   1.0463 2.526226 1.819896 
1 1 1  -20   19   18 o   9.0013   2.3822   61.014   49.046   67.091  104.177   59.283   55.592   9.8511   3.8174   8.1514   2.8506 1.699642 4.764307 
1 1 1  -20   19   19 o   24.941   1.2929  640.622   53.268  552.867  104.803  671.189   61.854   23.653   2.2826   26.230   1.2148 -2.576586 2.585700 
1 1 1  -20   19   20 o   40.481   0.8465  1566.90   55.527  1661.91  118.682  1540.27   62.827   41.182   1.4846   39.779   0.8136 1.402935 1.692945 
1 1 1  -20   19   21 o   19.621   1.4710  355.683   45.185  429.152  103.965  338.573   50.171   20.660   2.5924   18.581   1.3909 2.078636 2.941938 
1 1 1  -20   19   22 o   44.761   0.8319  2038.44   63.743  1794.03  119.604  2135.39   75.332   42.717   1.4424   46.805   0.8291 -4.088314 1.663723 
1 1 1  -20   19   23 o   6.5892   2.0775 -29.8278   47.050   23.756   93.279 -48.1125   54.490   8.2397   3.4566   4.9387   2.3055 3.301011 4.154934 
1 1 1  -20   19   24 o   18.133   1.7762  356.063   49.590  308.346  101.591  370.990   56.820   16.896   3.2148   19.369   1.5112 -2.472322 3.552333 
1 1 1  -20   19   25 f   13.227   2.1130  186.841   49.462  187.257   93.539  186.680   58.275   12.896   3.5994   13.558   2.2142 -0.6617651 4.225939 
1 1 1  -20   19   26 o   17.859   2.0021  413.100   52.747  215.096  101.718  485.930   61.690   13.599   3.7376   22.119   1.4367 -8.519820 4.004216 
1 1 1  -20   20    1 o   31.182   0.8326  949.086   49.739  970.940   65.696  919.738   76.134   31.608   1.0707   30.755   1.2753 0.8530254 1.665159 
1 1 1  -20   20    2 o   62.598   0.7036  3806.95   85.453  3790.11  118.772  3825.02  123.039   62.456   0.9797   62.741   1.0103 -0.2847977 1.407249 
1 1 1  -20   20    3 o   63.487   0.7024  3919.01   86.506  4029.39  121.398  3805.15  123.301   64.398   0.9711   62.577   1.0150 1.820629 1.404777 
1 1 1  -20   20    4 o   29.723   0.8195  855.494   46.741  837.835   61.331  879.961   72.193   29.361   1.0761   30.084   1.2362 -0.7228203 1.638925 
1 1 1  -20   20    5 o   62.242   0.6847  3764.37   82.725  3783.87  116.462  3744.52  117.527   62.406   0.9614   62.079   0.9753 0.3263283 1.369454 
1 1 1  -20   20    6 o   37.916   0.6851  1397.64   50.392  1362.87   71.903  1431.20   70.645   37.451   0.9890   38.381   0.9482 -0.9291763 1.370141 
1 1 1  -20   20    7 o   65.929   0.6944  4223.36   88.875  4217.80  125.537  4228.94  125.840   65.886   0.9816   65.973   0.9826 -0.8691406E-01 1.388889 
1 1 1  -20   20    8 o   77.002   0.7423  5761.84  110.958  5732.85  156.292  5791.31  157.553   76.807   1.0483   77.197   1.0514 -0.3903351 1.484672 
1 1 1  -20   20    9 o   71.036   0.7081  4901.02   97.594  4828.19  135.672  4979.11  140.491   70.490   0.9915   71.582   1.0111 -1.091583 1.416101 
1 1 1  -20   20   10 o   8.1838   1.6407   45.381   37.350 -58.8232   55.095  133.997   50.807   4.8633   2.2856   11.504   2.3544 -6.641145 3.281311 
1 1 1  -20   20   11 o   12.841   1.5354  163.488   37.284  184.112   53.609  144.167   51.886   13.737   2.0104   11.945   2.3213 1.791783 3.070802 
1 1 1  -20   20   12 o   37.814   0.9444  1410.41   57.990  1356.40  120.703  1426.61   66.121   37.311   1.6665   38.318   0.8889 -1.006191 1.888791 
1 1 1  -20   20   13 o   74.582   0.9325  5388.76  123.914  5476.85  226.489  5351.13  148.034   74.975   1.5562   74.190   1.0279 0.7857895 1.865028 
1 1 1  -20   20   14 o   22.766   1.3814  493.929   52.303  531.526  108.056  482.425   59.771   23.277   2.3914   22.255   1.3836 1.022747 2.762787 
1 1 1  -20   20   15 o   16.707   2.0402  325.703   51.504  205.917  104.959  363.696   59.110   14.108   3.7632   19.307   1.5772 -5.198724 4.080326 
1 1 1  -20   20   16 o   59.118   0.9144  3405.33  102.935  3407.14  162.156  3404.11  133.217   59.108   1.4133   59.127   1.1607 -0.1931381E-01 1.828784 
1 1 1  -20   20   17 o   36.945   0.9240  1367.52   61.189  1233.25  107.118  1432.55   74.550   35.526   1.5533   38.365   1.0010 -2.838421 1.847911 
1 1 1  -20   20   18 f   13.787   2.1258  192.491   47.199  192.880  103.147  192.388   53.082   13.580   3.7760   13.994   1.9540 -0.4138155 4.251608 
1 1 1  -20   20   19 o   23.741   1.2005  561.445   42.137  539.476   99.143  566.289   46.550   23.371   2.1853   24.111   0.9946 -0.7397537 2.401032 
1 1 1  -20   20   20 o   35.646   0.8778  1240.14   50.783  1245.88  106.863  1238.47   57.716   35.629   1.5451   35.663   0.8337 -0.3427124E-01 1.755687 
1 1 1  -20   20   21 o   15.147   1.7633  168.714   43.110  389.274   99.414  117.634   47.842   19.652   2.6060   10.642   2.3760 9.010274 3.526521 
1 1 1  -20   20   22 o   20.874   1.2747  385.196   44.065  524.741   96.022  347.970   49.595   22.921   2.1581   18.827   1.3571 4.094284 2.549347 
1 1 1  -20   20   23 o   32.271   0.9811  1048.29   52.836  978.396  104.629  1072.21   61.214   31.415   1.7158   33.128   0.9519 -1.713358 1.962127 
1 1 1  -20   20   24 o   10.896   2.3206   94.844   46.726  211.053  101.475   63.574   52.639   13.709   3.7188   8.0824   2.7768 5.626810 4.641166 
1 1 1  -20   20   25 o   15.090   1.9543  218.423   50.926  299.694   99.099  189.259   59.364   16.548   3.2008   13.632   2.2434 2.916232 3.908684 
1 1 1  -20   20   26 o   8.4278   2.1421   68.814   48.176  -4.3850   86.517  101.710   58.000   7.1976   3.1738   9.6579   2.8778 -2.460280 4.284245 
1 1 1  -20   21    1 o   62.282   0.6997  3760.88   84.457  3632.30  115.535  3908.43  123.769   61.143   0.9734   63.422   1.0053 -2.279259 1.399374 
1 1 1  -20   21    2 o   63.867   0.7073  3965.30   87.646  4083.84  123.460  3844.86  124.445   64.831   0.9810   62.903   1.0192 1.928150 1.414595 
1 1 1  -20   21    3 o   59.634   0.6776  3455.76   78.421  3500.36  110.323  3410.22  111.495   60.023   0.9469   59.244   0.9695 0.7793121 1.355157 
1 1 1  -20   21    4 o   68.511   0.7201  4559.98   95.702  4533.66  132.770  4588.45  138.072   68.307   1.0013   68.716   1.0351 -0.4088364 1.440171 
1 1 1  -20   21    5 o   41.168   0.6773  1649.86   54.015  1741.99   75.641  1554.01   77.159   42.345   0.9202   39.992   0.9939 2.353077 1.354503 
1 1 1  -20   21    6 o   39.802   0.6826  1540.44   52.699  1594.39   74.025  1485.00   75.042   40.510   0.9413   39.094   0.9888 1.416271 1.365263 
1 1 1  -20   21    7 o   33.186   0.7101  1070.15   45.743  1082.59   64.705  1057.73   64.676   33.379   0.9986   32.993   1.0099 0.3858261 1.420231 
1 1 1  -20   21    8 o   61.465   0.6689  3669.87   79.804  3608.93  111.974  3732.77  113.768   60.946   0.9465   61.983   0.9455 -1.036991 1.337850 
1 1 1  -20   21    9 o   25.292   0.8582  624.217   41.903  597.215   61.801  647.192   57.008   24.781   1.2847   25.802   1.1382 -1.021566 1.716391 
1 1 1  -20   21   10 o   25.934   0.8122  653.479   40.869  667.883   58.863  640.072   56.789   26.210   1.1570   25.659   1.1401 0.5508728 1.624329 
1 1 1  -20   21   11 o   22.849   0.8865  506.520   39.268  542.489   57.114  474.274   54.077   23.617   1.2458   22.082   1.2616 1.535313 1.773021 
1 1 1  -20   21   12 o   13.999   2.1262  231.189   45.693  133.455  105.577  253.715   50.686   11.862   3.9324   16.136   1.6181 -4.274279 4.252339 
1 1 1  -20   21   13 o   20.189   1.4919  369.568   46.812  448.669  109.223  351.768   51.812   21.372   2.6327   19.005   1.4044 2.367296 2.983838 
1 1 1  -20   21   14 o   45.836   0.9326  2032.58   76.687  2082.23  138.710  2010.73   92.032   46.207   1.5465   45.466   1.0428 0.7407951 1.865179 
1 1 1  -20   21   15 o   36.790   1.0061  1314.81   63.622  1330.03  123.234  1309.28   74.288   36.897   1.7206   36.684   1.0432 0.2130013 2.012142 
1 1 1  -20   21   16 o   36.348   0.9765  1304.05   61.512  1253.72  116.074  1323.71   72.535   35.814   1.6696   36.882   1.0131 -1.068188 1.952984 
1 1 1  -20   21   17 o   21.444   1.2631  406.144   47.346  556.402   94.737  356.120   54.663   23.795   2.0510   19.094   1.4748 4.701633 2.526196 
1 1 1  -20   21   18 o   32.901   1.0570  1088.45   58.484  997.585  114.089  1120.84   68.114   31.880   1.8436   33.922   1.0344 -2.042219 2.113946 
1 1 1  -20   21   19 o   52.659   0.8199  2691.84   72.056  2733.34  146.095  2678.50   82.832   52.855   1.4239   52.464   0.8134 0.3911552 1.639848 
1 1 1  -20   21   20 o   13.187   1.9752  183.639   39.298  168.076   92.459  187.070   43.415   12.581   3.6023   13.793   1.6215 -1.212115 3.950441 
1 1 1  -20   21   21 o   23.732   1.1907  522.237   43.331  612.874  101.970  502.265   47.867   24.796   2.1185   22.668   1.0878 2.128328 2.381460 
1 1 1  -20   21   22 o   12.632   2.0832  146.227   41.971  213.979   95.938  130.191   46.674   14.040   3.5252   11.225   2.2207 2.815360 4.166370 
1 1 1  -20   21   23 o   16.912   1.7310  311.752   44.064  262.658   92.523  326.154   50.113   15.632   3.1578   18.192   1.4191 -2.559785 3.462034 
1 1 1  -20   21   24 o   10.670   2.3841  104.977   47.570  164.040  103.261   89.065   53.596   12.148   3.8794   9.1931   2.7726 2.954437 4.768297 
1 1 1  -20   21   25 o   26.444   1.2062  687.146   53.663  722.791  107.975  675.453   61.842   26.704   2.0830   26.183   1.2167 0.5208149 2.412300 
1 1 1  -20   21   26 o   15.237   2.1116  300.207   52.033  164.416  102.846  346.922   60.323   11.879   3.8785   18.594   1.6713 -6.714396 4.223265 
1 1 1  -20   22    1 o   44.236   0.7005  1902.65   60.081  1930.38   83.323  1872.63   86.713   44.573   0.9630   43.899   1.0176 0.6745110 1.401006 
1 1 1  -20   22    2 o   87.813   1.0033  7455.37  161.295  7365.00  197.050  7638.87  280.786   87.044   1.1662   88.582   1.6329 -1.538696 2.006599 
1 1 1  -20   22    3 o   52.996   0.6814  2729.16   69.906  2733.99   95.438  2723.56  102.682   53.048   0.9268   52.943   0.9991 0.1054420 1.362794 
1 1 1  -20   22    4 o   34.151   0.7489  1136.58   49.461  1177.36   67.852  1090.33   72.252   34.809   1.0042   33.494   1.1113 1.315495 1.497767 
1 1 1  -20   22    5 o   13.359   1.7511  181.507   43.549  202.362   57.904  154.351   66.075   14.405   2.0708   12.313   2.8245 2.091274 3.502263 
1 1 1  -20   22    6 o   61.854   0.6862  3715.70   82.348  3667.69  114.338  3767.45  118.700   61.440   0.9587   62.268   0.9820 -0.8283768 1.372377 
1 1 1  -20   22    7 o   21.023   1.0619  430.491   43.277  421.576   62.485  438.710   59.998   20.812   1.5467   21.234   1.4556 -0.4221058 2.123886 
1 1 1  -20   22    8 o   36.503   0.6917  1293.15   48.969  1331.38   71.118  1258.69   67.528   37.015   0.9898   35.991   0.9665 1.023533 1.383427 
1 1 1  -20   22    9 o   71.067   0.7083  4908.32   97.669  4905.48  140.290  4910.99  136.057   71.046   1.0172   71.089   0.9860 -0.4270935E-01 1.416643 
1 1 1  -20   22   10 o   51.212   0.6363  2548.28   63.253  2547.56   89.772  2548.98   89.138   51.205   0.9032   51.219   0.8965 -0.1464462E-01 1.272583 
1 1 1  -20   22   11 o   7.5716   1.9107   45.868   35.895   64.584   52.662   29.628   49.056   8.3401   2.7779   6.8031   2.6242 1.537014 3.821421 
1 1 1  -20   22   12 o   15.242   2.0396  276.096   44.339  168.050  102.250  301.117   49.206   12.900   3.8159   17.584   1.4416 -4.684146 4.079109 
1 1 1  -20   22   13 o   71.066   0.9073  4913.19  114.598  4927.06  209.647  4907.28  136.853   71.093   1.5191   71.039   0.9924 0.5413818E-01 1.814563 
1 1 1  -20   22   14 f   43.488   0.9292  1818.12   72.164  1903.85  132.275  1781.80   86.108   44.178   1.5424   42.797   1.0365 1.380714 1.858322 
1 1 1  -20   22   15 o   32.629   1.1107  1072.01   57.991  981.434  121.524  1098.71   65.990   31.654   1.9778   33.605   1.0116 -1.951359 2.221458 
1 1 1  -20   22   16 o   61.195   0.9511  3663.56  109.947  3604.18  176.399  3701.28  140.599   60.753   1.4958   61.637   1.1751 -0.8843613 1.902143 
1 1 1  -20   22   17 o   31.862   0.9881  979.673   54.625  1017.45  104.886  965.615   63.988   32.236   1.6761   31.488   1.0469 0.7484970 1.976189 
1 1 1  -20   22   18 o   10.012   2.2587   82.657   36.453  123.351  103.738   76.925   38.936   11.356   3.8984   8.6678   2.2825 2.688669 4.517468 
1 1 1  -20   22   19 o   25.007   1.1493  590.153   41.378  650.306  104.109  578.869   45.093   25.641   2.0916   24.373   0.9531 1.268080 2.298526 
1 1 1  -20   22   20 o   16.385   1.6684  272.556   38.854  270.808   92.116  272.934   42.853   16.077   3.0635   16.692   1.3225 -0.6154308 3.336779 
1 1 1  -20   22   21 o   20.774   1.3133  388.573   41.732  494.903  100.227  366.272   45.900   22.211   2.3246   19.336   1.2229 2.874523 2.626651 
1 1 1  -20   22   22 o   17.312   1.7259  311.357   42.154  298.221   99.581  314.225   46.529   16.739   3.1810   17.885   1.3402 -1.146500 3.451771 
1 1 1  -20   22   23 o   20.974   1.3281  459.070   44.667  402.052   91.666  476.824   51.150   19.909   2.3718   22.039   1.1956 -2.129522 2.656141 
1 1 1  -20   22   24 o   19.060   1.5671  341.835   47.454  417.378  106.929  323.308   52.955   20.057   2.7465   18.064   1.5102 1.992844 3.134295 
1 1 1  -20   22   25 o   12.356   2.2438  172.912   48.917  143.613  106.709  180.707   55.041   11.385   3.9512   13.326   2.1277 -1.941111 4.487673 
1 1 1  -20   22   26 o   14.412   2.1082  189.487   51.258  336.357  105.548  144.157   58.637   17.334   3.2564   11.490   2.6785 5.844083 4.216444 
1 1 1  -20   23    1 o   26.492   0.9674  686.829   49.433  734.371   67.810  632.907   72.217   27.480   1.2712   25.503   1.4587 1.976755 1.934895 
1 1 1  -20   23    2 o   47.589   0.6763  2194.56   62.309  2124.91   84.558  2277.33   92.170   46.766   0.9315   48.412   0.9808 -1.645599 1.352611 
1 1 1  -20   23    3 o   39.391   0.7017  1513.20   53.459  1625.24   74.548  1394.59   76.704   40.899   0.9390   37.882   1.0431 3.017677 1.403457 
1 1 1  -20   23    4 o   59.211   0.6866  3405.86   78.829  3390.77  108.888  3422.48  114.268   59.075   0.9495   59.348   0.9919 -0.2727432 1.373113 
1 1 1  -20   23    5 o   35.397   0.7421  1224.79   50.691  1337.21   70.393  1103.69   73.057   37.097   0.9775   33.697   1.1169 3.400223 1.484250 
1 1 1  -20   23    6 o   30.616   0.8093  914.385   47.926  981.422   66.869  843.577   68.724   31.776   1.0841   29.456   1.2019 2.320721 1.618587 
1 1 1  -20   23    7 o   57.982   0.6766  3267.03   76.135  3280.40  106.480  3253.05  108.904   58.104   0.9441   57.860   0.9696 0.2444344 1.353289 
1 1 1  -20   23    8 o   46.498   0.6400  2100.08   57.734  2007.75   80.963  2195.61   82.350   45.457   0.9175   47.538   0.8924 -2.080597 1.279930 
1 1 1  -20   23    9 o   61.209   0.6669  3638.36   79.193  3577.97  109.812  3703.81  114.316   60.681   0.9323   61.737   0.9539 -1.056255 1.333788 
1 1 1  -20   23   10 o   65.863   0.6781  4211.17   86.651  4060.64  120.196  4374.04  125.032   64.640   0.9579   67.087   0.9601 -2.447884 1.356243 
1 1 1  -20   23   11 o   45.355   0.6059  1999.25   53.330  1979.13   76.047  2018.71   74.807   45.130   0.8681   45.580   0.8455 -0.4504128 1.211769 
1 1 1  -20   23   12 o   42.000   0.8692  1775.26   62.459  1591.47  118.076  1846.66   73.598   40.411   1.5052   43.589   0.8698 -3.178532 1.738460 
1 1 1  -20   23   13 o   42.786   0.8047  1776.61   58.541  1791.69  115.271  1771.36   67.957   42.881   1.3848   42.691   0.8200 0.1897621 1.609389 
1 1 1  -20   23   14 o   53.266   0.9080  2803.45   90.358  2611.23  146.785  2920.73  114.656   51.746   1.4613   54.786   1.0781 -3.040009 1.815974 
1 1 1  -20   23   15 o   28.651   1.1938  791.014   54.035  822.398  119.016  782.865   60.646   28.946   2.1182   28.357   1.1017 0.5883789 2.387556 
1 1 1  -20   23   16 o   28.959   1.1594  839.537   52.827  787.281  113.951  853.843   59.621   28.304   2.0740   29.614   1.0372 -1.309864 2.318867 
1 1 1  -20   23   17 o   39.508   0.8844  1498.18   62.317  1584.61  114.755  1462.03   74.214   40.265   1.4682   38.750   0.9866 1.514732 1.768883 
1 1 1  -20   23   18 o   35.158   0.9583  1217.53   46.784  1194.36  119.729  1221.70   50.825   34.874   1.7686   35.442   0.7387 -0.5678940 1.916687 
1 1 1  -20   23   19 o   31.788   0.9697  1002.42   44.937  969.737  107.852  1009.29   49.432   31.377   1.7707   32.199   0.7909 -0.8225574 1.939321 
1 1 1  -20   23   20 f   17.433   1.4845  282.656   39.228  335.121   93.785  271.531   43.187   18.224   2.6511   16.642   1.3368 1.581615 2.969072 
1 1 1  -20   23   21 o   10.304   2.0264  121.120   39.090   47.541   95.373  135.976   42.855   8.9014   3.5874   11.707   1.8857 -2.805789 4.052857 
1 1 1  -20   23   22 o   23.108   1.3394  559.956   44.574  488.189  105.128  575.685   49.217   21.956   2.4666   24.260   1.0451 -2.303818 2.678851 
1 1 1  -20   23   23 o   21.770   1.3269  500.777   43.547  428.870   96.353  519.235   48.817   20.525   2.4183   23.015   1.0927 -2.489866 2.653746 
1 1 1  -20   23   24 o   12.774   2.1541  135.310   44.450  275.114  102.922  103.256   49.283   15.716   3.4667   9.8323   2.5578 5.883976 4.308144 
1 1 1  -20   23   25 o   19.306   1.8246  404.392   50.787  370.569  114.369  412.699   56.681   18.226   3.3564   20.387   1.4323 -2.161158 3.649203 
1 1 1  -20   24    1 o   20.666   1.1482  413.504   45.733  396.957   60.638  435.331   69.646   20.193   1.5470   21.140   1.6972 -0.9470367 2.296410 
1 1 1  -20   24    2 o   31.392   0.8263  960.856   50.159  995.758   68.772  921.187   73.318   32.006   1.1069   30.779   1.2271 1.227108 1.652627 
1 1 1  -20   24    3 o   28.615   0.8606  801.539   47.475  862.411   65.156  732.645   69.316   29.785   1.1269   27.446   1.3011 2.339298 1.721241 
1 1 1  -20   24    4 o   62.901   0.6943  3844.46   84.764  3909.32  120.395  3780.70  119.361   63.427   0.9778   62.375   0.9858 1.052742 1.388510 
1 1 1  -20   24    5 o   39.806   0.7002  1538.68   54.034  1519.69   74.343  1559.96   78.672   39.546   0.9684   40.065   1.0116 -0.5184441 1.400403 
1 1 1  -20   24    6 o   20.911   1.0893  430.379   43.704  470.328   59.400  383.228   64.533   21.986   1.3918   19.835   1.6760 2.150862 2.178535 
1 1 1  -20   24    7 o   68.253   0.7062  4523.07   93.512  4728.16  134.440  4330.84  130.156   69.751   0.9929   66.755   1.0044 2.995934 1.412349 
1 1 1  -20   24    8 o   54.930   0.6536  2929.71   69.587  2894.48   95.545  2969.51  101.552   54.580   0.9018   55.280   0.9464 -0.6998520 1.307229 
1 1 1  -20   24    9 o   25.464   0.8343  632.852   41.090  680.333   57.347  582.755   58.905   26.452   1.1168   24.477   1.2398 1.975374 1.668616 
1 1 1  -20   24   10 o   38.801   0.6301  1464.54   47.396  1379.07   67.142  1549.44   66.915   37.670   0.9182   39.932   0.8633 -2.262154 1.260277 
1 1 1  -20   24   11 o   17.950   1.0412  314.934   35.465  406.608   51.644  233.124   48.787   20.438   1.3018   15.462   1.6254 4.975150 2.082424 
1 1 1  -20   24   12 o   66.996   0.8585  4318.48  102.357  4495.63  188.559  4244.47  121.878   67.921   1.4301   66.070   0.9503 1.850281 1.717073 
1 1 1  -20   24   13 o   29.998   1.0335  876.520   46.782  878.914  108.586  875.974   51.840   29.981   1.8658   30.016   0.8897 -0.3593636E-01 2.067086 
1 1 1  -20   24   14 o   38.329   0.9046  1435.22   61.049  1422.49  113.144  1440.45   72.510   38.178   1.5267   38.481   0.9707 -0.3033562 1.809170 
1 1 1  -20   24   15 o   46.563   0.9047  2067.76   74.601  2225.72  139.651  2004.69   88.248   47.740   1.5069   45.385   1.0017 2.354763 1.809477 
1 1 1  -20   24   16 o   15.681   1.9743  245.709   43.707  253.723  107.559  244.124   47.834   15.561   3.6276   15.800   1.5596 -0.2389565 3.948649 
1 1 1  -20   24   17 o   34.594   0.8146  1092.71   42.850  1289.15  102.331  1050.94   47.187   36.313   1.4517   32.875   0.7394 3.438446 1.629156 
1 1 1  -20   24   18 o   20.377   1.4816  456.091   37.421  351.856  102.194  472.231   40.214   18.736   2.8098   22.017   0.9409 -3.281162 2.963180 
1 1 1  -20   24   19 o   12.019   1.9731  189.164   37.417   60.016   98.032  211.186   40.481   9.3614   3.6814   14.676   1.4209 -5.314748 3.946140 
1 1 1  -20   24   20 o   30.517   1.0014  975.738   44.865  821.798  102.736  1012.01   49.872   28.806   1.8373   32.229   0.7972 -3.422785 2.002768 
1 1 1  -20   24   21 f   13.808   1.9401  181.820   39.639  223.873   96.483  173.280   43.478   14.375   3.4922   13.242   1.6914 1.132948 3.880280 
1 1 1  -20   24   22 o   27.106   1.1677  748.716   45.570  695.905  109.563  759.763   50.110   26.324   2.1441   27.888   0.9256 -1.564276 2.335376 
1 1 1  -20   24   23 o   16.920   1.4214  271.701   39.292  318.339   84.530  258.847   44.378   17.649   2.4673   16.191   1.4120 1.458183 2.842756 
1 1 1  -20   24   24 o   19.060   1.3656  359.131   50.524   0.0000   0.0000  359.131   50.524  ?   ?    19.060   1.3656      ?      ? 
1 1 1  -20   24   25 o   22.430   1.4683  525.506   50.511  491.232  111.363  534.384   56.677   21.613   2.6544   23.248   1.2559 -1.635368 2.936521 
1 1 1  -20   25    1 o   27.654   0.8961  738.114   47.919  668.956   64.607  822.684   71.444   26.225   1.2691   29.083   1.2655 -2.857803 1.792243 
1 1 1  -20   25    2 o   24.006   0.9787  559.215   45.545  524.944   62.615  597.720   66.370   23.227   1.3887   24.785   1.3795 -1.558235 1.957422 
1 1 1  -20   25    3 o   25.569   0.9170  635.901   45.514  629.415   64.105  642.494   64.632   25.438   1.2982   25.701   1.2955 -0.2630501 1.834031 
1 1 1  -20   25    4 o   76.667   0.7600  5714.80  113.064  5768.66  158.182  5658.54  161.667   77.038   1.0578   76.296   1.0916 0.7424316 1.520001 
1 1 1  -20   25    5 o   41.651   0.6759  1684.06   54.273  1671.48   72.513  1700.08   81.838   41.477   0.9006   41.824   1.0080 -0.3477745 1.351746 
1 1 1  -20   25    6 o   16.682   1.2836  272.259   41.404  295.349   57.988  248.246   59.137   17.410   1.7158   15.954   1.9095 1.455964 2.567153 
1 1 1  -20   25    7 o   8.9310   2.0248   74.741   39.880   59.825   53.799   92.935   59.417   8.1737   2.8073   9.6883   2.9187 -1.514588 4.049654 
1 1 1  -20   25    8 o   26.037   0.8579  662.572   43.151  711.067   59.739  609.665   62.397   27.042   1.1380   25.033   1.2841 2.008640 1.715798 
1 1 1  -20   25    9 o   70.886   0.7179  4885.16   98.773  4942.29  139.507  4827.73  139.866   71.302   1.0079   70.469   1.0225 0.8328552 1.435734 
1 1 1  -20   25   10 o   35.318   0.6784  1212.32   46.471  1205.40   64.336  1219.86   67.196   35.214   0.9412   35.423   0.9772 -0.2084770 1.356767 
1 1 1  -20   25   11 o   5.7234   1.7372  -3.0562   34.669  -6.7781   48.758   0.7500   49.306   5.5999   2.4274   5.8468   2.4859 -0.2469087 3.474428 
1 1 1  -20   25   12 o   40.490   0.8982  1634.20   58.125  1530.39  122.820  1664.16   65.981   39.602   1.5976   41.378   0.8215 -1.775841 1.796459 
1 1 1  -20   25   13 o   9.1982   2.1990   80.828   43.420   42.699   92.368   91.643   49.194   8.9040   3.5506   9.4925   2.5953 -0.5884418 4.397947 
1 1 1  -20   25   14 o   52.581   0.8879  2665.19   85.700  2783.22  149.013  2606.85  104.758   53.408   1.4373   51.753   1.0428 1.655247 1.775726 
1 1 1  -20   25   15 o   21.640   1.4690  489.064   44.994  418.256  108.285  503.840   49.467   20.539   2.7160   22.742   1.1205 -2.203619 2.938071 
1 1 1  -20   25   16 o   32.510   1.0410  1008.06   51.772  1074.04  119.742  992.888   57.416   33.080   1.8647   31.940   0.9261 1.140156 2.082032 
1 1 1  -20   25   17 o   25.666   1.0695  646.939   36.864  641.668   98.423  647.799   39.758   25.527   1.9862   25.805   0.7937 -0.2776527 2.138952 
1 1 1  -20   25   18 o   27.069   1.1112  735.879   38.690  696.803  107.293  741.720   41.481   26.532   2.0832   27.606   0.7741 -1.074068 2.222358 
1 1 1  -20   25   19 o   29.087   0.9960  785.263   40.440  896.367  106.604  766.588   43.706   30.120   1.8233   28.055   0.8026 2.065248 1.992082 
1 1 1  -20   25   20 o   24.131   1.1651  571.788   38.540  578.904  100.674  570.566   41.718   24.076   2.1541   24.186   0.8886 -0.1097946 2.330127 
1 1 1  -20   25   21 o   15.674   1.6831  226.149   36.796  290.678   94.958  214.748   39.914   16.569   3.0652   14.779   1.3913 1.790880 3.366186 
1 1 1  -20   25   22 o   12.014   2.1034  166.739   38.737  113.693  104.034  175.278   41.739   10.726   3.8837   13.301   1.6166 -2.574596 4.206723 
1 1 1  -20   25   23 f   18.439   1.4894  319.347   41.569  383.452   99.535  305.803   45.750   19.269   2.6610   17.608   1.3385 1.660818 2.978714 
1 1 1  -20   25   24 o   17.995   1.3567  274.624   41.259  442.469   89.153  228.879   46.543   20.830   2.2049   15.160   1.5816 5.670122 2.713466 
1 1 1  -20   25   25 o   7.1186   2.1671   10.744   45.955   34.799   97.390   3.8539   52.123   8.3434   3.5177   5.8937   2.5320 2.449636 4.334198 
1 1 1  -20   26    1 o   37.513   0.7258  1363.15   52.564  1325.01   70.325  1411.44   79.126   36.923   0.9812   38.103   1.0698 -1.180275 1.451608 
1 1 1  -20   26    2 f   35.517   0.7518  1224.01   51.773  1146.07   71.636  1309.24   74.908   34.335   1.0748   36.699   1.0515 -2.364151 1.503616 
1 1 1  -20   26    3 f   20.290   1.1345  408.647   43.801  457.086   58.861  348.543   65.568   21.672   1.3992   18.909   1.7864 2.763321 2.269080 
1 1 1  -20   26    4 o   45.258   0.6760  1990.84   59.368  2004.74   83.111  1976.35   84.834   45.420   0.9426   45.096   0.9691 0.3243523 1.351941 
1 1 1  -20   26    5 o   53.690   0.6653  2801.14   69.326  2809.08   99.136  2793.54   96.982   53.764   0.9499   53.616   0.9318 0.1476936 1.330634 
1 1 1  -20   26    6 o   46.063   0.6655  2061.20   59.485  2031.52   82.848  2092.78   85.461   45.722   0.9335   46.405   0.9487 -0.6832695 1.330947 
1 1 1  -20   26    7 o   21.936   0.9937  466.918   42.223  426.789   58.054  511.984   61.522   20.938   1.4284   22.934   1.3819 -1.996964 1.987423 
1 1 1  -20   26    8 o   24.624   0.8564  592.393   40.750  553.914   59.231  626.973   56.149   23.858   1.2789   25.390   1.1393 -1.531492 1.712768 
1 1 1  -20   26    9 o   11.318   1.7545  127.212   39.194   71.640   53.579  191.182   57.485   8.6563   2.7976   13.980   2.1182 -5.323990 3.509037 
1 1 1  -20   26   10 o   7.3181   1.8522   32.498   37.609   80.720   52.350 -18.9349   54.065   9.0297   2.7440   5.6066   2.4887 3.423111 3.704427 
1 1 1  -20   26   11 o   25.738   1.2178  583.950   48.269  754.576  115.551  547.883   53.126   27.750   2.1451   23.726   1.1535 4.024134 2.435551 
1 1 1  -20   26   12 o   24.431   1.2941  583.609   46.470  583.633  111.371  583.604   51.134   24.372   2.3541   24.490   1.0756 -0.1178322 2.588176 
1 1 1  -20   26   13 o   31.900   1.0141  947.493   51.815  1073.96  114.341  914.812   58.125   33.136   1.7776   30.665   0.9765 2.470800 2.028173 
1 1 1  -20   26   14 o   36.410   0.9374  1274.08   55.748  1328.24  117.377  1258.31   63.349   36.855   1.6407   35.965   0.9074 0.8904076 1.874856 
1 1 1  -20   26   15 o   21.719   1.3330  446.433   41.511  487.834  104.779  438.725   45.210   22.216   2.4296   21.221   1.0975 0.9953098 2.665988 
1 1 1  -20   26   16 o   10.813   2.1798   92.801   30.320  153.781  107.618   87.543   31.601   12.337   3.9625   9.2887   1.8177 3.047972 4.359547 
1 1 1  -20   26   17 o   21.168   1.1800  392.658   33.394  508.631   95.400  376.463   35.650   22.677   2.1672   19.660   0.9342 3.017031 2.359983 
1 1 1  -20   26   18 o   14.480   1.9813  234.899   34.020  188.107  102.115  240.741   36.082   13.264   3.7816   15.695   1.1843 -2.430323 3.962667 
1 1 1  -20   26   19 o   29.433   0.9916  850.375   40.658  850.553  104.013  850.343   44.173   29.318   1.8276   29.548   0.7701 -0.2300167 1.983256 
1 1 1  -20   26   20 f   16.793   1.7253  278.279   36.518  301.029  101.833  274.921   39.120   16.832   3.2341   16.754   1.2028 0.7791901E-01 3.450519 
1 1 1  -20   26   21 o   7.4623   1.9831   5.2109   34.242  113.232   79.389 -19.4773   37.954   10.442   3.4076   4.4829   2.0296 5.958827 3.966204 
1 1 1  -20   26   22 o   21.105   1.3925  416.085   39.812  490.729  109.012  404.597   42.766   21.892   2.5652   20.318   1.0843 1.574291 2.784988 
1 1 1  -20   26   23 o   12.906   2.0709  158.842   40.337  210.462  100.372  148.900   44.050   13.623   3.6998   12.188   1.8618 1.435046 4.141874 
1 1 1  -20   26   24 o   10.128   2.1618   95.748   39.270  148.992   86.905   82.087   44.020   11.486   3.5438   8.7701   2.4768 2.715634 4.323585 
1 1 1  -20   27    1 o   36.680   0.7485  1304.61   53.210  1211.29   73.256  1408.84   77.417   35.295   1.0692   38.066   1.0477 -2.770885 1.496969 
1 1 1  -20   27    2 o   31.896   0.7918  989.648   48.999  1000.46   68.446  978.282   70.178   32.076   1.0993   31.716   1.1399 0.3597336 1.583564 
1 1 1  -20   27    3 o   37.023   0.7209  1332.28   51.806  1353.09   73.731  1311.98   72.808   37.308   1.0181   36.737   1.0210 0.5711861 1.441826 
1 1 1  -20   27    4 o   52.918   0.6722  2721.48   69.028  2710.91   96.406  2732.59   98.882   52.814   0.9404   53.023   0.9607 -0.2092400 1.344325 
1 1 1  -20   27    5 o   58.823   0.6818  3360.51   77.816  3268.53  108.177  3459.15  112.021   57.989   0.9610   59.656   0.9673 -1.666428 1.363553 
1 1 1  -20   27    6 o   31.467   0.7614  962.690   46.444  960.084   63.938  965.601   67.578   31.424   1.0482   31.511   1.1048 -0.8709335E-01 1.522900 
1 1 1  -20   27    7 o   54.555   0.6473  2892.87   68.535  2886.30   97.869  2899.20   96.005   54.493   0.9252   54.616   0.9055 -0.1232681 1.294609 
1 1 1  -20   27    8 o   10.112   1.9401  103.951   39.157   94.169   55.757  113.471   55.004   9.6807   2.8049   10.544   2.6813 -0.8631411 3.880270 
1 1 1  -20   27    9 o   37.319   0.6649  1351.12   48.112  1293.91   66.105  1415.57   70.158   36.481   0.9335   38.157   0.9472 -1.675591 1.329872 
1 1 1  -20   27   10 o   11.093   1.7265  125.600   36.203  137.872   51.421  113.538   50.978   11.648   2.3552   10.539   2.5250 1.109022 3.452964 
1 1 1  -20   27   11 o   42.507   0.9297  1773.66   63.617  1736.61  134.615  1784.31   72.186   42.174   1.6443   42.841   0.8680 -0.6668358 1.859358 
1 1 1  -20   27   12 o   25.970   1.3718  741.531   49.693  546.320  116.823  784.656   54.909   23.541   2.5564   28.399   0.9960 -4.857830 2.743592 
1 1 1  -20   27   13 o   66.244   0.9866  4316.58  124.936  4059.18  190.921  4509.35  165.225   64.470   1.5256   68.019   1.2513 -3.549797 1.973132 
1 1 1  -20   27   14 o   24.579   1.1613  601.136   44.834  573.830   97.378  608.482   50.505   24.160   2.0764   24.998   1.0408 -0.8383522 2.322647 
1 1 1  -20   27   15 o   24.401   1.1713  577.820   32.235  589.637  105.860  576.613   33.842   24.449   2.2305   24.353   0.7159 0.9583664E-01 2.342546 
1 1 1  -20   27   16 o   8.1980   2.1309   54.541   29.556   19.647  109.311   57.294   30.700   8.8917   3.7366   7.5044   2.0496 1.387309 4.261830 
1 1 1  -20   27   17 o   38.887   0.8096  1412.00   44.624  1572.87  114.927  1383.44   48.423   40.058   1.4780   37.717   0.6614 2.341724 1.619194 
1 1 1  -20   27   18 o   60.374   0.8391  3515.42   83.645  3657.96  173.232  3472.08   95.518   61.045   1.4619   59.703   0.8242 1.342365 1.678202 
1 1 1  -20   27   19 o   15.534   1.8322  266.005   32.598  224.630   97.081  271.263   34.607   14.409   3.5046   16.659   1.0702 -2.250158 3.664346 
1 1 1  -20   27   20 o   24.891   1.1856  590.109   37.965  642.839  108.804  582.799   40.511   25.336   2.2123   24.447   0.8537 0.8896923 2.371269 
1 1 1  -20   27   21 o   8.0753   1.9851   66.675   34.905 -27.2139   97.761   80.392   37.367   7.3779   3.3058   8.7727   2.1986 -1.394772 3.970166 
1 1 1  -20   27   22 o   7.9939   2.1722   50.945   35.511   31.509  104.911   53.460   37.739   8.6866   3.6561   7.3012   2.3467 1.385434 4.344403 
1 1 1  -20   27   23 o   38.885   0.8960  1404.46   51.816  1630.08  126.565  1359.04   56.793   40.464   1.6113   37.306   0.7843 3.158131 1.792026 
1 1 1  -20   27   24 o   17.345   1.5319  250.761   40.325  412.103  102.279  221.065   43.879   19.799   2.6612   14.892   1.5179 4.906880 3.063704 
1 1 1  -20   28    1 o   91.825   0.8670  8206.15  154.533  8223.99  217.124  8187.83  219.990   91.928   1.2167   91.722   1.2356 0.2060699 1.734090 
1 1 1  -20   28    2 o   67.234   0.7223  4395.13   94.231  4386.42  131.343  4404.38  135.268   67.167   1.0074   67.301   1.0354 -0.1340179 1.444594 
1 1 1  -20   28    3 o   46.412   0.6846  2096.71   61.593  2167.80   85.927  2021.57   88.335   47.224   0.9373   45.599   0.9980 1.625122 1.369135 
1 1 1  -20   28    4 o   32.920   0.7493  1050.76   47.803  1001.82   65.322  1107.19   70.144   32.097   1.0484   33.742   1.0709 -1.644501 1.498663 
1 1 1  -20   28    5 o   73.997   0.7394  5324.26  106.190  5306.51  148.633  5342.76  151.766   73.872   1.0365   74.122   1.0548 -0.2494431 1.478820 
1 1 1  -20   28    6 o   19.500   1.1043  374.375   41.366  422.740   57.371  322.008   59.698   20.832   1.4187   18.168   1.6928 2.664459 2.208655 
1 1 1  -20   28    7 f   12.624   1.6284  161.210   38.562  179.742   52.474  139.451   56.859   13.558   1.9938   11.690   2.5751 1.867234 3.256778 
1 1 1  -20   28    8 o   41.460   0.6413  1672.16   51.533  1690.89   71.132  1651.47   74.762   41.707   0.8786   41.214   0.9345 0.4931183 1.282658 
1 1 1  -20   28    9 o   22.869   0.8413  508.018   37.208  572.176   53.920  449.696   51.409   24.247   1.1456   21.491   1.2323 2.755835 1.682563 
1 1 1  -20   28   10 o   30.320   0.6879  895.107   40.285  782.923   56.308  1012.73   57.658   28.369   1.0225   32.272   0.9204 -3.903055 1.375721 
1 1 1  -20   28   11 o   54.681   0.8698  2945.47   82.345  2838.90  155.775  2986.79   97.006   53.941   1.4877   55.420   0.9017 -1.478786 1.739627 
1 1 1  -20   28   12 o   28.807   1.1718  805.293   47.876  819.901  120.507  802.555   52.170   28.891   2.1487   28.723   0.9357 0.1683788 2.343625 
1 1 1  -20   28   13 o   32.836   1.0696  1033.61   55.841  1088.43  122.323  1019.19   62.763   33.315   1.8915   32.358   0.9992 0.9567719 2.139206 
1 1 1  -20   28   14 o   20.492   1.3271  377.751   42.335  471.833   99.099  356.749   46.822   21.860   2.3354   19.124   1.2613 2.736486 2.654188 
1 1 1  -20   28   15 o   26.122   1.0207  601.489   32.647  756.080  102.768  584.137   34.431   27.734   1.9089   24.510   0.7237 3.224024 2.041453 
1 1 1  -20   28   16 o   25.161   1.1555  528.085   30.663  741.707  116.802  512.273   31.777   27.372   2.1982   22.950   0.7133 4.422703 2.311060 
1 1 1  -20   28   17 o   13.743   1.8077  172.818   26.404  218.829   94.865  168.954   27.490   14.330   3.4514   13.156   1.0764 1.174236 3.615330 
1 1 1  -20   28   18 o   40.986   0.8575  1588.53   47.254  1723.17  128.816  1567.59   50.795   41.833   1.5863   40.139   0.6519 1.693699 1.715041 
1 1 1  -20   28   19 o   38.895   0.8699  1455.91   56.728  1534.76  115.198  1430.67   65.178   39.488   1.5028   38.301   0.8766 1.186886 1.739837 
1 1 1  -20   28   20 o   15.786   1.9269  289.414   30.766  221.233  104.130  295.935   32.204   14.165   3.7340   17.406   0.9531 -3.241533 3.853762 
1 1 1  -20   28   21 o   12.211   1.8816  175.817   32.039  121.223   85.202  184.807   34.576   10.718   3.5317   13.705   1.2997 -2.987587 3.763213 
1 1 1  -20   28   22 o   6.7121   2.0626   8.0789   34.671   21.717   97.959   6.1258   37.071   8.2424   3.5041   5.1817   2.1767 3.060736 4.125165 
1 1 1  -20   28   23 o   6.1751   1.8858   12.465   35.315 -127.0309  104.543   30.434   37.521   6.1986   2.9787   6.1516   2.3135 0.4704094E-01 3.771589 
1 1 1  -20   28   24 o   30.092   1.0592  899.647   45.609  907.360  112.648  898.135   49.880   29.897   1.9410   30.287   0.8484 -0.3897228 2.118315 
1 1 1  -20   29    1 o   58.091   0.6835  3282.71   77.032  3329.76  107.710  3233.44  110.213   58.519   0.9482   57.663   0.9846 0.8566933 1.366952 
1 1 1  -20   29    2 o   13.985   1.6676  199.377   43.238  230.742   58.754  162.322   63.861   15.361   1.9705   12.610   2.6908 2.750361 3.335156 
1 1 1  -20   29    3 o   71.827   0.7259  5013.08  101.148  4900.26  140.048  5136.10  146.242   70.984   1.0164   72.669   1.0367 -1.685181 1.451817 
1 1 1  -20   29    4 o   29.905   0.7850  873.245   45.400  931.566   63.100  810.653   65.370   30.948   1.0504   28.862   1.1668 2.085369 1.569906 
1 1 1  -20   29    5 o   20.706   1.0591  416.917   42.279  409.539   56.366  426.409   63.930   20.501   1.4163   20.910   1.5751 -0.4083500 2.118205 
1 1 1  -20   29    6 o   49.660   0.6462  2398.39   62.231  2415.55   86.266  2379.77   89.860   49.848   0.8915   49.473   0.9357 0.3745461 1.292408 
1 1 1  -20   29    7 o   34.552   0.6812  1160.96   45.670  1162.76   63.794  1159.07   65.411   34.580   0.9504   34.523   0.9761 0.5664825E-01 1.362313 
1 1 1  -20   29    8 o   21.067   0.9145  431.260   37.336  398.158   51.532  467.838   54.169   20.217   1.3131   21.917   1.2732 -1.700167 1.829030 
1 1 1  -20   29    9 o   16.879   1.0809  276.846   35.248  267.152   47.261  288.999   52.914   16.551   1.4710   17.207   1.5841 -0.6568394 2.161798 
1 1 1  -20   29   10 o   17.507   1.8635  353.915   45.131  239.488  100.744  382.644   50.480   15.200   3.4884   19.815   1.3124 -4.615297 3.727063 
1 1 1  -20   29   11 o   49.211   0.8391  2323.03   69.939  2433.04  139.791  2286.30   80.776   49.934   1.4422   48.488   0.8582 1.445309 1.678210 
1 1 1  -20   29   12 o   34.551   1.0357  1221.87   52.177  1081.12  122.396  1253.13   57.680   33.205   1.8989   35.897   0.8278 -2.692146 2.071476 
1 1 1  -20   29   13 o   30.983   1.0917  927.259   48.598  955.636  120.731  921.773   53.089   31.186   1.9943   30.779   0.8885 0.4063168 2.183318 
1 1 1  -20   29   14 o   18.623   1.4002  300.470   26.058  391.789  103.442  294.283   26.926   19.851   2.6844   17.394   0.7975 2.457335 2.800323 
1 1 1  -20   29   15 o   8.7769   3.5085   43.697   90.412   43.697   90.412   0.0000   0.0000   8.7769   3.5085  ?   ?       ?      ? 
1 1 1  -20   29   16 o   31.642   1.9723  989.253  121.144  989.253  121.144   0.0000   0.0000   31.642   1.9723  ?   ?       ?      ? 
1 1 1  -20   29   17 o   39.476   1.4686  1529.92  112.537  1529.92  112.537   0.0000   0.0000   39.476   1.4686  ?   ?       ?      ? 
1 1 1  -20   29   18 o   17.912   3.2637  340.155  109.299  340.155  109.299   0.0000   0.0000   17.912   3.2637  ?   ?       ?      ? 
1 1 1  -20   29   19 o   12.309   3.5735  163.330   90.420  163.330   90.420   0.0000   0.0000   12.309   3.5735  ?   ?       ?      ? 
1 1 1  -20   29   20 o   11.852   1.9398   79.259   25.697  267.737  102.468   66.610   26.546   15.662   3.4625   8.0435   1.7499 7.618054 3.879569 
1 1 1  -20   29   21 o   6.6539   1.9426   24.277   28.073   13.231   86.969   25.562   29.661   7.7086   3.2900   5.5991   2.0665 2.109434 3.885187 
1 1 1  -20   29   22 o   19.622   1.4145  380.922   33.790  397.011  101.373  378.911   35.839   19.568   2.6688   19.676   0.9384 -0.1077232 2.828963 
1 1 1  -20   29   23 o   26.746   1.0908  600.018   38.046  880.110  114.537  565.279   40.337   29.460   2.0029   24.033   0.8646 5.426826 2.181519 
1 1 1  -20   30    1 o   31.393   0.8135  958.599   49.540  943.676   68.566  974.896   71.655   31.138   1.1344   31.647   1.1664 -0.5084076 1.627047 
1 1 1  -20   30    2 o   32.545   0.7853  1030.46   49.605  1015.97   69.422  1045.56   70.905   32.312   1.1068   32.779   1.1144 -0.4666290 1.570603 
1 1 1  -20   30    3 o   45.602   0.6761  2024.10   59.761  2062.10   82.775  1982.73   86.370   46.052   0.9259   45.152   0.9854 0.9003410 1.352199 
1 1 1  -20   30    4 o   14.849   1.5601  222.112   42.193  150.738   58.301  300.605   61.140   12.158   2.5516   17.540   1.7957 -5.381468 3.120154 
1 1 1  -20   30    5 o   20.596   1.0575  415.306   42.101  450.208   58.821  378.644   60.285   21.492   1.4099   19.700   1.5765 1.792360 2.114961 
1 1 1  -20   30    6 o   47.239   0.6339  2167.26   58.074  2220.16   84.395  2119.69   80.036   47.785   0.9098   46.693   0.8830 1.091331 1.267875 
1 1 1  -20   30    7 o   35.402   0.6699  1219.83   45.994  1191.86   66.057  1246.15   64.079   35.006   0.9721   35.798   0.9221 -0.7920723 1.339890 
1 1 1  -20   30    8 o   25.932   0.7862  654.706   39.508  705.326   56.317  605.652   55.440   26.921   1.0776   24.943   1.1450 1.978920 1.572387 
1 1 1  -20   30    9 o   23.068   0.8168  516.662   36.233  425.482   49.719  619.931   52.912   20.899   1.2255   25.237   1.0801 -4.337782 1.633540 
1 1 1  -20   30   10 o   33.514   0.6150  1084.63   39.869  993.899   53.773  1195.39   59.414   31.969   0.8665   35.060   0.8730 -3.090578 1.230021 
1 1 1  -20   30   11 o   23.335   1.2278  569.886   42.537  476.026   95.914  592.867   47.460   21.989   2.2470   24.681   0.9906 -2.691578 2.455695 
1 1 1  -20   30   12 o   25.117   1.2276  587.483   39.620  659.885  114.849  577.703   42.211   25.867   2.2872   24.367   0.8924 1.500158 2.455173 
1 1 1  -20   30   13 o   24.597   2.4350  598.733  116.265  598.733  116.265   0.0000   0.0000   24.597   2.4350  ?   ?       ?      ? 
1 1 1  -20   30   14 o   41.814   1.5812  1712.52  128.344  1712.52  128.344   0.0000   0.0000   41.814   1.5812  ?   ?       ?      ? 
1 1 1  -20   30   15 o   7.5270   3.3222 -20.5973   95.025 -20.5973   95.025   0.0000   0.0000   7.5270   3.3222  ?   ?       ?      ? 
1 1 1  -20   30   16 o   40.779   1.7072  1637.77  135.143  1637.77  135.143   0.0000   0.0000   40.779   1.7072  ?   ?       ?      ? 
1 1 1  -20   30   17 o   10.275   3.5616  102.930   86.691  102.930   86.691   0.0000   0.0000   10.275   3.5616  ?   ?       ?      ? 
1 1 1  -20   30   18 o   35.009   1.7396  1212.03  118.224  1212.03  118.224   0.0000   0.0000   35.009   1.7396  ?   ?       ?      ? 
1 1 1  -20   30   19 o   19.555   2.5418  387.699   96.485  387.699   96.485   0.0000   0.0000   19.555   2.5418  ?   ?       ?      ? 
1 1 1  -20   30   20 o   8.2341   3.5444   10.838  102.508   10.838  102.508   0.0000   0.0000   8.2341   3.5444  ?   ?       ?      ? 
1 1 1  -20   30   21 o   8.2835   3.4936   26.040   96.115   26.040   96.115   0.0000   0.0000   8.2835   3.4936  ?   ?       ?      ? 
1 1 1  -20   30   22 o   15.101   1.4671  175.586   28.403  316.958   90.572  160.167   29.911   17.449   2.6739   12.752   1.2084 4.697372 2.934280 
1 1 1  -20   30   23 o   8.8681   2.1105   76.861   32.153   65.842  100.549   78.116   33.935   9.1420   3.6838   8.5941   2.0608 0.5479021 4.221058 
1 1 1  -20   31    1 o   20.347   1.0796  403.063   42.443  351.594   58.562  460.014   61.601   18.977   1.5897   21.717   1.4613 -2.739483 2.159271 
1 1 1  -20   31    2 o   43.605   0.6799  1846.37   57.494  1915.77   83.584  1784.04   79.211   44.380   0.9702   42.829   0.9528 1.551323 1.359801 
1 1 1  -20   31    3 o   37.708   0.7028  1383.30   51.429  1390.92   71.940  1375.34   73.551   37.815   0.9800   37.600   1.0077 0.2146645 1.405671 
1 1 1  -20   31    4 o   16.868   1.3123  277.934   42.935  263.191   59.593  293.846   61.913   16.403   1.8716   17.334   1.8400 -0.9312019 2.624603 
1 1 1  -20   31    5 o   36.877   0.6933  1321.34   49.600  1262.91   68.949  1384.01   71.407   36.032   0.9858   37.721   0.9752 -1.688824 1.386623 
1 1 1  -20   31    6 o   53.014   0.6573  2732.95   67.636  2703.07   94.976  2763.70   96.343   52.720   0.9280   53.308   0.9310 -0.5876160 1.314569 
1 1 1  -20   31    7 o   26.642   0.8379  687.027   43.200  625.394   58.599  760.400   63.937   25.341   1.1912   27.944   1.1787 -2.602661 1.675832 
1 1 1  -20   31    8 o   37.490   0.6397  1368.07   46.515  1319.72   66.270  1415.03   65.306   36.835   0.9268   38.145   0.8820 -1.310730 1.279387 
1 1 1  -20   31    9 o   15.519   1.1062  233.943   33.188  265.784   48.835  206.618   45.239   16.497   1.5250   14.541   1.6028 1.956326 2.212340 
1 1 1  -20   31   10 f   32.374   0.6164  1019.38   38.691  954.833   54.255  1086.17   55.191   31.329   0.8921   33.418   0.8508 -2.088663 1.232775 
1 1 1  -20   31   11 o   25.269   1.0794  568.213   38.827  709.980  102.064  544.226   41.983   26.889   1.9554   23.649   0.9145 3.239544 2.158708 
1 1 1  -20   31   12 o   39.475   1.1954  1537.82   90.899  1663.63  124.721  1395.28  132.755   41.238   1.5581   37.713   1.8134 3.524632 2.390814 
1 1 1  -20   31   13 o   8.6935   3.7373   1.1156  113.696   1.1156  113.696   0.0000   0.0000   8.6935   3.7373  ?   ?       ?      ? 
1 1 1  -20   31   14 o   7.9421   3.4946 -19.0947  104.364 -19.0947  104.364   0.0000   0.0000   7.9421   3.4946  ?   ?       ?      ? 
1 1 1  -20   31   15 o   21.204   2.3870  448.402   98.251  448.402   98.251   0.0000   0.0000   21.204   2.3870  ?   ?       ?      ? 
1 1 1  -20   31   16 o   24.637   2.4550  608.613  117.407  608.613  117.407   0.0000   0.0000   24.637   2.4550  ?   ?       ?      ? 
1 1 1  -20   31   17 o   24.374   1.9898  590.796   94.144  590.796   94.144   0.0000   0.0000   24.374   1.9898  ?   ?       ?      ? 
1 1 1  -20   31   18 o   26.929   2.1732  725.237  113.604  725.237  113.604   0.0000   0.0000   26.929   2.1732  ?   ?       ?      ? 
1 1 1  -20   31   19 o   11.000   3.4281  128.966   81.091  128.966   81.091   0.0000   0.0000   11.000   3.4281  ?   ?       ?      ? 
1 1 1  -20   31   20 o   19.864   2.6868  406.366  103.604  406.366  103.604   0.0000   0.0000   19.864   2.6868  ?   ?       ?      ? 
1 1 1  -20   31   21 o   24.581   2.2511  614.430  107.413  614.430  107.413   0.0000   0.0000   24.581   2.2511  ?   ?       ?      ? 
1 1 1  -20   31   22 f   29.664   1.7074  881.044   98.319  881.044   98.319   0.0000   0.0000   29.664   1.7074  ?   ?       ?      ? 
1 1 1  -20   31   23 o   6.2528   2.9696 -93.4496   97.631 -93.4496   97.631   0.0000   0.0000   6.2528   2.9696  ?   ?       ?      ? 
1 1 1  -20   32    1 o   16.019   1.5520  257.375   45.152  173.341   61.886  353.022   66.024   13.043   2.5355   18.994   1.7907 -5.950624 3.104096 
1 1 1  -20   32    2 o   8.3647   1.9729   57.113   42.269  107.491   57.478  -2.2169   62.377   10.259   2.8055   6.4703   2.7745 3.788929 3.945714 
1 1 1  -20   32    3 o   22.058   1.0464  478.280   44.349  553.527   62.505  401.993   62.935   23.828   1.3513   20.288   1.5981 3.539829 2.092834 
1 1 1  -20   32    4 o   25.923   0.8828  649.670   44.205  605.831   59.054  705.537   66.666   24.938   1.2199   26.908   1.2763 -1.969358 1.765551 
1 1 1  -20   32    5 o   58.977   0.6808  3383.88   77.923  3391.41  109.276  3376.08  111.146   59.045   0.9534   58.909   0.9720 0.1361351 1.361502 
1 1 1  -20   32    6 o   29.725   0.7684  856.600   44.243  791.341   60.460  931.834   64.916   28.511   1.0924   30.939   1.0809 -2.428482 1.536792 
1 1 1  -20   32    7 o   57.591   0.6559  3224.30   73.265  3278.46  106.062  3174.87  101.324   58.051   0.9412   57.130   0.9136 0.9206467 1.311727 
1 1 1  -20   32    8 o   33.733   0.6564  1107.55   42.961  1085.01   61.280  1129.35   60.246   33.393   0.9453   34.072   0.9109 -0.6785240 1.312787 
1 1 1  -20   32    9 o   20.922   0.8586  426.747   34.865  420.907   49.528  432.483   49.088   20.779   1.2279   21.064   1.2005 -0.2858410 1.717260 
1 1 1  -20   32   10 o   14.933   2.1091  230.955   40.459  218.874  114.438  232.681   43.253   14.432   3.9635   15.433   1.4437 -1.001155 4.218295 
1 1 1  -20   32   11 o   44.447   0.8572  1972.26   62.190  1841.93  127.448  2012.99   71.249   43.401   1.5128   45.493   0.8068 -2.091896 1.714466 
1 1 1  -20   32   12 o   31.501   1.3412  987.409   80.211  1041.53  104.904  911.229  124.455   32.600   1.6577   30.402   2.1088 2.197796 2.682390 
1 1 1  -20   32   13 o   51.200   1.5444  2568.55  153.495  2568.55  153.495   0.0000   0.0000   51.200   1.5444  ?   ?       ?      ? 
1 1 1  -20   32   14 o   42.668   1.5685  1787.26  129.914  1787.26  129.914   0.0000   0.0000   42.668   1.5685  ?   ?       ?      ? 
1 1 1  -20   32   15 o   29.621   1.7705  865.633  101.805  865.633  101.805   0.0000   0.0000   29.621   1.7705  ?   ?       ?      ? 
1 1 1  -20   32   16 o   20.678   2.8130  434.789  112.912  434.789  112.912   0.0000   0.0000   20.678   2.8130  ?   ?       ?      ? 
1 1 1  -20   32   17 o   22.164   2.3871  493.767  102.701  493.767  102.701   0.0000   0.0000   22.164   2.3871  ?   ?       ?      ? 
1 1 1  -20   32   18 o   19.093   3.0563  376.876  113.277  376.876  113.277   0.0000   0.0000   19.093   3.0563  ?   ?       ?      ? 
1 1 1  -20   32   19 o   21.240   2.1439  453.926   88.395  453.926   88.395   0.0000   0.0000   21.240   2.1439  ?   ?       ?      ? 
1 1 1  -20   32   20 o   18.212   2.9356  346.655  103.784  346.655  103.784   0.0000   0.0000   18.212   2.9356  ?   ?       ?      ? 
1 1 1  -20   32   21 o   25.381   2.3044  658.420  113.536  658.420  113.536   0.0000   0.0000   25.381   2.3044  ?   ?       ?      ? 
1 1 1  -20   32   22 o   18.048   2.8724  346.510  100.629  346.510  100.629   0.0000   0.0000   18.048   2.8724  ?   ?       ?      ? 
1 1 1  -20   33    1 o   42.304   0.6887  1737.20   56.478  1618.99   77.829  1868.69   82.085   40.786   0.9830   43.821   0.9650 -3.034729 1.377498 
1 1 1  -20   33    2 o   23.434   0.9543  534.071   43.321  488.988   59.617  584.506   63.056   22.388   1.3718   24.481   1.3269 -2.093180 1.908548 
1 1 1  -20   33    3 o   20.186   1.0521  398.311   41.164  374.630   58.328  421.810   58.103   19.584   1.5343   20.788   1.4398 -1.204512 2.104111 
1 1 1  -20   33    4 o   23.295   0.9286  529.174   41.989  525.668   59.541  532.643   59.222   23.217   1.3211   23.372   1.3053 -0.1548233 1.857213 
1 1 1  -20   33    5 o   26.035   0.8508  659.372   42.958  633.663   59.251  687.862   62.372   25.501   1.1969   26.568   1.2094 -1.067116 1.701551 
1 1 1  -20   33    6 o   41.421   0.6436  1668.00   51.701  1643.99   71.383  1694.49   74.984   41.110   0.8945   41.733   0.9256 -0.6232452 1.287199 
1 1 1  -20   33    7 o   28.374   0.7375  784.802   40.553  732.297   57.360  837.271   57.340   27.422   1.0776   29.327   1.0072 -1.905863 1.475009 
1 1 1  -20   33    8 o   19.387   0.9491  366.703   35.528  318.277   49.372  418.709   51.165   18.054   1.4087   20.719   1.2721 -2.664967 1.898124 
1 1 1  -20   33    9 o   39.935   0.6022  1549.19   46.649  1469.68   64.668  1635.45   67.356   38.868   0.8571   41.002   0.8463 -2.134575 1.204485 
1 1 1  -20   33   10 o   28.195   1.2460  813.035   43.663  735.953  124.551  823.836   46.621   27.288   2.3513   29.101   0.8253 -1.813633 2.491958 
1 1 1  -20   33   11 o   16.986   2.4418  301.368   77.669  302.012  106.899  300.647  113.037   17.035   3.3520   16.937   3.5516 0.9860802E-01 4.883667 
1 1 1  -20   33   12 o   34.835   1.1950  1189.55   80.732  1157.57  111.263  1225.12  117.323   34.346   1.6688   35.324   1.7110 -0.9781570 2.390059 
1 1 1  -20   33   13 o   16.074   3.6691  275.585  111.965  275.585  111.965   0.0000   0.0000   16.074   3.6691  ?   ?       ?      ? 
1 1 1  -20   33   14 o   28.120   2.0468  783.881  111.727  783.881  111.727   0.0000   0.0000   28.120   2.0468  ?   ?       ?      ? 
1 1 1  -20   33   15 o   10.331   3.6379  102.461   90.625  102.461   90.625   0.0000   0.0000   10.331   3.6379  ?   ?       ?      ? 
1 1 1  -20   33   16 o   49.819   1.5505  2445.02  149.942  2445.02  149.942   0.0000   0.0000   49.819   1.5505  ?   ?       ?      ? 
1 1 1  -20   33   17 o   32.324   1.5956  1031.12  100.120  1031.12  100.120   0.0000   0.0000   32.324   1.5956  ?   ?       ?      ? 
1 1 1  -20   33   18 o   10.998   3.9949  119.035  110.207  119.035  110.207   0.0000   0.0000   10.998   3.9949  ?   ?       ?      ? 
1 1 1  -20   33   19 o   16.975   3.3003  313.349  104.833  313.349  104.833   0.0000   0.0000   16.975   3.3003  ?   ?       ?      ? 
1 1 1  -20   33   20 o   19.541   2.6545  395.127  100.694  395.127  100.694   0.0000   0.0000   19.541   2.6545  ?   ?       ?      ? 
1 1 1  -20   33   21 o   9.5221   3.8310   71.015  108.565   71.015  108.565   0.0000   0.0000   9.5221   3.8310  ?   ?       ?      ? 
1 1 1  -20   33   22 o   7.1154   3.3082 -63.4542  110.414 -63.4542  110.414   0.0000   0.0000   7.1154   3.3082  ?   ?       ?      ? 
1 1 1  -20   34    1 o   44.514   0.6945  1930.54   59.957  1980.43   83.755  1878.09   85.869   45.108   0.9565   43.920   1.0072 1.187569 1.389006 
1 1 1  -20   34    2 o   13.924   1.7135  206.078   43.200  279.465   59.434  123.881   62.901   16.885   1.8133   10.964   2.9079 5.921000 3.426931 
1 1 1  -20   34    3 o   10.541   1.8212  102.043   44.039   13.776   60.540  201.243   64.180   6.7965   2.8125   14.285   2.3145 -7.488653 3.642357 
1 1 1  -20   34    4 o   20.310   1.0602  403.573   41.743  420.505   58.460  385.958   59.625   20.749   1.4514   19.870   1.5458 0.8789768 2.120420 
1 1 1  -20   34    5 o   37.763   0.6780  1387.24   49.660  1464.68   71.038  1313.23   69.449   38.794   0.9433   36.731   0.9740 2.063652 1.355935 
1 1 1  -20   34    6 o   27.990   0.7705  762.086   41.828  721.833   58.002  805.701   60.376   27.221   1.0977   28.760   1.0815 -1.539473 1.540941 
1 1 1  -20   34    7 o   27.539   0.7445  738.407   39.792  716.925   55.771  760.683   56.791   27.130   1.0590   27.947   1.0468 -0.8168163 1.489060 
1 1 1  -20   34    8 o   44.943   0.6089  1963.79   53.104  1904.94   73.994  2026.29   76.258   44.249   0.8615   45.636   0.8608 -1.387814 1.217827 
1 1 1  -20   34    9 f   50.553   0.9062  2435.09   72.959  2598.97  160.003  2392.07   81.978   51.523   1.5998   49.583   0.8517 1.940098 1.812372 
1 1 1  -20   34   10 o   36.061   1.2712  1277.70   88.637  1267.36  130.977  1286.44  120.393   35.907   1.8791   36.215   1.7126 -0.3079681 2.542445 
1 1 1  -20   34   11 o   42.554   1.0774  1755.97   87.988  1889.29  136.964  1662.29  114.813   43.894   1.6075   41.215   1.4351 2.678551 2.154836 
1 1 1  -20   34   12 o   8.0914   2.4034   16.521   63.962  -2.2162   97.059   30.905   85.040   7.9529   3.4360   8.2299   3.3615 -0.2770281 4.806832 
1 1 1  -20   34   13 f   9.5509   3.8492   53.571  109.800   53.571  109.800   0.0000   0.0000   9.5509   3.8492  ?   ?       ?      ? 
1 1 1  -20   34   14 o   10.377   3.8455   95.389  102.918   95.389  102.918   0.0000   0.0000   10.377   3.8455  ?   ?       ?      ? 
1 1 1  -20   34   15 o   21.830   2.3622  478.571  100.099  478.571  100.099   0.0000   0.0000   21.830   2.3622  ?   ?       ?      ? 
1 1 1  -20   34   16 o   57.629   1.5267  3271.15  170.790  3271.15  170.790   0.0000   0.0000   57.629   1.5267  ?   ?       ?      ? 
1 1 1  -20   34   17 o   27.399   1.8296  746.166   97.313  746.166   97.313   0.0000   0.0000   27.399   1.8296  ?   ?       ?      ? 
1 1 1  -20   34   18 o   7.8029   3.4779 -20.7527  106.696 -20.7527  106.696   0.0000   0.0000   7.8029   3.4779  ?   ?       ?      ? 
1 1 1  -20   34   19 o   8.1333   3.5580   0.4601  106.812   0.4601  106.812   0.0000   0.0000   8.1333   3.5580  ?   ?       ?      ? 
1 1 1  -20   34   20 o   19.522   2.6391  395.640  100.014  395.640  100.014   0.0000   0.0000   19.522   2.6391  ?   ?       ?      ? 
1 1 1  -20   34   21 o   19.518   2.9716  407.457  112.589  407.457  112.589   0.0000   0.0000   19.518   2.9716  ?   ?       ?      ? 
1 1 1  -20   35    1 o   41.817   0.7009  1701.80   56.875  1652.52   79.421  1753.68   81.486   41.195   0.9932   42.438   0.9891 -1.242733 1.401708 
1 1 1  -20   35    2 o   53.356   0.6745  2771.06   69.843  2701.06   98.328  2842.35   99.224   52.674   0.9616   54.037   0.9459 -1.362816 1.348900 
1 1 1  -20   35    3 o   28.450   0.8341  790.767   45.968  834.662   64.293  744.861   65.748   29.265   1.1318   27.636   1.2256 1.628878 1.668216 
1 1 1  -20   35    4 o   27.751   0.7832  749.027   42.153  784.993   61.233  716.631   58.115   28.383   1.1114   27.119   1.1039 1.263283 1.566476 
1 1 1  -20   35    5 o   28.758   0.7602  805.422   42.354  738.202   59.151  876.150   60.674   27.524   1.1071   29.992   1.0422 -2.468386 1.520450 
1 1 1  -20   35    6 o   13.094   1.4096  168.016   35.727  186.881   52.066  151.228   49.115   13.790   1.9450   12.398   2.0409 1.392703 2.819250 
1 1 1  -20   35    7 o   24.266   0.7824  575.274   36.700  514.063   51.804  636.951   52.000   22.961   1.1622   25.570   1.0476 -2.608480 1.564721 
1 1 1  -20   35    8 o   18.967   0.8738  351.438   32.111  326.404   45.364  376.579   45.460   18.286   1.2780   19.648   1.1919 -1.362562 1.747563 
1 1 1  -20   35    9 o   14.699   0.9675  214.478   27.152  186.103   40.429  237.792   36.646   13.788   1.5105   15.610   1.2094 -1.821428 1.935030 
1 1 1  -20   35   10 o   26.206   1.6841  682.294   85.620  676.747  122.935  687.520  119.315   26.091   2.4273   26.321   2.3352 -0.2300320 3.368188 
1 1 1  -20   35   11 o   49.274   1.1169  2382.41  106.719  2539.36  152.712  2232.60  149.196   50.871   1.5464   47.677   1.6121 3.193981 2.233880 
1 1 1  -20   35   12 o   14.043   2.4575  216.053   69.428  290.808   94.729  129.297  102.050   16.701   3.0338   11.386   3.8670 5.314969 4.915041 
1 1 1  -20   35   13 o   17.078   3.5266  311.893  113.039  311.893  113.039   0.0000   0.0000   17.078   3.5266  ?   ?       ?      ? 
1 1 1  -20   35   14 o   18.836   2.9271  362.521  107.028  362.521  107.028   0.0000   0.0000   18.836   2.9271  ?   ?       ?      ? 
1 1 1  -20   35   15 o   20.318   2.6951  418.918  106.296  418.918  106.296   0.0000   0.0000   20.318   2.6951  ?   ?       ?      ? 
1 1 1  -20   35   16 o   40.896   1.6724  1654.65  132.770  1654.65  132.770   0.0000   0.0000   40.896   1.6724  ?   ?       ?      ? 
1 1 1  -20   35   17 o   36.811   1.6777  1344.01  119.886  1344.01  119.886   0.0000   0.0000   36.811   1.6777  ?   ?       ?      ? 
1 1 1  -20   35   18 o   13.582   3.8180  208.260  104.856  208.260  104.856   0.0000   0.0000   13.582   3.8180  ?   ?       ?      ? 
1 1 1  -20   35   19 f   28.062   2.1446  797.664  116.828  797.664  116.828   0.0000   0.0000   28.062   2.1446  ?   ?       ?      ? 
1 1 1  -20   35   20 o   26.944   1.9172  732.431  100.276  732.431  100.276   0.0000   0.0000   26.944   1.9172  ?   ?       ?      ? 
1 1 1  -20   35   21 o   11.827   3.9586  162.969  106.926  162.969  106.926   0.0000   0.0000   11.827   3.9586  ?   ?       ?      ? 
1 1 1  -20   36    1 f   55.223   0.6965  2969.29   74.623  3109.96  106.543  2833.83  104.551   56.509   0.9713   53.937   0.9986 2.572235 1.393016 
1 1 1  -20   36    2 f   17.009   1.3514  285.101   44.324  326.335   63.269  245.358   62.115   18.233   1.7875   15.785   2.0272 2.448512 2.702722 
1 1 1  -20   36    3 o   34.275   0.7576  1146.92   50.311  1196.30   70.093  1094.44   72.256   35.043   1.0304   33.507   1.1109 1.535149 1.515197 
1 1 1  -20   36    4 o   28.736   0.7980  803.121   44.458  751.339   61.285  860.640   64.590   27.760   1.1373   29.713   1.1199 -1.952705 1.596084 
1 1 1  -20   36    5 o   14.575   1.3725  208.931   38.810  217.824   55.179  200.225   54.598   14.885   1.9097   14.265   1.9717 0.6199989 2.744901 
1 1 1  -20   36    6 o   53.896   0.6619  2828.71   69.220  2845.75   96.679  2810.78   99.151   54.065   0.9212   53.726   0.9507 0.3385239 1.323796 
1 1 1  -20   36    7 o   41.158   0.6199  1648.39   49.520  1621.52   69.246  1676.52   70.844   40.815   0.8740   41.501   0.8794 -0.6856842 1.239839 
1 1 1  -20   36    8 o   46.145   0.5950  2063.99   53.184  1937.63   72.397  2212.13   78.387   44.618   0.8359   47.672   0.8471 -3.054016 1.190042 
1 1 1  -20   36    9 o   55.096   1.1192  2978.18  118.851  2977.37  158.916  2979.21  179.039   55.123   1.4852   55.069   1.6748 0.5381775E-01 2.238480 
1 1 1  -20   36   10 o   18.196   2.5127  353.446   86.141  448.307  120.584  254.588  123.098   21.063   2.9492   15.329   4.0690 5.733458 5.025400 
1 1 1  -20   36   11 o   34.075   1.4162  1142.52   93.367  1038.10  126.472  1267.58  138.415   32.372   2.0126   35.778   1.9930 -3.406498 2.832400 
1 1 1  -20   36   12 o   16.128   3.5491  279.191  108.101  279.191  108.101   0.0000   0.0000   16.128   3.5491  ?   ?       ?      ? 
1 1 1  -20   36   13 o   26.672   2.2943  712.711  118.785  712.711  118.785   0.0000   0.0000   26.672   2.2943  ?   ?       ?      ? 
1 1 1  -20   36   14 o   26.726   2.1421  713.134  111.133  713.134  111.133   0.0000   0.0000   26.726   2.1421  ?   ?       ?      ? 
1 1 1  -20   36   15 o   14.960   3.7402  246.069  108.327  246.069  108.327   0.0000   0.0000   14.960   3.7402  ?   ?       ?      ? 
1 1 1  -20   36   16 o   8.2995   3.6215  -0.6495  110.035  -0.6495  110.035   0.0000   0.0000   8.2995   3.6215  ?   ?       ?      ? 
1 1 1  -20   36   17 o   13.861   3.7973  216.092  105.188  216.092  105.188   0.0000   0.0000   13.861   3.7973  ?   ?       ?      ? 
1 1 1  -20   36   18 f   26.511   2.0567  708.497  105.841  708.497  105.841   0.0000   0.0000   26.511   2.0567  ?   ?       ?      ? 
1 1 1  -20   36   19 o   7.7891   3.5122 -27.5653  112.324 -27.5653  112.324   0.0000   0.0000   7.7891   3.5122  ?   ?       ?      ? 
1 1 1  -20   36   20 o   8.3270   3.5293   30.711   98.863   30.711   98.863   0.0000   0.0000   8.3270   3.5293  ?   ?       ?      ? 
1 1 1  -20   37    1 o   25.390   0.9306  631.493   45.716  648.487   62.707  612.214   66.791   25.764   1.2538   25.017   1.3754 0.7474670 1.861113 
1 1 1  -20   37    2 o   41.840   0.6843  1706.20   55.551  1731.73   77.669  1679.47   79.486   42.164   0.9489   41.516   0.9863 0.6471176 1.368674 
1 1 1  -20   37    3 o   15.480   1.3863  239.352   41.063  267.994   56.047  206.163   60.334   16.517   1.7481   14.442   2.1521 2.074616 2.772552 
1 1 1  -20   37    4 o   18.161   1.2456  330.705   42.749  409.528   59.803  248.343   61.130   20.449   1.5065   15.873   1.9840 4.576798 2.491163 
1 1 1  -20   37    5 o   33.658   0.7142  1104.07   46.659  1129.61   66.171  1078.81   65.803   34.047   1.0012   33.270   1.0189 0.7767906 1.428491 
1 1 1  -20   37    6 o   25.264   0.8109  622.542   39.754  634.501   57.168  611.346   55.319   25.497   1.1550   25.030   1.1385 0.4676094 1.621847 
1 1 1  -20   37    7 o   36.090   0.6278  1267.76   43.972  1231.36   61.351  1306.21   63.055   35.557   0.8888   36.622   0.8870 -1.064907 1.255696 
1 1 1  -20   37    8 o   11.800   2.2148  152.980   40.081  160.240   42.672   98.580  116.814   12.762   1.7226   10.839   4.0810 1.922871 4.429624 
1 1 1  -20   37    9 o   10.755   2.6391   83.600   71.753   10.127   92.420  195.085  113.845   8.0083   3.4041   13.502   4.0338 -5.494130 5.278226 
1 1 1  -20   37   10 o   44.594   1.1815  1958.27  102.277  1953.44  144.627  1963.09  144.655   44.538   1.6728   44.650   1.6690 -0.1112900 2.363018 
1 1 1  -20   37   11 o   33.412   1.3611  1105.73   88.239  1153.10  126.190  1060.41  123.435   34.119   1.9053   32.706   1.9442 1.413651 2.722165 
1 1 1  -20   37   12 o   49.894   1.5433  2451.48  149.474  2451.48  149.474   0.0000   0.0000   49.894   1.5433  ?   ?       ?      ? 
1 1 1  -20   37   13 o   10.727   4.0064  103.354  112.138  103.354  112.138   0.0000   0.0000   10.727   4.0064  ?   ?       ?      ? 
1 1 1  -20   37   14 o   6.5544   3.0910 -99.0823  102.329 -99.0823  102.329   0.0000   0.0000   6.5544   3.0910  ?   ?       ?      ? 
1 1 1  -20   37   15 o   14.812   3.8139  244.038  110.318  244.038  110.318   0.0000   0.0000   14.812   3.8139  ?   ?       ?      ? 
1 1 1  -20   37   16 o   16.023   3.6094  284.343  109.570  284.343  109.570   0.0000   0.0000   16.023   3.6094  ?   ?       ?      ? 
1 1 1  -20   37   17 f   28.151   2.1433  800.579  117.122  800.579  117.122   0.0000   0.0000   28.151   2.1433  ?   ?       ?      ? 
1 1 1  -20   37   18 o   9.4418   3.6278   78.545   93.487   78.545   93.487   0.0000   0.0000   9.4418   3.6278  ?   ?       ?      ? 
1 1 1  -20   37   19 o   26.272   2.3368  710.131  119.177  710.131  119.177   0.0000   0.0000   26.272   2.3368  ?   ?       ?      ? 
1 1 1  -20   37   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   38    1 o   13.710   1.6597  190.576   42.993  197.761   58.836  182.344   62.977   14.119   2.1467   13.300   2.5317 0.8188868 3.319321 
1 1 1  -20   38    2 o   38.079   0.7155  1412.45   52.810  1385.35   72.429  1443.21   77.165   37.694   0.9899   38.465   1.0334 -0.7712708 1.431025 
1 1 1  -20   38    3 o   26.984   0.8499  713.948   44.170  733.383   59.358  689.833   66.119   27.410   1.1156   26.559   1.2825 0.8506222 1.699788 
1 1 1  -20   38    4 o   6.0799   1.8556  -3.1411   39.803   1.0213   53.331  -8.3750   59.803   6.0291   2.5749   6.1307   2.6726 -0.1015868 3.711189 
1 1 1  -20   38    5 o   44.460   0.6464  1925.75   55.781  1910.72   78.081  1941.42   79.716   44.284   0.9083   44.636   0.9200 -0.3521233 1.292849 
1 1 1  -20   38    6 o   5.4231   1.6967 -14.2204   35.231 -11.5615   50.739 -16.6958   48.956   5.5417   2.4375   5.3046   2.3607 0.2370954 3.393316 
1 1 1  -20   38    7 o   9.2759   2.2844   82.134   42.898   90.252   46.454   35.120  111.795   9.3378   2.5091   9.2141   3.8181 0.1236210 4.568794 
1 1 1  -20   38    8 o   30.928   1.0725  912.523   45.235  901.857   48.787  977.875  120.763   30.429   0.8259   31.426   1.9796 -0.9967899 2.145008 
1 1 1  -20   38    9 o   7.6307   2.4058 -27.1917   71.532 -23.7931   94.160 -31.8300  109.999   7.3855   3.2810   7.8759   3.5193 -0.4904165 4.811512 
1 1 1  -20   38   10 o   16.032   2.6791  281.166   82.262  249.913  118.610  310.131  114.187   15.084   3.9894   16.980   3.5771 -1.896093 5.358295 
1 1 1  -20   38   11 o   32.938   1.3879  1077.91   88.703  1086.02  127.474  1070.29  123.510   33.049   1.9870   32.828   1.9382 0.2210770 2.775760 
1 1 1  -20   38   12 o   23.980   2.4143  578.430  112.384  578.430  112.384   0.0000   0.0000   23.980   2.4143  ?   ?       ?      ? 
1 1 1  -20   38   13 o   23.459   2.4999  556.082  113.844  556.082  113.844   0.0000   0.0000   23.459   2.4999  ?   ?       ?      ? 
1 1 1  -20   38   14 o   10.377   3.7822  102.451   98.902  102.451   98.902   0.0000   0.0000   10.377   3.7822  ?   ?       ?      ? 
1 1 1  -20   38   15 o   12.748   4.0648  180.530  113.403  180.530  113.403   0.0000   0.0000   12.748   4.0648  ?   ?       ?      ? 
1 1 1  -20   38   16 o   21.588   2.5387  477.683  106.388  477.683  106.388   0.0000   0.0000   21.588   2.5387  ?   ?       ?      ? 
1 1 1  -20   38   17 o   10.834   4.0759  115.437  116.483  115.437  116.483   0.0000   0.0000   10.834   4.0759  ?   ?       ?      ? 
1 1 1  -20   38   18 o   11.647   3.5776  152.648   88.682  152.648   88.682   0.0000   0.0000   11.647   3.5776  ?   ?       ?      ? 
1 1 1  -20   38   19 o   6.7846   3.2008 -89.1346  109.921 -89.1346  109.921   0.0000   0.0000   6.7846   3.2008  ?   ?       ?      ? 
1 1 1  -20   39    1 o   40.263   0.7200  1582.21   56.266  1577.19   80.085  1587.09   79.070   40.199   1.0263   40.328   1.0100 -0.1295128 1.439956 
1 1 1  -20   39    2 o   21.387   1.1056  450.767   45.413  370.548   63.261  536.062   65.232   19.397   1.6801   23.376   1.4376 -3.978643 2.211164 
1 1 1  -20   39    3 o   8.7851   1.8113   57.540   40.863 -24.3610   56.002  150.804   59.760   5.5363   2.4897   12.034   2.6316 -6.497520 3.622651 
1 1 1  -20   39    4 o   19.809   1.0388  384.692   39.839  347.986   55.401  424.001   57.332   18.824   1.5161   20.793   1.4204 -1.969370 2.077538 
1 1 1  -20   39    5 o   20.447   0.9960  409.894   39.500  408.440   54.733  411.475   57.064   20.413   1.3813   20.480   1.4353 -0.6767654E-01 1.992021 
1 1 1  -20   39    6 o   37.102   1.0767  1268.92   59.599  1224.79   65.337  1487.58  145.439   35.438   0.9498   38.766   1.9327 -3.327755 2.153453 
1 1 1  -20   39    7 o   6.5855   2.1609 -18.0009   42.701 -10.8368   45.205 -77.3539  130.114   5.2143   2.2969   7.9567   3.6609 -2.742409 4.321852 
1 1 1  -20   39    8 o   35.264   1.1006  1205.43   49.382  1199.49   52.682  1248.45  141.755   35.094   0.7733   35.433   2.0609 -0.3392296 2.201242 
1 1 1  -20   39    9 o   38.678   1.2617  1503.70   91.747  1588.08  118.106  1375.32  145.693   40.171   1.5146   37.185   2.0184 2.985577 2.523466 
1 1 1  -20   39   10 o   13.866   2.8890  212.436   87.520  285.548  118.940  126.107  129.244   16.133   3.8513   11.599   4.3072 4.533629 5.777943 
1 1 1  -20   39   11 o   7.7975   2.5199 -61.0175   85.434 -35.5933  114.770 -92.6137  127.944   7.9500   3.5706   7.6451   3.5567 0.3049030 5.039770 
1 1 1  -20   39   12 o   20.505   2.4571  424.444   97.802  424.444   97.802   0.0000   0.0000   20.505   2.4571  ?   ?       ?      ? 
1 1 1  -20   39   13 f   16.146   3.7339  287.841  114.697  287.841  114.697   0.0000   0.0000   16.146   3.7339  ?   ?       ?      ? 
1 1 1  -20   39   14 o   18.175   2.7094  339.253   95.589  339.253   95.589   0.0000   0.0000   18.175   2.7094  ?   ?       ?      ? 
1 1 1  -20   39   15 o   28.838   2.2001  840.689  123.159  840.689  123.159   0.0000   0.0000   28.838   2.2001  ?   ?       ?      ? 
1 1 1  -20   39   16 o   8.5620   3.5478   38.787   96.519   38.787   96.519   0.0000   0.0000   8.5620   3.5478  ?   ?       ?      ? 
1 1 1  -20   39   17 o   17.617   3.6823  351.432  121.873  351.432  121.873   0.0000   0.0000   17.617   3.6823  ?   ?       ?      ? 
1 1 1  -20   39   18 o   7.5971   3.3732  -8.6082   99.395  -8.6082   99.395   0.0000   0.0000   7.5971   3.3732  ?   ?       ?      ? 
1 1 1  -20   40    1 o   16.575   1.4829  271.036   47.423  316.358   70.715  233.996   63.929   17.833   2.0428   15.317   2.1502 2.516102 2.965862 
1 1 1  -20   40    2 o   26.588   0.9354  699.092   47.838  758.474   65.379  630.667   70.181   27.836   1.2100   25.340   1.4267 2.495338 1.870722 
1 1 1  -20   40    3 o   6.0862   1.8730  -6.5142   41.419  -2.2320   57.851 -11.0178   59.327   6.1566   2.6564   6.0158   2.6412 0.1408205 3.745939 
1 1 1  -20   40    4 o   28.150   0.7844  776.208   42.765  807.053   59.306  742.795   61.725   28.742   1.0630   27.558   1.1538 1.183905 1.568821 
1 1 1  -20   40    5 o   12.816   2.0995  226.803   47.795  266.378   52.365   29.258  116.993   16.437   1.6411   9.1951   3.8650 7.242355 4.198982 
1 1 1  -20   40    6 o   38.785   0.9912  1452.79   60.187  1436.12   67.334  1519.03  134.240   38.372   0.9040   39.197   1.7642 -0.8250885 1.982345 
1 1 1  -20   40    7 o   77.275   0.9983  5857.22  136.620  5843.77  162.766  5889.29  251.339   77.316   1.0845   77.233   1.6764 0.8267975E-01 1.996650 
1 1 1  -20   40    8 o   11.703   2.1162   92.595   24.189   86.852   24.747  215.617  114.532   9.4059   1.3554   14.001   4.0094 -4.595018 4.232327 
1 1 1  -20   40    9 o   19.605   2.1408  392.522   80.790  380.370  106.902  408.706  123.367   19.313   2.8515   19.898   3.1940 -0.5846062 4.281667 
1 1 1  -20   40   10 f   8.4151   2.5836 -23.8369   83.327   59.338  114.796 -116.4651  121.144   9.7235   3.9298   7.1067   3.3551 2.616774 5.167185 
1 1 1  -20   40   11 o   34.405   1.4135  1192.49   93.314  1307.70  127.235  1058.39  137.269   36.306   1.8053   32.504   2.1756 3.802467 2.827075 
1 1 1  -20   40   12 f   9.7484   3.6621   83.862   93.959   83.862   93.959   0.0000   0.0000   9.7484   3.6621  ?   ?       ?      ? 
1 1 1  -20   40   13 o   28.958   2.1966  845.084  123.479  845.084  123.479   0.0000   0.0000   28.958   2.1966  ?   ?       ?      ? 
1 1 1  -20   40   14 o   27.232   1.9686  743.582  104.067  743.582  104.067   0.0000   0.0000   27.232   1.9686  ?   ?       ?      ? 
1 1 1  -20   40   15 o   21.550   2.8637  484.532  119.793  484.532  119.793   0.0000   0.0000   21.550   2.8637  ?   ?       ?      ? 
1 1 1  -20   40   16 o   10.344   3.8210  106.750  101.449  106.750  101.449   0.0000   0.0000   10.344   3.8210  ?   ?       ?      ? 
1 1 1  -20   40   17 o   20.599   3.0547  454.323  122.142  454.323  122.142   0.0000   0.0000   20.599   3.0547  ?   ?       ?      ? 
1 1 1  -20   40   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   41    1 o   6.4519   1.9194 -13.1045   44.850 -72.1978   63.176   46.937   63.681   5.0497   2.3954   7.8542   2.9998 -2.804575 3.838869 
1 1 1  -20   41    2 o   19.264   1.3161  374.862   48.201  320.763   72.296  418.152   64.672   17.940   2.0761   20.589   1.6181 -2.649202 2.632187 
1 1 1  -20   41    3 o   5.6526   1.8043 -27.0892   42.039 -27.1428   58.483 -27.0320   60.472   5.5966   2.5279   5.7087   2.5753 -0.1120281 3.608681 
1 1 1  -20   41    4 o   30.532   1.3154  931.711   57.700  935.522   63.238  912.771  140.985   30.940   1.0529   30.125   2.4109 0.8141327 2.630776 
1 1 1  -20   41    5 o   29.527   1.3836  839.316   55.466  828.621   59.786  905.392  148.604   29.117   1.0578   29.938   2.5571 -0.8204403 2.767236 
1 1 1  -20   41    6 o   5.8056   1.9495 -42.0974   45.270 -14.6249   48.074 -257.1577  134.506   5.2813   2.3454   6.3298   3.1148 -1.048501 3.899062 
1 1 1  -20   41    7 o   24.334   1.5449  579.951   45.474  576.629   48.166  607.209  137.966   24.295   1.0213   24.373   2.9160 -0.7810020E-01 3.089702 
1 1 1  -20   41    8 o   31.331   1.5304  984.427   92.727  1052.06  129.088  912.320  133.285   32.495   2.0465   30.167   2.2760 2.327280 3.060797 
1 1 1  -20   41    9 f   15.213   2.5867  258.273   75.244  286.695   98.149  217.758  117.186   16.406   3.1968   14.019   4.0676 2.387466 5.173457 
1 1 1  -20   41   10 o   6.7182   2.2293 -87.5671   71.133 -72.7167  114.682 -96.8530   90.686   7.3724   3.4081   6.0639   2.8747 1.308504 4.458577 
1 1 1  -20   41   11 o   10.447   2.7906   96.577   77.833  122.043  112.238   72.985  108.029   11.113   4.0323   9.7805   3.8587 1.332040 5.581187 
1 1 1  -20   41   12 o   16.298   3.1686  286.030   96.638  286.030   96.638   0.0000   0.0000   16.298   3.1686  ?   ?       ?      ? 
1 1 1  -20   41   13 o   14.559   4.0883  243.159  120.289  243.159  120.289   0.0000   0.0000   14.559   4.0883  ?   ?       ?      ? 
1 1 1  -20   41   14 o   8.3225   3.6390   2.6795  111.612   2.6795  111.612   0.0000   0.0000   8.3225   3.6390  ?   ?       ?      ? 
1 1 1  -20   41   15 o   9.9228   4.0519   71.404  123.528   71.404  123.528   0.0000   0.0000   9.9228   4.0519  ?   ?       ?      ? 
1 1 1  -20   41   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   41   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   42    1 o   47.440   0.6986  2206.01   64.103  2365.66   89.384  2036.94   91.982   49.229   0.9353   45.651   1.0380 3.578156 1.397226 
1 1 1  -20   42    2 o   34.474   0.7882  1161.63   52.563  1149.93   71.269  1175.58   77.834   34.295   1.0705   34.654   1.1571 -0.3590736 1.576340 
1 1 1  -20   42    3 o   23.126   2.0579  624.385   65.805  672.366   73.876  440.069  144.793   26.144   1.4557   20.108   3.8497 6.036324 4.115757 
1 1 1  -20   42    4 o   29.481   1.2860  869.231   55.928  873.743   61.732  848.564  132.119   29.896   1.0637   29.065   2.3417 0.8311195 2.571966 
1 1 1  -20   42    5 o   10.675   2.2513  121.235   46.374  127.740   53.014  100.035   95.702   11.042   2.5279   10.308   3.7261 0.7332296 4.502659 
1 1 1  -20   42    6 o   39.955   0.9800  1535.68   60.525  1514.37   67.386  1624.66  137.672   39.401   0.8811   40.510   1.7507 -1.109921 1.959910 
1 1 1  -20   42    7 f   26.152   1.3710  643.237   43.114  633.279   45.514  730.237  134.535   25.471   0.9205   26.833   2.5828 -1.362452 2.741954 
1 1 1  -20   42    8 o   16.165   2.9297  290.384   92.611  242.351  125.013  348.809  137.874   14.681   4.1837   17.648   4.1024 -2.967266 5.859405 
1 1 1  -20   42    9 o   29.224   1.6230  887.248   87.568  965.448  111.438  761.008  141.588   31.153   1.8428   27.295   2.6723 3.858246 3.246067 
1 1 1  -20   42   10 o   23.987   1.9597  588.993   90.904  522.915  124.449  664.581  133.103   22.514   2.8476   25.461   2.6931 -2.946793 3.919397 
1 1 1  -20   42   11 o   8.1674   2.5104  -6.0504   73.151   44.773  116.587 -39.0499   93.945   9.3292   3.8852   7.0055   3.1803 2.323693 5.020831 
1 1 1  -20   42   12 o   9.5395   3.7341   73.695  100.451   73.695  100.451   0.0000   0.0000   9.5395   3.7341  ?   ?       ?      ? 
1 1 1  -20   42   13 o   20.465   3.2056  444.716  127.346  444.716  127.346   0.0000   0.0000   20.465   3.2056  ?   ?       ?      ? 
1 1 1  -20   42   14 o   23.089   2.3786  546.105  106.607  546.105  106.607   0.0000   0.0000   23.089   2.3786  ?   ?       ?      ? 
1 1 1  -20   42   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   42   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   43    1 o   34.499   0.8539  1180.77   55.944  1240.05   73.079  1096.87   86.949   35.599   1.0575   33.399   1.3411 2.200119 1.707896 
1 1 1  -20   43    2 o   39.722   1.1259  1585.64   69.128  1603.96   77.485  1514.18  153.021   40.512   0.9853   38.932   2.0248 1.579906 2.251817 
1 1 1  -20   43    3 o   27.765   1.5464  850.463   60.191  892.562   66.506  659.802  141.531   30.188   1.1349   25.342   2.8771 4.846230 3.092837 
1 1 1  -20   43    4 o   20.211   1.8182  334.709   52.162  302.601   55.945  548.318  144.297   17.490   1.6478   22.931   3.2416 -5.441618 3.636371 
1 1 1  -20   43    5 o   8.3533   2.4134   46.290   48.638   55.253   52.041 -15.6001  136.750   7.7666   2.7544   8.9400   3.9636 -1.173469 4.826701 
1 1 1  -20   43    6 o   17.548   2.0092  286.992   42.358  277.199   44.813  369.096  129.756   16.785   1.3754   18.312   3.7757 -1.527431 4.018451 
1 1 1  -20   43    7 o   7.8126   2.0998   53.670   35.399   64.098   37.193 -46.6992  115.387   7.8833   2.2928   7.7419   3.5184 0.1414671 4.199508 
1 1 1  -20   43    8 o   12.458   2.8600  149.205   86.161  273.967  129.096   48.989  115.702   15.493   4.1911   9.4228   3.8928 6.070074 5.720082 
1 1 1  -20   43    9 o   11.945   2.5246  144.559   78.236  271.381  103.254 -26.4048  119.884   15.716   3.4766   8.1738   3.6617 7.542404 5.049272 
1 1 1  -20   43   10 o   14.863   2.8754  250.061   93.096  380.409  131.878  120.578  131.439   18.450   3.8085   11.275   4.3089 7.174482 5.750781 
1 1 1  -20   43   11 o   10.331   4.0980   87.532  122.462   87.532  122.462   0.0000   0.0000   10.331   4.0980  ?   ?       ?      ? 
1 1 1  -20   43   12 o   6.1595   2.9846 -157.3599  110.402 -157.3599  110.402   0.0000   0.0000   6.1595   2.9846  ?   ?       ?      ? 
1 1 1  -20   43   13 o   28.362   2.4822  828.237  136.661  828.237  136.661   0.0000   0.0000   28.362   2.4822  ?   ?       ?      ? 
1 1 1  -20   43   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   43   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   44    1 o   27.501   1.5450  742.241   59.717  733.289   64.903  791.636  152.460   27.323   1.2237   27.680   2.8375 -0.3565464 3.090087 
1 1 1  -20   44    2 o   36.736   1.0187  1320.55   72.642  1320.55   72.642   0.0000   0.0000   36.736   1.0187  ?   ?       ?      ? 
1 1 1  -20   44    3 o   37.575   1.2287  1387.01   67.411  1378.88   74.006  1426.62  163.364   37.541   1.0155   37.609   2.2377 -0.6845474E-01 2.457354 
1 1 1  -20   44    4 o   31.835   1.2388  1030.09   58.674  1043.76   65.065  970.553  135.749   32.659   1.0263   31.011   2.2550 1.647617 2.477588 
1 1 1  -20   44    5 o   16.582   2.2535  389.035   51.726  436.364   56.724  155.358  126.039   21.044   1.3886   12.121   4.2878 8.923029 4.507069 
1 1 1  -20   44    6 o   27.520   1.3827  682.197   47.718  660.325   50.516  863.419  145.408   25.979   1.0017   29.062   2.5775 -3.082855 2.765327 
1 1 1  -20   44    7 f   21.903   1.9808  556.376   37.106  565.112   38.417  434.951  143.222   24.063   0.8225   19.743   3.8754 4.319550 3.961679 
1 1 1  -20   44    8 o   8.7005   2.7174 -44.8621   97.139 -173.7310  141.416   70.265  133.663   7.1603   3.4467   10.241   4.2021 -3.080452 5.434856 
1 1 1  -20   44    9 o   8.8937   2.6785   27.090   80.979   26.282  110.053   28.044  119.583   8.7370   3.7143   9.0504   3.8602 -0.3134108 5.356914 
1 1 1  -20   44   10 o   10.394   2.8365   96.949   78.878   97.462  132.000   96.664   98.374   10.709   4.2526   10.079   3.7548 0.6301146 5.673051 
1 1 1  -20   44   11 o   13.137   4.3516  199.276  129.292  199.276  129.292   0.0000   0.0000   13.137   4.3516  ?   ?       ?      ? 
1 1 1  -20   44   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   44   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   44   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   44   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   45    1 o   20.017   2.1959  420.675   59.376  418.300   64.693  433.367  149.559   20.526   1.6236   19.508   4.0806 1.018347 4.391774 
1 1 1  -20   45    2 f   9.7729   2.2070  107.777   51.889  144.781   58.941 -19.7022  109.398   11.653   2.6637   7.8929   3.5196 3.759941 4.413930 
1 1 1  -20   45    3 o   34.137   1.0331  1141.33   68.456  1141.33   68.456   0.0000   0.0000   34.137   1.0331  ?   ?       ?      ? 
1 1 1  -20   45    4 o   8.9649   2.6170   51.808   52.150   54.556   55.113   28.298  161.225   7.7843   2.8255   10.145   4.4058 -2.361156 5.233996 
1 1 1  -20   45    5 o   6.8557   2.2546 -24.0270   49.273 -19.3030   52.759 -56.2721  137.840   5.4062   2.4250   8.3052   3.8016 -2.898993 4.509167 
1 1 1  -20   45    6 o   14.656   2.2464  200.252   43.128  190.341   45.829  276.992  127.524   13.830   1.7071   15.483   4.1560 -1.653066 4.492895 
1 1 1  -20   45    7 o   22.233   2.3534  538.188   97.126  478.969  145.979  585.227  130.103   20.735   3.7654   23.731   2.8243 -2.995771 4.706895 
1 1 1  -20   45    8 o   30.964   1.8140  980.696  108.609  1108.71  159.667  870.456  148.169   32.877   2.5018   29.051   2.6274 3.826178 3.627995 
1 1 1  -20   45    9 o   9.2155   2.8133   25.271   90.538   32.329  116.451   14.483  143.959   8.9986   3.8230   9.4323   4.1284 -0.4337635 5.626580 
1 1 1  -20   45   10 o   16.838   2.9828  334.547   97.874  289.442  138.798  379.158  138.035   15.559   4.3994   18.117   4.0292 -2.557547 5.965631 
1 1 1  -20   45   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   45   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   45   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   46    1 f   7.6609   2.2925   19.149   58.989   61.655   64.341 -204.9187  147.724   8.2616   3.0446   7.0602   3.4283 1.201459 4.585060 
1 1 1  -20   46    2 o   19.818   2.2639  389.589   56.410  378.374   60.263  468.979  160.336   19.518   1.5906   20.119   4.2392 -0.6013908 4.527768 
1 1 1  -20   46    3 o   9.2530   2.6401   45.136   54.359   32.056   58.779  122.426  142.880   7.1002   2.8320   11.406   4.4565 -4.305453 5.280192 
1 1 1  -20   46    4 o   25.541   1.2593  642.371   62.434  642.371   62.434   0.0000   0.0000   25.541   1.2593  ?   ?       ?      ? 
1 1 1  -20   46    5 o   9.9783   2.6512   86.121   50.962   86.010   53.957   87.044  155.128   9.0467   2.7926   10.910   4.5073 -1.863311 5.302312 
1 1 1  -20   46    6 f   17.844   2.3355  355.599   43.456  357.948   45.430  330.318  149.062   19.070   1.2272   16.618   4.5070 2.452150 4.671054 
1 1 1  -20   46    7 f   40.095   1.4854  1625.96  115.602  1629.60  164.338  1622.39  162.647   40.132   2.1095   40.057   2.0917 0.7520294E-01 2.970723 
1 1 1  -20   46    8 o   14.274   3.8282  234.167  108.259   0.0000   0.0000  234.167  108.259  ?   ?    14.274   3.8282      ?      ? 
1 1 1  -20   46    9 o   14.663   4.2973  256.638  130.211   0.0000   0.0000  256.638  130.211  ?   ?    14.663   4.2973      ?      ? 
1 1 1  -20   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   46   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   47    1 o   15.994   2.6327  259.647   67.048  237.074   74.609  354.386  152.848   14.912   2.6758   17.075   4.5349 -2.162881 5.265487 
1 1 1  -20   47    2 o   8.0157   2.4834   13.991   64.903   28.542   73.019 -40.7698  141.653   7.5040   3.0956   8.5274   3.8842 -1.023368 4.966875 
1 1 1  -20   47    3 o   14.861   2.6641  248.267   65.272  249.895   71.934  240.682  155.294   15.613   2.3734   14.108   4.7704 1.505282 5.328233 
1 1 1  -20   47    4 o   34.104   1.4851  1217.31   74.513  1240.84   82.614  1114.68  172.535   35.502   1.1988   32.706   2.7176 2.795677 2.970234 
1 1 1  -20   47    5 o   8.1655   2.8472   65.271   55.438   65.271   55.438   0.0000   0.0000   8.1655   2.8472  ?   ?       ?      ? 
1 1 1  -20   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   48    1 o   14.457   2.7395  225.643   74.066  225.643   74.066   0.0000   0.0000   14.457   2.7395  ?   ?       ?      ? 
1 1 1  -20   48    2 o   14.131   2.7632  215.870   73.078  215.870   73.078   0.0000   0.0000   14.131   2.7632  ?   ?       ?      ? 
1 1 1  -20   48    3 o   19.807   1.9016  395.985   73.115  395.985   73.115   0.0000   0.0000   19.807   1.9016  ?   ?       ?      ? 
1 1 1  -20   48    4 o   20.261   1.7286  411.561   67.985  411.561   67.985   0.0000   0.0000   20.261   1.7286  ?   ?       ?      ? 
1 1 1  -20   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   49    1 o   19.679   2.1242  396.605   81.145  396.605   81.145   0.0000   0.0000   19.679   2.1242  ?   ?       ?      ? 
1 1 1  -20   49    2 o   18.225   2.3049  343.196   81.541  343.196   81.541   0.0000   0.0000   18.225   2.3049  ?   ?       ?      ? 
1 1 1  -20   49    3 o   8.7000   3.2281   72.436   72.568   72.436   72.568   0.0000   0.0000   8.7000   3.2281  ?   ?       ?      ? 
1 1 1  -20   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -20   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    0    1 o   85.670   1.0871  7136.04  180.624  7153.60  253.065  7117.80  257.886   85.780   1.5209   85.561   1.5538 -0.000000 0.000000 
1 1 1  -19    0    2 o   43.174   0.8846  1814.61   73.996  1810.95  105.084  1818.21  104.215   43.130   1.2576   43.218   1.2446 -0.000000 0.000000 
1 1 1  -19    0    3 o   95.869   1.1694  8928.78  217.382  8703.88  301.788  9171.31  313.389   94.615   1.6443   97.123   1.6634 -0.000000 0.000000 
1 1 1  -19    0    4 o  104.346   1.2537 10562.93  253.476 11134.38  369.269 10053.77  348.565  107.010   1.7788  101.681   1.7671 -0.000000 0.000000 
1 1 1  -19    0    5 o   61.835   0.9066  3715.25  108.672  3861.63  155.850  3576.73  151.608   63.022   1.2751   60.649   1.2891 -0.000000 0.000000 
1 1 1  -19    0    6 o   7.6252   2.6701   75.476   55.774  127.780   74.256   7.7733   84.484   9.6739   3.9896   5.5764   3.5499 -0.000000 0.000000 
1 1 1  -19    0    7 o   16.088   2.0041  278.118   55.231  317.967   76.174  233.950   80.196   17.637   2.3399   14.538   3.2544 -0.000000 0.000000 
1 1 1  -19    0    8 o   55.801   0.8680  3027.25   93.893  3126.90  133.871  2930.77  131.723   56.707   1.2174   54.895   1.2375 -0.000000 0.000000 
1 1 1  -19    0    9 o   6.5616   2.6683   52.687   54.191   56.373   71.889   47.836   82.471   6.5898   3.7055   6.5335   3.8403 -0.000000 0.000000 
1 1 1  -19    0   10 o   6.0591   2.5559   37.564   53.091   33.340   74.474   41.930   75.705   5.9174   3.5655   6.2007   3.6630 -0.000000 0.000000 
1 1 1  -19    0   11 o   90.150   1.1345  7902.16  198.355  7870.74  277.411  7935.02  283.727   89.968   1.5896   90.332   1.6192 -0.000000 0.000000 
1 1 1  -19    0   12 o   8.5315   2.8299  101.274   54.021   74.548   73.945  131.866   79.112   7.2878   3.8723   9.7752   4.1277 -0.000000 0.000000 
1 1 1  -19    0   13 o  123.755   2.9751 14049.10  428.611 13815.12  450.409 16292.40  1394.62  119.162   1.9483  128.348   5.6222 -0.000000 0.000000 
1 1 1  -19    0   14 o   40.766   7.9055  2318.28  113.760  2324.42  114.310  1683.76  1161.60   48.876   1.2065   32.655   15.765 -0.000000 0.000000 
1 1 1  -19    0   15 o  114.871   3.1628 11746.01  372.438 11538.59  386.103 14521.58  1412.40  108.902   1.8276  120.840   6.0559 -0.000000 0.000000 
1 1 1  -19    0   16 f   22.455   7.0239  425.253   80.481  422.367   80.728  893.968  1028.71   20.529   2.0744   24.382   13.894 -0.000000 0.000000 
1 1 1  -19    0   17 o   29.562   7.9039  275.597   78.359  265.504   78.527  2617.54  1196.23   15.808   2.8288   43.317   15.553 -0.000000 0.000000 
1 1 1  -19    0   18 o   93.602   4.6929  8476.33  294.920  8450.04  299.754  9271.79  1648.77   93.181   1.6584   94.024   9.2382 -0.000000 0.000000 
1 1 1  -19    0   19 o   40.982   8.6742  2084.22  112.726  2083.47  113.093  2200.42  1400.51   46.252   1.2617   35.711   17.302 -0.000000 0.000000 
1 1 1  -19    0   20 o   21.330   5.3418  750.119   88.533  759.949   88.741 -1341.1560  1294.33   27.798   1.6581   14.863   10.554 -0.000000 0.000000 
1 1 1  -19    0   21 o   40.916   1.3664  1633.81  108.255  1633.81  108.255   0.0000   0.0000   40.916   1.3664   40.916   1.3664 -0.000000 0.000000 
1 1 1  -19    0   22 f   58.635   1.3319  3350.60  151.417  3350.60  151.417   0.0000   0.0000   58.635   1.3319   58.635   1.3319 -0.000000 0.000000 
1 1 1  -19    0   23 o   13.661   3.6243  218.269   83.036  218.269   83.036   0.0000   0.0000   13.661   3.6243   13.661   3.6243 -0.000000 0.000000 
1 1 1  -19    0   24 o   7.9436   4.2084   92.462   87.153   92.462   87.153   0.0000   0.0000   7.9436   4.2084   7.9436   4.2084 -0.000000 0.000000 
1 1 1  -19    0   25 o   41.844   1.4539  1715.83  117.770  1715.83  117.770   0.0000   0.0000   41.844   1.4539   41.844   1.4539 -0.000000 0.000000 
1 1 1  -19    0   26 o   7.6746   3.8762   88.088   71.605   88.088   71.605   0.0000   0.0000   7.6746   3.8762   7.6746   3.8762 -0.000000 0.000000 
1 1 1  -19    0   27 f   24.707   1.7381  608.139   82.414  608.139   82.414   0.0000   0.0000   24.707   1.7381   24.707   1.7381 -0.000000 0.000000 
1 1 1  -19    0   28 o   10.195   4.1351  148.158   80.157  148.158   80.157   0.0000   0.0000   10.195   4.1351   10.195   4.1351 -0.000000 0.000000 
1 1 1  -19    0   29 o   7.5364   4.1548   87.264   88.298   87.264   88.298   0.0000   0.0000   7.5364   4.1548   7.5364   4.1548 -0.000000 0.000000 
1 1 1  -19    1    1 o   63.640   0.6492  3932.25   80.192  3985.26  114.451  3881.13  112.393   64.061   0.9204   63.219   0.9159 0.8422699 1.298409 
1 1 1  -19    1    2 o  103.246   0.8638 10352.66  173.100 10154.89  242.372 10558.57  247.304  102.240   1.2212  104.252   1.2220 -2.012291 1.727643 
1 1 1  -19    1    3 o   69.123   0.6740  4634.36   90.375  4800.35  130.733  4482.42  125.074   70.307   0.9579   67.939   0.9484 2.367706 1.347970 
1 1 1  -19    1    4 o   60.964   0.6378  3608.95   75.475  3572.84  106.432  3645.47  107.047   60.657   0.9039   61.270   0.9000 -0.6135445 1.275584 
1 1 1  -19    1    5 o   53.985   0.6192  2830.09   64.892  2819.67   91.983  2840.41   91.562   53.886   0.8794   54.084   0.8721 -0.1979828 1.238494 
1 1 1  -19    1    6 o   77.171   0.7154  5783.44  107.167  5742.03  150.708  5825.80  152.421   76.891   1.0097   77.450   1.0138 -0.5586624 1.430850 
1 1 1  -19    1    7 o   85.318   0.7651  7070.09  126.706  7043.18  178.149  7097.65  180.249   85.154   1.0777   85.482   1.0863 -0.3281326 1.530183 
1 1 1  -19    1    8 o   29.009   0.7779  818.105   43.752  773.035   61.917  863.051   61.832   28.210   1.1307   29.808   1.0686 -1.598545 1.555742 
1 1 1  -19    1    9 o   11.443   1.7671  133.999   38.872   98.827   57.885  162.889   52.461   9.9499   2.8507   12.936   2.0892 -2.985972 3.534260 
1 1 1  -19    1   10 o   43.939   0.6253  1873.20   53.283  1913.68   77.293  1836.55   73.555   44.391   0.8970   43.488   0.8713 0.9031296 1.250500 
1 1 1  -19    1   11 o   24.900   0.8332  602.155   40.239  607.748   58.226  597.042   55.672   25.010   1.1993   24.790   1.1569 0.2203465 1.666386 
1 1 1  -19    1   12 o   39.818   0.6354  1540.67   49.086  1589.88   69.115  1490.59   69.726   40.461   0.8800   39.176   0.9169 1.284859 1.270838 
1 1 1  -19    1   13 o   66.289   0.8037  4293.06   98.389  4193.02  166.241  4347.00  122.063   65.680   1.3039   66.898   0.9399 -1.218292 1.607368 
1 1 1  -19    1   14 o   50.471   0.8582  2474.92   84.063  2515.69  120.483  2436.25  117.345   50.875   1.2200   50.066   1.2074 0.8089981 1.716441 
1 1 1  -19    1   15 o   39.688   0.9107  1531.85   70.120  1509.41  100.520  1553.11   97.863   39.403   1.3142   39.972   1.2612 -0.5689316 1.821475 
1 1 1  -19    1   16 o  114.604   1.2968 12795.89  288.484 12801.34  409.732 12790.53  406.246  114.626   1.8414  114.581   1.8265 0.4485321E-01 2.593602 
1 1 1  -19    1   17 o   49.110   0.8722  2345.43   83.105  2326.34  119.200  2363.48  115.926   48.914   1.2554   49.306   1.2112 -0.3919449 1.744420 
1 1 1  -19    1   18 o   58.682   0.9076  3346.01  103.324  3202.91  143.757  3498.93  148.609   57.385   1.2905   59.979   1.2764 -2.594555 1.815111 
1 1 1  -19    1   19 o   13.691   2.2126  191.114   57.494  208.446   83.851  175.736   78.985   14.281   3.1125   13.101   3.1456 1.180596 4.425206 
1 1 1  -19    1   20 o   24.027   1.3234  566.892   61.421  517.618   88.494  612.691   85.317   23.005   1.9816   25.049   1.7546 -2.044371 2.646781 
1 1 1  -19    1   21 o   15.824   2.0185  252.004   60.555  274.850   85.869  229.402   85.407   16.693   2.6500   14.956   3.0454 1.736841 4.036918 
1 1 1  -19    1   22 o   18.924   1.6463  352.136   60.398  369.978   88.199  336.382   82.879   19.372   2.3455   18.475   2.3109 0.8962383 3.292660 
1 1 1  -19    1   23 o   19.038   1.6856  357.237   61.569  288.123   84.230  436.533   90.221   17.043   2.5460   21.034   2.2097 -3.991041 3.371178 
1 1 1  -19    1   24 o   11.178   2.4158  124.798   59.464  176.150   85.594   76.890   82.673   12.910   3.3769   9.4457   3.4557 3.464062 4.831678 
1 1 1  -19    1   25 o   20.250   1.7037  415.112   65.947  335.384   93.450  494.204   93.077   18.228   2.6410   22.271   2.1529 -4.042990 3.407371 
1 1 1  -19    1   26 o   10.936   2.1242  129.391   56.360  -5.7698   90.823  214.030   71.871   7.5521   3.2929   14.319   2.6842 -6.767341 4.248365 
1 1 1  -19    1   27 o   36.262   0.8986  1292.92   63.234  1311.39   88.714  1273.84   90.158   36.532   1.2510   35.991   1.2904 0.5408249 1.797270 
1 1 1  -19    1   28 o   40.539   0.8751  1619.12   68.772  1647.19   95.358  1588.70   99.276   40.922   1.2004   40.156   1.2736 0.7666092 1.750151 
1 1 1  -19    1   29 o   15.836   2.1053  275.978   62.489  211.705   89.466  337.204   87.319   13.660   3.3901   18.012   2.4973 -4.352539 4.210610 
1 1 1  -19    2    1 o   34.538   0.7094  1158.21   47.547  1120.44   66.712  1197.19   67.783   33.966   1.0118   35.110   0.9946 -1.144432 1.418764 
1 1 1  -19    2    2 o   50.927   0.6196  2518.61   61.183  2520.96   84.565  2516.03   88.629   50.953   0.8550   50.902   0.8970 0.5102539E-01 1.239172 
1 1 1  -19    2    3 o   56.516   0.6348  3101.34   69.636  3051.47   97.939  3152.33   99.030   56.057   0.9000   56.976   0.8954 -0.9190750 1.269561 
1 1 1  -19    2    4 o   80.219   0.7355  6249.94  114.531  6255.36  162.404  6244.58  161.543   80.253   1.0425   80.184   1.0378 0.6892395E-01 1.471018 
1 1 1  -19    2    5 o   27.764   0.7633  749.229   41.087  704.949   58.017  793.778   58.194   26.940   1.1094   28.588   1.0486 -1.648121 1.526586 
1 1 1  -19    2    6 o   49.275   0.6100  2357.30   58.340  2390.97   83.109  2324.59   81.915   49.621   0.8628   48.928   0.8625 0.6935692 1.219952 
1 1 1  -19    2    7 o   62.802   0.6526  3830.63   79.544  3775.92  112.771  3884.81  112.214   62.355   0.9317   63.249   0.9140 -0.8933334 1.305118 
1 1 1  -19    2    8 o   54.139   0.6286  2845.03   66.039  2800.17   92.006  2892.70   94.846   53.699   0.8827   54.578   0.8952 -0.8796577 1.257178 
1 1 1  -19    2    9 o   36.923   0.6507  1323.94   46.637  1325.31   66.290  1322.60   65.623   36.942   0.9244   36.904   0.9160 0.3760147E-01 1.301416 
1 1 1  -19    2   10 o   24.076   0.8722  562.017   40.722  593.171   59.178  533.998   56.123   24.708   1.2338   23.443   1.2333 1.264767 1.744492 
1 1 1  -19    2   11 o   70.079   0.6853  4769.92   93.217  4679.68  131.577  4860.86  132.083   69.413   0.9765   70.744   0.9618 -1.331711 1.370639 
1 1 1  -19    2   12 o   58.438   0.6311  3315.31   71.569  3212.15  100.214  3422.70  102.246   57.510   0.8977   59.366   0.8872 -1.855415 1.262150 
1 1 1  -19    2   13 o   56.942   0.7702  3137.25   79.946  3187.68  140.089  3112.89   97.356   57.270   1.2601   56.613   0.8859 0.6564560 1.540359 
1 1 1  -19    2   14 o  107.005   1.2427 11144.12  258.115 10974.93  363.008 11317.13  367.085  106.183   1.7612  107.827   1.7538 -1.644005 2.485442 
1 1 1  -19    2   15 o   83.094   1.0593  6709.94  170.760  6872.12  246.957  6561.36  236.373   84.054   1.5136   82.135   1.4825 1.918861 2.118673 
1 1 1  -19    2   16 o   30.393   1.0731  907.921   62.630  817.493   92.608  984.143   85.023   28.978   1.6463   31.809   1.3770 -2.831274 2.146275 
1 1 1  -19    2   17 o   37.942   0.9302  1394.18   68.366  1511.35  100.414  1292.94   93.341   39.422   1.3122   36.462   1.3187 2.960068 1.860334 
1 1 1  -19    2   18 f   28.683   1.1429  803.107   63.468  766.021   91.756  837.127   87.882   28.042   1.6856   29.324   1.5439 -1.281183 2.285794 
1 1 1  -19    2   19 o   10.470   2.4165  100.306   59.290   49.466   85.402  147.610   82.377   8.8814   3.4522   12.058   3.3822 -3.177046 4.832904 
1 1 1  -19    2   20 o   18.816   1.7038  346.230   58.439  491.899   88.708  234.543   77.676   22.421   2.0382   15.212   2.7308 7.208697 3.407582 
1 1 1  -19    2   21 o   24.622   1.3323  606.452   62.249  496.474   92.237  698.442   84.357   22.500   2.1118   26.743   1.6250 -4.243132 2.664612 
1 1 1  -19    2   22 o   34.031   1.0612  1131.04   69.935  1135.89  102.589  1126.82   95.587   34.092   1.5502   33.970   1.4496 0.1216469 2.122332 
1 1 1  -19    2   23 o   6.4576   2.0930 -59.6835   60.118 -93.2433   87.180 -29.2552   83.013   6.0449   2.8514   6.8703   3.0645 -0.8253880 4.185937 
1 1 1  -19    2   24 o   15.448   2.1479  249.131   62.729  169.980   87.890  331.311   89.557   12.682   3.4697   18.214   2.5329 -5.532280 4.295863 
1 1 1  -19    2   25 o   18.939   1.8154  363.356   63.082  257.962   85.370  490.110   93.623   15.707   2.9069   22.171   2.1753 -6.463996 3.630741 
1 1 1  -19    2   26 o   44.877   0.8755  1931.46   73.010  2118.82  124.943  1834.32   89.968   46.438   1.3860   43.315   1.0700 3.123737 1.750998 
1 1 1  -19    2   27 o   10.212   2.3414  109.152   53.042  109.169   75.977  109.137   74.084   10.222   3.3334   10.203   3.2888 0.1887131E-01 4.682734 
1 1 1  -19    2   28 o   38.263   0.9163  1441.92   67.993  1414.64   93.780  1472.16   98.722   37.891   1.2750   38.635   1.3164 -0.7435837 1.832595 
1 1 1  -19    2   29 o   46.795   0.8877  2163.43   80.632  2188.82  114.491  2138.43  113.578   47.069   1.2530   46.521   1.2577 0.5479965 1.775372 
1 1 1  -19    3    1 f   59.799   0.6416  3472.49   74.476  3477.80  105.589  3467.22  105.063   59.844   0.9089   59.753   0.9058 0.9106064E-01 1.283194 
1 1 1  -19    3    2 o   97.317   0.8353  9199.99  157.796  9191.68  223.146  9208.31  223.168   97.273   1.1818   97.361   1.1808 -0.8799744E-01 1.670599 
1 1 1  -19    3    3 o  133.210   1.0463 17243.40  270.522 17440.47  385.934 17053.04  379.305  133.957   1.4842  132.462   1.4751 1.495163 2.092552 
1 1 1  -19    3    4 o   15.417   1.4270  239.315   39.789  160.162   55.590  322.461   56.975   12.622   2.3554   18.213   1.6115 -5.590371 2.853973 
1 1 1  -19    3    5 o   93.623   0.8098  8513.91  147.170  8464.37  207.028  8564.51  209.249   93.348   1.1425   93.898   1.1480 -0.5502167 1.619640 
1 1 1  -19    3    6 o   71.916   0.6904  5022.22   96.376  5117.13  137.091  4929.48  135.515   72.588   0.9729   71.245   0.9799 1.343697 1.380839 
1 1 1  -19    3    7 o   56.455   0.6242  3094.69   68.403  3132.71   97.240  3057.44   96.242   56.798   0.8820   56.112   0.8836 0.6864662 1.248419 
1 1 1  -19    3    8 o   74.431   0.7054  5379.34  101.903  5465.52  145.389  5296.12  142.869   75.017   0.9984   73.845   0.9967 1.171646 1.410740 
1 1 1  -19    3    9 o   88.603   0.7835  7625.39  134.754  7693.60  191.458  7558.44  189.695   88.995   1.1083   88.210   1.1078 0.7852097 1.567009 
1 1 1  -19    3   10 o  104.008   0.8792 10510.72  177.500 10538.10  251.753 10483.65  250.298  104.142   1.2453  103.873   1.2413 0.2689896 1.758337 
1 1 1  -19    3   11 o   85.921   0.7775  7171.58  129.671  7183.56  183.394  7159.62  183.371   85.992   1.0987   85.849   1.1004 0.1435013 1.554932 
1 1 1  -19    3   12 o   19.391   1.0982  365.632   41.328  374.815   58.600  356.544   58.295   19.633   1.5376   19.148   1.5683 0.4852047 2.196327 
1 1 1  -19    3   13 o   47.449   0.7514  2169.36   63.708  2233.07  116.235  2142.01   76.168   47.934   1.2492   46.964   0.8355 0.9701424 1.502847 
1 1 1  -19    3   14 o   48.966   0.8857  2329.61   83.966  2343.84  123.501  2317.37  114.502   49.103   1.2957   48.830   1.2080 0.2730446 1.771452 
1 1 1  -19    3   15 o   78.746   1.0149  6027.74  155.093  6141.50  222.584  5920.38  216.225   79.467   1.4429   78.025   1.4276 1.442085 2.029784 
1 1 1  -19    3   16 o   60.612   0.9111  3562.83  106.940  3705.36  157.909  3442.08  145.344   61.727   1.3179   59.498   1.2584 2.228260 1.822195 
1 1 1  -19    3   17 o   13.065   2.2581  178.268   57.234  135.692   86.851  210.950   76.094   11.694   3.5300   14.435   2.8168 -2.740488 4.516118 
1 1 1  -19    3   18 o   52.827   0.9003  2711.73   92.165  2755.54  134.717  2673.19  126.365   53.225   1.3039   52.429   1.2416 0.7960854 1.800504 
1 1 1  -19    3   19 o   76.032   1.0182  5628.62  150.233  5628.27  215.251  5628.97  209.778   76.026   1.4585   76.037   1.4212 -0.1097107E-01 2.036482 
1 1 1  -19    3   20 o   14.397   2.1076  216.688   57.483  154.262   85.818  267.490   77.417   12.289   3.4539   16.506   2.4162 -4.216580 4.215149 
1 1 1  -19    3   21 o   19.941   1.5604  392.501   59.900  371.218   89.223  409.966   80.822   19.430   2.3656   20.453   2.0357 -1.023235 3.120894 
1 1 1  -19    3   22 o   19.333   1.6747  368.789   62.795  371.933   87.283  365.415   90.412   19.425   2.3148   19.240   2.4207 0.1847801 3.349343 
1 1 1  -19    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19    3   24 o   28.416   1.2053  793.104   66.416  815.547   96.575  772.966   91.484   28.792   1.7279   28.041   1.6807 0.7515697 2.410506 
1 1 1  -19    3   25 o   14.945   1.9978  221.032   55.909  284.650   90.395  181.618   71.150   16.754   2.7795   13.136   2.8705 3.617851 3.995691 
1 1 1  -19    3   26 o   10.498   2.4435  112.402   56.633  110.509   92.537  113.535   71.609   10.570   3.6789   10.426   3.2169 0.1445341 4.886988 
1 1 1  -19    3   27 f   25.969   1.1173  667.394   56.305  690.223   80.269  645.280   79.001   26.410   1.5657   25.527   1.5943 0.8833199 2.234553 
1 1 1  -19    3   28 o   16.026   2.0036  283.141   58.577  387.402   81.818  173.496   83.904   19.558   2.1551   12.494   3.3784 7.064090 4.007259 
1 1 1  -19    3   29 o   23.987   1.4186  584.300   66.045  574.940   93.576  593.591   93.228   23.785   2.0267   24.190   1.9854 -0.4046516 2.837173 
1 1 1  -19    4    1 o   75.783   0.7198  5577.47  105.879  5535.97  148.997  5619.80  150.485   75.499   1.0167   76.068   1.0191 -0.5693436 1.439514 
1 1 1  -19    4    2 o   57.714   0.6335  3233.95   70.958  3332.74  101.027  3137.77   99.687   58.584   0.8884   56.844   0.9034 1.739956 1.267034 
1 1 1  -19    4    3 o   27.090   0.8263  713.010   43.373  658.140   60.827  769.770   61.865   26.028   1.2039   28.151   1.1321 -2.122454 1.652578 
1 1 1  -19    4    4 o   92.166   0.8062  8251.25  144.233  8353.39  204.368  8149.89  203.586   92.734   1.1353   91.597   1.1450 1.137154 1.612418 
1 1 1  -19    4    5 o  121.938   0.9868 14445.51  233.539 14204.68  327.238 14695.49  333.396  120.902   1.3943  122.973   1.3966 -2.070747 1.973512 
1 1 1  -19    4    6 o  110.887   0.9213 11946.14  198.299 11839.61  278.982 12054.92  281.917  110.387   1.3019  111.386   1.3038 -0.9990540 1.842566 
1 1 1  -19    4    7 o   58.146   0.6322  3283.02   71.352  3312.59  101.253  3253.84  100.563   58.406   0.8931   57.885   0.8950 0.5203629 1.264333 
1 1 1  -19    4    8 o   76.502   0.7096  5683.99  105.374  5742.05  149.426  5626.56  148.619   76.891   1.0011   76.113   1.0059 0.7774353 1.419174 
1 1 1  -19    4    9 f   90.513   0.7995  7953.83  140.419  8139.54  201.868  7779.73  195.451   91.536   1.1361   89.491   1.1251 2.045288 1.598923 
1 1 1  -19    4   10 o   87.427   0.9500  7442.80  152.862  7474.43  188.516  7382.08  261.201   87.717   1.1071   87.138   1.5442 0.5791855 1.900076 
1 1 1  -19    4   11 o   58.733   0.6374  3350.13   72.665  3351.12  103.148  3349.15  102.383   58.742   0.9046   58.725   0.8981 0.1697159E-01 1.274724 
1 1 1  -19    4   12 o   85.577   0.7696  7110.43  127.787  6975.61  177.647  7254.99  183.955   84.737   1.0800   86.416   1.0966 -1.679031 1.539127 
1 1 1  -19    4   13 o   32.959   0.8704  1064.01   51.264  1034.35   92.180  1077.29   61.683   32.615   1.4560   33.303   0.9542 -0.6876755 1.740775 
1 1 1  -19    4   14 o  125.857   1.3655 15427.43  333.612 15494.20  473.699 15361.73  469.921  126.127   1.9348  125.588   1.9276 0.5387268 2.731095 
1 1 1  -19    4   15 o   43.516   0.9018  1843.01   75.704  1821.31  113.234  1860.55  101.799   43.281   1.3478   43.752   1.1986 -0.4718361 1.803661 
1 1 1  -19    4   16 o  100.509   1.1998  9837.06  234.028  9833.10  334.740  9840.84  327.315  100.486   1.7161  100.533   1.6772 -0.4702759E-01 2.399590 
1 1 1  -19    4   17 o   58.229   0.9177  3297.86  103.550  3286.21  150.775  3308.26  142.463   58.128   1.3362   58.330   1.2582 -0.2014465 1.835356 
1 1 1  -19    4   18 o   31.051   1.0374  936.375   62.438  1009.08   90.478  870.272   86.274   32.200   1.4475   29.901   1.4864 2.298790 2.074735 
1 1 1  -19    4   19 o   21.386   1.4366  441.070   59.125  531.726   88.899  369.163   79.174   23.336   1.9625   19.436   2.0985 3.900066 2.873127 
1 1 1  -19    4   20 o   20.156   6.8123 -880.7382  747.824 -807.4156  1006.61 -971.0524  1117.17   19.861   9.4617   20.451   9.8034 -0.5897045 13.62465 
1 1 1  -19    4   21 o   34.070   1.0293  1132.81   67.802  1126.35  100.339  1138.25   91.979   33.973   1.5215   34.168   1.3868 -0.1947289 2.058667 
1 1 1  -19    4   22 o   61.975   0.9608  3749.26  115.553  3665.51  164.107  3831.62  162.735   61.283   1.3795   62.667   1.3378 -1.383606 1.921622 
1 1 1  -19    4   23 o   25.131   1.3544  622.844   65.302  606.594   99.542  635.121   86.523   24.816   2.0663   25.446   1.7517 -0.6291332 2.708892 
1 1 1  -19    4   24 o   41.571   0.9791  1692.80   78.900  1679.61  114.343  1704.80  109.012   41.406   1.4226   41.736   1.3455 -0.3296661 1.958115 
1 1 1  -19    4   25 o   8.3563   2.3480   40.372   54.472   65.250   93.470   27.578   67.031   9.3188   3.6146   7.3938   2.9978 1.925047 4.695945 
1 1 1  -19    4   26 o   25.324   1.2989  626.449   61.746  673.634  102.687  599.726   77.277   25.999   2.0347   24.650   1.6150 1.348330 2.597705 
1 1 1  -19    4   27 o   18.065   1.8204  321.932   62.166  385.969  103.103  285.355   77.923   19.365   2.7428   16.765   2.3944 2.600277 3.640867 
1 1 1  -19    4   28 o   35.892   0.9174  1277.89   63.498  1140.82   91.339  1406.10   88.337   33.979   1.3848   37.805   1.2037 -3.826271 1.834842 
1 1 1  -19    4   29 o   26.642   1.2852  714.852   66.442  728.094   95.598  702.480   92.410   26.872   1.8326   26.412   1.8024 0.4607658 2.570477 
1 1 1  -19    5    1 o   32.378   0.7383  1018.25   46.389  1017.06   66.465  1019.39   64.774   32.360   1.0581   32.397   1.0300 -0.3764725E-01 1.476630 
1 1 1  -19    5    2 o   80.859   0.7367  6349.92  115.624  6326.78  162.622  6373.56  164.426   80.710   1.0380   81.007   1.0456 -0.2974396 1.473347 
1 1 1  -19    5    3 o   99.764   0.8467  9666.12  163.956  9510.00  229.527  9828.79  234.284   98.942   1.1951  100.586   1.1999 -1.644333 1.693486 
1 1 1  -19    5    4 o   70.954   0.6824  4889.26   93.996  4882.06  132.546  4896.55  133.317   70.902   0.9630   71.007   0.9672 -0.1049652 1.364895 
1 1 1  -19    5    5 o   89.977   0.7857  7863.15  137.214  7904.01  195.884  7823.78  192.267   90.206   1.1187   89.748   1.1036 0.4580307 1.571416 
1 1 1  -19    5    6 o   59.370   0.6298  3423.00   72.579  3463.56  102.595  3382.36  102.690   59.722   0.8850   59.018   0.8964 0.7045670 1.259609 
1 1 1  -19    5    7 o  138.906   1.0886 18757.20  293.497 18839.08  412.213 18673.00  417.982  139.215   1.5253  138.596   1.5536 0.6188507 2.177241 
1 1 1  -19    5    8 o  113.933   0.9416 12614.22  208.240 12703.38  293.822 12524.23  295.174  114.338   1.3238  113.527   1.3394 0.8106308 1.883217 
1 1 1  -19    5    9 o   44.931   0.6181  1960.93   53.900  1924.16   76.579  1997.02   75.877   44.513   0.8863   45.349   0.8619 -0.8356438 1.236286 
1 1 1  -19    5   10 o   81.493   0.7439  6450.85  117.685  6499.46  166.625  6402.48  166.240   81.800   1.0494   81.187   1.0548 0.6128769 1.487895 
1 1 1  -19    5   11 o   92.437   0.8166  8301.22  146.529  8266.66  205.977  8336.64  208.493   92.243   1.1503   92.632   1.1595 -0.3888397 1.633297 
1 1 1  -19    5   12 o  101.010   0.8674  9913.89  170.066 10042.74  241.683  9787.51  239.353  101.660   1.2247  100.360   1.2286 1.300499 1.734757 
1 1 1  -19    5   13 o   39.591   0.7878  1478.18   56.424  1645.70  102.404  1405.14   67.613   41.147   1.2821   38.035   0.9158 3.112583 1.575535 
1 1 1  -19    5   14 o   71.121   0.9599  4915.39  132.464  4996.34  190.858  4840.15  183.994   71.685   1.3716   70.558   1.3434 1.126892 1.919847 
1 1 1  -19    5   15 o   50.602   0.8732  2483.35   85.385  2545.98  127.637  2432.62  114.874   51.175   1.2849   50.029   1.1829 1.146072 1.746433 
1 1 1  -19    5   16 o   53.396   5.1015  2926.30  528.300  2839.57  728.538  3022.48  767.220   52.595   7.1358   54.197   7.2925 -1.601974 10.20297 
1 1 1  -19    5   17 o   75.101   1.0051  5480.26  146.204  5584.77  214.888  5390.20  199.497   75.762   1.4612   74.440   1.3806 1.321609 2.010227 
1 1 1  -19    5   18 o   37.457   0.9908  1374.02   70.861  1313.53  109.292  1417.89   93.074   36.731   1.5328   38.182   1.2558 -1.450409 1.981513 
1 1 1  -19    5   19 o   74.411   1.0191  5386.97  147.102  5512.90  212.978  5272.09  203.420   75.239   1.4582   73.583   1.4241 1.655945 2.038277 
1 1 1  -19    5   20 o   49.173   0.9128  2359.32   86.719  2305.46  128.263  2404.68  117.695   48.646   1.3583   49.700   1.2199 -1.053734 1.825697 
1 1 1  -19    5   21 o   14.520   2.1570  220.813   58.652  177.624   92.537  249.813   75.828   13.111   3.5491   15.929   2.4523 -2.817835 4.313915 
1 1 1  -19    5   22 o   22.973   1.3535  510.667   59.937  594.685   90.990  446.265   79.663   24.621   1.9038   21.326   1.9244 3.295029 2.706983 
1 1 1  -19    5   23 o   62.034   0.9587  3757.96  115.426  3849.49  164.799  3669.83  161.719   62.776   1.3524   61.292   1.3592 1.484383 1.917402 
1 1 1  -19    5   24 o   53.601   0.9464  2806.47   98.349  2921.63  143.468  2704.38  135.082   54.631   1.3529   52.570   1.3237 2.060825 1.892725 
1 1 1  -19    5   25 o   7.1753   2.2210  -7.6972   56.028  -4.1131   96.412  -9.5248   68.847   7.8231   3.4022   6.5275   2.8560 1.295600 4.442025 
1 1 1  -19    5   26 o   20.395   1.5780  420.111   59.593  405.274   99.444  428.425   74.440   20.010   2.5602   20.779   1.8455 -0.7698460 3.156002 
1 1 1  -19    5   27 o   9.2759   2.4803   72.324   58.998   88.819   99.519   63.385   73.259   9.9507   3.7621   8.6012   3.2331 1.349447 4.960507 
1 1 1  -19    5   28 o   23.695   1.2897  558.019   58.986  600.180   89.311  525.399   78.557   24.460   1.8810   22.930   1.7649 1.529867 2.579355 
1 1 1  -19    5   29 o   18.788   1.7512  365.132   63.681  404.092   93.906  331.960   86.649   19.723   2.4527   17.853   2.5002 1.869698 3.502450 
1 1 1  -19    6    1 o   56.544   0.6417  3101.69   70.398  3220.31  101.439  2991.48   97.778   57.586   0.9074   55.502   0.9075 2.083668 1.283389 
1 1 1  -19    6    2 o   76.378   0.7116  5665.10  105.499  5741.20  149.974  5590.57  148.434   76.886   1.0049   75.870   1.0079 1.015457 1.423207 
1 1 1  -19    6    3 o   69.647   0.6818  4710.68   92.166  4714.81  131.483  4706.70  129.231   69.676   0.9721   69.617   0.9563 0.5927277E-01 1.363632 
1 1 1  -19    6    4 f   37.434   0.6551  1360.83   47.600  1359.67   66.740  1362.03   67.908   37.418   0.9188   37.450   0.9341 -0.3211212E-01 1.310274 
1 1 1  -19    6    5 o  124.334   1.0015 15022.75  241.711 14878.86  340.850 15168.31  342.820  123.735   1.4191  124.933   1.4136 -1.198349 2.003006 
1 1 1  -19    6    6 o   71.817   0.6956  5009.08   96.972  5001.15  137.163  5017.00  137.117   71.760   0.9847   71.874   0.9828 -0.1136703 1.391189 
1 1 1  -19    6    7 o   45.912   0.6194  2047.01   55.188  2049.40   77.098  2044.50   79.034   45.940   0.8645   45.884   0.8873 0.5544281E-01 1.238865 
1 1 1  -19    6    8 o   65.235   0.6547  4132.69   82.903  4121.16  116.710  4144.44  117.783   65.143   0.9229   65.327   0.9288 -0.1835556 1.309389 
1 1 1  -19    6    9 o   31.685   0.6934  975.292   42.636  952.643   60.435  997.734   60.159   31.318   0.9941   32.052   0.9669 -0.7332230 1.386768 
1 1 1  -19    6   10 o   79.549   0.7360  6142.51  113.620  6353.97  163.064  5942.97  158.404   80.879   1.0386   78.219   1.0432 2.659821 1.472100 
1 1 1  -19    6   11 o   82.125   0.7541  6550.26  120.204  6425.17  168.579  6679.65  171.447   81.328   1.0678   82.923   1.0651 -1.595123 1.508208 
1 1 1  -19    6   12 o   34.965   0.6868  1188.23   46.585  1221.26   65.381  1154.16   66.394   35.459   0.9498   34.470   0.9923 0.9890938 1.373600 
1 1 1  -19    6   13 o   52.963   0.7791  2669.72   73.701  2867.56  135.889  2587.26   87.725   54.314   1.2889   51.612   0.8756 2.701992 1.558149 
1 1 1  -19    6   14 o   43.899   0.8702  1868.85   73.818  1915.81  110.326  1830.78   99.327   44.395   1.2802   43.403   1.1789 0.9913902 1.740346 
1 1 1  -19    6   15 o   43.838   0.8763  1856.81   73.619  1937.44  114.622  1800.20   96.050   44.639   1.3228   43.038   1.1497 1.600662 1.752585 
1 1 1  -19    6   16 o  104.762   1.2678 10691.77  257.799 10621.11  366.729 10760.80  362.474  104.416   1.8093  105.108   1.7766 -0.6913452 2.535689 
1 1 1  -19    6   17 o   99.779   1.2310  9696.73  238.187  9711.67  344.947  9683.11  329.291   99.844   1.7798   99.713   1.7012 0.1309967 2.462060 
1 1 1  -19    6   18 o   56.970   0.9239  3149.69  101.662  3229.97  152.391  3085.31  136.467   57.617   1.3625   56.323   1.2482 1.293930 1.847812 
1 1 1  -19    6   19 f   22.099   1.4538  487.970   60.345  428.960   94.922  527.995   78.177   20.930   2.3363   23.267   1.7309 -2.336855 2.907604 
1 1 1  -19    6   20 o   58.557   0.9398  3342.17  106.653  3301.16  154.690  3379.32  147.246   58.207   1.3690   58.906   1.2877 -0.6980782 1.879502 
1 1 1  -19    6   21 o   45.439   0.9280  2005.85   80.821  2053.08  125.273  1972.18  105.781   45.882   1.4065   44.997   1.2110 0.8851357 1.856066 
1 1 1  -19    6   22 f   64.612   0.9655  4062.76  120.807  4241.71  178.353  3911.05  164.214   65.915   1.3939   63.309   1.3362 2.606400 1.930913 
1 1 1  -19    6   23 o   30.494   1.1044  909.563   65.229  921.954   95.775  898.843   89.084   30.679   1.6082   30.308   1.5142 0.3712425 2.208863 
1 1 1  -19    6   24 o   27.877   1.1023  760.162   56.085  771.385   97.904  754.680   68.426   27.975   1.8029   27.778   1.2690 0.1972313 2.204677 
1 1 1  -19    6   25 o   11.150   2.3544  125.489   53.596  159.595   88.058  105.420   67.549   12.205   3.5216   10.096   3.1259 2.108856 4.708844 
1 1 1  -19    6   26 o   26.805   1.2622  739.244   62.229  613.047  100.510  817.687   79.244   24.775   2.0899   28.834   1.4158 -4.058569 2.524304 
1 1 1  -19    6   27 o   9.5427   2.4709   85.153   57.922   79.213   99.794   88.171   71.128   9.6961   3.7421   9.3892   3.2278 0.3068666 4.941840 
1 1 1  -19    6   28 o   16.558   1.7820  282.502   57.233  276.032   81.868  288.686   80.042   16.350   2.5794   16.767   2.4593 -0.4164009 3.563910 
1 1 1  -19    6   29 o   23.124   1.4225  544.096   63.791  518.057   90.231  570.114   90.197   22.544   2.0618   23.704   1.9602 -1.160103 2.844902 
1 1 1  -19    7    1 o  153.975   1.1101 23048.19  331.025 23058.12  452.885 23036.80  485.048  154.019   1.5148  153.931   1.6233 0.8799744E-01 2.220265 
1 1 1  -19    7    2 o   42.345   0.6527  1742.43   53.618  1798.94   75.392  1684.59   76.270   43.041   0.9024   41.649   0.9434 1.391449 1.305454 
1 1 1  -19    7    3 o   36.373   0.8879  1314.15   57.231  1358.96   68.833  1213.78  103.009   37.408   0.9479   35.338   1.5016 2.069805 1.775803 
1 1 1  -19    7    4 o  157.795   1.1824 24204.18  362.125 23762.02  507.822 24661.63  516.532  156.329   1.6734  159.261   1.6708 -2.932190 2.364723 
1 1 1  -19    7    5 o   28.077   1.0424  786.711   51.256  815.979   61.198  717.940   93.810   28.984   1.0877   27.170   1.7787 1.814039 2.084896 
1 1 1  -19    7    6 o   82.862   0.7536  6668.64  121.205  6692.35  172.986  6645.78  169.876   83.006   1.0736   82.718   1.0580 0.2884216 1.507266 
1 1 1  -19    7    7 o  111.249   0.9321 12024.43  201.272 12218.92  286.446 11834.77  282.871  112.138   1.3159  110.361   1.3204 1.777252 1.864161 
1 1 1  -19    7    8 o   80.916   0.7463  6359.47  117.227  6388.10  166.244  6331.15  165.329   81.097   1.0560   80.735   1.0549 0.3622284 1.492672 
1 1 1  -19    7    9 f   82.728   0.7504  6646.38  120.494  6500.09  169.133  6797.16  171.705   81.803   1.0651   83.652   1.0574 -1.848854 1.500849 
1 1 1  -19    7   10 o   27.827   0.7693  752.734   41.524  735.595   59.456  769.053   58.017   27.517   1.1131   28.137   1.0622 -0.6199760 1.538572 
1 1 1  -19    7   11 o  130.080   1.0543 16452.32  266.195 16336.43  378.345 16565.94  374.596  129.624   1.5036  130.536   1.4783 -0.9111023 2.108619 
1 1 1  -19    7   12 o   51.785   0.6232  2604.51   62.645  2580.26   88.551  2628.80   88.636   51.544   0.8850   52.026   0.8776 -0.4827576 1.246407 
1 1 1  -19    7   13 o   79.166   0.9048  6079.85  130.461  6127.47  228.532  6056.84  158.897   79.375   1.4832   78.957   1.0367 0.4181213 1.809593 
1 1 1  -19    7   14 o   57.054   0.8986  3175.90   99.058  3017.21  145.083  3314.48  135.578   55.709   1.3416   58.399   1.1960 -2.689869 1.797294 
1 1 1  -19    7   15 o   27.231   1.0629  718.209   55.816  748.333   84.617  695.006   74.264   27.731   1.5719   26.731   1.4312 1.000416 2.125841 
1 1 1  -19    7   16 o   12.748   2.2383  147.645   57.950  269.938   92.972   69.944   74.108   16.337   3.0437   9.1589   3.2827 7.177758 4.476670 
1 1 1  -19    7   17 o   45.064   0.9406  1964.06   81.657  2062.17  124.552  1890.11  108.141   46.041   1.3936   44.087   1.2636 1.953465 1.881189 
1 1 1  -19    7   18 o   47.175   0.9192  2175.85   83.745  1993.55  121.043  2343.24  115.985   45.263   1.3776   49.086   1.2172 -3.823162 1.838348 
1 1 1  -19    7   19 o   53.876   0.9178  2831.39   95.536  2755.77  141.106  2895.40  129.816   53.202   1.3663   54.550   1.2259 -1.347736 1.835693 
1 1 1  -19    7   20 o   54.795   0.9132  2922.82   96.588  2938.93  144.682  2909.86  129.730   54.922   1.3571   54.669   1.2225 0.2525520 1.826494 
1 1 1  -19    7   21 o   42.966   0.9540  1813.35   78.727  1692.64  117.922  1910.42  105.745   41.650   1.4585   44.283   1.2302 -2.632080 1.908021 
1 1 1  -19    7   22 o   10.942   2.4150  118.761   55.795  125.329   90.147  114.683   71.037   11.247   3.6281   10.636   3.1885 0.6113796 4.830086 
1 1 1  -19    7   23 o   39.225   0.9681  1491.58   73.187  1600.12  111.738  1410.03   96.854   40.454   1.4229   37.996   1.3132 2.458294 1.936220 
1 1 1  -19    7   24 o   24.185   1.2267  557.024   54.532  634.957   96.231  520.160   66.185   25.342   1.9562   23.027   1.4806 2.314932 2.453329 
1 1 1  -19    7   25 o   43.658   0.8742  1860.50   70.893  1890.49  119.397  1844.17   88.106   43.871   1.4020   43.445   1.0447 0.4259415 1.748447 
1 1 1  -19    7   26 o   23.428   1.4277  570.979   59.993  478.951  102.149  619.437   74.123   21.788   2.4152   25.067   1.5233 -3.278427 2.855426 
1 1 1  -19    7   27 o   8.8247   2.4100   53.967   57.875   99.099   93.935   26.353   73.478   10.122   3.6865   7.5270   3.1052 2.595434 4.820053 
1 1 1  -19    7   28 o   7.1987   2.1681   6.2785   54.170 -24.1588   74.923   39.618   78.414   6.4027   2.8795   7.9947   3.2420 -1.592009 4.336119 
1 1 1  -19    7   29 o   17.009   1.9484  313.569   60.830  406.747   86.919  224.121   85.162   19.878   2.2526   14.140   3.1798 5.737887 3.896796 
1 1 1  -19    8    1 o   77.167   0.7123  5779.19  106.527  5711.13  146.233  5856.14  155.498   76.685   0.9824   77.649   1.0316 -0.9649429 1.424532 
1 1 1  -19    8    2 o  164.834   1.2250 26427.53  391.818 26656.50  548.128 26188.28  560.300  165.569   1.7054  164.099   1.7589 1.470276 2.449980 
1 1 1  -19    8    3 o   50.319   0.6147  2458.87   60.041  2476.53   84.651  2440.99   85.173   50.501   0.8635   50.137   0.8751 0.3640137 1.229440 
1 1 1  -19    8    4 o   79.824   0.7406  6187.42  114.745  6088.07  160.814  6290.45  163.774   79.172   1.0464   80.477   1.0484 -1.305008 1.481201 
1 1 1  -19    8    5 f  101.503   0.8690 10009.42  171.211  9988.11  241.086 10031.11  243.185  101.395   1.2249  101.612   1.2329 -0.2173462 1.737917 
1 1 1  -19    8    6 o   34.831   0.6695  1176.80   45.179  1156.64   61.773  1199.97   66.248   34.511   0.9221   35.151   0.9709 -0.6393929 1.338984 
1 1 1  -19    8    7 o   37.337   0.6590  1353.48   47.741  1364.26   68.663  1343.40   66.424   37.480   0.9437   37.193   0.9200 0.2871208 1.317982 
1 1 1  -19    8    8 f   37.833   0.6527  1388.98   47.729  1401.62   71.018  1378.57   64.457   37.989   0.9630   37.677   0.8813 0.3117714 1.305417 
1 1 1  -19    8    9 o   13.569   1.5321  183.711   38.969  156.149   55.830  209.895   54.417   12.451   2.3970   14.687   1.9087 -2.236062 3.064100 
1 1 1  -19    8   10 o   42.632   0.6200  1765.32   51.293  1753.55   73.358  1776.59   71.747   42.493   0.8893   42.772   0.8641 -0.2789421 1.240022 
1 1 1  -19    8   11 o   59.107   0.6430  3390.35   73.736  3481.19  106.296  3306.10  102.371   59.870   0.9146   58.345   0.9039 1.524612 1.285902 
1 1 1  -19    8   12 o   57.607   0.6365  3223.20   71.172  3222.64  100.574  3223.75  100.731   57.603   0.8995   57.612   0.9007 -0.9887695E-02 1.272909 
1 1 1  -19    8   13 o   67.721   0.8294  4398.67  101.400  4614.72  182.374  4302.00  121.995   68.894   1.3637   66.548   0.9444 2.345360 1.658765 
1 1 1  -19    8   14 f   10.191   2.2885  100.350   50.997   86.759   76.800  111.069   68.204   9.8148   3.3546   10.568   3.1138 -0.7527294 4.577011 
1 1 1  -19    8   15 o   21.133   1.4394  445.861   55.945  400.883   93.091  471.289   69.994   20.262   2.3668   22.004   1.6387 -1.741892 2.878756 
1 1 1  -19    8   16 o   69.439   0.9877  4685.21  132.834  4761.16  195.206  4619.72  181.278   69.958   1.4374   68.920   1.3550 1.038132 1.975399 
1 1 1  -19    8   17 o   71.525   0.9990  4978.31  138.408  4962.20  202.286  4992.49  189.789   71.410   1.4593   71.639   1.3648 -0.2291870 1.998018 
1 1 1  -19    8   18 o   46.744   0.8741  2116.27   79.040  2227.91  117.810  2024.89  106.588   47.858   1.2681   45.630   1.2033 2.227642 1.748197 
1 1 1  -19    8   19 o   92.386   1.1952  8326.03  214.280  8280.69  306.378  8369.43  299.804   92.134   1.7131   92.638   1.6672 -0.5047150 2.390411 
1 1 1  -19    8   20 o   7.5365   2.2542  -3.0742   57.601   36.720   86.512 -34.7632   77.201   8.5484   3.4267   6.5247   2.9296 2.023675 4.508303 
1 1 1  -19    8   21 o   34.284   1.0024  1135.22   64.796  1193.83  106.154  1100.42   81.803   34.963   1.5641   33.604   1.2540 1.358593 2.004751 
1 1 1  -19    8   22 o   33.683   1.0483  1112.28   67.597  1086.23  103.954  1131.37   88.977   33.320   1.6072   34.046   1.3463 -0.7256813 2.096576 
1 1 1  -19    8   23 o   23.112   1.2972  523.655   57.837  536.271   87.203  513.747   77.280   23.345   1.9243   22.878   1.7401 0.4671288 2.594383 
1 1 1  -19    8   24 o   17.952   1.5557  299.493   50.622  379.790   93.519  266.214   60.205   19.488   2.4722   16.417   1.8892 3.071129 3.111394 
1 1 1  -19    8   25 o   23.842   1.2138  548.510   54.342  613.511   91.006  512.490   67.746   24.870   1.8851   22.814   1.5297 2.055763 2.427649 
1 1 1  -19    8   26 o   30.326   1.1279  927.979   62.237  848.501  106.154  969.606   76.825   29.216   1.8717   31.436   1.2590 -2.219055 2.255749 
1 1 1  -19    8   27 o   23.856   1.3728  570.068   61.387  568.838  100.589  570.798   77.490   23.738   2.1829   23.973   1.6652 -0.2345905 2.745507 
1 1 1  -19    8   28 o   12.800   2.3581  187.956   59.253  150.362   95.798  211.250   75.408   11.617   3.7394   13.984   2.8740 -2.367324 4.716204 
1 1 1  -19    8   29 o   9.8557   2.3448   94.049   59.426  169.259   83.205   15.738   84.903   12.168   3.3943   7.5433   3.2359 4.624661 4.689550 
1 1 1  -19    9    1 o   9.0594   2.0314   78.567   40.132   83.479   56.898   73.705   56.615   9.2702   2.8687   8.8487   2.8771 0.4215202 4.062871 
1 1 1  -19    9    2 o  110.178   0.8966 11786.26  191.514 11641.70  263.528 11948.05  278.800  109.465   1.2402  110.891   1.2952 -1.425934 1.793202 
1 1 1  -19    9    3 o  125.958   1.0075 15417.52  246.319 15297.85  345.994 15540.50  350.750  125.463   1.4207  126.453   1.4289 -0.9901657 2.014955 
1 1 1  -19    9    4 o   33.621   0.6997  1097.74   45.650  1063.59   64.251  1132.54   64.871   33.093   1.0002   34.149   0.9786 -1.056217 1.399303 
1 1 1  -19    9    5 o   83.264   0.7509  6733.30  121.354  6674.10  170.499  6794.08  172.764   82.893   1.0596   83.635   1.0641 -0.7415237 1.501707 
1 1 1  -19    9    6 o   60.517   0.6399  3556.00   75.162  3492.36  105.610  3621.31  106.995   59.969   0.9072   61.066   0.9026 -1.097225 1.279749 
1 1 1  -19    9    7 o   86.738   0.7718  7306.56  129.926  7399.81  185.564  7216.88  181.975   87.281   1.0952   86.195   1.0876 1.085144 1.543501 
1 1 1  -19    9    8 o   64.665   0.6589  4060.91   82.711  4068.67  117.490  4053.28  116.460   64.726   0.9351   64.604   0.9287 0.1222229 1.317884 
1 1 1  -19    9    9 o   24.932   0.8346  605.876   39.944  590.388   60.796  617.640   52.985   24.649   1.2706   25.216   1.0825 -0.5664749 1.669188 
1 1 1  -19    9   10 f   70.621   0.6828  4842.04   93.582  4929.30  134.216  4759.48  130.551   71.240   0.9705   70.002   0.9607 1.237404 1.365636 
1 1 1  -19    9   11 o   86.220   0.7780  7221.89  130.212  7260.71  184.694  7183.53  183.606   86.450   1.1006   85.989   1.1000 0.4606018 1.556018 
1 1 1  -19    9   12 o   97.400   0.8524  9216.85  161.131  9340.83  230.628  9098.63  225.216   98.039   1.2118   96.761   1.1990 1.278091 1.704775 
1 1 1  -19    9   13 o   27.003   0.9851  690.319   48.494  762.770   86.563  657.182   58.543   28.000   1.5926   26.005   1.1597 1.995689 1.970107 
1 1 1  -19    9   14 o   61.278   0.9110  3640.44  107.465  3724.75  163.646  3576.51  142.495   61.895   1.3620   60.662   1.2101 1.233025 1.821939 
1 1 1  -19    9   15 o   23.647   1.2580  531.331   55.551  592.533   94.327  498.833   68.735   24.655   1.9709   22.640   1.5640 2.015194 2.516081 
1 1 1  -19    9   16 o   29.672   1.1114  870.546   62.310  791.219   97.619  925.088   80.945   28.502   1.7644   30.841   1.3521 -2.339052 2.222852 
1 1 1  -19    9   17 o   36.464   0.9789  1299.49   67.599  1266.06  107.449  1321.40   86.967   36.064   1.5348   36.864   1.2153 -0.7996941 1.957716 
1 1 1  -19    9   18 o   78.974   1.0599  6073.86  162.358  6036.83  233.958  6108.26  225.494   78.736   1.5307   79.211   1.4665 -0.4751282 2.119854 
1 1 1  -19    9   19 o   28.059   1.1817  759.880   62.534  801.566  102.444  735.122   78.950   28.651   1.8420   27.467   1.4807 1.183828 2.363349 
1 1 1  -19    9   20 o   56.976   0.9081  3168.02  100.226  3043.64  144.706  3282.71  138.951   55.892   1.3338   58.061   1.2328 -2.169792 1.816264 
1 1 1  -19    9   21 o   22.541   1.4262  507.577   60.553  455.725   95.196  542.813   78.475   21.523   2.2785   23.558   1.7160 -2.034975 2.852406 
1 1 1  -19    9   22 o   22.283   1.4550  505.771   59.306  430.941   97.968  549.057   74.510   20.880   2.4171   23.686   1.6205 -2.806648 2.910042 
1 1 1  -19    9   23 o   15.714   1.7200  230.802   49.857  292.037   88.682  202.504   60.286   17.113   2.6696   14.315   2.1694 2.797764 3.439909 
1 1 1  -19    9   24 o   39.326   0.8736  1472.95   62.166  1622.19  112.455  1407.27   74.601   40.673   1.4243   37.979   1.0119 2.694157 1.747161 
1 1 1  -19    9   25 o   7.0275   2.0588  -2.1782   52.134 -107.2707   85.978   58.931   65.563   5.7368   2.7419   8.3182   3.0719 -2.581393 4.117577 
1 1 1  -19    9   26 o   21.052   1.5701  469.861   58.905  372.702   99.404  522.443   73.128   19.119   2.6784   22.984   1.6390 -3.865557 3.140121 
1 1 1  -19    9   27 f   29.812   1.1378  863.145   63.556  952.042  106.710  814.276   79.120   30.905   1.7787   28.719   1.4192 2.185970 2.275543 
1 1 1  -19    9   28 o   15.813   2.1839  258.377   62.181  327.538  107.160  223.270   76.349   17.228   3.3247   14.397   2.8328 2.831162 4.367867 
1 1 1  -19    9   29 o   7.5647   2.2726   14.359   59.715 -23.5453   84.895   51.479   84.012   6.7654   3.0517   8.3640   3.3683 -1.598596 4.545198 
1 1 1  -19   10    1 o   66.614   0.6754  4308.22   87.309  4260.64  121.715  4358.66  125.312   66.235   0.9466   66.992   0.9636 -0.7567978 1.350813 
1 1 1  -19   10    2 o   24.094   0.9280  564.259   43.344  567.628   59.853  560.544   62.853   24.170   1.2757   24.017   1.3481 0.1528091 1.856013 
1 1 1  -19   10    3 o   67.434   0.6766  4415.98   88.562  4396.58  124.146  4436.08  126.374   67.284   0.9505   67.585   0.9633 -0.3010941 1.353268 
1 1 1  -19   10    4 o   99.108   0.8537  9542.68  164.219  9541.54  230.505  9543.85  234.016   99.103   1.1982   99.114   1.2163 -0.1062012E-01 1.707369 
1 1 1  -19   10    5 o   28.332   0.7694  780.097   42.246  773.088   61.416  786.391   58.202   28.211   1.1215   28.454   1.0537 -0.2430687 1.538867 
1 1 1  -19   10    6 o   83.049   0.7507  6698.29  121.008  6761.55  172.882  6637.53  169.432   83.433   1.0674   82.665   1.0559 0.7680664 1.501426 
1 1 1  -19   10    7 o   95.792   0.8309  8914.67  154.504  8860.10  218.475  8969.26  218.528   95.498   1.1785   96.085   1.1716 -0.5870285 1.661815 
1 1 1  -19   10    8 o   31.483   0.9630  961.039   53.289  958.006   63.101  968.580   99.504   31.405   1.0351   31.561   1.6242 -0.1554642 1.925936 
1 1 1  -19   10    9 f   65.388   0.6613  4152.43   83.933  4092.78  118.428  4212.63  118.973   64.916   0.9398   65.860   0.9306 -0.9440536 1.322587 
1 1 1  -19   10   10 o   69.692   0.6836  4714.82   92.456  4846.00  132.600  4590.70  128.979   70.635   0.9671   68.749   0.9665 1.885773 1.367216 
1 1 1  -19   10   11 o   89.344   0.8014  7754.97  138.988  7676.66  195.562  7834.89  197.572   88.888   1.1334   89.800   1.1334 -0.9113693 1.602857 
1 1 1  -19   10   12 o   57.396   0.6354  3199.39   70.761  3211.91  101.681  3187.64   98.536   57.505   0.9109   57.288   0.8861 0.2165642 1.270768 
1 1 1  -19   10   13 o   67.592   0.8513  4448.68  103.597  4417.84  184.782  4462.82  125.108   67.404   1.4123   67.780   0.9509 -0.3767014 1.702524 
1 1 1  -19   10   14 o   58.218   0.9071  3268.61  101.442  3469.96  156.974  3124.23  132.928   59.740   1.3536   56.696   1.2078 3.043957 1.814155 
1 1 1  -19   10   15 o   56.104   0.8866  3055.03   96.155  3118.64  143.257  3002.87  129.717   56.630   1.3032   55.577   1.2024 1.053089 1.773111 
1 1 1  -19   10   16 o   38.509   0.9414  1449.29   69.000  1405.27  107.981  1479.67   89.702   38.005   1.4637   39.014   1.1844 -1.009357 1.882881 
1 1 1  -19   10   17 f   28.053   1.1791  766.117   61.357  767.827  103.343  765.186   76.251   28.063   1.8971   28.043   1.4007 0.1949120E-01 2.358155 
1 1 1  -19   10   18 o   85.883   1.1430  7190.20  190.380  7082.16  274.072  7290.93  264.650   85.251   1.6561   86.515   1.5759 -1.263641 2.286068 
1 1 1  -19   10   19 o   79.637   1.0857  6175.83  167.370  6269.65  246.932  6096.11  227.638   80.184   1.5864   79.090   1.4827 1.094208 2.171454 
1 1 1  -19   10   20 o   55.062   0.9229  2943.82   97.800  3027.67  149.230  2880.69  129.483   55.735   1.3793   54.389   1.2264 1.345802 1.845707 
1 1 1  -19   10   21 o   47.118   0.9275  2155.16   82.994  2210.92  132.574  2119.23  106.429   47.596   1.4349   46.641   1.1755 0.9550781 1.854949 
1 1 1  -19   10   22 o   47.514   0.9450  2203.19   86.122  2207.76  132.448  2199.84  113.357   47.536   1.4353   47.493   1.2296 0.4365158E-01 1.889996 
1 1 1  -19   10   23 o   22.750   1.2377  506.243   50.206  514.149   91.507  502.838   60.052   22.823   2.0655   22.677   1.3642 0.1452541 2.475325 
1 1 1  -19   10   24 o   24.375   1.2388  584.425   53.675  589.501   98.144  582.259   64.112   24.374   2.0743   24.377   1.3549 -0.3231049E-02 2.477607 
1 1 1  -19   10   25 o   26.036   1.1935  659.461   56.441  698.643  100.414  641.365   68.241   26.516   1.9508   25.556   1.3756 0.9608135 2.387032 
1 1 1  -19   10   26 o   12.470   2.1427  190.190   56.525   47.389  101.373  254.619   68.093   9.0201   3.6755   15.920   2.2033 -6.900343 4.285352 
1 1 1  -19   10   27 o   14.761   2.2822  231.056   61.753  266.371  102.722  211.071   77.276   15.510   3.4955   14.011   2.9352 1.498623 4.564384 
1 1 1  -19   10   28 o   8.6564   2.4268   55.366   62.166   10.222   99.710   84.072   79.511   8.0150   3.4727   9.2978   3.3908 -1.282800 4.853620 
1 1 1  -19   10   29 o   8.6874   2.3892   65.450   57.881   60.479   81.485   70.512   82.232   8.5370   3.3567   8.8379   3.4008 -0.3008299 4.778360 
1 1 1  -19   11    1 o   81.776   0.7489  6490.26  118.807  6357.89  164.468  6634.71  171.808   80.905   1.0472   82.647   1.0709 -1.741119 1.497841 
1 1 1  -19   11    2 o  102.240   0.8507 10159.87  168.756 10339.48  236.376  9973.16  241.005  103.164   1.1803  101.316   1.2254 1.847679 1.701421 
1 1 1  -19   11    3 o   76.391   0.7122  5668.74  105.587  5728.86  148.414  5607.13  150.247   76.802   0.9955   75.981   1.0187 0.8215332 1.424331 
1 1 1  -19   11    4 o   83.113   0.7561  6709.79  121.985  6728.58  172.051  6690.79  172.979   83.230   1.0649   82.995   1.0737 0.2345810 1.512224 
1 1 1  -19   11    5 o   54.414   0.6291  2874.69   66.440  2941.07   94.665  2810.25   93.272   55.033   0.8861   53.795   0.8932 1.238091 1.258193 
1 1 1  -19   11    6 o   37.414   0.6455  1360.86   46.819  1435.85   66.035  1285.06   66.391   38.452   0.8847   36.376   0.9402 2.076378 1.291005 
1 1 1  -19   11    7 o   54.526   0.6274  2883.27   66.336  2967.85   96.567  2807.71   91.283   55.282   0.8999   53.770   0.8745 1.511311 1.254835 
1 1 1  -19   11    8 o   76.680   0.7232  5711.23  107.643  5731.06  152.102  5691.33  152.357   76.814   1.0201   76.547   1.0253 0.2670288 1.446340 
1 1 1  -19   11    9 o   67.606   0.6725  4437.62   88.233  4375.58  123.117  4503.12  126.514   67.121   0.9449   68.091   0.9572 -0.9705734 1.344996 
1 1 1  -19   11   10 o   64.499   0.6574  4036.02   82.256  4162.39  119.007  3920.42  113.822   65.465   0.9365   63.534   0.9229 1.930740 1.314815 
1 1 1  -19   11   11 o  145.986   1.1383 20724.35  322.546 21070.51  460.511 20391.01  451.908  147.182   1.6118  144.790   1.6079 2.391891 2.276667 
1 1 1  -19   11   12 o   80.578   0.7505  6305.89  117.330  6384.76  168.929  6232.38  163.084   81.063   1.0735   80.092   1.0490 0.9712448 1.500922 
1 1 1  -19   11   13 o   28.665   1.0453  803.717   50.573  789.844  100.068  808.475   58.609   28.484   1.8098   28.847   1.0467 -0.3629379 2.090671 
1 1 1  -19   11   14 o   73.113   0.9814  5194.83  139.104  5265.54  202.493  5131.63  191.421   73.581   1.4177   72.645   1.3574 0.9355316 1.962763 
1 1 1  -19   11   15 o   34.677   0.9692  1187.52   62.285  1107.06  103.093  1233.78   78.163   33.726   1.5747   35.628   1.1302 -1.901951 1.938321 
1 1 1  -19   11   16 o   47.607   0.9218  2228.30   83.400  2075.57  129.536  2336.43  108.996   46.188   1.4448   49.027   1.1453 -2.838425 1.843636 
1 1 1  -19   11   17 o   60.744   0.9431  3585.73  110.084  3615.54  168.349  3563.46  145.503   60.954   1.4228   60.533   1.2383 0.4216003 1.886172 
1 1 1  -19   11   18 o  102.381   1.3123 10229.71  260.734 10023.69  370.497 10431.86  366.997  101.352   1.8832  103.411   1.8282 -2.058868 2.624635 
1 1 1  -19   11   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   11   20 o   11.316   2.4461  116.737   58.377  180.162   95.989   79.510   73.539   13.216   3.6302   9.4152   3.2794 3.800873 4.892137 
1 1 1  -19   11   21 o   27.537   1.1642  713.343   60.913  888.737   99.355  607.713   77.104   30.139   1.6982   24.935   1.5930 5.204592 2.328414 
1 1 1  -19   11   22 o   26.681   1.2332  738.510   54.335  618.888  106.090  781.046   63.262   25.056   2.1812   28.306   1.1513 -3.249481 2.466390 
1 1 1  -19   11   23 o   19.285   1.4612  342.580   52.220  454.462   92.206  289.751   63.360   21.420   2.2175   17.149   1.9033 4.271158 2.922359 
1 1 1  -19   11   24 o   21.898   1.5266  550.265   53.719  330.898   97.179  646.794   64.464   18.097   2.7664   25.700   1.2922 -7.603136 3.053270 
1 1 1  -19   11   25 o   17.378   1.7624  327.977   51.216  260.681   91.147  359.030   61.915   15.689   3.1027   19.067   1.6728 -3.378254 3.524898 
1 1 1  -19   11   26 o   31.442   1.0786  958.195   60.812  1023.13  111.001  930.346   72.692   32.093   1.7818   30.792   1.2161 1.300480 2.157249 
1 1 1  -19   11   27 o   7.7138   2.3378   9.7740   58.913   33.092  103.441  -1.4211   71.674   8.6702   3.6388   6.7575   2.9361 1.912765 4.675607 
1 1 1  -19   11   28 o   15.739   2.2075  272.420   63.078  255.779  105.878  281.576   78.537   14.953   3.6740   16.524   2.4484 -1.571461 4.415095 
1 1 1  -19   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   12    1 o  146.090   1.0846 20738.00  306.693 20616.01  417.525 20880.95  451.979  145.632   1.4769  146.548   1.5888 -0.9154205 2.169256 
1 1 1  -19   12    2 o   65.039   0.6694  4108.55   84.506  4165.06  119.319  4051.67  119.700   65.488   0.9386   64.590   0.9547 0.8982239 1.338812 
1 1 1  -19   12    3 o   52.616   0.6202  2688.69   63.341  2725.27   89.437  2651.88   89.719   52.976   0.8697   52.257   0.8845 0.7186127 1.240430 
1 1 1  -19   12    4 o   54.171   0.6220  2849.64   65.401  2808.83   92.264  2890.85   92.718   53.781   0.8838   54.561   0.8754 -0.7798882 1.243950 
1 1 1  -19   12    5 o   75.371   0.7026  5516.90  102.797  5454.73  144.551  5580.51  146.219   74.941   0.9936   75.801   0.9937 -0.8591003 1.405284 
1 1 1  -19   12    6 o   53.557   0.6233  2785.25   64.784  2798.28   92.691  2772.80   90.582   53.680   0.8895   53.435   0.8733 0.2444229 1.246543 
1 1 1  -19   12    7 o   11.596   1.7462  135.279   38.125  158.867   55.731  114.532   52.268   12.564   2.3720   10.627   2.5634 1.937515 3.492429 
1 1 1  -19   12    8 o   23.611   0.8812  539.749   40.315  580.128   59.083  504.569   55.148   24.434   1.2457   22.787   1.2467 1.646732 1.762372 
1 1 1  -19   12    9 o   94.588   0.8242  8690.54  151.303  8791.08  216.721  8594.94  211.331   95.121   1.1737   94.055   1.1575 1.065788 1.648438 
1 1 1  -19   12   10 o   64.123   0.6579  3992.87   81.879  4029.85  116.998  3957.36  114.628   64.413   0.9357   63.832   0.9251 0.5814781 1.315805 
1 1 1  -19   12   11 o   40.718   0.8992  1647.95   63.225  1694.09   74.638  1530.75  118.970   41.763   0.9207   39.672   1.5448 2.090584 1.798374 
1 1 1  -19   12   12 o   48.934   0.8260  2366.05   72.111  2429.43   86.991  2226.84  128.923   50.012   0.8961   47.856   1.3878 2.155720 1.651948 
1 1 1  -19   12   13 o   48.495   0.7619  2289.39   66.617  2273.25  118.528  2296.85   80.541   48.360   1.2626   48.630   0.8532 -0.2697830 1.523852 
1 1 1  -19   12   14 o   48.041   0.8754  2246.13   80.235  2230.84  125.430  2256.71  104.385   47.896   1.3491   48.187   1.1159 -0.2916946 1.750815 
1 1 1  -19   12   15 o   14.548   2.1190  196.549   55.251  281.087   98.232  157.429   66.823   16.659   3.1532   12.436   2.8315 4.222585 4.237912 
1 1 1  -19   12   16 o   6.3046   2.0562 -52.7401   51.327 -46.1089   98.917 -55.1833   60.042   7.3792   3.3145   5.2299   2.4342 2.149320 4.112350 
1 1 1  -19   12   17 o   59.355   0.9317  3440.43  106.068  3337.78  161.747  3517.88  140.495   58.564   1.4228   60.146   1.2033 -1.581982 1.863414 
1 1 1  -19   12   18 o   70.986   1.0114  4918.44  138.926  4732.09  202.419  5084.38  191.018   69.701   1.4961   72.271   1.3616 -2.569839 2.022890 
1 1 1  -19   12   19 o   19.847   1.6172  370.136   59.387  439.782  104.071  336.506   72.318   21.150   2.5349   18.545   2.0089 2.605185 3.234383 
1 1 1  -19   12   20 o   16.826   1.9768  298.568   57.669  246.565   99.452  324.912   70.785   15.442   3.4090   18.211   2.0024 -2.768939 3.953547 
1 1 1  -19   12   21 o   15.844   1.9376  242.604   57.166  298.990   94.151  209.678   71.946   17.357   2.7943   14.330   2.6851 3.027331 3.875276 
1 1 1  -19   12   22 f   53.135   0.8559  2754.14   80.876  2753.13  147.658  2754.58   96.665   53.076   1.4332   53.195   0.9361 -0.1190453 1.711813 
1 1 1  -19   12   23 o   27.006   1.1370  740.142   53.859  657.151   97.355  776.744   64.654   25.808   1.9433   28.203   1.1809 -2.395086 2.273957 
1 1 1  -19   12   24 o   35.421   0.9793  1262.22   61.131  1153.27  110.543  1310.22   73.371   34.208   1.6647   36.633   1.0318 -2.424877 1.958506 
1 1 1  -19   12   25 o   25.294   1.1694  614.484   53.393  678.423   97.002  586.691   63.953   26.141   1.9116   24.447   1.3476 1.693380 2.338868 
1 1 1  -19   12   26 o   6.5140   2.0574 -25.8074   54.286 -110.8973   96.322   13.801   65.717   6.1236   2.9199   6.9045   2.8992 -0.7808924 4.114710 
1 1 1  -19   12   27 o   22.889   1.4470  499.217   60.388  612.180  109.613  449.989   72.360   24.538   2.3012   21.240   1.7550 3.297596 2.894053 
1 1 1  -19   12   28 o   18.191   2.0434  366.753   63.448  317.548  111.953  390.035   77.009   16.759   3.5516   19.622   2.0218 -2.862732 4.086702 
1 1 1  -19   13    1 f   35.344   0.7072  1210.04   48.453  1130.35   66.678  1299.20   70.529   34.114   1.0069   36.574   0.9934 -2.459736 1.414480 
1 1 1  -19   13    2 o   77.545   0.7245  5835.94  108.925  5751.74  149.907  5930.13  158.543   76.954   1.0035   78.136   1.0453 -1.181953 1.449026 
1 1 1  -19   13    3 f   56.803   0.6353  3130.92   70.016  3050.70   97.263  3217.21  100.872   56.048   0.8940   57.557   0.9028 -1.508926 1.270543 
1 1 1  -19   13    4 o   35.243   0.6759  1206.17   46.229  1245.89   65.742  1167.32   65.018   35.817   0.9456   34.669   0.9661 1.148293 1.351845 
1 1 1  -19   13    5 f   75.501   0.7154  5535.96  104.838  5652.50  149.171  5422.21  147.372   76.287   1.0073   74.716   1.0161 1.570610 1.430793 
1 1 1  -19   13    6 o   99.028   0.8560  9527.82  164.535  9640.58  233.253  9416.15  232.126   99.612   1.2063   98.445   1.2147 1.167015 1.711908 
1 1 1  -19   13    7 o   39.554   0.6489  1522.22   49.728  1428.00   70.854  1613.70   69.810   38.345   0.9519   40.763   0.8822 -2.418884 1.297873 
1 1 1  -19   13    8 o   86.524   0.7761  7272.31  130.351  7179.50  183.573  7366.69  185.124   85.967   1.1000   87.081   1.0951 -1.113808 1.552241 
1 1 1  -19   13    9 o   64.752   0.6604  4071.63   83.002  4111.80  118.489  4032.93  116.308   65.065   0.9381   64.439   0.9298 0.6266861 1.320845 
1 1 1  -19   13   10 o   40.966   0.6256  1626.71   49.698  1721.66   72.065  1540.60   68.628   42.103   0.8817   39.828   0.8877 2.275528 1.251169 
1 1 1  -19   13   11 o   56.946   0.6408  3150.72   70.800  3119.59  101.561  3180.16   98.750   56.671   0.9232   57.221   0.8890 -0.5491066 1.281673 
1 1 1  -19   13   12 o   45.739   0.6110  2030.65   54.235  1966.81   75.644  2098.18   77.801   45.000   0.8660   46.479   0.8623 -1.478642 1.222075 
1 1 1  -19   13   13 o   26.589   1.1103  695.845   47.872  673.044   99.984  702.627   54.529   26.285   1.9595   26.892   1.0446 -0.6063766 2.220553 
1 1 1  -19   13   14 o   28.123   1.1212  763.818   56.710  785.706  102.229  754.088   68.159   28.398   1.8545   27.849   1.2608 0.5486584 2.242497 
1 1 1  -19   13   15 o   29.321   1.1428  840.745   61.539  824.878  105.289  848.978   75.842   29.096   1.8642   29.547   1.3223 -0.4503098 2.285517 
1 1 1  -19   13   16 o   49.699   0.8926  2401.46   84.203  2404.47  133.937  2399.50  108.275   49.715   1.3879   49.683   1.1227 0.3136444E-01 1.785108 
1 1 1  -19   13   17 o   42.885   0.9321  1796.26   75.627  1757.31  120.688  1821.45   97.043   42.489   1.4633   43.281   1.1551 -0.7921371 1.864218 
1 1 1  -19   13   18 o   63.890   0.9615  3968.62  117.967  4011.81  180.980  3936.71  155.554   64.178   1.4527   63.602   1.2599 0.5757599 1.922960 
1 1 1  -19   13   19 f   39.064   0.9819  1484.17   70.983  1496.73  120.365  1477.47   87.894   39.168   1.5831   38.961   1.1621 0.2062492 1.963871 
1 1 1  -19   13   20 o   47.114   0.9257  2159.84   81.475  2176.83  135.257  2150.16  102.071   47.233   1.4752   46.995   1.1189 0.2376938 1.851500 
1 1 1  -19   13   21 o   48.947   0.9037  2342.84   84.458  2301.61  131.270  2371.96  110.326   48.556   1.3927   49.338   1.1520 -0.7813454 1.807365 
1 1 1  -19   13   22 o   55.889   0.8703  3120.19   85.266  2876.05  156.111  3223.99  101.791   54.228   1.4830   57.551   0.9112 -3.323154 1.740559 
1 1 1  -19   13   23 f   40.576   0.8906  1657.62   64.009  1488.71  114.268  1734.85   77.269   38.961   1.5109   42.192   0.9434 -3.231300 1.781252 
1 1 1  -19   13   24 o   13.055   2.1453  186.087   49.542  152.248   96.372  198.242   57.758   11.998   3.7368   14.112   2.1084 -2.113538 4.290621 
1 1 1  -19   13   25 o   9.4955   2.2197   93.211   50.476   17.445   92.614  125.227   60.204   8.1060   3.4247   10.885   2.8248 -2.779059 4.439329 
1 1 1  -19   13   26 o   29.192   1.1172  844.600   58.934  839.368  104.191  847.061   71.465   29.022   1.8494   29.362   1.2538 -0.3398170 2.234359 
1 1 1  -19   13   27 o   19.706   1.6463  379.006   57.915  439.259  108.142  354.776   68.578   20.595   2.7050   18.817   1.8774 1.777346 3.292690 
1 1 1  -19   13   28 o   7.4974   2.3406  -6.9224   62.359   22.483  110.236 -20.7601   75.621   8.5318   3.6740   6.4630   2.9008 2.068789 4.681158 
1 1 1  -19   14    1 o   36.404   0.6971  1287.00   49.158  1284.55   67.316  1289.79   71.955   36.368   0.9535   36.440   1.0172 -0.7251358E-01 1.394273 
1 1 1  -19   14    2 o  174.242   1.2677 29535.24  428.619 29548.58  598.484 29521.18  614.136  174.287   1.7690  174.196   1.8162 0.9135437E-01 2.535314 
1 1 1  -19   14    3 o   22.520   0.9341  493.143   40.808  508.911   57.405  477.035   58.023   22.885   1.2922   22.155   1.3492 0.7294712 1.868177 
1 1 1  -19   14    4 o   77.762   0.7197  5874.28  108.616  5927.67  152.573  5819.42  154.661   78.121   1.0061   77.403   1.0293 0.7179108 1.439369 
1 1 1  -19   14    5 o   31.106   0.7067  939.321   42.622  877.018   59.561  1004.71   61.020   30.049   1.0211   32.163   0.9773 -2.114252 1.413461 
1 1 1  -19   14    6 o   12.973   1.9689  214.735   44.931   62.240   90.862  264.095   51.694   9.4658   3.5909   16.480   1.6159 -7.013937 3.937753 
1 1 1  -19   14    7 o   54.998   0.6261  2937.26   66.838  2956.65   95.193  2918.41   93.867   55.177   0.8888   54.819   0.8821 0.3577461 1.252197 
1 1 1  -19   14    8 o   25.727   0.8494  643.186   42.384  641.079   61.156  645.132   58.794   25.686   1.2265   25.768   1.1754 -0.8227348E-01 1.698824 
1 1 1  -19   14    9 o   31.133   0.7107  942.025   42.911  927.278   61.740  955.805   59.683   30.896   1.0294   31.369   0.9801 -0.4728813 1.421403 
1 1 1  -19   14   10 o   28.894   0.7730  808.658   43.287  860.096   63.360  763.636   59.277   29.753   1.0970   28.035   1.0892 1.717802 1.545926 
1 1 1  -19   14   11 o   71.560   0.7025  4972.65   97.567  4876.55  136.198  5073.96  139.836   70.850   0.9903   72.270   0.9968 -1.419456 1.405076 
1 1 1  -19   14   12 o   90.214   0.8262  7904.60  144.604  8041.98  208.619  7777.54  200.618   90.967   1.1814   89.462   1.1552 1.505600 1.652363 
1 1 1  -19   14   13 o   54.283   0.8174  2886.95   76.722  2812.71  145.907  2915.32   90.198   53.780   1.3976   54.786   0.8481 -1.005886 1.634830 
1 1 1  -19   14   14 o   21.593   1.4572  484.544   54.803  382.945   96.822  532.440   66.478   19.792   2.5201   23.393   1.4639 -3.601061 2.914411 
1 1 1  -19   14   15 o   66.572   0.9610  4307.87  123.548  4335.76  184.597  4285.23  166.281   66.760   1.4244   66.384   1.2904 0.3765640 1.921991 
1 1 1  -19   14   16 o   13.547   2.0762  191.608   52.475  151.451   85.734  215.664   66.356   12.237   3.4567   14.857   2.3008 -2.619807 4.152433 
1 1 1  -19   14   17 o   63.458   0.9364  3927.98  114.981  3768.59  167.290  4070.69  158.298   62.228   1.3849   64.689   1.2606 -2.461048 1.872730 
1 1 1  -19   14   18 o   10.477   2.3533  109.350   52.927   76.523   94.439  124.383   63.906   9.9121   3.6816   11.042   2.9322 -1.129930 4.706591 
1 1 1  -19   14   19 o   16.274   2.0470  278.580   55.893  239.462  104.295  294.342   66.202   15.205   3.5909   17.343   1.9664 -2.137974 4.094080 
1 1 1  -19   14   20 o   48.850   0.9512  2328.09   86.658  2322.02  144.026  2331.54  108.494   48.769   1.5214   48.931   1.1422 -0.1623154 1.902431 
1 1 1  -19   14   21 o   54.253   0.8196  2866.29   78.348  2874.01  145.456  2863.14   92.991   54.257   1.3810   54.248   0.8831 0.9193420E-02 1.639235 
1 1 1  -19   14   22 o   66.462   0.8995  4379.44  106.524  4140.66  190.977  4487.28  128.345   65.047   1.5125   67.878   0.9741 -2.831360 1.799003 
1 1 1  -19   14   23 o   8.2145   2.1232   56.836   46.454 -27.8406   90.675   86.969   54.091   7.1905   3.2054   9.2386   2.7852 -2.048094 4.246424 
1 1 1  -19   14   24 o   39.837   0.9017  1542.23   63.196  1586.54  118.271  1524.53   74.764   40.154   1.5173   39.520   0.9746 0.6341362 1.803357 
1 1 1  -19   14   25 o   29.419   1.0646  847.903   55.922  864.147  101.741  840.871   66.940   29.536   1.7745   29.302   1.1769 0.2345886 2.129297 
1 1 1  -19   14   26 o   21.111   1.4266  451.312   53.922  434.031   95.921  459.296   65.199   20.678   2.3897   21.544   1.5590 -0.8664379 2.853295 
1 1 1  -19   14   27 o   13.171   2.2652  190.973   53.359  175.192  105.003  196.467   61.955   12.453   3.9042   13.888   2.2981 -1.435353 4.530334 
1 1 1  -19   14   28 o   7.3213   2.2944  -5.4748   58.786   9.5624  110.139 -11.4651   69.516   8.2724   3.6161   6.3703   2.8251 1.902114 4.588800 
1 1 1  -19   15    1 o   34.356   0.6868  1137.61   45.625  1042.96   61.339  1254.83   68.263   32.769   0.9643   35.944   0.9784 -3.174313 1.373694 
1 1 1  -19   15    2 o   30.291   0.7577  888.257   44.450  847.848   60.432  935.890   65.611   29.544   1.0538   31.039   1.0889 -1.495209 1.515320 
1 1 1  -19   15    3 o   83.490   0.7578  6770.54  122.770  6747.33  171.139  6795.16  176.218   83.343   1.0578   83.637   1.0854 -0.2930832 1.515612 
1 1 1  -19   15    4 o   73.271   0.7020  5214.52   99.834  5289.32  141.354  5140.08  141.019   73.795   0.9868   72.746   0.9986 1.049149 1.403909 
1 1 1  -19   15    5 o   43.892   0.6314  1870.81   53.791  1841.02   75.712  1901.17   76.438   43.539   0.8958   44.245   0.8900 -0.7057991 1.262745 
1 1 1  -19   15    6 f   33.963   0.6866  1120.10   45.259  1132.93   64.760  1107.86   63.277   34.153   0.9768   33.773   0.9652 0.3796387 1.373212 
1 1 1  -19   15    7 o   79.997   0.7352  6216.38  114.170  6209.35  161.243  6223.45  161.679   79.952   1.0389   80.042   1.0406 -0.9059906E-01 1.470431 
1 1 1  -19   15    8 o   89.100   0.7915  7709.84  136.871  7577.51  190.965  7849.62  196.274   88.315   1.1139   89.886   1.1249 -1.570839 1.583091 
1 1 1  -19   15    9 o   74.047   0.7145  5317.70  102.547  5476.14  149.911  5178.36  140.586   75.081   1.0286   73.013   0.9919 2.067665 1.428939 
1 1 1  -19   15   10 o   46.583   0.6201  2107.27   56.063  2083.77   78.542  2131.68   80.051   46.319   0.8735   46.848   0.8803 -0.5291214 1.240123 
1 1 1  -19   15   11 o   57.028   0.6410  3158.18   70.945  3060.09   99.544  3259.44  101.137   56.128   0.9136   57.928   0.8994 -1.800121 1.282054 
1 1 1  -19   15   12 o   28.768   1.0947  815.402   51.497  785.784  106.187  824.510   58.885   28.404   1.9258   29.131   1.0413 -0.7269630 2.189327 
1 1 1  -19   15   13 o   98.740   1.1037  9500.58  197.967  9450.39  347.384  9524.72  240.915   98.501   1.8168   98.979   1.2539 -0.4781494 2.207475 
1 1 1  -19   15   14 o   40.426   0.8968  1610.05   68.628  1486.59  107.515  1694.93   89.152   39.092   1.4168   41.760   1.0998 -2.668236 1.793559 
1 1 1  -19   15   15 o   55.962   0.8919  3037.14   96.096  3107.26  146.255  2983.86  127.475   56.523   1.3330   55.401   1.1853 1.121807 1.783769 
1 1 1  -19   15   16 o   19.045   1.5271  335.839   54.239  420.977   93.851  293.142   66.463   20.754   2.3296   17.335   1.9751 3.418516 3.054130 
1 1 1  -19   15   17 o   19.842   1.3948  387.374   50.983  374.661   86.338  394.181   63.173   19.572   2.2725   20.113   1.6180 -0.5414791 2.789691 
1 1 1  -19   15   18 o   45.257   0.8719  1972.01   74.752  2090.77  121.146  1898.99   94.993   46.333   1.3470   44.182   1.1076 2.151695 1.743864 
1 1 1  -19   15   19 o   57.864   0.9347  3243.38  102.927  3356.86  163.749  3169.26  132.339   58.676   1.4377   57.053   1.1949 1.623028 1.869418 
1 1 1  -19   15   20 o   81.023   1.1136  6426.90  174.700  6181.93  253.150  6649.65  241.396   79.524   1.6399   82.523   1.5069 -2.999077 2.227118 
1 1 1  -19   15   21 o   12.340   2.0033  184.771   44.941   74.917   89.862  221.411   51.897   9.6518   3.5900   15.029   1.7789 -5.376783 4.006607 
1 1 1  -19   15   22 o   9.9654   2.3715   89.291   47.501  105.004  101.532   84.888   53.746   10.756   3.8438   9.1748   2.7786 1.581202 4.742919 
1 1 1  -19   15   23 f   20.286   1.2852  387.661   46.721  454.184   87.069  360.760   55.368   21.399   2.0961   19.174   1.4876 2.224918 2.570322 
1 1 1  -19   15   24 f   10.695   2.0255  135.234   48.408   4.7487   96.064  179.647   56.044   7.9749   3.4320   13.415   2.1522 -5.439754 4.051003 
1 1 1  -19   15   25 o   31.071   1.0569  961.233   57.965  926.581  106.021  976.007   69.228   30.567   1.7868   31.574   1.1295 -1.006746 2.113826 
1 1 1  -19   15   26 o   8.2683   2.3342   41.691   52.418   67.300   96.325   30.917   62.479   9.3010   3.6519   7.2356   2.9080 2.065363 4.668304 
1 1 1  -19   15   27 o   21.076   1.5296  465.970   56.025  412.652  102.078  488.956   67.022   19.965   2.6340   22.188   1.5561 -2.223644 3.059255 
1 1 1  -19   15   28 o   12.769   2.2890  201.698   58.186  106.982  110.058  238.443   68.550   10.338   3.9447   15.200   2.3233 -4.861961 4.578094 
1 1 1  -19   16    1 o   35.479   0.8004  1226.04   54.547  1200.86   82.932  1245.24   72.414   35.155   1.2153   35.804   1.0419 -0.6489944 1.600764 
1 1 1  -19   16    2 o   91.016   0.8185  8048.92  144.537  8065.88  201.445  8030.91  207.503   91.116   1.1389   90.916   1.1758 0.2006607 1.636937 
1 1 1  -19   16    3 o   46.675   0.6424  2117.38   58.150  2223.78   82.143  2010.49   82.329   47.852   0.8843   45.498   0.9322 2.354057 1.284892 
1 1 1  -19   16    4 o   45.138   0.6252  1978.18   54.759  1996.68   78.649  1960.78   76.287   45.343   0.8936   44.934   0.8746 0.4089203 1.250353 
1 1 1  -19   16    5 o   70.331   0.6859  4804.24   93.633  4791.92  131.281  4816.99  133.582   70.240   0.9628   70.423   0.9772 -0.1827087 1.371830 
1 1 1  -19   16    6 o   36.859   0.6646  1318.66   47.535  1282.98   66.243  1356.55   68.251   36.345   0.9389   37.373   0.9408 -1.027515 1.329151 
1 1 1  -19   16    7 o   24.381   0.8636  577.493   40.821  539.889   57.173  616.597   58.303   23.571   1.2496   25.191   1.1923 -1.620245 1.727126 
1 1 1  -19   16    8 f   52.744   0.6292  2700.00   64.314  2732.69   93.990  2671.22   88.194   53.043   0.9128   52.445   0.8663 0.5982056 1.258464 
1 1 1  -19   16    9 o   25.304   0.8001  616.847   39.126  681.645   58.797  565.351   52.416   26.486   1.1436   24.121   1.1194 2.364359 1.600286 
1 1 1  -19   16   10 o   74.491   0.7220  5390.40  104.393  5424.70  148.868  5357.21  146.430   74.724   1.0263   74.258   1.0158 0.4654922 1.444034 
1 1 1  -19   16   11 o   37.547   0.6550  1364.79   47.643  1491.84   69.498  1252.13   65.440   39.190   0.9135   35.903   0.9390 3.287117 1.310047 
1 1 1  -19   16   12 o   33.496   0.9259  1071.11   52.780  1131.80  104.988  1050.59   61.057   34.106   1.5858   32.886   0.9565 1.220821 1.851874 
1 1 1  -19   16   13 o   25.084   1.3206  612.769   64.288  628.728   92.216  597.679   89.670   25.402   1.8702   24.767   1.8651 0.6348934 2.641256 
1 1 1  -19   16   14 o   35.468   0.9672  1200.40   62.865  1293.07  110.466  1156.01   76.453   36.451   1.5612   34.486   1.1420 1.964142 1.934322 
1 1 1  -19   16   15 o   65.634   0.9618  4202.71  121.496  4091.34  182.846  4290.75  162.576   64.843   1.4526   66.425   1.2608 -1.582176 1.923502 
1 1 1  -19   16   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   16   17 o   10.015   2.1989  102.761   50.661   17.987   91.608  140.109   60.805   8.3139   3.4516   11.715   2.7251 -3.401203 4.397717 
1 1 1  -19   16   18 o   30.746   1.0256  934.389   58.554  874.999   96.607  968.876   73.617   29.943   1.6621   31.549   1.2020 -1.606640 2.051197 
1 1 1  -19   16   19 o   52.747   0.9304  2728.41   93.323  2621.87  146.016  2801.98  121.341   51.848   1.4508   53.646   1.1652 -1.797382 1.860772 
1 1 1  -19   16   20 o   36.048   1.0198  1330.33   56.473  1167.66  123.602  1373.24   63.487   34.521   1.8445   37.575   0.8704 -3.053528 2.039539 
1 1 1  -19   16   21 o   22.127   1.2751  483.719   46.446  473.593   95.080  486.892   53.229   21.911   2.2354   22.343   1.2273 -0.4312096 2.550140 
1 1 1  -19   16   22 o   22.217   1.3079  406.634   48.592  655.427  106.984  341.968   54.543   25.749   2.1404   18.685   1.5038 7.063646 2.615837 
1 1 1  -19   16   23 o   19.793   1.4816  404.845   48.827  356.713   95.285  421.984   56.860   18.841   2.6052   20.744   1.4120 -1.902498 2.963269 
1 1 1  -19   16   24 o   39.337   0.9019  1523.59   61.236  1502.87  116.974  1531.41   71.870   39.061   1.5427   39.614   0.9346 -0.5529175 1.803730 
1 1 1  -19   16   25 o   39.932   0.9340  1558.47   63.714  1584.36  124.601  1549.31   74.140   40.040   1.6031   39.824   0.9591 0.2165070 1.868068 
1 1 1  -19   16   26 o   13.478   2.0249  199.808   49.394  167.287   85.606  216.038   60.477   12.315   3.4456   14.640   2.1280 -2.325706 4.049767 
1 1 1  -19   16   27 o   8.2964   1.9819   44.111   52.630 -155.7294   94.622  133.630   63.330   5.5164   2.6931   11.076   2.9083 -5.560007 3.963704 
1 1 1  -19   16   28 o   16.445   1.8782  258.743   56.032  364.117  104.409  216.119   66.405   18.448   2.9155   14.442   2.3686 4.005664 3.756420 
1 1 1  -19   17    1 o   78.576   0.7370  5998.87  112.359  6042.18  156.876  5953.25  161.004   78.868   1.0247   78.283   1.0595 0.5847778 1.473950 
1 1 1  -19   17    2 o  115.553   0.9656 12967.02  216.270 12780.57  296.867 13177.89  315.705  114.672   1.3336  116.433   1.3968 -1.761078 1.931238 
1 1 1  -19   17    3 o   43.062   0.6383  1797.55   53.306  1714.56   73.531  1889.49   77.390   42.017   0.9015   44.108   0.9039 -2.091377 1.276611 
1 1 1  -19   17    4 o  115.086   0.9694 12877.46  216.361 12959.89  300.107 12788.25  312.213  115.474   1.3388  114.699   1.4023 0.7749023 1.938763 
1 1 1  -19   17    5 o   55.904   0.6357  3035.22   68.977  3035.86   96.769  3034.57   98.348   55.910   0.8916   55.897   0.9064 0.1246643E-01 1.271420 
1 1 1  -19   17    6 o   38.109   0.6367  1410.02   47.094  1434.86   67.388  1386.30   65.840   38.437   0.9032   37.781   0.8977 0.6558952 1.273445 
1 1 1  -19   17    7 o   87.768   0.8095  7485.01  137.919  7447.68  195.706  7521.84  194.394   87.550   1.1515   87.986   1.1382 -0.4359055 1.619092 
1 1 1  -19   17    8 o   37.521   0.6619  1367.54   48.195  1363.76   68.877  1371.15   67.460   37.470   0.9469   37.572   0.9249 -0.1020775 1.323717 
1 1 1  -19   17    9 o   49.767   0.8473  2345.41   72.931  2274.97   84.937  2543.09  142.288   48.396   0.9041   51.139   1.4333 -2.743336 1.694669 
1 1 1  -19   17   10 o   56.410   0.6311  3092.16   69.018  3063.93   99.997  3117.83   95.379   56.163   0.9172   56.657   0.8672 -0.4942322 1.262283 
1 1 1  -19   17   11 f   61.626   0.6512  3687.79   77.891  3593.76  109.140  3785.40  111.197   60.825   0.9243   62.426   0.9176 -1.601074 1.302474 
1 1 1  -19   17   12 o   40.062   0.8027  1589.22   57.556  1482.81  102.068  1638.83   69.694   39.049   1.3465   41.075   0.8741 -2.025749 1.605350 
1 1 1  -19   17   13 o   79.422   0.9494  6196.61  137.331  5953.62  237.613  6318.49  168.285   78.212   1.5651   80.632   1.0752 -2.419731 1.898792 
1 1 1  -19   17   14 f   55.006   0.9030  2956.36   94.251  2872.42  148.904  3012.48  121.743   54.340   1.4116   55.671   1.1265 -1.331799 1.806051 
1 1 1  -19   17   15 o   39.070   0.9481  1483.50   65.389  1488.16  121.066  1481.58   77.697   39.095   1.5953   39.044   1.0251 0.5006790E-01 1.896270 
1 1 1  -19   17   16 o   47.836   0.9017  2220.18   80.448  2247.22  134.192  2205.01  100.513   48.048   1.4387   47.624   1.0872 0.4238663 1.803352 
1 1 1  -19   17   17 f   33.299   1.0325  1107.32   61.683  1007.09  108.105  1155.70   75.109   32.129   1.7333   34.470   1.1225 -2.340397 2.065056 
1 1 1  -19   17   18 o   79.597   1.0686  6184.87  164.878  6044.81  238.082  6313.94  228.554   78.719   1.5581   80.476   1.4630 -1.757301 2.137299 
1 1 1  -19   17   19 o  110.266   1.4064 11917.51  300.941 11669.35  427.792 12160.63  423.432  109.113   2.0197  111.419   1.9578 -2.306000 2.812839 
1 1 1  -19   17   20 o   25.933   1.2797  696.045   48.601  602.632  112.590  717.437   53.880   24.719   2.3464   27.146   1.0225 -2.427090 2.559483 
1 1 1  -19   17   21 o   14.647   1.9929  256.910   44.620  152.065   94.459  287.023   50.624   12.165   3.6835   17.129   1.5225 -4.964264 3.985704 
1 1 1  -19   17   22 o   41.460   0.8977  1694.05   61.361  1653.30  125.343  1706.89   70.369   41.052   1.5729   41.868   0.8658 -0.8153076 1.795449 
1 1 1  -19   17   23 o   25.624   1.1955  680.431   50.003  584.453   99.864  712.546   57.767   24.243   2.1220   27.006   1.1019 -2.762535 2.391089 
1 1 1  -19   17   24 o   28.641   1.1417  837.445   54.075  753.761  107.385  865.873   62.589   27.523   2.0099   29.760   1.0834 -2.236410 2.283341 
1 1 1  -19   17   25 o   6.9633   2.1768 -59.4604   50.333   66.183  105.593 -96.4013   57.256   9.5678   3.8022   4.3589   2.1207 5.208959 4.353638 
1 1 1  -19   17   26 o   13.292   2.1561  185.650   50.872  206.757   93.520  176.780   60.627   13.628   3.5129   12.957   2.5011 0.6713238 4.312260 
1 1 1  -19   17   27 o   10.287   2.3943   95.629   53.075  174.341   96.224   61.211   63.630   12.378   3.7110   8.1962   3.0264 4.182045 4.788554 
1 1 1  -19   17   28 o   8.4336   2.3335   60.071   55.731   1.5504  104.143   83.554   65.971   7.8985   3.4825   8.9688   3.1071 -1.070317 4.667090 
1 1 1  -19   18    1 o   42.366   0.6804  1745.69   55.835  1781.35   76.909  1705.94   81.191   42.826   0.9251   41.907   0.9981 0.9186325 1.360881 
1 1 1  -19   18    2 f   77.735   0.7430  5870.54  112.088  5885.84  156.776  5854.55  160.317   77.839   1.0376   77.630   1.0639 0.2089157 1.486046 
1 1 1  -19   18    3 o   92.764   0.8232  8362.57  148.210  8454.33  208.350  8268.57  210.874   93.281   1.1506   92.248   1.1776 1.032776 1.646424 
1 1 1  -19   18    4 o   48.034   0.6339  2238.69   59.054  2192.72   81.469  2289.59   85.724   47.516   0.8833   48.553   0.9095 -1.037273 1.267833 
1 1 1  -19   18    5 o   18.988   1.0564  348.527   38.817  386.708   57.326  316.198   52.749   19.943   1.4808   18.033   1.5069 1.910143 2.112712 
1 1 1  -19   18    6 o   48.075   0.6359  2238.95   59.270  2109.42   81.510  2384.28   86.340   46.603   0.9010   49.547   0.8977 -2.943424 1.271880 
1 1 1  -19   18    7 o   73.963   0.7219  5314.83  103.638  5276.00  147.096  5353.09  146.042   73.695   1.0283   74.232   1.0135 -0.5373917 1.443772 
1 1 1  -19   18    8 o   70.732   0.7050  4860.25   96.773  4860.01  138.361  4860.48  135.403   70.729   1.0077   70.734   0.9861 -0.4821777E-02 1.409960 
1 1 1  -19   18    9 o   60.691   0.6571  3577.00   77.400  3626.48  110.760  3529.77  108.205   61.101   0.9338   60.281   0.9247 0.8197174 1.314200 
1 1 1  -19   18   10 o  100.902   0.9074  9896.77  177.723  9889.50  250.170  9904.18  252.524  100.866   1.2777  100.939   1.2888 -0.7349396E-01 1.814787 
1 1 1  -19   18   11 o   65.042   0.6628  4108.14   83.667  4032.54  117.008  4187.24  119.683   64.430   0.9355   65.654   0.9391 -1.223961 1.325569 
1 1 1  -19   18   12 o   44.106   0.8631  1938.79   64.151  1795.07  125.255  1989.89   74.690   42.951   1.5023   45.261   0.8501 -2.309555 1.726146 
1 1 1  -19   18   13 o   18.042   1.6803  306.053   50.956  341.939  104.546  294.871   58.358   18.683   2.8826   17.401   1.7276 1.282263 3.360679 
1 1 1  -19   18   14 o   19.154   1.6874  380.268   52.875  317.499  104.631  401.795   61.275   17.991   2.9959   20.317   1.5536 -2.325937 3.374810 
1 1 1  -19   18   15 o   72.493   1.0140  5093.28  141.129  5253.18  217.665  4977.31  185.373   73.458   1.5265   71.529   1.3351 1.929634 2.027917 
1 1 1  -19   18   16 f   23.853   1.3682  576.649   53.777  514.645  107.361  597.416   62.133   22.928   2.4122   24.779   1.2917 -1.851021 2.736314 
1 1 1  -19   18   17 o   18.119   1.8369  340.310   52.579  303.129  105.915  352.470   60.569   17.229   3.2868   19.009   1.6414 -1.780083 3.673861 
1 1 1  -19   18   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   18   19 o   42.915   0.8737  1774.99   61.049  1830.50  128.787  1758.91   69.334   43.298   1.5323   42.532   0.8398 0.7665176 1.747307 
1 1 1  -19   18   20 o   36.946   0.9937  1421.00   56.963  1186.15  121.312  1487.43   64.519   34.787   1.7965   39.104   0.8500 -4.316895 1.987390 
1 1 1  -19   18   21 o   33.030   0.9505  1063.04   50.765  1070.47  107.451  1060.91   57.598   33.046   1.6751   33.014   0.8988 0.3152084E-01 1.900960 
1 1 1  -19   18   22 f   20.399   1.5633  428.026   47.687  388.945  108.601  437.361   53.078   19.652   2.8468   21.146   1.2931 -1.493372 3.126674 
1 1 1  -19   18   23 o   11.299   2.0893  143.072   44.487   98.959   85.188  159.613   52.165   10.126   3.5295   12.472   2.2369 -2.345189 4.178617 
1 1 1  -19   18   24 o   30.645   1.0321  909.871   53.437  952.346  107.027  895.766   61.674   31.016   1.7776   30.274   1.0495 0.7418633 2.064290 
1 1 1  -19   18   25 o   16.275   2.1168  331.456   52.267  190.381  107.706  374.911   59.777   13.083   3.9270   19.468   1.5818 -6.384750 4.233606 
1 1 1  -19   18   26 o   12.720   2.2489  180.829   52.514  160.999   96.694  189.125   62.542   12.033   3.7423   13.406   2.4952 -1.372143 4.497852 
1 1 1  -19   18   27 o   9.3006   2.0631   85.432   54.145 -82.8389   96.893  161.836   65.290   6.4054   3.0168   12.196   2.8150 -5.790393 4.126137 
1 1 1  -19   19    1 o   44.596   0.6718  1937.58   57.877  1999.10   78.860  1865.77   85.209   45.368   0.8955   43.825   1.0016 1.542915 1.343531 
1 1 1  -19   19    2 o  100.419   0.8784  9798.51  171.066  9759.42  236.545  9841.36  247.687  100.212   1.2160  100.627   1.2680 -0.4143066 1.756840 
1 1 1  -19   19    3 o   11.159   1.8908  125.054   40.508  104.495   54.939  149.544   59.963   10.171   2.7269   12.147   2.6200 -1.975768 3.781585 
1 1 1  -19   19    4 f   57.724   0.6458  3233.88   72.310  3173.85  100.085  3299.44  104.587   57.164   0.9019   58.283   0.9244 -1.118999 1.291528 
1 1 1  -19   19    5 f   84.240   0.9307  6888.47  146.028  6864.29  182.253  6931.83  244.050   84.052   1.1170   84.429   1.4891 -0.3773041 1.861489 
1 1 1  -19   19    6 o   71.107   0.7040  4909.70   97.143  5004.81  139.355  4819.80  135.489   71.777   1.0002   70.438   0.9909 1.338562 1.407916 
1 1 1  -19   19    7 o   90.061   0.8342  7881.75  145.831  7805.56  205.031  7959.76  207.463   89.620   1.1785   90.501   1.1809 -0.8806686 1.668395 
1 1 1  -19   19    8 o   89.398   0.8264  7764.37  143.392  7601.02  200.712  7934.65  204.929   88.438   1.1691   90.358   1.1683 -1.920181 1.652848 
1 1 1  -19   19    9 o   57.714   0.6304  3229.80   70.561  3091.46   97.410  3382.53  102.349   56.416   0.8895   59.012   0.8935 -2.596027 1.260730 
1 1 1  -19   19   10 o   36.929   0.6456  1324.78   46.279  1338.34   65.381  1311.15   65.517   37.119   0.9074   36.740   0.9187 0.3793564 1.291233 
1 1 1  -19   19   11 o   78.533   0.7523  5993.06  114.687  5934.87  161.604  6052.11  162.786   78.149   1.0653   78.917   1.0626 -0.7683258 1.504660 
1 1 1  -19   19   12 o   39.779   0.9062  1581.85   57.951  1461.58  121.062  1617.60   66.005   38.749   1.6095   40.808   0.8332 -2.059341 1.812364 
1 1 1  -19   19   13 o   33.377   1.0210  1106.06   58.832  1034.60  110.930  1134.02   69.396   32.593   1.7533   34.161   1.0465 -1.568024 2.041915 
1 1 1  -19   19   14 f   47.069   0.9063  2143.00   78.277  2190.18  135.562  2119.40   95.875   47.440   1.4721   46.697   1.0577 0.7427711 1.812637 
1 1 1  -19   19   15 o   25.646   1.3046  664.639   53.672  599.760  111.673  684.127   61.204   24.768   2.3227   26.524   1.1887 -1.755650 2.609184 
1 1 1  -19   19   16 o   37.088   0.9768  1355.06   62.601  1304.11  118.759  1374.66   73.666   36.574   1.6728   37.603   1.0092 -1.029812 1.953618 
1 1 1  -19   19   17 o   62.940   0.9546  3866.84  114.462  3816.68  179.422  3901.26  148.637   62.573   1.4771   63.308   1.2095 -0.7344208 1.909147 
1 1 1  -19   19   18 o   74.430   1.0258  5392.71  147.120  5482.36  222.768  5323.35  195.925   74.958   1.5310   73.903   1.3657 1.055145 2.051619 
1 1 1  -19   19   19 o   35.225   0.9457  1209.83   51.274  1210.65  115.903  1209.63   57.172   35.181   1.6972   35.270   0.8351 -0.8858490E-01 1.891476 
1 1 1  -19   19   20 o   28.539   1.0902  768.898   46.581  840.596  111.455  753.724   51.273   29.251   1.9629   27.827   0.9492 1.423721 2.180344 
1 1 1  -19   19   21 o   15.293   1.9260  285.868   42.007  165.186   92.681  317.069   47.126   12.574   3.6085   18.013   1.3478 -5.438818 3.851974 
1 1 1  -19   19   22 o   68.691   0.9070  4690.12  110.352  4433.65  199.833  4802.63  132.364   67.201   1.5319   70.181   0.9716 -2.979942 1.814034 
1 1 1  -19   19   23 o   24.940   1.1337  555.368   47.442  732.497  100.819  504.991   53.766   27.173   1.9114   22.708   1.2197 4.464815 2.267401 
1 1 1  -19   19   24 o   14.882   1.9275  236.021   45.846  215.818   93.531  242.410   52.598   14.113   3.4444   15.651   1.7313 -1.538053 3.854976 
1 1 1  -19   19   25 o   23.813   1.3034  506.018   52.643  693.597  110.623  451.105   59.854   26.243   2.1715   21.382   1.4420 4.861195 2.606729 
1 1 1  -19   19   26 o   9.7456   2.4331   89.366   52.254  113.147  101.912   80.884   60.863   10.581   3.8419   8.9106   2.9866 1.670042 4.866205 
1 1 1  -19   19   27 o   21.217   1.5550  471.920   55.442  434.648  107.386  485.466   64.738   20.346   2.7189   22.088   1.5099 -1.741714 3.110039 
1 1 1  -19   20    1 o   50.353   0.6480  2464.16   63.300  2527.34   88.819  2398.94   90.238   51.010   0.8970   49.695   0.9354 1.314247 1.295999 
1 1 1  -19   20    2 o   79.399   0.7540  6125.46  116.145  6133.75  161.653  6116.61  166.984   79.456   1.0481   79.342   1.0842 0.1138611 1.507950 
1 1 1  -19   20    3 o   58.047   0.6609  3274.37   74.369  3302.70  102.812  3243.29  107.706   58.312   0.9083   57.782   0.9602 0.5293198 1.321765 
1 1 1  -19   20    4 o   19.997   1.0838  389.955   41.742  397.700   55.969  380.248   62.661   20.224   1.4257   19.769   1.6328 0.4543724 2.167640 
1 1 1  -19   20    5 o   43.959   0.6273  1882.29   53.374  1979.02   74.016  1777.50   77.038   45.140   0.8447   42.778   0.9277 2.362888 1.254663 
1 1 1  -19   20    6 o   64.873   0.6781  4087.60   85.379  4128.77  121.864  4047.92  119.654   65.194   0.9630   64.553   0.9549 0.6410370 1.356124 
1 1 1  -19   20    7 f   15.405   1.3087  229.301   38.638  285.605   57.289  182.318   52.332   17.130   1.7228   13.681   1.9706 3.449491 2.617499 
1 1 1  -19   20    8 o   16.296   1.2292  258.465   38.881  254.752   54.898  262.202   55.076   16.178   1.7481   16.414   1.7286 -0.2353401 2.458419 
1 1 1  -19   20    9 o   63.249   0.6589  3883.44   80.877  3988.35  116.219  3784.91  112.620   64.077   0.9344   62.422   0.9294 1.655365 1.317894 
1 1 1  -19   20   10 o   36.290   0.6481  1281.89   45.510  1244.05   66.543  1315.15   62.380   35.784   0.9579   36.796   0.8733 -1.011295 1.296295 
1 1 1  -19   20   11 o   95.196   0.8709  8810.53  160.929  8748.42  226.757  8873.57  228.428   94.858   1.2315   95.534   1.2318 -0.6760712 1.741754 
1 1 1  -19   20   12 f   45.639   0.8554  1996.48   64.811  2080.05  133.341  1970.63   74.161   46.237   1.4856   45.041   0.8482 1.195351 1.710717 
1 1 1  -19   20   13 o   18.071   1.7399  337.356   48.253  300.052  101.186  348.336   54.897   17.223   3.1424   18.920   1.4948 -1.697004 3.479786 
1 1 1  -19   20   14 o   61.135   0.9293  3597.18  107.424  3801.90  174.865  3473.08  136.143   62.504   1.4412   59.766   1.1735 2.737324 1.858541 
1 1 1  -19   20   15 o   81.110   1.0911  6416.06  170.973  6312.59  253.395  6502.53  231.650   80.495   1.6217   81.726   1.4602 -1.231148 2.182196 
1 1 1  -19   20   16 o   27.548   1.1829  732.452   53.000  754.485  111.929  726.084   60.174   27.776   2.0759   27.320   1.1346 0.4560299 2.365718 
1 1 1  -19   20   17 o   27.786   1.2353  783.562   55.793  699.810  113.577  810.201   64.054   26.718   2.1899   28.853   1.1437 -2.134310 2.470502 
1 1 1  -19   20   18 o   11.087   2.0604  138.038   38.614   67.689   98.872  150.700   41.946   9.7573   3.7352   12.416   1.7404 -2.658401 4.120749 
1 1 1  -19   20   19 o   12.490   2.0490  189.323   39.844   91.068   99.946  207.889   43.445   10.393   3.8000   14.586   1.5344 -4.192696 4.098067 
1 1 1  -19   20   20 o   25.738   1.1791  608.294   44.472  712.640  111.080  588.376   48.531   26.896   2.1275   24.579   1.0172 2.317215 2.358166 
1 1 1  -19   20   21 o   32.331   0.8716  999.325   47.756  1065.18   95.728  977.507   55.102   32.978   1.4954   31.684   0.8959 1.294466 1.743222 
1 1 1  -19   20   22 o   17.980   1.5791  292.459   45.403  376.343  102.846  272.152   50.601   19.320   2.7423   16.640   1.5665 2.679821 3.158216 
1 1 1  -19   20   23 o   25.606   1.2242  703.987   47.844  556.637  102.122  745.424   54.155   23.586   2.2305   27.626   1.0099 -4.039846 2.448480 
1 1 1  -19   20   24 o   7.1929   2.0964   25.389   43.377   4.4679   86.060   32.514   50.223   7.5523   3.2493   6.8334   2.6498 0.7188864 4.192768 
1 1 1  -19   20   25 o   9.6742   2.3940   76.486   48.452  139.317  101.709   58.042   55.107   11.422   3.8607   7.9263   2.8319 3.495855 4.787920 
1 1 1  -19   20   26 o   10.670   2.3500  127.063   51.926   91.237  102.478  139.438   60.230   9.9715   3.8061   11.369   2.7575 -1.397298 4.700056 
1 1 1  -19   20   27 o   10.723   2.1522  144.162   53.706  -0.2768  107.041  192.754   62.086   7.9908   3.5265   13.454   2.4682 -5.463500 4.304428 
1 1 1  -19   21    1 o   95.431   0.8496  8844.59  157.223  8717.40  216.713  8985.93  228.445   94.710   1.1788   96.152   1.2239 -1.442787 1.699261 
1 1 1  -19   21    2 o  109.267   0.9408 11613.39  199.448 11915.36  280.247 11303.48  283.913  110.711   1.3040  107.824   1.3565 2.887085 1.881606 
1 1 1  -19   21    3 o   17.463   1.2864  291.221   43.180  247.395   56.867  350.892   66.355   15.940   1.8378   18.985   1.8005 -3.044883 2.572834 
1 1 1  -19   21    4 o   79.122   0.7621  6082.94  117.025  6094.68  164.102  6070.79  166.933   79.200   1.0674   79.043   1.0880 0.1569824 1.524127 
1 1 1  -19   21    5 f   32.024   0.7511  996.552   46.555  998.327   63.476  994.485   68.487   32.056   1.0201   31.991   1.1028 0.6437302E-01 1.502273 
1 1 1  -19   21    6 o   37.318   0.6787  1352.21   49.137  1413.80   70.231  1293.15   68.774   38.150   0.9483   36.485   0.9711 1.664864 1.357313 
1 1 1  -19   21    7 o  115.790   1.0276 13036.04  230.963 13237.74  329.066 12840.20  324.248  116.672   1.4530  114.907   1.4537 1.765327 2.055291 
1 1 1  -19   21    8 o   80.877   0.7651  6351.26  120.074  6182.75  167.103  6531.15  172.654   79.769   1.0792   81.986   1.0849 -2.216301 1.530196 
1 1 1  -19   21    9 o   24.539   0.8226  588.633   38.934  546.280   57.042  625.575   53.274   23.706   1.2396   25.373   1.0816 -1.666931 1.645158 
1 1 1  -19   21   10 o   38.223   0.6177  1421.56   45.640  1391.94   67.313  1446.76   62.092   37.852   0.9161   38.593   0.8288 -0.7413559 1.235391 
1 1 1  -19   21   11 o   27.737   0.7330  750.360   39.319  702.630   56.889  794.014   54.406   26.888   1.0899   28.587   0.9804 -1.698702 1.466027 
1 1 1  -19   21   12 o   62.061   0.8297  3769.66   92.968  3673.90  164.165  3814.87  112.799   61.458   1.3761   62.663   0.9273 -1.204651 1.659352 
1 1 1  -19   21   13 o   10.869   2.1422  121.278   45.194  102.798   81.184  129.576   54.403   10.450   3.4476   11.289   2.5436 -0.8388224 4.284349 
1 1 1  -19   21   14 o   40.361   0.8435  1582.83   63.011  1588.47  106.693  1579.81   78.084   40.405   1.3603   40.318   0.9977 0.8729935E-01 1.686957 
1 1 1  -19   21   15 o   53.126   0.9092  2793.47   90.515  2553.79  145.166  2945.93  115.777   51.210   1.4603   55.042   1.0836 -3.832169 1.818411 
1 1 1  -19   21   16 o   34.774   1.0191  1156.03   58.881  1221.70  121.366  1135.82   67.337   35.373   1.7675   34.175   1.0150 1.198181 2.038208 
1 1 1  -19   21   17 o   9.2911   2.3621   27.404   47.036  160.502  109.433  -2.7562   52.093   12.679   3.9874   5.9032   2.5335 6.775907 4.724244 
1 1 1  -19   21   18 o   34.640   0.9213  1171.57   48.640  1166.52  111.251  1172.76   54.083   34.547   1.6589   34.732   0.8022 -0.1851425 1.842690 
1 1 1  -19   21   19 o   39.781   0.8814  1498.67   53.755  1616.80  124.402  1471.55   59.608   40.661   1.5761   38.901   0.7894 1.760315 1.762709 
1 1 1  -19   21   20 o   34.670   0.9588  1134.39   48.938  1236.20  119.569  1113.90   53.636   35.503   1.7349   33.838   0.8166 1.665112 1.917506 
1 1 1  -19   21   21 o   41.537   0.8365  1712.23   57.795  1631.60  115.832  1738.95   66.689   40.808   1.4623   42.266   0.8128 -1.458355 1.672985 
1 1 1  -19   21   22 o   41.979   0.8591  1684.40   60.155  1802.94  123.560  1647.57   68.868   42.841   1.4858   41.117   0.8628 1.724308 1.718138 
1 1 1  -19   21   23 o   35.670   0.9835  1325.61   55.334  1118.35  115.417  1387.46   63.053   33.619   1.7686   37.722   0.8611 -4.103172 1.967066 
1 1 1  -19   21   24 o   47.101   0.8194  2189.40   67.827  2137.92  125.495  2210.65   80.616   46.609   1.3871   47.593   0.8726 -0.9845238 1.638702 
1 1 1  -19   21   25 o   25.190   1.2232  646.911   51.462  600.598  101.391  662.982   59.727   24.400   2.1407   25.980   1.1843 -1.579666 2.446435 
1 1 1  -19   21   26 o   26.454   1.2288  705.622   54.312  687.105  108.243  711.852   62.787   26.019   2.1431   26.889   1.2029 -0.8696651 2.457603 
1 1 1  -19   21   27 o   22.724   1.4227  504.765   54.859  570.022  110.533  483.436   63.191   23.416   2.4317   22.031   1.4776 1.385790 2.845403 
1 1 1  -19   22    1 o   52.557   0.6583  2684.54   67.125  2767.33   94.531  2600.34   95.331   53.376   0.9124   51.739   0.9492 1.637154 1.316568 
1 1 1  -19   22    2 o   67.203   0.7035  4389.05   91.744  4474.12  128.866  4301.62  130.643   67.865   0.9782   66.542   1.0114 1.323189 1.407065 
1 1 1  -19   22    3 o   56.221   0.6705  3071.58   73.147  3126.39  102.617  3014.96  104.295   56.732   0.9318   55.711   0.9644 1.021687 1.341018 
1 1 1  -19   22    4 o  116.983   1.0414 13308.72  236.484 13275.01  332.746 13343.12  336.158  116.834   1.4672  117.132   1.4784 -0.2975464 2.082874 
1 1 1  -19   22    5 o   45.404   0.6567  2004.09   57.833  2079.41   81.317  1926.99   82.268   46.269   0.9054   44.539   0.9515 1.729736 1.313442 
1 1 1  -19   22    6 o  118.707   1.0521 13696.41  242.333 13424.55  336.761 13988.36  348.988  117.488   1.4766  119.926   1.4991 -2.438049 2.104199 
1 1 1  -19   22    7 o   35.887   0.6876  1251.28   47.874  1306.85   67.980  1196.61   67.431   36.678   0.9548   35.096   0.9898 1.582165 1.375248 
1 1 1  -19   22    8 o   45.239   0.6271  1985.63   55.028  2050.05   79.652  1926.81   76.112   45.940   0.8932   44.538   0.8804 1.401676 1.254114 
1 1 1  -19   22    9 o   42.530   0.8990  1768.41   63.956  1777.92   73.780  1739.64  128.281   42.781   0.8884   42.279   1.5631 0.5019646 1.797907 
1 1 1  -19   22   10 o   60.061   0.6429  3504.44   74.927  3502.64  104.641  3506.35  107.336   60.046   0.8978   60.076   0.9204 -0.3042221E-01 1.285729 
1 1 1  -19   22   11 o   9.2623   1.7401   86.724   31.851   92.620   45.294   80.957   44.798   9.5551   2.4349   8.9695   2.4865 0.5855465 3.480164 
1 1 1  -19   22   12 o   61.250   0.8207  3594.81   90.148  3783.22  164.248  3513.59  107.844   62.364   1.3568   60.136   0.9238 2.227940 1.641413 
1 1 1  -19   22   13 o   88.170   1.1427  7575.23  195.319  7475.06  282.555  7666.90  270.298   87.603   1.6616   88.737   1.5692 -1.133934 2.285412 
1 1 1  -19   22   14 o   75.373   1.0256  5516.60  148.879  5638.98  226.243  5423.13  197.720   76.095   1.5316   74.650   1.3644 1.444862 2.051244 
1 1 1  -19   22   15 o   49.442   0.8442  2333.33   77.540  2531.52  132.542  2230.20   95.608   50.993   1.3390   47.892   1.0284 3.100864 1.688360 
1 1 1  -19   22   16 o   19.747   1.7872  453.614   48.507  293.991  106.224  495.668   54.523   16.931   3.3507   22.563   1.2449 -5.631849 3.574457 
1 1 1  -19   22   17 o   16.453   1.8825  255.185   37.506  294.470  112.318  250.254   39.790   16.879   3.5410   16.027   1.2790 0.8514233 3.764927 
1 1 1  -19   22   18 o   46.993   0.8232  2113.13   61.573  2218.46  134.658  2085.28   69.235   47.671   1.4552   46.314   0.7701 1.357132 1.646376 
1 1 1  -19   22   19 o   15.420   1.9295  219.728   45.250  277.427  105.050  206.583   50.140   16.324   3.4244   14.517   1.7793 1.807693 3.859057 
1 1 1  -19   22   20 o   23.190   1.2917  523.982   40.715  534.669  107.801  522.203   43.972   23.226   2.3911   23.154   0.9783 0.7141113E-01 2.583453 
1 1 1  -19   22   21 o   50.856   0.8156  2508.32   68.878  2560.98  140.833  2491.77   78.967   51.121   1.4192   50.590   0.8041 0.5312042 1.631154 
1 1 1  -19   22   22 o   20.156   1.4526  427.397   42.671  368.032   98.842  440.995   47.307   19.079   2.6688   21.234   1.1477 -2.155041 2.905141 
1 1 1  -19   22   23 o   12.505   2.1345  108.799   42.482  293.908  105.466   72.948   46.415   16.553   3.3961   8.4575   2.5866 8.095654 4.268979 
1 1 1  -19   22   24 o   5.8798   1.9999 -125.3779   66.799 -132.1587   98.707 -119.6484   90.732   5.9849   2.8806   5.7746   2.7749 0.2103844 3.999751 
1 1 1  -19   22   25 o   11.640   2.1402  163.459   48.316   74.235  101.499  189.601   54.940   9.5605   3.7504   13.719   2.0630 -4.158691 4.280320 
1 1 1  -19   22   26 o   25.538   1.2523  659.214   54.491  641.052  105.394  665.841   63.660   25.098   2.1633   25.978   1.2624 -0.8803463 2.504694 
1 1 1  -19   22   27 o   14.277   2.1279  283.165   53.609   99.379  107.986  343.275   61.757   10.079   3.8919   18.474   1.7221 -8.395658 4.255840 
1 1 1  -19   23    1 o   50.805   0.6684  2511.08   65.716  2559.06   89.996  2456.27   96.187   51.327   0.9032   50.282   0.9855 1.045265 1.336775 
1 1 1  -19   23    2 o   32.006   0.8027  995.693   49.758  999.122   68.166  991.783   72.797   32.066   1.0951   31.945   1.1739 0.1207123 1.605434 
1 1 1  -19   23    3 o   82.948   0.7971  6685.92  128.345  6793.01  182.008  6580.01  181.010   83.610   1.1214   82.287   1.1332 1.322319 1.594277 
1 1 1  -19   23    4 o  101.289   0.9217  9970.98  181.176  9860.61  252.867 10087.41  259.711  100.714   1.2934  101.863   1.3134 -1.149117 1.843371 
1 1 1  -19   23    5 o   71.049   0.7130  4899.79   98.263  4792.81  135.914  5016.96  142.232   70.238   0.9968   71.860   1.0196 -1.622032 1.425960 
1 1 1  -19   23    6 o   25.516   0.8995  635.753   44.228  659.897   59.746  606.484   65.783   26.057   1.1812   24.974   1.3569 1.082289 1.799021 
1 1 1  -19   23    7 o   32.133   0.7127  1001.80   44.400  1075.43   64.010  933.525   61.638   33.270   0.9911   30.996   1.0244 2.273703 1.425414 
1 1 1  -19   23    8 o   26.769   0.8010  696.372   41.615  676.974   58.467  716.289   59.245   26.391   1.1413   27.147   1.1243 -0.7560806 1.602022 
1 1 1  -19   23    9 o   18.938   0.9807  348.471   36.020  357.355   52.305  340.458   49.676   19.167   1.4058   18.709   1.3678 0.4575005 1.961436 
1 1 1  -19   23   10 o   46.190   0.6649  2086.62   58.499  2149.13   76.364  1997.83   91.010   47.038   0.8363   45.342   1.0340 1.695316 1.329896 
1 1 1  -19   23   11 o   9.8168   2.2166   89.393   40.512   83.758   95.135   90.642   44.775   10.180   3.7096   9.4534   2.4274 0.7267904 4.433237 
1 1 1  -19   23   12 o   35.919   0.9454  1288.44   54.273  1196.15  114.432  1315.22   61.648   35.043   1.6822   36.794   0.8631 -1.750866 1.890702 
1 1 1  -19   23   13 o   52.310   0.8818  2655.38   85.786  2682.68  143.983  2640.36  106.815   52.503   1.4127   52.118   1.0558 0.3848114 1.763682 
1 1 1  -19   23   14 o   73.072   0.9980  5175.76  140.170  5356.75  215.352  5042.73  184.634   74.161   1.4959   71.982   1.3214 2.179008 1.995936 
1 1 1  -19   23   15 o   76.857   1.0350  5726.44  152.996  5969.75  234.757  5546.79  201.720   78.251   1.5455   75.462   1.3771 2.788277 2.069981 
1 1 1  -19   23   16 o   77.663   1.0614  5880.38  158.543  5897.87  241.245  5867.09  210.345   77.740   1.5986   77.587   1.3966 0.1530380 2.122781 
1 1 1  -19   23   17 o   61.189   0.8758  3642.61   87.790  3657.06  182.396  3638.26  100.154   61.206   1.5352   61.172   0.8434 0.3419495E-01 1.751614 
1 1 1  -19   23   18 o   17.622   1.6373  324.110   36.341  291.485   97.213  329.410   39.182   16.853   3.0852   18.390   1.0976 -1.537346 3.274643 
1 1 1  -19   23   19 o   27.367   1.1403  764.747   42.172  689.398  109.017  778.006   45.732   26.454   2.1229   28.280   0.8331 -1.825415 2.280516 
1 1 1  -19   23   20 o   61.385   0.8553  3764.88   90.159  3491.81  170.932  3870.14  106.121   59.719   1.4745   63.050   0.8671 -3.331581 1.710545 
1 1 1  -19   23   21 f   45.936   0.8384  2093.42   62.987  2005.28  129.513  2120.72   72.086   45.204   1.4759   46.669   0.7957 -1.464569 1.676776 
1 1 1  -19   23   22 o   10.621   1.9461  132.823   38.202   57.085   86.242  151.312   42.611   8.8755   3.4638   12.366   1.7750 -3.490939 3.892165 
1 1 1  -19   23   23 o   38.102   0.9213  1364.98   55.656  1531.08  124.116  1323.17   62.267   39.374   1.6239   36.830   0.8710 2.544304 1.842693 
1 1 1  -19   23   24 o   30.569   1.0666  904.149   50.048  955.717  114.719  892.028   55.620   30.931   1.9107   30.207   0.9485 0.7233562 2.133148 
1 1 1  -19   23   25 o   11.564   1.8668   79.193   44.641  303.874   90.769   7.5087   51.271   17.115   2.7322   6.0129   2.5446 11.10174 3.733624 
1 1 1  -19   23   26 o   18.082   1.5993  298.959   49.736  418.534  102.327  261.973   56.910   20.022   2.6328   16.141   1.8163 3.881290 3.198518 
1 1 1  -19   24    1 o   33.853   0.7665  1113.97   50.362  1129.06   70.867  1098.58   71.584   34.085   1.0710   33.621   1.0968 0.4641228 1.533023 
1 1 1  -19   24    2 o   89.341   0.8392  7756.19  145.493  7672.52  202.695  7845.11  208.965   88.845   1.1753   89.836   1.1983 -0.9910965 1.678443 
1 1 1  -19   24    3 o   66.892   0.7043  4347.72   91.453  4377.15  128.890  4317.87  129.784   67.121   0.9892   66.664   1.0029 0.4570007 1.408698 
1 1 1  -19   24    4 o  154.601   1.3470 23284.22  404.227 23083.05  567.621 23491.23  575.794  153.925   1.8997  155.276   1.9103 -1.351700 2.694071 
1 1 1  -19   24    5 o   42.424   0.6775  1750.23   55.693  1779.60   76.873  1717.80   80.798   42.800   0.9253   42.048   0.9899 0.7525177 1.355000 
1 1 1  -19   24    6 o   31.828   0.7278  984.369   44.948  1024.47   63.916  945.137   63.221   32.470   1.0140   31.187   1.0443 1.283600 1.455631 
1 1 1  -19   24    7 o   26.485   0.8116  686.056   41.441  730.886   56.650  634.451   60.780   27.424   1.0642   25.545   1.2257 1.878500 1.623199 
1 1 1  -19   24    8 o   60.972   0.6540  3612.36   77.374  3637.89  108.190  3585.63  110.700   61.193   0.9108   60.751   0.9387 0.4428482 1.307941 
1 1 1  -19   24    9 o   8.9764   1.7665   75.568   36.571  134.775   51.027   13.035   52.440   11.541   2.3573   6.4118   2.6316 5.129182 3.533070 
1 1 1  -19   24   10 o   50.826   0.6100  2509.49   60.181  2505.86   85.668  2513.02   84.562   50.789   0.8689   50.862   0.8565 -0.7314301E-01 1.220066 
1 1 1  -19   24   11 o   43.251   0.8837  1795.02   62.266  1863.58  131.532  1775.22   70.688   43.754   1.5486   42.748   0.8519 1.005974 1.767467 
1 1 1  -19   24   12 o   81.260   0.9780  6433.56  142.719  6402.47  255.885  6447.60  171.948   81.078   1.6258   81.441   1.0876 -0.3630829 1.956093 
1 1 1  -19   24   13 o   25.858   1.1773  624.643   47.099  696.893  108.565  607.892   52.274   26.710   2.0939   25.005   1.0770 1.705135 2.354596 
1 1 1  -19   24   14 o   58.119   0.9059  3292.16   98.996  3270.24  161.195  3305.43  125.438   57.943   1.4331   58.296   1.1085 -0.3523712 1.811791 
1 1 1  -19   24   15 o   16.587   1.7632  281.998   43.899  262.602   95.989  287.127   49.364   16.013   3.2000   17.161   1.4818 -1.148598 3.526442 
1 1 1  -19   24   16 o   74.124   0.9138  5401.57  118.336  5240.79  220.980  5466.21  140.120   73.281   1.5534   74.967   0.9629 -1.685562 1.827654 
1 1 1  -19   24   17 o   51.200   0.8476  2572.11   67.330  2523.81  149.878  2584.32   75.362   50.838   1.5187   51.562   0.7529 -0.7241287 1.695140 
1 1 1  -19   24   18 o   31.113   0.9012  956.910   40.739  925.118   98.287  963.505   44.765   30.745   1.6469   31.481   0.7325 -0.7363796 1.802439 
1 1 1  -19   24   19 f   17.846   1.5136  259.642   35.330  395.086  107.042  243.083   37.427   19.908   2.7698   15.784   1.2215 4.124184 3.027221 
1 1 1  -19   24   20 o   18.406   1.4083  268.419   37.134  443.592  102.160  241.751   39.860   21.088   2.4956   15.723   1.3060 5.365797 2.816657 
1 1 1  -19   24   21 o   29.375   1.0284  765.992   42.988  972.277  113.335  731.327   46.460   31.356   1.8620   27.393   0.8737 3.963406 2.056779 
1 1 1  -19   24   22 o   18.668   1.4146  303.339   40.652  422.875   98.562  278.835   44.625   20.485   2.4786   16.852   1.3641 3.632603 2.829237 
1 1 1  -19   24   23 o   22.600   1.4457  561.831   45.020  436.405  108.304  588.030   49.499   20.679   2.6980   24.521   1.0399 -3.841188 2.891482 
1 1 1  -19   24   24 o   20.078   1.6176  431.711   44.780  373.484  110.471  443.160   48.985   18.912   3.0091   21.243   1.1879 -2.330421 3.235099 
1 1 1  -19   24   25 o   14.572   2.0192  185.605   46.403  318.331  106.255  154.325   51.582   17.003   3.3385   12.141   2.2722 4.861756 4.038394 
1 1 1  -19   24   26 o   22.907   1.2297  534.452   48.995  509.346   91.226  544.630   58.083   22.346   2.1031   23.469   1.2749 -1.123884 2.459362 
1 1 1  -19   25    1 o   78.505   0.7669  5989.30  116.835  5971.26  162.956  6008.38  167.601   78.385   1.0710   78.626   1.0981 -0.2406845 1.533882 
1 1 1  -19   25    2 o   78.661   0.7614  6013.30  116.256  6119.69  164.889  5908.13  163.937   79.353   1.0704   77.969   1.0832 1.384895 1.522850 
1 1 1  -19   25    3 o   24.350   0.9562  577.256   45.099  585.847   62.007  567.607   65.714   24.545   1.3014   24.156   1.4014 0.3887672 1.912493 
1 1 1  -19   25    4 o   40.384   0.6937  1586.67   54.309  1637.17   75.651  1532.96   78.013   41.050   0.9494   39.719   1.0118 1.330662 1.387484 
1 1 1  -19   25    5 o   80.792   0.7766  6343.54  121.790  6290.52  171.362  6397.65  173.126   80.451   1.0973   81.133   1.0993 -0.6819611 1.553192 
1 1 1  -19   25    6 o   56.524   0.6534  3098.92   71.535  3032.64   97.492  3176.22  105.289   55.872   0.8989   57.176   0.9486 -1.304382 1.306877 
1 1 1  -19   25    7 o   32.711   0.7104  1035.30   44.995  980.434   61.015  1100.70   66.617   31.765   0.9895   33.656   1.0197 -1.890818 1.420858 
1 1 1  -19   25    8 o   23.791   0.8763  551.598   40.360  594.027   56.781  508.272   57.379   24.720   1.1833   22.863   1.2929 1.857285 1.752648 
1 1 1  -19   25    9 o   41.552   0.6320  1676.21   50.964  1629.87   71.020  1725.41   73.175   40.960   0.8932   42.143   0.8945 -1.183365 1.264092 
1 1 1  -19   25   10 o   38.120   0.6357  1411.41   47.027  1425.97   67.496  1397.66   65.559   38.311   0.9076   37.929   0.8904 0.3814812 1.271446 
1 1 1  -19   25   11 o   15.850   2.0678  275.398   44.709  216.245  111.007  286.852   48.846   14.532   3.8672   17.168   1.4657 -2.635836 4.135647 
1 1 1  -19   25   12 o   44.918   0.8753  1955.37   61.301  1974.43  136.598  1950.56   68.597   45.026   1.5629   44.810   0.7886 0.2157745 1.750564 
1 1 1  -19   25   13 o   40.666   0.9205  1583.32   62.711  1661.39  127.502  1558.40   72.025   41.289   1.5908   40.042   0.9266 1.246246 1.841014 
1 1 1  -19   25   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   25   15 o   39.699   0.8750  1465.48   59.239  1680.73  119.597  1395.51   68.192   41.515   1.4840   37.883   0.9273 3.631866 1.749934 
1 1 1  -19   25   16 f   29.639   1.0325  837.556   38.751  883.190  112.668  831.433   41.269   30.029   1.9328   29.249   0.7268 0.7795944 2.064989 
1 1 1  -19   25   17 o   35.852   0.9447  1179.29   43.273  1356.06  127.131  1156.13   46.021   37.214   1.7599   34.490   0.6874 2.724285 1.889328 
1 1 1  -19   25   18 o   16.506   1.5598  236.147   39.785  325.446   95.880  217.573   43.728   18.094   2.7297   14.917   1.5101 3.177090 3.119593 
1 1 1  -19   25   19 o   27.966   1.0899  753.534   38.964  782.694  111.493  749.478   41.586   28.175   2.0385   27.757   0.7718 0.4183216 2.179741 
1 1 1  -19   25   20 o   42.698   0.8050  1783.44   54.542  1775.67  118.157  1785.55   61.485   42.562   1.4301   42.835   0.7394 -0.2723427 1.609965 
1 1 1  -19   25   21 o   17.203   1.7392  294.433   36.592  310.856  104.996  292.163   39.040   17.125   3.2779   17.281   1.1638 -0.1568298 3.478398 
1 1 1  -19   25   22 o   9.4918   2.1044   90.082   37.482   82.187   86.129   91.926   41.632   9.5881   3.5242   9.3956   2.3010 0.1925716 4.208857 
1 1 1  -19   25   23 o   25.897   1.1699  653.061   43.868  681.388  107.903  647.452   48.015   26.055   2.1334   25.739   0.9610 0.3160057 2.339897 
1 1 1  -19   25   24 o   19.070   1.5854  346.158   42.933  402.904  110.425  336.052   46.599   19.669   2.8922   18.472   1.2996 1.196844 3.170782 
1 1 1  -19   25   25 o   47.470   0.8693  2231.98   69.340  2196.48  137.819  2244.01   80.234   47.035   1.5094   47.904   0.8628 -0.8688660 1.738643 
1 1 1  -19   25   26 o   12.100   2.0062  200.757   46.578   44.543  101.224  242.718   52.462   8.6665   3.6156   15.533   1.7399 -6.866426 4.012465 
1 1 1  -19   26    1 o   42.988   0.6963  1793.23   58.031  1752.37   79.721  1839.30   84.636   42.469   0.9670   43.508   1.0021 -1.038937 1.392625 
1 1 1  -19   26    2 o   43.923   0.6889  1871.59   58.630  1830.05   80.117  1919.48   86.028   43.401   0.9510   44.446   0.9971 -1.045582 1.377885 
1 1 1  -19   26    3 o  121.171   1.0754 14287.11  252.951 14363.29  358.300 14211.41  357.154  121.493   1.5193  120.848   1.5225 0.6447067 2.150832 
1 1 1  -19   26    4 o  108.248   0.9724 11393.60  204.287 11235.51  285.375 11559.76  292.570  107.480   1.3678  109.017   1.3825 -1.537407 1.944800 
1 1 1  -19   26    5 o   57.962   0.6621  3263.39   74.422  3251.59  102.950  3276.30  107.709   57.853   0.9167   58.070   0.9555 -0.2170143 1.324143 
1 1 1  -19   26    6 o   71.598   0.7207  4975.02  100.099  4811.75  138.462  5153.77  144.880   70.370   1.0136   72.827   1.0248 -2.457077 1.441432 
1 1 1  -19   26    7 o   60.121   0.6634  3510.70   77.414  3601.30  110.498  3423.35  108.489   60.883   0.9350   59.360   0.9415 1.523678 1.326874 
1 1 1  -19   26    8 o   39.497   0.6425  1515.39   49.238  1510.02   68.540  1521.12   70.780   39.425   0.8956   39.568   0.9215 -0.1435699 1.285013 
1 1 1  -19   26    9 o   23.768   0.8262  548.905   38.032  601.549   54.599  499.287   53.006   24.876   1.1307   22.661   1.2050 2.215254 1.652425 
1 1 1  -19   26   10 o   13.863   1.3689  186.135   36.567  156.765   49.700  220.799   53.994   12.676   2.0199   15.050   1.8482 -2.374085 2.737847 
1 1 1  -19   26   11 o   17.836   1.6701  264.185   44.589  390.206  113.732  241.297   48.469   19.932   2.9394   15.740   1.5863 4.192272 3.340138 
1 1 1  -19   26   12 f   36.492   0.9571  1284.37   53.457  1315.53  122.500  1277.04   59.413   36.732   1.7180   36.253   0.8442 0.4786491 1.914252 
1 1 1  -19   26   13 o   43.554   0.9068  1880.15   68.273  1772.33  128.731  1922.35   80.531   42.639   1.5553   44.469   0.9329 -1.829994 1.813630 
1 1 1  -19   26   14 o   51.607   0.8883  2573.16   82.853  2648.90  148.033  2538.62   99.979   52.126   1.4630   51.089   1.0081 1.037415 1.776693 
1 1 1  -19   26   15 o   12.770   1.8892  155.911   29.149  173.276   92.433  153.993   30.716   12.967   3.5626   12.573   1.2585 0.3938351 3.778311 
1 1 1  -19   26   16 o   45.679   0.8305  2003.65   55.272  2076.60  135.279  1989.03   60.557   46.116   1.5112   45.241   0.6896 0.8753395 1.661057 
1 1 1  -19   26   17 o   47.388   0.8579  2186.51   59.156  2193.66  143.825  2185.05   64.899   47.364   1.5643   47.411   0.7052 -0.4728317E-01 1.715891 
1 1 1  -19   26   18 o   48.778   0.7866  2293.42   60.377  2363.31  133.496  2275.45   67.696   49.180   1.3984   48.376   0.7209 0.8039856 1.573242 
1 1 1  -19   26   19 o   28.415   1.0405  725.994   37.468  880.237  112.366  706.699   39.743   29.879   1.9373   26.951   0.7597 2.928259 2.080950 
1 1 1  -19   26   20 f   16.120   1.4146  201.189   32.506  350.889   90.789  179.178   34.814   18.714   2.4993   13.526   1.3260 5.188002 2.829215 
1 1 1  -19   26   21 o   8.0903   2.0354   64.056   35.658 -37.4788  104.720   77.372   37.924   7.5448   3.3976   8.6358   2.2424 -1.091036 4.070893 
1 1 1  -19   26   22 o   22.712   1.1871  438.759   38.503  623.370  103.334  408.997   41.490   24.970   2.1319   20.454   1.0450 4.515623 2.374226 
1 1 1  -19   26   23 o   36.355   0.8635  1314.15   49.014  1270.35  107.564  1325.63   55.062   35.840   1.5461   36.870   0.7693 -1.030479 1.726924 
1 1 1  -19   26   24 o   17.468   1.6575  290.640   43.144  344.436  104.854  279.676   47.337   18.120   2.9809   16.815   1.4502 1.305393 3.314998 
1 1 1  -19   26   25 o   11.180   2.1626  144.013   43.471   93.784  104.638  154.491   47.791   10.001   3.8392   12.359   1.9921 -2.357850 4.325241 
1 1 1  -19   26   26 o   16.292   1.9668  253.327   48.774  345.693  113.536  232.424   54.012   17.419   3.4794   15.165   1.8347 2.253994 3.933547 
1 1 1  -19   27    1 o   99.762   0.9152  9676.39  177.221  9839.50  252.776  9518.70  248.534  100.589   1.2946   98.935   1.2941 1.653252 1.830463 
1 1 1  -19   27    2 o  105.906   0.9588 10908.65  197.110 11007.63  279.458 10810.66  278.058  106.384   1.3532  105.427   1.3587 0.9570084 1.917619 
1 1 1  -19   27    3 o   19.682   1.1061  377.878   42.029  385.601   56.872  368.585   62.385   19.908   1.4717   19.457   1.6517 0.4503651 2.212225 
1 1 1  -19   27    4 o   79.691   0.7779  6171.35  120.311  6368.12  171.276  5979.69  169.038   80.946   1.0900   78.437   1.1102 2.509506 1.555856 
1 1 1  -19   27    5 o   58.173   0.6697  3287.88   75.621  3284.87  106.770  3290.90  107.119   58.146   0.9459   58.199   0.9482 -0.5326080E-01 1.339336 
1 1 1  -19   27    6 o   83.946   0.7997  6847.51  130.289  7007.29  186.240  6694.36  182.335   84.905   1.1300   82.988   1.1319 1.917664 1.599369 
1 1 1  -19   27    7 o   37.439   0.6670  1361.74   48.469  1394.90   68.967  1329.37   68.133   37.890   0.9377   36.989   0.9489 0.9012070 1.334032 
1 1 1  -19   27    8 o   25.386   0.8119  627.067   39.969  597.656   56.749  656.018   56.304   24.793   1.1791   25.978   1.1165 -1.184662 1.623881 
1 1 1  -19   27    9 o   30.686   0.7027  915.794   41.824  935.441   58.346  895.030   59.983   31.026   0.9688   30.347   1.0182 0.6794891 1.405470 
1 1 1  -19   27   10 o   82.023   0.7807  6540.73  124.293  6603.69  176.022  6478.12  175.533   82.417   1.1002   81.628   1.1078 0.7883148 1.561311 
1 1 1  -19   27   11 o   33.597   1.0536  1182.41   52.302  972.654  118.344  1233.33   58.305   31.567   1.9313   35.628   0.8431 -4.060558 2.107277 
1 1 1  -19   27   12 o   57.791   0.8648  3267.71   86.821  3210.31  164.196  3289.99  102.291   57.403   1.4735   58.179   0.9057 -0.7762527 1.729644 
1 1 1  -19   27   13 o   38.698   0.9625  1487.36   62.093  1403.05  123.771  1515.72   71.780   37.914   1.6817   39.483   0.9365 -1.569569 1.924930 
1 1 1  -19   27   14 o   30.528   1.0523  946.243   36.735  863.272  115.634  955.557   38.742   29.693   2.0062   31.363   0.6364 -1.670326 2.104698 
1 1 1  -19   27   15 o   21.919   1.1439  427.477   29.276  524.191   96.734  417.725   30.716   23.107   2.1566   20.731   0.7633 2.376190 2.287708 
1 1 1  -19   27   16 o   18.863   1.6576  385.223   29.411  321.444  106.487  390.490   30.601   17.685   3.2206   20.040   0.7866 -2.355379 3.315240 
1 1 1  -19   27   17 o   57.119   0.8495  3124.50   75.791  3277.84  169.982  3086.45   84.673   57.901   1.5124   56.337   0.7743 1.563618 1.699031 
1 1 1  -19   27   18 o   26.402   1.1590  706.489   34.238  654.973  110.654  711.943   36.005   25.744   2.2143   27.060   0.6855 -1.316284 2.317954 
1 1 1  -19   27   19 o   15.223   1.8819  198.558   29.945  287.451  111.204  191.608   31.093   16.438   3.5859   14.008   1.1435 2.430499 3.763819 
1 1 1  -19   27   20 o   19.692   1.5187  426.955   33.891  336.155  102.701  438.051   35.903   18.185   2.9094   21.199   0.8724 -3.014694 3.037403 
1 1 1  -19   27   21 o   15.563   1.8521  227.844   33.951  278.538  105.946  222.042   35.841   16.072   3.4954   15.055   1.2264 1.017445 3.704286 
1 1 1  -19   27   22 o   22.274   1.3016  481.532   38.362  509.330  105.432  477.291   41.185   22.445   2.4198   22.103   0.9599 0.3421745 2.603217 
1 1 1  -19   27   23 o   26.347   1.0477  685.173   41.109  687.420   96.699  684.677   45.417   26.221   1.8998   26.474   0.8838 -0.2527924 2.095309 
1 1 1  -19   27   24 o   22.763   1.3275  563.490   42.837  454.032  100.482  587.801   47.356   21.032   2.4612   24.494   0.9960 -3.462214 2.655071 
1 1 1  -19   27   25 o   19.691   1.8025  477.150   44.432  309.230  106.717  512.362   48.869   16.562   3.4321   22.820   1.1032 -6.257713 3.605071 
1 1 1  -19   28    1 o   47.113   0.6838  2155.91   62.412  2142.20   85.475  2171.55   91.343   46.955   0.9378   47.272   0.9954 -0.3173103 1.367586 
1 1 1  -19   28    2 o   62.379   0.6908  3777.59   83.564  3710.48  115.142  3852.29  121.468   61.795   0.9599   62.962   0.9938 -1.167255 1.381689 
1 1 1  -19   28    3 f   28.514   0.8159  789.458   45.123  768.224   62.288  812.908   65.456   28.112   1.1414   28.917   1.1661 -0.8050251 1.631783 
1 1 1  -19   28    4 o   73.704   0.7369  5279.15  105.424  5206.28  148.616  5352.96  149.574   73.191   1.0460   74.216   1.0382 -1.024643 1.473801 
1 1 1  -19   28    5 o   94.198   0.8742  8627.29  159.837  8554.31  224.092  8702.86  228.048   93.794   1.2308   94.603   1.2418 -0.8093262 1.748416 
1 1 1  -19   28    6 o   35.274   0.6919  1207.54   47.328  1136.19   65.762  1284.22   68.168   34.193   0.9908   36.354   0.9660 -2.160461 1.383727 
1 1 1  -19   28    7 o   44.954   0.6177  1963.21   53.901  1973.27   76.822  1953.45   75.646   45.067   0.8781   44.841   0.8691 0.2265129 1.235459 
1 1 1  -19   28    8 o   35.442   0.6533  1220.70   44.928  1267.34   63.737  1174.64   63.339   36.116   0.9092   34.768   0.9385 1.347157 1.306635 
1 1 1  -19   28    9 o   51.476   0.6201  2571.89   61.888  2524.33   85.094  2625.30   90.171   50.972   0.8600   51.979   0.8937 -1.007282 1.240255 
1 1 1  -19   28   10 o   81.058   0.7653  6387.83  120.416  6493.48  171.157  6284.27  169.444   81.722   1.0789   80.394   1.0858 1.328171 1.530681 
1 1 1  -19   28   11 o   79.870   0.9737  6266.88  140.790  6056.63  246.755  6368.35  171.434   78.820   1.6127   80.920   1.0914 -2.099960 1.947321 
1 1 1  -19   28   12 o   39.614   0.9251  1558.92   57.163  1476.60  125.216  1580.59   64.249   38.901   1.6582   40.328   0.8207 -1.427444 1.850199 
1 1 1  -19   28   13 o   40.559   0.9433  1618.78   61.772  1573.77  129.940  1631.92   70.213   40.149   1.6673   40.970   0.8828 -0.8219719 1.886593 
1 1 1  -19   28   14 o   40.410   0.9055  1616.61   46.412  1557.43  131.738  1625.00   49.591   39.922   1.6999   40.899   0.6246 -0.9767799 1.811071 
1 1 1  -19   28   15 o   24.115   2.1434  571.404  100.332  571.404  100.332   0.0000   0.0000   24.115   2.1434  ?   ?       ?      ? 
1 1 1  -19   28   16 o   54.029   1.4882  2852.61  156.087  2852.61  156.087   0.0000   0.0000   54.029   1.4882  ?   ?       ?      ? 
1 1 1  -19   28   17 o   40.152   0.8957  1506.73   43.751  1660.96  134.635  1488.52   46.262   41.168   1.6847   39.137   0.6089 2.031033 1.791421 
1 1 1  -19   28   18 o   29.593   0.9043  782.135   31.971  953.429  102.788  763.788   33.640   31.156   1.6996   28.030   0.6183 3.126087 1.808511 
1 1 1  -19   28   19 o   18.900   1.8477  432.951   29.117  289.829  112.617  443.203   30.142   16.459   3.6230   21.340   0.7276 -4.881435 3.695310 
1 1 1  -19   28   20 o   10.365   2.0075   80.621   29.197  167.919   88.372   69.924   30.934   12.498   3.5023   8.2319   1.9634 4.265609 4.015077 
1 1 1  -19   28   21 o   11.125   2.0630  124.608   31.610  119.988  100.601  125.115   33.296   10.980   3.8350   11.271   1.5219 -0.2908659 4.125948 
1 1 1  -19   28   22 o   17.455   1.5447  265.538   33.479  364.602  104.935  254.311   35.325   18.800   2.8754   16.109   1.1297 2.691116 3.089325 
1 1 1  -19   28   23 o   21.226   1.3363  441.480   38.580  464.428  102.277  437.673   41.657   21.312   2.4722   21.140   1.0151 0.1718369 2.672539 
1 1 1  -19   28   24 o   12.282   2.0787  171.963   38.312  136.553  100.575  177.974   41.436   11.192   3.8387   13.372   1.5963 -2.179840 4.157395 
1 1 1  -19   28   25 o   6.7732   1.9427   26.358   40.834 -87.9491   92.696   53.880   45.484   6.1285   2.9056   7.4178   2.5794 -1.289327 3.885306 
1 1 1  -19   29    1 o   80.429   0.7820  6288.35  122.094  6371.43  173.247  6206.37  172.092   80.957   1.1024   79.901   1.1095 1.056335 1.564093 
1 1 1  -19   29    2 o  104.266   0.9496 10575.43  192.179 10723.89  272.977 10429.54  270.604  104.992   1.3394  103.540   1.3464 1.452194 1.899105 
1 1 1  -19   29    3 o   26.609   0.8941  692.148   45.911  769.186   64.398  612.518   65.472   28.126   1.1795   25.092   1.3442 3.033957 1.788289 
1 1 1  -19   29    4 o   68.117   0.7153  4509.96   94.568  4579.35  133.404  4439.86  134.076   68.645   1.0011   67.589   1.0219 1.055435 1.430590 
1 1 1  -19   29    5 o   24.637   0.8912  590.168   42.580  554.231   59.610  627.604   60.842   23.871   1.2865   25.404   1.2338 -1.533167 1.782457 
1 1 1  -19   29    6 o   26.522   0.8080  687.144   41.388  752.141   57.823  618.857   59.268   27.817   1.0709   25.227   1.2103 2.589991 1.616033 
1 1 1  -19   29    7 o   21.566   0.9209  451.233   38.499  429.046   52.772  476.474   56.288   21.001   1.2945   22.131   1.3103 -1.129725 1.841866 
1 1 1  -19   29    8 f   39.192   0.6297  1492.52   47.849  1492.60   66.101  1492.42   69.355   39.194   0.8688   39.190   0.9117 0.4596710E-02 1.259353 
1 1 1  -19   29    9 o   76.322   0.7400  5662.83  109.624  5625.94  153.854  5700.88  156.236   76.071   1.0419   76.574   1.0511 -0.5038452 1.479971 
1 1 1  -19   29   10 o   57.702   0.8209  3213.29   84.044  3302.61  155.171  3176.21   99.979   58.239   1.3726   57.166   0.9010 1.073006 1.641853 
1 1 1  -19   29   11 o   87.745   1.0299  7565.20  165.602  7312.40  283.465  7696.18  204.043   86.562   1.6870   88.928   1.1820 -2.365807 2.059853 
1 1 1  -19   29   12 o   55.315   0.8526  2942.28   80.020  3054.41  159.183  2904.36   92.566   55.972   1.4651   54.659   0.8724 1.312817 1.705168 
1 1 1  -19   29   13 o   40.804   1.6350  1625.89  129.507  1625.89  129.507   0.0000   0.0000   40.804   1.6350  ?   ?       ?      ? 
1 1 1  -19   29   14 o   51.476   1.5328  2587.39  153.161  2587.39  153.161   0.0000   0.0000   51.476   1.5328  ?   ?       ?      ? 
1 1 1  -19   29   15 o   22.985   2.1689  519.838   96.769  519.838   96.769   0.0000   0.0000   22.985   2.1689  ?   ?       ?      ? 
1 1 1  -19   29   16 o   17.739   3.1757  324.044  105.341  324.044  105.341   0.0000   0.0000   17.739   3.1757  ?   ?       ?      ? 
1 1 1  -19   29   17 o   63.454   1.5229  3941.76  187.581  3941.76  187.581   0.0000   0.0000   63.454   1.5229  ?   ?       ?      ? 
1 1 1  -19   29   18 o   27.439   1.8662  742.533   99.402  742.533   99.402   0.0000   0.0000   27.439   1.8662  ?   ?       ?      ? 
1 1 1  -19   29   19 o   11.871   3.9416  145.045  106.053  145.045  106.053   0.0000   0.0000   11.871   3.9416  ?   ?       ?      ? 
1 1 1  -19   29   20 o   25.985   1.0885  647.559   29.721  686.248  106.284  644.277   30.955   26.236   2.0869   25.734   0.6197 0.5027199 2.176961 
1 1 1  -19   29   21 o   10.411   1.9779   68.634   26.957  196.512   90.308   56.125   28.245   13.444   3.4448   7.3769   1.9448 6.067254 3.955852 
1 1 1  -19   29   22 o   15.477   1.9601  272.316   31.650  223.703  105.959  277.078   33.164   14.129   3.7865   16.826   1.0153 -2.697520 3.920296 
1 1 1  -19   29   23 o   19.053   1.4123  295.401   36.000  473.718  106.826  272.556   38.236   21.456   2.5649   16.651   1.1829 4.804455 2.824540 
1 1 1  -19   29   24 o   32.701   0.9250  1098.02   45.553  990.294  102.725  1124.39   50.824   31.473   1.6814   33.929   0.7717 -2.456034 1.850019 
1 1 1  -19   29   25 o   11.864   2.1095  100.785   39.478  279.994  100.674   68.222   42.915   15.683   3.4045   8.0443   2.4917 7.638934 4.218943 
1 1 1  -19   30    1 o   39.535   0.7073  1519.87   54.150  1528.73   74.132  1509.72   79.288   39.661   0.9629   39.409   1.0364 0.2514877 1.414689 
1 1 1  -19   30    2 o   35.454   0.7397  1219.08   50.755  1188.51   68.779  1255.62   75.207   34.968   1.0132   35.939   1.0780 -0.9703751 1.479465 
1 1 1  -19   30    3 o   32.099   0.7441  1001.63   46.362  1019.02   65.624  984.298   65.507   32.378   1.0441   31.821   1.0605 0.5571175 1.488233 
1 1 1  -19   30    4 o   47.748   0.6523  2214.29   60.424  2185.90   83.814  2245.02   87.192   47.430   0.9103   48.065   0.9345 -0.6356544 1.304601 
1 1 1  -19   30    5 o   45.226   0.6417  1988.92   56.290  2059.93   79.166  1916.31   80.054   46.044   0.8857   44.407   0.9287 1.636478 1.283336 
1 1 1  -19   30    6 o   14.433   1.3947  206.358   38.468  228.896   52.045  179.218   57.111   15.323   1.7497   13.543   2.1724 1.780407 2.789423 
1 1 1  -19   30    7 o   15.240   1.2055  225.856   35.603  208.353   49.117  245.235   51.682   14.619   1.7308   15.862   1.6785 -1.243288 2.411044 
1 1 1  -19   30    8 o   39.804   0.6126  1535.66   47.262  1427.77   65.122  1655.72   68.700   38.330   0.8752   41.278   0.8574 -2.947655 1.225196 
1 1 1  -19   30    9 o   44.948   0.5932  1960.20   51.670  1913.56   70.685  2013.73   75.721   44.376   0.8206   45.520   0.8569 -1.144241 1.186449 
1 1 1  -19   30   10 o   65.750   0.8731  4213.80  103.180  4193.67  184.686  4222.93  124.406   65.599   1.4503   65.901   0.9725 -0.3020325 1.746207 
1 1 1  -19   30   11 o  104.469   1.3756 10675.64  278.910 10986.03  396.502 10371.63  392.408  105.979   1.9273  102.958   1.9634 3.021072 2.751297 
1 1 1  -19   30   12 o   38.127   1.1059  1405.36   81.248  1525.21  124.317  1316.01  107.346   39.525   1.6203   36.729   1.5056 2.795811 2.211850 
1 1 1  -19   30   13 o   58.956   1.5327  3393.37  175.404  3393.37  175.404   0.0000   0.0000   58.956   1.5327  ?   ?       ?      ? 
1 1 1  -19   30   14 o   43.356   1.6583  1838.65  139.564  1838.65  139.564   0.0000   0.0000   43.356   1.6583  ?   ?       ?      ? 
1 1 1  -19   30   15 o   7.3942   3.2881 -30.0767   94.792 -30.0767   94.792   0.0000   0.0000   7.3942   3.2881  ?   ?       ?      ? 
1 1 1  -19   30   16 o   29.015   2.0767  829.454  116.967  829.454  116.967   0.0000   0.0000   29.015   2.0767  ?   ?       ?      ? 
1 1 1  -19   30   17 o   43.505   1.6414  1857.81  138.623  1857.81  138.623   0.0000   0.0000   43.505   1.6414  ?   ?       ?      ? 
1 1 1  -19   30   18 o   24.902   2.2617  617.441  109.332  617.441  109.332   0.0000   0.0000   24.902   2.2617  ?   ?       ?      ? 
1 1 1  -19   30   19 o   33.197   1.7753  1089.79  114.403  1089.79  114.403   0.0000   0.0000   33.197   1.7753  ?   ?       ?      ? 
1 1 1  -19   30   20 o   9.4593   3.7705   60.298  104.125   60.298  104.125   0.0000   0.0000   9.4593   3.7705  ?   ?       ?      ? 
1 1 1  -19   30   21 o   16.151   1.6332  238.474   22.429  300.854   99.600  235.142   23.020   16.770   3.1759   15.532   0.7635 1.237916 3.266425 
1 1 1  -19   30   22 o   24.830   1.0841  500.951   31.262  761.807  108.537  477.352   32.646   27.537   2.0305   22.123   0.7602 5.414238 2.168114 
1 1 1  -19   30   23 o   7.5766   2.0629   48.342   31.644  -9.1833  106.401   53.924   33.144   7.9142   3.5031   7.2389   2.1797 0.6752696 4.125894 
1 1 1  -19   30   24 o   17.411   1.7150  299.285   36.485  341.782  105.993  293.573   38.860   17.563   3.2279   17.260   1.1598 0.3025188 3.429989 
1 1 1  -19   31    1 o   57.676   0.6793  3227.87   75.931  3141.53  103.942  3326.66  111.189   56.852   0.9418   58.500   0.9791 -1.647804 1.358594 
1 1 1  -19   31    2 o   47.795   0.6630  2219.62   61.375  2211.19   83.971  2229.29   89.928   47.700   0.9069   47.891   0.9673 -0.1906357 1.325959 
1 1 1  -19   31    3 o   65.349   0.6989  4148.47   88.564  4097.63  122.146  4204.81  128.598   64.929   0.9691   65.769   1.0073 -0.8399048 1.397789 
1 1 1  -19   31    4 o   55.865   0.6721  3033.87   72.850  3052.69  101.545  3013.91  104.573   56.045   0.9334   55.685   0.9674 0.3598900 1.344289 
1 1 1  -19   31    5 o   27.949   0.7871  760.754   42.640  789.824   59.493  730.047   61.145   28.501   1.0753   27.397   1.1497 1.103277 1.574230 
1 1 1  -19   31    6 o   37.905   0.6641  1396.64   48.864  1386.89   69.325  1406.26   68.886   37.774   0.9454   38.037   0.9330 -0.2636108 1.328258 
1 1 1  -19   31    7 o   20.776   0.9234  420.059   37.229  405.434   52.236  435.157   53.075   20.408   1.3186   21.144   1.2931 -0.7360306 1.846842 
1 1 1  -19   31    8 o   32.454   0.6523  1023.67   41.088  1053.94   58.531  994.251   57.692   32.927   0.9157   31.981   0.9293 0.9468136 1.304674 
1 1 1  -19   31    9 o   87.876   0.8251  7515.37  140.736  7524.25  197.592  7506.23  200.501   87.930   1.1576   87.821   1.1761 0.1090851 1.650252 
1 1 1  -19   31   10 o   56.740   0.8453  3182.25   84.128  3020.88  155.187  3249.42  100.115   55.668   1.4361   57.812   0.8921 -2.144047 1.690618 
1 1 1  -19   31   11 o   17.795   2.0224  330.661   65.358  249.084   98.588  394.625   87.299   15.538   3.3659   20.051   2.2429 -4.512890 4.044758 
1 1 1  -19   31   12 o   42.916   1.0353  1790.72   86.082  1900.81  126.638  1696.16  117.366   44.136   1.4781   41.696   1.4500 2.439415 2.070620 
1 1 1  -19   31   13 o   45.084   1.6164  1986.97  141.460  1986.97  141.460   0.0000   0.0000   45.084   1.6164  ?   ?       ?      ? 
1 1 1  -19   31   14 o   51.181   1.5546  2561.23  154.448  2561.23  154.448   0.0000   0.0000   51.181   1.5546  ?   ?       ?      ? 
1 1 1  -19   31   15 o   25.544   2.0845  642.510  103.362  642.510  103.362   0.0000   0.0000   25.544   2.0845  ?   ?       ?      ? 
1 1 1  -19   31   16 o   62.478   1.5402  3823.38  186.802  3823.38  186.802   0.0000   0.0000   62.478   1.5402  ?   ?       ?      ? 
1 1 1  -19   31   17 o   15.427   3.7193  255.039  110.081  255.039  110.081   0.0000   0.0000   15.427   3.7193  ?   ?       ?      ? 
1 1 1  -19   31   18 o   23.931   2.3704  573.051  110.118  573.051  110.118   0.0000   0.0000   23.931   2.3704  ?   ?       ?      ? 
1 1 1  -19   31   19 f   8.4486   3.5406   24.674   97.699   24.674   97.699   0.0000   0.0000   8.4486   3.5406  ?   ?       ?      ? 
1 1 1  -19   31   20 o   12.864   3.9111  180.658  106.336  180.658  106.336   0.0000   0.0000   12.864   3.9111  ?   ?       ?      ? 
1 1 1  -19   31   21 o   9.1833   3.4868   71.817   85.720   71.817   85.720   0.0000   0.0000   9.1833   3.4868  ?   ?       ?      ? 
1 1 1  -19   31   22 o   31.807   1.7404  1008.56  107.461  1008.56  107.461   0.0000   0.0000   31.807   1.7404  ?   ?       ?      ? 
1 1 1  -19   31   23 o   26.768   1.0926  641.080   31.871  804.536  113.686  627.137   33.203   28.175   2.0786   25.360   0.6745 2.815054 2.185273 
1 1 1  -19   31   24 o   24.415   1.2245  513.254   35.088  718.635  117.750  493.239   36.758   26.383   2.2991   22.447   0.8436 3.936455 2.449009 
1 1 1  -19   32    1 o   15.467   1.4587  233.235   43.706  222.581   59.496  245.724   64.416   15.087   2.0315   15.848   2.0939 -0.7612448 2.917466 
1 1 1  -19   32    2 o   27.551   0.8416  738.941   44.943  745.790   62.080  731.398   65.150   27.687   1.1551   27.415   1.2242 0.2724533 1.683139 
1 1 1  -19   32    3 o   23.228   0.9580  525.976   43.114  514.181   62.497  536.687   59.555   22.977   1.4012   23.480   1.3066 -0.5027161 1.915908 
1 1 1  -19   32    4 o   18.711   1.1417  343.130   41.226  379.163   57.678  305.496   58.947   19.726   1.5063   17.695   1.7161 2.030096 2.283385 
1 1 1  -19   32    5 o   47.598   0.6523  2199.97   60.224  2324.44   86.624  2083.52   83.787   48.901   0.9126   46.296   0.9323 2.604977 1.304598 
1 1 1  -19   32    6 o   50.205   0.6437  2450.03   62.734  2431.19   88.350  2469.19   89.092   50.010   0.9101   50.399   0.9106 -0.3892250 1.287454 
1 1 1  -19   32    7 o   33.418   0.6562  1085.26   42.554  1103.73   61.149  1067.91   59.257   33.693   0.9349   33.143   0.9210 0.5503769 1.312413 
1 1 1  -19   32    8 o   65.969   0.6858  4230.59   87.807  4152.96  122.734  4311.98  125.674   65.350   0.9675   66.589   0.9722 -1.238838 1.371622 
1 1 1  -19   32    9 o   11.762   1.3609  142.436   29.247  102.343   42.696  177.883   40.145   10.020   2.2501   13.504   1.5315 -3.483956 2.721855 
1 1 1  -19   32   10 o   21.717   1.3455  424.827   32.169  508.063  112.788  417.456   33.563   22.711   2.5583   20.723   0.8344 1.988672 2.690947 
1 1 1  -19   32   11 o   33.771   1.2491  1107.49   81.353  1050.38  107.980  1182.46  123.719   32.781   1.6969   34.761   1.8335 -1.979671 2.498240 
1 1 1  -19   32   12 o   37.311   1.5937  1360.47  115.424  1360.47  115.424   0.0000   0.0000   37.311   1.5937  ?   ?       ?      ? 
1 1 1  -19   32   13 o   23.942   2.5649  567.383  119.207  567.383  119.207   0.0000   0.0000   23.942   2.5649  ?   ?       ?      ? 
1 1 1  -19   32   14 o   12.882   4.0779  169.068  114.294  169.068  114.294   0.0000   0.0000   12.882   4.0779  ?   ?       ?      ? 
1 1 1  -19   32   15 o   56.391   1.4351  3109.62  157.090  3109.62  157.090   0.0000   0.0000   56.391   1.4351  ?   ?       ?      ? 
1 1 1  -19   32   16 o   32.724   1.9453  1056.65  123.575  1056.65  123.575   0.0000   0.0000   32.724   1.9453  ?   ?       ?      ? 
1 1 1  -19   32   17 o   33.658   1.7094  1116.06  111.687  1116.06  111.687   0.0000   0.0000   33.658   1.7094  ?   ?       ?      ? 
1 1 1  -19   32   18 o   13.441   3.9233  196.760  108.725  196.760  108.725   0.0000   0.0000   13.441   3.9233  ?   ?       ?      ? 
1 1 1  -19   32   19 o   12.922   3.7122  181.175   98.037  181.175   98.037   0.0000   0.0000   12.922   3.7122  ?   ?       ?      ? 
1 1 1  -19   32   20 o   26.812   2.2356  723.131  116.354  723.131  116.354   0.0000   0.0000   26.812   2.2356  ?   ?       ?      ? 
1 1 1  -19   32   21 o   18.923   2.8793  371.712  105.764  371.712  105.764   0.0000   0.0000   18.923   2.8793  ?   ?       ?      ? 
1 1 1  -19   32   22 o   12.958   3.8786  191.265  105.179  191.265  105.179   0.0000   0.0000   12.958   3.8786  ?   ?       ?      ? 
1 1 1  -19   32   23 o   9.8888   3.8247   90.443  104.419   90.443  104.419   0.0000   0.0000   9.8888   3.8247  ?   ?       ?      ? 
1 1 1  -19   33    1 o   40.929   0.7065  1630.50   56.072  1716.29   79.256  1544.53   79.341   42.010   0.9719   39.849   1.0257 2.161903 1.413012 
1 1 1  -19   33    2 o   14.349   1.5129  202.169   41.960  207.791   57.255  195.645   61.672   14.572   2.0241   14.126   2.2491 0.4458160 3.025798 
1 1 1  -19   33    3 o   31.778   0.7958  981.950   49.032  969.630   67.523  995.694   71.317   31.569   1.1019   31.987   1.1486 -0.4181404 1.591628 
1 1 1  -19   33    4 o   28.550   0.7874  790.845   43.554  726.301   59.994  862.768   63.330   27.320   1.1312   29.779   1.0956 -2.458593 1.574782 
1 1 1  -19   33    5 o   21.327   0.9507  442.986   39.345  427.143   55.239  459.300   56.056   20.939   1.3590   21.715   1.3298 -0.7756023 1.901412 
1 1 1  -19   33    6 o   26.014   0.8026  659.982   40.425  609.534   57.428  709.537   56.916   25.024   1.1822   27.005   1.0857 -1.980934 1.605150 
1 1 1  -19   33    7 o   24.449   0.7738  581.621   36.717  583.192   52.525  580.119   51.346   24.481   1.1053   24.417   1.0833 0.6334114E-01 1.547630 
1 1 1  -19   33    8 o   37.830   0.5981  1393.39   43.854  1330.46   62.794  1453.31   61.272   36.993   0.8744   38.667   0.8163 -1.674335 1.196243 
1 1 1  -19   33    9 o   30.540   0.5786  906.079   34.291  933.356   49.248  880.408   47.776   30.986   0.8188   30.094   0.8178 0.8916798 1.157235 
1 1 1  -19   33   10 o   27.124   1.6398  722.908   85.450  591.854  117.827  868.309  124.108   24.507   2.4767   29.740   2.1498 -5.232149 3.279620 
1 1 1  -19   33   11 o   15.671   2.4983  259.459   75.461  305.721   99.562  197.008  115.679   17.545   2.9233   13.797   4.0523 3.747767 4.996697 
1 1 1  -19   33   12 o   21.984   2.3209  476.617   99.045  476.617   99.045   0.0000   0.0000   21.984   2.3209  ?   ?       ?      ? 
1 1 1  -19   33   13 o   27.665   2.2786  755.240  122.367  755.240  122.367   0.0000   0.0000   27.665   2.2786  ?   ?       ?      ? 
1 1 1  -19   33   14 o   28.873   2.1909  822.882  122.795  822.882  122.795   0.0000   0.0000   28.873   2.1909  ?   ?       ?      ? 
1 1 1  -19   33   15 o   34.710   1.5607  1181.07  105.158  1181.07  105.158   0.0000   0.0000   34.710   1.5607  ?   ?       ?      ? 
1 1 1  -19   33   16 o   30.407   1.9954  914.894  117.778  914.894  117.778   0.0000   0.0000   30.407   1.9954  ?   ?       ?      ? 
1 1 1  -19   33   17 o   11.539   3.6664  138.932   92.325  138.932   92.325   0.0000   0.0000   11.539   3.6664  ?   ?       ?      ? 
1 1 1  -19   33   18 o   23.706   2.4481  565.824  112.653  565.824  112.653   0.0000   0.0000   23.706   2.4481  ?   ?       ?      ? 
1 1 1  -19   33   19 o   35.214   1.5995  1224.38  109.337  1224.38  109.337   0.0000   0.0000   35.214   1.5995  ?   ?       ?      ? 
1 1 1  -19   33   20 o   6.6438   3.1457 -107.0392  107.943 -107.0392  107.943   0.0000   0.0000   6.6438   3.1457  ?   ?       ?      ? 
1 1 1  -19   33   21 o   16.005   3.6621  286.908  111.311  286.908  111.311   0.0000   0.0000   16.005   3.6621  ?   ?       ?      ? 
1 1 1  -19   33   22 o   42.252   1.4935  1771.41  122.498  1771.41  122.498   0.0000   0.0000   42.252   1.4935  ?   ?       ?      ? 
1 1 1  -19   33   23 o   13.060   3.6728  198.497   97.006  198.497   97.006   0.0000   0.0000   13.060   3.6728  ?   ?       ?      ? 
1 1 1  -19   34    1 o   49.471   0.6810  2379.95   65.372  2368.76   91.056  2391.85   93.909   49.353   0.9505   49.590   0.9755 -0.2373657 1.362008 
1 1 1  -19   34    2 o   15.407   1.4643  232.633   43.771  239.432   61.634  225.714   62.172   15.637   2.0306   15.177   2.1103 0.4599380 2.928602 
1 1 1  -19   34    3 o   7.6542   2.0531   41.645   41.985   41.120   58.439   42.205   60.360   7.5980   2.8804   7.7105   2.9263 -0.1125207 4.106137 
1 1 1  -19   34    4 o   18.152   1.1258  320.780   39.622  304.147   54.511  339.413   57.693   17.654   1.5906   18.649   1.5937 -0.9952393 2.251653 
1 1 1  -19   34    5 o   26.451   0.8075  682.943   41.343  727.461   57.723  636.052   59.241   27.342   1.0876   25.560   1.1940 1.782198 1.615065 
1 1 1  -19   34    6 o   28.297   0.7319  780.585   40.117  730.724   57.205  828.840   56.276   27.403   1.0754   29.190   0.9932 -1.787323 1.463839 
1 1 1  -19   34    7 o   45.514   0.6163  2014.06   54.445  1966.34   76.710  2062.51   77.288   44.970   0.8787   46.058   0.8644 -1.087971 1.232659 
1 1 1  -19   34    8 o   15.226   1.0487  226.304   30.974  216.383   43.801  236.227   43.807   14.890   1.5154   15.561   1.4502 -0.6713963 2.097495 
1 1 1  -19   34    9 o   12.220   2.2843  113.640   32.182  107.701   33.281  199.130  126.263   10.498   1.6331   13.941   4.2667 -3.442985 4.568525 
1 1 1  -19   34   10 o   36.335   1.3423  1302.68   93.911  1473.54  131.751  1126.21  133.897   38.800   1.7493   33.870   2.0365 4.930130 2.684668 
1 1 1  -19   34   11 o   36.059   1.2526  1276.55   87.491  1335.60  121.811  1213.62  125.745   36.936   1.6989   35.183   1.8412 1.753422 2.505239 
1 1 1  -19   34   12 o   31.556   1.7403  975.859  106.602  975.859  106.602   0.0000   0.0000   31.556   1.7403  ?   ?       ?      ? 
1 1 1  -19   34   13 f   21.908   2.7549  478.142  117.159  478.142  117.159   0.0000   0.0000   21.908   2.7549  ?   ?       ?      ? 
1 1 1  -19   34   14 o   7.6258   3.4856 -66.6067  115.329 -66.6067  115.329   0.0000   0.0000   7.6258   3.4856  ?   ?       ?      ? 
1 1 1  -19   34   15 o   29.876   1.7220  878.414   99.866  878.414   99.866   0.0000   0.0000   29.876   1.7220  ?   ?       ?      ? 
1 1 1  -19   34   16 o   45.077   1.6087  1999.58  140.768  1999.58  140.768   0.0000   0.0000   45.077   1.6087  ?   ?       ?      ? 
1 1 1  -19   34   17 o   22.303   2.3938  499.836  103.638  499.836  103.638   0.0000   0.0000   22.303   2.3938  ?   ?       ?      ? 
1 1 1  -19   34   18 o   12.748   4.0035  175.520  110.358  175.520  110.358   0.0000   0.0000   12.748   4.0035  ?   ?       ?      ? 
1 1 1  -19   34   19 o   12.277   3.8145  164.245  100.486  164.245  100.486   0.0000   0.0000   12.277   3.8145  ?   ?       ?      ? 
1 1 1  -19   34   20 o   13.923   3.7444  217.586  103.401  217.586  103.401   0.0000   0.0000   13.923   3.7444  ?   ?       ?      ? 
1 1 1  -19   34   21 o   33.076   1.8944  1097.44  121.634  1097.44  121.634   0.0000   0.0000   33.076   1.8944  ?   ?       ?      ? 
1 1 1  -19   34   22 o   8.0217   3.5260   0.9029  106.014   0.9029  106.014   0.0000   0.0000   8.0217   3.5260  ?   ?       ?      ? 
1 1 1  -19   34   23 o   21.978   2.3728  501.097  101.232  501.097  101.232   0.0000   0.0000   21.978   2.3728  ?   ?       ?      ? 
1 1 1  -19   35    1 o   41.853   0.9633  1698.88   70.140  1727.94  133.445  1687.79   82.447   42.057   1.6345   41.648   1.0198 0.4092751 1.926583 
1 1 1  -19   35    2 o   61.965   0.7008  3735.46   84.258  3737.37  117.362  3733.43  121.042   61.983   0.9754   61.946   1.0066 0.3723526E-01 1.401666 
1 1 1  -19   35    3 o   51.321   0.6701  2557.24   66.634  2491.14   91.040  2633.51   97.790   50.611   0.9267   52.032   0.9682 -1.421337 1.340188 
1 1 1  -19   35    4 o   62.825   0.6960  3836.56   84.704  3794.44  115.770  3885.09  124.259   62.458   0.9549   63.191   1.0130 -0.7331696 1.392090 
1 1 1  -19   35    5 o   37.945   0.6660  1401.39   48.931  1414.71   67.014  1386.19   71.612   38.141   0.9051   37.748   0.9773 0.3924446 1.332047 
1 1 1  -19   35    6 o   58.455   0.6612  3321.87   74.866  3296.77  102.429  3350.66  109.698   58.222   0.9063   58.689   0.9629 -0.4662819 1.322324 
1 1 1  -19   35    7 o   40.916   0.6129  1628.32   48.669  1642.92   68.194  1613.16   69.480   41.104   0.8547   40.728   0.8788 0.3761673 1.225877 
1 1 1  -19   35    8 o   28.686   0.6352  802.449   35.264  735.457   50.132  868.066   49.615   27.495   0.9393   29.877   0.8555 -2.382092 1.270481 
1 1 1  -19   35    9 o   27.802   1.6147  764.093   86.332  739.898  130.096  783.132  115.405   27.377   2.4480   28.227   2.1062 -0.8502579 3.229348 
1 1 1  -19   35   10 o   28.430   1.5347  786.913   84.151  875.180  128.244  720.169  111.517   29.806   2.2165   27.054   2.1234 2.751776 3.069490 
1 1 1  -19   35   11 o   15.568   2.5397  254.257   75.071  250.780  110.029  257.285  102.684   15.441   3.7159   15.695   3.4631 -0.2546968 5.079460 
1 1 1  -19   35   12 o   8.9169   3.6325   36.544   98.982   36.544   98.982   0.0000   0.0000   8.9169   3.6325  ?   ?       ?      ? 
1 1 1  -19   35   13 o   25.264   2.4595  634.071  120.619  634.071  120.619   0.0000   0.0000   25.264   2.4595  ?   ?       ?      ? 
1 1 1  -19   35   14 o   20.623   2.8367  427.957  113.565  427.957  113.565   0.0000   0.0000   20.623   2.8367  ?   ?       ?      ? 
1 1 1  -19   35   15 o   22.590   2.2416  508.149   98.297  508.149   98.297   0.0000   0.0000   22.590   2.2416  ?   ?       ?      ? 
1 1 1  -19   35   16 o   8.9501   3.7767   24.474  112.414   24.474  112.414   0.0000   0.0000   8.9501   3.7767  ?   ?       ?      ? 
1 1 1  -19   35   17 o   20.693   2.2935  429.247   92.127  429.247   92.127   0.0000   0.0000   20.693   2.2935  ?   ?       ?      ? 
1 1 1  -19   35   18 o   42.449   1.6226  1780.73  133.699  1780.73  133.699   0.0000   0.0000   42.449   1.6226  ?   ?       ?      ? 
1 1 1  -19   35   19 f   7.1846   3.3001 -57.0445  105.124 -57.0445  105.124   0.0000   0.0000   7.1846   3.3001  ?   ?       ?      ? 
1 1 1  -19   35   20 o   10.103   3.6935   99.475   94.425   99.475   94.425   0.0000   0.0000   10.103   3.6935  ?   ?       ?      ? 
1 1 1  -19   35   21 o   14.192   3.8604  232.359  109.168  232.359  109.168   0.0000   0.0000   14.192   3.8604  ?   ?       ?      ? 
1 1 1  -19   35   22 o   7.0085   3.2810 -77.0078  111.670 -77.0078  111.670   0.0000   0.0000   7.0085   3.2810  ?   ?       ?      ? 
1 1 1  -19   36    1 o   33.851   0.7521  1117.66   49.253  1143.15   67.404  1088.46   72.145   34.271   1.0132   33.432   1.1117 0.8393669 1.504122 
1 1 1  -19   36    2 o   32.637   0.7580  1037.40   47.955  1107.88   68.205  968.491   67.439   33.737   1.0415   31.538   1.1016 2.199001 1.515956 
1 1 1  -19   36    3 o   37.940   0.7008  1399.21   51.585  1352.01   71.535  1450.35   74.458   37.275   0.9886   38.606   0.9936 -1.331352 1.401625 
1 1 1  -19   36    4 o   30.884   0.7315  928.101   43.784  923.191   60.149  933.635   63.857   30.800   1.0060   30.969   1.0622 -0.1690140 1.463027 
1 1 1  -19   36    5 o   33.667   0.6874  1103.93   44.869  1166.26   63.395  1041.36   63.514   34.623   0.9432   32.712   1.0002 1.911148 1.374839 
1 1 1  -19   36    6 o   22.318   0.8533  484.422   36.927  465.236   50.765  505.982   53.814   21.851   1.1968   22.786   1.2166 -0.9352989 1.706642 
1 1 1  -19   36    7 o   48.908   0.5883  2326.12   55.837  2332.49   79.894  2320.03   78.068   48.973   0.8404   48.844   0.8234 0.1289902 1.176537 
1 1 1  -19   36    8 o   58.415   1.0810  3332.30  122.407  3384.30  178.470  3286.11  168.204   58.836   1.5626   57.994   1.4941 0.8417702 2.162007 
1 1 1  -19   36    9 o   22.278   1.9153  480.449   81.772  594.633  127.379  400.405  106.650   24.479   2.6806   20.078   2.7364 4.401056 3.830618 
1 1 1  -19   36   10 o   16.745   2.5641  279.270   84.393  442.319  128.802  156.615  111.713   21.008   3.1585   12.482   4.0402 8.525956 5.128261 
1 1 1  -19   36   11 o   19.984   2.1128  397.662   81.714  373.584  110.440  426.790  121.469   19.328   2.9436   20.640   3.0317 -1.312084 4.225660 
1 1 1  -19   36   12 o   29.152   1.9001  836.435  107.524  836.435  107.524   0.0000   0.0000   29.152   1.9001  ?   ?       ?      ? 
1 1 1  -19   36   13 o   17.702   3.5787  331.471  118.744  331.471  118.744   0.0000   0.0000   17.702   3.5787  ?   ?       ?      ? 
1 1 1  -19   36   14 o   18.003   3.3002  340.660  111.085  340.660  111.085   0.0000   0.0000   18.003   3.3002  ?   ?       ?      ? 
1 1 1  -19   36   15 o   25.034   2.3122  626.956  112.362  626.956  112.362   0.0000   0.0000   25.034   2.3122  ?   ?       ?      ? 
1 1 1  -19   36   16 o   28.620   2.1277  817.484  118.208  817.484  118.208   0.0000   0.0000   28.620   2.1277  ?   ?       ?      ? 
1 1 1  -19   36   17 o   38.852   1.6706  1491.90  125.993  1491.90  125.993   0.0000   0.0000   38.852   1.6706  ?   ?       ?      ? 
1 1 1  -19   36   18 o   20.648   2.7519  437.450  110.298  437.450  110.298   0.0000   0.0000   20.648   2.7519  ?   ?       ?      ? 
1 1 1  -19   36   19 o   16.694   3.5075  307.210  110.048  307.210  110.048   0.0000   0.0000   16.694   3.5075  ?   ?       ?      ? 
1 1 1  -19   36   20 o   21.222   2.3207  459.253   95.602  459.253   95.602   0.0000   0.0000   21.222   2.3207  ?   ?       ?      ? 
1 1 1  -19   36   21 o   32.590   1.7960  1066.50  113.617  1066.50  113.617   0.0000   0.0000   32.590   1.7960  ?   ?       ?      ? 
1 1 1  -19   36   22 o   5.7320   2.8197 -194.7378  109.933 -194.7378  109.933   0.0000   0.0000   5.7320   2.8197  ?   ?       ?      ? 
1 1 1  -19   37    1 o   9.2776   2.0968   83.256   42.764   70.244   58.463   98.229   62.716   8.6681   2.9270   9.8871   3.0031 -1.218959 4.193591 
1 1 1  -19   37    2 o   43.563   0.7051  1846.81   59.568  1835.73   82.329  1858.99   86.295   43.428   0.9766   43.697   1.0173 -0.2689400 1.410219 
1 1 1  -19   37    3 o   36.267   0.7291  1281.30   51.296  1307.10   71.760  1254.33   73.353   36.643   1.0089   35.891   1.0529 0.7520027 1.458178 
1 1 1  -19   37    4 o   51.679   0.6693  2598.90   67.127  2673.69   95.328  2525.34   94.541   52.418   0.9369   50.940   0.9561 1.477657 1.338588 
1 1 1  -19   37    5 o   60.519   0.6775  3562.40   79.538  3507.64  110.223  3621.90  114.890   60.036   0.9458   61.002   0.9702 -0.9657478 1.354946 
1 1 1  -19   37    6 o   16.403   1.0418  262.541   33.143  278.216   47.727  247.942   46.060   16.876   1.4569   15.929   1.4896 0.9469337 2.083591 
1 1 1  -19   37    7 o   16.035   2.0182  216.842   41.274  203.055   43.792  326.537  123.521   14.409   1.5656   17.662   3.7203 -3.252852 4.036300 
1 1 1  -19   37    8 o   17.070   1.7195  198.933   33.180  182.643   34.384  419.512  126.523   13.681   1.2947   20.458   3.1859 -6.777517 3.438931 
1 1 1  -19   37    9 o   10.452   2.7132   28.370   87.441 -129.9505  121.631  197.709  125.793   7.1017   3.3555   13.802   4.2645 -6.700666 5.426314 
1 1 1  -19   37   10 o   20.176   2.3643  423.202   88.602  509.496  123.888  332.851  126.767   22.590   2.8252   17.762   3.7919 4.827866 4.728669 
1 1 1  -19   37   11 o   29.194   1.5440  848.097   86.722  891.489  117.122  795.433  129.029   30.068   2.0066   28.320   2.3470 1.747696 3.087910 
1 1 1  -19   37   12 o   14.010   3.5202  208.588   95.618  208.588   95.618   0.0000   0.0000   14.010   3.5202  ?   ?       ?      ? 
1 1 1  -19   37   13 o   9.1932   3.8493   28.976  115.319   28.976  115.319   0.0000   0.0000   9.1932   3.8493  ?   ?       ?      ? 
1 1 1  -19   37   14 o   7.9047   3.4874 -17.4608  104.595 -17.4608  104.595   0.0000   0.0000   7.9047   3.4874  ?   ?       ?      ? 
1 1 1  -19   37   15 o   17.810   3.3750  338.357  112.412  338.357  112.412   0.0000   0.0000   17.810   3.3750  ?   ?       ?      ? 
1 1 1  -19   37   16 o   41.451   1.6288  1695.81  131.056  1695.81  131.056   0.0000   0.0000   41.451   1.6288  ?   ?       ?      ? 
1 1 1  -19   37   17 o   16.118   3.7006  286.186  113.339  286.186  113.339   0.0000   0.0000   16.118   3.7006  ?   ?       ?      ? 
1 1 1  -19   37   18 o   25.716   2.1254  665.499  106.099  665.499  106.099   0.0000   0.0000   25.716   2.1254  ?   ?       ?      ? 
1 1 1  -19   37   19 o   36.350   1.7961  1319.74  126.736  1319.74  126.736   0.0000   0.0000   36.350   1.7961  ?   ?       ?      ? 
1 1 1  -19   37   20 o   10.082   3.8360   95.872  103.880   95.872  103.880   0.0000   0.0000   10.082   3.8360  ?   ?       ?      ? 
1 1 1  -19   37   21 o   16.280   3.5570  303.236  109.267  303.236  109.267   0.0000   0.0000   16.280   3.5570  ?   ?       ?      ? 
1 1 1  -19   38    1 o   25.951   0.9456  658.097   47.511  647.830   69.465  667.122   65.125   25.754   1.3895   26.147   1.2831 -0.3927002 1.891287 
1 1 1  -19   38    2 o   43.717   0.6847  1860.38   58.101  1832.12   81.768  1889.20   82.573   43.381   0.9710   44.053   0.9656 -0.6713905 1.369385 
1 1 1  -19   38    3 o   26.640   0.8656  692.336   44.736  700.936   62.470  683.284   64.093   26.812   1.2003   26.467   1.2475 0.3446007 1.731144 
1 1 1  -19   38    4 o   85.244   0.8280  7083.64  137.016  7121.20  193.841  7046.14  193.699   85.470   1.1683   85.017   1.1737 0.4533234 1.656067 
1 1 1  -19   38    5 o   7.9096   1.9278   56.662   35.980   63.682   51.167   49.796   50.604   8.2102   2.7384   7.6089   2.7142 0.6013203 3.855603 
1 1 1  -19   38    6 f   20.866   1.6302  421.683   45.946  418.450   49.520  441.687  123.178   20.712   1.2317   21.020   3.0187 -0.3082085 3.260331 
1 1 1  -19   38    7 o   36.660   1.0078  1295.00   53.542  1285.85   58.596  1341.27  131.781   36.356   0.8303   36.964   1.8366 -0.6084213 2.015531 
1 1 1  -19   38    8 o   19.066   1.6119  323.267   28.067  318.761   28.851  402.825  121.227   18.101   0.8211   20.032   3.1175 -1.931240 3.223831 
1 1 1  -19   38    9 f   28.540   1.5918  809.872   87.680  748.357  127.647  864.825  120.646   27.474   2.3934   29.607   2.0992 -2.132528 3.183602 
1 1 1  -19   38   10 o   47.342   1.1345  2191.87  104.095  2365.76  151.714  2037.19  143.089   49.115   1.5913   45.569   1.6176 3.545921 2.269091 
1 1 1  -19   38   11 o   41.046   1.1947  1660.08   94.935  1790.12  133.818  1528.31  134.703   42.691   1.6148   39.401   1.7612 3.289474 2.389419 
1 1 1  -19   38   12 o   31.483   1.7883  977.545  109.286  977.545  109.286   0.0000   0.0000   31.483   1.7883  ?   ?       ?      ? 
1 1 1  -19   38   13 o   17.348   3.6223  323.166  118.044  323.166  118.044   0.0000   0.0000   17.348   3.6223  ?   ?       ?      ? 
1 1 1  -19   38   14 o   48.285   1.4750  2293.27  138.247  2293.27  138.247   0.0000   0.0000   48.285   1.4750  ?   ?       ?      ? 
1 1 1  -19   38   15 o   14.204   4.0179  222.463  115.744  222.463  115.744   0.0000   0.0000   14.204   4.0179  ?   ?       ?      ? 
1 1 1  -19   38   16 o   29.853   1.8746  886.174  108.633  886.174  108.633   0.0000   0.0000   29.853   1.8746  ?   ?       ?      ? 
1 1 1  -19   38   17 o   12.908   4.1361  185.287  117.309  185.287  117.309   0.0000   0.0000   12.908   4.1361  ?   ?       ?      ? 
1 1 1  -19   38   18 o   45.585   1.4267  2052.66  126.247  2052.66  126.247   0.0000   0.0000   45.585   1.4267  ?   ?       ?      ? 
1 1 1  -19   38   19 o   13.179   4.0627  200.193  114.243  200.193  114.243   0.0000   0.0000   13.179   4.0627  ?   ?       ?      ? 
1 1 1  -19   38   20 o   20.586   2.9452  450.251  117.696  450.251  117.696   0.0000   0.0000   20.586   2.9452  ?   ?       ?      ? 
1 1 1  -19   38   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   39    1 o   51.113   0.6882  2544.81   68.191  2554.22   94.073  2534.39   98.988   51.217   0.9462   51.008   0.9997 0.2086639 1.376495 
1 1 1  -19   39    2 o   51.174   0.7665  2548.03   75.220  2579.18  116.036  2525.45   98.788   51.427   1.1623   50.920   0.9994 0.5070229 1.532930 
1 1 1  -19   39    3 o   38.551   0.6936  1447.89   51.886  1485.63   73.089  1409.53   73.672   39.060   0.9639   38.042   0.9976 1.017941 1.387244 
1 1 1  -19   39    4 o   6.6775   2.2371 -87.1774   49.134  -1.5404  131.591 -101.0507   52.965   9.2733   4.0037   4.0816   1.9974 5.191698 4.474275 
1 1 1  -19   39    5 o   30.575   1.2389  945.315   55.392  960.853   61.145  874.205  130.810   31.408   1.0029   29.743   2.2657 1.665365 2.477726 
1 1 1  -19   39    6 o   47.232   0.9130  2169.23   71.257  2160.97   81.564  2195.88  146.441   47.117   0.8918   47.347   1.5933 -0.2300339 1.825902 
1 1 1  -19   39    7 o   40.234   0.9402  1587.77   57.583  1591.58   64.035  1571.68  131.632   40.444   0.8157   40.024   1.6942 0.4197273 1.880365 
1 1 1  -19   39    8 o   49.143   1.0955  2369.94  104.244  2419.64  143.384  2314.21  151.826   49.709   1.4859   48.577   1.6101 1.132240 2.190975 
1 1 1  -19   39    9 o   27.100   1.6457  731.482   86.344  691.357  124.207  769.006  120.114   26.351   2.4282   27.849   2.2219 -1.497492 3.291336 
1 1 1  -19   39   10 o   22.666   1.9195  512.534   84.150  563.910  125.559  470.639  113.384   23.686   2.7308   21.647   2.6983 2.038452 3.839025 
1 1 1  -19   39   11 o   28.481   1.3924  797.851   76.734  875.835  114.030  733.310  103.737   29.743   1.9750   27.219   1.9634 2.524269 2.784876 
1 1 1  -19   39   12 o   35.675   1.7492  1256.62  121.139  1256.62  121.139   0.0000   0.0000   35.675   1.7492  ?   ?       ?      ? 
1 1 1  -19   39   13 o   35.488   1.9157  1250.06  131.968  1250.06  131.968   0.0000   0.0000   35.488   1.9157  ?   ?       ?      ? 
1 1 1  -19   39   14 o   31.064   1.8382  956.393  110.844  956.393  110.844   0.0000   0.0000   31.064   1.8382  ?   ?       ?      ? 
1 1 1  -19   39   15 o   37.524   1.8164  1397.44  132.309  1397.44  132.309   0.0000   0.0000   37.524   1.8164  ?   ?       ?      ? 
1 1 1  -19   39   16 o   12.915   3.6755  184.198   96.555  184.198   96.555   0.0000   0.0000   12.915   3.6755  ?   ?       ?      ? 
1 1 1  -19   39   17 o   24.364   2.5623  608.196  121.186  608.196  121.186   0.0000   0.0000   24.364   2.5623  ?   ?       ?      ? 
1 1 1  -19   39   18 o   30.047   1.9527  907.236  113.893  907.236  113.893   0.0000   0.0000   30.047   1.9527  ?   ?       ?      ? 
1 1 1  -19   39   19 o   17.171   3.3967  328.038  109.211  328.038  109.211   0.0000   0.0000   17.171   3.3967  ?   ?       ?      ? 
1 1 1  -19   39   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   40    1 o   10.281   2.0123  109.357   42.325  135.473   59.110   81.879   60.631   11.421   2.7074   9.1405   2.9777 2.280516 4.024510 
1 1 1  -19   40    2 o   29.204   0.8306  836.567   46.840  893.760   64.597  773.153   68.020   30.272   1.0993   28.136   1.2454 2.135788 1.661157 
1 1 1  -19   40    3 o   9.0847   2.0581   74.769   42.947  120.160   64.039   37.668   57.896   10.768   2.9681   7.4013   2.8520 3.366791 4.116297 
1 1 1  -19   40    4 o   9.4603   2.5476   11.190   51.537 -17.9238   55.870  177.372  133.480   5.6976   2.5294   13.223   4.4229 -7.525566 5.095129 
1 1 1  -19   40    5 o   48.016   1.0216  2248.16   76.707  2242.27   85.949  2271.22  170.035   47.982   0.9228   48.050   1.8230 -0.6854630E-01 2.043212 
1 1 1  -19   40    6 o   28.191   1.4109  842.097   50.646  863.156   54.481  708.131  137.413   29.766   0.9429   26.617   2.6595 3.148718 2.821727 
1 1 1  -19   40    7 o   21.228   1.6475  412.265   40.058  404.167   41.984  494.529  133.812   20.355   1.0625   22.101   3.1190 -1.745703 3.295012 
1 1 1  -19   40    8 o   8.0493   2.5281 -23.8512   77.498   1.5068   96.202 -70.7279  130.800   7.9847   3.4353   8.1140   3.7101 -0.1292400 5.056295 
1 1 1  -19   40    9 o   44.946   1.2320  1992.26  107.139  2014.93  146.244  1966.01  157.405   45.251   1.6649   44.641   1.8164 0.6106033 2.464000 
1 1 1  -19   40   10 o   23.340   2.0634  561.381   91.802  631.703  124.666  478.073  135.689   25.078   2.5609   21.601   3.2360 3.477642 4.126711 
1 1 1  -19   40   11 o   21.893   2.5267  482.394  107.383  482.394  107.383   0.0000   0.0000   21.893   2.5267  ?   ?       ?      ? 
1 1 1  -19   40   12 o   11.576   4.0291  135.202  110.998  135.202  110.998   0.0000   0.0000   11.576   4.0291  ?   ?       ?      ? 
1 1 1  -19   40   13 o   9.1678   3.8434   32.093  115.199   32.093  115.199   0.0000   0.0000   9.1678   3.8434  ?   ?       ?      ? 
1 1 1  -19   40   14 f   36.328   1.6457  1304.36  116.057  1304.36  116.057   0.0000   0.0000   36.328   1.6457  ?   ?       ?      ? 
1 1 1  -19   40   15 o   24.928   2.5535  632.711  123.559  632.711  123.559   0.0000   0.0000   24.928   2.5535  ?   ?       ?      ? 
1 1 1  -19   40   16 o   9.1288   3.5430   67.010   89.844   67.010   89.844   0.0000   0.0000   9.1288   3.5430  ?   ?       ?      ? 
1 1 1  -19   40   17 o   7.7437   3.5093 -37.4622  113.777 -37.4622  113.777   0.0000   0.0000   7.7437   3.5093  ?   ?       ?      ? 
1 1 1  -19   40   18 o   10.049   3.9328   88.699  111.417   88.699  111.417   0.0000   0.0000   10.049   3.9328  ?   ?       ?      ? 
1 1 1  -19   40   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   41    1 o   13.555   1.8199  190.097   45.916  203.184   60.119  171.775   71.134   14.308   2.1646   12.802   2.9262 1.505408 3.639821 
1 1 1  -19   41    2 o   47.501   0.6690  2205.09   61.449  2277.68   84.151  2122.18   89.940   48.351   0.8966   46.651   0.9932 1.699715 1.338008 
1 1 1  -19   41    3 o   16.710   2.3142  331.400   53.899  352.673   59.079  225.795  131.633   18.948   1.6062   14.472   4.3408 4.476508 4.628413 
1 1 1  -19   41    4 o   42.169   1.0343  1767.59   75.844  1799.67   89.730  1687.34  141.933   42.944   1.0764   41.393   1.7664 1.550648 2.068522 
1 1 1  -19   41    5 o   22.640   1.6347  561.805   50.194  586.435   54.949  437.679  123.355   24.503   1.1553   20.777   3.0584 3.725342 3.269355 
1 1 1  -19   41    6 o   19.930   1.7739  427.213   45.137  437.835   48.937  366.677  116.824   21.166   1.1911   18.694   3.3419 2.471689 3.547835 
1 1 1  -19   41    7 o   19.618   1.4621  293.260   36.235  270.006   38.094  514.274  117.440   16.621   1.1807   22.614   2.6753 -5.993744 2.924222 
1 1 1  -19   41    8 o   36.591   1.2337  1328.40   86.813  1391.16  116.886  1251.18  129.647   37.606   1.6012   35.576   1.8773 2.030754 2.467417 
1 1 1  -19   41    9 o   9.1224   2.7386   20.254   84.504   9.7599  119.263   30.835  119.752   8.9151   3.8300   9.3297   3.9153 -0.4145479 5.477153 
1 1 1  -19   41   10 o   13.505   2.8284  193.862   86.205  293.334  120.214   88.564  123.685   16.382   3.8461   10.629   4.1481 5.752934 5.656837 
1 1 1  -19   41   11 o   14.232   3.6795  220.812  102.398  220.812  102.398   0.0000   0.0000   14.232   3.6795  ?   ?       ?      ? 
1 1 1  -19   41   12 o   16.969   3.5684  311.048  113.814  311.048  113.814   0.0000   0.0000   16.969   3.5684  ?   ?       ?      ? 
1 1 1  -19   41   13 o   10.165   3.9594   82.312  112.516   82.312  112.516   0.0000   0.0000   10.165   3.9594  ?   ?       ?      ? 
1 1 1  -19   41   14 o   10.162   3.7336   96.890   96.655   96.890   96.655   0.0000   0.0000   10.162   3.7336  ?   ?       ?      ? 
1 1 1  -19   41   15 o   17.193   3.6982  328.294  119.763  328.294  119.763   0.0000   0.0000   17.193   3.6982  ?   ?       ?      ? 
1 1 1  -19   41   16 o   12.255   4.0807  166.841  113.641  166.841  113.641   0.0000   0.0000   12.255   4.0807  ?   ?       ?      ? 
1 1 1  -19   41   17 o   11.230   4.0509  133.163  113.030  133.163  113.030   0.0000   0.0000   11.230   4.0509  ?   ?       ?      ? 
1 1 1  -19   41   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   41   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   42    1 o   27.190   0.8635  722.984   45.544  761.836   65.144  685.836   63.698   27.907   1.2025   26.472   1.2396 1.435011 1.726999 
1 1 1  -19   42    2 o   36.287   0.9457  1284.06   66.612  1284.06   66.612   0.0000   0.0000   36.287   0.9457  ?   ?       ?      ? 
1 1 1  -19   42    3 o   43.776   1.0782  1879.58   70.519  1877.84   77.948  1887.45  165.514   43.889   0.9149   43.663   1.9528 0.2262154 2.156495 
1 1 1  -19   42    4 o   32.016   1.3064  1008.46   57.400  1006.71   62.158  1018.63  149.598   32.122   0.9969   31.910   2.4151 0.2118931 2.612737 
1 1 1  -19   42    5 o   46.446   1.0389  2140.96   74.493  2156.49   83.338  2079.20  166.164   47.032   0.9128   45.860   1.8665 1.172050 2.077790 
1 1 1  -19   42    6 o   31.534   1.2321  957.802   53.718  947.980   58.135  1015.17  140.501   31.174   0.9607   31.895   2.2693 -0.7213879 2.464266 
1 1 1  -19   42    7 o   23.219   0.8452  525.390   38.097  525.390   38.097   0.0000   0.0000   23.219   0.8452  ?   ?       ?      ? 
1 1 1  -19   42    8 o   37.007   1.3306  1349.04   95.217  1266.51  127.985  1451.34  142.496   35.763   1.8436   38.252   1.9190 -2.488979 2.661103 
1 1 1  -19   42    9 o   22.063   2.0482  496.987   87.711  498.833  125.037  495.199  123.071   22.097   2.9150   22.030   2.8779 0.6668282E-01 4.096308 
1 1 1  -19   42   10 o   12.814   2.9061  171.401   83.787  231.699  122.212  117.922  115.094   14.466   4.1414   11.161   4.0782 3.305469 5.812294 
1 1 1  -19   42   11 o   8.4437   3.5597   21.511   99.714   21.511   99.714   0.0000   0.0000   8.4437   3.5597  ?   ?       ?      ? 
1 1 1  -19   42   12 o   11.236   4.1370  120.815  118.759  120.815  118.759   0.0000   0.0000   11.236   4.1370  ?   ?       ?      ? 
1 1 1  -19   42   13 o   13.562   4.0120  205.614  113.027  205.614  113.027   0.0000   0.0000   13.562   4.0120  ?   ?       ?      ? 
1 1 1  -19   42   14 o   15.788   3.8743  280.843  117.851  280.843  117.851   0.0000   0.0000   15.788   3.8743  ?   ?       ?      ? 
1 1 1  -19   42   15 o   8.4160   3.7060  -3.9339  117.570  -3.9339  117.570   0.0000   0.0000   8.4160   3.7060  ?   ?       ?      ? 
1 1 1  -19   42   16 o   13.052   4.2034  196.215  121.039  196.215  121.039   0.0000   0.0000   13.052   4.2034  ?   ?       ?      ? 
1 1 1  -19   42   17 o   25.335   2.1947  654.538  107.933  654.538  107.933   0.0000   0.0000   25.335   2.1947  ?   ?       ?      ? 
1 1 1  -19   42   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   43    1 o   28.912   1.4782  883.023   60.790  909.783   66.970  757.776  144.886   30.497   1.1312   27.327   2.7313 3.170824 2.956337 
1 1 1  -19   43    2 o   12.621   2.6557  122.518   54.130   96.895   58.595  271.685  141.378   9.6706   2.8951   15.571   4.4531 -5.900562 5.311493 
1 1 1  -19   43    3 o   37.351   0.9388  1361.20   68.066  1361.20   68.066   0.0000   0.0000   37.351   0.9388  ?   ?       ?      ? 
1 1 1  -19   43    4 o   19.558   2.1375  467.668   50.705  496.507   55.008  304.642  130.787   22.511   1.2588   16.605   4.0854 5.906008 4.274976 
1 1 1  -19   43    5 o   30.543   1.2019  922.983   54.051  923.997   59.555  918.242  128.737   30.762   0.9973   30.323   2.1871 0.4390736 2.403742 
1 1 1  -19   43    6 o   22.738   1.5815  523.980   45.259  526.289   48.351  507.637  128.635   23.204   1.0734   22.272   2.9753 0.9316101 3.162992 
1 1 1  -19   43    7 o   16.636   2.0804  250.842   27.198  247.338   27.773  332.928  134.416   15.924   0.8985   17.349   4.0627 -1.425710 4.160867 
1 1 1  -19   43    8 o   14.173   3.0079  220.271   88.557  208.274  116.492  236.696  136.307   13.770   4.0728   14.577   4.4273 -0.8064823 6.015730 
1 1 1  -19   43    9 o   13.071   2.9877  179.622   91.738  259.200  126.869   92.418  132.809   15.258   4.1662   10.885   4.2836 4.373021 5.975478 
1 1 1  -19   43   10 o   7.5022   2.4718 -102.8610   89.401 -45.2687  124.127 -164.9380  128.869   8.1231   3.6747   6.8812   3.3068 1.241924 4.943532 
1 1 1  -19   43   11 o   16.108   3.4224  281.069  103.713  281.069  103.713   0.0000   0.0000   16.108   3.4224  ?   ?       ?      ? 
1 1 1  -19   43   12 o   14.922   4.1221  252.547  123.357  252.547  123.357   0.0000   0.0000   14.922   4.1221  ?   ?       ?      ? 
1 1 1  -19   43   13 o   12.920   4.0412  187.007  112.574  187.007  112.574   0.0000   0.0000   12.920   4.0412  ?   ?       ?      ? 
1 1 1  -19   43   14 o   15.596   4.1747  281.845  128.891  281.845  128.891   0.0000   0.0000   15.596   4.1747  ?   ?       ?      ? 
1 1 1  -19   43   15 o   11.153   4.0011  130.584  110.116  130.584  110.116   0.0000   0.0000   11.153   4.0011  ?   ?       ?      ? 
1 1 1  -19   43   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   43   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   44    1 o   25.377   1.5259  699.807   58.395  740.578   65.898  550.709  126.018   27.492   1.2348   23.261   2.7909 4.231312 3.051848 
1 1 1  -19   44    2 o   19.803   1.7428  352.308   55.124  323.211   61.295  475.365  126.053   18.077   1.7467   21.529   3.0163 -3.451433 3.485527 
1 1 1  -19   44    3 o   36.119   1.1781  1292.69   60.587  1294.98   66.205  1280.86  150.297   36.428   0.9363   35.809   2.1622 0.6181755 2.356158 
1 1 1  -19   44    4 f   37.512   0.9121  1372.88   66.417  1372.88   66.417   0.0000   0.0000   37.512   0.9121  ?   ?       ?      ? 
1 1 1  -19   44    5 o   14.925   2.3291  301.530   46.647  324.146   49.512  122.841  139.168   18.163   1.4042   11.687   4.4416 6.476245 4.658273 
1 1 1  -19   44    6 o   15.613   2.2392  271.307   42.806  276.303   45.447  232.033  127.424   16.770   1.3960   14.456   4.2551 2.314241 4.478300 
1 1 1  -19   44    7 o   46.807   1.2140  2165.68  110.240  2181.59  158.880  2150.90  153.086   46.959   1.7429   46.654   1.6904 0.3053551 2.427995 
1 1 1  -19   44    8 o   8.3796   2.5992  -9.4213   81.405   9.8931  112.651 -30.5299  117.768   8.6371   3.7167   8.1221   3.6345 0.5149918 5.198469 
1 1 1  -19   44    9 o   10.276   2.6943   49.881   86.003 -108.5211  124.777  193.236  118.703   7.3082   3.4363   13.244   4.1509 -5.935889 5.388690 
1 1 1  -19   44   10 o   9.6798   2.7593   31.740   87.992  137.790  122.544 -81.1371  126.426   11.682   4.2173   7.6774   3.5594 4.004654 5.518604 
1 1 1  -19   44   11 o   7.9211   3.4907 -10.1557  104.510 -10.1557  104.510   0.0000   0.0000   7.9211   3.4907  ?   ?       ?      ? 
1 1 1  -19   44   12 o   9.3970   4.0066   31.522  128.750   31.522  128.750   0.0000   0.0000   9.3970   4.0066  ?   ?       ?      ? 
1 1 1  -19   44   13 o   18.472   3.3566  372.182  115.928  372.182  115.928   0.0000   0.0000   18.472   3.3566  ?   ?       ?      ? 
1 1 1  -19   44   14 o   17.058   4.2800  342.121  141.491  342.121  141.491   0.0000   0.0000   17.058   4.2800  ?   ?       ?      ? 
1 1 1  -19   44   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   44   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   44   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   45    1 o   23.225   1.7068  497.359   58.392  473.853   63.706  620.881  146.036   21.929   1.4966   24.520   3.0681 -2.590897 3.413644 
1 1 1  -19   45    2 o   30.925   1.4001  925.035   60.274  913.213   65.318  992.825  156.415   30.551   1.1014   31.300   2.5744 -0.7489052 2.800102 
1 1 1  -19   45    3 o   29.620   1.3159  911.564   55.991  933.433   61.701  809.558  133.258   30.904   1.0285   28.337   2.4226 2.567003 2.631860 
1 1 1  -19   45    4 o   10.346   2.5659   88.757   49.614   80.141   53.827  137.421  127.922   8.8731   2.7974   11.819   4.3024 -2.946089 5.131872 
1 1 1  -19   45    5 o   15.858   1.5919  248.233   49.004  248.233   49.004   0.0000   0.0000   15.858   1.5919  ?   ?       ?      ? 
1 1 1  -19   45    6 o   7.9430   2.3187   41.804   38.721   48.822   40.199 -48.3778  144.103   7.1634   2.4271   8.7226   3.9515 -1.559202 4.637312 
1 1 1  -19   45    7 o   25.410   1.9964  650.600   97.622  566.369  128.601  765.139  149.963   23.505   2.8185   27.315   2.8282 -3.810036 3.992800 
1 1 1  -19   45    8 o   25.427   1.7984  642.000   87.709  538.889  114.663  787.420  136.170   23.012   2.5668   27.841   2.5196 -4.828371 3.596814 
1 1 1  -19   45    9 o   8.5554   2.6725 -10.6360   87.145 -37.8777  132.799   9.9663  115.488   8.4505   3.8139   8.6604   3.7449 -0.2099323 5.345064 
1 1 1  -19   45   10 o   25.569   1.7399  644.717   83.942  755.646  139.618  581.920  105.048   27.141   2.6500   23.996   2.2552 3.144508 3.479734 
1 1 1  -19   45   11 o   28.880   2.2685  845.028  127.173  845.028  127.173   0.0000   0.0000   28.880   2.2685  ?   ?       ?      ? 
1 1 1  -19   45   12 o   13.041   4.5043  192.807  138.596  192.807  138.596   0.0000   0.0000   13.041   4.5043  ?   ?       ?      ? 
1 1 1  -19   45   13 o   16.360   3.7583  303.696  116.844  303.696  116.844   0.0000   0.0000   16.360   3.7583  ?   ?       ?      ? 
1 1 1  -19   45   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   45   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   45   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   46    1 o   13.311   2.4496  170.136   54.983  150.143   61.862  245.329  119.971   11.886   2.7377   14.736   4.0629 -2.849893 4.899187 
1 1 1  -19   46    2 o   17.554   2.0661  289.589   53.765  270.414   59.158  380.614  128.894   16.482   1.8490   18.625   3.6955 -2.142946 4.132236 
1 1 1  -19   46    3 o   21.242   2.0349  463.041   52.514  461.012   56.074  477.517  149.760   21.652   1.3341   20.832   3.8450 0.8193855 4.069882 
1 1 1  -19   46    4 o   14.894   2.3760  295.864   49.838  318.447   53.173  132.547  142.993   17.959   1.5253   11.829   4.5005 6.130431 4.751972 
1 1 1  -19   46    5 o   12.077   2.4745  149.164   46.666  148.842   49.719  151.545  135.256   11.992   2.2175   12.161   4.4245 -0.1688881 4.949038 
1 1 1  -19   46    6 o   4.8381   2.1346  -9.4752   39.193  -9.4752   39.193   0.0000   0.0000   4.8381   2.1346  ?   ?       ?      ? 
1 1 1  -19   46    7 o   35.962   1.4171  1284.80   98.440  1198.02  131.484  1395.48  148.492   34.616   1.9567   37.307   2.0505 -2.690628 2.834275 
1 1 1  -19   46    8 o   15.360   2.8209  243.663   88.433  133.406  112.884  418.828  142.283   11.375   4.0543   19.344   3.9233 -7.969383 5.641727 
1 1 1  -19   46    9 f   19.000   2.7896  405.501  101.306  478.417  142.410  330.798  144.144   21.155   3.4678   16.845   4.3706 4.310417 5.579263 
1 1 1  -19   46   10 o   22.729   2.2174  561.030   92.462  442.245  135.462  664.647  126.518   20.011   3.6204   25.446   2.5614 -5.434383 4.434880 
1 1 1  -19   46   11 o   9.7760   4.1097   50.980  132.307   50.980  132.307   0.0000   0.0000   9.7760   4.1097  ?   ?       ?      ? 
1 1 1  -19   46   12 o   31.477   2.5371  1021.68  155.023  1021.68  155.023   0.0000   0.0000   31.477   2.5371  ?   ?       ?      ? 
1 1 1  -19   46   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   46   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   46   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   47    1 o   46.036   1.0452  2117.74   77.114  2136.60   87.495  2052.09  163.216   46.737   0.9644   45.335   1.8547 1.402454 2.090409 
1 1 1  -19   47    2 o   38.565   1.1639  1505.85   68.776  1526.13   76.933  1425.13  153.469   39.490   1.0036   37.640   2.1004 1.849636 2.327880 
1 1 1  -19   47    3 f   27.058   1.4111  718.455   55.421  710.696   60.705  757.286  135.814   26.911   1.1621   27.205   2.5718 -0.2936325 2.822120 
1 1 1  -19   47    4 o   23.406   1.6912  612.146   51.651  636.208   56.125  479.026  132.012   25.468   1.1353   21.344   3.1861 4.123772 3.382358 
1 1 1  -19   47    5 o   10.961   2.2932  142.619   46.212  158.509   48.669  -2.8998  147.285   12.574   1.9939   9.3472   4.1303 3.226898 4.586422 
1 1 1  -19   47    6 o   11.054   2.6112   80.589   37.208   71.407   38.411  220.307  149.828   8.2677   2.3062   13.840   4.6857 -5.572026 5.222467 
1 1 1  -19   47    7 o   15.100   3.9842  260.279  118.480  260.279  118.480   0.0000   0.0000   15.100   3.9842  ?   ?       ?      ? 
1 1 1  -19   47    8 o   36.546   1.2398  1325.28   87.534  1271.24  117.280  1393.25  131.525   35.743   1.6903   37.349   1.8141 -1.606266 2.479527 
1 1 1  -19   47    9 o   17.878   2.8108  361.904   94.551  394.979  142.750  336.053  126.204   18.553   4.0751   17.204   3.8725 1.349308 5.621636 
1 1 1  -19   47   10 o   13.204   4.3706  201.717  130.433  201.717  130.433   0.0000   0.0000   13.204   4.3706  ?   ?       ?      ? 
1 1 1  -19   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   48    1 o   8.0331   2.2381   45.230   53.675   82.229   59.771 -108.8938  121.992   8.9575   2.9583   7.1087   3.3593 1.848763 4.476217 
1 1 1  -19   48    2 o   8.2697   2.4312   37.899   54.900   42.015   61.313   21.252  123.303   7.5221   2.9248   9.0174   3.8844 -1.495360 4.862395 
1 1 1  -19   48    3 o   14.845   2.4414  286.235   54.999  308.600   59.358  150.521  146.220   17.597   1.7377   12.093   4.5631 5.503158 4.882780 
1 1 1  -19   48    4 o   34.421   1.2703  1122.04   59.948  1097.62   64.627  1272.65  160.477   33.482   0.9944   35.361   2.3379 -1.879208 2.540580 
1 1 1  -19   48    5 o   20.261   1.7809  389.086   47.692  377.733   51.024  467.575  134.161   19.570   1.3431   20.951   3.2988 -1.381123 3.561715 
1 1 1  -19   48    6 o   16.345   2.2884  316.284   28.615  319.047   29.230  252.686  140.229   18.074   0.8331   14.617   4.5003 3.457102 4.576760 
1 1 1  -19   48    7 o   16.110   2.9666  322.459   95.762  380.600  118.896  215.091  161.571   18.611   3.4170   13.609   4.8504 5.002074 5.933141 
1 1 1  -19   48    8 o   14.065   3.1216  238.439   93.215  257.934  110.571  190.550  173.303   15.034   3.7898   13.096   4.9614 1.938236 6.243251 
1 1 1  -19   48    9 o   27.385   2.7563  782.563  146.520   0.0000   0.0000  782.563  146.520  ?   ?    27.385   2.7563      ?      ? 
1 1 1  -19   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   49    1 o   34.611   1.3748  1324.06   68.077  1394.45   75.677  1025.45  155.870   37.707   1.0339   31.515   2.5479 6.191532 2.749666 
1 1 1  -19   49    2 o   39.306   1.1289  1474.46   69.165  1433.74   77.025  1643.98  157.161   38.235   1.0378   40.376   2.0052 -2.141190 2.257818 
1 1 1  -19   49    3 o   25.249   1.3512  686.765   55.793  736.656   65.119  549.029  108.198   27.352   1.2264   23.146   2.4081 4.206264 2.702474 
1 1 1  -19   49    4 o   42.955   1.0832  1834.19   69.102  1835.92   76.335  1826.36  162.634   43.320   0.9078   42.591   1.9671 0.7293243 2.166471 
1 1 1  -19   49    5 o   15.121   2.5243  233.809   47.912  229.132   50.372  278.215  155.211   15.150   1.7128   15.093   4.7491 0.5734539E-01 5.048579 
1 1 1  -19   49    6 o   8.4634   2.3972   44.955   28.362   44.095   28.905   67.190  146.962   6.5974   2.0452   10.329   4.3363 -3.731822 4.794362 
1 1 1  -19   49    7 o   9.1028   3.7993   46.390  111.843   0.0000   0.0000   46.390  111.843  ?   ?    9.1028   3.7993      ?      ? 
1 1 1  -19   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   50    1 o   18.483   2.1163  347.743   75.930  347.743   75.930   0.0000   0.0000   18.483   2.1163  ?   ?       ?      ? 
1 1 1  -19   50    2 o   21.448   1.8835  463.451   78.420  463.451   78.420   0.0000   0.0000   21.448   1.8835  ?   ?       ?      ? 
1 1 1  -19   50    3 o   7.2952   3.0513   22.231   72.354   22.231   72.354   0.0000   0.0000   7.2952   3.0513  ?   ?       ?      ? 
1 1 1  -19   50    4 o   4.2257   2.0866 -128.9799   62.149 -128.9799   62.149   0.0000   0.0000   4.2257   2.0866  ?   ?       ?      ? 
1 1 1  -19   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   51    1 o   10.339   3.4492  117.993   81.177  117.993   81.177   0.0000   0.0000   10.339   3.4492  ?   ?       ?      ? 
1 1 1  -19   51    2 o   19.020   2.1292  370.182   78.615  370.182   78.615   0.0000   0.0000   19.020   2.1292  ?   ?       ?      ? 
1 1 1  -19   51    3 o   6.6965   2.9583  -7.5347   75.511  -7.5347   75.511   0.0000   0.0000   6.6965   2.9583  ?   ?       ?      ? 
1 1 1  -19   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -19   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18    0    1 o   23.055   1.2946  526.189   57.061  519.985   81.815  532.066   79.622   22.911   1.8682   23.199   1.7927 -0.000000 0.000000 
1 1 1  -18    0    2 o   44.961   0.8481  1967.06   73.417  1968.43   98.413  1965.34  110.245   44.985   1.1286   44.937   1.2661 -0.000000 0.000000 
1 1 1  -18    0    3 o   59.965   0.8890  3498.13  103.297  3656.31  145.923  3339.25  146.246   61.329   1.2268   58.601   1.2870 -0.000000 0.000000 
1 1 1  -18    0    4 o   46.611   5.7586  2317.20  473.032  2222.97  654.469  2420.26  684.477   45.515   8.1979   47.707   8.0894 -0.000000 0.000000 
1 1 1  -18    0    5 o  125.320   1.3948 15262.74  338.978 15054.87  471.656 15484.81  487.512  124.439   1.9536  126.201   1.9911 -0.000000 0.000000 
1 1 1  -18    0    6 o   99.586   1.2650  9641.61  244.330  9577.85  342.334  9707.81  348.828   99.251   1.7781   99.921   1.7997 -0.000000 0.000000 
1 1 1  -18    0    7 o   39.170   0.8693  1497.28   65.732  1538.84   90.144  1450.09   96.056   39.759   1.1703   38.580   1.2858 -0.000000 0.000000 
1 1 1  -18    0    8 o   43.797   0.8455  1856.74   71.527  1748.58   96.503  1988.59  106.551   42.388   1.1749   45.206   1.2162 -0.000000 0.000000 
1 1 1  -18    0    9 o   77.195   0.9962  5793.63  149.153  5864.27  210.286  5722.12  211.589   77.670   1.3958   76.720   1.4219 -0.000000 0.000000 
1 1 1  -18    0   10 f   92.835   1.1393  8376.20  205.092  8286.52  285.243  8472.19  295.095   92.322   1.5927   93.348   1.6296 -0.000000 0.000000 
1 1 1  -18    0   11 o   58.646   0.8802  3346.20  100.015  3396.93  139.232  3292.11  143.761   59.109   1.2146   58.183   1.2742 -0.000000 0.000000 
1 1 1  -18    0   12 o   70.238   0.9520  4788.55  129.481  4668.13  177.224  4926.43  189.633   69.294   1.3186   71.183   1.3735 -0.000000 0.000000 
1 1 1  -18    0   13 o  136.184   2.7348 17117.30  495.451 16754.28  530.769 19575.89  1381.30  131.237   2.0846  141.131   5.0567 -0.000000 0.000000 
1 1 1  -18    0   14 o  147.368   2.8455 20817.41  580.933 20633.53  629.255 21878.55  1511.66  145.620   2.2273  149.116   5.2370 -0.000000 0.000000 
1 1 1  -18    0   15 o   84.348   4.5511  8258.68  290.652  8384.74  298.582  5979.58  1269.54   92.850   1.6578   75.847   8.9500 -0.000000 0.000000 
1 1 1  -18    0   16 o   52.266   5.5914  3075.01  132.231  3083.53  133.663  2684.17  905.767   56.305   1.2242   48.227   11.116 -0.000000 0.000000 
1 1 1  -18    0   17 o   31.612   7.0355  1332.83   92.895  1335.28   93.321  1067.49  973.324   37.008   1.3027   26.216   14.010 -0.000000 0.000000 
1 1 1  -18    0   18 o   13.122   5.5144  156.962   76.886  161.552   77.120 -598.3180  989.265   11.264   3.9079   14.979   10.313 -0.000000 0.000000 
1 1 1  -18    0   19 o   68.348   6.5894  4874.46  188.338  4872.10  189.862  5019.35  1489.60   70.770   1.3832   65.926   13.106 -0.000000 0.000000 
1 1 1  -18    0   20 o   23.768   5.7117  954.746   89.298  963.969   89.494 -1144.7000  1350.26   31.388   1.4762   16.148   11.328 -0.000000 0.000000 
1 1 1  -18    0   21 o   34.212   7.5903  2021.94  116.396  2029.82  116.647  198.611  1775.41   45.640   1.3191   22.784   15.123 -0.000000 0.000000 
1 1 1  -18    0   22 o   13.906   5.2771  224.821   89.809  235.195   89.997 -2259.7070  1392.75   14.206   3.7771   13.607   9.8551 -0.000000 0.000000 
1 1 1  -18    0   23 o   39.951   1.3391  1558.06  103.582  1558.06  103.582   0.0000   0.0000   39.951   1.3391   39.951   1.3391 -0.000000 0.000000 
1 1 1  -18    0   24 o   29.844   1.5901  875.368   91.524  875.368   91.524   0.0000   0.0000   29.844   1.5901   29.844   1.5901 -0.000000 0.000000 
1 1 1  -18    0   25 o   13.074   3.9738  210.234   88.046  210.234   88.046   0.0000   0.0000   13.074   3.9738   13.074   3.9738 -0.000000 0.000000 
1 1 1  -18    0   26 o   4.3376   2.9166 -26.4576   69.891 -26.4576   69.891   0.0000   0.0000   4.3376   2.9166   4.3376   2.9166 -0.000000 0.000000 
1 1 1  -18    0   27 o   18.027   2.2391  334.358   75.099  334.358   75.099   0.0000   0.0000   18.027   2.2391   18.027   2.2391 -0.000000 0.000000 
1 1 1  -18    0   28 o   33.335   1.3745  1092.07   88.600  1092.07   88.600   0.0000   0.0000   33.335   1.3745   33.335   1.3745 -0.000000 0.000000 
1 1 1  -18    0   29 o   84.688   1.2293  7014.87  201.987  7014.87  201.987   0.0000   0.0000   84.688   1.2293   84.688   1.2293 -0.000000 0.000000 
1 1 1  -18    0   30 o   20.861   2.2286  448.200   87.651  448.200   87.651   0.0000   0.0000   20.861   2.2286   20.861   2.2286 -0.000000 0.000000 
1 1 1  -18    1    1 o   40.923   0.7581  1628.38   56.185  1620.61   99.185  1632.06   68.179   40.846   1.2509   40.999   0.8567 -0.1523819 1.516130 
1 1 1  -18    1    2 o   91.660   0.7915  8155.75  140.799  7986.83  196.500  8333.98  201.847   90.685   1.1162   92.635   1.1225 -1.949570 1.583033 
1 1 1  -18    1    3 o   70.565   0.6705  4834.83   91.842  4809.66  129.240  4860.52  130.538   70.379   0.9460   70.750   0.9505 -0.3709869 1.341011 
1 1 1  -18    1    4 o   63.578   0.6403  3922.81   78.999  3847.64  110.001  4002.87  113.525   62.950   0.9002   64.207   0.9108 -1.257034 1.280627 
1 1 1  -18    1    5 o  120.710   0.9639 14155.76  225.832 14417.32  319.866 13895.81  318.886  121.823   1.3526  119.598   1.3736 2.225311 1.927752 
1 1 1  -18    1    6 o  107.909   0.8980 11311.18  188.088 11298.88  267.184 11323.27  264.823  107.851   1.2762  107.968   1.2636 -0.1171799 1.795912 
1 1 1  -18    1    7 o   72.395   0.6759  5089.39   94.989  5062.69  134.285  5116.12  134.386   72.205   0.9581   72.586   0.9538 -0.3802185 1.351861 
1 1 1  -18    1    8 o   70.921   0.6705  4883.81   92.298  4831.81  129.749  4937.09  131.325   70.539   0.9476   71.303   0.9488 -0.7643356 1.340936 
1 1 1  -18    1    9 o   50.206   0.5963  2447.58   58.111  2439.29   82.512  2455.74   81.854   50.121   0.8481   50.290   0.8385 -0.1690254 1.192588 
1 1 1  -18    1   10 o   18.511   1.0510  334.248   37.528  290.441   52.937  378.511   53.211   17.285   1.5777   19.736   1.3889 -2.450830 2.101907 
1 1 1  -18    1   11 o   59.666   0.6217  3456.94   72.009  3455.61  101.768  3458.26  101.905   59.654   0.8788   59.677   0.8797 -0.2285767E-01 1.243458 
1 1 1  -18    1   12 o   71.677   0.6810  4988.99   94.744  4921.08  133.325  5058.27  134.662   71.184   0.9649   72.169   0.9612 -0.9855347 1.361954 
1 1 1  -18    1   13 o   70.562   0.9338  4837.10  127.895  4747.78  179.224  4929.77  182.565   69.898   1.3209   71.225   1.3204 -1.327087 1.867693 
1 1 1  -18    1   14 o   48.189   0.8519  2255.68   79.671  2315.35  113.613  2197.95  111.754   48.816   1.1990   47.562   1.2104 1.254131 1.703714 
1 1 1  -18    1   15 o  136.447   1.4345 18108.04  379.682 18700.63  549.921 17568.24  524.857  138.574   2.0443  134.320   2.0130 4.254288 2.869030 
1 1 1  -18    1   16 o   62.098   0.8939  3747.90  107.739  3779.11  153.668  3717.72  151.096   62.352   1.2696   61.845   1.2586 0.5077591 1.787719 
1 1 1  -18    1   17 o   78.940   1.0083  6059.38  154.492  6089.59  220.383  6030.19  216.636   79.133   1.4347   78.748   1.4172 0.3850861 2.016620 
1 1 1  -18    1   18 o   44.091   0.8698  1892.15   74.360  1805.10  105.820  1977.07  104.514   43.086   1.2652   45.097   1.1939 -2.010139 1.739582 
1 1 1  -18    1   19 o   29.265   1.0729  833.466   60.946  837.000   86.722  830.017   85.669   29.326   1.5234   29.204   1.5112 0.1219540 2.145759 
1 1 1  -18    1   20 o   33.813   1.0142  1113.18   66.539  1097.76   95.212  1127.89   93.026   33.583   1.4605   34.044   1.4077 -0.4612885 2.028476 
1 1 1  -18    1   21 o   30.057   1.1165  881.513   64.957  965.750   92.461  799.418   91.278   31.481   1.5130   28.632   1.6423 2.849167 2.232995 
1 1 1  -18    1   22 o   72.317   1.0180  5098.81  142.909  5058.44  202.038  5139.22  202.170   72.029   1.4450   72.605   1.4345 -0.5752640 2.036074 
1 1 1  -18    1   23 o   36.502   1.0339  1301.91   73.169  1371.39  103.241  1231.79  103.714   37.487   1.4187   35.516   1.5043 1.971016 2.067804 
1 1 1  -18    1   24 o   31.585   1.0925  973.642   66.650  1115.20   96.738  845.727   91.958   33.777   1.4754   29.394   1.6116 4.382689 2.185008 
1 1 1  -18    1   25 o   33.865   0.9626  1131.52   60.015  1091.17  101.656  1153.10   74.356   33.354   1.5701   34.377   1.1143 -1.022827 1.925296 
1 1 1  -18    1   26 o   23.120   1.1897  529.208   53.127  473.944   75.691  582.870   74.586   21.904   1.7802   24.336   1.5789 -2.432434 2.379465 
1 1 1  -18    1   27 o   22.975   1.1882  522.776   52.857  550.755   73.642  493.045   75.912   23.628   1.6056   22.322   1.7519 1.306461 2.376371 
1 1 1  -18    1   28 o   19.091   1.5135  366.404   56.067  352.810   78.270  380.731   80.353   18.724   2.1535   19.459   2.1273 -0.7351398 3.027008 
1 1 1  -18    1   29 o   18.353   1.7146  342.978   60.895  311.008   82.762  380.715   89.918   17.416   2.4480   19.289   2.4015 -1.872578 3.429257 
1 1 1  -18    1   30 o   17.134   1.8595  313.951   59.386  367.430   83.296  258.669   84.689   18.896   2.2708   15.372   2.9453 3.524016 3.719043 
1 1 1  -18    2    1 o   83.227   0.7488  6726.85  120.975  6684.14  171.293  6769.36  170.877   82.963   1.0636   83.490   1.0543 -0.5276108 1.497649 
1 1 1  -18    2    2 o  154.252   1.1451 23119.50  342.837 23414.38  489.134 22834.74  480.667  155.218   1.6234  153.286   1.6154 1.932373 2.290157 
1 1 1  -18    2    3 o   70.319   0.6774  4800.60   92.453  4725.10  129.742  4878.48  131.778   69.757   0.9581   70.881   0.9577 -1.123184 1.354727 
1 1 1  -18    2    4 o  102.053   0.8627 10115.96  170.901 10115.38  242.851 10116.54  240.547  102.050   1.2259  102.057   1.2142 -0.6546021E-02 1.725450 
1 1 1  -18    2    5 o   16.932   1.1460  279.351   37.525  251.886   53.139  306.672   52.999   16.098   1.7005   17.765   1.5369 -1.666941 2.292072 
1 1 1  -18    2    6 o   62.692   0.6346  3815.15   77.218  3738.76  108.216  3894.39  110.216   62.052   0.8984   63.331   0.8965 -1.278374 1.269208 
1 1 1  -18    2    7 o  139.088   1.0716 18800.90  289.304 19012.25  407.908 18586.98  410.379  139.876   1.5023  138.299   1.5286 1.576141 2.143262 
1 1 1  -18    2    8 o   72.534   0.6855  5109.25   96.514  5117.11  135.828  5101.24  137.165   72.591   0.9639   72.477   0.9749 0.1131210 1.371002 
1 1 1  -18    2    9 o   87.150   0.7625  7375.14  128.983  7276.54  180.583  7477.83  184.293   86.555   1.0748   87.744   1.0820 -1.188652 1.525074 
1 1 1  -18    2   10 o   83.489   0.7477  6769.70  121.170  6820.71  171.954  6719.38  170.773   83.801   1.0571   83.176   1.0577 0.6248474 1.495347 
1 1 1  -18    2   11 o   31.670   0.8212  992.232   48.129  1038.18   60.419  912.456   79.614   32.696   0.9519   30.644   1.3384 2.052050 1.642393 
1 1 1  -18    2   12 o  102.998   0.8774 10305.86  175.418 10387.14  250.066 10227.12  246.138  103.398   1.2459  102.599   1.2359 0.7987366 1.754876 
1 1 1  -18    2   13 o  125.565   1.3214 15337.85  322.054 15196.98  451.708 15483.49  459.293  124.980   1.8619  126.151   1.8756 -1.170410 2.642803 
1 1 1  -18    2   14 o   91.504   1.1005  8143.23  195.430  7943.56  276.923  8341.33  275.840   90.384   1.5784   92.624   1.5342 -2.240036 2.201098 
1 1 1  -18    2   15 o   31.771   0.9665  981.112   59.535  982.719   86.379  979.657   82.167   31.795   1.3996   31.747   1.3333 0.4724884E-01 1.932987 
1 1 1  -18    2   16 o   25.759   1.1701  650.867   57.962  597.914   85.855  695.215   78.570   24.783   1.7846   26.735   1.5140 -1.951654 2.340279 
1 1 1  -18    2   17 o   73.308   0.9838  5224.67  139.817  5243.42  203.122  5207.78  192.747   73.430   1.4250   73.186   1.3567 0.2433777 1.967578 
1 1 1  -18    2   18 o   61.753   0.9097  3708.87  109.021  3631.04  154.433  3786.19  153.926   61.106   1.3019   62.400   1.2708 -1.294624 1.819310 
1 1 1  -18    2   19 o   53.275   0.8856  2761.33   91.468  2726.44  132.232  2793.33  126.659   52.949   1.2865   53.600   1.2173 -0.6510544 1.771148 
1 1 1  -18    2   20 o   47.622   0.9143  2204.81   84.420  2233.06  122.684  2179.39  116.345   47.910   1.3192   47.335   1.2662 0.5749054 1.828504 
1 1 1  -18    2   21 o   42.503   0.9206  1759.27   75.671  1750.61  111.798  1766.59  102.796   42.401   1.3583   42.605   1.2429 -0.2041855 1.841151 
1 1 1  -18    2   22 o   17.544   1.9245  307.724   63.181  247.466   87.129  374.549   91.754   15.568   2.9919   19.520   2.4215 -3.952439 3.849008 
1 1 1  -18    2   23 o   9.2378   2.4623   56.279   61.158  101.108   92.719   21.753   81.370   10.536   3.6816   7.9392   3.2706 2.597098 4.924550 
1 1 1  -18    2   24 o   24.630   1.3763  595.080   65.573  608.269   97.292  584.102   88.763   24.868   2.0154   24.391   1.8747 0.4773521 2.752532 
1 1 1  -18    2   25 o   11.259   2.3567  131.133   53.902  127.017   89.914  133.443   67.345   11.212   3.6241   11.306   3.0137 -0.9393406E-01 4.713462 
1 1 1  -18    2   26 o   16.506   1.5906  271.852   50.947  281.348   72.840  262.758   71.284   16.791   2.2348   16.221   2.2639 0.5700188 3.181113 
1 1 1  -18    2   27 o   22.133   1.2284  484.727   52.763  491.970   74.170  477.306   75.074   22.306   1.7129   21.960   1.7611 0.3464622 2.456774 
1 1 1  -18    2   28 f   22.179   1.3255  490.751   56.996  523.810   81.339  458.859   79.891   22.928   1.8276   21.430   1.9205 1.497478 2.651071 
1 1 1  -18    2   29 o   50.439   0.8221  2501.10   80.473  2521.74  112.903  2479.79  114.732   50.658   1.1481   50.219   1.1769 0.4387398 1.644187 
1 1 1  -18    2   30 o   15.648   2.0749  275.753   60.151  177.285   86.991  365.966   83.265   12.441   3.4707   18.855   2.2750 -6.414006 4.149849 
1 1 1  -18    3    1 o  197.799   1.3210 38038.25  507.192 37802.93  714.969 38276.64  719.610  197.183   1.8679  198.414   1.8684 -1.231506 2.641927 
1 1 1  -18    3    2 o  166.002   1.1829 26782.76  381.183 26711.52  537.654 26854.75  540.506  165.781   1.6707  166.224   1.6751 -0.4432678 2.365858 
1 1 1  -18    3    3 o   24.523   0.8368  584.503   39.714  643.256   56.662  527.767   55.680   25.736   1.1342   23.310   1.2305 2.425787 1.673500 
1 1 1  -18    3    4 o   88.558   0.7780  7616.26  133.736  7596.05  188.533  7636.73  189.736   88.440   1.0982   88.676   1.1022 -0.2363052 1.555939 
1 1 1  -18    3    5 o   53.634   0.5996  2792.75   62.416  2864.40   88.698  2722.46   87.848   54.315   0.8412   52.952   0.8546 1.363167 1.199211 
1 1 1  -18    3    6 o   64.835   0.6441  4080.74   81.057  4014.49  113.669  4149.28  115.620   64.299   0.9107   65.370   0.9112 -1.070503 1.288236 
1 1 1  -18    3    7 o   23.533   1.0399  536.032   44.244  532.411   53.489  543.879   78.730   23.412   1.1769   23.653   1.7147 -0.2410526 2.079725 
1 1 1  -18    3    8 o   72.012   0.6824  5035.95   95.384  5043.10  134.464  5028.71  135.328   72.064   0.9612   71.960   0.9688 0.1032181 1.364733 
1 1 1  -18    3    9 o  116.762   0.9534 13246.78  216.093 13200.21  305.222 13293.59  305.982  116.556   1.3490  116.968   1.3476 -0.4116974 1.906804 
1 1 1  -18    3   10 o   55.159   0.6090  2954.02   65.203  2927.31   91.561  2981.51   92.875   54.906   0.8591   55.412   0.8634 -0.5057869 1.217999 
1 1 1  -18    3   11 o   93.208   0.8042  8438.77  145.512  8383.28  205.058  8495.06  206.521   92.900   1.1371   93.517   1.1377 -0.6172943 1.608491 
1 1 1  -18    3   12 o   62.553   0.6376  3799.97   77.415  3774.95  109.661  3824.82  109.303   62.348   0.9061   62.759   0.8972 -0.4107590 1.275131 
1 1 1  -18    3   13 o   80.586   1.0113  6311.20  158.192  6226.42  222.267  6398.23  225.196   80.037   1.4306   81.134   1.4299 -1.096802 2.022640 
1 1 1  -18    3   14 f  104.778   1.1852 10676.87  241.052 10533.64  339.260 10822.89  342.563  104.068   1.6794  105.488   1.6729 -1.420021 2.370438 
1 1 1  -18    3   15 o   32.812   0.9414  1041.18   59.649  1096.07   89.888  997.984   79.735   33.579   1.3790   32.045   1.2818 1.534267 1.882756 
1 1 1  -18    3   16 o   90.475   1.0971  7962.73  192.684  7946.61  271.884  7978.98  273.113   90.383   1.5496   90.567   1.5535 -0.1834030 2.194246 
1 1 1  -18    3   17 o   60.308   0.8955  3533.68  104.722  3573.87  151.972  3497.34  144.508   60.633   1.2912   59.984   1.2411 0.6491165 1.790932 
1 1 1  -18    3   18 o   38.419   0.9305  1429.49   68.937  1485.09  104.481  1386.62   91.741   39.074   1.3775   37.764   1.2515 1.310535 1.861064 
1 1 1  -18    3   19 o   21.337   1.4889  453.832   60.284  381.289   90.451  511.811   80.863   19.755   2.3586   22.919   1.8176 -3.163328 2.977715 
1 1 1  -18    3   20 o   49.052   0.9162  2338.76   86.923  2362.17  128.842  2319.20  117.759   49.272   1.3471   48.831   1.2423 0.4412842 1.832468 
1 1 1  -18    3   21 o   35.248   1.0051  1197.45   68.252  1312.09  104.598  1112.44   90.069   36.698   1.4683   33.799   1.3728 2.898949 2.010121 
1 1 1  -18    3   22 o   45.460   0.9311  2009.54   81.872  2057.63  121.617  1969.68  110.717   45.950   1.3635   44.969   1.2683 0.9804459 1.862183 
1 1 1  -18    3   23 o   23.486   1.3874  541.188   63.123  497.623   88.584  586.126   89.969   22.517   2.0267   24.454   1.8953 -1.937462 2.774806 
1 1 1  -18    3   24 o   36.424   1.0547  1300.73   74.185  1257.89  109.611  1336.95  100.772   35.853   1.5749   36.994   1.4033 -1.140579 2.109403 
1 1 1  -18    3   25 o   34.271   0.9800  1142.68   63.056  1176.18  103.903  1123.14   79.335   34.631   1.5456   33.910   1.2052 0.7212410 1.959963 
1 1 1  -18    3   26 o   35.722   0.9556  1254.66   64.689  1235.86  102.895  1266.95   83.184   35.459   1.4949   35.985   1.1908 -0.5259247 1.911213 
1 1 1  -18    3   27 o   7.9291   2.1565   26.805   51.780   94.219   74.091 -37.5559   72.394   9.7406   3.2950   6.1177   2.7828 3.622925 4.312926 
1 1 1  -18    3   28 o   31.361   1.0184  975.004   61.688  900.183   89.330  1043.21   85.289   30.174   1.5251   32.548   1.3499 -2.373354 2.036715 
1 1 1  -18    3   29 o   17.429   1.8742  317.469   60.770  396.820   88.600  246.976   83.508   19.726   2.3139   15.132   2.9489 4.593363 3.748326 
1 1 1  -18    3   30 o   14.365   2.3058  230.957   63.092  278.616   92.190  188.969   86.530   15.867   3.1044   12.863   3.4102 3.003751 4.611546 
1 1 1  -18    4    1 o  175.528   1.2384 29948.27  421.957 30289.81  598.931 29611.69  594.568  176.522   1.7479  174.534   1.7549 1.988235 2.476861 
1 1 1  -18    4    2 o   91.692   0.7988  8165.05  142.173  8232.97  201.705  8097.99  200.426   92.071   1.1286   91.313   1.1307 0.7579651 1.597560 
1 1 1  -18    4    3 o   25.834   0.7892  648.737   39.527  661.392   54.864  635.078   56.997   26.097   1.0830   25.571   1.1482 0.5253258 1.578411 
1 1 1  -18    4    4 o   20.685   0.9405  414.628   37.664  428.996   55.703  402.526   51.121   21.014   1.3655   20.356   1.2937 0.6576595 1.881052 
1 1 1  -18    4    5 o   35.546   0.6389  1225.99   44.066  1265.50   63.287  1188.81   61.394   36.101   0.9031   34.991   0.9039 1.110893 1.277710 
1 1 1  -18    4    6 o   48.702   0.5938  2303.24   56.123  2312.87   78.451  2293.14   80.323   48.807   0.8280   48.598   0.8515 0.2091103 1.187693 
1 1 1  -18    4    7 o   85.153   0.7599  7039.54  125.587  6920.16  175.350  7165.27  179.954   84.412   1.0701   85.894   1.0793 -1.481422 1.519872 
1 1 1  -18    4    8 o  134.251   1.0484 17515.30  273.198 17341.33  385.612 17690.63  387.113  133.581   1.4871  134.921   1.4781 -1.339676 2.096703 
1 1 1  -18    4    9 o  101.326   0.8552  9973.82  168.205  9968.91  238.076  9978.71  237.679  101.301   1.2107  101.351   1.2081 -0.4997253E-01 1.710342 
1 1 1  -18    4   10 o   77.305   0.7165  5804.00  107.515  5814.78  151.279  5792.99  152.829   77.377   1.0072   77.232   1.0194 0.1457138 1.433026 
1 1 1  -18    4   11 o   91.628   0.7953  8155.28  141.451  8173.15  199.770  8137.32  200.315   91.729   1.1219   91.527   1.1275 0.2016144 1.590548 
1 1 1  -18    4   12 o  155.538   1.1505 23520.79  347.337 23563.22  494.701 23479.54  487.789  155.675   1.6370  155.401   1.6170 0.2733612 2.301007 
1 1 1  -18    4   13 f   85.462   1.0494  7100.08  174.087  7028.90  246.312  7171.13  246.081   85.033   1.4922   85.891   1.4759 -0.8574677 2.098833 
1 1 1  -18    4   14 o   58.627   0.8704  3341.71   98.994  3254.50  141.135  3426.15  138.888   57.872   1.2563   59.381   1.2049 -1.509319 1.740725 
1 1 1  -18    4   15 o   23.784   1.1881  546.698   54.655  613.252   80.873  490.746   74.153   25.108   1.6593   22.459   1.7009 2.648701 2.376170 
1 1 1  -18    4   16 o   45.786   0.8768  2041.45   77.678  1983.54  113.538  2092.41  106.505   45.171   1.2948   46.400   1.1825 -1.229099 1.753506 
1 1 1  -18    4   17 o   65.322   0.9249  4147.59  117.211  3961.77  164.516  4339.13  167.034   63.835   1.3277   66.809   1.2880 -2.974316 1.849739 
1 1 1  -18    4   18 o   21.919   1.3673  467.580   57.443  472.541   88.767  464.005   75.346   22.011   2.0775   21.826   1.7784 0.1855774 2.734699 
1 1 1  -18    4   19 o   43.750   0.9155  1859.79   77.382  1878.34  115.422  1844.64  104.291   43.944   1.3531   43.556   1.2335 0.3880310 1.830949 
1 1 1  -18    4   20 o   20.610   1.5476  423.710   60.608  347.370   89.448  488.506   82.408   18.841   2.4457   22.379   1.8969 -3.538361 3.095129 
1 1 1  -18    4   21 o   43.177   0.9313  1818.03   77.896  1757.10  112.633  1873.89  107.846   42.477   1.3660   43.876   1.2662 -1.399246 1.862587 
1 1 1  -18    4   22 o   24.100   1.3659  584.697   62.051  458.449   92.061  689.802   83.999   21.619   2.1937   26.581   1.6279 -4.962570 2.731756 
1 1 1  -18    4   23 o   47.814   0.9367  2230.19   86.907  2208.46  124.236  2251.01  121.617   47.582   1.3451   48.046   1.3040 -0.4634819 1.873384 
1 1 1  -18    4   24 f   52.238   0.8380  2673.87   80.118  2621.91  137.995  2700.29   98.402   51.812   1.3720   52.665   0.9625 -0.8521805 1.675994 
1 1 1  -18    4   25 o   53.795   0.8461  2856.54   84.474  2721.22  140.185  2933.69  105.851   52.732   1.3695   54.858   0.9940 -2.126743 1.692219 
1 1 1  -18    4   26 o   14.789   2.0182  213.027   55.788  306.656   91.001  156.649   70.615   17.416   2.6917   12.162   3.0079 5.254496 4.036428 
1 1 1  -18    4   27 f   43.715   0.7959  1869.95   67.376  1870.07   98.782  1869.84   92.134   43.704   1.1644   43.726   1.0855 -0.2205658E-01 1.591839 
1 1 1  -18    4   28 o   42.926   0.8268  1809.39   68.820  1709.45   97.237  1909.69   97.417   41.725   1.2005   44.127   1.1373 -2.402153 1.653664 
1 1 1  -18    4   29 o   9.5652   2.2995   80.190   58.214  -3.8080   83.926  158.078   80.816   7.1935   3.1502   11.937   3.3506 -4.743409 4.598976 
1 1 1  -18    4   30 o   19.338   1.6816  387.022   63.097  395.799   90.955  378.881   87.605   19.539   2.3980   19.137   2.3582 0.4020500 3.363285 
1 1 1  -18    5    1 o  104.742   0.8823 10651.45  179.293 10805.84  258.507 10508.33  248.883  105.472   1.2626  104.012   1.2327 1.460098 1.764561 
1 1 1  -18    5    2 o  105.202   0.8754 10747.66  178.747 10622.52  250.073 10878.38  255.591  104.576   1.2319  105.827   1.2442 -1.251167 1.750865 
1 1 1  -18    5    3 o   36.400   0.6362  1286.44   44.950  1275.05   63.315  1298.01   63.827   36.238   0.9001   36.562   0.8993 -0.3247528 1.272358 
1 1 1  -18    5    4 o   29.377   0.7056  838.378   40.214  849.842   56.152  826.308   57.618   29.583   0.9778   29.170   1.0175 0.4130554 1.411194 
1 1 1  -18    5    5 o   67.369   0.6567  4406.61   85.882  4361.08  120.819  4453.11  122.104   67.017   0.9287   67.720   0.9288 -0.7033997 1.313495 
1 1 1  -18    5    6 o   59.840   0.7692  3449.14   83.410  3399.37  100.848  3556.89  148.396   59.169   0.8780   60.512   1.2633 -1.342468 1.538491 
1 1 1  -18    5    7 o  111.036   0.9135 11976.72  196.891 12072.67  279.809 11882.62  277.102  111.477   1.2930  110.596   1.2907 0.8807526 1.827002 
1 1 1  -18    5    8 o   54.196   0.6077  2851.85   63.912  2843.93   89.171  2860.22   91.651   54.119   0.8488   54.273   0.8699 -0.1541519 1.215430 
1 1 1  -18    5    9 o  107.620   0.8904 11252.35  186.010 11300.15  262.799 11204.35  263.318  107.849   1.2553  107.390   1.2631 0.4587631 1.780801 
1 1 1  -18    5   10 o  131.306   1.0363 16756.22  264.149 16665.61  373.288 16847.10  373.838  130.950   1.4685  131.662   1.4627 -0.7117920 2.072683 
1 1 1  -18    5   11 o  190.654   1.3333 35359.05  493.426 35306.33  697.927 35411.73  697.692  190.511   1.8872  190.796   1.8838 -0.2849274 2.666506 
1 1 1  -18    5   12 o  123.799   1.0085 14895.72  242.355 14789.47  342.995 15001.66  342.488  123.357   1.4324  124.240   1.4201 -0.8832092 2.017025 
1 1 1  -18    5   13 f   56.584   0.8450  3098.06   92.429  3242.54  138.329  2981.52  124.233   57.769   1.2335   55.398   1.1552 2.370331 1.690039 
1 1 1  -18    5   14 o  127.781   1.3575 15891.71  336.729 15820.05  475.937 15963.52  476.477  127.492   1.9231  128.070   1.9166 -0.5779724 2.715083 
1 1 1  -18    5   15 o   41.309   0.8903  1667.22   70.981  1551.90  103.793  1768.54   97.287   39.957   1.3382   42.662   1.1748 -2.705078 1.780666 
1 1 1  -18    5   16 o  130.068   1.3680 16477.46  345.367 16222.57  487.225 16734.87  489.628  129.055   1.9449  131.081   1.9242 -2.026779 2.735914 
1 1 1  -18    5   17 o   80.377   1.0389  6284.02  162.064  6271.44  231.310  6296.15  227.133   80.296   1.4840   80.458   1.4543 -0.1614990 2.077775 
1 1 1  -18    5   18 o   23.013   1.3685  521.363   59.772  489.664   93.423  543.331   77.772   22.403   2.1482   23.622   1.6961 -1.218727 2.737067 
1 1 1  -18    5   19 f   67.590   0.9725  4448.94  127.444  4237.75  181.255  4655.43  179.228   65.997   1.4148   69.183   1.3346 -3.185173 1.944938 
1 1 1  -18    5   20 f   32.433   1.0412  1006.94   64.747  1131.92  101.663  921.650   83.981   34.094   1.5361   30.773   1.4059 3.321081 2.082330 
1 1 1  -18    5   21 o   19.646   1.6397  387.965   60.895  305.016   89.571  459.252   83.036   17.617   2.6192   21.675   1.9735 -4.058184 3.279432 
1 1 1  -18    5   22 o   35.103   1.0374  1196.91   70.410  1253.28  105.244  1151.23   94.733   35.842   1.5126   34.363   1.4202 1.479881 2.074858 
1 1 1  -18    5   23 o   27.689   1.2271  752.153   65.758  688.169   93.284  815.355   92.711   26.506   1.8130   28.873   1.6541 -2.367693 2.454236 
1 1 1  -18    5   24 o   38.072   0.9119  1400.69   64.650  1464.03  109.016  1366.33   80.292   38.701   1.4511   37.443   1.1047 1.258102 1.823750 
1 1 1  -18    5   25 o   21.765   1.3777  466.967   55.129  469.663   94.572  465.580   67.849   21.754   2.2396   21.776   1.6051 -0.2238274E-01 2.755362 
1 1 1  -18    5   26 o   58.806   0.8696  3391.64   94.666  3367.12  159.672  3404.93  117.554   58.564   1.4045   59.048   1.0256 -0.4848442 1.739121 
1 1 1  -18    5   27 o   40.274   0.8110  1587.62   63.396  1576.21   89.015  1599.35   90.310   40.128   1.1427   40.419   1.1510 -0.2910004 1.621935 
1 1 1  -18    5   28 o   19.953   1.4512  400.806   55.805  344.648   78.384  458.528   79.468   18.488   2.1841   21.419   1.9113 -2.930870 2.902345 
1 1 1  -18    5   29 o   9.8354   2.0840   79.663   56.272 -55.9004   82.444  197.905   76.997   6.1978   2.8737   13.473   3.0189 -7.275292 4.167941 
1 1 1  -18    5   30 o   28.895   1.1706  842.836   65.148  758.962   94.708  918.175   89.759   27.451   1.7773   30.339   1.5241 -2.888536 2.341290 
1 1 1  -18    6    1 o   77.402   0.7227  5816.95  108.579  5887.88  154.905  5748.43  152.239   77.865   1.0248   76.938   1.0193 0.9274063 1.445457 
1 1 1  -18    6    2 o  129.628   1.0004 16325.54  251.736 16416.90  356.732 16234.92  355.289  129.990   1.4137  129.267   1.4159 0.7226410 2.000846 
1 1 1  -18    6    3 o   63.044   0.6348  3859.87   77.677  3928.02  109.606  3791.10  110.100   63.604   0.8877   62.485   0.9077 1.118900 1.269651 
1 1 1  -18    6    4 o   10.400   1.7846  109.902   35.865  127.303   50.301   91.909   51.150   11.225   2.3822   9.5748   2.6579 1.650258 3.569205 
1 1 1  -18    6    5 o   34.827   0.6586  1178.52   44.497  1221.33   62.670  1135.00   63.189   35.465   0.9103   34.189   0.9521 1.276974 1.317279 
1 1 1  -18    6    6 o   90.325   0.7867  7923.89  137.941  7961.39  195.327  7886.58  194.831   90.539   1.1114   90.112   1.1138 0.4264603 1.573446 
1 1 1  -18    6    7 o   30.345   0.7151  893.880   42.109  926.556   60.152  862.479   58.968   30.888   1.0032   29.801   1.0193 1.087475 1.430209 
1 1 1  -18    6    8 o   83.745   0.7452  6808.10  121.105  6981.09  173.541  6643.89  169.081   84.781   1.0545   82.708   1.0531 2.072845 1.490302 
1 1 1  -18    6    9 o  130.984   1.0434 16673.37  265.286 16829.95  376.575 16519.11  373.783  131.594   1.4742  130.373   1.4770 1.221222 2.086765 
1 1 1  -18    6   10 o   61.843   0.7492  3672.93   86.031  3576.04  106.394  3855.93  146.224   60.684   0.9032   63.002   1.1956 -2.318211 1.498426 
1 1 1  -18    6   11 o   99.953   0.8460  9705.58  164.145  9727.87  232.144  9683.30  232.129  100.068   1.1951   99.838   1.1978 0.2297440 1.691994 
1 1 1  -18    6   12 o   79.696   0.7302  6169.16  112.965  6126.67  159.815  6211.60  159.699   79.422   1.0366   79.971   1.0287 -0.5490417 1.460432 
1 1 1  -18    6   13 o   96.742   1.1402  9095.88  214.063  8822.98  299.144  9382.26  306.449   95.255   1.6178   98.229   1.6071 -2.973877 2.280400 
1 1 1  -18    6   14 o   23.953   1.2057  570.111   54.479  499.045   84.632  620.394   71.189   22.643   1.9254   25.262   1.4517 -2.618696 2.411387 
1 1 1  -18    6   15 o   65.384   0.9205  4148.50  116.517  4243.49  172.001  4067.93  158.398   66.071   1.3411   64.696   1.2613 1.375481 1.841000 
1 1 1  -18    6   16 o   56.679   0.8720  3126.74   95.641  3065.19  140.192  3180.33  130.809   56.153   1.2861   57.205   1.1780 -1.052120 1.744053 
1 1 1  -18    6   17 o   47.701   0.8879  2223.45   81.630  2099.93  120.877  2327.01  110.680   46.472   1.3399   48.931   1.1653 -2.458969 1.775747 
1 1 1  -18    6   18 o   34.467   0.9802  1161.35   64.493  1121.99   99.874  1189.51   84.465   33.956   1.5152   34.978   1.2440 -1.021271 1.960437 
1 1 1  -18    6   19 o   35.967   0.9934  1261.51   67.996  1243.42  106.913  1273.80   88.112   35.741   1.5410   36.192   1.2542 -0.4515266 1.986850 
1 1 1  -18    6   20 o   66.642   0.9670  4313.29  124.759  4434.87  184.307  4210.47  169.493   67.502   1.4066   65.782   1.3273 1.719902 1.933979 
1 1 1  -18    6   21 o   30.824   1.1144  949.676   64.921  792.074   98.385  1071.23   86.402   28.483   1.7794   33.166   1.3420 -4.683157 2.228780 
1 1 1  -18    6   22 o   43.674   0.9410  1862.95   79.131  1824.33  119.097  1893.47  105.882   43.256   1.4184   44.092   1.2371 -0.8360329 1.882067 
1 1 1  -18    6   23 o   32.146   1.0868  1004.29   67.506  1064.63  101.451  956.342   90.431   33.002   1.5836   31.291   1.4888 1.710421 2.173564 
1 1 1  -18    6   24 o   15.541   1.8426  247.525   51.945  228.926   84.653  258.758   65.787   14.874   3.0346   16.207   2.0911 -1.332909 3.685298 
1 1 1  -18    6   25 o   64.660   0.8768  4139.22  104.692  3910.31  175.205  4266.34  130.564   63.177   1.4286   66.143   1.0169 -2.965347 1.753590 
1 1 1  -18    6   26 o   26.795   1.1970  697.818   59.882  748.268  100.868  670.361   74.414   27.476   1.8912   26.115   1.4679 1.361771 2.394021 
1 1 1  -18    6   27 o   25.302   1.0726  633.047   52.481  679.382   73.168  583.948   75.319   26.279   1.4343   24.325   1.5951 1.954107 2.145139 
1 1 1  -18    6   28 o   15.579   1.8023  247.720   54.449  258.538   79.147  238.000   75.024   15.896   2.5650   15.261   2.5325 0.6345701 3.604508 
1 1 1  -18    6   29 o   8.6945   2.3555   63.955   55.918   49.460   82.038   76.534   76.422   8.3682   3.3431   9.0207   3.3191 -0.6525021 4.710916 
1 1 1  -18    6   30 o   8.6029   2.4292   57.844   61.174   54.659   89.913   60.590   83.472   8.6069   3.4781   8.5990   3.3921 0.7835388E-02 4.858394 
1 1 1  -18    7    1 o  142.657   1.0479 19803.02  289.650 20316.75  400.819 19241.52  419.044  144.602   1.4279  140.712   1.5341 3.890152 2.095846 
1 1 1  -18    7    2 o   58.589   0.6297  3332.14   71.589  3453.32  102.126  3215.06  100.382   59.637   0.8822   57.542   0.8987 2.094536 1.259310 
1 1 1  -18    7    3 o   39.530   0.6298  1516.71   48.246  1507.84   66.267  1526.72   70.381   39.407   0.8663   39.652   0.9144 -0.2450447 1.259558 
1 1 1  -18    7    4 o   44.719   0.6027  1938.49   52.269  1870.89   72.008  2013.78   75.990   43.896   0.8451   45.541   0.8596 -1.645218 1.205410 
1 1 1  -18    7    5 o   29.751   0.7191  857.873   41.449  786.912   57.372  935.349   59.948   28.466   1.0383   31.035   0.9951 -2.569590 1.438123 
1 1 1  -18    7    6 o  106.940   0.8844 11106.20  183.541 11240.34  263.229 10979.28  256.052  107.568   1.2606  106.313   1.2407 1.255043 1.768783 
1 1 1  -18    7    7 o   96.613   0.8249  9066.78  154.696  9005.39  218.673  9128.28  218.873   96.286   1.1700   96.941   1.1631 -0.6551895 1.649730 
1 1 1  -18    7    8 o  104.718   0.8807 10652.57  179.018 10579.81  251.833 10726.91  254.529  104.356   1.2432  105.079   1.2478 -0.7226181 1.761403 
1 1 1  -18    7    9 o  101.956   0.8653 10098.47  171.260 10098.47  241.674 10098.46  242.727  101.956   1.2211  101.956   1.2264 0.4653931E-03 1.730669 
1 1 1  -18    7   10 o  144.593   1.1230 20320.30  315.074 20449.81  452.513 20198.44  438.959  145.037   1.6073  144.148   1.5687 0.8886871 2.245935 
1 1 1  -18    7   11 o   85.707   0.7653  7134.59  127.317  7054.62  179.383  7215.76  180.731   85.223   1.0843   86.191   1.0802 -0.9680862 1.530557 
1 1 1  -18    7   12 o   75.485   0.7053  5530.88  103.322  5669.05  148.351  5400.73  143.986   76.400   1.0003   74.570   0.9947 1.829597 1.410688 
1 1 1  -18    7   13 o   36.348   0.8481  1287.25   59.658  1223.12   86.432  1345.60   82.448   35.479   1.2550   37.217   1.1412 -1.737698 1.696298 
1 1 1  -18    7   14 o   49.122   0.8569  2318.44   80.798  2514.23  125.833  2181.09  105.396   50.864   1.2744   47.381   1.1459 3.483826 1.713870 
1 1 1  -18    7   15 o  122.663   1.3246 14648.18  315.398 14624.44  444.805 14672.18  447.285  122.564   1.8696  122.762   1.8770 -0.1984100 2.649199 
1 1 1  -18    7   16 o   66.086   0.9290  4247.98  119.020  4195.94  172.141  4295.64  164.742   65.695   1.3499   66.476   1.2766 -0.7818222 1.857947 
1 1 1  -18    7   17 o   62.372   0.9130  3783.25  110.464  3757.07  158.802  3807.79  153.760   62.160   1.3161   62.583   1.2657 -0.4224663 1.825911 
1 1 1  -18    7   18 o   48.319   0.8694  2270.22   81.471  2260.90  117.628  2278.81  112.949   48.222   1.2566   48.416   1.2018 -0.1942673 1.738798 
1 1 1  -18    7   19 f   73.797   1.0138  5295.19  145.068  5379.90  210.990  5219.25  199.781   74.353   1.4618   73.241   1.4052 1.111282 2.027688 
1 1 1  -18    7   20 o   35.902   0.9867  1261.63   67.930  1205.76  103.199  1304.34   90.236   35.188   1.5108   36.616   1.2695 -1.428055 1.973393 
1 1 1  -18    7   21 o   45.549   0.9513  2030.89   82.542  1965.52  128.746  2076.51  107.554   44.907   1.4769   46.190   1.1995 -1.283310 1.902667 
1 1 1  -18    7   22 o   53.314   0.9274  2774.47   95.343  2727.58  142.641  2812.34  128.186   52.894   1.3892   53.735   1.2289 -0.8415604 1.854767 
1 1 1  -18    7   23 o   43.900   0.8446  1888.04   67.219  1850.61  117.937  1906.05   81.807   43.543   1.3953   44.257   0.9522 -0.7138138 1.689272 
1 1 1  -18    7   24 o   20.577   1.4848  473.533   51.421  277.418   85.696  583.869   64.279   16.705   2.6428   24.449   1.3544 -7.744158 2.969599 
1 1 1  -18    7   25 o   34.502   0.9596  1146.79   61.426  1228.19  104.975  1104.41   75.748   35.379   1.5285   33.626   1.1605 1.752651 1.919141 
1 1 1  -18    7   26 o   9.3028   2.4018   71.666   54.476  102.888   92.176   54.907   67.533   10.356   3.6665   8.2492   3.1035 2.107187 4.803665 
1 1 1  -18    7   27 o   33.449   0.9858  1090.68   62.367  1141.74  101.183  1059.39   79.201   34.030   1.5317   32.868   1.2414 1.162498 1.971576 
1 1 1  -18    7   28 o   10.919   2.2685  129.013   52.657   92.375   76.546  161.926   72.550   9.6175   3.3460   12.220   3.0641 -2.602373 4.537016 
1 1 1  -18    7   29 o   24.047   1.2475  578.555   58.208  573.887   83.290  583.012   81.380   23.941   1.7922   24.153   1.7357 -0.2125511 2.494934 
1 1 1  -18    7   30 o   9.2767   2.3270   73.287   58.660  150.081   83.451  -1.7160   82.472   11.467   3.4600   7.0864   3.1126 4.380684 4.653963 
1 1 1  -18    8    1 o   98.318   0.8243  9392.34  157.268  9561.96  220.869  9217.91  223.984   99.220   1.1468   97.416   1.1845 1.803703 1.648637 
1 1 1  -18    8    2 o   44.224   0.5994  1898.92   51.452  1887.34   72.651  1910.58   72.878   44.088   0.8489   44.359   0.8463 -0.2707214 1.198720 
1 1 1  -18    8    3 o   74.766   0.7021  5428.38  101.893  5436.45  144.542  5420.40  143.659   74.822   0.9952   74.711   0.9906 0.1104050 1.404139 
1 1 1  -18    8    4 o   24.931   0.8279  601.099   39.924  533.589   54.684  678.154   58.422   23.438   1.2019   26.424   1.1390 -2.985962 1.655865 
1 1 1  -18    8    5 f  123.498   0.9787 14818.61  234.624 14821.93  332.969 14815.33  330.660  123.511   1.3888  123.485   1.3794 0.2661896E-01 1.957438 
1 1 1  -18    8    6 o   49.320   0.7920  2448.79   69.396  2594.13   84.234  2141.76  122.431   51.688   0.8395   46.951   1.3433 4.737247 1.584085 
1 1 1  -18    8    7 o   36.103   0.6377  1265.13   44.682  1225.92   62.473  1306.19   63.930   35.531   0.9058   36.676   0.8980 -1.144966 1.275454 
1 1 1  -18    8    8 o  162.288   1.1906 25607.60  375.043 25665.62  527.009 25548.06  533.837  162.477   1.6709  162.100   1.6965 0.3767548 2.381234 
1 1 1  -18    8    9 o   41.096   0.8038  1684.20   59.334  1763.32   72.375  1522.04  103.617   42.613   0.8749   39.578   1.3487 3.035511 1.607634 
1 1 1  -18    8   10 o   68.148   0.6631  4507.62   87.699  4611.32  125.888  4409.83  122.244   68.909   0.9411   67.387   0.9345 1.522026 1.326281 
1 1 1  -18    8   11 o   46.645   0.5992  2111.62   54.238  2182.77   77.687  2043.95   75.758   47.412   0.8441   45.879   0.8506 1.532623 1.198375 
1 1 1  -18    8   12 o   30.792   0.6583  920.901   39.316  917.799   56.736  923.766   54.531   30.741   0.9508   30.842   0.9108 -0.1005459 1.316649 
1 1 1  -18    8   13 o   47.246   0.8353  2153.74   75.580  2257.95  118.058  2081.36   98.385   48.205   1.2617   46.288   1.0950 1.916828 1.670541 
1 1 1  -18    8   14 o   21.307   1.2550  440.942   51.371  446.992   78.751  436.461   67.777   21.430   1.8931   21.183   1.6483 0.2467899 2.510075 
1 1 1  -18    8   15 o  126.258   1.3351 15522.05  327.208 15407.67  463.474 15635.71  462.014  125.792   1.8980  126.724   1.8782 -0.9317093 2.670217 
1 1 1  -18    8   16 o   34.616   0.9781  1141.77   64.597  1288.43  103.436  1048.00   82.710   36.399   1.4639   32.834   1.2977 3.564404 1.956287 
1 1 1  -18    8   17 o   47.911   0.8317  2227.57   77.175  2284.31  113.561  2178.87  105.201   48.475   1.2068   47.347   1.1446 1.128189 1.663310 
1 1 1  -18    8   18 o   37.477   0.9549  1375.33   68.106  1316.28  106.191  1416.60   88.768   36.781   1.4873   38.173   1.1979 -1.392422 1.909748 
1 1 1  -18    8   19 o   62.006   0.9388  3740.94  112.617  3726.89  166.041  3752.91  153.254   61.892   1.3820   62.119   1.2709 -0.2270851 1.877565 
1 1 1  -18    8   20 o   80.178   1.0744  6263.73  167.070  6188.11  240.498  6334.26  232.263   79.704   1.5544   80.652   1.4835 -0.9486237 2.148739 
1 1 1  -18    8   21 o   48.942   0.9374  2337.45   88.246  2298.12  133.532  2367.95  117.581   48.564   1.4165   49.320   1.2281 -0.7564316 1.874768 
1 1 1  -18    8   22 o   68.729   1.0060  4609.88  133.958  4551.47  194.832  4662.24  184.482   68.305   1.4694   69.154   1.3743 -0.8481293 2.011908 
1 1 1  -18    8   23 o   6.4467   2.0411 -22.5023   49.178 -52.0684   90.672 -10.1803   58.536   6.8388   3.1122   6.0546   2.6417 0.7841344 4.082188 
1 1 1  -18    8   24 o   36.266   0.9074  1314.38   59.169  1200.94  103.374  1369.65   72.158   35.032   1.5201   37.500   0.9913 -2.467640 1.814762 
1 1 1  -18    8   25 o   28.789   1.0466  830.951   54.829  758.868   93.578  868.634   67.659   27.761   1.7365   29.818   1.1689 -2.056887 2.093281 
1 1 1  -18    8   26 o   10.509   2.3926   98.975   53.864  166.587   94.098   66.023   65.691   12.444   3.6548   8.5737   3.0888 3.870502 4.785235 
1 1 1  -18    8   27 o   35.560   0.9782  1234.33   65.190  1278.18  108.022  1209.21   81.757   35.996   1.5460   35.124   1.1991 0.8715820 1.956480 
1 1 1  -18    8   28 o   29.842   1.0036  877.841   57.992  966.956   83.618  795.255   80.497   31.314   1.3756   28.370   1.4617 2.944782 2.007201 
1 1 1  -18    8   29 o   16.089   1.8491  268.437   57.743  272.475   81.471  264.360   81.853   16.222   2.5873   15.957   2.6425 0.2649670 3.698228 
1 1 1  -18    8   30 o   7.5477   2.2886   14.768   60.331  -2.6934   85.313   32.236   85.329   7.1707   3.1573   7.9247   3.3140 -0.7539864 4.577219 
1 1 1  -18    9    1 o  117.224   0.9290 13341.48  210.933 13220.11  288.243 13481.43  309.497  116.654   1.2729  117.794   1.3535 -1.140167 1.858047 
1 1 1  -18    9    2 o  115.699   0.9131 13003.97  204.854 12989.42  283.134 13019.96  296.762  115.634   1.2614  115.765   1.3206 -0.1309204 1.826197 
1 1 1  -18    9    3 o  103.211   0.8645 10347.76  173.202 10268.95  244.775 10426.79  245.113  102.817   1.2264  103.605   1.2188 -0.7876663 1.729012 
1 1 1  -18    9    4 o   54.902   0.6197  2925.56   66.026  2881.32   91.973  2972.61   94.842   54.474   0.8698   55.330   0.8830 -0.8558388 1.239459 
1 1 1  -18    9    5 o   70.236   0.8459  4870.67  108.312  5031.95  133.335  4557.77  185.720   71.984   0.9542   68.489   1.3969 3.495811 1.691724 
1 1 1  -18    9    6 o  102.197   0.8575 10146.03  170.110 10174.33  239.472 10117.21  241.687  102.341   1.2054  102.052   1.2200 0.2887192 1.715074 
1 1 1  -18    9    7 o   62.485   0.6398  3789.71   77.584  3702.09  108.393  3881.74  111.097   61.745   0.9043   63.225   0.9052 -1.480328 1.279549 
1 1 1  -18    9    8 o   81.008   0.8987  6357.46  133.052  6322.12  162.517  6429.30  231.705   80.681   1.0377   81.335   1.4675 -0.6543579 1.797348 
1 1 1  -18    9    9 o   29.038   0.7273  817.244   40.942  879.295   59.286  760.674   56.607   30.089   1.0150   27.986   1.0420 2.103577 1.454664 
1 1 1  -18    9   10 o   65.663   0.6497  4185.94   82.802  4261.02  118.269  4113.77  115.964   66.240   0.9198   65.086   0.9178 1.154564 1.299399 
1 1 1  -18    9   11 o   21.631   0.9381  459.323   38.972  393.778   56.232  519.907   54.061   20.129   1.4391   23.133   1.2039 -3.004803 1.876283 
1 1 1  -18    9   12 o   70.239   0.6785  4790.83   92.504  4867.92  131.623  4715.60  130.033   70.797   0.9577   69.681   0.9613 1.116615 1.356999 
1 1 1  -18    9   13 o   56.816   0.8567  3135.91   94.041  3143.14  140.064  3129.98  126.898   56.873   1.2687   56.760   1.1517 0.1132355 1.713488 
1 1 1  -18    9   14 o   70.194   0.9468  4797.59  128.756  4616.38  185.811  4964.98  178.581   68.913   1.3890   71.475   1.2871 -2.562393 1.893674 
1 1 1  -18    9   15 o   11.411   2.3402  129.665   53.081  126.126   91.236  131.477   65.264   11.442   3.6457   11.381   2.9350 0.6033230E-01 4.680328 
1 1 1  -18    9   16 o   18.629   1.4837  339.546   53.334  324.046   78.800  352.649   72.451   18.230   2.2267   19.028   1.9615 -0.7972813 2.967486 
1 1 1  -18    9   17 o   32.857   0.9813  1053.56   61.339  1032.23   96.391  1068.07   79.517   32.569   1.5246   33.145   1.2359 -0.5753098 1.962625 
1 1 1  -18    9   18 o   39.051   0.9564  1483.30   70.507  1482.66  113.821  1483.70   89.813   39.035   1.5021   39.067   1.1843 -0.3248978E-01 1.912837 
1 1 1  -18    9   19 o   29.731   1.1545  856.055   64.096  878.333  106.949  843.568   80.068   30.018   1.8354   29.444   1.4009 0.5737209 2.308921 
1 1 1  -18    9   20 o   38.273   0.9736  1427.21   71.123  1418.48  111.017  1433.29   92.629   38.163   1.4986   38.382   1.2432 -0.2193146 1.947142 
1 1 1  -18    9   21 o   30.750   1.1048  915.804   64.922  958.375  102.154  886.960   84.087   31.334   1.6795   30.167   1.4359 1.166983 2.209657 
1 1 1  -18    9   22 o   42.272   0.9038  1773.77   66.752  1665.75  123.560  1818.29   79.325   41.309   1.5409   43.236   0.9451 -1.927063 1.807651 
1 1 1  -18    9   23 o   60.283   0.8511  3542.00   92.692  3544.43  164.563  3540.88  112.180   60.250   1.4070   60.316   0.9581 -0.6626129E-01 1.702278 
1 1 1  -18    9   24 o   53.833   0.8271  2828.01   80.443  2823.31  142.689  2830.20   97.395   53.751   1.3675   53.915   0.9306 -0.1633911 1.654136 
1 1 1  -18    9   25 o   12.342   2.1302  158.067   48.128  163.946   85.256  155.318   58.307   12.437   3.4234   12.247   2.5362 0.1901960 4.260446 
1 1 1  -18    9   26 o   10.295   2.4047   94.673   53.516  153.606   94.804   67.112   64.833   12.002   3.7011   8.5884   3.0713 3.413990 4.809455 
1 1 1  -18    9   27 o   10.671   2.4913  116.329   57.917  119.615   99.513  114.646   71.223   10.906   3.8139   10.436   3.2063 0.4694815 4.982576 
1 1 1  -18    9   28 o   7.1534   2.1453   4.2662   52.911   42.394   77.273 -29.3894   72.600   8.0810   3.2388   6.2259   2.8140 1.855127 4.290506 
1 1 1  -18    9   29 o   10.689   2.4167  124.905   56.658  128.382   80.057  121.416   80.197   10.813   3.4119   10.565   3.4235 0.2476912 4.833338 
1 1 1  -18    9   30 o   30.287   1.1302  918.461   66.415  934.183   93.123  902.185   94.749   30.567   1.5694   30.006   1.6267 0.5606308 2.260334 
1 1 1  -18   10    1 o   93.798   0.8021  8543.25  145.912  8488.96  201.778  8602.75  211.248   93.487   1.1119   94.109   1.1564 -0.6216736 1.604204 
1 1 1  -18   10    2 o  112.164   0.9073 12217.12  197.255 12129.16  271.244 12315.85  287.374  111.738   1.2505  112.589   1.3149 -0.8512726 1.814587 
1 1 1  -18   10    3 o  101.741   0.8559 10056.77  169.001 10140.38  237.085  9970.41  240.970  102.172   1.1954  101.310   1.2253 0.8620071 1.711819 
1 1 1  -18   10    4 o   26.463   0.7815  681.371   40.069  652.676   57.652  708.184   55.730   25.922   1.1457   27.003   1.0632 -1.081221 1.563034 
1 1 1  -18   10    5 o   33.979   0.6630  1121.12   43.699  1065.24   61.377  1178.58   62.230   33.120   0.9547   34.838   0.9202 -1.718086 1.325954 
1 1 1  -18   10    6 o   48.282   0.6081  2264.25   56.958  2352.95   80.637  2175.92   80.466   49.226   0.8439   47.337   0.8757 1.888855 1.216106 
1 1 1  -18   10    7 o  106.788   0.8873 11078.91  183.921 11135.83  260.329 11022.19  259.880  107.062   1.2526  106.514   1.2569 0.5480347 1.774500 
1 1 1  -18   10    8 o   72.820   0.6859  5149.66   96.950  5217.28  137.446  5082.70  136.772   73.296   0.9660   72.344   0.9739 0.9518509 1.371766 
1 1 1  -18   10    9 o   27.043   0.7674  710.174   40.272  716.231   57.777  704.451   56.165   27.155   1.0961   26.931   1.0744 0.2238407 1.534804 
1 1 1  -18   10   10 o   57.344   0.6211  3193.46   69.129  3145.01   97.823  3241.79   97.704   56.909   0.8855   57.779   0.8711 -0.8695145 1.242162 
1 1 1  -18   10   11 o   48.292   0.5955  2264.97   55.812  2219.66   79.074  2309.95   78.787   47.810   0.8520   48.773   0.8322 -0.9632645 1.190978 
1 1 1  -18   10   12 o   83.923   0.9153  6792.08  140.379  6996.94  245.587  6692.66  171.084   84.839   1.4912   83.006   1.0618 1.833160 1.830611 
1 1 1  -18   10   13 o   52.309   0.8497  2666.95   85.750  2577.19  127.381  2741.33  115.958   51.498   1.2742   53.120   1.1246 -1.621849 1.699499 
1 1 1  -18   10   14 o  139.852   1.4311 19041.13  388.436 18792.69  542.445 19302.61  556.486  138.919   2.0115  140.785   2.0363 -1.866394 2.862278 
1 1 1  -18   10   15 o   88.140   1.1043  7549.56  188.218  7643.70  279.378  7471.32  254.693   88.634   1.6238   87.645   1.4970 0.9890137 2.208542 
1 1 1  -18   10   16 o   67.764   0.9585  4464.06  125.741  4472.28  184.839  4456.99  171.551   67.818   1.4041   67.711   1.3052 0.1075821 1.916994 
1 1 1  -18   10   17 o   20.276   1.5314  424.063   54.695  342.927   95.474  463.700   66.731   18.724   2.6268   21.827   1.5750 -3.102972 3.062732 
1 1 1  -18   10   18 f   23.229   1.3729  513.388   59.952  575.376  100.205  478.829   74.820   24.285   2.1256   22.173   1.7383 2.112141 2.745896 
1 1 1  -18   10   19 o  112.957   1.4032 12446.19  307.195 12470.00  447.467 12424.97  422.487  113.044   2.0392  112.871   1.9283 0.1721802 2.806482 
1 1 1  -18   10   20 o   59.019   0.9404  3388.68  107.234  3408.08  159.783  3372.78  144.649   59.165   1.3912   58.873   1.2657 0.2914124 1.880840 
1 1 1  -18   10   21 o   16.914   1.9575  269.630   59.893  442.686   97.027  163.096   76.127   21.235   2.3538   12.592   3.1283 8.642745 3.914977 
1 1 1  -18   10   22 o   8.0917   2.3083   33.157   48.870   31.198  102.252   33.737   55.635   8.9672   3.6770   7.2161   2.7915 1.751164 4.616575 
1 1 1  -18   10   23 o   34.100   0.9805  1137.45   58.891  1130.20  109.108  1140.43   69.957   33.981   1.6541   34.220   1.0532 -0.2388077 1.960905 
1 1 1  -18   10   24 o   15.145   1.9980  234.575   52.248  230.426   96.262  236.308   62.209   14.810   3.4178   15.479   2.0703 -0.6696243 3.995956 
1 1 1  -18   10   25 o   13.245   2.0853  174.540   49.715  215.879   87.847  155.061   60.300   14.279   3.2432   12.212   2.6221 2.067446 4.170572 
1 1 1  -18   10   26 o   17.196   1.8416  304.444   55.499  298.364   97.689  307.342   67.440   16.809   3.1083   17.582   1.9760 -0.7726994 3.683220 
1 1 1  -18   10   27 o   23.207   1.4618  522.295   62.222  589.512  109.962  490.636   75.466   24.173   2.3434   22.241   1.7480 1.932119 2.923537 
1 1 1  -18   10   28 o   20.018   1.4391  405.874   55.467  364.398   80.606  443.177   76.444   18.985   2.1872   21.050   1.8708 -2.065056 2.878141 
1 1 1  -18   10   29 o   19.162   1.6267  375.507   60.024  439.229   86.801  317.110   83.095   20.781   2.1518   17.543   2.4401 3.237921 3.253319 
1 1 1  -18   11    1 o   82.462   0.7412  6603.74  118.618  6571.55  166.001  6637.33  169.557   82.257   1.0396   82.667   1.0566 -0.4097824 1.482306 
1 1 1  -18   11    2 o   19.501   1.0328  372.288   38.786  398.783   52.907  341.506   57.027   20.259   1.3453   18.744   1.5673 1.514866 2.065522 
1 1 1  -18   11    3 o   69.161   0.6602  4645.56   88.605  4675.76  124.121  4614.18  126.527   69.390   0.9215   68.931   0.9456 0.4593430 1.320323 
1 1 1  -18   11    4 o   6.0743   1.7770   0.6669   35.882 -30.7232   50.631   32.339   50.858   5.1424   2.3346   7.0062   2.6796 -1.863776 3.553972 
1 1 1  -18   11    5 o   77.257   0.7083  5794.07  106.206  5922.90  152.187  5671.76  148.285   78.094   1.0039   76.421   0.9996 1.673386 1.416686 
1 1 1  -18   11    6 o   8.3684   1.7584   58.304   35.834  -1.8193   50.388  119.826   50.971   5.8606   2.5029   10.876   2.4705 -5.015459 3.516769 
1 1 1  -18   11    7 o   43.396   0.6010  1826.99   50.593  1869.39   73.224  1788.26   69.984   43.877   0.8597   42.914   0.8401 0.9622688 1.202024 
1 1 1  -18   11    8 o   34.053   0.6610  1127.82   43.623  1086.47   62.765  1166.46   60.673   33.448   0.9667   34.658   0.9018 -1.210743 1.322034 
1 1 1  -18   11    9 o   66.982   0.6571  4355.25   85.424  4272.84  119.309  4441.92  122.365   66.332   0.9266   67.632   0.9321 -1.299477 1.314260 
1 1 1  -18   11   10 o   26.218   0.7621  669.430   38.673  637.554   56.006  698.480   53.467   25.619   1.1262   26.817   1.0271 -1.198021 1.524210 
1 1 1  -18   11   11 o   92.253   0.7992  8261.62  143.024  8416.49  206.821  8119.68  198.001   93.080   1.1447   91.426   1.1157 1.653969 1.598421 
1 1 1  -18   11   12 o   69.166   0.8212  4681.58  103.408  4549.57  179.623  4747.02  126.467   68.420   1.3524   69.913   0.9319 -1.492973 1.642391 
1 1 1  -18   11   13 o   36.926   0.9172  1336.99   63.054  1282.48  104.175  1368.50   79.212   36.320   1.4776   37.533   1.0872 -1.212631 1.834478 
1 1 1  -18   11   14 o   55.252   0.8840  2987.31   93.724  2816.37  141.401  3121.27  125.170   53.826   1.3533   56.678   1.1377 -2.851604 1.767986 
1 1 1  -18   11   15 f   40.069   0.8928  1544.37   67.669  1631.26  110.028  1491.51   85.819   40.960   1.3838   39.178   1.1284 1.781998 1.785604 
1 1 1  -18   11   16 o   85.805   1.1156  7168.92  185.617  7012.41  266.951  7315.41  258.268   84.892   1.6199   86.718   1.5343 -1.825989 2.231181 
1 1 1  -18   11   17 o   8.4345   2.2851   49.092   51.476   3.8897   94.383   68.231   61.414   8.1358   3.4483   8.7332   2.9994 -0.5973425 4.570291 
1 1 1  -18   11   18 o   68.456   0.9910  4547.53  130.622  4645.75  198.670  4472.74  173.360   69.096   1.4812   67.815   1.3169 1.280571 1.981968 
1 1 1  -18   11   19 o   36.389   1.0327  1287.26   68.630  1293.63  119.481  1284.13   83.841   36.439   1.6892   36.340   1.1885 0.9928131E-01 2.065402 
1 1 1  -18   11   20 o   30.859   1.0934  936.129   63.431  894.175  102.242  962.381   80.877   30.275   1.7397   31.442   1.3251 -1.166935 2.186869 
1 1 1  -18   11   21 o   74.689   1.0429  5442.55  150.868  5387.83  220.208  5490.96  207.111   74.322   1.5263   75.055   1.4215 -0.7324142 2.085781 
1 1 1  -18   11   22 f   72.794   0.9303  5200.90  121.857  5071.79  216.491  5260.78  147.430   72.066   1.5476   73.521   1.0330 -1.455345 1.860658 
1 1 1  -18   11   23 o   33.215   0.9755  1095.14   56.010  1037.25  105.675  1117.76   66.051   32.547   1.6726   33.882   1.0043 -1.334431 1.950917 
1 1 1  -18   11   24 o   9.8748   2.4178   84.462   51.905  112.462   98.756   73.775   61.011   10.915   3.8004   8.8351   2.9901 2.079485 4.835648 
1 1 1  -18   11   25 o   16.078   1.8301  271.296   50.796  242.731   89.657  284.800   61.644   15.179   3.1461   16.976   1.8706 -1.796999 3.660190 
1 1 1  -18   11   26 o   28.640   1.1250  829.936   57.162  754.112  101.950  864.701   69.033   27.564   1.9054   29.716   1.1968 -2.151709 2.250036 
1 1 1  -18   11   27 o   31.810   1.1632  1036.47   65.089  915.054  116.707  1091.29   78.416   30.268   1.9863   33.352   1.2112 -3.083464 2.326455 
1 1 1  -18   11   28 o   14.062   2.3841  205.612   62.279  274.408  105.702  169.031   77.078   15.703   3.5509   12.422   3.1823 3.281485 4.768230 
1 1 1  -18   11   29 o   26.802   1.2260  723.166   63.420  662.769   91.876  778.134   87.651   25.673   1.8436   27.930   1.6166 -2.257196 2.451981 
1 1 1  -18   12    1 o   67.242   0.6513  4390.34   84.988  4374.87  118.662  4406.63  121.781   67.121   0.9107   67.363   0.9313 -0.2424622 1.302603 
1 1 1  -18   12    2 o  112.563   0.9128 12306.48  199.224 12236.93  274.754 12383.59  289.299  112.230   1.2612  112.895   1.3201 -0.6653366 1.825697 
1 1 1  -18   12    3 o   61.189   0.6415  3636.23   76.179  3665.54  107.027  3606.12  108.454   61.439   0.8974   60.939   0.9168 0.5006561 1.282920 
1 1 1  -18   12    4 o  106.995   0.8763 11121.27  181.815 11115.68  251.299 11127.40  263.377  106.969   1.2102  107.021   1.2678 -0.5175018E-01 1.752692 
1 1 1  -18   12    5 o   43.989   0.6140  1878.29   52.396  1861.92   72.592  1896.10   75.703   43.789   0.8540   44.189   0.8826 -0.3993874 1.228093 
1 1 1  -18   12    6 o   91.493   0.8039  8128.84  142.754  8007.52  199.708  8255.60  204.133   90.795   1.1331   92.190   1.1407 -1.395241 1.607816 
1 1 1  -18   12    7 o   29.793   0.7077  862.986   40.877  839.424   58.828  884.984   56.842   29.399   1.0308   30.187   0.9700 -0.7883873 1.415457 
1 1 1  -18   12    8 o   57.692   0.6184  3232.39   69.247  3187.77   98.192  3276.54   97.671   57.296   0.8829   58.088   0.8662 -0.7927628 1.236813 
1 1 1  -18   12    9 o   67.473   0.6603  4417.19   86.423  4525.19  125.061  4318.46  119.565   68.262   0.9438   66.685   0.9237 1.576706 1.320566 
1 1 1  -18   12   10 o   38.874   0.5995  1465.55   45.090  1489.62   66.771  1445.37   61.134   39.166   0.8782   38.581   0.8163 0.5847931 1.199016 
1 1 1  -18   12   11 o   53.834   0.6150  2814.20   64.261  2763.67   90.576  2865.41   91.185   53.347   0.8747   54.320   0.8648 -0.9733086 1.229972 
1 1 1  -18   12   12 o   67.046   0.8264  4307.33   99.343  4523.15  180.969  4214.23  118.852   68.219   1.3666   65.873   0.9295 2.346619 1.652707 
1 1 1  -18   12   13 f   80.726   1.0379  6335.90  162.231  6332.48  238.043  6338.87  221.689   80.701   1.5195   80.751   1.4143 -0.5039215E-01 2.075844 
1 1 1  -18   12   14 o  160.761   1.6676 25181.65  517.783 25454.11  773.812 24960.75  696.749  161.510   2.4681  160.011   2.2432 1.498535 3.335194 
1 1 1  -18   12   15 o   37.414   0.9316  1354.08   65.638  1388.20  107.300  1333.69   82.973   37.781   1.4630   37.046   1.1538 0.7353401 1.863263 
1 1 1  -18   12   16 o  105.158   1.3037 10769.22  265.879 10797.87  384.646 10743.01  367.931  105.285   1.8820  105.032   1.8046 0.2525253 2.607422 
1 1 1  -18   12   17 f   37.171   0.9598  1314.89   65.634  1433.20  114.705  1257.29   80.031   38.376   1.5398   35.965   1.1463 2.411034 1.919628 
1 1 1  -18   12   18 o   57.848   0.9446  3283.14  104.744  3050.56  157.893  3465.94  139.980   55.991   1.4527   59.705   1.2078 -3.713810 1.889199 
1 1 1  -18   12   19 o   26.069   1.2846  692.826   59.009  587.386  104.519  742.160   71.493   24.519   2.1959   27.619   1.3335 -3.099144 2.569117 
1 1 1  -18   12   20 o   30.932   1.1189  940.385   64.275  906.099  106.861  959.820   80.456   30.466   1.8069   31.398   1.3200 -0.9322319 2.237723 
1 1 1  -18   12   21 o   32.514   0.9956  1026.98   56.355  1038.34  106.938  1022.61   66.311   32.607   1.6895   32.420   1.0537 0.1868744 1.991132 
1 1 1  -18   12   22 o   30.171   1.1330  901.032   56.803  867.142  114.298  912.148   65.459   29.735   1.9802   30.606   1.1018 -0.8715439 2.266074 
1 1 1  -18   12   23 o   20.805   1.3505  409.486   50.782  467.794   92.724  384.504   60.693   21.785   2.1926   19.824   1.5772 1.961220 2.700918 
1 1 1  -18   12   24 o   22.612   1.3769  514.893   52.356  481.491  102.530  526.675   60.893   22.015   2.3992   23.208   1.3517 -1.192751 2.753736 
1 1 1  -18   12   25 o   28.403   1.0248  776.110   53.719  842.319   93.108  743.075   65.769   29.249   1.6399   27.558   1.2294 1.691086 2.049575 
1 1 1  -18   12   26 o   24.288   1.2576  613.682   54.650  498.326   92.609  675.317   67.693   22.343   2.1352   26.233   1.3293 -3.890125 2.515185 
1 1 1  -18   12   27 o   40.782   0.9484  1637.62   68.866  1632.69  125.228  1639.77   82.453   40.628   1.5878   40.936   1.0376 -0.3083038 1.896803 
1 1 1  -18   12   28 o   8.6016   2.2161   42.469   61.196 -134.1422  105.679  131.571   75.062   6.2130   2.9879   10.990   3.2737 -4.777068 4.432243 
1 1 1  -18   12   29 o   8.9935   2.3480   73.599   57.448   17.745   89.266  113.085   75.056   7.7869   3.3286   10.200   3.3125 -2.413080 4.695947 
1 1 1  -18   13    1 o   39.403   0.6346  1503.19   48.457  1430.94   66.218  1586.49   71.100   38.387   0.8886   40.420   0.9062 -2.032215 1.269182 
1 1 1  -18   13    2 o   86.687   0.7675  7294.22  129.026  7198.94  178.059  7399.57  187.227   86.093   1.0654   87.282   1.1050 -1.189171 1.535026 
1 1 1  -18   13    3 o   72.513   0.6877  5105.19   96.770  5062.33  134.905  5150.62  138.889   72.200   0.9626   72.826   0.9825 -0.6260071 1.375411 
1 1 1  -18   13    4 o   55.629   0.6128  2997.81   66.039  2900.34   90.010  3111.45   97.189   54.653   0.8484   56.606   0.8845 -1.953049 1.225619 
1 1 1  -18   13    5 o   80.513   0.7321  6295.74  114.425  6318.67  162.287  6273.08  161.360   80.659   1.0365   80.368   1.0343 0.2913818 1.464277 
1 1 1  -18   13    6 o   99.173   0.8531  9554.16  164.231  9451.76  231.530  9657.86  232.993   98.638   1.2092   99.708   1.2038 -1.069984 1.706240 
1 1 1  -18   13    7 o   17.634   1.0382  300.990   35.459  329.147   51.964  276.454   48.508   18.403   1.4546   16.865   1.4817 1.537714 2.076336 
1 1 1  -18   13    8 o   59.251   0.6272  3408.74   72.133  3339.99  101.467  3478.99  102.565   58.647   0.8913   59.855   0.8827 -1.208221 1.254435 
1 1 1  -18   13    9 o   69.324   0.6633  4666.14   89.226  4702.24  128.020  4632.05  124.425   69.584   0.9478   69.063   0.9281 0.5204468 1.326514 
1 1 1  -18   13   10 o   55.435   0.6090  2983.32   65.469  3003.30   94.813  2965.11   90.510   55.612   0.8783   55.258   0.8438 0.3535843 1.217931 
1 1 1  -18   13   11 o  102.146   0.8720 10134.55  172.848 10254.20  248.428 10022.29  240.645  102.729   1.2458  101.563   1.2206 1.166084 1.744086 
1 1 1  -18   13   12 o   54.321   0.7951  2890.40   76.508  2808.32  139.688  2925.57   91.443   53.754   1.3387   54.887   0.8583 -1.132298 1.590189 
1 1 1  -18   13   13 o  117.993   1.3524 13571.62  309.298 13084.92  444.559 14028.25  430.602  115.928   1.9755  120.058   1.8477 -4.129570 2.704890 
1 1 1  -18   13   14 o   53.008   0.8659  2715.43   87.509  2811.99  138.455  2651.20  112.925   53.782   1.3262   52.235   1.1137 1.547844 1.731787 
1 1 1  -18   13   15 o   72.733   0.9984  5146.46  140.382  5115.06  207.828  5172.82  190.377   72.522   1.4763   72.943   1.3445 -0.4208069 1.996770 
1 1 1  -18   13   16 o   36.131   13.806  1362.23  1349.18   0.0000   0.0000  1362.23  1349.18  ?   ?    36.131   13.806      ?      ? 
1 1 1  -18   13   17 o  122.508   1.5306 14644.31  363.956 14469.21  515.991 14817.68  513.442  121.774   2.1828  123.243   2.1462 -1.468491 3.061186 
1 1 1  -18   13   18 o  112.525   1.4205 12352.97  310.215 12230.20  441.985 12472.17  435.507  111.967   2.0335  113.083   1.9840 -1.116089 2.841012 
1 1 1  -18   13   19 o   34.092   1.0926  1156.54   67.616  1060.30  116.201  1205.81   83.141   32.974   1.8154   35.210   1.2164 -2.235455 2.185250 
1 1 1  -18   13   20 o   88.813   1.1764  7701.75  202.628  7492.54  290.212  7900.74  283.041   87.624   1.7062   90.003   1.6200 -2.379158 2.352798 
1 1 1  -18   13   21 o   17.629   1.8227  351.040   48.286  242.878   96.938  386.731   55.685   15.343   3.3487   19.915   1.4404 -4.571652 3.645398 
1 1 1  -18   13   22 o   41.138   0.9369  1668.23   64.547  1615.50  128.661  1685.96   74.616   40.648   1.6306   41.629   0.9234 -0.9807587 1.873881 
1 1 1  -18   13   23 o   14.252   2.0809  231.418   49.431  154.857   97.236  258.099   57.401   12.285   3.7411   16.218   1.8233 -3.932632 4.161759 
1 1 1  -18   13   24 o   40.497   0.9038  1562.85   64.201  1697.08  122.338  1511.84   75.422   41.610   1.5146   39.384   0.9865 2.225262 1.807562 
1 1 1  -18   13   25 o   35.181   0.9383  1171.36   58.556  1316.20  110.259  1114.46   69.107   36.580   1.5528   33.781   1.0539 2.798923 1.876613 
1 1 1  -18   13   26 o   13.294   2.0214  221.155   51.564   72.358   90.363  293.001   62.791   9.4047   3.5778   17.184   1.8824 -7.779198 4.042817 
1 1 1  -18   13   27 o   24.133   1.3588  604.549   57.844  521.917  102.350  643.327   70.115   22.718   2.3209   25.547   1.4138 -2.829576 2.717634 
1 1 1  -18   13   28 o   19.575   1.8756  425.016   62.411  328.300  106.350  475.819   77.079   17.339   3.2798   21.811   1.8205 -4.472181 3.751192 
1 1 1  -18   13   29 o   9.1434   2.3500   66.250   57.029  139.355   87.507   12.275   75.190   11.144   3.5725   7.1426   3.0541 4.001466 4.699988 
1 1 1  -18   14    1 o   27.019   0.7830  709.159   41.035  747.068   58.378  672.134   57.694   27.734   1.0844   26.305   1.1299 1.428463 1.566027 
1 1 1  -18   14    2 f  108.647   0.9076 11469.00  191.396 11614.71  270.612 11323.16  270.737  109.338   1.2750  107.955   1.2919 1.382477 1.815137 
1 1 1  -18   14    3 f   62.457   0.6361  3789.67   77.095  3874.49  108.329  3702.62  109.741   63.166   0.8835   61.748   0.9155 1.417984 1.272299 
1 1 1  -18   14    4 o  109.871   0.8904 11730.76  189.788 11812.27  264.431 11644.16  272.554  110.267   1.2354  109.476   1.2825 0.7914581 1.780748 
1 1 1  -18   14    5 o   70.982   0.6760  4889.73   93.079  4813.13  128.790  4973.48  134.673   70.401   0.9424   71.563   0.9695 -1.161987 1.352026 
1 1 1  -18   14    6 o   27.861   0.7430  754.078   40.173  776.911   56.848  731.299   56.780   28.283   1.0354   27.440   1.0660 0.8433361 1.486088 
1 1 1  -18   14    7 o   78.654   0.7240  6007.81  110.538  6080.18  157.308  5937.22  155.359   79.122   1.0242   78.186   1.0236 0.9356613 1.448032 
1 1 1  -18   14    8 o   64.148   0.6395  3994.30   79.611  3917.63  111.074  4075.29  114.164   63.516   0.9009   64.781   0.9079 -1.265213 1.278980 
1 1 1  -18   14    9 o   99.024   0.8526  9526.76  163.888  9485.43  232.287  9567.73  231.261   98.810   1.2110   99.238   1.2005 -0.4285965 1.705225 
1 1 1  -18   14   10 o   41.831   0.5855  1699.20   47.545  1700.06   67.550  1698.36   66.932   41.842   0.8317   41.821   0.8245 0.2073669E-01 1.171078 
1 1 1  -18   14   11 o   24.201   0.8185  571.080   38.308  532.956   55.314  606.219   53.104   23.420   1.2167   24.981   1.0951 -1.560482 1.636929 
1 1 1  -18   14   12 o   32.555   0.9011  1075.38   50.465  929.965   93.638  1134.90   59.910   30.925   1.5598   34.184   0.9028 -3.259087 1.802265 
1 1 1  -18   14   13 o   89.351   1.1329  7768.12  196.420  7650.40  280.577  7881.25  275.063   88.683   1.6298   90.018   1.5741 -1.334778 2.265884 
1 1 1  -18   14   14 o   25.669   1.2222  635.943   56.219  655.314  102.049  627.503   67.363   25.934   2.0271   25.405   1.3660 0.5297375 2.444365 
1 1 1  -18   14   15 o  106.484   1.3238 11051.70  273.326 10780.94  393.051 11305.24  380.343  105.210   1.9245  107.758   1.8183 -2.547981 2.647634 
1 1 1  -18   14   16 o   12.908   2.1912  178.848   52.554  123.326   96.919  201.973   62.548   11.430   3.7667   14.385   2.2400 -2.954865 4.382411 
1 1 1  -18   14   17 o   22.462   1.3419  465.868   54.888  566.282   99.909  422.460   65.689   24.093   2.1363   20.832   1.6244 3.260706 2.683730 
1 1 1  -18   14   18 o   20.538   1.6428  445.808   57.731  336.490  103.391  495.334   69.591   18.522   2.8756   22.555   1.5895 -4.032221 3.285606 
1 1 1  -18   14   19 o   92.407   1.2100  8319.04  216.567  8407.48  317.664  8242.24  296.024   92.854   1.7624   91.961   1.6583 0.8924179 2.419903 
1 1 1  -18   14   20 o   22.962   1.4073  581.794   48.301  412.676  102.894  629.594   54.703   20.486   2.5875   25.438   1.1078 -4.952795 2.814636 
1 1 1  -18   14   21 o   25.029   1.2430  645.085   49.122  556.034  103.073  671.253   55.875   23.797   2.2313   26.261   1.0961 -2.464018 2.485936 
1 1 1  -18   14   22 o   46.032   0.8894  2040.38   69.856  2120.07  137.762  2012.79   81.049   46.581   1.5236   45.483   0.9180 1.097275 1.778738 
1 1 1  -18   14   23 o   35.599   0.9346  1242.93   57.453  1225.03  109.722  1249.69   67.437   35.372   1.5980   35.825   0.9697 -0.4525566 1.869182 
1 1 1  -18   14   24 o   15.266   1.8924  189.016   50.007  390.071   99.560  121.180   57.831   19.747   2.5973   10.786   2.7528 8.960342 3.784709 
1 1 1  -18   14   25 o   11.458   2.3699  121.931   50.742  185.023  100.453  100.317   58.795   13.088   3.7569   9.8268   2.8898 3.261415 4.739773 
1 1 1  -18   14   26 o   27.049   1.0516  712.706   53.341  749.261   88.548  691.886   66.828   27.542   1.6562   26.556   1.2964 0.9861012 2.103240 
1 1 1  -18   14   27 f   9.2250   2.3008   43.213   54.083  165.269   95.019 -15.2790   65.778   12.253   3.6909   6.1973   2.7482 6.055541 4.601659 
1 1 1  -18   14   28 o   8.7425   2.3601   52.877   54.608  108.722   92.292   22.794   67.737   10.311   3.6668   7.1740   2.9723 3.136899 4.720220 
1 1 1  -18   14   29 o   9.5326   1.9886   56.902   54.518 -87.1832   76.508  205.537   77.706   5.4303   2.5929   13.635   3.0159 -8.204635 3.977243 
1 1 1  -18   15    1 o   80.734   0.7338  6328.46  114.937  6269.94  159.622  6391.45  165.634   80.347   1.0234   81.121   1.0518 -0.7733154 1.467576 
1 1 1  -18   15    2 o   48.673   0.6088  2300.73   57.488  2308.54   80.065  2292.42   82.593   48.759   0.8459   48.588   0.8757 0.1712685 1.217541 
1 1 1  -18   15    3 o  153.406   1.1235 22880.33  333.749 22925.54  456.468 22828.39  489.217  153.577   1.5311  153.235   1.6447 0.3428345 2.247081 
1 1 1  -18   15    4 o   29.109   0.7099  823.817   40.035  839.003   55.246  807.021   58.098   29.393   0.9683   28.826   1.0383 0.5668983 1.419704 
1 1 1  -18   15    5 o   37.681   0.6257  1378.79   45.769  1365.81   64.649  1391.84   64.805   37.503   0.8880   37.859   0.8818 -0.3559074 1.251463 
1 1 1  -18   15    6 o   17.277   1.1453  296.686   37.299  217.766   53.204  372.961   52.305   14.963   1.8317   19.591   1.3754 -4.627926 2.290591 
1 1 1  -18   15    7 o  109.426   0.9028 11634.11  191.745 11643.39  269.321 11624.56  273.053  109.471   1.2674  109.381   1.2860 0.9020233E-01 1.805557 
1 1 1  -18   15    8 o   65.511   0.6577  4167.71   83.641  4141.12  117.853  4194.69  118.723   65.301   0.9297   65.722   0.9306 -0.4210281 1.315448 
1 1 1  -18   15    9 o   73.762   0.7010  5284.27  100.371  5317.88  142.120  5250.83  141.772   73.996   0.9894   73.528   0.9933 0.4681473 1.401994 
1 1 1  -18   15   10 o   8.2097   1.8941   62.451   35.511   41.573   51.785   80.982   48.788   7.3920   2.7301   9.0274   2.6261 -1.635394 3.788103 
1 1 1  -18   15   11 o  104.064   0.9058 10523.79  182.724 10520.88  265.488 10526.42  251.870  104.047   1.3145  104.081   1.2466 -0.3407288E-01 1.811608 
1 1 1  -18   15   12 o   45.312   0.7876  2014.98   62.863  1946.45  115.714  2043.67   74.876   44.751   1.3321   45.874   0.8408 -1.123192 1.575235 
1 1 1  -18   15   13 f   97.866   1.2112  9314.32  229.836  9437.46  333.899  9203.45  316.845   98.475   1.7467   97.257   1.6783 1.218521 2.422321 
1 1 1  -18   15   14 o   33.403   1.0134  1109.80   59.986  1023.20  107.896  1148.54   72.167   32.424   1.7142   34.381   1.0813 -1.956963 2.026789 
1 1 1  -18   15   15 o   13.332   2.1261  201.425   52.735  104.415   94.378  245.463   63.588   10.795   3.7176   15.870   2.0642 -5.074523 4.252251 
1 1 1  -18   15   16 o   48.991   0.8781  2323.62   81.764  2382.10  130.293  2285.63  105.017   49.489   1.3563   48.493   1.1156 0.9961510 1.756147 
1 1 1  -18   15   17 o   74.956   1.0247  5457.90  148.459  5556.24  221.263  5377.38  200.217   75.561   1.5085   74.350   1.3872 1.211029 2.049387 
1 1 1  -18   15   18 o   69.722   0.9987  4744.55  134.685  4522.70  196.002  4943.02  185.387   68.165   1.4813   71.280   1.3398 -3.115669 1.997319 
1 1 1  -18   15   19 o   10.735   2.5000  104.090   55.593  122.034  106.281   97.331   65.229   11.524   3.9462   9.9458   3.0705 1.577979 5.000059 
1 1 1  -18   15   20 o   49.022   0.8419  2376.56   70.681  2259.55  135.553  2420.25   82.832   48.146   1.4504   49.898   0.8552 -1.752602 1.683725 
1 1 1  -18   15   21 o   52.841   0.8178  2701.01   76.343  2761.88  141.786  2676.15   90.597   53.223   1.3724   52.459   0.8897 0.7633667 1.635519 
1 1 1  -18   15   22 o   57.367   0.8739  3243.28   87.293  3130.25  163.657  3288.23  103.199   56.602   1.4895   58.132   0.9145 -1.530788 1.747842 
1 1 1  -18   15   23 o   12.952   2.0142  141.804   46.292  273.843   89.609   93.739   54.066   16.320   2.9365   9.5839   2.7577 6.736354 4.028403 
1 1 1  -18   15   24 o   20.437   1.4010  386.750   49.648  472.746   98.710  357.626   57.443   21.788   2.3339   19.086   1.5505 2.701656 2.801991 
1 1 1  -18   15   25 o   37.409   0.9156  1362.98   60.567  1394.25  112.227  1350.13   71.943   37.634   1.5362   37.185   0.9967 0.4483757 1.831223 
1 1 1  -18   15   26 o   27.952   1.1584  802.908   56.761  695.939  101.839  851.115   68.365   26.432   1.9848   29.472   1.1950 -3.040451 2.316759 
1 1 1  -18   15   27 o   30.957   0.9994  930.007   58.043  1004.98   96.796  887.914   72.530   31.858   1.5652   30.055   1.2432 1.802952 1.998824 
1 1 1  -18   15   28 o   17.915   1.6550  304.187   53.921  399.191   99.288  264.447   64.215   19.647   2.6033   16.183   2.0441 3.464373 3.309943 
1 1 1  -18   15   29 o   18.137   1.9188  355.478   61.034  334.598  105.355  366.025   74.879   17.316   3.2538   18.958   2.0347 -1.642597 3.837612 
1 1 1  -18   16    1 o   70.210   0.6868  4780.41   93.405  4688.28  127.403  4887.48  137.346   69.481   0.9446   70.939   0.9974 -1.458450 1.373698 
1 1 1  -18   16    2 o   91.610   0.7972  8153.37  141.735  8229.52  198.972  8074.92  201.949   92.045   1.1136   91.174   1.1410 0.8704834 1.594388 
1 1 1  -18   16    3 o   71.080   0.6857  4906.75   94.606  4961.77  133.885  4851.89  133.702   71.478   0.9649   70.682   0.9745 0.7963028 1.371370 
1 1 1  -18   16    4 o   95.834   0.8178  8915.76  151.993  8791.10  209.962  9053.02  220.312   95.132   1.1370   96.536   1.1757 -1.404083 1.635505 
1 1 1  -18   16    5 o   43.280   0.6079  1818.25   51.060  1782.71   71.397  1855.45   73.052   42.847   0.8584   43.712   0.8609 -0.8653984 1.215746 
1 1 1  -18   16    6 f  115.027   0.9288 12857.61  207.149 12885.05  286.412 12827.50  299.963  115.159   1.2812  114.895   1.3449 0.2636337 1.857528 
1 1 1  -18   16    7 o   83.925   0.7525  6840.77  122.581  6927.14  174.188  6756.02  172.535   84.450   1.0626   83.400   1.0657 1.049744 1.504929 
1 1 1  -18   16    8 o   37.421   0.6298  1358.56   45.717  1392.62   66.169  1327.45   63.239   37.869   0.9001   36.972   0.8811 0.8962517 1.259617 
1 1 1  -18   16    9 o   80.941   0.7330  6363.36  115.166  6296.60  162.416  6430.87  163.326   80.514   1.0392   81.368   1.0340 -0.8542328 1.465989 
1 1 1  -18   16   10 o   56.160   0.6170  3063.60   67.249  3012.24   95.616  3113.88   94.600   55.693   0.8844   56.626   0.8606 -0.9325943 1.234048 
1 1 1  -18   16   11 o   69.521   0.6762  4691.85   91.230  4602.07  127.063  4787.38  131.066   68.835   0.9509   70.207   0.9617 -1.371613 1.352463 
1 1 1  -18   16   12 o   47.875   0.8102  2247.13   67.443  2181.56  126.995  2272.89   79.595   47.373   1.3810   48.378   0.8476 -1.004929 1.620353 
1 1 1  -18   16   13 o   22.847   1.3342  484.852   53.288  562.487  103.628  456.943   62.132   24.019   2.2226   21.676   1.4766 2.342899 2.668392 
1 1 1  -18   16   14 o   21.820   1.3378  463.704   50.690  463.491   96.335  463.785   59.610   21.801   2.2764   21.840   1.4061 -0.3900337E-01 2.675647 
1 1 1  -18   16   15 o   18.008   1.5357  320.699   49.800  304.387   87.698  328.463   60.502   17.648   2.5600   18.368   1.6968 -0.7203865 3.071307 
1 1 1  -18   16   16 o   50.058   0.8562  2449.56   81.876  2356.93  126.359  2516.60  107.494   49.230   1.3222   50.887   1.0882 -1.656181 1.712459 
1 1 1  -18   16   17 o   21.972   1.2180  460.115   48.087  496.893   87.796  444.354   57.475   22.572   2.0038   21.372   1.3854 1.199755 2.436054 
1 1 1  -18   16   18 o   53.366   0.9061  2790.48   92.278  2653.03  142.350  2890.10  121.190   52.212   1.4045   54.519   1.1451 -2.307323 1.812155 
1 1 1  -18   16   19 o   58.741   0.8577  3375.87   86.810  3317.27  166.329  3397.81  101.771   58.354   1.4684   59.127   0.8867 -0.7734337 1.715308 
1 1 1  -18   16   20 o   49.564   0.8387  2422.38   71.383  2324.74  136.669  2459.01   83.709   48.833   1.4418   50.295   0.8574 -1.461849 1.677434 
1 1 1  -18   16   21 o   29.296   1.1123  870.015   52.410  781.275  108.465  897.045   59.862   28.231   1.9792   30.361   1.0157 -2.130035 2.224623 
1 1 1  -18   16   22 o   46.586   0.9596  2133.05   83.206  2065.92  137.821  2171.55  104.374   45.966   1.5446   47.206   1.1390 -1.239811 1.919160 
1 1 1  -18   16   23 o   25.889   1.2074  678.032   51.153  619.211  103.666  696.963   58.811   25.046   2.1322   26.733   1.1333 -1.686914 2.414700 
1 1 1  -18   16   24 o   24.511   1.2698  637.467   51.710  501.725   98.017  689.817   60.870   22.454   2.2487   26.567   1.1803 -4.112694 2.539646 
1 1 1  -18   16   25 o   27.858   1.1284  765.279   52.897  764.763  105.307  765.453   61.175   27.743   1.9554   27.973   1.1266 -0.2296486 2.256708 
1 1 1  -18   16   26 o   10.697   2.4325  116.667   53.510  120.412  101.812  115.238   62.898   10.964   3.8564   10.430   2.9659 0.5339813 4.865007 
1 1 1  -18   16   27 o   8.8219   2.3250   68.335   49.727   65.982   94.318   69.241   58.521   9.2046   3.6138   8.4391   2.9262 0.7654982 4.650002 
1 1 1  -18   16   28 o   8.4418   2.3459   55.782   53.658   45.342   96.860   60.405   64.451   8.6836   3.5718   8.1999   3.0423 0.4837694 4.691805 
1 1 1  -18   16   29 o   9.7503   2.2707  102.338   59.622 -39.1116  108.029  164.297   71.498   7.3739   3.3717   12.127   3.0424 -4.752761 4.541390 
1 1 1  -18   17    1 o   37.362   0.6765  1348.45   48.930  1229.26   66.596  1488.26   72.130   35.577   0.9643   39.147   0.9492 -3.569393 1.353087 
1 1 1  -18   17    2 o   16.726   1.2601  270.320   40.750  239.901   55.370  306.265   60.190   15.705   1.8162   17.746   1.7473 -2.041159 2.520248 
1 1 1  -18   17    3 o   90.432   0.7999  7944.39  140.349  7961.07  195.635  7926.69  201.461   90.531   1.1132   90.333   1.1489 0.1980209 1.599765 
1 1 1  -18   17    4 o   38.243   0.6251  1423.38   46.272  1471.62   63.759  1369.70   67.259   38.930   0.8437   37.556   0.9226 1.374023 1.250210 
1 1 1  -18   17    5 o   92.150   0.8018  8248.70  143.404  8243.74  200.740  8253.88  204.931   92.123   1.1225   92.178   1.1453 -0.5510712E-01 1.603680 
1 1 1  -18   17    6 o   43.462   0.6105  1834.42   51.497  1845.08   72.363  1823.47   73.303   43.590   0.8552   43.334   0.8714 0.2563667 1.220963 
1 1 1  -18   17    7 o   23.889   1.2559  543.878   48.980  534.685   55.580  575.833  103.628   23.459   1.2205   24.318   2.1953 -0.8587666 2.511730 
1 1 1  -18   17    8 o   39.714   0.7057  1550.41   52.469  1458.92   85.103  1606.52   66.642   38.753   1.1313   40.674   0.8440 -1.921139 1.411466 
1 1 1  -18   17    9 o   19.651   0.9473  374.998   36.056  379.301   52.927  371.272   49.253   19.755   1.3802   19.546   1.2981 0.2086716 1.894693 
1 1 1  -18   17   10 o   76.443   0.7171  5675.93  106.402  5713.85  150.825  5638.35  150.128   76.697   1.0130   76.189   1.0151 0.5085449 1.434109 
1 1 1  -18   17   11 o   32.523   0.6413  1020.35   40.267  1091.24   60.910  965.324   53.666   33.519   0.9361   31.527   0.8769 1.991777 1.282682 
1 1 1  -18   17   12 o   23.450   1.2216  503.228   44.872  590.209  102.920  482.813   49.861   24.610   2.1544   22.291   1.1523 2.319408 2.443190 
1 1 1  -18   17   13 o   80.031   1.0636  6193.32  164.077  6524.08  249.744  5942.13  217.636   81.892   1.5710   78.169   1.4343 3.722664 2.127277 
1 1 1  -18   17   14 o   65.215   0.9248  4139.33  116.408  4088.03  173.536  4181.29  156.961   64.841   1.3787   65.588   1.2328 -0.7472458 1.849514 
1 1 1  -18   17   15 o   40.432   0.8505  1593.35   63.292  1576.10  108.039  1602.36   78.097   40.254   1.3826   40.609   0.9907 -0.3550682 1.700927 
1 1 1  -18   17   16 o   63.473   0.9191  3927.81  112.565  3819.73  167.396  4017.03  152.084   62.667   1.3761   64.280   1.2188 -1.612762 1.838243 
1 1 1  -18   17   17 f   23.413   1.2075  551.260   50.941  485.446   87.714  584.755   62.575   22.307   2.0256   24.519   1.3147 -2.211847 2.414903 
1 1 1  -18   17   18 o   10.486   2.2742  114.434   50.334   52.236   98.104  136.658   58.641   9.3931   3.6863   11.580   2.6642 -2.186415 4.548306 
1 1 1  -18   17   19 o   40.326   0.9088  1582.27   56.928  1584.60  127.201  1581.69   63.659   40.308   1.6257   40.344   0.8129 -0.3611374E-01 1.817578 
1 1 1  -18   17   20 f   61.728   0.8630  3751.26   93.812  3612.45  172.552  3809.51  111.774   60.865   1.4605   62.591   0.9199 -1.726265 1.726044 
1 1 1  -18   17   21 o   64.190   0.8783  4015.23   98.470  4016.69  185.394  4014.65  116.219   64.140   1.4890   64.239   0.9320 -0.9927368E-01 1.756638 
1 1 1  -18   17   22 o   11.173   2.3059   84.305   44.291  222.640  106.969   55.682   48.658   14.549   3.7603   7.7968   2.6701 6.752489 4.611827 
1 1 1  -18   17   23 o   72.281   0.9291  5126.33  119.629  5053.65  216.919  5158.09  143.410   71.812   1.5561   72.751   1.0155 -0.9381561 1.858126 
1 1 1  -18   17   24 f   40.303   0.9358  1583.76   73.214   0.0000   0.0000  1583.76   73.214  ?   ?    40.303   0.9358      ?      ? 
1 1 1  -18   17   25 o   21.505   1.4878  495.455   51.896  395.981  102.027  530.173   60.275   19.767   2.6589   23.243   1.3359 -3.475325 2.975645 
1 1 1  -18   17   26 o   39.043   0.9496  1520.27   63.937  1451.26  121.207  1546.88   75.259   38.301   1.6302   39.785   0.9745 -1.484074 1.899287 
1 1 1  -18   17   27 o   8.9389   2.2972   76.554   51.258   26.053   97.653   95.759   60.220   8.3469   3.5210   9.5309   2.9516 -1.183990 4.594459 
1 1 1  -18   17   28 o   9.0111   2.2005   79.189   55.014 -60.0863  104.821  132.139   64.631   7.0351   3.2543   10.987   2.9627 -3.951928 4.400906 
1 1 1  -18   17   29 o   8.2590   2.4455   29.830   57.444   76.953  116.842   14.810   65.967   9.7115   3.9504   6.8066   2.8838 2.904904 4.890976 
1 1 1  -18   18    1 o   25.687   0.8580  646.481   42.122  675.940   55.674  607.040   64.419   26.379   1.0872   24.994   1.3277 1.385431 1.716081 
1 1 1  -18   18    2 o  119.956   0.9856 13982.20  229.121 13949.87  314.971 14018.54  333.910  119.813   1.3543  120.099   1.4323 -0.2859116 1.971147 
1 1 1  -18   18    3 o   60.343   0.6353  3528.04   74.266  3418.45  101.243  3655.69  109.271   59.332   0.8790   61.355   0.9175 -2.022930 1.270622 
1 1 1  -18   18    4 o   40.993   0.7017  1607.89   54.221  1536.23   68.223  1730.78   89.339   39.774   0.8836   42.212   1.0903 -2.437813 1.403398 
1 1 1  -18   18    5 o   62.193   0.6344  3756.57   76.578  3825.87  108.238  3687.11  108.358   62.767   0.8883   61.618   0.9059 1.149376 1.268797 
1 1 1  -18   18    6 o  106.402   0.9118 10997.67  188.280 10875.37  262.711 11126.82  269.975  105.795   1.2792  107.009   1.2997 -1.214172 1.823626 
1 1 1  -18   18    7 o   73.660   0.7010  5267.86  100.210  5191.59  139.720  5348.66  143.804   73.112   0.9845   74.209   0.9983 -1.097023 1.402051 
1 1 1  -18   18    8 o   72.132   0.7001  5049.26   97.960  5166.08  141.687  4942.27  135.586   72.930   1.0008   71.334   0.9792 1.596161 1.400140 
1 1 1  -18   18    9 o  118.521   1.0447 13649.43  240.275 13392.78  334.809 13921.98  345.020  117.374   1.4695  119.668   1.4852 -2.294418 2.089332 
1 1 1  -18   18   10 o   73.764   0.7128  5284.69  102.065  5228.96  143.412  5341.88  145.290   73.370   1.0069   74.158   1.0093 -0.7878647 1.425676 
1 1 1  -18   18   11 o   82.577   0.7690  6622.51  123.250  6464.61  172.532  6787.06  176.128   81.572   1.0896   83.582   1.0855 -2.009880 1.538060 
1 1 1  -18   18   12 o   68.960   1.0286  4616.90  137.551  4457.49  189.408  4794.77  200.085   67.704   1.4412   70.216   1.4680 -2.512230 2.057156 
1 1 1  -18   18   13 o  103.270   1.3028 10385.07  261.020 10330.01  374.781 10436.94  363.743  102.998   1.8745  103.541   1.8097 -0.5430679 2.605546 
1 1 1  -18   18   14 o   21.266   1.2711  461.875   46.977  390.596   85.130  493.084   56.331   20.012   2.1914   22.520   1.2886 -2.508396 2.542178 
1 1 1  -18   18   15 o   38.010   0.8839  1353.27   60.508  1541.94  111.253  1274.02   72.106   39.811   1.4396   36.209   1.0259 3.602879 1.767716 
1 1 1  -18   18   16 o   37.479   0.8546  1345.06   60.326  1448.99   99.629  1284.90   75.801   38.599   1.3297   36.360   1.0739 2.238266 1.709215 
1 1 1  -18   18   17 o   39.814   0.8737  1557.05   64.822  1484.76  106.667  1599.39   81.622   39.062   1.4067   40.566   1.0365 -1.503460 1.747368 
1 1 1  -18   18   18 o   76.049   1.0395  5633.53  152.689  5616.38  227.364  5647.61  206.073   75.931   1.5425   76.167   1.3938 -0.2362366 2.078943 
1 1 1  -18   18   19 o   61.525   0.8780  3724.62   93.052  3599.05  177.588  3772.15  109.251   60.759   1.5057   62.291   0.9035 -1.532570 1.755979 
1 1 1  -18   18   20 o   91.990   1.0621  8331.32  176.969  8043.38  309.695  8470.93  215.644   90.710   1.7588   93.269   1.1911 -2.558777 2.124134 
1 1 1  -18   18   21 o   19.832   1.4269  308.602   45.907  544.019  107.195  255.729   50.801   23.492   2.3507   16.172   1.6182 7.319811 2.853808 
1 1 1  -18   18   22 o   27.917   1.0911  746.607   47.428  789.315  106.948  736.151   52.915   28.339   1.9441   27.495   0.9914 0.8441868 2.182294 
1 1 1  -18   18   23 o   74.949   0.9615  5605.88  128.697  5206.25  228.615  5791.29  155.715   72.832   1.6170   77.066   1.0409 -4.233818 1.923069 
1 1 1  -18   18   24 o   13.276   1.9768  163.055   46.901  259.979   85.474  121.299   56.102   15.790   2.8953   10.762   2.6921 5.027671 3.953515 
1 1 1  -18   18   25 o   43.674   0.8670  1911.22   66.722  1764.99  121.077  1974.99   79.959   42.357   1.4725   44.991   0.9155 -2.634010 1.733945 
1 1 1  -18   18   26 f   14.359   2.1237  238.170   50.604  174.082  101.324  259.468   58.411   12.578   3.8164   16.140   1.8644 -3.561864 4.247484 
1 1 1  -18   18   27 o   8.8152   2.3375   69.983   51.511   43.618   98.950   79.784   60.330   8.7601   3.6075   8.8704   2.9735 -0.1103611 4.674982 
1 1 1  -18   18   28 o   7.1314   2.2575 -21.5442   55.947   25.277  110.788 -37.5717   64.819   8.6214   3.6973   5.6415   2.5913 2.979923 4.514990 
1 1 1  -18   19    1 o   31.426   0.7689  954.479   46.788  883.607   63.580  1038.19   69.101   30.160   1.0860   32.692   1.0889 -2.531921 1.537848 
1 1 1  -18   19    2 o  109.785   0.9148 11705.85  194.572 11621.22  266.598 11802.31  284.618  109.364   1.2558  110.206   1.3304 -0.8415451 1.829501 
1 1 1  -18   19    3 o  158.612   1.2253 24433.65  376.021 24065.62  509.724 24873.06  556.959  157.315   1.6692  159.909   1.7943 -2.593796 2.450612 
1 1 1  -18   19    4 o   90.289   0.7981  7918.65  139.793  7902.31  194.164  7936.24  201.430   90.194   1.1090   90.385   1.1481 -0.1906738 1.596210 
1 1 1  -18   19    5 o   15.737   1.2344  240.824   37.704  243.211   53.800  238.520   52.856   15.813   1.7527   15.660   1.7387 0.1529665 2.468833 
1 1 1  -18   19    6 o  103.596   0.8855 10423.84  177.909 10336.06  245.852 10520.34  257.775  103.141   1.2279  104.052   1.2762 -0.9109802 1.771037 
1 1 1  -18   19    7 o   47.863   0.6054  2220.61   56.169  2300.34   82.042  2150.26   77.063   48.670   0.8684   47.056   0.8436 1.613796 1.210709 
1 1 1  -18   19    8 o   45.972   0.5932  2046.43   52.821  2137.97   77.875  1968.43   71.886   46.921   0.8550   45.023   0.8225 1.897831 1.186402 
1 1 1  -18   19    9 o   89.790   0.8220  7832.28  143.265  7943.49  203.874  7723.80  201.363   90.420   1.1615   89.161   1.1634 1.259247 1.643998 
1 1 1  -18   19   10 o   64.902   0.6611  4091.15   83.287  4076.63  117.451  4105.83  118.122   64.786   0.9339   65.018   0.9359 -0.2315521 1.322172 
1 1 1  -18   19   11 o   48.786   0.5981  2308.59   56.610  2216.28   78.486  2408.69   81.729   47.770   0.8464   49.801   0.8454 -2.030441 1.196295 
1 1 1  -18   19   12 o   83.163   0.9587  6754.92  145.350  6634.50  252.491  6814.60  177.758   82.581   1.5751   83.745   1.0935 -1.163704 1.917418 
1 1 1  -18   19   13 o   94.526   1.2025  8689.52  220.316  8806.30  321.357  8585.96  302.634   95.119   1.7404   93.933   1.6597 1.185532 2.404942 
1 1 1  -18   19   14 o   48.229   0.8660  2251.26   76.944  2293.23  132.068  2229.69   94.672   48.555   1.4012   47.902   1.0181 0.6530571 1.732013 
1 1 1  -18   19   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   19   16 o   92.995   1.1975  8428.15  215.987  8268.29  310.115  8578.74  300.992   92.130   1.7340   93.860   1.6520 -1.729347 2.394980 
1 1 1  -18   19   17 o   41.034   0.8632  1639.84   65.495  1630.04  110.872  1645.10   81.172   40.927   1.3956   41.141   1.0164 -0.2139664 1.726453 
1 1 1  -18   19   18 o   36.456   0.8953  1253.93   51.743  1362.37  114.732  1226.25   57.973   37.388   1.5809   35.524   0.8407 1.864117 1.790502 
1 1 1  -18   19   19 o   80.735   0.9779  6324.86  139.403  6415.87  258.648  6287.60  165.497   81.077   1.6434   80.393   1.0605 0.6839294 1.955870 
1 1 1  -18   19   20 o   52.161   0.8239  2672.96   74.322  2597.43  141.148  2701.94   87.424   51.607   1.4090   52.715   0.8543 -1.108070 1.647750 
1 1 1  -18   19   21 o   18.110   1.6786  314.737   45.444  338.010  108.242  309.757   50.070   18.412   3.0286   17.809   1.4483 0.6025696 3.357100 
1 1 1  -18   19   22 o   12.562   2.0012  147.498   41.703  196.119   87.758  133.316   47.396   13.689   3.3336   11.436   2.2151 2.252939 4.002451 
1 1 1  -18   19   23 o   40.762   0.9392  1627.22   62.600  1623.13  130.072  1628.46   71.415   40.640   1.6488   40.885   0.8998 -0.2445869 1.878340 
1 1 1  -18   19   24 o   80.722   0.9760  6450.09  143.077  6232.91  249.009  6557.13  174.816   79.538   1.6128   81.907   1.0995 -2.369186 1.951915 
1 1 1  -18   19   25 o   36.899   0.9234  1363.97   58.961  1272.59  110.523  1400.32   69.708   35.923   1.5850   37.875   0.9481 -1.952290 1.846896 
1 1 1  -18   19   26 f   12.408   2.1669  176.685   50.446  118.417   96.182  198.796   59.249   10.762   3.7504   14.053   2.1719 -3.290799 4.333869 
1 1 1  -18   19   27 o   18.768   1.7892  397.965   53.861  295.323   99.063  441.041   64.175   16.457   3.2163   21.079   1.5684 -4.622162 3.578323 
1 1 1  -18   19   28 o   7.3313   2.2538   8.5887   55.037   5.4088  103.012   9.8590   65.109   7.9863   3.4939   6.6763   2.8480 1.309948 4.507595 
1 1 1  -18   20    1 o  145.191   1.1499 20522.65  323.267 20862.38  443.870 20138.91  471.740  146.483   1.5610  143.899   1.6888 2.583618 2.299734 
1 1 1  -18   20    2 o   80.108   0.8940  6157.85  130.521  6015.61  158.332  6459.49  230.568   78.697   1.0364   81.518   1.4571 -2.821587 1.788084 
1 1 1  -18   20    3 o   63.392   0.6733  3899.78   82.733  3848.33  113.725  3957.61  120.580   62.949   0.9307   63.834   0.9731 -0.8857002 1.346513 
1 1 1  -18   20    4 o   81.806   0.7579  6498.35  120.214  6454.42  165.872  6546.96  174.469   81.516   1.0482   82.095   1.0948 -0.5793304 1.515722 
1 1 1  -18   20    5 o  152.083   1.1882 22511.37  350.176 22812.21  483.059 22178.21  508.357  153.165   1.6247  151.002   1.7343 2.163116 2.376436 
1 1 1  -18   20    6 o   87.451   0.8022  7429.33  136.158  7442.87  194.460  7416.30  190.708   87.528   1.1445   87.373   1.1244 0.1548920 1.604430 
1 1 1  -18   20    7 o   87.883   0.8054  7503.75  137.381  7396.85  194.239  7610.74  194.333   87.256   1.1468   88.510   1.1311 -1.253700 1.610715 
1 1 1  -18   20    8 o   98.094   0.8822  9344.93  167.919  9161.29  233.493  9541.65  241.664   97.097   1.2388   99.091   1.2564 -1.993515 1.764386 
1 1 1  -18   20    9 o  151.530   1.3155 22347.16  386.960 22352.64  547.052 22341.67  547.437  151.549   1.8596  151.511   1.8613 0.3756714E-01 2.631069 
1 1 1  -18   20   10 o   74.419   0.7182  5376.71  103.716  5252.61  144.390  5509.00  149.075   73.533   1.0116   75.305   1.0198 -1.772675 1.436393 
1 1 1  -18   20   11 o   59.664   0.8053  3446.29   86.232  3493.04  155.504  3425.53  103.624   59.941   1.3364   59.386   0.8989 0.5551605 1.610625 
1 1 1  -18   20   12 o   57.555   0.8063  3229.26   81.900  3194.25  151.172  3243.80   97.438   57.319   1.3587   57.791   0.8686 -0.4718361 1.612564 
1 1 1  -18   20   13 f   55.173   0.8805  2952.83   90.854  2982.62  150.507  2935.76  113.961   55.380   1.4000   54.966   1.0681 0.4143066 1.760910 
1 1 1  -18   20   14 o   35.824   0.9747  1273.35   59.405  1195.90  114.754  1301.71   69.432   35.045   1.6868   36.602   0.9772 -1.556553 1.949454 
1 1 1  -18   20   15 o   8.2366   2.1206   55.537   45.574 -65.0574  101.805   85.761   50.966   7.2066   3.2866   9.2666   2.6807 -2.060014 4.241229 
1 1 1  -18   20   16 o   87.403   1.1415  7446.06  193.266  7318.87  281.168  7559.98  266.094   86.685   1.6709   88.122   1.5556 -1.436859 2.282935 
1 1 1  -18   20   17 o   22.236   1.2480  533.603   39.788  406.987   91.475  563.146   44.186   20.399   2.3101   24.072   0.9456 -3.672729 2.496095 
1 1 1  -18   20   18 f  120.892   1.3228 14329.81  291.037 14114.82  507.332 14435.26  355.316  120.079   2.1765  121.705   1.5040 -1.625664 2.645578 
1 1 1  -18   20   19 o   71.826   0.9260  5134.05  117.078  4764.78  213.338  5293.19  140.052   69.879   1.5727   73.772   0.9780 -3.893082 1.852010 
1 1 1  -18   20   20 o   40.090   0.9059  1585.15   56.352  1535.38  124.993  1597.85   63.132   39.638   1.6244   40.541   0.8022 -0.9021187 1.811730 
1 1 1  -18   20   21 o   45.099   0.8803  1966.44   63.924  2014.52  136.736  1953.00   72.313   45.388   1.5519   44.809   0.8314 0.5792160 1.760582 
1 1 1  -18   20   22 o   43.761   0.8448  1865.28   60.951  1874.64  125.480  1862.39   69.730   43.772   1.4768   43.750   0.8211 0.2190781E-01 1.689687 
1 1 1  -18   20   23 o   29.218   1.1376  860.722   51.036  803.370  113.434  875.278   57.146   28.478   2.0520   29.959   0.9826 -1.481640 2.275143 
1 1 1  -18   20   24 o   16.158   1.8884  255.309   47.717  293.047  103.810  245.200   53.729   16.569   3.3429   15.747   1.7578 0.8224401 3.776842 
1 1 1  -18   20   25 o   26.141   1.1310  694.289   51.288  629.243   94.866  721.153   60.967   25.146   1.9435   27.137   1.1574 -1.990707 2.261975 
1 1 1  -18   20   26 o   21.843   1.3482  467.453   51.232  498.521   98.238  455.847   60.044   22.196   2.2801   21.490   1.4393 0.7056160 2.696370 
1 1 1  -18   20   27 o   12.123   2.1816  148.023   49.407  211.264   86.667  117.574   60.136   13.818   3.2801   10.427   2.8772 3.391615 4.363150 
1 1 1  -18   20   28 o   19.671   1.5307  384.780   56.337  438.911   95.380  355.777   69.816   20.594   2.3859   18.748   1.9184 1.845501 3.061486 
1 1 1  -18   21    1 o   53.686   0.6453  2802.38   67.137  2864.13   92.917  2734.93   97.113   54.307   0.8814   53.066   0.9428 1.241184 1.290613 
1 1 1  -18   21    2 o   90.799   0.8086  8008.65  142.375  7988.76  196.890  8030.46  206.126   90.682   1.1185   90.915   1.1680 -0.2326050 1.617153 
1 1 1  -18   21    3 o   55.976   0.6444  3042.75   69.915  3038.71   96.306  3047.26  101.660   55.938   0.8869   56.014   0.9349 -0.7678604E-01 1.288705 
1 1 1  -18   21    4 o   39.375   0.6356  1505.17   48.441  1499.24   66.006  1512.09   71.314   39.292   0.8654   39.458   0.9311 -0.1663704 1.271134 
1 1 1  -18   21    5 o   68.647   0.6908  4570.64   91.982  4408.13  127.136  4749.12  133.242   67.369   0.9722   69.925   0.9816 -2.556648 1.381554 
1 1 1  -18   21    6 o   48.024   0.6200  2237.76   57.770  2296.99   83.432  2183.21   80.069   48.633   0.8838   47.414   0.8699 1.219322 1.240093 
1 1 1  -18   21    7 o   53.711   0.6161  2801.82   64.230  2742.60   90.750  2861.27   90.920   53.142   0.8797   54.280   0.8629 -1.138153 1.232274 
1 1 1  -18   21    8 o   40.413   0.6078  1586.61   47.653  1571.05   68.460  1601.23   66.371   40.220   0.8769   40.606   0.8420 -0.3855133 1.215685 
1 1 1  -18   21    9 o   98.499   0.8878  9428.66  169.745  9357.26  238.874  9501.49  241.255   98.123   1.2541   98.876   1.2570 -0.7530289 1.775586 
1 1 1  -18   21   10 o   72.039   0.6935  5040.25   96.966  4978.25  135.670  5105.00  138.639   71.587   0.9763   72.492   0.9852 -0.9049988 1.387023 
1 1 1  -18   21   11 o  105.589   1.1657 10911.29  225.508 10657.08  387.267 11041.71  277.389  104.608   1.9071  106.570   1.3409 -1.962273 2.331325 
1 1 1  -18   21   12 o   90.167   1.0313  7868.96  168.052  8010.60  299.502  7803.87  203.023   90.724   1.7006   89.610   1.1671 1.113815 2.062612 
1 1 1  -18   21   13 o   33.094   1.0257  1082.16   55.950  1033.79  113.798  1097.58   64.252   32.578   1.7995   33.610   0.9848 -1.031891 2.051320 
1 1 1  -18   21   14 o   79.820   1.0756  6185.65  165.283  6307.78  251.494  6092.79  219.292   80.500   1.6094   79.140   1.4274 1.359467 2.151239 
1 1 1  -18   21   15 o   60.680   0.9283  3593.98  106.622  3521.71  169.995  3640.84  136.896   60.161   1.4557   61.199   1.1523 -1.037800 1.856565 
1 1 1  -18   21   16 o   50.177   0.8798  2444.31   81.776  2463.30  138.356  2434.11  101.380   50.312   1.4166   50.043   1.0436 0.2689476 1.759559 
1 1 1  -18   21   17 o   43.767   0.7908  1837.53   56.656  1910.08  118.889  1816.21   64.444   44.296   1.3827   43.238   0.7678 1.057861 1.581537 
1 1 1  -18   21   18 o   71.164   0.9139  5019.54  114.508  4719.91  209.357  5147.43  136.780   69.571   1.5502   72.758   0.9685 -3.186684 1.827868 
1 1 1  -18   21   19 o   59.304   0.8738  3399.91   85.965  3474.61  176.187  3376.57   98.483   59.675   1.5209   58.932   0.8609 0.7429390 1.747678 
1 1 1  -18   21   20 o   11.494   2.2256  118.165   39.479  159.263  104.299  111.292   42.653   12.536   3.8847   10.452   2.1732 2.083998 4.451263 
1 1 1  -18   21   21 o   46.127   0.8759  2040.84   62.911  2133.81  141.555  2017.95   70.227   46.704   1.5614   45.551   0.7942 1.153053 1.751775 
1 1 1  -18   21   22 o   26.853   1.0429  729.987   44.921  662.959   93.541  750.079   51.213   25.957   1.8565   27.749   0.9507 -1.792440 2.085757 
1 1 1  -18   21   23 o   18.117   1.5242  284.391   45.347  409.922  101.015  252.710   50.747   20.208   2.5751   16.026   1.6312 4.181644 3.048323 
1 1 1  -18   21   24 o   41.708   0.8934  1697.72   61.473  1719.57  126.557  1690.98   70.327   41.775   1.5606   41.642   0.8700 0.1335449 1.786758 
1 1 1  -18   21   25 o   7.5806   2.2031   31.329   47.956 -19.6098  101.484   45.973   54.414   7.6799   3.4093   7.4812   2.7915 0.1986613 4.406281 
1 1 1  -18   21   26 o   18.719   1.7138  382.334   51.387  315.210   98.341  407.545   60.270   17.147   3.0671   20.291   1.5302 -3.143724 3.427618 
1 1 1  -18   21   27 o   22.900   1.2270  511.189   50.987  561.196   91.495  488.664   61.406   23.584   1.9986   22.216   1.4239 1.367544 2.453918 
1 1 1  -18   21   28 o   21.411   1.3959  465.254   53.834  467.206   95.668  464.350   65.124   21.262   2.3179   21.560   1.5560 -0.2981625 2.791731 
1 1 1  -18   22    1 o   34.528   0.6912  1152.85   45.931  1120.74   60.724  1195.79   70.219   33.970   0.9209   35.086   1.0310 -1.116013 1.382381 
1 1 1  -18   22    2 o   64.592   0.6772  4043.37   84.773  3907.97  115.885  4199.25  124.336   63.432   0.9411   65.752   0.9741 -2.319942 1.354499 
1 1 1  -18   22    3 o   76.899   0.7228  5743.42  107.858  5720.52  150.329  5767.73  154.840   76.742   1.0091   77.056   1.0352 -0.3144302 1.445646 
1 1 1  -18   22    4 o   14.068   1.3981  191.573   38.035  180.893   51.150  204.784   56.886   13.633   1.9329   14.503   2.0206 -0.8704500 2.796219 
1 1 1  -18   22    5 o   72.137   0.7063  5053.81   98.900  5102.36  141.027  5006.83  138.731   72.477   1.0024   71.796   0.9954 0.6813354 1.412679 
1 1 1  -18   22    6 o   66.110   0.6793  4244.93   87.144  4240.19  121.596  4249.94  124.953   66.073   0.9480   66.148   0.9731 -0.7465363E-01 1.358590 
1 1 1  -18   22    7 o   79.733   0.7575  6176.16  117.246  6208.12  165.659  6144.09  165.963   79.940   1.0675   79.526   1.0751 0.4138107 1.515066 
1 1 1  -18   22    8 o   99.489   0.8965  9619.97  173.129  9624.56  245.256  9615.40  244.428   99.513   1.2696   99.466   1.2659 0.4698944E-01 1.792917 
1 1 1  -18   22    9 o   36.515   0.5966  1294.89   42.290  1279.99   59.533  1310.05   60.083   36.303   0.8448   36.727   0.8428 -0.4238625 1.193275 
1 1 1  -18   22   10 o   92.009   0.8357  8227.03  149.245  8195.73  209.661  8259.19  212.496   91.832   1.1761   92.186   1.1875 -0.3537064 1.671338 
1 1 1  -18   22   11 o   63.852   0.8452  3956.74   95.357  3975.87  176.346  3948.84  113.359   63.943   1.4207   63.760   0.9159 0.1830673 1.690351 
1 1 1  -18   22   12 o   49.587   0.8334  2345.73   69.914  2480.36  140.349  2301.29   80.629   50.499   1.4317   48.675   0.8533 1.823860 1.666757 
1 1 1  -18   22   13 o  105.341   1.3336 10795.83  272.052 11064.38  400.705 10566.18  370.541  106.543   1.9375  104.140   1.8330 2.403160 2.667124 
1 1 1  -18   22   14 o   56.331   0.9093  3115.00   95.953  2969.87  155.953  3203.41  121.719   55.250   1.4541   57.411   1.0922 -2.161037 1.818589 
1 1 1  -18   22   15 o   79.933   1.0722  6213.55  165.262  6267.38  248.906  6171.12  221.005   80.230   1.5982   79.637   1.4296 0.5933380 2.144324 
1 1 1  -18   22   16 o   45.691   0.8437  2049.80   58.555  1998.99  133.886  2061.81   65.112   45.310   1.5222   46.073   0.7280 -0.7633476 1.687365 
1 1 1  -18   22   17 o   35.393   0.8563  1265.30   46.847  1142.32  102.577  1297.71   52.660   34.237   1.5434   36.548   0.7422 -2.311222 1.712631 
1 1 1  -18   22   18 o   91.480   1.0542  8223.85  173.329  7988.96  308.258  8332.44  209.602   90.435   1.7559   92.524   1.1670 -2.088486 2.108379 
1 1 1  -18   22   19 o   72.409   0.9206  5118.38  115.418  5090.44  220.078  5128.97  135.555   72.206   1.5701   72.613   0.9617 -0.4071732 1.841256 
1 1 1  -18   22   20 o   18.108   1.6075  353.292   38.743  290.255   94.775  365.939   42.451   16.835   3.0106   19.381   1.1284 -2.545702 3.215095 
1 1 1  -18   22   21 o   23.070   1.3156  474.219   41.908  594.984  114.342  455.478   45.043   24.519   2.4023   21.621   1.0732 2.898773 2.631159 
1 1 1  -18   22   22 o   17.460   1.7097  316.327   41.378  294.184   99.443  320.963   45.504   16.801   3.1652   18.119   1.2938 -1.317236 3.419379 
1 1 1  -18   22   23 o   6.9298   1.9628   26.035   40.679 -59.9718   84.860   51.695   46.352   6.3611   2.9375   7.4984   2.6040 -1.137300 3.925523 
1 1 1  -18   22   24 o   12.573   2.1070  187.016   44.056  112.050  100.808  204.715   48.981   10.761   3.8317   14.386   1.7540 -3.624470 4.214097 
1 1 1  -18   22   25 o   27.294   1.2811  824.625   53.097  602.624  111.179  890.221   60.435   24.423   2.3451   30.166   1.0321 -5.743032 2.562154 
1 1 1  -18   22   26 f   17.335   1.9022  321.344   51.773  299.664  105.690  328.189   59.387   16.507   3.4111   18.163   1.6844 -1.655373 3.804304 
1 1 1  -18   22   27 o   10.559   2.3045  126.435   49.881   84.061  102.388  139.622   57.117   9.7314   3.7807   11.387   2.6360 -1.655895 4.608955 
1 1 1  -18   22   28 o   27.218   1.2993  760.411   57.919  725.123  117.830  771.654   66.509   26.496   2.2910   27.941   1.2263 -1.445017 2.598507 
1 1 1  -18   23    1 o   36.896   0.7618  1314.97   53.122  1290.26   67.489  1355.21   86.124   36.447   0.9539   37.346   1.1880 -0.8985596 1.523583 
1 1 1  -18   23    2 f   84.787   0.7836  6985.80  128.933  7142.64  181.915  6827.50  182.765   85.744   1.0929   83.829   1.1231 1.915146 1.567148 
1 1 1  -18   23    3 o   14.781   1.5199  230.786   39.586  292.377   52.736  151.283   59.915   17.339   1.5668   12.222   2.6050 5.117310 3.039884 
1 1 1  -18   23    4 o   43.524   0.6243  1839.58   52.735  1846.13   75.433  1833.33   73.752   43.599   0.8913   43.448   0.8745 0.1508942 1.248631 
1 1 1  -18   23    5 o   48.236   0.6181  2261.58   57.709  2285.58   78.888  2233.95   84.641   48.513   0.8377   47.960   0.9092 0.5535393 1.236253 
1 1 1  -18   23    6 o   63.055   0.6627  3861.45   81.113  3837.94  113.799  3885.74  115.644   62.860   0.9326   63.250   0.9419 -0.3897629 1.325480 
1 1 1  -18   23    7 o   74.165   0.7274  5343.58  104.715  5371.57  147.833  5315.40  148.345   74.360   1.0242   73.969   1.0331 0.3904037 1.454744 
1 1 1  -18   23    8 o   20.741   0.9094  418.155   36.606  417.982   51.295  418.335   52.255   20.737   1.2743   20.745   1.2976 -0.8190155E-02 1.818713 
1 1 1  -18   23    9 o  109.564   0.9714 11671.74  206.604 11659.28  291.467 11684.32  292.901  109.506   1.3712  109.622   1.3764 -0.1168137 1.942849 
1 1 1  -18   23   10 o   11.292   1.4931  130.776   31.382   94.809   45.916  162.303   42.989   9.6708   2.4446   12.914   1.7149 -3.243109 2.986155 
1 1 1  -18   23   11 o   42.284   0.8485  1687.34   56.650  1825.36  126.224  1652.52   63.393   43.319   1.5011   41.250   0.7917 2.069004 1.697052 
1 1 1  -18   23   12 o   38.897   0.9067  1497.09   55.286  1427.24  120.542  1515.70   62.216   38.291   1.6217   39.503   0.8113 -1.212257 1.813376 
1 1 1  -18   23   13 o   38.671   0.9571  1508.53   61.699  1348.19  121.251  1564.55   71.673   37.212   1.6786   40.130   0.9201 -2.918793 1.914191 
1 1 1  -18   23   14 o   30.600   1.0802  886.754   51.475  952.919  116.625  870.746   57.365   31.265   1.9216   29.935   0.9872 1.330347 2.160358 
1 1 1  -18   23   15 o   80.813   1.0839  6349.19  168.663  6426.00  255.955  6290.24  224.232   81.229   1.6233   80.396   1.4368 0.8329620 2.167805 
1 1 1  -18   23   16 o   37.685   0.8754  1373.54   47.300  1393.48  117.530  1369.68   51.670   37.818   1.6010   37.552   0.7088 0.2661018 1.750890 
1 1 1  -18   23   17 o   40.006   0.8676  1600.97   51.106  1491.76  120.160  1625.09   56.468   39.112   1.5826   40.899   0.7112 -1.786869 1.735111 
1 1 1  -18   23   18 o   21.118   1.4347  413.431   39.236  469.025  112.981  405.807   41.840   21.814   2.6682   20.423   1.0554 1.391005 2.869305 
1 1 1  -18   23   19 o   29.617   1.0701  854.814   43.369  858.711  113.680  854.150   46.917   29.595   1.9788   29.640   0.8154 -0.4500389E-01 2.140235 
1 1 1  -18   23   20 o   20.371   1.5447  442.576   39.361  364.947  108.514  454.337   42.238   19.140   2.9207   21.602   1.0073 -2.462109 3.089494 
1 1 1  -18   23   21 o   32.889   0.9544  1003.90   46.103  1139.66  114.066  977.390   50.404   34.083   1.7241   31.695   0.8192 2.388487 1.908794 
1 1 1  -18   23   22 o   9.5466   2.1458   97.031   40.224   27.962  103.090  109.435   43.687   8.7886   3.6562   10.304   2.2473 -1.515806 4.291627 
1 1 1  -18   23   23 o   21.503   1.1638  417.500   40.485  528.250   90.048  389.443   45.324   23.056   2.0120   19.951   1.1703 3.105251 2.327589 
1 1 1  -18   23   24 o   24.728   1.1936  601.238   45.867  609.467  102.381  599.172   51.304   24.701   2.1352   24.756   1.0676 -0.5526543E-01 2.387259 
1 1 1  -18   23   25 o   21.948   1.4971  512.806   49.076  436.924  109.545  531.860   54.893   20.622   2.7365   23.275   1.2150 -2.653208 2.994120 
1 1 1  -18   23   26 o   13.420   2.2259  213.849   50.274  147.531  110.259  231.256   56.488   11.657   4.0181   15.184   1.9165 -3.526166 4.451741 
1 1 1  -18   23   27 o   7.6352   2.2161   36.198   50.111 -34.8960  106.626   56.352   56.771   7.4448   3.3829   7.8256   2.8635 -0.3807325 4.432136 
1 1 1  -18   24    1 o   21.123   1.0091  428.798   41.106  390.972   54.448  478.930   62.682   20.053   1.3987   22.193   1.4550 -2.139841 2.018263 
1 1 1  -18   24    2 o   86.335   0.8036  7242.45  134.669  7226.81  190.856  7257.95  190.048   86.242   1.1401   86.428   1.1328 -0.1861649 1.607145 
1 1 1  -18   24    3 o  104.342   0.9261 10582.73  187.480 10571.12  269.488 10593.61  260.989  104.284   1.3312  104.400   1.2878 -0.1158676 1.852209 
1 1 1  -18   24    4 o   31.063   0.7107  938.828   42.756  964.291   59.027  910.722   62.015   31.508   0.9651   30.618   1.0434 0.8897057 1.421305 
1 1 1  -18   24    5 o   98.817   0.8963  9489.38  171.910  9612.42  244.952  9369.96  241.322   99.448   1.2689   98.186   1.2661 1.261940 1.792525 
1 1 1  -18   24    6 o   32.854   0.6772  1048.73   43.177  1061.40   60.665  1035.72   61.467   33.056   0.9454   32.653   0.9697 0.4030304 1.354333 
1 1 1  -18   24    7 o  106.076   0.9477 10938.92  195.150 10887.47  275.017 10991.10  276.960  105.825   1.3388  106.327   1.3419 -0.5020370 1.895499 
1 1 1  -18   24    8 o   47.934   0.6041  2229.21   56.085  2197.17   76.507  2266.42   82.458   47.564   0.8286   48.305   0.8794 -0.7417717 1.208273 
1 1 1  -18   24    9 o   38.765   0.6041  1458.59   45.447  1418.45   63.351  1501.15   65.233   38.216   0.8540   39.314   0.8548 -1.098221 1.208269 
1 1 1  -18   24   10 o   56.145   0.6160  3058.11   67.091  2920.37   93.158  3206.53   96.704   54.833   0.8752   57.457   0.8670 -2.624157 1.231966 
1 1 1  -18   24   11 o   21.111   1.3729  406.327   40.449  475.876  107.463  394.847   43.660   22.067   2.5087   20.156   1.1159 1.910810 2.745724 
1 1 1  -18   24   12 o   36.431   0.9389  1298.17   51.367  1279.01  119.508  1302.51   56.891   36.242   1.6987   36.620   0.8003 -0.3775597 1.877784 
1 1 1  -18   24   13 o   31.446   1.0447  931.713   50.098  1011.99  117.006  913.692   55.437   32.226   1.8704   30.667   0.9313 1.559284 2.089407 
1 1 1  -18   24   14 o   85.203   1.1317  7079.00  186.255  6959.29  276.237  7178.78  252.208   84.527   1.6835   85.879   1.5129 -1.351738 2.263423 
1 1 1  -18   24   15 o   62.578   0.9454  3828.20  111.563  3732.92  179.462  3888.21  142.428   61.921   1.4930   63.235   1.1603 -1.313240 1.890887 
1 1 1  -18   24   16 f   18.100   1.3930  251.000   32.492  423.028  102.404  231.742   34.263   20.766   2.5404   15.435   1.1435 5.330495 2.785921 
1 1 1  -18   24   17 o   29.160   0.9226  822.599   37.939  836.337   96.234  820.071   41.283   29.269   1.6938   29.052   0.7320 0.2173862 1.845194 
1 1 1  -18   24   18 o   10.810   2.2118   92.657   33.576  154.533  105.966   85.752   35.400   12.442   3.9252   9.1780   2.0398 3.263925 4.423628 
1 1 1  -18   24   19 o   55.936   0.8335  3060.26   76.520  3026.52  157.955  3070.60   87.469   55.675   1.4615   56.196   0.8018 -0.5206757 1.667034 
1 1 1  -18   24   20 o   47.775   0.8565  2199.91   63.120  2268.91  143.326  2183.31   70.306   48.166   1.5329   47.384   0.7644 0.7824211 1.712913 
1 1 1  -18   24   21 f   19.808   1.3818  395.135   37.665  374.200   96.326  398.913   40.924   19.386   2.5597   20.230   1.0421 -0.8436356 2.763676 
1 1 1  -18   24   22 o   22.252   1.3978  504.167   40.866  470.589  109.826  509.563   44.027   21.648   2.6135   22.856   0.9923 -1.208124 2.795560 
1 1 1  -18   24   23 o   8.1311   2.2185   31.059   39.324   99.156   95.718   17.231   43.133   10.299   3.7258   5.9633   2.4093 4.335529 4.436945 
1 1 1  -18   24   24 o   38.896   0.8615  1500.71   55.314  1449.41  112.403  1517.11   63.540   38.348   1.5100   39.444   0.8299 -1.095852 1.723005 
1 1 1  -18   24   25 o   7.7178   2.2212   34.309   44.737   35.137   97.657   34.089   50.328   8.5720   3.5616   6.8636   2.6551 1.708383 4.442382 
1 1 1  -18   24   26 o   13.925   2.0924  179.825   47.228  275.545  103.006  154.347   53.143   15.730   3.4669   12.120   2.3436 3.610291 4.184705 
1 1 1  -18   24   27 o   10.163   2.4190   99.835   50.278  145.766  102.127   85.141   57.763   11.362   3.8684   8.9642   2.9055 2.397525 4.838078 
1 1 1  -18   25    1 o  105.941   0.9390 10900.53  192.932 11148.27  280.088 10676.85  266.141  107.083   1.3474  104.799   1.3082 2.283440 1.878057 
1 1 1  -18   25    2 o   92.480   0.8474  8312.21  152.116  8287.42  215.821  8336.68  214.434   92.343   1.2040   92.618   1.1927 -0.2751617 1.694744 
1 1 1  -18   25    3 o   77.054   0.7502  5768.74  112.187  5771.63  156.955  5765.73  160.414   77.075   1.0491   77.034   1.0727 0.4117584E-01 1.500429 
1 1 1  -18   25    4 o   67.337   0.6919  4404.53   90.431  4378.05  127.346  4431.48  128.439   67.132   0.9772   67.541   0.9796 -0.4082260 1.383701 
1 1 1  -18   25    5 o  105.390   0.9517 10794.22  194.655 10623.13  271.452 10975.33  279.284  104.532   1.3378  106.248   1.3541 -1.716537 1.903485 
1 1 1  -18   25    6 o   31.731   0.6958  978.565   42.840  953.963   60.951  1002.58   60.226   31.336   1.0020   32.126   0.9657 -0.7897015 1.391647 
1 1 1  -18   25    7 o   55.531   0.6297  2994.95   67.823  2989.63   93.924  3000.74   98.041   55.480   0.8721   55.581   0.9087 -0.1013374 1.259478 
1 1 1  -18   25    8 o   92.403   0.8455  8297.46  151.655  8225.83  213.354  8370.61  215.608   92.000   1.1947   92.806   1.1968 -0.8058548 1.691033 
1 1 1  -18   25    9 o   52.180   0.6151  2644.65   62.288  2719.65   88.390  2570.68   87.791   52.916   0.8605   51.445   0.8791 1.470432 1.230157 
1 1 1  -18   25   10 o   36.203   0.6026  1270.14   42.297  1193.12   58.304  1355.70   61.453   35.047   0.8570   37.359   0.8474 -2.311993 1.205206 
1 1 1  -18   25   11 o   66.985   0.8927  4415.31  106.472  4230.18  191.952  4497.58  127.962   65.934   1.4997   68.036   0.9689 -2.102303 1.785491 
1 1 1  -18   25   12 o   87.370   1.0203  7446.64  160.997  7370.23  285.268  7482.36  195.025   87.002   1.6891   87.737   1.1451 -0.7348404 2.040667 
1 1 1  -18   25   13 o   26.361   1.2470  714.189   44.127  626.190  114.329  729.592   47.833   25.318   2.3263   27.404   0.8992 -2.086246 2.494061 
1 1 1  -18   25   14 o   21.574   1.3495  374.409   38.886  573.037  115.303  348.917   41.306   24.203   2.4542   18.945   1.1232 5.258337 2.699005 
1 1 1  -18   25   15 o   23.171   1.2807  503.305   31.979  548.749  112.424  499.304   33.358   23.671   2.4467   22.671   0.7580 0.9997234 2.561390 
1 1 1  -18   25   16 o   24.621   1.1103  547.046   32.999  649.287  104.277  535.668   34.787   25.761   2.0852   23.480   0.7632 2.281166 2.220531 
1 1 1  -18   25   17 o   32.903   0.8704  1037.44   39.581  1078.18  103.462  1030.46   42.840   33.238   1.6035   32.567   0.6776 0.6705093 1.740842 
1 1 1  -18   25   18 o   10.222   2.2393   73.917   30.641  149.487  109.069   67.442   31.926   12.308   3.9929   8.1359   2.0285 4.172386 4.478637 
1 1 1  -18   25   19 o   32.835   0.8842  1022.34   41.135  1094.25  105.020  1009.31   44.707   33.446   1.6176   32.223   0.7147 1.223465 1.768428 
1 1 1  -18   25   20 o   24.620   1.2895  623.948   38.753  558.051  112.446  632.830   41.282   23.737   2.4404   25.504   0.8339 -1.767248 2.578904 
1 1 1  -18   25   21 o   32.247   0.9775  1032.74   44.202  995.841  111.242  1039.66   48.167   31.807   1.8017   32.688   0.7591 -0.8807278 1.955093 
1 1 1  -18   25   22 o   24.881   1.2707  677.404   41.461  522.976  106.088  705.243   45.043   22.861   2.3906   26.902   0.8625 -4.040758 2.541462 
1 1 1  -18   25   23 o   27.936   1.1756  829.553   45.736  685.733  111.042  858.936   50.191   26.194   2.1838   29.678   0.8712 -3.484306 2.351214 
1 1 1  -18   25   24 o   51.862   0.8206  2676.50   73.043  2547.67  139.488  2725.17   85.738   50.868   1.4126   52.855   0.8356 -1.986771 1.641272 
1 1 1  -18   25   25 o   15.058   1.9442  236.078   43.732  241.174   99.649  234.863   48.669   14.735   3.5302   15.381   1.6300 -0.6466360 3.888352 
1 1 1  -18   25   26 o   17.506   1.5373  302.181   45.448  330.770   91.579  292.839   52.350   17.852   2.6427   17.161   1.5715 0.6910477 3.074675 
1 1 1  -18   25   27 o   11.094   2.2836  116.631   47.750  201.347   93.854   87.045   55.464   13.179   3.5771   9.0083   2.8396 4.170877 4.567121 
1 1 1  -18   26    1 f   48.247   0.6602  2260.99   61.792  2257.56   85.853  2264.67   89.007   48.210   0.9174   48.284   0.9496 -0.7448959E-01 1.320390 
1 1 1  -18   26    2 o   27.788   0.7931  740.950   42.501  644.180   56.747  864.580   64.141   25.747   1.1354   29.829   1.1077 -4.081949 1.586258 
1 1 1  -18   26    3 f   47.092   0.6400  2154.67   58.471  2246.39   82.867  2063.73   82.516   48.091   0.8877   46.093   0.9222 1.998039 1.280018 
1 1 1  -18   26    4 o  137.029   1.2030 18272.97  319.972 18153.58  449.999 18395.08  455.061  136.578   1.6973  137.481   1.7051 -0.9037628 2.405918 
1 1 1  -18   26    5 o  115.434   1.0253 12958.30  229.738 12946.49  324.351 12970.20  325.449  115.381   1.4482  115.487   1.4517 -0.1050720 2.050528 
1 1 1  -18   26    6 o   45.902   0.6171  2042.67   54.872  1990.99   74.846  2102.73   80.684   45.276   0.8516   46.528   0.8933 -1.251617 1.234189 
1 1 1  -18   26    7 o   89.898   0.8304  7853.18  144.911  7766.65  203.613  7942.00  206.283   89.397   1.1733   90.400   1.1755 -1.003349 1.660886 
1 1 1  -18   26    8 o   23.164   0.8123  520.083   36.472  484.496   50.235  559.749   53.036   22.328   1.1590   24.000   1.1384 -1.671978 1.624614 
1 1 1  -18   26    9 o   38.489   0.6051  1438.98   45.203  1437.12   64.379  1440.80   63.483   38.464   0.8622   38.514   0.8491 -0.4969788E-01 1.210160 
1 1 1  -18   26   10 o   69.673   0.6913  4711.73   93.436  4572.68  129.461  4862.91  134.991   68.602   0.9722   70.745   0.9830 -2.142784 1.382514 
1 1 1  -18   26   11 o   64.782   1.0518  4084.65  132.182  4124.71  184.292  4042.21  189.693   65.113   1.4581   64.452   1.5162 0.6606445 2.103508 
1 1 1  -18   26   12 o   73.093   0.9103  5171.14  117.630  5254.88  217.917  5136.70  139.737   73.480   1.5278   72.707   0.9901 0.7731781 1.820535 
1 1 1  -18   26   13 o   31.686   1.0630  986.871   49.139  962.652  118.284  991.922   54.021   31.418   1.9395   31.953   0.8709 -0.5349178 2.126048 
1 1 1  -18   26   14 o   28.039   0.6406  763.501   34.869   0.0000   0.0000  763.501   34.869  ?   ?    28.039   0.6406      ?      ? 
1 1 1  -18   26   15 o   7.6981   2.1128   38.322   26.421   26.219  105.900   39.125   27.284   9.0367   3.7279   6.3596   1.9895 2.677108 4.225612 
1 1 1  -18   26   16 o   28.598   0.9906  734.559   33.695  878.994  108.517  719.148   35.447   29.988   1.8641   27.208   0.6711 2.780542 1.981280 
1 1 1  -18   26   17 o   32.239   0.9206  950.776   36.988  1095.89  111.954  932.995   39.189   33.489   1.7222   30.989   0.6515 2.499277 1.841281 
1 1 1  -18   26   18 o   27.714   1.1107  728.974   35.665  777.736  115.012  723.786   37.515   28.139   2.1056   27.289   0.7082 0.8495560 2.221476 
1 1 1  -18   26   19 o   11.755   2.0660  128.826   29.914  146.786  103.391  127.185   31.251   12.098   3.8837   11.411   1.4108 0.6866102 4.132019 
1 1 1  -18   26   20 f   30.726   1.0775  927.772   39.916  919.576  120.750  928.777   42.293   30.547   2.0363   30.906   0.7050 -0.3586063 2.154913 
1 1 1  -18   26   21 o   33.089   0.8843  1078.39   43.252  1058.55  102.429  1082.70   47.715   32.822   1.6077   33.356   0.7369 -0.5337906 1.768501 
1 1 1  -18   26   22 o   27.051   1.0952  700.104   40.061  748.909  107.921  692.304   43.144   27.449   2.0254   26.653   0.8339 0.7963505 2.190328 
1 1 1  -18   26   23 o   5.9021   1.7985  -4.8189   38.772 -253.8913  107.332   32.559   41.579   5.3191   2.6464   6.4850   2.4361 -1.165911 3.596957 
1 1 1  -18   26   24 o   34.375   0.9855  1154.70   51.304  1178.98  118.750  1149.12   56.887   34.438   1.7764   34.313   0.8541 0.1254005 1.971015 
1 1 1  -18   26   25 o   18.793   1.8338  455.340   43.537  247.219   99.512  504.608   48.417   14.908   3.4988   22.679   1.0998 -7.771482 3.667595 
1 1 1  -18   26   26 o   10.914   2.1592  107.006   43.529  198.056   86.874   76.484   50.299   13.277   3.3661   8.5501   2.7051 4.726730 4.318340 
1 1 1  -18   26   27 f   7.7224   2.2083   25.001   46.916   86.982   90.242   2.0438   54.921   9.4622   3.5813   5.9826   2.5847 3.479597 4.416598 
1 1 1  -18   27    1 o  119.967   1.0623 13998.24  247.383 13968.06  348.043 14029.05  351.691  119.837   1.4962  120.096   1.5086 -0.2592545 2.124682 
1 1 1  -18   27    2 o  101.970   0.9273 10108.15  183.549 10102.37  258.140 10114.06  261.038  101.941   1.3045  101.999   1.3184 -0.5725861E-01 1.854684 
1 1 1  -18   27    3 o   38.748   0.6818  1459.31   51.198  1473.51   70.565  1443.52   74.396   38.948   0.9333   38.547   0.9942 0.4005775 1.363680 
1 1 1  -18   27    4 f   87.700   0.8172  7470.18  139.087  7687.44  199.365  7264.16  194.138   88.941   1.1547   86.458   1.1568 2.483505 1.634463 
1 1 1  -18   27    5 o   81.092   0.7754  6388.01  122.002  6339.00  169.572  6440.60  175.662   80.771   1.0815   81.413   1.1115 -0.6422195 1.550860 
1 1 1  -18   27    6 o   27.306   0.7492  724.053   39.690  736.328   57.336  712.759   54.997   27.528   1.0730   27.085   1.0460 0.4434032 1.498487 
1 1 1  -18   27    7 o   58.805   0.6507  3354.32   74.224  3225.56  102.592  3495.73  107.518   57.623   0.9172   59.987   0.9233 -2.364319 1.301434 
1 1 1  -18   27    8 o   50.138   0.6113  2438.50   59.451  2354.87   82.150  2530.47   86.145   49.237   0.8595   51.039   0.8695 -1.802212 1.222607 
1 1 1  -18   27    9 o   40.391   0.5794  1585.80   45.384  1552.80   65.190  1616.84   63.221   39.982   0.8399   40.800   0.7982 -0.8177567 1.158753 
1 1 1  -18   27   10 o   29.456   1.0338  868.964   45.502  805.485  104.879  883.683   50.503   28.751   1.8792   30.161   0.8626 -1.409983 2.067675 
1 1 1  -18   27   11 o   62.859   0.8387  3783.17   92.612  3977.83  174.865  3707.29  109.182   63.945   1.4087   61.773   0.9105 2.171528 1.677371 
1 1 1  -18   27   12 o   57.683   0.9034  3247.00   97.730  3193.23  159.754  3279.16  123.545   57.285   1.4366   58.082   1.0958 -0.7969780 1.806838 
1 1 1  -18   27   13 o   55.053   0.8277  2949.15   71.573  2943.74  157.488  2950.56   80.350   54.991   1.4753   55.115   0.7510 -0.1235046 1.655477 
1 1 1  -18   27   14 o   51.753   0.8332  2609.04   65.258  2599.07  150.722  2611.34   72.396   51.657   1.5031   51.849   0.7193 -0.1917839 1.666321 
1 1 1  -18   27   15 o   21.891   1.3244  456.763   25.663  481.212  110.541  455.370   26.384   22.129   2.5733   21.652   0.6277 0.4769039 2.648763 
1 1 1  -18   27   16 o   50.702   0.7733  2395.33   59.763  2675.59  140.566  2333.49   66.027   52.397   1.3820   49.007   0.6941 3.389351 1.546505 
1 1 1  -18   27   17 o   46.265   0.8284  2055.77   54.526  2127.21  137.420  2042.43   59.402   46.683   1.5165   45.848   0.6675 0.8352318 1.656839 
1 1 1  -18   27   18 o   11.306   2.3490  114.597   43.832  152.670  110.290  107.456   47.766   12.379   4.0151   10.232   2.4393 2.146544 4.698009 
1 1 1  -18   27   19 o   24.850   1.0803  595.640   32.435  614.846   98.915  593.326   34.333   24.996   2.0386   24.703   0.7160 0.2927303 2.160626 
1 1 1  -18   27   20 o   41.525   0.8646  1586.53   49.320  1825.45  132.954  1548.41   53.109   43.146   1.5874   39.903   0.6856 3.242756 1.729174 
1 1 1  -18   27   21 o   23.956   1.1808  506.219   35.297  646.368  108.889  489.763   37.312   25.491   2.2005   22.421   0.8573 3.069963 2.361641 
1 1 1  -18   27   22 o   27.519   0.9855  718.789   39.871  783.108   97.448  705.857   43.696   28.129   1.7847   26.909   0.8365 1.219452 1.970995 
1 1 1  -18   27   23 o   47.955   0.8550  2229.45   64.983  2297.19  142.123  2211.54   73.068   48.277   1.5166   47.634   0.7902 0.6426582 1.710095 
1 1 1  -18   27   24 o   14.302   1.9991  152.635   39.874  335.606  112.468  126.330   42.644   17.546   3.4250   11.057   2.0626 6.488473 3.998125 
1 1 1  -18   27   25 o   13.668   2.0889  174.195   41.667  242.774  107.100  161.964   45.230   14.616   3.7549   12.720   1.8317 1.895342 4.177842 
1 1 1  -18   27   26 o   11.119   2.3038  114.506   43.662  186.662  102.459   98.495   48.264   12.675   3.8359   9.5625   2.5524 3.112132 4.607522 
1 1 1  -18   28    1 o   39.703   0.7694  1510.75   57.895  1439.53   73.502  1627.15   93.971   38.492   0.9837   40.914   1.1832 -2.422157 1.538713 
1 1 1  -18   28    2 o   43.639   0.6549  1849.57   55.474  1825.26   77.665  1874.90   79.262   43.346   0.9230   43.932   0.9294 -0.5852737 1.309893 
1 1 1  -18   28    3 o   22.656   0.9510  501.490   41.591  528.326   56.906  470.714   60.939   23.312   1.2575   21.999   1.4270 1.312841 1.902009 
1 1 1  -18   28    4 o  120.163   1.0668 14047.84  248.816 14106.88  350.674 13987.97  353.097  120.419   1.5002  119.907   1.5170 0.5117188 2.133500 
1 1 1  -18   28    5 f   61.063   0.6634  3621.11   78.624  3691.11  112.524  3554.34  109.906   61.639   0.9404   60.487   0.9360 1.152569 1.326861 
1 1 1  -18   28    6 o   77.595   0.7526  5849.70  113.344  5783.02  158.413  5919.64  162.241   77.142   1.0579   78.047   1.0709 -0.9047470 1.505279 
1 1 1  -18   28    7 o   84.870   0.8010  7001.13  131.954  6995.78  185.341  7006.64  187.907   84.838   1.1254   84.902   1.1401 -0.6424713E-01 1.602031 
1 1 1  -18   28    8 o   63.577   0.6569  3926.37   81.064  3872.35  113.785  3982.05  115.517   63.133   0.9285   64.021   0.9295 -0.8879967 1.313787 
1 1 1  -18   28    9 o   36.800   0.5802  1306.84   41.270  1226.55   55.357  1407.32   61.923   35.536   0.8025   38.064   0.8381 -2.527554 1.160315 
1 1 1  -18   28   10 o   36.785   0.8577  1334.36   51.283  1281.19  106.573  1350.39   58.501   36.284   1.5131   37.286   0.8083 -1.002148 1.715444 
1 1 1  -18   28   11 o   50.476   0.8061  2461.89   69.837  2508.92  135.882  2445.01   81.412   50.783   1.3784   50.169   0.8360 0.6137009 1.612101 
1 1 1  -18   28   12 o   20.239   1.2440  382.512   32.148  421.799   93.610  377.259   34.229   20.773   2.3214   19.705   0.8949 1.068041 2.487955 
1 1 1  -18   28   13 o   31.361   1.8961  959.679  115.432  959.679  115.432   0.0000   0.0000   31.361   1.8961  ?   ?       ?      ? 
1 1 1  -18   28   14 o   37.145   1.7129  1346.09  123.507  1346.09  123.507   0.0000   0.0000   37.145   1.7129  ?   ?       ?      ? 
1 1 1  -18   28   15 o   35.641   1.7502  1240.70  121.089  1240.70  121.089   0.0000   0.0000   35.641   1.7502  ?   ?       ?      ? 
1 1 1  -18   28   16 o   74.085   1.5345  5356.01  220.682  5356.01  220.682   0.0000   0.0000   74.085   1.5345  ?   ?       ?      ? 
1 1 1  -18   28   17 o   54.853   1.5261  2938.66  162.499  2938.66  162.499   0.0000   0.0000   54.853   1.5261  ?   ?       ?      ? 
1 1 1  -18   28   18 o   10.850   1.9910  130.812   21.148   70.139  106.760  133.290   21.575   9.9969   3.8671   11.702   0.9498 -1.705298 3.981995 
1 1 1  -18   28   19 o   58.150   0.8299  3259.99   77.404  3366.56  166.796  3230.74   87.384   58.669   1.4646   57.631   0.7811 1.037865 1.659843 
1 1 1  -18   28   20 o   18.847   1.4115  290.744   29.329  431.962  107.452  279.377   30.486   20.761   2.6662   16.933   0.9275 3.828529 2.822963 
1 1 1  -18   28   21 o   24.041   1.3047  560.382   34.784  585.470  116.655  557.934   36.442   24.148   2.4887   23.935   0.7843 0.2126541 2.609322 
1 1 1  -18   28   22 o   7.2175   1.9470   42.932   32.139 -17.1150   87.841   52.213   34.534   7.2149   3.1888   7.2200   2.2350 -0.5089283E-02 3.894078 
1 1 1  -18   28   23 o   11.950   2.0017  171.576   35.195  100.795   96.554  182.421   37.796   10.290   3.7391   13.609   1.4307 -3.319122 4.003444 
1 1 1  -18   28   24 o   14.993   1.9270  196.087   38.980  299.744  108.837  180.833   41.750   16.481   3.5096   13.504   1.5926 2.976126 3.854043 
1 1 1  -18   28   25 f   30.384   1.0850  894.039   48.161  951.829  117.662  882.407   52.786   30.736   1.9721   30.032   0.9055 0.7039433 2.170028 
1 1 1  -18   28   26 o   16.093   1.8772  244.452   43.718  329.389  108.246  227.897   47.790   17.098   3.3813   15.088   1.6317 2.009646 3.754389 
1 1 1  -18   29    1 o   60.200   0.6826  3520.07   79.729  3685.33  113.799  3360.75  111.737   61.588   0.9519   58.812   0.9787 2.776302 1.365275 
1 1 1  -18   29    2 o   27.624   0.8173  741.690   43.610  741.135   58.816  742.368   64.994   27.614   1.0972   27.633   1.2116 -0.1883316E-01 1.634618 
1 1 1  -18   29    3 o   61.175   0.6766  3636.64   80.324  3670.07  112.725  3602.16  114.486   61.461   0.9448   60.888   0.9686 0.5728798 1.353116 
1 1 1  -18   29    4 o   88.510   0.8270  7614.32  142.083  7716.61  202.364  7514.87  199.536   89.096   1.1701   87.924   1.1691 1.172218 1.654028 
1 1 1  -18   29    5 o   9.7893   1.8326   95.410   37.644  143.106   53.322   48.018   53.152   11.895   2.3923   7.6838   2.7769 4.210853 3.665274 
1 1 1  -18   29    6 o   25.631   0.8038  638.886   39.950  646.918   55.435  630.207   57.625   25.799   1.1069   25.462   1.1659 0.3373032 1.607652 
1 1 1  -18   29    7 o   27.583   0.7018  738.865   37.545  698.100   52.491  781.567   53.723   26.804   1.0088   28.362   0.9758 -1.558167 1.403542 
1 1 1  -18   29    8 o   58.690   0.6362  3340.70   72.345  3262.81   98.808  3430.71  106.217   57.955   0.8783   59.425   0.9208 -1.469852 1.272495 
1 1 1  -18   29    9 o   21.272   0.7734  440.630   31.770  498.054   45.327  385.179   44.541   22.639   1.0314   19.906   1.1527 2.732990 1.546802 
1 1 1  -18   29   10 f   81.576   0.9680  6493.90  143.273  6416.96  251.544  6530.85  174.311   81.183   1.5962   81.968   1.0955 -0.7853622 1.935966 
1 1 1  -18   29   11 o   73.851   0.9365  5261.44  124.100  5421.49  224.723  5191.21  148.856   74.621   1.5514   73.081   1.0493 1.539780 1.872922 
1 1 1  -18   29   12 o   29.333   1.8118  839.083  103.169  839.083  103.169   0.0000   0.0000   29.333   1.8118  ?   ?       ?      ? 
1 1 1  -18   29   13 o   52.961   1.4886  2732.49  153.040  2732.49  153.040   0.0000   0.0000   52.961   1.4886  ?   ?       ?      ? 
1 1 1  -18   29   14 o   12.252   4.0674  144.063  112.936  144.063  112.936   0.0000   0.0000   12.252   4.0674  ?   ?       ?      ? 
1 1 1  -18   29   15 o   42.967   1.6021  1801.96  133.623  1801.96  133.623   0.0000   0.0000   42.967   1.6021  ?   ?       ?      ? 
1 1 1  -18   29   16 o   44.310   1.5404  1916.91  132.497  1916.91  132.497   0.0000   0.0000   44.310   1.5404  ?   ?       ?      ? 
1 1 1  -18   29   17 o   32.432   2.0051  1032.94  126.232  1032.94  126.232   0.0000   0.0000   32.432   2.0051  ?   ?       ?      ? 
1 1 1  -18   29   18 o   26.644   2.0811  698.889  107.636  698.889  107.636   0.0000   0.0000   26.644   2.0811  ?   ?       ?      ? 
1 1 1  -18   29   19 o   23.252   2.5029  537.820  112.974  537.820  112.974   0.0000   0.0000   23.252   2.5029  ?   ?       ?      ? 
1 1 1  -18   29   20 o   14.469   1.7267  187.142   24.420  245.843   95.426  183.028   25.261   15.236   3.3203   13.701   0.9498 1.534536 3.453476 
1 1 1  -18   29   21 o   13.233   2.0610  180.774   29.255  178.567  108.503  180.947   30.380   12.866   3.9581   13.600   1.1508 -0.7333584 4.122046 
1 1 1  -18   29   22 o   9.1711   2.2202   54.978   31.595  136.424  101.441   46.228   33.249   11.482   3.8557   6.8600   2.2024 4.622309 4.440384 
1 1 1  -18   29   23 o   33.431   0.9155  982.254   43.524  1279.70  115.461  932.986   46.991   35.932   1.6553   30.931   0.7826 5.000998 1.831029 
1 1 1  -18   29   24 o   10.535   1.8168  152.656   36.099  -3.2886   92.691  180.538   39.193   7.5651   3.3118   13.504   1.4951 -5.939316 3.633675 
1 1 1  -18   29   25 o   18.474   1.5444  326.968   40.080  379.151  104.218  317.910   43.419   18.994   2.8265   17.954   1.2458 1.039812 3.088894 
1 1 1  -18   29   26 o   7.9876   2.2874   34.382   43.044   85.092  105.317   24.213   47.163   9.6832   3.8133   6.2920   2.5273 3.391154 4.574765 
1 1 1  -18   30    1 o   46.621   0.6634  2113.44   59.945  2148.09   82.926  2075.51   86.753   47.023   0.9085   46.219   0.9669 0.8041382 1.326775 
1 1 1  -18   30    2 o   87.828   0.8245  7496.52  140.553  7406.72  196.622  7590.35  200.995   87.291   1.1604   88.365   1.1718 -1.074104 1.649085 
1 1 1  -18   30    3 f   37.641   0.6928  1375.73   50.594  1311.72   70.657  1443.08   72.480   36.742   0.9907   38.539   0.9688 -1.796780 1.385660 
1 1 1  -18   30    4 o   6.4274   1.8910   6.1699   39.786   25.800   54.253 -16.6691   58.519   6.9191   2.7331   5.9356   2.6141 0.9835320 3.781948 
1 1 1  -18   30    5 o   11.987   1.7181  145.689   39.056  170.159   53.514  117.801   57.129   13.209   2.0871   10.766   2.7298 2.442572 3.436222 
1 1 1  -18   30    6 o   41.592   0.6084  1679.68   49.111  1731.60   70.245  1630.04   68.688   42.221   0.8571   40.964   0.8638 1.257103 1.216863 
1 1 1  -18   30    7 o   39.531   0.6134  1517.84   47.035  1512.96   65.203  1523.12   67.916   39.465   0.8511   39.596   0.8836 -0.1309738 1.226827 
1 1 1  -18   30    8 o   40.677   0.5791  1607.47   45.717  1628.14   64.409  1586.48   64.900   40.941   0.8105   40.413   0.8273 0.5278244 1.158115 
1 1 1  -18   30    9 o   69.434   0.6800  4683.37   91.641  4593.42  128.322  4777.00  130.918   68.754   0.9615   70.115   0.9619 -1.360405 1.360021 
1 1 1  -18   30   10 o   30.347   0.9531  864.666   40.674  942.112  105.316  851.089   44.095   31.093   1.7449   29.601   0.7674 1.492733 1.906161 
1 1 1  -18   30   11 o   27.727   1.5100  750.043   79.474  746.447  102.115  755.568  126.567   27.661   1.9018   27.792   2.3460 -0.1314373 3.019997 
1 1 1  -18   30   12 o   36.908   1.5482  1327.27  110.917  1327.27  110.917   0.0000   0.0000   36.908   1.5482  ?   ?       ?      ? 
1 1 1  -18   30   13 o   34.288   1.7875  1148.00  118.978  1148.00  118.978   0.0000   0.0000   34.288   1.7875  ?   ?       ?      ? 
1 1 1  -18   30   14 o   57.502   1.5137  3224.81  168.961  3224.81  168.961   0.0000   0.0000   57.502   1.5137  ?   ?       ?      ? 
1 1 1  -18   30   15 o   72.529   1.5598  5135.18  219.611  5135.18  219.611   0.0000   0.0000   72.529   1.5598  ?   ?       ?      ? 
1 1 1  -18   30   16 f   53.359   1.3637  2777.61  141.254  2777.61  141.254   0.0000   0.0000   53.359   1.3637  ?   ?       ?      ? 
1 1 1  -18   30   17 o   75.104   1.6325  5520.45  238.003  5520.45  238.003   0.0000   0.0000   75.104   1.6325  ?   ?       ?      ? 
1 1 1  -18   30   18 o   30.525   1.8557  915.536  109.962  915.536  109.962   0.0000   0.0000   30.525   1.8557  ?   ?       ?      ? 
1 1 1  -18   30   19 o   11.351   4.1113  118.080  116.598  118.080  116.598   0.0000   0.0000   11.351   4.1113  ?   ?       ?      ? 
1 1 1  -18   30   20 o   8.2554   3.4687   19.556   94.174   19.556   94.174   0.0000   0.0000   8.2554   3.4687  ?   ?       ?      ? 
1 1 1  -18   30   21 o   25.129   1.1149  557.153   26.467  702.078  110.663  548.360   27.258   26.516   2.1500   23.743   0.5914 2.772238 2.229838 
1 1 1  -18   30   22 o   18.419   1.4910  281.389   28.090  415.587  111.183  272.239   29.032   20.136   2.8445   16.701   0.8955 3.434393 2.982094 
1 1 1  -18   30   23 o   21.213   1.3196  433.782   34.314  469.770  103.457  429.334   36.373   21.463   2.4831   20.963   0.8938 0.4999046 2.639103 
1 1 1  -18   30   24 o   13.834   1.8710  209.644   36.036  187.573   89.314  213.935   39.383   12.951   3.4787   14.716   1.3787 -1.764720 3.741945 
1 1 1  -18   30   25 o   25.803   1.0695  647.707   42.012  687.108   97.273  638.671   46.580   26.079   1.9215   25.527   0.9400 0.5517960 2.139066 
1 1 1  -18   31    1 o   35.435   0.7436  1222.20   51.055  1260.57   70.811  1180.65   73.679   36.017   1.0128   34.853   1.0890 1.163708 1.487206 
1 1 1  -18   31    2 o   23.310   0.9858  527.638   44.565  498.976   61.676  558.951   64.466   22.648   1.4029   23.971   1.3854 -1.323164 1.971649 
1 1 1  -18   31    3 o   13.982   1.5419  190.714   41.799  178.256   58.484  203.722   59.762   13.513   2.2295   14.450   2.1305 -0.9366169 3.083791 
1 1 1  -18   31    4 o   96.265   0.8838  9008.47  165.142  9197.57  235.527  8825.61  231.613   97.259   1.2475   95.271   1.2524 1.987579 1.767696 
1 1 1  -18   31    5 o   87.511   0.8181  7432.26  138.803  7208.69  190.661  7684.37  202.466   86.115   1.1406   88.907   1.1731 -2.791992 1.636187 
1 1 1  -18   31    6 o   45.029   0.6203  1972.37   54.145  2048.87   75.707  1892.27   77.468   45.925   0.8492   44.133   0.9043 1.792595 1.240513 
1 1 1  -18   31    7 o   54.523   0.6245  2888.03   66.064  2885.96   91.919  2890.24   95.017   54.504   0.8688   54.542   0.8974 -0.3872299E-01 1.249067 
1 1 1  -18   31    8 o   19.849   0.7957  382.892   30.650  388.035   43.888  377.995   42.824   19.979   1.1317   19.719   1.1188 0.2597866 1.591320 
1 1 1  -18   31    9 o   56.941   0.6255  3147.14   69.069  3085.40   95.211  3215.73  100.349   56.353   0.8704   57.529   0.8986 -1.176060 1.250995 
1 1 1  -18   31   10 o   16.047   2.6324  272.005   80.711  321.643  107.207  207.059  122.628   17.810   3.2195   14.284   4.1657 3.526086 5.264812 
1 1 1  -18   31   11 o   31.619   1.2691  978.584   77.614  1028.09  107.186  924.011  112.536   32.471   1.7005   30.767   1.8842 1.703629 2.538136 
1 1 1  -18   31   12 o   69.726   1.4716  4737.57  199.182  4737.57  199.182   0.0000   0.0000   69.726   1.4716  ?   ?       ?      ? 
1 1 1  -18   31   13 o   67.303   1.5228  4417.68  198.950  4417.68  198.950   0.0000   0.0000   67.303   1.5228  ?   ?       ?      ? 
1 1 1  -18   31   14 o   24.896   2.4886  610.112  120.269  610.112  120.269   0.0000   0.0000   24.896   2.4886  ?   ?       ?      ? 
1 1 1  -18   31   15 o   16.668   3.5073  287.979  109.888  287.979  109.888   0.0000   0.0000   16.668   3.5073  ?   ?       ?      ? 
1 1 1  -18   31   16 o   9.3431   3.5777   62.818   90.725   62.818   90.725   0.0000   0.0000   9.3431   3.5777  ?   ?       ?      ? 
1 1 1  -18   31   17 o   20.432   3.0564  417.857  121.225  417.857  121.225   0.0000   0.0000   20.432   3.0564  ?   ?       ?      ? 
1 1 1  -18   31   18 o   30.420   1.8150  909.906  107.173  909.906  107.173   0.0000   0.0000   30.420   1.8150  ?   ?       ?      ? 
1 1 1  -18   31   19 o   26.408   2.3649  695.606  121.231  695.606  121.231   0.0000   0.0000   26.408   2.3649  ?   ?       ?      ? 
1 1 1  -18   31   20 o   31.604   1.8170  988.417  111.468  988.417  111.468   0.0000   0.0000   31.604   1.8170  ?   ?       ?      ? 
1 1 1  -18   31   21 o   8.6634   3.5564   37.183   95.792   37.183   95.792   0.0000   0.0000   8.6634   3.5564  ?   ?       ?      ? 
1 1 1  -18   31   22 o   33.429   0.9682  1028.33   33.938  1188.43  124.274  1015.43   35.279   34.551   1.8529   32.307   0.5625 2.244663 1.936403 
1 1 1  -18   31   23 o   19.420   1.5447  368.911   29.206  395.410  112.619  367.000   30.241   19.449   2.9830   19.391   0.8034 0.5739594E-01 3.089316 
1 1 1  -18   31   24 o   6.2878   1.9377   15.195   30.953 -55.3543  102.078   22.339   32.482   7.0116   3.2322   5.5640   2.1383 1.447653 3.875482 
1 1 1  -18   31   25 o   9.7348   2.0994  100.146   35.222   89.538   94.643  101.851   37.948   9.6326   3.6623   9.8369   2.0536 -0.2042894 4.198777 
1 1 1  -18   32    1 o   42.366   0.6877  1742.95   56.536  1702.80   78.599  1785.98   81.380   41.861   0.9673   42.871   0.9779 -1.009708 1.375456 
1 1 1  -18   32    2 o  108.840   0.9814 11525.02  207.350 11586.40  293.979 11464.25  292.500  109.128   1.3878  108.551   1.3881 0.5768356 1.962842 
1 1 1  -18   32    3 o   75.309   0.7503  5512.87  109.652  5536.24  153.463  5488.48  156.731   75.474   1.0475   75.145   1.0745 0.3289108 1.500558 
1 1 1  -18   32    4 o   17.700   1.1546  304.593   39.591  297.712   54.068  312.548   58.133   17.486   1.5929   17.914   1.6717 -0.4275436 2.309102 
1 1 1  -18   32    5 o   15.997   1.2300  252.445   37.667  275.143   50.802  224.733   56.134   16.811   1.5567   15.182   1.9047 1.629309 2.459949 
1 1 1  -18   32    6 o   94.858   0.8720  8750.42  160.559  8774.32  226.419  8726.25  227.714   94.989   1.2279   94.726   1.2384 0.2620697 1.743967 
1 1 1  -18   32    7 o   42.163   0.5917  1727.01   48.421  1726.90   68.924  1727.12   68.040   42.161   0.8422   42.165   0.8313 -0.3257751E-02 1.183325 
1 1 1  -18   32    8 o   73.935   0.7308  5309.37  104.823  5206.80  145.210  5420.97  151.471   73.191   1.0221   74.679   1.0449 -1.487717 1.461635 
1 1 1  -18   32    9 o   12.308   2.1149  144.643   30.226  150.153  110.406  144.196   31.427   12.443   4.0153   12.173   1.3300 0.2703991 4.229813 
1 1 1  -18   32   10 o   40.773   1.1434  1621.58   90.401  1537.07  127.898  1705.95  127.794   39.706   1.6594   41.840   1.5735 -2.133755 2.286750 
1 1 1  -18   32   11 o   38.756   1.1209  1466.51   83.835  1483.12  112.994  1446.18  125.039   39.011   1.4921   38.502   1.6730 0.5090294 2.241750 
1 1 1  -18   32   12 o   42.197   1.4438  1735.61  118.265  1735.61  118.265   0.0000   0.0000   42.197   1.4438  ?   ?       ?      ? 
1 1 1  -18   32   13 o   35.510   1.8310  1233.05  126.214  1233.05  126.214   0.0000   0.0000   35.510   1.8310  ?   ?       ?      ? 
1 1 1  -18   32   14 o   34.733   1.9141  1181.60  129.053  1181.60  129.053   0.0000   0.0000   34.733   1.9141  ?   ?       ?      ? 
1 1 1  -18   32   15 o   34.927   1.7694  1194.65  119.966  1194.65  119.966   0.0000   0.0000   34.927   1.7694  ?   ?       ?      ? 
1 1 1  -18   32   16 o   8.5927   3.6568   7.6283  106.879   7.6283  106.879   0.0000   0.0000   8.5927   3.6568  ?   ?       ?      ? 
1 1 1  -18   32   17 o   38.427   1.7232  1448.70  128.537  1448.70  128.537   0.0000   0.0000   38.427   1.7232  ?   ?       ?      ? 
1 1 1  -18   32   18 f   9.3335   3.6496   60.108   95.881   60.108   95.881   0.0000   0.0000   9.3335   3.6496  ?   ?       ?      ? 
1 1 1  -18   32   19 o   25.052   2.3363  627.073  113.618  627.073  113.618   0.0000   0.0000   25.052   2.3363  ?   ?       ?      ? 
1 1 1  -18   32   20 o   23.948   2.4968  578.297  116.072  578.297  116.072   0.0000   0.0000   23.948   2.4968  ?   ?       ?      ? 
1 1 1  -18   32   21 o   33.519   1.6924  1111.64  110.118  1111.64  110.118   0.0000   0.0000   33.519   1.6924  ?   ?       ?      ? 
1 1 1  -18   32   22 o   11.086   3.9840  124.161  109.218  124.161  109.218   0.0000   0.0000   11.086   3.9840  ?   ?       ?      ? 
1 1 1  -18   32   23 o   21.650   1.3090  382.720   24.947  578.283  116.536  373.328   25.539   23.727   2.5302   19.572   0.6722 4.155197 2.617929 
1 1 1  -18   32   24 o   14.456   1.7233  122.733   29.324  372.433  111.963  104.343   30.385   18.670   3.0894   10.243   1.5282 8.426927 3.446654 
1 1 1  -18   32   25 o   10.789   2.0252  153.195   34.260   21.344  119.877  164.923   35.752   8.7033   3.7893   12.875   1.4305 -4.171958 4.050338 
1 1 1  -18   33    1 o   12.666   1.7872  175.232   43.002  256.647   58.077   76.433   63.978   16.224   1.8441   9.1077   3.0620 7.116149 3.574440 
1 1 1  -18   33    2 o   42.816   0.6904  1781.51   57.339  1779.91   79.555  1783.25   82.715   42.797   0.9576   42.835   0.9948 -0.3808212E-01 1.380778 
1 1 1  -18   33    3 o   44.893   0.6537  1951.32   56.779  1877.29   76.712  2041.00   84.438   43.956   0.8990   45.830   0.9491 -1.873703 1.307335 
1 1 1  -18   33    4 o   86.774   0.8219  7320.83  138.427  7279.78  194.271  7363.16  197.295   86.528   1.1566   87.021   1.1680 -0.4926300 1.643739 
1 1 1  -18   33    5 o   57.525   0.6562  3215.45   73.274  3223.27  103.822  3207.69  103.429   57.594   0.9286   57.455   0.9274 0.1393585 1.312392 
1 1 1  -18   33    6 o   40.920   0.6312  1626.32   50.128  1591.35   70.027  1663.07   71.791   40.469   0.8914   41.371   0.8939 -0.9018364 1.262422 
1 1 1  -18   33    7 o   29.121   0.6627  822.872   37.427  777.915   51.868  871.712   54.061   28.292   0.9444   29.950   0.9299 -1.657736 1.325354 
1 1 1  -18   33    8 f   32.423   1.1248  1077.58   48.282  952.456  127.440  1098.55   52.172   31.220   2.1028   33.626   0.7993 -2.406351 2.249622 
1 1 1  -18   33    9 o   13.483   2.7854  184.816   77.448  178.822  112.940  190.136  106.407   13.327   4.0260   13.640   3.8504 -0.3129902 5.570856 
1 1 1  -18   33   10 o   66.929   1.0861  4367.53  141.086  4443.10  199.175  4291.41  199.879   67.513   1.5198   66.345   1.5520 1.168640 2.172197 
1 1 1  -18   33   11 o   16.023   2.5011  274.519   76.488  331.760   99.204  190.612  120.109   18.342   2.7862   13.704   4.1545 4.638800 5.002293 
1 1 1  -18   33   12 o   9.4526   3.6796   57.647   97.132   57.647   97.132   0.0000   0.0000   9.4526   3.6796  ?   ?       ?      ? 
1 1 1  -18   33   13 o   46.812   1.6014  2140.20  145.517  2140.20  145.517   0.0000   0.0000   46.812   1.6014  ?   ?       ?      ? 
1 1 1  -18   33   14 o   56.643   1.5531  3134.83  170.763  3134.83  170.763   0.0000   0.0000   56.643   1.5531  ?   ?       ?      ? 
1 1 1  -18   33   15 o   24.336   2.1849  583.342  103.215  583.342  103.215   0.0000   0.0000   24.336   2.1849  ?   ?       ?      ? 
1 1 1  -18   33   16 o   29.982   2.0660  885.303  120.241  885.303  120.241   0.0000   0.0000   29.982   2.0660  ?   ?       ?      ? 
1 1 1  -18   33   17 o   7.6441   3.4352 -41.3706  106.404 -41.3706  106.404   0.0000   0.0000   7.6441   3.4352  ?   ?       ?      ? 
1 1 1  -18   33   18 o   13.007   3.8614  180.293  104.563  180.293  104.563   0.0000   0.0000   13.007   3.8614  ?   ?       ?      ? 
1 1 1  -18   33   19 o   21.022   2.5587  445.632  104.414  445.632  104.414   0.0000   0.0000   21.022   2.5587  ?   ?       ?      ? 
1 1 1  -18   33   20 o   21.355   2.8649  465.484  118.763  465.484  118.763   0.0000   0.0000   21.355   2.8649  ?   ?       ?      ? 
1 1 1  -18   33   21 o   14.128   3.7236  220.970  103.562  220.970  103.562   0.0000   0.0000   14.128   3.7236  ?   ?       ?      ? 
1 1 1  -18   33   22 o   15.198   3.3822  253.765   97.210  253.765   97.210   0.0000   0.0000   15.198   3.3822  ?   ?       ?      ? 
1 1 1  -18   33   23 o   26.225   2.2248  699.347  113.261  699.347  113.261   0.0000   0.0000   26.225   2.2248  ?   ?       ?      ? 
1 1 1  -18   33   24 o   23.343   1.2555  469.943   26.357  644.685  117.578  460.698   27.046   24.949   2.4277   21.736   0.6410 3.213453 2.510931 
1 1 1  -18   34    1 o   82.701   0.7949  6651.79  127.601  6716.75  179.587  6585.55  181.335   83.110   1.1132   82.291   1.1352 0.8188095 1.589885 
1 1 1  -18   34    2 o   63.037   0.6934  3861.78   84.840  3960.04  120.642  3765.65  119.332   63.830   0.9737   62.243   0.9877 1.587643 1.386892 
1 1 1  -18   34    3 o   34.906   0.7205  1183.47   48.772  1165.11   67.284  1203.81   70.799   34.622   1.0012   35.190   1.0364 -0.5684509 1.441014 
1 1 1  -18   34    4 f   29.914   0.7575  869.965   43.988  875.376   62.609  864.690   61.815   30.006   1.0749   29.823   1.0678 0.1833706 1.515093 
1 1 1  -18   34    5 o   45.787   0.6363  2037.40   56.550  2069.27   79.961  2005.51   79.986   46.146   0.8927   45.428   0.9070 0.7174339 1.272607 
1 1 1  -18   34    6 o   73.011   0.7348  5182.50  104.136  5219.03  147.389  5146.08  147.153   73.268   1.0363   72.753   1.0420 0.5144730 1.469561 
1 1 1  -18   34    7 o   26.938   0.6658  704.992   34.781  712.803   50.464  697.924   48.004   27.079   0.9600   26.797   0.9228 0.2825584 1.331648 
1 1 1  -18   34    8 o   19.625   1.4037  294.308   36.336  269.724   38.431  501.510  111.572   16.649   1.1891   22.602   2.5430 -5.952200 2.807326 
1 1 1  -18   34    9 o   31.651   1.5275  979.268   92.840  796.490  127.637  1184.61  135.288   28.500   2.3071   34.801   2.0026 -6.300848 3.055017 
1 1 1  -18   34   10 o   51.602   1.1347  2609.49  113.156  2818.94  157.591  2386.57  162.579   53.765   1.5100   49.440   1.6940 4.324902 2.269306 
1 1 1  -18   34   11 o   37.203   1.2395  1355.80   88.807  1380.33  118.980  1324.94  133.443   37.601   1.6301   36.805   1.8678 0.7958298 2.479055 
1 1 1  -18   34   12 o   29.691   1.8461  862.684  106.401  862.684  106.401   0.0000   0.0000   29.691   1.8461  ?   ?       ?      ? 
1 1 1  -18   34   13 o   21.675   2.8526  466.042  120.020  466.042  120.020   0.0000   0.0000   21.675   2.8526  ?   ?       ?      ? 
1 1 1  -18   34   14 o   33.227   2.0260  1084.94  130.676  1084.94  130.676   0.0000   0.0000   33.227   2.0260  ?   ?       ?      ? 
1 1 1  -18   34   15 o   7.2501   3.2697 -44.5630   97.403 -44.5630   97.403   0.0000   0.0000   7.2501   3.2697  ?   ?       ?      ? 
1 1 1  -18   34   16 o   38.954   1.8172  1491.43  137.409  1491.43  137.409   0.0000   0.0000   38.954   1.8172  ?   ?       ?      ? 
1 1 1  -18   34   17 o   39.956   1.5684  1567.40  121.644  1567.40  121.644   0.0000   0.0000   39.956   1.5684  ?   ?       ?      ? 
1 1 1  -18   34   18 o   30.720   2.0435  936.976  121.862  936.976  121.862   0.0000   0.0000   30.720   2.0435  ?   ?       ?      ? 
1 1 1  -18   34   19 o   12.307   3.9349  161.455  106.217  161.455  106.217   0.0000   0.0000   12.307   3.9349  ?   ?       ?      ? 
1 1 1  -18   34   20 o   9.7292   3.9050   63.577  112.504   63.577  112.504   0.0000   0.0000   9.7292   3.9050  ?   ?       ?      ? 
1 1 1  -18   34   21 o   18.087   3.4278  355.524  115.948  355.524  115.948   0.0000   0.0000   18.087   3.4278  ?   ?       ?      ? 
1 1 1  -18   34   22 o   9.5572   3.6484   80.518   94.167   80.518   94.167   0.0000   0.0000   9.5572   3.6484  ?   ?       ?      ? 
1 1 1  -18   34   23 o   14.465   3.3780  234.271   93.135  234.271   93.135   0.0000   0.0000   14.465   3.3780  ?   ?       ?      ? 
1 1 1  -18   34   24 o   11.198   3.8657  141.967  102.076  141.967  102.076   0.0000   0.0000   11.198   3.8657  ?   ?       ?      ? 
1 1 1  -18   35    1 o   39.874   0.6978  1545.36   53.933  1537.84   74.211  1553.79   78.515   39.773   0.9612   39.975   1.0118 -0.2020950 1.395599 
1 1 1  -18   35    2 f   16.736   1.2969  273.457   42.119  274.110   58.859  272.772   60.298   16.758   1.8093   16.715   1.8584 0.4354286E-01 2.593706 
1 1 1  -18   35    3 o   71.993   0.7405  5037.87  103.451  4964.38  144.165  5115.88  148.538   71.453   1.0394   72.533   1.0550 -1.080032 1.480971 
1 1 1  -18   35    4 o   18.725   1.1210  341.633   40.580  301.305   56.440  384.792   58.387   17.578   1.6540   19.872   1.5136 -2.294106 2.242039 
1 1 1  -18   35    5 o   49.280   0.6230  2361.98   59.557  2302.86   85.193  2418.48   83.291   48.675   0.9016   49.885   0.8601 -1.210087 1.246095 
1 1 1  -18   35    6 o   33.112   0.6467  1066.95   41.416  1050.88   60.971  1080.72   56.434   32.878   0.9553   33.346   0.8718 -0.4681625 1.293358 
1 1 1  -18   35    7 o   57.243   0.9173  3144.53   86.720  3103.85   99.003  3278.66  179.753   56.506   0.9026   57.979   1.5971 -1.473370 1.834521 
1 1 1  -18   35    8 o   24.228   1.4318  562.337   37.288  559.924   38.923  589.266  130.025   24.002   0.8354   24.455   2.7390 -0.4531975 2.863595 
1 1 1  -18   35    9 o   48.925   1.1641  2335.00  110.521  2272.06  153.829  2402.16  158.895   48.245   1.6426   49.606   1.6501 -1.360714 2.328278 
1 1 1  -18   35   10 o   57.553   1.1051  3229.05  123.386  3338.80  178.217  3128.01  170.995   58.489   1.5697   56.616   1.5559 1.873703 2.210122 
1 1 1  -18   35   11 o   50.359   1.0520  2475.46  102.805  2511.70  144.172  2437.98  146.636   50.738   1.4638   49.979   1.5114 0.7587585 2.104064 
1 1 1  -18   35   12 o   7.8105   3.3872  -9.6233   95.037  -9.6233   95.037   0.0000   0.0000   7.8105   3.3872  ?   ?       ?      ? 
1 1 1  -18   35   13 o   34.957   1.9481  1199.52  132.189  1199.52  132.189   0.0000   0.0000   34.957   1.9481  ?   ?       ?      ? 
1 1 1  -18   35   14 o   36.385   1.8652  1299.51  131.741  1299.51  131.741   0.0000   0.0000   36.385   1.8652  ?   ?       ?      ? 
1 1 1  -18   35   15 o   39.928   1.4733  1559.63  114.188  1559.63  114.188   0.0000   0.0000   39.928   1.4733  ?   ?       ?      ? 
1 1 1  -18   35   16 o   20.260   3.1564  415.896  124.135  415.896  124.135   0.0000   0.0000   20.260   3.1564  ?   ?       ?      ? 
1 1 1  -18   35   17 f   8.3235   3.4988   19.261   95.880   19.261   95.880   0.0000   0.0000   8.3235   3.4988  ?   ?       ?      ? 
1 1 1  -18   35   18 o   12.610   4.0733  169.544  113.596  169.544  113.596   0.0000   0.0000   12.610   4.0733  ?   ?       ?      ? 
1 1 1  -18   35   19 o   16.269   3.2294  281.776   98.390  281.776   98.390   0.0000   0.0000   16.269   3.2294  ?   ?       ?      ? 
1 1 1  -18   35   20 o   14.343   3.7276  227.877  104.735  227.877  104.735   0.0000   0.0000   14.343   3.7276  ?   ?       ?      ? 
1 1 1  -18   35   21 o   11.663   4.0474  145.139  111.966  145.139  111.966   0.0000   0.0000   11.663   4.0474  ?   ?       ?      ? 
1 1 1  -18   35   22 o   9.2401   3.8037   53.241  109.954   53.241  109.954   0.0000   0.0000   9.2401   3.8037  ?   ?       ?      ? 
1 1 1  -18   35   23 o   15.889   3.3181  282.302   99.040  282.302   99.040   0.0000   0.0000   15.889   3.3181  ?   ?       ?      ? 
1 1 1  -18   36    1 o   42.319   0.7476  1741.97   60.956  1743.43   91.983  1740.83   81.393   42.329   1.1195   42.309   0.9910 0.1993942E-01 1.495110 
1 1 1  -18   36    2 f   18.762   1.1803  341.667   42.794  324.990   57.360  362.602   64.266   18.251   1.6190   19.272   1.7178 -1.020971 2.360552 
1 1 1  -18   36    3 f   45.258   0.6675  1991.57   58.632  1996.00   82.336  1987.02   83.512   45.310   0.9361   45.206   0.9517 0.1033707 1.334917 
1 1 1  -18   36    4 o   67.010   0.7131  4366.54   92.744  4483.94  131.884  4251.69  130.448   67.902   1.0006   66.118   1.0164 1.784012 1.426230 
1 1 1  -18   36    5 o   18.004   1.0912  317.639   37.925  334.914   51.905  297.855   55.547   18.537   1.4424   17.471   1.6378 1.066135 2.182471 
1 1 1  -18   36    6 o   28.777   0.6906  803.927   38.538  773.590   53.092  837.711   56.027   28.205   0.9697   29.349   0.9834 -1.144842 1.381104 
1 1 1  -18   36    7 o   23.101   1.5813  536.729   43.733  540.480   46.367  506.508  131.610   23.572   1.0133   22.631   2.9959 0.9416924 3.162641 
1 1 1  -18   36    8 o   57.360   0.9133  3206.86   88.151  3208.69  101.874  3201.43  175.852   57.445   0.9136   57.275   1.5817 0.1693344 1.826560 
1 1 1  -18   36    9 o   36.650   1.2952  1308.27   91.935  1399.74  135.730  1230.74  124.966   37.826   1.8485   35.474   1.8147 2.351776 2.590409 
1 1 1  -18   36   10 o   10.074   2.6442   30.133   78.531  171.585  118.982 -79.0515  104.534   13.083   4.1627   7.0655   3.2618 6.017596 5.288484 
1 1 1  -18   36   11 o   28.314   1.3309  787.567   72.537  769.827  109.198  801.576   97.041   28.009   2.0084   28.619   1.7468 -0.6096878 2.661722 
1 1 1  -18   36   12 o   26.782   2.0764  705.152  107.948  705.152  107.948   0.0000   0.0000   26.782   2.0764  ?   ?       ?      ? 
1 1 1  -18   36   13 o   43.444   1.7311  1849.60  145.986  1849.60  145.986   0.0000   0.0000   43.444   1.7311  ?   ?       ?      ? 
1 1 1  -18   36   14 o   7.0711   3.3072 -102.2699  112.998 -102.2699  112.998   0.0000   0.0000   7.0711   3.3072  ?   ?       ?      ? 
1 1 1  -18   36   15 o   25.706   2.0857  653.044  104.073  653.044  104.073   0.0000   0.0000   25.706   2.0857  ?   ?       ?      ? 
1 1 1  -18   36   16 o   18.424   3.4125  357.709  117.550  357.709  117.550   0.0000   0.0000   18.424   3.4125  ?   ?       ?      ? 
1 1 1  -18   36   17 o   25.761   2.0252  659.282  101.276  659.282  101.276   0.0000   0.0000   25.761   2.0252  ?   ?       ?      ? 
1 1 1  -18   36   18 o   29.372   2.0964  860.277  119.530  860.277  119.530   0.0000   0.0000   29.372   2.0964  ?   ?       ?      ? 
1 1 1  -18   36   19 o   24.995   2.3734  629.786  115.154  629.786  115.154   0.0000   0.0000   24.995   2.3734  ?   ?       ?      ? 
1 1 1  -18   36   20 o   6.9732   3.1672 -40.0041   93.321 -40.0041   93.321   0.0000   0.0000   6.9732   3.1672  ?   ?       ?      ? 
1 1 1  -18   36   21 f   9.7879   3.8444   78.817  106.777   78.817  106.777   0.0000   0.0000   9.7879   3.8444  ?   ?       ?      ? 
1 1 1  -18   36   22 o   5.9833   2.9304 -192.5206  114.688 -192.5206  114.688   0.0000   0.0000   5.9833   2.9304  ?   ?       ?      ? 
1 1 1  -18   36   23 o   13.261   4.0511  210.772  113.889  210.772  113.889   0.0000   0.0000   13.261   4.0511  ?   ?       ?      ? 
1 1 1  -18   37    1 o   61.355   0.7001  3659.89   83.265  3630.51  114.522  3692.84  121.276   61.097   0.9656   61.613   1.0140 -0.5157700 1.400213 
1 1 1  -18   37    2 o   63.716   0.8143  3972.22   98.695  3845.07  154.641  4059.61  128.200   62.832   1.2679   64.600   1.0223 -1.768173 1.628699 
1 1 1  -18   37    3 o   60.281   0.6838  3533.29   79.952  3516.93  110.799  3551.05  115.485   60.137   0.9491   60.424   0.9846 -0.2865715 1.367567 
1 1 1  -18   37    4 o   19.405   1.0526  372.251   39.075  428.980   54.058  310.176   56.548   20.984   1.3271   17.826   1.6342 3.158043 2.105212 
1 1 1  -18   37    5 o   27.372   1.2738  720.872   49.596  715.561   54.029  749.307  125.023   27.121   1.0262   27.622   2.3317 -0.5008640 2.547534 
1 1 1  -18   37    6 o   34.509   1.0607  1197.02   55.134  1218.87   61.367  1105.55  125.557   35.406   0.8929   33.611   1.9244 1.794613 2.121428 
1 1 1  -18   37    7 o   70.366   0.9462  4824.63  116.190  4823.31  137.049  4828.02  219.094   70.413   1.0027   70.320   1.6050 0.9296417E-01 1.892493 
1 1 1  -18   37    8 o   21.825   2.0449  469.912   86.204  539.213  125.809  408.580  118.354   23.353   2.7752   20.297   3.0040 3.056631 4.089702 
1 1 1  -18   37    9 o   37.430   1.3527  1372.64   98.281  1374.14  139.203  1371.15  138.779   37.450   1.9148   37.410   1.9111 0.4006958E-01 2.705317 
1 1 1  -18   37   10 o   11.423   2.5911   71.586   83.242 -103.2660  116.102  256.550  119.411   7.2197   3.3686   15.627   3.9380 -8.406895 5.182235 
1 1 1  -18   37   11 o   9.5546   3.7372   59.530  100.560   59.530  100.560   0.0000   0.0000   9.5546   3.7372  ?   ?       ?      ? 
1 1 1  -18   37   12 o   40.040   1.6942  1570.44  131.680  1570.44  131.680   0.0000   0.0000   40.040   1.6942  ?   ?       ?      ? 
1 1 1  -18   37   13 f   31.297   2.2296  967.340  135.452  967.340  135.452   0.0000   0.0000   31.297   2.2296  ?   ?       ?      ? 
1 1 1  -18   37   14 o   66.433   1.5351  4324.50  197.967  4324.50  197.967   0.0000   0.0000   66.433   1.5351  ?   ?       ?      ? 
1 1 1  -18   37   15 o   39.117   1.7182  1506.23  130.473  1506.23  130.473   0.0000   0.0000   39.117   1.7182  ?   ?       ?      ? 
1 1 1  -18   37   16 o   6.4795   3.1012 -139.3627  110.828 -139.3627  110.828   0.0000   0.0000   6.4795   3.1012  ?   ?       ?      ? 
1 1 1  -18   37   17 f   34.465   1.8146  1176.51  121.403  1176.51  121.403   0.0000   0.0000   34.465   1.8146  ?   ?       ?      ? 
1 1 1  -18   37   18 o   15.471   3.5517  259.805  104.409  259.805  104.409   0.0000   0.0000   15.471   3.5517  ?   ?       ?      ? 
1 1 1  -18   37   19 o   9.5070   3.8866   54.487  113.817   54.487  113.817   0.0000   0.0000   9.5070   3.8866  ?   ?       ?      ? 
1 1 1  -18   37   20 o   8.9262   3.6415   48.886   99.649   48.886   99.649   0.0000   0.0000   8.9262   3.6415  ?   ?       ?      ? 
1 1 1  -18   37   21 o   6.5664   3.0508 -63.7728   93.630 -63.7728   93.630   0.0000   0.0000   6.5664   3.0508  ?   ?       ?      ? 
1 1 1  -18   37   22 o   13.757   3.8885  221.746  108.451  221.746  108.451   0.0000   0.0000   13.757   3.8885  ?   ?       ?      ? 
1 1 1  -18   38    1 o   54.217   0.6764  2857.50   70.960  2836.12   96.369  2882.82  104.875   54.001   0.9193   54.434   0.9925 -0.4335251 1.352868 
1 1 1  -18   38    2 o   34.724   0.7448  1169.01   49.934  1133.52   66.817  1213.91   75.150   34.133   1.0084   35.315   1.0963 -1.181835 1.489540 
1 1 1  -18   38    3 o   49.406   0.7311  2372.38   69.372  2393.76  106.362  2356.55   91.517   49.590   1.1049   49.221   0.9578 0.3693123 1.462266 
1 1 1  -18   38    4 o   22.793   0.8739  508.965   38.429  453.343   55.098  561.653   53.626   21.568   1.3160   24.018   1.1502 -2.450176 1.747828 
1 1 1  -18   38    5 o   9.5385   2.4716   70.246   43.276   70.731   45.885   66.336  130.206   8.4468   2.5694   10.630   4.2229 -2.183311 4.943124 
1 1 1  -18   38    6 o   49.873   0.9790  2521.63   75.942  2590.94   85.597  2265.35  164.599   51.620   0.8542   48.126   1.7619 3.493515 1.958048 
1 1 1  -18   38    7 o   10.031   2.3154   96.348   36.509  101.210   37.987   37.466  132.193   9.9823   2.0295   10.080   4.1624 -0.9799671E-01 4.630803 
1 1 1  -18   38    8 o   47.563   1.2191  2223.96  112.007  2397.66  155.461  2036.48  161.515   49.526   1.6171   45.599   1.8247 3.926567 2.438107 
1 1 1  -18   38    9 f   28.880   1.6659  822.464   93.387  816.199  131.124  828.912  133.035   28.770   2.3479   28.990   2.3641 -0.2200432 3.331896 
1 1 1  -18   38   10 o   14.215   2.9131  211.313   85.182  226.842  120.485  195.795  120.445   14.683   4.0804   13.746   4.1588 0.9371481 5.826230 
1 1 1  -18   38   11 f   45.048   1.5156  1984.44  132.537  1984.44  132.537   0.0000   0.0000   45.048   1.5156  ?   ?       ?      ? 
1 1 1  -18   38   12 o   31.399   1.9880  970.287  121.169  970.287  121.169   0.0000   0.0000   31.399   1.9880  ?   ?       ?      ? 
1 1 1  -18   38   13 o   36.695   1.8741  1325.31  133.495  1325.31  133.495   0.0000   0.0000   36.695   1.8741  ?   ?       ?      ? 
1 1 1  -18   38   14 o   27.901   1.9643  769.286  106.386  769.286  106.386   0.0000   0.0000   27.901   1.9643  ?   ?       ?      ? 
1 1 1  -18   38   15 o   23.844   2.5980  571.612  120.250  571.612  120.250   0.0000   0.0000   23.844   2.5980  ?   ?       ?      ? 
1 1 1  -18   38   16 o   30.668   1.9413  933.839  115.571  933.839  115.571   0.0000   0.0000   30.668   1.9413  ?   ?       ?      ? 
1 1 1  -18   38   17 o   22.175   2.7057  499.218  116.467  499.218  116.467   0.0000   0.0000   22.175   2.7057  ?   ?       ?      ? 
1 1 1  -18   38   18 o   7.9506   3.4376   3.5158   97.296   3.5158   97.296   0.0000   0.0000   7.9506   3.4376  ?   ?       ?      ? 
1 1 1  -18   38   19 o   17.794   3.5192  346.980  117.249  346.980  117.249   0.0000   0.0000   17.794   3.5192  ?   ?       ?      ? 
1 1 1  -18   38   20 o   15.597   3.8162  276.206  114.594  276.206  114.594   0.0000   0.0000   15.597   3.8162  ?   ?       ?      ? 
1 1 1  -18   38   21 o   19.394   2.6960  392.216  101.495  392.216  101.495   0.0000   0.0000   19.394   2.6960  ?   ?       ?      ? 
1 1 1  -18   38   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   39    1 o   26.858   0.9295  695.243   47.697  659.791   61.541  748.575   75.481   26.020   1.2184   27.697   1.4039 -1.677027 1.858923 
1 1 1  -18   39    2 o   48.933   0.6654  2329.92   63.073  2335.71   86.534  2323.37   92.127   49.001   0.9097   48.864   0.9712 0.1372070 1.330761 
1 1 1  -18   39    3 o   35.931   0.6801  1255.10   47.366  1238.28   65.023  1274.12   69.137   35.676   0.9389   36.185   0.9843 -0.5083961 1.360273 
1 1 1  -18   39    4 o   34.859   1.2325  1247.07   68.959  1297.29   78.920  1084.97  141.801   36.499   1.1139   33.220   2.1990 3.279072 2.464983 
1 1 1  -18   39    5 o   30.800   1.2617  963.612   52.215  977.879   56.521  880.528  136.395   31.705   0.9184   29.896   2.3503 1.809065 2.523352 
1 1 1  -18   39    6 o   28.488   1.1911  731.768   46.106  708.707   49.463  884.579  127.325   26.988   0.9441   29.989   2.1872 -3.000517 2.382294 
1 1 1  -18   39    7 o   85.603   1.0525  7174.98  161.239  7201.98  193.858  7114.40  290.433   85.972   1.1616   85.234   1.7554 0.7380524 2.104916 
1 1 1  -18   39    8 o   14.621   2.7000  201.548   86.537  383.352  131.221   61.628  115.118   19.202   3.6538   10.040   3.9762 9.162772 5.400073 
1 1 1  -18   39    9 o   51.517   1.1263  2601.63  112.360  2510.76  162.949  2684.00  155.140   50.641   1.6576   52.394   1.5254 -1.752575 2.252656 
1 1 1  -18   39   10 o   43.124   1.1356  1816.79   93.033  1838.45  147.948  1802.63  119.648   43.299   1.7602   42.949   1.4351 0.3501396 2.271129 
1 1 1  -18   39   11 o   42.647   1.5913  1781.39  131.739  1781.39  131.739   0.0000   0.0000   42.647   1.5913  ?   ?       ?      ? 
1 1 1  -18   39   12 o   31.266   2.0038  964.227  121.617  964.227  121.617   0.0000   0.0000   31.266   2.0038  ?   ?       ?      ? 
1 1 1  -18   39   13 o   21.168   2.9403  452.475  120.820  452.475  120.820   0.0000   0.0000   21.168   2.9403  ?   ?       ?      ? 
1 1 1  -18   39   14 o   13.668   3.8397  201.333  106.087  201.333  106.087   0.0000   0.0000   13.668   3.8397  ?   ?       ?      ? 
1 1 1  -18   39   15 o   31.781   2.0774  1005.57  128.163  1005.57  128.163   0.0000   0.0000   31.781   2.0774  ?   ?       ?      ? 
1 1 1  -18   39   16 o   9.6047   3.7325   70.600   99.814   70.600   99.814   0.0000   0.0000   9.6047   3.7325  ?   ?       ?      ? 
1 1 1  -18   39   17 o   19.548   3.0327  394.135  115.078  394.135  115.078   0.0000   0.0000   19.548   3.0327  ?   ?       ?      ? 
1 1 1  -18   39   18 o   28.830   1.8731  828.773  104.825  828.773  104.825   0.0000   0.0000   28.830   1.8731  ?   ?       ?      ? 
1 1 1  -18   39   19 o   16.913   3.4954  315.583  110.964  315.583  110.964   0.0000   0.0000   16.913   3.4954  ?   ?       ?      ? 
1 1 1  -18   39   20 o   10.607   4.0554  107.154  116.464  107.154  116.464   0.0000   0.0000   10.607   4.0554  ?   ?       ?      ? 
1 1 1  -18   39   21 o   9.4627   3.8534   67.100  111.331   67.100  111.331   0.0000   0.0000   9.4627   3.8534  ?   ?       ?      ? 
1 1 1  -18   40    1 o   59.976   0.6890  3502.40   80.187  3616.95  113.395  3387.82  113.407   60.960   0.9583   58.992   0.9903 1.968102 1.378052 
1 1 1  -18   40    2 f   24.330   0.9809  576.571   46.066  566.203   61.688  589.641   69.260   24.090   1.3192   24.570   1.4522 -0.4799652 1.961897 
1 1 1  -18   40    3 o   82.770   1.0553  6699.58  152.799  6707.31  180.614  6680.14  286.578   82.974   1.1214   82.567   1.7880 0.4067459 2.110558 
1 1 1  -18   40    4 o   40.814   1.0338  1612.39   63.719  1603.70   70.549  1650.87  148.436   40.600   0.8952   41.028   1.8638 -0.4287949 2.067591 
1 1 1  -18   40    5 f   36.318   1.0625  1261.61   56.713  1247.36   62.229  1331.47  137.781   35.805   0.8953   36.830   1.9272 -1.024918 2.124985 
1 1 1  -18   40    6 o   32.734   1.1526  1086.36   51.188  1102.30   55.510  995.839  132.307   33.663   0.8495   31.806   2.1429 1.856810 2.305185 
1 1 1  -18   40    7 f   16.771   2.0153  271.817   32.409  269.702   33.553  301.229  125.145   16.641   1.0387   16.901   3.8946 -0.2596169 4.030696 
1 1 1  -18   40    8 o   26.741   1.7857  708.489   92.542  710.676  134.811  706.540  127.263   26.764   2.5948   26.717   2.4539 0.4735565E-01 3.571324 
1 1 1  -18   40    9 o   30.969   1.6204  965.604   95.263  757.080  137.336  1158.98  132.253   27.617   2.5618   34.322   1.9850 -6.705629 3.240885 
1 1 1  -18   40   10 o   7.5096   2.4504 -84.1547   83.525 -63.4726  115.734 -106.6364  120.664   7.6990   3.5085   7.3201   3.4217 0.3788571 4.900747 
1 1 1  -18   40   11 o   34.502   1.8842  1172.49  126.195  1172.49  126.195   0.0000   0.0000   34.502   1.8842  ?   ?       ?      ? 
1 1 1  -18   40   12 o   15.557   3.9974  261.794  121.368  261.794  121.368   0.0000   0.0000   15.557   3.9974  ?   ?       ?      ? 
1 1 1  -18   40   13 o   44.557   1.6996  1955.96  147.002  1955.96  147.002   0.0000   0.0000   44.557   1.6996  ?   ?       ?      ? 
1 1 1  -18   40   14 o   55.492   1.4378  3025.16  154.880  3025.16  154.880   0.0000   0.0000   55.492   1.4378  ?   ?       ?      ? 
1 1 1  -18   40   15 f   21.184   2.9708  459.509  122.164  459.509  122.164   0.0000   0.0000   21.184   2.9708  ?   ?       ?      ? 
1 1 1  -18   40   16 o   8.9255   3.5271   55.237   90.392   55.237   90.392   0.0000   0.0000   8.9255   3.5271  ?   ?       ?      ? 
1 1 1  -18   40   17 o   33.350   1.9444  1110.18  125.874  1110.18  125.874   0.0000   0.0000   33.350   1.9444  ?   ?       ?      ? 
1 1 1  -18   40   18 o   23.020   2.6421  544.556  118.067  544.556  118.067   0.0000   0.0000   23.020   2.6421  ?   ?       ?      ? 
1 1 1  -18   40   19 o   25.569   2.1696  662.269  107.683  662.269  107.683   0.0000   0.0000   25.569   2.1696  ?   ?       ?      ? 
1 1 1  -18   40   20 o   29.254   2.1446  870.605  121.789  870.605  121.789   0.0000   0.0000   29.254   2.1446  ?   ?       ?      ? 
1 1 1  -18   40   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   41    1 o   19.945   1.1146  390.384   42.899  339.845   60.351  442.002   60.992   18.626   1.6692   21.263   1.4777 -2.636909 2.229264 
1 1 1  -18   41    2 o   82.214   1.0390  6746.33  152.745  6984.13  185.098  6238.73  270.431   84.652   1.1264   79.776   1.7463 4.876167 2.078075 
1 1 1  -18   41    3 o   58.272   0.9333  3305.11  105.566  3305.11  105.566   0.0000   0.0000   58.272   0.9333  ?   ?       ?      ? 
1 1 1  -18   41    4 o   38.988   1.1363  1505.15   62.146  1513.12   67.703  1462.54  156.635   39.433   0.8845   38.543   2.0935 0.8902283 2.272682 
1 1 1  -18   41    5 o   22.706   1.7866  573.452   48.284  593.280   51.587  433.328  137.140   24.676   1.0769   20.736   3.4070 3.940577 3.573189 
1 1 1  -18   41    6 o   42.185   1.0485  1758.84   62.180  1767.52   67.763  1712.63  156.428   42.626   0.8190   41.744   1.9304 0.8813858 2.096941 
1 1 1  -18   41    7 o   23.539   1.4828  483.813   31.327  476.452   32.155  621.258  138.946   22.134   0.7484   24.944   2.8696 -2.809120 2.965590 
1 1 1  -18   41    8 o   9.3661   2.8094   11.790   89.043 -16.3568  121.949   43.932  130.318   8.6758   3.7984   10.056   4.1405 -1.380572 5.618833 
1 1 1  -18   41    9 o   27.844   1.8133  774.410   97.572  853.125  137.607  694.819  138.372   29.310   2.4186   26.377   2.7024 2.932911 3.626670 
1 1 1  -18   41   10 o   46.953   1.2106  2158.59  109.884  2077.39  147.734  2259.15  164.398   45.988   1.6549   47.918   1.7674 -1.929718 2.421226 
1 1 1  -18   41   11 o   17.753   2.9409  318.730  101.348  318.730  101.348   0.0000   0.0000   17.753   2.9409  ?   ?       ?      ? 
1 1 1  -18   41   12 o   21.403   2.9178  464.596  121.223  464.596  121.223   0.0000   0.0000   21.403   2.9178  ?   ?       ?      ? 
1 1 1  -18   41   13 o   27.368   2.2576  748.808  119.938  748.808  119.938   0.0000   0.0000   27.368   2.2576  ?   ?       ?      ? 
1 1 1  -18   41   14 o   27.337   2.2568  748.365  119.760  748.365  119.760   0.0000   0.0000   27.337   2.2568  ?   ?       ?      ? 
1 1 1  -18   41   15 o   32.445   1.9864  1047.82  125.107  1047.82  125.107   0.0000   0.0000   32.445   1.9864  ?   ?       ?      ? 
1 1 1  -18   41   16 o   27.298   2.2296  749.582  118.147  749.582  118.147   0.0000   0.0000   27.298   2.2296  ?   ?       ?      ? 
1 1 1  -18   41   17 o   14.002   3.8367  220.560  107.371  220.560  107.371   0.0000   0.0000   14.002   3.8367  ?   ?       ?      ? 
1 1 1  -18   41   18 o   10.899   4.1833  111.662  124.224  111.662  124.224   0.0000   0.0000   10.899   4.1833  ?   ?       ?      ? 
1 1 1  -18   41   19 o   18.731   2.9190  369.489  106.134  369.489  106.134   0.0000   0.0000   18.731   2.9190  ?   ?       ?      ? 
1 1 1  -18   41   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   42    1 o   39.572   1.0866  1517.37   66.134  1507.24   73.623  1559.66  150.496   39.339   0.9641   39.806   1.9477 -0.4667892 2.173227 
1 1 1  -18   42    2 o   8.2602   2.4409   26.264   51.098   26.780   55.814   23.588  127.006   6.9575   2.7645   9.5630   4.0237 -2.605464 4.881876 
1 1 1  -18   42    3 o   29.541   1.2947  889.787   55.651  907.631   61.417  807.914  131.554   30.521   1.0367   28.561   2.3728 1.959166 2.589353 
1 1 1  -18   42    4 o   30.957   0.9358  933.095   56.236  933.095   56.236   0.0000   0.0000   30.957   0.9358  ?   ?       ?      ? 
1 1 1  -18   42    5 f   15.754   2.1538  274.364   44.565  282.757   48.092  223.353  118.562   17.002   1.4572   14.507   4.0535 2.494747 4.307512 
1 1 1  -18   42    6 o   27.775   1.0590  734.206   44.044  722.547   48.529  788.682  104.901   27.241   0.9177   28.309   1.9089 -1.068586 2.118066 
1 1 1  -18   42    7 o   13.510   2.1019  180.130   19.982  179.876   20.273  188.786  118.269   13.597   0.7681   13.422   4.1330 0.1750345 4.203735 
1 1 1  -18   42    8 o   27.346   1.7125  750.398   89.792  622.329  127.530  876.300  126.447   24.951   2.6331   29.741   2.1902 -4.790163 3.424921 
1 1 1  -18   42    9 o   17.481   2.6477  328.176   86.990  300.612  127.505  352.179  118.983   16.683   3.9908   18.279   3.4805 -1.595575 5.295307 
1 1 1  -18   42   10 o   27.205   1.6712  740.822   87.770  652.675  124.001  829.327  124.252   25.534   2.5018   28.877   2.2166 -3.343481 3.342450 
1 1 1  -18   42   11 o   20.266   2.6450  413.787  104.058  413.787  104.058   0.0000   0.0000   20.266   2.6450  ?   ?       ?      ? 
1 1 1  -18   42   12 o   16.094   3.9273  284.293  121.614  284.293  121.614   0.0000   0.0000   16.094   3.9273  ?   ?       ?      ? 
1 1 1  -18   42   13 f   17.181   3.2844  314.044  105.544  314.044  105.544   0.0000   0.0000   17.181   3.2844  ?   ?       ?      ? 
1 1 1  -18   42   14 o   32.757   2.0700  1070.22  131.629  1070.22  131.629   0.0000   0.0000   32.757   2.0700  ?   ?       ?      ? 
1 1 1  -18   42   15 o   9.4409   3.7924   59.663  106.205   59.663  106.205   0.0000   0.0000   9.4409   3.7924  ?   ?       ?      ? 
1 1 1  -18   42   16 o   15.514   4.0557  273.722  123.514  273.722  123.514   0.0000   0.0000   15.514   4.0557  ?   ?       ?      ? 
1 1 1  -18   42   17 o   18.877   3.1237  375.556  114.463  375.556  114.463   0.0000   0.0000   18.877   3.1237  ?   ?       ?      ? 
1 1 1  -18   42   18 o   24.083   2.7070  602.765  126.551  602.765  126.551   0.0000   0.0000   24.083   2.7070  ?   ?       ?      ? 
1 1 1  -18   42   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   42   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   43    1 o   7.3948   2.3009  -7.0538   51.612  -9.9072   57.542   4.6901  116.739   5.9760   2.6130   8.8136   3.7879 -2.837609 4.601748 
1 1 1  -18   43    2 o   35.354   1.1397  1246.83   61.738  1260.02   68.961  1193.56  138.568   35.955   0.9881   34.753   2.0540 1.202053 2.279307 
1 1 1  -18   43    3 o   36.975   1.0904  1321.58   61.026  1310.45   67.578  1370.75  142.064   36.674   0.9492   37.275   1.9633 -0.6012840 2.180776 
1 1 1  -18   43    4 o   22.319   1.5563  387.947   47.519  351.917   50.556  661.096  139.199   18.965   1.3733   25.673   2.7932 -6.707579 3.112515 
1 1 1  -18   43    5 o   14.895   1.6623  217.929   48.061  217.929   48.061   0.0000   0.0000   14.895   1.6623  ?   ?       ?      ? 
1 1 1  -18   43    6 o   35.498   1.1595  1251.14   51.962  1255.47   55.477  1220.22  148.337   35.914   0.7958   35.081   2.1782 0.8324547 2.319048 
1 1 1  -18   43    7 f   14.688   2.8184  212.459   81.472  149.507  101.451  326.800  136.726   12.028   3.8456   17.348   4.1212 -5.319293 5.636764 
1 1 1  -18   43    8 o   35.082   1.4916  1219.26  101.487  1152.55  140.746  1291.51  146.473   34.077   2.1277   36.087   2.0909 -2.009590 2.983108 
1 1 1  -18   43    9 o   9.6299   2.8363   37.719   87.942   46.421  124.220   28.975  124.518   9.7963   4.0390   9.4634   3.9831 0.3329220 5.672591 
1 1 1  -18   43   10 o   37.900   1.1846  1419.93   86.813  1367.55  127.064  1465.78  118.887   37.212   1.7590   38.587   1.5872 -1.375103 2.369254 
1 1 1  -18   43   11 o   15.144   4.0065  253.046  119.602  253.046  119.602   0.0000   0.0000   15.144   4.0065  ?   ?       ?      ? 
1 1 1  -18   43   12 o   23.364   2.8462  556.540  129.081  556.540  129.081   0.0000   0.0000   23.364   2.8462  ?   ?       ?      ? 
1 1 1  -18   43   13 o   11.401   3.9400  132.098  106.051  132.098  106.051   0.0000   0.0000   11.401   3.9400  ?   ?       ?      ? 
1 1 1  -18   43   14 o   33.710   2.1445  1139.40  140.333  1139.40  140.333   0.0000   0.0000   33.710   2.1445  ?   ?       ?      ? 
1 1 1  -18   43   15 o   7.7673   3.4575 -19.8709  105.079 -19.8709  105.079   0.0000   0.0000   7.7673   3.4575  ?   ?       ?      ? 
1 1 1  -18   43   16 o   18.205   3.8108  371.746  130.353  371.746  130.353   0.0000   0.0000   18.205   3.8108  ?   ?       ?      ? 
1 1 1  -18   43   17 o   18.001   3.2340  352.894  108.854  352.894  108.854   0.0000   0.0000   18.001   3.2340  ?   ?       ?      ? 
1 1 1  -18   43   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   43   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   44    1 o   35.697   1.1987  1302.81   64.305  1333.00   71.668  1178.13  145.658   36.966   0.9988   34.428   2.1795 2.537853 2.397430 
1 1 1  -18   44    2 f   50.813   0.9917  2588.31   81.743  2638.46   93.408  2424.34  168.923   52.027   0.9249   49.599   1.7545 2.428837 1.983352 
1 1 1  -18   44    3 o   24.228   1.5033  627.155   53.105  653.973   59.063  513.995  121.325   25.869   1.1762   22.588   2.7670 3.281271 3.006649 
1 1 1  -18   44    4 o   6.4618   2.1137 -35.3748   46.845 -34.4107   51.511 -39.9850  112.642   5.0546   2.3174   7.8690   3.5356 -2.814473 4.227372 
1 1 1  -18   44    5 o   18.689   1.8726  377.943   45.630  387.991   49.699  324.015  115.138   19.911   1.2859   17.467   3.5175 2.444410 3.745164 
1 1 1  -18   44    6 o   29.436   0.8284  843.995   47.337  843.995   47.337   0.0000   0.0000   29.436   0.8284  ?   ?       ?      ? 
1 1 1  -18   44    7 f   16.881   2.5570  288.260   77.029  255.019   92.990  360.942  137.504   15.542   3.1892   18.220   3.9977 -2.677970 5.113925 
1 1 1  -18   44    8 o   17.463   2.8114  339.040   93.369  389.382  125.857  277.422  139.241   19.128   3.5193   15.799   4.3852 3.329103 5.622752 
1 1 1  -18   44    9 o   25.707   1.9561  668.048   97.347  604.937  133.385  739.973  142.394   24.392   2.8170   27.022   2.7147 -2.629221 3.912154 
1 1 1  -18   44   10 f   8.3943   3.6110   7.5067  106.261   7.5067  106.261   0.0000   0.0000   8.3943   3.6110  ?   ?       ?      ? 
1 1 1  -18   44   11 o   20.321   3.1817  426.177  125.511  426.177  125.511   0.0000   0.0000   20.321   3.1817  ?   ?       ?      ? 
1 1 1  -18   44   12 o   17.256   3.9644  329.321  130.002  329.321  130.002   0.0000   0.0000   17.256   3.9644  ?   ?       ?      ? 
1 1 1  -18   44   13 o   14.871   3.7521  244.869  108.306  244.869  108.306   0.0000   0.0000   14.871   3.7521  ?   ?       ?      ? 
1 1 1  -18   44   14 o   11.627   4.3472  132.926  132.103  132.926  132.103   0.0000   0.0000   11.627   4.3472  ?   ?       ?      ? 
1 1 1  -18   44   15 o   14.511   3.7960  237.788  108.151  237.788  108.151   0.0000   0.0000   14.511   3.7960  ?   ?       ?      ? 
1 1 1  -18   44   16 f   18.630   3.8361  392.405  134.105  392.405  134.105   0.0000   0.0000   18.630   3.8361  ?   ?       ?      ? 
1 1 1  -18   44   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   44   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   45    1 o   40.297   0.9074  1592.58   63.919  1594.65   75.533  1587.36  119.965   40.426   0.9625   40.168   1.5386 0.2581367 1.814834 
1 1 1  -18   45    2 o   30.205   1.2592  909.452   58.618  914.913   65.544  887.637  131.009   30.597   1.1035   29.812   2.2638 0.7848339 2.518456 
1 1 1  -18   45    3 o   10.281   2.4079  111.604   49.825  126.113   53.755   23.116  132.753   10.988   2.5665   9.5741   4.0750 1.414433 4.815833 
1 1 1  -18   45    4 o   19.761   2.0960  458.926   51.726  483.082   56.290  327.835  131.130   22.203   1.3060   17.320   3.9834 4.883640 4.191999 
1 1 1  -18   45    5 o   41.961   1.0748  1791.58   65.826  1824.84   72.679  1639.70  155.288   43.268   0.8653   40.654   1.9677 2.613949 2.149602 
1 1 1  -18   45    6 o   8.7607   2.4709   22.402   36.030   13.467   37.395  138.063  134.545   5.5127   2.2377   12.009   4.4061 -6.496000 4.941787 
1 1 1  -18   45    7 o   8.2132   3.4174   25.669   90.088   25.669   90.088   0.0000   0.0000   8.2132   3.4174  ?   ?       ?      ? 
1 1 1  -18   45    8 o   45.425   1.1425  2036.42  100.627  1919.91  142.035  2153.83  142.584   44.100   1.6592   46.750   1.5712 -2.649925 2.285054 
1 1 1  -18   45    9 f   30.674   1.5775  940.698   93.889  974.063  135.155  909.580  130.523   31.199   2.2317   30.149   2.2302 1.049788 3.155026 
1 1 1  -18   45   10 o   22.017   2.6384  491.335  112.762  491.335  112.762   0.0000   0.0000   22.017   2.6384  ?   ?       ?      ? 
1 1 1  -18   45   11 o   12.094   4.3473  148.095  130.054  148.095  130.054   0.0000   0.0000   12.094   4.3473  ?   ?       ?      ? 
1 1 1  -18   45   12 o   8.3793   3.7262 -19.8022  121.738 -19.8022  121.738   0.0000   0.0000   8.3793   3.7262  ?   ?       ?      ? 
1 1 1  -18   45   13 o   31.632   2.2363  1009.97  137.315  1009.97  137.315   0.0000   0.0000   31.632   2.2363  ?   ?       ?      ? 
1 1 1  -18   45   14 o   13.650   4.4803  214.374  137.169  214.374  137.169   0.0000   0.0000   13.650   4.4803  ?   ?       ?      ? 
1 1 1  -18   45   15 o   39.947   1.9999  1606.09  155.079  1606.09  155.079   0.0000   0.0000   39.947   1.9999  ?   ?       ?      ? 
1 1 1  -18   45   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   45   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   45   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   46    1 o   8.2326   2.4743   4.6647   51.105  -8.9692   55.474   81.151  131.392   5.8494   2.5614   10.616   4.2342 -4.766332 4.948638 
1 1 1  -18   46    2 o   29.676   1.3806  915.464   59.826  938.739   66.232  812.296  139.441   30.983   1.1012   28.368   2.5322 2.614420 2.761262 
1 1 1  -18   46    3 o   7.7468   2.3297  -4.1423   47.987 -20.8258   52.827   74.592  114.760   5.4142   2.4277   10.079   3.9770 -4.665177 4.659420 
1 1 1  -18   46    4 o   13.835   2.2446  231.244   49.702  252.100   54.957  137.572  116.469   15.961   1.7738   11.708   4.1240 4.252540 4.489276 
1 1 1  -18   46    5 o   6.1973   2.0441 -23.5549   42.978 -10.0472   45.891 -119.9124  122.570   5.2675   2.3175   7.1270   3.3677 -1.859519 4.088109 
1 1 1  -18   46    6 o   9.8362   2.1961   91.005   27.316   92.939   27.924   48.007  131.655   9.7194   1.4800   9.9530   4.1354 -0.2336884 4.392296 
1 1 1  -18   46    7 o   12.306   2.6805   77.744   79.036 -35.7700   94.562  340.819  143.957   7.1604   3.2262   17.452   4.2816 -10.29203 5.360969 
1 1 1  -18   46    8 o   14.324   3.1580  226.163   95.564  220.600  121.571  235.158  154.600   14.120   4.1563   14.527   4.7559 -0.4068117 6.316082 
1 1 1  -18   46    9 o   35.901   1.4169  1269.58   97.287  1202.21  125.843  1369.65  153.375   34.794   1.8632   37.007   2.1350 -2.213112 2.833703 
1 1 1  -18   46   10 o   12.212   4.1229  158.821  115.993  158.821  115.993   0.0000   0.0000   12.212   4.1229  ?   ?       ?      ? 
1 1 1  -18   46   11 o   33.029   2.2969  1101.43  147.266  1101.43  147.266   0.0000   0.0000   33.029   2.2969  ?   ?       ?      ? 
1 1 1  -18   46   12 o   17.332   3.7003  333.371  120.708  333.371  120.708   0.0000   0.0000   17.332   3.7003  ?   ?       ?      ? 
1 1 1  -18   46   13 o   21.846   3.5249  513.185  149.479  513.185  149.479   0.0000   0.0000   21.846   3.5249  ?   ?       ?      ? 
1 1 1  -18   46   14 o   23.598   3.0081  585.830  137.794  585.830  137.794   0.0000   0.0000   23.598   3.0081  ?   ?       ?      ? 
1 1 1  -18   46   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   46   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   46   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   47    1 o   8.4257   2.3962   42.950   50.923   41.475   57.095   48.687  112.602   7.4294   2.8398   9.4219   3.8604 -1.992448 4.792395 
1 1 1  -18   47    2 o   40.026   1.0371  1576.42   65.469  1576.50   73.651  1576.14  142.915   40.188   0.9441   39.865   1.8468 0.3229866 2.074145 
1 1 1  -18   47    3 o   31.484   1.2888  947.132   56.972  931.634   61.790  1035.06  147.172   30.877   1.0309   32.090   2.3626 -1.213133 2.577689 
1 1 1  -18   47    4 o   36.299   1.1317  1254.65   60.977  1230.44   66.996  1371.51  147.190   35.498   0.9723   37.099   2.0438 -1.601147 2.263312 
1 1 1  -18   47    5 o   49.618   0.9558  2337.36   74.479  2283.01   83.184  2557.00  167.231   48.377   0.8858   50.859   1.6939 -2.481575 1.911518 
1 1 1  -18   47    6 o   21.578   1.6088  473.499   30.355  474.326   31.243  459.548  128.281   22.068   0.7293   21.087   3.1338 0.9805260 3.217581 
1 1 1  -18   47    7 o   18.817   2.3927  388.941   82.390  447.494  108.357  308.700  126.848   20.971   2.6618   16.663   3.9768 4.307560 4.785451 
1 1 1  -18   47    8 o   31.110   1.6631  978.127   98.854  986.886  129.377  965.840  153.232   31.386   2.1235   30.833   2.5602 0.5535946 3.326215 
1 1 1  -18   47    9 o   27.536   1.9274  788.557   96.609  814.249  119.179  739.324  164.983   28.472   2.1564   26.600   3.1952 1.872250 3.854764 
1 1 1  -18   47   10 o   14.494   3.6576  233.452  102.912  233.452  102.912   0.0000   0.0000   14.494   3.6576  ?   ?       ?      ? 
1 1 1  -18   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   47   12 o   13.537   4.1135  209.889  117.651  209.889  117.651   0.0000   0.0000   13.537   4.1135  ?   ?       ?      ? 
1 1 1  -18   47   13 o   13.377   4.7453  206.592  154.467  206.592  154.467   0.0000   0.0000   13.377   4.7453  ?   ?       ?      ? 
1 1 1  -18   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   48    1 o   19.126   2.3210  486.683   55.037  528.942   59.937  259.491  138.974   23.195   1.3312   15.057   4.4471 8.137458 4.642095 
1 1 1  -18   48    2 o   16.715   2.2662  282.474   53.310  276.058   58.043  317.076  134.790   16.673   1.7934   16.757   4.1625 -0.8421707E-01 4.532374 
1 1 1  -18   48    3 o   33.685   1.1206  1135.72   57.921  1145.44   64.718  1096.60  129.826   34.237   0.9738   33.132   2.0186 1.104771 2.241185 
1 1 1  -18   48    4 o   7.2278   2.2421   5.2274   48.380   9.7904   53.302 -16.1124  115.269   6.2240   2.6121   8.2316   3.6448 -2.007635 4.484146 
1 1 1  -18   48    5 o   23.667   1.6100  534.137   48.321  524.688   51.420  605.526  141.340   23.140   1.1447   24.193   3.0097 -1.052179 3.220004 
1 1 1  -18   48    6 o   35.724   1.1952  1261.15   40.693  1260.62   42.091  1268.83  159.215   35.991   0.6025   35.457   2.3132 0.5332298 2.390372 
1 1 1  -18   48    7 o   26.154   1.8162  696.679   90.590  692.979  117.684  702.060  141.921   26.187   2.3151   26.121   2.7989 0.6620789E-01 3.632302 
1 1 1  -18   48    8 o   8.8773   2.7118   13.573   85.452   13.210  119.046   13.959  122.735   8.8147   3.8069   8.9399   3.8632 -0.1252174 5.423677 
1 1 1  -18   48    9 f   41.227   1.2656  1708.48   99.274  1779.25  129.933  1609.22  153.874   42.380   1.5794   40.074   1.9780 2.305744 2.531246 
1 1 1  -18   48   10 o   25.112   2.4148  642.912  117.715  642.912  117.715   0.0000   0.0000   25.112   2.4148  ?   ?       ?      ? 
1 1 1  -18   48   11 o   9.4764   3.9642   47.932  122.152   47.932  122.152   0.0000   0.0000   9.4764   3.9642  ?   ?       ?      ? 
1 1 1  -18   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   49    1 o   22.952   1.5094  496.831   54.590  474.259   60.826  590.291  123.771   21.923   1.4293   23.980   2.6589 -2.057037 3.018701 
1 1 1  -18   49    2 o   21.350   1.9439  502.326   55.697  517.409   61.189  429.441  134.510   22.915   1.3756   19.784   3.6364 3.130743 3.887888 
1 1 1  -18   49    3 o   23.311   1.6618  529.151   53.471  520.120   57.831  582.359  140.370   22.995   1.2956   23.626   3.0607 -0.6307030 3.323596 
1 1 1  -18   49    4 o   29.156   1.3730  900.451   56.724  927.178   62.436  774.111  135.745   30.773   1.0452   27.538   2.5393 3.234730 2.746041 
1 1 1  -18   49    5 o   24.467   1.4294  630.654   47.718  644.608   51.987  556.000  120.245   25.658   1.0438   23.275   2.6614 2.382576 2.858737 
1 1 1  -18   49    6 o   33.427   1.0500  1063.04   38.899  1054.20   40.710  1155.76  131.866   32.902   0.6374   33.951   2.0008 -1.049782 2.099910 
1 1 1  -18   49    7 o   10.321   2.8152   71.327   90.371  169.635  117.807 -69.2405  140.871   12.397   4.1551   8.2455   3.7995 4.151295 5.630418 
1 1 1  -18   49    8 o   15.637   3.0699  278.599   94.349  251.971  119.527  322.618  153.677   14.821   4.0426   16.453   4.6212 -1.631648 6.139860 
1 1 1  -18   49    9 o   18.793   2.1878  371.704   77.770  329.999  103.764  425.159  117.476   17.458   3.1790   20.129   3.0066 -2.670439 4.375511 
1 1 1  -18   49   10 o   17.367   3.8776  343.446  127.415  343.446  127.415   0.0000   0.0000   17.367   3.8776  ?   ?       ?      ? 
1 1 1  -18   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   50    1 o   6.5897   2.2281 -64.5757   54.841 -64.7702   59.628 -63.5082  139.700   4.9260   2.3340   8.2535   3.7960 -3.327445 4.456118 
1 1 1  -18   50    2 o   20.973   1.7947  398.722   56.447  371.161   61.674  540.945  140.100   19.327   1.6439   22.618   3.1909 -3.291014 3.589455 
1 1 1  -18   50    3 o   20.771   1.5266  447.698   51.481  458.793   59.061  412.603  105.042   21.555   1.4115   19.987   2.7073 1.567207 3.053209 
1 1 1  -18   50    4 o   9.3090   2.3193   90.695   51.104  114.340   55.633 -37.0258  129.298   10.334   2.7318   8.2839   3.7487 2.050035 4.638521 
1 1 1  -18   50    5 o   6.7341   2.2357 -19.9660   33.483 -22.4195   34.546   18.087  136.049   4.1449   1.8994   9.3232   4.0480 -5.178312 4.471478 
1 1 1  -18   50    6 o   31.385   1.1713  886.755   33.559  875.027   34.505  1091.76  144.262   29.979   0.5929   32.792   2.2663 -2.813938 2.342566 
1 1 1  -18   50    7 o   15.645   2.8108  282.646   86.346  328.436  120.933  235.026  123.325   17.070   3.7519   14.220   4.1862 2.849795 5.621508 
1 1 1  -18   50    8 o   21.168   2.2685  478.047   92.482  487.428  124.375  466.447  138.309   21.531   2.9758   20.805   3.4247 0.7263622 4.536931 
1 1 1  -18   50    9 o   9.2337   3.7108   62.892  101.731   62.892  101.731   0.0000   0.0000   9.2337   3.7108  ?   ?       ?      ? 
1 1 1  -18   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   51    1 o   19.054   1.9349  374.114   57.077  368.297   64.533  395.013  122.324   19.204   1.7311   18.904   3.4610 0.2999973 3.869784 
1 1 1  -18   51    2 o   12.929   2.4526  191.438   54.848  200.400   60.145  147.181  133.652   14.047   2.2057   11.811   4.3812 2.236092 4.905102 
1 1 1  -18   51    3 o   29.460   1.3912  794.538   57.819  760.932   62.467  995.486  152.753   27.824   1.1566   31.095   2.5306 -3.271318 2.782404 
1 1 1  -18   51    4 o   20.798   1.8245  442.935   53.007  441.558   57.735  450.325  133.743   21.131   1.4075   20.465   3.3666 0.6658974 3.648971 
1 1 1  -18   51    5 o   17.954   1.9503  342.969   36.061  343.760   37.750  334.711  121.941   18.723   1.0387   17.185   3.7598 1.537338 3.900667 
1 1 1  -18   51    6 o   9.4842   2.4446   43.601   25.954   38.305   26.431  186.434  137.265   6.1941   1.9610   12.774   4.4786 -6.580284 4.889163 
1 1 1  -18   51    7 o   19.342   3.9543  429.571  143.458   0.0000   0.0000  429.571  143.458  ?   ?    19.342   3.9543      ?      ? 
1 1 1  -18   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   52    1 o   16.530   2.4668  280.897   67.032  259.795   76.043  354.440  141.963   15.851   2.4714   17.210   4.2699 -1.359251 4.933513 
1 1 1  -18   52    2 o   8.4881   2.5628   28.532   64.748   24.301   73.821   42.639  134.798   7.4057   3.0885   9.5706   4.0906 -2.164891 5.125598 
1 1 1  -18   52    3 o   7.9985   2.3902   29.060   61.305   53.166   70.788 -43.2635  122.612   8.1156   3.1462   7.8815   3.5992 0.2341208 4.780482 
1 1 1  -18   52    4 o   17.710   2.4006  340.067   59.209  337.426   64.533  354.118  148.868   18.330   1.8136   17.089   4.4454 1.241287 4.801124 
1 1 1  -18   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   53    1 o   22.488   1.9215  512.563   83.878  512.563   83.878   0.0000   0.0000   22.488   1.9215  ?   ?       ?      ? 
1 1 1  -18   53    2 o   14.165   2.8568  219.392   75.843  219.392   75.843   0.0000   0.0000   14.165   2.8568  ?   ?       ?      ? 
1 1 1  -18   53    3 o   27.709   1.4772  764.428   79.454  764.428   79.454   0.0000   0.0000   27.709   1.4772  ?   ?       ?      ? 
1 1 1  -18   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -18   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17    0    1 o   18.615   1.6248  353.778   55.692  390.639   77.887  315.213   79.665   19.729   2.0872   17.502   2.4907 -0.000000 0.000000 
1 1 1  -17    0    2 o   55.081   0.8611  2949.61   91.928  2940.21  128.062  2959.60  132.040   54.991   1.2010   55.170   1.2343 -0.000000 0.000000 
1 1 1  -17    0    3 o  195.416   1.8749 37142.00  710.843 37330.67  998.500 36948.12  1012.21  195.923   2.6265  194.909   2.6764 -0.000000 0.000000 
1 1 1  -17    0    4 o   28.295   1.0535  781.641   57.292  759.024   77.358  809.116   85.263   27.848   1.4398   28.743   1.5382 -0.000000 0.000000 
1 1 1  -17    0    5 o   58.825   5.1263  3528.78  555.429  3026.91  760.311  4103.12  813.362   53.970   7.7139   63.679   6.7537 -0.000000 0.000000 
1 1 1  -17    0    6 o   17.085   1.7020  300.722   52.547  263.234   73.647  339.595   74.995   15.856   2.6036   18.314   2.1927 -0.000000 0.000000 
1 1 1  -17    0    7 o   38.846   0.8435  1471.18   63.381  1542.55   88.972  1397.63   90.312   39.810   1.1535   37.881   1.2311 -0.000000 0.000000 
1 1 1  -17    0    8 o   23.048   1.1895  522.031   52.398  499.825   70.784  548.951   77.936   22.509   1.6400   23.587   1.7233 -0.000000 0.000000 
1 1 1  -17    0    9 o   42.993   0.8147  1797.65   67.865  1764.00   94.635  1833.28   97.376   42.579   1.1469   43.407   1.1575 -0.000000 0.000000 
1 1 1  -17    0   10 o   41.958   6.0444  1955.49  428.167  2255.39  597.089  1638.04  614.318   46.406   7.1284   37.510   9.7635 -0.000000 0.000000 
1 1 1  -17    0   11 f   59.109   0.8686  3393.99   99.485  3331.77  137.460  3462.43  144.165   58.541   1.2108   59.677   1.2457 -0.000000 0.000000 
1 1 1  -17    0   12 o   26.616   1.0348  695.343   52.986  717.663   73.486  671.173   76.471   27.075   1.4069   26.157   1.5178 -0.000000 0.000000 
1 1 1  -17    0   13 o   11.327   5.8635 -46.9703   69.622 -49.9426   69.897  328.079  785.164   4.0111   2.7565   18.643   11.399 -0.000000 0.000000 
1 1 1  -17    0   14 o   57.738   3.5843  3047.75  130.646  3030.80  132.481  3646.99  787.685   55.827   1.2238   59.650   7.0633 -0.000000 0.000000 
1 1 1  -17    0   15 o   68.340   3.5411  4497.00  173.213  4485.53  176.465  4799.67  906.449   67.921   1.3396   68.758   6.9544 -0.000000 0.000000 
1 1 1  -17    0   16 o   21.606   6.1876  563.919   76.363  566.148   76.582  175.326  1011.17   23.968   1.6644   19.245   12.263 -0.000000 0.000000 
1 1 1  -17    0   17 o   13.187   6.0001   56.344   74.013   50.864   74.432  539.243  698.738   6.4491   3.7110   19.925   11.412 -0.000000 0.000000 
1 1 1  -17    0   18 o   98.357   3.5025 10276.08  338.948 10404.58  353.009  8758.72  1213.05  103.417   1.7596   93.296   6.7804 -0.000000 0.000000 
1 1 1  -17    0   19 o  112.471   3.1099 11014.64  358.395 10777.54  371.240 14264.15  1374.35  105.239   1.8185  119.704   5.9481 -0.000000 0.000000 
1 1 1  -17    0   20 o   43.328   8.4213  1280.50   95.716  1271.04   95.920  3491.32  1466.30   36.091   1.3737   50.565   16.787 -0.000000 0.000000 
1 1 1  -17    0   21 o   12.424   5.2483  163.882   86.622  175.084   86.787 -2787.6760  1408.73   11.622   4.1962   13.226   9.6214 -0.000000 0.000000 
1 1 1  -17    0   22 o   21.329   7.6477  369.253   89.289  368.374   89.444  622.021  1517.17   18.936   2.5661   23.722   15.079 -0.000000 0.000000 
1 1 1  -17    0   23 o   21.841   6.9273  545.348   90.500  547.532   90.646 -132.5439  1597.03   23.444   2.0267   20.238   13.706 -0.000000 0.000000 
1 1 1  -17    0   24 o   9.1459   4.4094  122.081   90.839  122.081   90.839   0.0000   0.0000   9.1459   4.4094   9.1459   4.4094 -0.000000 0.000000 
1 1 1  -17    0   25 o   10.069   3.6824  133.041   66.384  133.041   66.384   0.0000   0.0000   10.069   3.6824   10.069   3.6824 -0.000000 0.000000 
1 1 1  -17    0   26 o   19.361   2.0714  379.331   75.603  379.331   75.603   0.0000   0.0000   19.361   2.0714   19.361   2.0714 -0.000000 0.000000 
1 1 1  -17    0   27 o   3.3675   2.4060 -105.2927   71.225 -105.2927   71.225   0.0000   0.0000   3.3675   2.4060   3.3675   2.4060 -0.000000 0.000000 
1 1 1  -17    0   28 f   19.349   1.8332  376.861   67.435  376.861   67.435   0.0000   0.0000   19.349   1.8332   19.349   1.8332 -0.000000 0.000000 
1 1 1  -17    0   29 o   10.062   5.2900  161.723  136.925  161.723  136.925   0.0000   0.0000   10.062   5.2900   10.062   5.2900 -0.000000 0.000000 
1 1 1  -17    0   30 o   10.053   5.3885  165.820  144.373  165.820  144.373   0.0000   0.0000   10.053   5.3885   10.053   5.3885 -0.000000 0.000000 
1 1 1  -17    0   31 o   14.592   5.5909  315.803  149.589  315.803  149.589   0.0000   0.0000   14.592   5.5909   14.592   5.5909 -0.000000 0.000000 
1 1 1  -17    1    1 f  105.562   0.8741 10813.89  179.045 10487.83  249.034 11162.76  257.598  103.917   1.2345  107.208   1.2378 -3.291374 1.748216 
1 1 1  -17    1    2 o  110.467   0.9110 11849.87  195.333 12063.98  278.514 11642.61  274.024  111.449   1.2874  109.485   1.2893 1.963737 1.822015 
1 1 1  -17    1    3 o  125.916   1.0046 15399.91  245.516 15494.09  350.784 15309.47  343.747  126.293   1.4309  125.540   1.4106 0.7531662 2.009234 
1 1 1  -17    1    4 o   71.445   0.6692  4955.61   92.811  4883.44  130.539  5029.39  131.982   70.919   0.9482   71.971   0.9447 -1.052071 1.338498 
1 1 1  -17    1    5 f   36.344   0.6236  1280.42   43.956  1214.91   60.874  1351.79   63.536   35.374   0.8865   37.313   0.8772 -1.939690 1.247143 
1 1 1  -17    1    6 o   43.718   0.5887  1856.29   49.943  1896.31   70.218  1815.32   71.048   44.195   0.8185   43.241   0.8464 0.9545212 1.177445 
1 1 1  -17    1    7 o   41.824   0.5971  1698.96   48.458  1738.38   68.218  1658.82   68.847   42.314   0.8305   41.334   0.8580 0.9800224 1.194140 
1 1 1  -17    1    8 o  104.234   0.8599 10551.70  173.981 10598.76  247.565 10505.78  244.555  104.463   1.2208  104.004   1.2113 0.4586487 1.719815 
1 1 1  -17    1    9 f  109.702   0.9014 11689.80  191.958 11732.51  271.502 11647.11  271.439  109.903   1.2726  109.502   1.2770 0.4010315 1.802845 
1 1 1  -17    1   10 o   66.358   0.6424  4275.73   82.735  4355.27  117.140  4196.54  116.870   66.974   0.9010   65.741   0.9158 1.232178 1.284729 
1 1 1  -17    1   11 o   37.806   0.5905  1389.20   43.290  1452.86   60.885  1324.11   61.563   38.683   0.8108   36.929   0.8588 1.754562 1.181078 
1 1 1  -17    1   12 o   51.719   0.5856  2596.83   58.784  2664.67   83.652  2530.65   82.625   52.386   0.8226   51.052   0.8338 1.334671 1.171247 
1 1 1  -17    1   13 o   48.066   0.8100  2244.73   75.561  2188.71  107.013  2300.43  106.707   47.468   1.1614   48.665   1.1296 -1.197487 1.620098 
1 1 1  -17    1   14 o  126.410   1.3090 15543.37  321.205 15462.40  454.293 15624.30  454.211  126.080   1.8562  126.740   1.8462 -0.6598129 2.617999 
1 1 1  -17    1   15 o  170.534   1.5751 28320.28  521.379 27930.04  734.956 28715.62  739.749  169.349   2.2357  171.719   2.2192 -2.369385 3.150128 
1 1 1  -17    1   16 o   23.737   1.1810  549.217   54.283  509.815   77.301  587.550   76.246   22.893   1.7395   24.581   1.5979 -1.687691 2.362006 
1 1 1  -17    1   17 o   76.620   0.9889  5707.25  147.082  5693.61  208.801  5720.68  207.219   76.529   1.4055   76.712   1.3916 -0.1829529 1.977870 
1 1 1  -17    1   18 o   27.657   1.1100  743.105   59.423  757.250   87.757  731.128   80.752   27.898   1.6205   27.416   1.5173 0.4812412 2.219974 
1 1 1  -17    1   19 o   45.674   0.8883  2027.40   78.698  2044.04  113.787  2012.15  108.960   45.852   1.2784   45.495   1.2338 0.3563309 1.776667 
1 1 1  -17    1   20 o  123.760   1.3682 14928.37  328.700 14818.01  464.607 15038.95  465.098  123.301   1.9411  124.220   1.9288 -0.9191284 2.736470 
1 1 1  -17    1   21 o   25.872   1.2310  649.497   61.652  721.341   90.203  586.513   84.458   27.211   1.7077   24.533   1.7735 2.678040 2.462001 
1 1 1  -17    1   22 o   54.160   0.9150  2857.59   96.092  2766.69  137.665  2943.96  134.192   53.315   1.3302   55.005   1.2568 -1.689808 1.829998 
1 1 1  -17    1   23 o   21.600   1.4755  457.824   61.734  488.568   86.892  426.486   87.725   22.342   2.0035   20.859   2.1665 1.482491 2.950931 
1 1 1  -17    1   24 o   13.776   2.1819  206.121   56.215  143.212   94.962  240.060   69.750   11.933   3.7082   15.619   2.3005 -3.685658 4.363866 
1 1 1  -17    1   25 o   48.012   0.7256  2244.77   67.596  2253.53   97.012  2236.50   94.240   48.101   1.0390   47.923   1.0130 0.1779747 1.451109 
1 1 1  -17    1   26 o   83.744   0.8380  6847.67  136.225  6857.49  193.611  6838.04  191.707   83.801   1.1902   83.686   1.1801 0.1147003 1.676064 
1 1 1  -17    1   27 o   28.695   1.0111  810.862   56.146  758.225   80.686  860.277   78.178   27.773   1.4966   29.616   1.3598 -1.842619 2.022126 
1 1 1  -17    1   28 o   21.893   1.1640  472.991   49.396  509.163   70.892  438.859   68.864   22.715   1.6078   21.072   1.6836 1.643164 2.327947 
1 1 1  -17    1   29 o   13.900   2.6409  190.617   94.375  412.629  131.972 -41.7432  135.012   19.364   3.6447   8.4360   3.8229 10.92788 5.281887 
1 1 1  -17    1   30 o   32.636   1.6795  1091.33  106.301  1044.46  150.845  1137.58  149.826   31.895   2.4363   33.377   2.3124 -1.481972 3.359042 
1 1 1  -17    1   31 o   26.177   2.1461  734.297  108.365  782.961  164.405  696.911  144.098   26.832   3.1564   25.523   2.9085 1.309439 4.292147 
1 1 1  -17    2    1 o   68.279   0.6691  4524.64   88.662  4418.54  123.869  4636.10  126.963   67.459   0.9459   69.100   0.9465 -1.640839 1.338170 
1 1 1  -17    2    2 o   54.990   0.6085  2935.72   64.953  2907.22   91.465  2964.70   92.255   54.721   0.8611   55.259   0.8600 -0.5383453 1.217009 
1 1 1  -17    2    3 o   66.898   0.6521  4345.18   84.686  4322.15  119.552  4368.38  119.976   66.720   0.9231   67.076   0.9214 -0.3559875 1.304266 
1 1 1  -17    2    4 f   55.769   0.6094  3018.45   65.962  3079.70   94.519  2960.29   92.096   56.321   0.8645   55.218   0.8592 1.102573 1.218871 
1 1 1  -17    2    5 o   55.875   0.6034  3029.14   65.426  3127.16   93.905  2936.68   91.207   56.753   0.8524   54.998   0.8543 1.755730 1.206814 
1 1 1  -17    2    6 o  123.551   0.9815 14828.97  235.378 14753.89  334.493 14902.61  331.280  123.241   1.3982  123.862   1.3778 -0.6210938 1.962992 
1 1 1  -17    2    7 o   92.365   0.7877  8284.98  141.229  8326.17  199.500  8243.60  199.957   92.595   1.1099   92.135   1.1180 0.4606400 1.575396 
1 1 1  -17    2    8 o   76.825   0.7042  5730.93  105.009  5791.58  148.906  5670.93  148.109   77.229   0.9933   76.421   0.9984 0.8088531 1.408323 
1 1 1  -17    2    9 o   35.797   0.6282  1244.12   43.650  1254.50   62.140  1234.00   61.329   35.945   0.8906   35.650   0.8862 0.2948380 1.256397 
1 1 1  -17    2   10 o  120.451   0.9563 14094.42  223.605 14062.24  316.821 14126.37  315.632  120.313   1.3565  120.588   1.3484 -0.2747192 1.912680 
1 1 1  -17    2   11 o   55.577   0.5961  2999.05   64.314  2992.42   90.871  3005.70   91.035   55.516   0.8432   55.639   0.8429 -0.1230164 1.192264 
1 1 1  -17    2   12 o   76.729   0.6972  5717.49  103.840  5723.99  146.807  5710.98  146.896   76.773   0.9851   76.686   0.9868 0.8736420E-01 1.394336 
1 1 1  -17    2   13 o   88.560   1.0621  7622.45  182.553  7634.71  261.050  7610.72  255.380   88.628   1.5173   88.492   1.4867 0.1368637 2.124283 
1 1 1  -17    2   14 o   78.522   0.9847  5989.46  150.060  5850.60  209.906  6134.61  214.606   77.592   1.3936   79.453   1.3915 -1.861115 1.969345 
1 1 1  -17    2   15 o   44.531   0.8437  1928.72   72.836  1822.23  103.352  2033.78  102.662   43.307   1.2294   45.755   1.1559 -2.447536 1.687435 
1 1 1  -17    2   16 o   52.020   0.8397  2629.44   84.742  2623.94  121.951  2634.57  117.841   51.967   1.2089   52.074   1.1658 -0.1071205 1.679433 
1 1 1  -17    2   17 o   13.433   1.9930  183.018   51.708  259.053   73.736  109.448   72.531   16.301   2.3303   10.566   3.2338 5.734778 3.985930 
1 1 1  -17    2   18 o   81.553   1.0410  6463.24  164.662  6586.32  238.691  6351.48  227.449   82.291   1.4942   80.815   1.4499 1.475449 2.082029 
1 1 1  -17    2   19 f  109.719   1.2734 11725.14  271.165 11667.75  386.919 11780.53  380.141  109.451   1.8211  109.987   1.7805 -0.5361023 2.546873 
1 1 1  -17    2   20 o  108.496   1.2726 11467.00  268.009 11296.70  378.876 11637.57  379.168  107.687   1.8125  109.305   1.7870 -1.618195 2.545272 
1 1 1  -17    2   21 o   43.532   0.9264  1841.20   78.174  1880.82  114.121  1806.17  107.304   43.970   1.3370   43.093   1.2828 0.8776093 1.852869 
1 1 1  -17    2   22 o   55.311   0.9188  2979.38   98.574  2916.32  141.292  3039.17  137.592   54.737   1.3298   55.885   1.2683 -1.148216 1.837632 
1 1 1  -17    2   23 o   42.884   0.9540  1791.95   79.396  1784.87  113.305  1798.78  111.289   42.799   1.3638   42.969   1.3342 -0.1700363 1.907911 
1 1 1  -17    2   24 o   32.417   1.0407  1039.33   61.932  982.920  104.977  1069.45   76.702   31.702   1.7059   33.132   1.1926 -1.430536 2.081411 
1 1 1  -17    2   25 o   58.774   0.7244  3361.35   82.604  3457.38  119.152  3272.48  114.620   59.581   1.0302   57.968   1.0186 1.612896 1.448765 
1 1 1  -17    2   26 o   33.302   0.8846  1085.47   56.987  1060.47   83.581  1107.18   77.901   32.933   1.3074   33.671   1.1918 -0.7382813 1.769120 
1 1 1  -17    2   27 f   23.409   1.1878  539.027   53.905  571.965   78.634  509.827   74.039   24.081   1.6822   22.737   1.6775 1.344685 2.375653 
1 1 1  -17    2   28 o   21.587   1.2048  457.786   49.842  479.447   77.623  442.590   65.015   21.991   1.8184   21.183   1.5811 0.8078117 2.409627 
1 1 1  -17    2   29 o   11.010   2.9849  107.669   91.347   59.792  131.713  152.038  126.796   10.012   4.1461   12.009   4.2951 -1.997028 5.969762 
1 1 1  -17    2   30 o   15.171   3.0993  272.754   99.482  193.000  139.003  356.500  142.439   12.947   4.5087   17.395   4.2537 -4.447879 6.198589 
1 1 1  -17    2   31 o   38.267   1.5883  1512.83  117.427  1363.81  166.983  1658.63  165.167   36.270   2.3717   40.264   2.1132 -3.994091 3.176533 
1 1 1  -17    3    1 o  130.299   1.0412 16504.59  262.977 16715.74  363.628 16273.07  380.774  131.177   1.4280  129.421   1.5156 1.755676 2.082408 
1 1 1  -17    3    2 o   40.014   0.6204  1552.68   48.161  1611.45   69.590  1498.65   66.722   40.740   0.8800   39.288   0.8749 1.451767 1.240851 
1 1 1  -17    3    3 o   14.332   1.4207  205.241   37.518  259.912   53.446  152.127   52.679   16.354   1.6835   12.309   2.2889 4.045040 2.841327 
1 1 1  -17    3    4 o   32.424   0.6732  1020.47   42.368  999.806   59.307  1042.01   60.547   32.089   0.9521   32.759   0.9521 -0.6702118 1.346488 
1 1 1  -17    3    5 o   66.371   0.6438  4276.95   82.945  4290.62  117.564  4263.40  117.043   66.476   0.9111   66.265   0.9099 0.2111053 1.287609 
1 1 1  -17    3    6 o   41.325   0.7050  1625.02   54.462  1541.86   67.602  1778.80   91.931   39.850   0.8739   42.799   1.1065 -2.948315 1.410002 
1 1 1  -17    3    7 o   48.152   0.5951  2250.71   55.620  2224.25   77.981  2278.12   79.352   47.864   0.8393   48.440   0.8439 -0.5761375 1.190211 
1 1 1  -17    3    8 o   89.348   0.7719  7752.38  133.870  7739.78  188.817  7765.12  189.829   89.275   1.0896   89.420   1.0936 -0.1458435 1.543727 
1 1 1  -17    3    9 o   36.166   0.6118  1270.66   42.918  1291.55   59.878  1248.59   61.546   36.472   0.8457   35.860   0.8841 0.6122551 1.223518 
1 1 1  -17    3   10 o   67.130   0.6519  4375.72   84.944  4384.75  119.791  4366.58  120.470   67.199   0.9183   67.060   0.9255 0.1395111 1.303754 
1 1 1  -17    3   11 o   74.196   0.6871  5345.00   98.952  5435.48  140.851  5256.83  139.045   74.816   0.9698   73.576   0.9735 1.239944 1.374177 
1 1 1  -17    3   12 o   77.718   0.8556  5860.39  122.835  5890.87  208.990  5844.31  151.828   77.862   1.3827   77.574   1.0083 0.2877197 1.711284 
1 1 1  -17    3   13 o   37.036   0.8381  1333.38   60.126  1317.46   87.620  1347.54   82.659   36.826   1.2257   37.246   1.1433 -0.4203491 1.676129 
1 1 1  -17    3   14 o   46.693   0.8271  2115.17   74.878  2171.15  109.149  2065.40  102.912   47.275   1.1894   46.111   1.1497 1.164322 1.654246 
1 1 1  -17    3   15 o   32.978   0.9335  1048.00   59.510  1176.31   88.881  943.742   80.118   34.793   1.3160   31.164   1.3244 3.628859 1.867056 
1 1 1  -17    3   16 o   63.542   0.8824  3924.86  108.797  3817.35  154.443  4030.77  153.288   62.676   1.2694   64.407   1.2261 -1.730831 1.764821 
1 1 1  -17    3   17 o   37.321   0.8813  1364.11   63.315  1244.80   93.054  1466.97   86.398   35.786   1.3396   38.856   1.1455 -3.070278 1.762526 
1 1 1  -17    3   18 o   38.707   0.9119  1454.53   68.119  1473.86  102.288  1439.12   91.313   38.935   1.3534   38.479   1.2225 0.4555016 1.823748 
1 1 1  -17    3   19 o  137.532   1.4677 18442.79  391.797 18422.58  549.745 18463.65  558.528  137.460   2.0602  137.604   2.0910 -0.1438446 2.935430 
1 1 1  -17    3   20 o   59.163   0.9279  3402.65  106.388  3423.63  155.202  3384.06  146.120   59.331   1.3476   58.994   1.2760 0.3377380 1.855802 
1 1 1  -17    3   21 o   37.633   0.9969  1381.36   72.541  1335.88  106.356  1420.92   99.196   37.047   1.4789   38.218   1.3371 -1.170837 1.993738 
1 1 1  -17    3   22 o   15.119   2.0176  231.940   57.427  198.933   84.163  260.695   78.555   13.931   3.1819   16.307   2.4816 -2.375695 4.035227 
1 1 1  -17    3   23 o   25.729   1.2949  645.732   64.607  681.651   93.880  613.416   89.047   26.407   1.8314   25.051   1.8312 1.356548 2.589862 
1 1 1  -17    3   24 o   50.063   0.8575  2471.12   79.633  2340.75  132.123  2545.50   99.797   48.983   1.3895   51.143   1.0052 -2.159775 1.715011 
1 1 1  -17    3   25 o   15.519   1.8797  227.927   53.640  342.973   87.870  159.588   67.723   18.619   2.4312   12.418   2.8673 6.200224 3.759318 
1 1 1  -17    3   26 o   14.196   1.8735  208.759   49.850  161.382   71.653  253.199   69.398   12.414   3.0055   15.978   2.2375 -3.563601 3.746936 
1 1 1  -17    3   27 o   29.410   0.9772  844.028   55.633  919.515   82.397  780.786   75.419   30.610   1.3867   28.209   1.3773 2.401394 1.954457 
1 1 1  -17    3   28 o   27.231   1.0472  741.624   54.270  656.948   82.349  806.637   72.156   25.790   1.6449   28.672   1.2965 -2.881933 2.094419 
1 1 1  -17    3   29 o   31.362   1.6647  1000.15  101.123  940.988  144.441  1057.02  141.621   30.395   2.4480   32.329   2.2566 -1.934092 3.329467 
1 1 1  -17    3   30 o   31.665   1.7121  1029.49  104.871  1137.81  149.822  925.441  146.844   33.374   2.3126   29.956   2.5253 3.418598 3.424201 
1 1 1  -17    3   31 o   36.007   1.6598  1341.99  115.887  1426.08  165.610  1261.32  162.221   37.161   2.2958   34.854   2.3977 2.307514 3.319591 
1 1 1  -17    4    1 o   60.434   0.6264  3546.11   73.472  3475.92  103.678  3616.91  104.132   59.833   0.8926   61.035   0.8789 -1.201725 1.252711 
1 1 1  -17    4    2 f  104.318   0.8633 10568.63  174.815 10536.24  246.108 10601.61  248.360  104.157   1.2172  104.479   1.2246 -0.3222198 1.726623 
1 1 1  -17    4    3 o  161.576   1.1709 25367.15  367.205 25270.60  515.505 25466.60  523.194  161.265   1.6467  161.887   1.6649 -0.6221161 2.341712 
1 1 1  -17    4    4 o   29.574   0.6984  849.127   40.092  837.082   56.379  861.448   57.024   29.361   0.9892   29.786   0.9862 -0.4243031 1.396834 
1 1 1  -17    4    5 o   49.325   0.5894  2362.11   56.434  2337.51   79.741  2386.79   79.878   49.068   0.8372   49.582   0.8299 -0.5146294 1.178831 
1 1 1  -17    4    6 o   21.440   0.9340  446.126   38.845  423.937   54.175  469.603   55.727   20.891   1.3359   21.988   1.3056 -1.096786 1.867935 
1 1 1  -17    4    7 o  129.958   1.0156 16407.25  256.203 16442.16  363.377 16372.75  361.284  130.096   1.4389  129.821   1.4336 0.2744598 2.031189 
1 1 1  -17    4    8 o   38.598   0.8020  1455.19   55.019  1467.82   65.859  1426.00  100.102   38.881   0.8726   38.314   1.3459 0.5673103 1.604028 
1 1 1  -17    4    9 o   49.000   0.5890  2330.22   55.978  2308.75   77.417  2353.73   81.037   48.764   0.8178   49.236   0.8479 -0.4721298 1.178036 
1 1 1  -17    4   10 f   95.661   0.8100  8887.68  150.402  8915.49  212.378  8859.70  213.023   95.811   1.1419   95.511   1.1490 0.3005753 1.619900 
1 1 1  -17    4   11 o   60.807   0.6260  3587.07   73.838  3512.05  102.157  3669.13  106.847   60.142   0.8750   61.471   0.8954 -1.329620 1.251981 
1 1 1  -17    4   12 o   50.076   0.7007  2427.19   65.213  2463.21  109.738  2407.52   81.084   50.358   1.1226   49.794   0.8389 0.5642052 1.401399 
1 1 1  -17    4   13 o   49.127   0.8150  2339.23   77.601  2434.26  113.629  2256.16  106.232   50.059   1.1693   48.194   1.1355 1.864929 1.629951 
1 1 1  -17    4   14 o   68.902   0.9223  4612.11  123.320  4640.19  177.019  4585.63  171.894   69.105   1.3196   68.699   1.2890 0.4057617 1.844680 
1 1 1  -17    4   15 o  137.809   1.3964 18482.22  373.553 18428.47  529.082 18535.66  527.490  137.608   1.9807  138.010   1.9690 -0.4017944 2.792841 
1 1 1  -17    4   16 o   82.206   1.0148  6569.10  161.913  6575.35  230.762  6563.06  227.239   82.244   1.4454   82.169   1.4247 0.7508087E-01 2.029510 
1 1 1  -17    4   17 o   74.520   0.9655  5387.98  139.450  5575.96  204.177  5223.62  190.915   75.734   1.3888   73.306   1.3416 2.427856 1.931020 
1 1 1  -17    4   18 o   53.597   0.8788  2793.35   91.117  2778.06  134.322  2806.38  124.012   53.458   1.2944   53.737   1.1889 -0.2783279 1.757511 
1 1 1  -17    4   19 o   32.528   1.0420  1023.73   65.038  1065.22  100.722  994.071   85.175   33.085   1.5683   31.971   1.3725 1.114016 2.084053 
1 1 1  -17    4   20 o   98.268   1.1920  9401.51  227.332  9443.95  325.302  9361.00  317.819   98.481   1.7016   98.054   1.6697 0.4275589 2.384037 
1 1 1  -17    4   21 o   64.013   0.9503  3983.19  117.892  4041.21  172.209  3932.02  161.732   64.447   1.3765   63.578   1.3105 0.8693123 1.900560 
1 1 1  -17    4   22 o   67.243   0.9654  4403.00  125.979  4365.72  179.860  4438.91  176.511   66.961   1.3837   67.525   1.3466 -0.5646439 1.930803 
1 1 1  -17    4   23 o   37.905   0.8940  1379.74   62.581  1462.11  107.818  1337.89   76.851   38.727   1.4342   37.082   1.0676 1.645447 1.787943 
1 1 1  -17    4   24 o   43.406   0.8785  1819.54   70.549  1891.19  120.537  1782.20   87.010   44.024   1.4105   42.788   1.0476 1.236450 1.756930 
1 1 1  -17    4   25 o   25.440   1.1904  645.194   56.218  593.524   92.269  675.700   70.898   24.578   1.9340   26.302   1.3886 -1.724051 2.380874 
1 1 1  -17    4   26 o   49.063   0.7330  2347.50   69.769  2345.89  100.309  2349.00   97.106   49.042   1.0537   49.083   1.0192 -0.4024124E-01 1.465924 
1 1 1  -17    4   27 o   22.228   1.2595  490.660   53.902  468.632   80.450  508.605   72.610   21.744   1.9060   22.712   1.6469 -0.9681740 2.518915 
1 1 1  -17    4   28 o   25.301   1.1465  629.161   56.016  659.614   84.379  605.164   74.902   25.829   1.6829   24.773   1.5576 1.056477 2.293094 
1 1 1  -17    4   29 o   27.870   1.9085  801.927  102.783  763.378  150.056  835.998  141.074   27.147   2.8475   28.593   2.5417 -1.445564 3.816905 
1 1 1  -17    4   30 o   23.420   2.3506  587.236  106.506  656.150  156.661  528.013  145.231   24.732   3.2631   22.107   3.3843 2.625425 4.701200 
1 1 1  -17    4   31 o   34.560   1.7179  1242.17  115.232  1217.60  161.284  1267.78  164.696   34.212   2.4286   34.908   2.4305 -0.6960602 3.435864 
1 1 1  -17    5    1 o   99.924   0.8438  9697.54  163.669  9776.04  230.921  9618.30  232.007  100.331   1.1857   99.517   1.2010 0.8134689 1.687659 
1 1 1  -17    5    2 o   33.008   0.6660  1057.56   42.667  1081.79   60.971  1034.31   59.730   33.379   0.9410   32.638   0.9428 0.7406654 1.332007 
1 1 1  -17    5    3 o   17.030   1.1524  284.051   37.727  241.388   53.801  325.325   52.917   15.760   1.7586   18.299   1.4897 -2.539436 2.304754 
1 1 1  -17    5    4 o   16.344   1.5114  248.540   43.996  233.030   51.926  288.009   82.835   15.485   1.7274   17.204   2.4805 -1.718480 3.022704 
1 1 1  -17    5    5 o   61.600   0.6239  3681.86   74.580  3575.32  104.006  3794.62  107.001   60.683   0.8829   62.516   0.8817 -1.833401 1.247790 
1 1 1  -17    5    6 o   95.660   0.8185  8886.84  151.972  8893.64  213.828  8879.91  216.032   95.697   1.1511   95.622   1.1638 0.7450104E-01 1.636914 
1 1 1  -17    5    7 o  126.287   1.1524 15504.94  272.764 15525.45  343.718 15470.06  448.273  126.419   1.4006  126.155   1.8305 0.2648926 2.304900 
1 1 1  -17    5    8 o  128.765   1.0214 16108.74  255.303 16121.60  360.279 16095.76  361.831  128.817   1.4408  128.713   1.4482 0.1039124 2.042799 
1 1 1  -17    5    9 o   80.973   0.7346  6367.29  115.466  6432.83  163.404  6301.92  163.183   81.390   1.0343   80.557   1.0435 0.8327560 1.469233 
1 1 1  -17    5   10 o   55.627   0.6012  3004.40   64.914  3000.52   91.733  3008.30   91.872   55.591   0.8501   55.663   0.8503 -0.7197571E-01 1.202320 
1 1 1  -17    5   11 o  109.347   0.9026 11615.02  191.586 11583.71  270.137 11646.70  271.757  109.199   1.2744  109.495   1.2786 -0.2961960 1.805210 
1 1 1  -17    5   12 o   30.151   0.8505  907.601   45.940  817.711   80.540  950.951   55.931   29.008   1.4303   31.293   0.9207 -2.285431 1.701046 
1 1 1  -17    5   13 o   40.663   0.8308  1605.17   65.323  1617.53   96.912  1594.88   88.431   40.805   1.2235   40.521   1.1243 0.2837296 1.661593 
1 1 1  -17    5   14 o   33.601   0.8917  1108.03   57.206  1028.65   87.456  1167.40   75.629   32.535   1.3848   34.667   1.1238 -2.132000 1.783418 
1 1 1  -17    5   15 o   55.509   0.8619  2995.26   92.807  2942.38  132.981  3045.46  129.584   55.030   1.2449   55.988   1.1923 -0.9580803 1.723750 
1 1 1  -17    5   16 o   40.453   0.8571  1591.99   66.866  1572.55  100.139  1607.64   89.824   40.227   1.2824   40.679   1.1375 -0.4517250 1.714213 
1 1 1  -17    5   17 o   24.639   1.1668  599.027   54.679  542.182   83.899  640.998   72.092   23.601   1.8313   25.676   1.4464 -2.074541 2.333628 
1 1 1  -17    5   18 o   47.252   0.8495  2167.72   77.825  2213.03  113.339  2127.30  107.052   47.717   1.2236   46.786   1.1787 0.9310951 1.698991 
1 1 1  -17    5   19 o   30.025   1.0405  865.530   60.116  963.901   92.769  794.317   78.932   31.474   1.5184   28.576   1.4230 2.898100 2.080952 
1 1 1  -17    5   20 o   47.210   0.9130  2176.95   83.081  2076.37  123.441  2260.24  112.331   46.203   1.3763   48.218   1.2001 -2.014751 1.826089 
1 1 1  -17    5   21 o   60.581   0.9434  3564.88  110.697  3649.11  162.829  3492.49  150.943   61.241   1.3697   59.920   1.2977 1.321186 1.886818 
1 1 1  -17    5   22 o   28.095   1.1849  771.534   64.457  737.282   93.209  802.925   89.232   27.490   1.7467   28.700   1.6017 -1.209410 2.369857 
1 1 1  -17    5   23 o   65.561   0.8673  4169.26  104.498  4235.18  180.118  4135.81  128.298   65.916   1.4077   65.205   1.0136 0.7108841 1.734637 
1 1 1  -17    5   24 f   53.313   0.8391  2787.40   83.123  2705.31  138.311  2833.81  103.999   52.664   1.3529   53.962   0.9928 -1.298084 1.678154 
1 1 1  -17    5   25 o   40.134   0.9031  1583.31   67.161  1532.66  112.346  1611.47   83.779   39.597   1.4616   40.671   1.0612 -1.073364 1.806196 
1 1 1  -17    5   26 o   35.262   0.8180  1214.22   55.964  1164.45   78.858  1264.72   79.434   34.530   1.1765   35.993   1.1369 -1.463337 1.636044 
1 1 1  -17    5   27 o   20.541   1.3474  423.251   53.019  357.035   76.595  484.162   73.463   18.938   2.0835   22.144   1.7090 -3.206123 2.694762 
1 1 1  -17    5   28 f   22.878   1.6572  510.129   67.346  486.724   79.701  568.557  125.930   22.141   1.8544   23.616   2.7470 -1.474762 3.314343 
1 1 1  -17    5   29 o   27.899   1.8525  803.991   99.528  733.362  145.381  866.294  136.543   26.622   2.8132   29.175   2.4109 -2.553621 3.704994 
1 1 1  -17    5   30 o   9.8370   2.9615   47.552   99.257   41.322  140.585   53.745  140.157   9.7344   4.1695   9.9396   4.2069 -0.2052011 5.923081 
1 1 1  -17    5   31 o   14.566   3.3668  272.992  110.488  307.621  154.576  236.818  157.987   15.467   4.7184   13.665   4.8041 1.801943 6.733695 
1 1 1  -17    6    1 o   70.744   0.6763  4859.07   92.873  4815.55  130.677  4903.48  132.018   70.424   0.9559   71.064   0.9570 -0.6400223 1.352639 
1 1 1  -17    6    2 o   52.972   0.6045  2723.07   62.144  2670.64   86.642  2778.62   89.182   52.447   0.8510   53.497   0.8588 -1.049709 1.209024 
1 1 1  -17    6    3 o  177.953   1.2331 30770.22  425.904 31171.76  607.601 30382.35  597.171  179.094   1.7477  176.812   1.7399 2.281219 2.466122 
1 1 1  -17    6    4 o  122.314   0.9658 14532.79  229.297 14476.79  325.226 14588.13  323.331  122.080   1.3724  122.549   1.3592 -0.4695282 1.931521 
1 1 1  -17    6    5 o  131.827   1.0223 16882.09  261.578 16866.51  366.933 16898.19  372.996  131.766   1.4346  131.888   1.4569 -0.1218719 2.044646 
1 1 1  -17    6    6 o  116.376   0.9299 13154.77  210.076 13233.66  297.704 13076.53  296.483  116.723   1.3139  116.028   1.3164 0.6951599 1.859867 
1 1 1  -17    6    7 o   97.812   0.8280  9291.16  157.200  9325.80  223.830  9257.44  220.829   97.992   1.1767   97.632   1.1652 0.3592529 1.655985 
1 1 1  -17    6    8 o  118.273   0.9541 13584.99  219.006 13898.16  312.558 13282.95  306.960  119.612   1.3461  116.934   1.3523 2.677788 1.908103 
1 1 1  -17    6    9 o  177.725   1.2466 30699.43  430.034 30200.48  604.150 31211.86  612.252  176.261   1.7657  179.189   1.7602 -2.927948 2.493180 
1 1 1  -17    6   10 o   92.972   0.7991  8395.27  144.205  8466.02  203.546  8323.98  204.330   93.366   1.1231   92.578   1.1370 0.7872696 1.598145 
1 1 1  -17    6   11 o   28.422   0.6899  784.295   38.027  738.108   53.274  832.273   54.297   27.569   0.9955   29.276   0.9554 -1.706450 1.379786 
1 1 1  -17    6   12 o   68.025   0.7967  4480.87   99.218  4536.36  172.263  4453.32  121.372   68.330   1.2987   67.719   0.9233 0.6112137 1.593459 
1 1 1  -17    6   13 o   78.504   0.9762  5989.23  148.741  5957.92  212.155  6019.51  208.594   78.301   1.3958   78.707   1.3653 -0.4056931 1.952491 
1 1 1  -17    6   14 o  101.857   1.1583 10084.99  228.859 10143.40  330.325 10031.06  317.373  102.137   1.6661  101.576   1.6096 0.5610428 2.316581 
1 1 1  -17    6   15 o  100.827   1.1668  9885.44  228.348  9912.69  325.553  9859.05  320.376  100.962   1.6611  100.691   1.6391 0.2709808 2.333641 
1 1 1  -17    6   16 o   33.332   0.9505  1080.89   60.799  1072.56   93.118  1087.09   80.272   33.216   1.4442   33.447   1.2363 -0.2312393 1.901092 
1 1 1  -17    6   17 o   12.949   2.0920  164.684   51.418  221.168   79.764  124.524   67.257   14.793   2.8814   11.106   3.0338 3.686610 4.184062 
1 1 1  -17    6   18 o   28.218   1.0648  787.336   57.085  700.443   87.348  852.118   75.420   26.829   1.6772   29.607   1.3123 -2.777426 2.129577 
1 1 1  -17    6   19 o   20.875   1.5172  436.902   59.730  357.393   90.343  498.647   79.613   19.126   2.4333   22.625   1.8127 -3.498690 3.034338 
1 1 1  -17    6   20 o   47.212   0.9175  2174.05   83.341  2116.20  125.656  2219.50  111.358   46.643   1.3878   47.781   1.2006 -1.138062 1.835087 
1 1 1  -17    6   21 o   99.803   1.2365  9705.97  239.506  9752.34  342.291  9661.49  335.245  100.033   1.7627   99.573   1.7344 0.4605560 2.472945 
1 1 1  -17    6   22 o   65.887   0.9740  4226.51  124.457  4245.39  180.206  4209.29  172.091   66.023   1.4061   65.751   1.3483 0.2722702 1.948068 
1 1 1  -17    6   23 o   27.147   1.1860  739.651   57.528  667.005  101.270  774.263   69.902   26.101   1.9988   28.194   1.2772 -2.092840 2.372000 
1 1 1  -17    6   24 o   11.203   2.3091  126.791   51.668  128.873   87.588  125.680   63.986   11.354   3.5668   11.053   2.9335 0.3011742 4.618176 
1 1 1  -17    6   25 o   30.092   1.0600  852.216   59.715  1010.67  101.700  768.844   73.770   32.125   1.6308   28.058   1.3544 4.066908 2.119938 
1 1 1  -17    6   26 o   30.878   1.0631  948.268   59.859  895.080  102.711  975.626   73.662   30.155   1.7546   31.600   1.2008 -1.445032 2.126223 
1 1 1  -17    6   27 o   34.586   0.8574  1170.81   57.549  1203.59   82.257  1139.38   80.543   35.061   1.2086   34.111   1.2164 0.9500580 1.714719 
1 1 1  -17    6   28 o   23.204   1.6394  539.382   67.273  536.229   80.108  546.924  123.904   23.258   1.7744   23.149   2.7573 0.1088181 3.278871 
1 1 1  -17    6   29 o   24.748   1.6287  642.843   67.797  668.501   79.414  573.881  130.194   25.974   1.5751   23.523   2.8513 2.451174 3.257408 
1 1 1  -17    6   30 o   19.043   2.8144  419.898  100.564  384.577  146.029  451.758  138.692   18.057   4.2388   20.030   3.7035 -1.972813 5.628790 
1 1 1  -17    6   31 o   17.514   3.1360  378.592  106.789  335.098  145.393  429.539  157.360   16.370   4.4559   18.657   4.4140 -2.286167 6.272038 
1 1 1  -17    7    1 o  178.831   1.2461 31086.24  432.495 31417.11  608.352 30748.13  614.984  179.795   1.7431  177.866   1.7812 1.929733 2.492152 
1 1 1  -17    7    2 o   91.706   0.7938  8166.75  141.306  8270.54  200.468  8064.25  199.211   92.285   1.1190   91.127   1.1262 1.158516 1.587611 
1 1 1  -17    7    3 o   50.608   0.6048  2485.73   59.401  2437.00   83.062  2536.74   84.984   50.101   0.8541   51.115   0.8565 -1.014835 1.209545 
1 1 1  -17    7    4 o   41.198   0.6105  1644.66   48.776  1731.89   70.841  1566.02   67.258   42.235   0.8641   40.162   0.8627 2.073418 1.221017 
1 1 1  -17    7    5 o   85.464   0.7468  7091.34  123.888  7212.14  176.578  6974.23  173.861   86.181   1.0555   84.747   1.0568 1.433418 1.493661 
1 1 1  -17    7    6 o   87.786   0.7698  7483.75  131.172  7508.15  185.122  7459.14  185.891   87.930   1.0846   87.642   1.0927 0.2878036 1.539543 
1 1 1  -17    7    7 o   69.927   0.6642  4747.24   90.154  4670.35  126.654  4826.23  128.358   69.353   0.9408   70.501   0.9379 -1.147972 1.328431 
1 1 1  -17    7    8 o   83.145   0.7440  6710.69  120.047  6827.94  172.116  6599.60  167.520   83.851   1.0574   82.438   1.0468 1.413559 1.487946 
1 1 1  -17    7    9 o   59.978   0.6247  3491.51   72.723  3419.79  101.642  3566.74  104.094   59.347   0.8823   60.609   0.8848 -1.261581 1.249491 
1 1 1  -17    7   10 o   24.296   0.7796  572.987   36.577  497.203   50.762  654.818   52.749   22.626   1.1558   25.967   1.0465 -3.341303 1.559140 
1 1 1  -17    7   11 o   45.088   0.5786  1972.18   50.612  2062.38   72.712  1887.40   70.493   46.088   0.8127   44.089   0.8237 1.998722 1.157144 
1 1 1  -17    7   12 o   42.073   0.8111  1711.60   65.660  1776.58  100.514  1663.23   86.721   42.764   1.2108   41.381   1.0796 1.383003 1.622213 
1 1 1  -17    7   13 o   27.173   1.0067  721.002   52.540  691.869   79.419  743.675   70.064   26.679   1.5335   27.666   1.3046 -0.9864063 2.013366 
1 1 1  -17    7   14 o   26.272   1.0297  675.891   51.597  642.198   79.734  700.166   67.679   25.701   1.5982   26.844   1.2988 -1.142523 2.059381 
1 1 1  -17    7   15 o   74.144   0.9457  5333.92  135.806  5463.22  199.783  5222.86  185.167   74.975   1.3727   73.312   1.3011 1.662918 1.891364 
1 1 1  -17    7   16 o   67.429   0.9362  4408.60  122.271  4566.87  180.085  4273.25  166.542   68.547   1.3534   66.311   1.2938 2.236137 1.872347 
1 1 1  -17    7   17 o   67.961   0.9325  4487.78  122.855  4527.21  178.737  4452.47  169.146   68.241   1.3493   67.680   1.2875 0.5607681 1.864977 
1 1 1  -17    7   18 o   48.353   0.8638  2271.58   80.454  2278.91  121.650  2265.87  107.262   48.418   1.2943   48.288   1.1443 0.1305847 1.727619 
1 1 1  -17    7   19 o   34.655   0.9974  1159.48   66.103  1217.80  103.822  1119.72   85.724   35.376   1.5119   33.933   1.3014 1.443214 1.994841 
1 1 1  -17    7   20 o   59.992   0.9426  3489.50  109.108  3595.68  164.633  3406.34  145.699   60.797   1.3950   59.186   1.2681 1.610748 1.885254 
1 1 1  -17    7   21 o   59.668   0.9316  3465.12  107.471  3447.03  159.020  3480.33  145.812   59.518   1.3764   59.818   1.2557 -0.2995758 1.863128 
1 1 1  -17    7   22 o   32.881   1.0220  1103.58   58.080  939.776  106.420  1173.07   69.313   31.031   1.7667   34.732   1.0281 -3.701860 2.044071 
1 1 1  -17    7   23 o   41.415   0.9164  1710.98   67.640  1567.84  120.220  1777.28   81.819   40.085   1.5450   42.745   0.9860 -2.660461 1.832847 
1 1 1  -17    7   24 o   19.569   1.6345  429.204   52.218  266.539   88.440  516.262   64.700   16.144   2.9301   22.995   1.4495 -6.851315 3.269001 
1 1 1  -17    7   25 o   13.273   2.2017  192.132   55.044  135.653   95.932  219.853   67.209   11.633   3.7417   14.913   2.3216 -3.279738 4.403450 
1 1 1  -17    7   26 o   37.958   0.9063  1416.81   63.500  1384.49  107.351  1434.20   78.756   37.577   1.4717   38.340   1.0582 -0.7621765 1.812635 
1 1 1  -17    7   27 o   26.914   1.0388  717.607   53.847  639.023   77.950  789.335   74.472   25.467   1.5768   28.360   1.3528 -2.893007 2.077553 
1 1 1  -17    7   28 o   13.148   2.4351  198.941   62.196  226.770   74.975  137.528  111.378   14.711   2.7259   11.584   4.0358 3.126365 4.870150 
1 1 1  -17    7   29 o   8.6273   2.4955   45.245   57.802   45.514   65.478   44.294  123.030   7.7878   3.0240   9.4668   3.9705 -1.678991 4.990978 
1 1 1  -17    7   30 o   17.031   2.9815  359.411  101.310  240.733  155.807  446.341  133.349   14.072   4.7782   19.990   3.5674 -5.918053 5.962991 
1 1 1  -17    7   31 o   33.128   1.7591  1146.03  113.091  1175.79  160.019  1116.33  159.851   33.589   2.4542   32.667   2.5208 0.9219971 3.518225 
1 1 1  -17    8    1 o  123.254   0.9422 14756.22  225.099 14753.57  309.967 14759.18  327.426  123.245   1.2956  123.263   1.3684 -0.1813507E-01 1.884459 
1 1 1  -17    8    2 o   66.608   0.6483  4307.21   83.822  4243.22  117.918  4372.59  119.178   66.107   0.9189   67.108   0.9149 -1.000328 1.296664 
1 1 1  -17    8    3 o   44.891   0.5989  1954.66   52.141  2079.37   74.908  1837.44   72.621   46.279   0.8338   43.503   0.8600 2.775787 1.197836 
1 1 1  -17    8    4 o  154.012   1.1371 23049.25  339.947 23229.72  479.708 22867.19  481.816  154.619   1.5983  153.405   1.6180 1.213394 2.274279 
1 1 1  -17    8    5 o  115.189   0.9345 12889.49  208.924 12973.03  293.566 12803.76  297.398  115.568   1.3086  114.810   1.3344 0.7581482 1.868977 
1 1 1  -17    8    6 o   33.363   0.6567  1080.76   42.522  1079.14   59.442  1082.45   60.852   33.338   0.9185   33.389   0.9389 -0.5087280E-01 1.313465 
1 1 1  -17    8    7 o   98.332   0.8374  9391.26  159.836  9348.98  226.385  9433.30  225.700   98.111   1.1887   98.553   1.1798 -0.4419556 1.674754 
1 1 1  -17    8    8 o  127.395   1.0022 15767.57  247.847 15775.14  351.155 15760.07  349.865  127.425   1.4196  127.365   1.4151 0.6048584E-01 2.004468 
1 1 1  -17    8    9 o   35.943   0.6153  1254.93   42.909  1217.59   60.901  1291.73   60.467   35.412   0.8860   36.475   0.8540 -1.062733 1.230542 
1 1 1  -17    8   10 o   72.958   0.6773  5168.80   95.916  5181.67  135.296  5155.79  135.999   73.049   0.9541   72.866   0.9615 0.1828766 1.354550 
1 1 1  -17    8   11 o   9.3082   1.7007   85.918   33.533  135.445   47.394   36.273   47.451   11.609   2.1833   7.0077   2.6083 4.601034 3.401499 
1 1 1  -17    8   12 o   26.688   0.9237  703.557   44.475  660.213   77.859  724.551   54.185   26.062   1.5390   27.314   1.0220 -1.251373 1.847387 
1 1 1  -17    8   13 o   90.991   1.0748  8038.62  189.640  8229.77  275.832  7867.26  261.152   92.014   1.5443   89.968   1.4953 2.045166 2.149614 
1 1 1  -17    8   14 o   74.535   0.9533  5397.85  137.790  5413.94  199.459  5383.16  190.573   74.639   1.3766   74.430   1.3190 0.2086716 1.906544 
1 1 1  -17    8   15 o   32.130   0.9479  1000.74   57.545  1014.19   93.006  992.393   73.248   32.300   1.4834   31.960   1.1807 0.3397350 1.895859 
1 1 1  -17    8   16 o  116.140   1.2911 13117.76  290.977 13410.90  418.556 12843.57  404.795  117.393   1.8367  114.886   1.8151 2.506363 2.582286 
1 1 1  -17    8   17 o   52.842   0.8632  2713.85   87.786  2713.35  133.134  2714.24  116.766   52.833   1.2981   52.851   1.1382 -0.1802063E-01 1.726433 
1 1 1  -17    8   18 f   27.345   1.1285  726.596   57.439  730.614   96.110  724.364   71.640   27.395   1.8073   27.296   1.3521 0.9916878E-01 2.257099 
1 1 1  -17    8   19 o   18.733   1.6859  358.488   57.839  287.951   93.468  402.260   73.630   17.148   2.8079   20.318   1.8669 -3.170071 3.371898 
1 1 1  -17    8   20 o   37.297   1.0158  1358.43   72.047  1328.23  113.303  1378.94   93.350   36.938   1.5801   37.656   1.2771 -0.7177734 2.031687 
1 1 1  -17    8   21 f   66.426   0.9738  4300.61  125.342  4142.07  180.513  4448.23  174.178   65.236   1.4255   67.616   1.3270 -2.380531 1.947549 
1 1 1  -17    8   22 o   65.375   0.8813  4197.26  104.185  4056.32  183.005  4264.84  126.726   64.521   1.4612   66.229   0.9857 -1.708160 1.762566 
1 1 1  -17    8   23 o   18.106   1.8505  350.312   54.348  281.694  102.245  377.335   64.163   16.558   3.2969   19.654   1.6818 -3.096245 3.701098 
1 1 1  -17    8   24 o   36.275   0.9119  1281.80   60.450  1287.75  105.075  1278.86   73.905   36.309   1.4908   36.241   1.0505 0.6735992E-01 1.823771 
1 1 1  -17    8   25 o   38.884   0.9263  1485.90   64.649  1450.87  115.380  1501.94   78.053   38.503   1.5437   39.266   1.0240 -0.7628670 1.852506 
1 1 1  -17    8   26 o   50.810   0.8603  2560.35   79.721  2413.20  136.762  2636.09   98.114   49.623   1.4198   51.997   0.9721 -2.374073 1.720657 
1 1 1  -17    8   27 o   12.372   2.1255  162.413   50.570  174.622   72.646  150.935   70.438   12.831   2.9746   11.913   3.0368 0.9175825 4.250919 
1 1 1  -17    8   28 o   27.264   1.4354  736.099   67.782  728.552   79.501  756.188  129.708   27.182   1.5067   27.345   2.4435 -0.1633472 2.870720 
1 1 1  -17    8   29 o   27.164   1.4687  735.315   66.595  728.088   76.617  757.646  134.676   27.142   1.4542   27.185   2.5521 -0.4290962E-01 2.937312 
1 1 1  -17    8   30 o   11.944   2.9922  142.871   98.927  -0.9979  148.415  257.895  132.706   9.2338   4.1098   14.654   4.3501 -5.420097 5.984418 
1 1 1  -17    9    1 f   58.234   0.6201  3291.97   70.071  3268.49   97.640  3316.90  100.618   58.021   0.8669   58.448   0.8868 -0.4276047 1.240168 
1 1 1  -17    9    2 o   95.058   0.8030  8769.87  147.991  8667.74  203.842  8883.69  215.200   94.475   1.1115   95.642   1.1591 -1.167290 1.605929 
1 1 1  -17    9    3 o  108.927   0.8939 11521.72  188.981 11402.62  264.169 11646.56  270.462  108.351   1.2560  109.503   1.2724 -1.151840 1.787857 
1 1 1  -17    9    4 o   40.618   0.6113  1603.08   48.158  1655.74   67.592  1548.80   68.630   41.296   0.8432   39.940   0.8852 1.356445 1.222518 
1 1 1  -17    9    5 o   79.637   0.7203  6156.70  111.335  6041.18  155.908  6276.91  159.041   78.875   1.0183   80.399   1.0190 -1.524086 1.440593 
1 1 1  -17    9    6 o   25.809   0.7818  646.318   39.141  680.702   56.216  613.966   54.530   26.475   1.0938   25.144   1.1172 1.331587 1.563545 
1 1 1  -17    9    7 o   54.133   0.5916  2844.61   62.155  2790.23   87.252  2900.65   88.563   53.608   0.8385   54.658   0.8347 -1.050522 1.183107 
1 1 1  -17    9    8 o   77.644   0.6988  5853.16  105.309  5803.26  147.446  5905.13  150.459   77.306   0.9825   77.982   0.9939 -0.6751480 1.397608 
1 1 1  -17    9    9 o   75.599   0.6994  5548.65  102.631  5455.77  143.944  5644.70  146.370   74.956   0.9893   76.243   0.9890 -1.286797 1.398847 
1 1 1  -17    9   10 o   68.659   0.6610  4575.96   88.080  4467.42  123.312  4689.03  125.854   67.828   0.9366   69.490   0.9330 -1.662086 1.321974 
1 1 1  -17    9   11 o   83.505   0.7426  6772.40  120.371  6760.71  169.914  6784.17  170.549   83.433   1.0491   83.577   1.0512 -0.1445618 1.485175 
1 1 1  -17    9   12 o   73.052   0.8188  5201.39  110.505  5126.76  187.028  5241.42  136.969   72.639   1.3264   73.466   0.9604 -0.8266220 1.637608 
1 1 1  -17    9   13 o   61.408   0.8583  3661.67  102.000  3686.02  150.441  3640.94  138.764   61.595   1.2582   61.221   1.1676 0.3735695 1.716539 
1 1 1  -17    9   14 o   57.525   0.8493  3212.70   94.249  3234.68  141.626  3195.22  126.270   57.699   1.2645   57.352   1.1342 0.3469620 1.698624 
1 1 1  -17    9   15 f  106.923   1.2233 11119.32  253.857 11172.60  363.188 11068.43  354.969  107.172   1.7458  106.675   1.7142 0.4965591 2.446668 
1 1 1  -17    9   16 o   48.990   0.8456  2319.93   79.323  2404.00  123.687  2261.19  103.383   49.736   1.2811   48.244   1.1039 1.491863 1.691135 
1 1 1  -17    9   17 o   56.350   0.8857  3095.83   96.406  2978.96  142.018  3195.72  131.290   55.356   1.3216   57.344   1.1795 -1.987988 1.771398 
1 1 1  -17    9   18 o   37.956   0.9214  1398.87   65.930  1407.50  106.989  1393.58   83.714   38.043   1.4488   37.869   1.1388 0.1740341 1.842782 
1 1 1  -17    9   19 f   48.656   0.8936  2291.97   83.253  2361.13  129.651  2243.44  108.602   49.271   1.3556   48.041   1.1646 1.230694 1.787105 
1 1 1  -17    9   20 f   10.979   2.4789  114.232   57.976  124.495   96.295  108.396   72.612   11.450   3.7537   10.507   3.2389 0.9426146 4.957868 
1 1 1  -17    9   21 o   46.759   16.038  3051.98  1755.56   0.0000   0.0000  3051.98  1755.56  ?   ?    46.759   16.038      ?      ? 
1 1 1  -17    9   22 o  100.755   1.1364  9933.68  209.039  9805.55  362.389  9997.58  255.906  100.181   1.8635  101.328   1.3010 -1.146996 2.272702 
1 1 1  -17    9   23 f   82.971   0.9993  6661.80  149.529  6850.85  268.084  6576.42  180.156   83.750   1.6490   82.193   1.1291 1.557053 1.998546 
1 1 1  -17    9   24 o   23.330   1.2791  535.146   53.974  528.514   95.223  538.286   65.514   23.182   2.1160   23.478   1.4375 -0.2961159 2.558117 
1 1 1  -17    9   25 o   52.680   0.8430  2714.53   80.692  2686.42  141.279  2728.14   98.304   52.429   1.3882   52.930   0.9568 -0.5010223 1.685933 
1 1 1  -17    9   26 o   21.379   1.4169  432.546   54.175  504.101  101.205  403.807   64.138   22.494   2.3178   20.265   1.6305 2.228960 2.833849 
1 1 1  -17    9   27 o   24.461   1.0986  591.328   51.957  644.549   73.005  536.702   73.962   25.599   1.4692   23.323   1.6337 2.276066 2.197131 
1 1 1  -17    9   28 o   11.375   2.5185   75.300   64.973  -2.6440   76.424  278.502  123.397   6.9894   3.0343   15.760   4.0206 -8.770614 5.037057 
1 1 1  -17    9   29 o   10.589   2.5958  119.956   67.461  153.906   79.161   29.894  128.934   11.838   3.3138   9.3395   3.9965 2.498237 5.191649 
1 1 1  -17    9   30 o   19.575   2.7706  441.895  103.224  612.285  149.438  286.412  142.752   23.838   3.2294   15.312   4.5029 8.526643 5.541202 
1 1 1  -17   10    1 f  122.956   0.9619 14674.00  229.184 14491.99  313.971 14881.59  335.309  122.143   1.3242  123.768   1.3956 -1.625343 1.923877 
1 1 1  -17   10    2 o   67.615   0.7859  4372.90   96.926  4250.29  117.540  4633.44  171.343   66.162   0.9152   69.067   1.2780 -2.905228 1.571890 
1 1 1  -17   10    3 o   37.742   0.6282  1384.81   45.930  1413.70   63.364  1352.82   66.670   38.158   0.8554   37.327   0.9201 0.8317184 1.256352 
1 1 1  -17   10    4 o  133.113   1.0359 17214.77  267.680 17244.18  379.537 17185.66  377.585  133.226   1.4676  133.000   1.4625 0.2258148 2.071877 
1 1 1  -17   10    5 o   83.626   0.7372  6783.61  119.593  6993.46  172.998  6591.54  165.509   84.863   1.0502   82.389   1.0349 2.474030 1.474392 
1 1 1  -17   10    6 o  199.416   1.3500 38674.32  522.437 39171.44  732.989 38161.03  744.828  200.724   1.8812  198.108   1.9368 2.615753 2.700026 
1 1 1  -17   10    7 o  137.685   1.1009 18386.82  293.296 18011.35  397.350 18836.28  434.733  136.149   1.5035  139.221   1.6086 -3.071838 2.201828 
1 1 1  -17   10    8 o   99.810   0.8404  9675.09  162.815  9740.68  231.439  9610.83  229.089  100.144   1.1905   99.475   1.1864 0.6695328 1.680744 
1 1 1  -17   10    9 o  107.110   0.8784 11140.48  182.611 10974.16  255.319 11314.67  261.286  106.292   1.2374  107.928   1.2471 -1.635780 1.756867 
1 1 1  -17   10   10 o  121.287   0.9696 14292.84  228.275 14290.10  321.436 14295.64  324.240  121.276   1.3654  121.298   1.3770 -0.2241516E-01 1.939209 
1 1 1  -17   10   11 o   99.867   0.8464  9687.73  164.083  9776.06  233.208  9601.15  230.906  100.317   1.1976   99.416   1.1965 0.9013748 1.692870 
1 1 1  -17   10   12 f   24.043   1.0819  576.722   44.003  531.485   85.318  593.117   51.362   23.375   1.8803   24.712   1.0707 -1.336285 2.163765 
1 1 1  -17   10   13 o   63.441   0.8614  3910.49  105.750  3905.15  155.749  3915.06  144.042   63.398   1.2656   63.484   1.1689 -0.8523941E-01 1.722755 
1 1 1  -17   10   14 o   95.528   1.1229  8873.25  208.199  8801.69  295.944  8943.36  292.954   95.145   1.6024   95.910   1.5735 -0.7656708 2.245769 
1 1 1  -17   10   15 o   37.385   0.8417  1356.37   60.413  1368.31   92.748  1347.57   79.620   37.525   1.2733   37.245   1.1013 0.2798653 1.683464 
1 1 1  -17   10   16 o   68.919   0.9458  4622.61  126.292  4509.16  182.965  4725.86  174.541   68.107   1.3839   69.732   1.2894 -1.624451 1.891531 
1 1 1  -17   10   17 o   83.515   1.0738  6783.67  173.706  6792.92  254.199  6775.56  237.923   83.563   1.5671   83.467   1.4684 0.9516144E-01 2.147576 
1 1 1  -17   10   18 o   18.470   1.6471  337.635   54.050  320.969   97.547  345.019   64.929   18.116   2.7738   18.825   1.7768 -0.7084064 3.294120 
1 1 1  -17   10   19 o   26.271   1.2439  686.254   58.947  633.032  102.689  712.410   71.989   25.477   2.0764   27.064   1.3703 -1.586777 2.487760 
1 1 1  -17   10   20 o   22.352   10.906 -2134.0400  1545.26   0.0000   0.0000 -2134.0400  1545.26  ?   ?    22.352   10.906      ?      ? 
1 1 1  -17   10   21 o   48.477   0.8251  2298.52   72.417  2248.93  127.356  2322.22   88.034   48.070   1.3648   48.883   0.9277 -0.8127747 1.650283 
1 1 1  -17   10   22 o   19.399   1.5340  362.935   52.115  381.981   98.826  355.599   61.336   19.709   2.5831   19.089   1.6552 0.6195755 3.067937 
1 1 1  -17   10   23 o   24.630   1.3532  639.679   54.308  508.072  106.422  686.019   63.150   22.722   2.4128   26.538   1.2258 -3.816216 2.706334 
1 1 1  -17   10   24 o   31.703   1.0054  955.549   55.705  1041.32  106.898  923.577   65.267   32.614   1.6885   30.792   1.0919 1.822285 2.010801 
1 1 1  -17   10   25 o   23.867   1.2975  558.435   59.411  568.428   91.617  551.183   78.044   24.029   1.9641   23.705   1.6961 0.3248692 2.595080 
1 1 1  -17   10   26 o   21.569   1.4803  480.544   54.318  420.235  102.415  504.149   64.072   20.467   2.5777   22.670   1.4560 -2.202625 2.960507 
1 1 1  -17   10   27 o   8.1756   2.3744   28.009   57.465   53.143   99.504   15.432   70.389   9.1607   3.6740   7.1904   3.0087 1.970346 4.748757 
1 1 1  -17   10   28 o   15.399   2.4703  256.529   68.069  253.634   81.963  262.964  122.196   15.514   2.8257   15.284   4.0527 0.2304459 4.940549 
1 1 1  -17   10   29 o   21.230   1.9692  471.092   72.628  476.290   86.038  458.207  135.470   21.754   2.0374   20.706   3.3704 1.047964 3.938373 
1 1 1  -17   10   30 o   15.843   3.2120  306.609  105.000  370.517  152.939  249.630  144.411   17.419   4.4935   14.268   4.5910 3.150630 6.424033 
1 1 1  -17   11    1 o  154.097   1.1085 23052.53  330.490 22810.24  448.393 23340.70  489.011  153.218   1.5076  154.976   1.6255 -1.757614 2.217003 
1 1 1  -17   11    2 o  145.785   1.0424 20657.45  294.196 20761.23  402.162 20537.98  431.496  146.185   1.4172  145.386   1.5289 0.7993774 2.084736 
1 1 1  -17   11    3 o  168.909   1.1483 27748.04  375.397 28035.85  513.071 27416.45  550.708  169.861   1.5560  167.957   1.6891 1.903870 2.296596 
1 1 1  -17   11    4 o   49.644   0.6902  2407.78   64.663  2458.06   82.770  2329.02  103.588   50.316   0.8474   48.972   1.0897 1.343914 1.380409 
1 1 1  -17   11    5 o   92.066   0.8050  8232.39  143.857  8268.79  202.165  8195.05  204.748   92.272   1.1287   91.859   1.1482 0.4133606 1.610084 
1 1 1  -17   11    6 o   70.047   0.6717  4762.33   91.303  4687.72  127.236  4841.54  131.095   69.481   0.9434   70.612   0.9564 -1.130341 1.343372 
1 1 1  -17   11    7 o  103.956   0.8554 10495.39  172.616 10645.06  245.546 10349.15  242.710  104.689   1.2083  103.224   1.2113 1.465485 1.710886 
1 1 1  -17   11    8 o   96.515   0.8167  9047.11  152.998  9048.76  215.137  9045.42  217.627   96.524   1.1482   96.506   1.1617 0.1856995E-01 1.633369 
1 1 1  -17   11    9 o   96.574   0.8232  9052.57  154.277  8790.63  214.987  9330.67  221.521   95.135   1.1641   98.013   1.1643 -2.878670 1.646459 
1 1 1  -17   11   10 o   68.072   0.6585  4499.09   87.007  4440.51  122.105  4559.50  124.010   67.622   0.9302   68.522   0.9323 -0.8999176 1.317001 
1 1 1  -17   11   11 o   55.440   0.5956  2984.54   64.085  2980.82   91.321  2988.14   89.953   55.406   0.8491   55.474   0.8353 -0.6838226E-01 1.191102 
1 1 1  -17   11   12 o   74.692   0.8471  5442.83  116.137  5347.82  199.053  5491.86  143.000   74.184   1.3823   75.199   0.9796 -1.014641 1.694196 
1 1 1  -17   11   13 o   63.388   0.8873  3897.93  108.605  3960.17  162.719  3847.92  145.844   63.840   1.3130   62.935   1.1938 0.9051628 1.774606 
1 1 1  -17   11   14 o   64.231   0.8942  4020.10  110.804  3898.32  164.798  4120.58  149.691   63.336   1.3404   65.125   1.1841 -1.789513 1.788497 
1 1 1  -17   11   15 o  118.717   1.2788 13704.92  294.618 13373.29  410.715 14056.43  422.855  117.239   1.8047  120.195   1.8123 -2.955879 2.557644 
1 1 1  -17   11   16 o   85.069   1.0846  7036.96  178.570  7049.04  262.994  7026.63  243.235   85.131   1.5915   85.008   1.4740 0.1225433 2.169204 
1 1 1  -17   11   17 o   58.798   0.9067  3373.38  102.052  3281.89  156.902  3440.47  134.354   58.097   1.3913   59.500   1.1632 -1.403217 1.813488 
1 1 1  -17   11   18 o   64.170   0.9492  4017.04  117.581  3867.98  173.819  4142.79  159.652   63.062   1.4199   65.278   1.2599 -2.216381 1.898305 
1 1 1  -17   11   19 o   40.881   0.9528  1659.70   72.663  1491.93  117.191  1764.48   92.615   39.155   1.5419   42.608   1.1198 -3.453060 1.905577 
1 1 1  -17   11   20 o   34.077   1.0325  1129.73   65.221  1131.55  110.007  1128.74   80.990   34.085   1.6626   34.070   1.2246 0.1531601E-01 2.064934 
1 1 1  -17   11   21 o   87.692   1.0145  7501.48  162.206  7445.10  282.427  7529.22  198.144   87.398   1.6647   87.986   1.1601 -0.5878296 2.029082 
1 1 1  -17   11   22 o   26.222   1.2547  692.523   55.780  628.119  107.202  716.433   65.318   25.317   2.1814   27.126   1.2405 -1.809462 2.509389 
1 1 1  -17   11   23 o   50.470   0.8559  2485.14   76.174  2472.01  140.941  2490.55   90.536   50.338   1.4424   50.603   0.9217 -0.2649269 1.711703 
1 1 1  -17   11   24 o   24.085   1.3148  570.580   52.565  566.068  106.688  572.027   60.405   23.955   2.2943   24.215   1.2851 -0.2595425 2.629685 
1 1 1  -17   11   25 o   7.0262   2.1377   2.9897   49.763 -27.8988   92.163   15.701   59.123   7.2910   3.2422   6.7614   2.7869 0.5296421 4.275371 
1 1 1  -17   11   26 o   6.3495   2.0547 -47.1003   51.539 -16.8973   94.345 -59.9473   61.532   7.5303   3.3177   5.1687   2.4248 2.361568 4.109308 
1 1 1  -17   11   27 o   6.7953   2.1539 -37.5280   54.912   12.921   97.228 -61.1566   66.540   8.1827   3.4852   5.4078   2.5320 2.774834 4.307829 
1 1 1  -17   11   28 o   12.250   2.5609  135.476   65.812   71.164   80.379  266.284  114.634   9.0519   3.3897   15.448   3.8395 -6.395741 5.121717 
1 1 1  -17   11   29 o   21.125   1.8987  442.022   72.754  409.059   87.172  517.693  132.077   20.080   2.2364   22.170   3.0690 -2.089846 3.797371 
1 1 1  -17   11   30 f   8.3130   2.5634   18.668   71.484   31.397   82.890 -18.2762  141.212   7.8769   3.2778   8.7490   3.9422 -0.8721595 5.126852 
1 1 1  -17   12    1 o   94.886   0.7992  8733.62  146.961  8575.24  201.305  8914.34  215.042   93.967   1.1036   95.804   1.1563 -1.837158 1.598430 
1 1 1  -17   12    2 o  203.659   1.2905 40361.18  507.411 40707.25  684.485 39939.00  756.009  204.647   1.7230  202.671   1.9216 1.975815 2.580983 
1 1 1  -17   12    3 o  107.925   0.8800 11309.59  184.055 11242.95  252.721 11384.86  268.590  107.589   1.2101  108.262   1.2781 -0.6724625 1.760021 
1 1 1  -17   12    4 o  107.057   0.8885 11132.27  184.541 11119.50  256.808 11145.91  265.363  106.995   1.2365  107.120   1.2762 -0.1244049 1.776913 
1 1 1  -17   12    5 o   50.887   0.5925  2513.12   58.496  2546.50   84.314  2482.13   81.225   51.213   0.8481   50.562   0.8276 0.6510010 1.184980 
1 1 1  -17   12    6 f   47.135   0.5838  2156.38   53.403  2092.85   74.839  2222.30   76.227   46.428   0.8304   47.842   0.8208 -1.414516 1.167587 
1 1 1  -17   12    7 o   79.158   0.7264  6082.99  111.593  6175.55  159.725  5994.73  155.973   79.746   1.0318   78.570   1.0227 1.175789 1.452744 
1 1 1  -17   12    8 o  174.404   1.2878 29559.84  434.929 29407.70  593.992 29735.68  638.591  173.930   1.7593  174.878   1.8811 -0.9477386 2.575625 
1 1 1  -17   12    9 o   53.146   0.5970  2742.49   61.590  2750.64   86.928  2734.27   87.276   53.225   0.8414   53.066   0.8473 0.1587448 1.194037 
1 1 1  -17   12   10 o   49.848   0.5840  2412.96   56.505  2449.64   79.766  2376.01   80.055   50.228   0.8181   49.467   0.8337 0.7610283 1.168048 
1 1 1  -17   12   11 o   39.099   0.6023  1483.43   45.694  1523.11   65.685  1446.22   63.608   39.605   0.8544   38.593   0.8491 1.012512 1.204524 
1 1 1  -17   12   12 o   76.047   0.8549  5668.46  120.320  5449.04  201.525  5789.99  149.986   74.882   1.3864   77.212   1.0007 -2.329483 1.709810 
1 1 1  -17   12   13 o   41.431   0.8635  1658.87   67.179  1702.23  110.625  1633.53   84.556   41.853   1.3616   41.009   1.0622 0.8433952 1.726926 
1 1 1  -17   12   14 o   48.241   0.8160  2281.81   75.559  2090.10  112.712  2438.28  101.828   46.379   1.2519   50.102   1.0470 -3.722755 1.632042 
1 1 1  -17   12   15 o   80.865   1.0245  6352.65  160.142  6403.86  238.108  6310.35  216.396   81.157   1.5114   80.573   1.3835 0.5832520 2.049047 
1 1 1  -17   12   16 o   69.692   0.9647  4715.23  129.661  4778.63  195.413  4665.36  173.307   70.104   1.4360   69.280   1.2887 0.8236694 1.929432 
1 1 1  -17   12   17 o   97.864   1.2191  9321.36  231.420  9314.30  333.582  9327.92  321.317   97.823   1.7567   97.905   1.6907 -0.8171082E-01 2.438122 
1 1 1  -17   12   18 f   50.431   0.9003  2490.79   86.622  2370.05  133.800  2577.90  113.656   49.363   1.3963   51.500   1.1369 -2.137508 1.800639 
1 1 1  -17   12   19 o   20.421   1.5296  405.250   55.673  411.001  101.611  402.784   66.551   20.503   2.5530   20.339   1.6856 0.1642685 3.059301 
1 1 1  -17   12   20 o   47.825   0.8272  2216.02   68.252  2240.86  131.466  2206.86   79.857   47.988   1.4113   47.661   0.8631 0.3273811 1.654312 
1 1 1  -17   12   21 o   65.235   0.8764  4222.36  103.058  3915.19  180.060  4372.01  125.679   63.404   1.4630   67.065   0.9654 -3.661583 1.752786 
1 1 1  -17   12   22 o   32.545   1.0893  1095.54   59.505  906.151  113.109  1168.02   69.970   30.439   1.9143   34.651   1.0402 -4.212427 2.178656 
1 1 1  -17   12   23 o   18.909   1.5444  347.495   50.495  359.616   97.316  343.029   59.070   19.081   2.6273   18.736   1.6241 0.3446007 3.088786 
1 1 1  -17   12   24 o   37.972   0.9812  1480.50   62.714  1259.62  119.661  1564.15   73.637   35.857   1.7191   40.087   0.9463 -4.229916 1.962363 
1 1 1  -17   12   25 o   17.639   1.6265  307.890   50.408  309.522   93.849  307.228   59.761   17.593   2.7480   17.684   1.7409 -0.9115410E-01 3.253043 
1 1 1  -17   12   26 o   29.489   1.0218  860.247   55.752  830.442   93.432  876.727   69.476   29.037   1.6576   29.940   1.1954 -0.9028301 2.043663 
1 1 1  -17   12   27 o   13.018   2.2417  178.515   53.481  186.870   94.296  174.553   64.935   13.129   3.5947   12.908   2.6793 0.2210255 4.483363 
1 1 1  -17   12   28 o   15.457   2.4341  284.830   67.318  323.606   79.639  187.786  125.988   17.900   2.2920   13.015   4.2949 4.884661 4.868168 
1 1 1  -17   12   29 o   26.006   1.5710  655.899   73.682  607.703   87.801  770.669  135.490   24.643   1.8355   27.370   2.5502 -2.727219 3.142026 
1 1 1  -17   12   30 o   10.890   2.7069  121.744   63.319  114.447   72.241  145.929  131.526   10.215   3.2429   11.566   4.3351 -1.351678 5.413880 
1 1 1  -17   13    1 o   81.506   0.7388  6451.58  116.794  6459.96  162.007  6442.50  168.530   81.562   1.0233   81.450   1.0659 0.1120529 1.477571 
1 1 1  -17   13    2 o   25.695   0.7938  639.547   39.542  602.041   54.375  681.640   57.605   24.898   1.1251   26.493   1.1201 -1.594910 1.587592 
1 1 1  -17   13    3 o   64.934   0.6369  4093.56   80.228  4081.76  111.435  4106.26  115.599   64.837   0.8854   65.030   0.9157 -0.1934204 1.273769 
1 1 1  -17   13    4 o  125.020   0.9756 15186.97  236.563 15246.63  328.097 15122.37  341.402  125.278   1.3492  124.761   1.4097 0.5166779 1.951259 
1 1 1  -17   13    5 o  130.596   1.0365 16571.59  262.748 16486.56  372.556 16655.74  370.615  130.262   1.4734  130.930   1.4582 -0.6680756 2.072963 
1 1 1  -17   13    6 o   83.961   0.7501  6845.93  122.253  6800.05  172.837  6891.87  172.945   83.679   1.0640   84.243   1.0576 -0.5633163 1.500208 
1 1 1  -17   13    7 o   29.271   0.8054  847.669   44.141  769.025   70.782  897.717   56.465   28.137   1.2959   30.406   0.9567 -2.268995 1.610796 
1 1 1  -17   13    8 o   40.038   0.6039  1556.70   46.930  1535.83   66.552  1577.34   66.188   39.771   0.8620   40.305   0.8460 -0.5341187 1.207793 
1 1 1  -17   13    9 o  115.530   0.9536 12968.15  213.863 12927.09  301.966 13009.48  302.933  115.346   1.3486  115.713   1.3486 -0.3669815 1.907253 
1 1 1  -17   13   10 o   80.049   0.7315  6223.44  113.660  6221.16  161.185  6225.69  160.297   80.034   1.0375   80.064   1.0314 -0.2947998E-01 1.462923 
1 1 1  -17   13   11 o   37.616   0.6101  1373.84   44.522  1436.33   63.396  1313.02   62.540   38.460   0.8491   36.772   0.8762 1.688580 1.220123 
1 1 1  -17   13   12 o   80.454   0.8999  6268.96  132.734  6349.73  229.800  6228.53  162.601   80.828   1.4646   80.080   1.0460 0.7482452 1.799780 
1 1 1  -17   13   13 o   51.916   0.8317  2605.78   82.463  2687.79  129.641  2550.05  106.870   52.595   1.2698   51.237   1.0745 1.357479 1.663405 
1 1 1  -17   13   14 o  155.256   1.4969 23465.35  451.022 22723.18  632.807 24231.60  642.997  152.757   2.1341  157.754   2.0997 -4.997009 2.993834 
1 1 1  -17   13   15 o   55.369   0.8736  2966.18   91.725  3038.67  147.120  2920.09  117.318   55.913   1.3555   54.824   1.1024 1.088497 1.747152 
1 1 1  -17   13   16 o   72.847   0.9851  5144.65  138.394  5287.81  209.253  5033.34  184.512   73.739   1.4619   71.956   1.3210 1.783379 1.970288 
1 1 1  -17   13   17 o   53.382   0.8987  2765.44   90.883  2790.86  145.693  2749.24  116.280   53.574   1.4009   53.190   1.1262 0.3839340 1.797461 
1 1 1  -17   13   18 o   38.655   0.9633  1476.61   68.938  1372.72  114.265  1536.07   86.442   37.555   1.5674   39.754   1.1202 -2.198582 1.926503 
1 1 1  -17   13   19 o   65.963   0.9752  4218.18  123.639  4331.46  189.669  4134.47  163.040   66.721   1.4644   65.205   1.2881 1.516777 1.950320 
1 1 1  -17   13   20 o   43.912   0.8513  1846.81   64.181  1935.94  125.687  1815.37   74.648   44.599   1.4518   43.225   0.8896 1.373661 1.702674 
1 1 1  -17   13   21 o   32.542   0.9981  1004.67   54.998  1085.98  110.793  978.083   63.355   33.367   1.7105   31.716   1.0290 1.651089 1.996192 
1 1 1  -17   13   22 o   32.556   1.0427  1017.75   58.252  1067.27  114.112  1000.30   67.744   33.049   1.7788   32.062   1.0885 0.9860878 2.085349 
1 1 1  -17   13   23 o   9.7300   2.1974   97.963   49.826  -0.9136   98.800  131.688   57.701   8.1401   3.4912   11.320   2.6693 -3.179787 4.394758 
1 1 1  -17   13   24 o   24.187   1.3491  594.265   54.614  534.775  106.661  615.404   63.580   23.263   2.3620   25.111   1.3043 -1.848068 2.698190 
1 1 1  -17   13   25 o   60.536   0.8710  3555.53   94.492  3642.62  171.173  3517.35  113.324   60.993   1.4457   60.079   0.9717 0.9133263 1.741951 
1 1 1  -17   13   26 o   5.8375   1.9182 -59.7968   50.145 -37.3676   82.514 -72.9311   63.143   6.6280   2.9975   5.0469   2.3943 1.581129 3.836346 
1 1 1  -17   13   27 o   34.488   0.9590  1158.70   61.120  1198.07  104.510  1138.23   75.348   34.871   1.5439   34.105   1.1381 0.7658272 1.918076 
1 1 1  -17   13   28 o   11.481   2.0437  164.712   59.434  247.638   68.402 -90.7995  120.069   15.662   2.2499   7.2994   3.4124 8.362409 4.087384 
1 1 1  -17   13   29 o   19.909   1.9990  399.241   70.295  379.410   82.930  449.860  132.494   19.332   2.2098   20.486   3.3317 -1.153782 3.997954 
1 1 1  -17   13   30 o   10.006   2.6526  102.537   68.198  123.452   78.794   40.076  136.163   10.545   3.3910   9.4671   4.0800 1.077681 5.305226 
1 1 1  -17   14    1 o  132.072   1.0031 16937.57  256.538 16819.72  350.062 17074.27  377.037  131.581   1.3705  132.564   1.4652 -0.9831848 2.006271 
1 1 1  -17   14    2 o   59.150   0.6104  3396.85   70.078  3385.48   98.150  3408.67  100.088   59.049   0.8563   59.251   0.8702 -0.2015419 1.220841 
1 1 1  -17   14    3 o   80.177   0.7210  6243.69  112.180  6295.90  157.106  6189.38  160.232   80.520   1.0051   79.835   1.0339 0.6851807 1.441980 
1 1 1  -17   14    4 o  131.665   1.0004 16840.33  255.170 16810.71  349.716 16874.04  373.154  131.546   1.3695  131.785   1.4587 -0.2393951 2.000836 
1 1 1  -17   14    5 o   62.624   0.6262  3805.75   76.090  3741.68  105.727  3874.60  109.594   62.077   0.8774   63.170   0.8937 -1.092579 1.252420 
1 1 1  -17   14    6 o  100.854   0.8503  9877.68  166.458 10064.43  237.126  9696.24  233.724  101.794   1.2000   99.914   1.2051 1.879631 1.700665 
1 1 1  -17   14    7 o   46.944   0.5849  2136.78   53.257  2207.53   77.316  2072.90   73.466   47.682   0.8353   46.206   0.8191 1.476494 1.169883 
1 1 1  -17   14    8 o  193.486   1.3372 36409.38  502.230 36831.98  710.806 35988.07  709.715  194.609   1.8816  192.363   1.9006 2.246292 2.674459 
1 1 1  -17   14    9 o  110.595   0.9139 11880.12  196.151 11751.08  273.636 12016.51  281.322  109.978   1.2817  111.212   1.3031 -1.233299 1.827844 
1 1 1  -17   14   10 o   82.467   0.7493  6601.44  119.907  6444.36  167.078  6768.27  172.184   81.456   1.0566   83.478   1.0626 -2.021690 1.498517 
1 1 1  -17   14   11 o   89.845   0.7895  7840.58  137.683  7919.19  195.254  7762.83  194.176   90.293   1.1140   89.397   1.1189 0.8961792 1.578923 
1 1 1  -17   14   12 o   61.970   0.7983  3672.73   87.667  3871.47  163.220  3592.15  103.930   63.120   1.3321   60.821   0.8803 2.299900 1.596688 
1 1 1  -17   14   13 o   39.046   0.8197  1487.96   60.408  1451.21   96.953  1511.28   77.232   38.645   1.2924   39.446   1.0086 -0.8006554 1.639405 
1 1 1  -17   14   14 o   63.881   0.9068  3944.22  110.810  4088.54  173.416  3844.63  144.055   64.858   1.3774   62.905   1.1797 1.952549 1.813556 
1 1 1  -17   14   15 o   55.265   0.8742  2980.69   91.763  2905.46  144.694  3031.30  118.683   54.672   1.3634   55.858   1.0946 -1.186337 1.748400 
1 1 1  -17   14   16 o  102.371   1.2468 10198.08  247.577 10277.07  357.910 10125.60  342.831  102.746   1.7945  101.997   1.7315 0.7494354 2.493674 
1 1 1  -17   14   17 o   95.809   1.2144  8946.71  225.390  8712.45  326.776  9159.29  311.287   94.601   1.7795   97.017   1.6529 -2.415703 2.428702 
1 1 1  -17   14   18 o   35.885   1.0140  1289.82   65.926  1145.13  112.652  1365.19   81.303   34.293   1.6923   37.478   1.1176 -3.184395 2.027966 
1 1 1  -17   14   19 o   9.0276   2.1568   79.397   44.821 -18.4716  101.325  103.206   49.976   7.9757   3.4779   10.079   2.5518 -2.103746 4.313592 
1 1 1  -17   14   20 o   64.162   0.8533  3996.74   97.548  4021.23  177.860  3986.20  116.659   64.278   1.4255   64.047   0.9383 0.2302399 1.706565 
1 1 1  -17   14   21 o   22.124   1.3280  509.844   48.523  416.505   94.105  543.646   56.631   20.613   2.3518   23.635   1.2344 -3.021301 2.656066 
1 1 1  -17   14   22 f   14.436   2.0754  199.329   47.972  230.476  104.460  191.004   54.003   14.904   3.6416   13.967   1.9918 0.9370832 4.150731 
1 1 1  -17   14   23 o   35.688   0.9229  1259.07   56.477  1205.31  108.265  1279.17   66.198   35.117   1.5882   36.259   0.9405 -1.142029 1.845797 
1 1 1  -17   14   24 o   39.490   0.9255  1541.68   63.071  1479.35  119.745  1565.61   74.197   38.877   1.5867   40.102   0.9531 -1.224709 1.850983 
1 1 1  -17   14   25 o   8.0376   2.3526   16.625   52.426   59.203  106.595   3.0403   60.212   9.6290   3.8222   6.4462   2.7440 3.182757 4.705211 
1 1 1  -17   14   26 o   15.538   1.8887  223.133   52.179  315.799   98.477  186.961   61.526   17.619   2.8794   13.458   2.4451 4.160151 3.777489 
1 1 1  -17   14   27 o   16.723   1.8413  301.492   53.329  246.219   90.706  330.691   65.927   15.191   3.1780   18.254   1.8605 -3.062821 3.682605 
1 1 1  -17   14   28 o   8.7106   2.3050   65.257   50.875   69.041   85.703   63.198   63.219   9.0887   3.4780   8.3326   3.0259 0.7561455 4.610001 
1 1 1  -17   14   29 o   22.373   1.7475  489.654   69.429  455.206   81.817  578.283  131.236   21.257   1.9828   23.489   2.8782 -2.231808 3.495052 
1 1 1  -17   14   30 o   11.436   2.8306  118.432   73.671   67.447   87.447  243.111  136.747   8.8813   3.4819   13.991   4.4639 -5.109330 5.661265 
1 1 1  -17   15    1 o   38.331   0.6304  1425.12   46.854  1397.35   64.486  1456.17   68.193   37.936   0.8757   38.726   0.9071 -0.7895813 1.260849 
1 1 1  -17   15    2 o   56.126   0.6153  3050.24   66.874  2945.04   90.918  3174.26   98.711   55.074   0.8504   57.177   0.8894 -2.102249 1.230527 
1 1 1  -17   15    3 o   58.530   0.6093  3325.75   69.199  3312.56   96.320  3339.81   99.479   58.410   0.8495   58.649   0.8738 -0.2391434 1.218673 
1 1 1  -17   15    4 f   18.675   0.9675  339.076   34.963  305.133   49.014  374.240   49.888   17.722   1.4248   19.628   1.3094 -1.906031 1.935046 
1 1 1  -17   15    5 f  107.094   0.8722 11146.70  181.170 11321.06  252.313 10961.12  260.300  107.961   1.2039  106.227   1.2623 1.733963 1.744408 
1 1 1  -17   15    6 o  127.413   1.0110 15771.73  250.025 15686.31  350.105 15860.63  357.179  127.062   1.4194  127.764   1.4402 -0.7020798 2.022098 
1 1 1  -17   15    7 o   92.982   0.8071  8394.08  145.626  8265.23  203.017  8530.64  209.008   92.248   1.1337   93.716   1.1489 -1.468529 1.614104 
1 1 1  -17   15    8 o   55.287   0.8137  3041.71   79.691  3155.16   95.902  2788.61  143.246   57.003   0.8667   53.571   1.3775 3.431458 1.627455 
1 1 1  -17   15    9 o   36.003   0.6291  1259.15   43.950  1225.92   62.354  1291.94   61.956   35.531   0.9041   36.476   0.8750 -0.9447403 1.258155 
1 1 1  -17   15   10 o  116.822   0.9753 13265.30  221.101 13462.59  310.251 13061.70  315.175  117.706   1.3578  115.937   1.4004 1.769989 1.950632 
1 1 1  -17   15   11 o   46.396   0.5795  2090.14   52.192  2077.52   73.610  2102.90   74.013   46.255   0.8198   46.537   0.8193 -0.2817001 1.159020 
1 1 1  -17   15   12 o   61.079   0.7956  3622.67   86.946  3627.39  157.192  3620.59  104.364   61.098   1.3254   61.060   0.8805 0.3738785E-01 1.591190 
1 1 1  -17   15   13 o   47.136   0.8272  2162.62   73.089  2142.98  119.845  2174.25   92.226   46.960   1.3147   47.313   1.0042 -0.3535309 1.654325 
1 1 1  -17   15   14 o   77.167   1.0151  5753.28  150.878  6061.79  230.446  5521.81  199.609   78.960   1.5035   75.373   1.3643 3.587486 2.030184 
1 1 1  -17   15   15 o   28.290   1.0652  755.990   52.449  828.584  101.518  729.559   61.257   29.178   1.7923   27.401   1.1517 1.777119 2.130444 
1 1 1  -17   15   16 o   57.461   0.8925  3210.89   97.736  3201.48  153.463  3217.31  126.771   57.382   1.3777   57.540   1.1350 -0.1579971 1.785030 
1 1 1  -17   15   17 o  108.076   1.3646 11379.82  286.137 11387.75  411.311 11372.39  398.319  108.106   1.9600  108.046   1.8991 0.6000519E-01 2.729155 
1 1 1  -17   15   18 o   68.413   0.9855  4541.56  129.673  4631.42  198.100  4474.20  171.528   68.994   1.4791   67.831   1.3027 1.162674 1.971000 
1 1 1  -17   15   19 o   43.338   0.8722  1876.15   63.390  1727.06  124.490  1928.33   73.653   42.123   1.5225   44.553   0.8516 -2.430286 1.744467 
1 1 1  -17   15   20 o   38.496   0.8976  1488.17   58.731  1344.47  112.410  1542.12   68.880   37.154   1.5586   39.838   0.8907 -2.684067 1.795165 
1 1 1  -17   15   21 o   22.023   1.3651  470.340   48.443  480.831  103.414  467.391   54.831   22.136   2.4067   21.910   1.2892 0.2261200 2.730238 
1 1 1  -17   15   22 o   26.707   1.2573  760.083   52.164  592.348  108.664  810.313   59.464   24.558   2.2795   28.857   1.0616 -4.299046 2.514544 
1 1 1  -17   15   23 o   22.916   1.3407  470.242   50.972  604.008  109.698  433.408   57.564   24.760   2.2823   21.071   1.4073 3.688866 2.681362 
1 1 1  -17   15   24 o   51.453   0.8215  2563.90   75.248  2626.07  137.954  2537.57   89.779   51.847   1.3707   51.059   0.9058 0.7877045 1.642973 
1 1 1  -17   15   25 o   21.136   1.5492  447.482   54.146  435.312  109.676  451.405   62.263   20.820   2.7138   21.453   1.4951 -0.6334858 3.098391 
1 1 1  -17   15   26 o   18.158   1.8424  353.246   53.691  304.732  104.138  370.810   62.661   16.932   3.2869   19.384   1.6653 -2.452433 3.684712 
1 1 1  -17   15   27 o   10.163   2.2431   43.219   52.044  230.882  102.904 -21.2825   60.329   14.513   3.6548   5.8137   2.6015 8.699175 4.486121 
1 1 1  -17   15   28 o   12.631   2.1974  177.988   50.411  144.395   98.810  189.808   58.614   11.553   3.8031   13.709   2.2026 -2.155627 4.394884 
1 1 1  -17   15   29 o   18.486   2.7506  378.643   97.629  516.746  148.358  273.159  129.659   21.783   3.5085   15.189   4.2371 6.594035 5.501175 
1 1 1  -17   15   30 o   28.162   1.5821  845.796   80.496  913.587  100.180  722.281  135.223   30.148   1.7118   26.176   2.6612 3.971792 3.164232 
1 1 1  -17   16    1 o   23.341   0.8797  525.543   39.719  475.690   53.739  585.568   58.967   22.129   1.2510   24.552   1.2372 -2.423325 1.759465 
1 1 1  -17   16    2 o  105.109   0.8568 10729.44  174.615 10697.44  241.069 10764.77  253.270  104.946   1.1833  105.272   1.2394 -0.3260574 1.713585 
1 1 1  -17   16    3 o   14.668   1.3907  220.677   36.046  309.741   51.182  133.025   50.775   17.854   1.4768   11.482   2.3570 6.372211 2.781447 
1 1 1  -17   16    4 o   96.040   0.8099  8960.12  150.958  9048.28  211.880  8869.24  215.130   96.521   1.1308   95.560   1.1597 0.9613266 1.619821 
1 1 1  -17   16    5 o   54.674   0.5900  2902.34   62.571  2901.59   86.795  2903.15   90.285   54.667   0.8179   54.681   0.8506 -0.1387405E-01 1.180034 
1 1 1  -17   16    6 o   24.267   0.7875  572.005   37.096  578.767   52.432  565.228   52.491   24.411   1.1065   24.124   1.1209 0.2874355 1.575052 
1 1 1  -17   16    7 o  147.542   1.1299 21160.08  323.558 21604.55  458.776 20720.21  456.393  149.085   1.5853  145.999   1.6104 3.086578 2.259721 
1 1 1  -17   16    8 o  103.848   0.8708 10476.90  175.535 10478.02  246.632 10475.74  249.889  103.854   1.2234  103.842   1.2397 0.1259613E-01 1.741678 
1 1 1  -17   16    9 o   84.665   0.7630  6962.11  125.404  6999.14  177.755  6925.42  176.943   84.889   1.0787   84.440   1.0795 0.4483032 1.526080 
1 1 1  -17   16   10 o   55.724   0.5980  3014.61   64.676  2959.86   90.791  3071.01   92.155   55.210   0.8471   56.238   0.8442 -1.027122 1.195938 
1 1 1  -17   16   11 o   25.258   1.0785  628.931   42.613  605.281   93.406  635.147   47.886   24.942   1.9292   25.573   0.9646 -0.6310329 2.156907 
1 1 1  -17   16   12 o   69.101   0.8324  4590.98  102.650  4760.55  188.033  4518.99  122.518   69.988   1.3840   68.214   0.9252 1.774117 1.664813 
1 1 1  -17   16   13 o   43.203   0.8545  1809.92   67.610  1824.51  117.152  1802.63   82.788   43.326   1.3930   43.080   0.9900 0.2455673 1.708909 
1 1 1  -17   16   14 f   64.203   0.9126  3988.24  112.149  4110.50  174.937  3902.93  146.127   65.028   1.3858   63.378   1.1878 1.650555 1.825190 
1 1 1  -17   16   15 f   52.459   0.8773  2703.74   87.023  2539.31  137.481  2813.66  112.409   51.105   1.3858   53.814   1.0761 -2.708424 1.754566 
1 1 1  -17   16   16 o   36.072   0.9329  1266.90   60.831  1259.52  107.729  1270.35   73.706   35.984   1.5423   36.160   1.0501 -0.1755714 1.865798 
1 1 1  -17   16   17 o   79.974   1.0753  6213.50  166.133  6323.03  248.331  6124.76  223.518   80.602   1.5872   79.346   1.4512 1.255852 2.150579 
1 1 1  -17   16   18 o   31.891   1.0782  961.447   60.084  1054.62  115.557  926.923   70.340   32.903   1.8092   30.879   1.1735 2.023638 2.156457 
1 1 1  -17   16   19 o   79.580   0.9585  6218.31  136.762  6009.98  244.045  6313.68  165.126   78.563   1.6003   80.597   1.0554 -2.034187 1.916969 
1 1 1  -17   16   20 o   35.287   0.8593  1173.22   53.196  1300.16  101.870  1125.62   62.376   36.543   1.4361   34.032   0.9442 2.510929 1.718689 
1 1 1  -17   16   21 o   34.842   0.9733  1173.10   54.977  1200.45  116.479  1165.27   62.361   35.065   1.7112   34.619   0.9280 0.4460983 1.946623 
1 1 1  -17   16   22 o   49.604   0.8538  2335.17   72.645  2528.23  143.513  2268.66   84.233   50.909   1.4522   48.300   0.8984 2.608784 1.707658 
1 1 1  -17   16   23 o   52.154   0.8852  2682.71   78.070  2590.51  153.251  2715.02   90.724   51.480   1.5336   52.827   0.8847 -1.347015 1.770456 
1 1 1  -17   16   24 o   59.763   0.8675  3554.66   92.541  3305.80  164.660  3669.56  111.883   58.136   1.4591   61.390   0.9389 -3.253262 1.735032 
1 1 1  -17   16   25 o   9.7872   2.0354  106.490   49.457 -49.3748   98.112  159.589   57.265   7.1377   3.2440   12.437   2.4592 -5.298970 4.070778 
1 1 1  -17   16   26 o   36.354   0.9546  1238.41   60.124  1429.21  118.433  1172.16   69.785   38.072   1.6025   34.636   1.0379 3.435322 1.909295 
1 1 1  -17   16   27 o   8.0757   2.1838   42.870   53.597 -86.5353  102.975   90.953   62.770   6.7260   3.1494   9.4254   3.0261 -2.699478 4.367604 
1 1 1  -17   16   28 o   21.452   1.5576  510.435   54.991  371.023  102.239  567.184   65.230   18.932   2.7820   23.972   1.4018 -5.040409 3.115236 
1 1 1  -17   16   29 o   21.948   1.7735  463.566   71.791  395.379   86.656  612.766  128.184   19.672   2.2693   24.223   2.7261 -4.551134 3.546962 
1 1 1  -17   16   30 o   10.550   2.6967  120.248   76.260  169.017   93.502   23.354  131.795   12.057   3.6679   9.0426   3.9541 3.014531 5.393385 
1 1 1  -17   17    1 o   90.095   0.7927  7887.57  138.559  8012.73  193.745  7756.54  198.236   90.829   1.0989   89.362   1.1428 1.466316 1.585385 
1 1 1  -17   17    2 o   37.762   0.6294  1382.17   46.030  1349.94   62.707  1419.83   67.780   37.286   0.8664   38.238   0.9131 -0.9521599 1.258741 
1 1 1  -17   17    3 o   45.843   0.6067  2039.18   53.918  2014.15   74.187  2067.20   78.499   45.545   0.8391   46.140   0.8764 -0.5951500 1.213360 
1 1 1  -17   17    4 o   85.617   0.7610  7103.32  126.177  6902.73  171.632  7339.23  186.130   84.306   1.0488   86.928   1.1030 -2.621849 1.522037 
1 1 1  -17   17    5 o   34.075   0.6415  1127.82   42.416  1146.50   59.575  1108.63   60.404   34.361   0.8932   33.789   0.9209 0.5727997 1.282921 
1 1 1  -17   17    6 o  115.016   0.9217 12847.30  205.464 12759.52  282.462 12945.95  299.420  114.602   1.2697  115.430   1.3363 -0.8282547 1.843307 
1 1 1  -17   17    7 o   42.618   0.5858  1763.24   48.457  1798.01   69.035  1729.48   68.034   43.032   0.8264   42.204   0.8304 0.8280716 1.171601 
1 1 1  -17   17    8 o   61.230   0.6223  3638.28   73.933  3714.02  106.528  3567.90  102.693   61.844   0.8874   60.616   0.8727 1.228386 1.244621 
1 1 1  -17   17    9 o   40.290   0.5670  1576.38   44.334  1567.08   63.383  1585.28   62.034   40.173   0.8128   40.407   0.7909 -0.2330513 1.134062 
1 1 1  -17   17   10 o   97.074   0.8323  9153.16  156.812  9230.71  223.714  9078.25  219.868   97.478   1.1823   96.670   1.1717 0.8076248 1.664508 
1 1 1  -17   17   11 o   55.118   0.7824  2960.67   76.302  2927.67  140.243  2974.55   90.940   54.890   1.3162   55.346   0.8464 -0.4563560 1.564883 
1 1 1  -17   17   12 o   67.649   0.8369  4427.13  100.746  4493.56  184.540  4398.92  120.246   67.995   1.3981   67.302   0.9204 0.6936417 1.673887 
1 1 1  -17   17   13 o   21.088   1.4155  470.157   45.413  373.500   97.957  496.618   51.253   19.568   2.5788   22.609   1.1678 -3.040455 2.830943 
1 1 1  -17   17   14 o   25.181   1.1674  601.552   48.477  645.876  101.435  588.432   55.187   25.753   2.0291   24.609   1.1552 1.144083 2.334884 
1 1 1  -17   17   15 o   25.475   1.1436  642.286   49.695  608.576   95.823  654.688   58.122   24.995   1.9749   25.956   1.1536 -0.9606190 2.287163 
1 1 1  -17   17   16 o   74.306   1.0104  5375.36  145.184  5297.25  214.094  5441.86  197.545   73.799   1.4945   74.813   1.3603 -1.013977 2.020824 
1 1 1  -17   17   17 o   76.303   1.0386  5669.58  153.168  5609.77  226.777  5719.75  207.701   75.923   1.5387   76.682   1.3953 -0.7588501 2.077169 
1 1 1  -17   17   18 o   17.838   1.5416  264.267   42.438  391.873  104.005  238.778   46.483   20.011   2.6774   15.664   1.5287 4.347469 3.083105 
1 1 1  -17   17   19 o   69.864   0.8997  4819.45  111.081  4571.70  202.318  4926.37  132.904   68.528   1.5209   71.201   0.9616 -2.672974 1.799394 
1 1 1  -17   17   20 o   28.503   1.0551  765.842   48.735  838.207  104.988  745.967   55.022   29.306   1.8455   27.699   1.0233 1.606287 2.110240 
1 1 1  -17   17   21 f   21.902   1.4833  473.185   48.866  464.558  113.140  475.163   54.179   21.715   2.6841   22.089   1.2635 -0.3745670 2.966642 
1 1 1  -17   17   22 o   38.989   0.9007  1551.86   60.135  1328.55  111.979  1642.37   71.286   36.883   1.5640   41.094   0.8936 -4.210674 1.801313 
1 1 1  -17   17   23 o   40.969   0.9395  1676.85   62.822  1566.16  128.735  1711.45   71.973   39.998   1.6580   41.941   0.8840 -1.942303 1.878976 
1 1 1  -17   17   24 o   18.465   1.7672  352.581   50.793  325.798  105.270  360.708   57.991   17.742   3.1731   19.189   1.5569 -1.446852 3.534463 
1 1 1  -17   17   25 o   47.084   0.8568  2193.43   71.394  2105.03  130.002  2231.60   85.430   46.322   1.4458   47.846   0.9198 -1.524082 1.713548 
1 1 1  -17   17   26 o   19.733   1.4632  367.765   50.896  437.494   97.861  341.911   59.590   20.854   2.4174   18.612   1.6494 2.242622 2.926480 
1 1 1  -17   17   27 o   35.642   0.9779  1229.98   62.107  1301.68  114.433  1200.04   73.945   36.272   1.6252   35.011   1.0880 1.260979 1.955800 
1 1 1  -17   17   28 o   15.740   1.8876  246.200   51.147  291.670   97.188  228.783   60.150   16.406   3.1665   15.074   2.0556 1.331758 3.775180 
1 1 1  -17   17   29 o   19.470   1.8822  378.398   67.862  341.323   82.748  454.555  118.597   18.233   2.3380   20.708   2.9503 -2.475271 3.764370 
1 1 1  -17   18    1 o   81.142   0.7346  6397.57  115.602  6475.45  160.743  6314.14  166.375   81.655   1.0141   80.629   1.0630 1.025909 1.469139 
1 1 1  -17   18    2 o   33.764   0.6770  1113.99   43.557  1145.62   56.888  1069.19   67.714   34.349   0.8532   33.179   1.0513 1.169201 1.353982 
1 1 1  -17   18    3 o  117.215   0.9471 13341.66  215.315 13176.99  297.500 13522.80  312.022  116.458   1.3160  117.971   1.3625 -1.513908 1.894279 
1 1 1  -17   18    4 o  103.064   0.8567 10317.30  171.316 10272.36  238.429 10365.28  246.318  102.833   1.1944  103.295   1.2284 -0.4615097 1.713396 
1 1 1  -17   18    5 o   15.106   1.1710  223.529   33.937  262.734   48.012  184.380   47.977   16.442   1.5043   13.770   1.7950 2.672135 2.341961 
1 1 1  -17   18    6 f   20.719   1.3622  397.171   44.937  382.922   50.275  453.780  100.210   19.852   1.3046   21.585   2.3916 -1.732601 2.724302 
1 1 1  -17   18    7 o   59.903   0.6202  3485.20   72.107  3531.55  101.324  3437.63  102.637   60.307   0.8655   59.499   0.8887 0.8080330 1.240499 
1 1 1  -17   18    8 o   78.607   0.7218  5990.18  109.947  5827.70  150.300  6177.21  161.255   77.463   0.9995   79.751   1.0416 -2.287003 1.443628 
1 1 1  -17   18    9 o  117.910   0.9600 13509.49  219.716 13590.85  311.219 13428.66  310.235  118.264   1.3556  117.556   1.3595 0.7081909 1.919902 
1 1 1  -17   18   10 o   24.648   0.7266  591.137   34.689  570.184   50.191  610.298   47.997   24.229   1.0672   25.068   0.9864 -0.8391361 1.453174 
1 1 1  -17   18   11 o   67.505   0.8184  4398.48   99.217  4501.98  179.129  4352.66  119.166   68.063   1.3558   66.948   0.9170 1.115425 1.636755 
1 1 1  -17   18   12 o   32.934   0.9204  1090.47   45.875  996.279  103.648  1113.41   51.158   32.006   1.6683   33.862   0.7783 -1.855911 1.840863 
1 1 1  -17   18   13 o   65.076   0.9277  4111.58  115.576  4141.06  179.199  4090.57  151.235   65.268   1.4144   64.883   1.2008 0.3851089 1.855343 
1 1 1  -17   18   14 o   50.805   0.8521  2486.12   80.514  2585.38  136.058  2432.63   99.879   51.570   1.3591   50.040   1.0282 1.529537 1.704252 
1 1 1  -17   18   15 o   50.633   0.8506  2471.26   80.607  2567.68  134.203  2416.84  100.819   51.391   1.3453   49.875   1.0413 1.515427 1.701218 
1 1 1  -17   18   16 o   29.792   1.0222  842.996   51.812  905.462  103.494  822.104   59.852   30.497   1.7482   29.087   1.0600 1.409498 2.044485 
1 1 1  -17   18   17 o   88.918   1.1602  7704.28  199.923  7556.61  289.627  7838.68  276.310   88.095   1.6937   89.741   1.5861 -1.646767 2.320407 
1 1 1  -17   18   18 o   84.815   0.9911  6968.82  149.575  7072.82  273.916  6924.63  178.545   85.225   1.6557   84.406   1.0897 0.8190918 1.982134 
1 1 1  -17   18   19 o   39.648   0.8839  1536.26   56.297  1516.09  119.753  1541.98   63.785   39.457   1.5635   39.840   0.8248 -0.3835144 1.767721 
1 1 1  -17   18   20 o   26.284   1.0895  721.848   46.541  583.640   92.151  769.174   53.924   24.441   1.9423   28.127   0.9876 -3.686172 2.178997 
1 1 1  -17   18   21 o   23.081   1.3997  494.635   46.739  562.769  117.863  481.921   50.914   23.913   2.5391   22.249   1.1788 1.663481 2.799422 
1 1 1  -17   18   22 o   55.112   0.8149  2964.08   79.687  2944.71  145.865  2972.32   95.139   54.944   1.3676   55.281   0.8866 -0.3368111 1.629854 
1 1 1  -17   18   23 o   29.211   1.1205  848.146   50.907  812.592  112.143  857.374   57.133   28.747   2.0096   29.674   0.9918 -0.9266262 2.241026 
1 1 1  -17   18   24 o   46.246   0.8847  2099.65   69.540  2067.44  136.083  2111.03   80.900   45.933   1.5262   46.560   0.8951 -0.6272926 1.769336 
1 1 1  -17   18   25 o   25.687   1.1560  661.146   50.974  624.594   97.033  675.078   59.905   25.100   1.9915   26.275   1.1745 -1.175293 2.312052 
1 1 1  -17   18   26 o   8.1735   2.2169   51.470   49.405  -3.8432   92.367   73.637   58.473   7.6569   3.3300   8.6901   2.9273 -1.033249 4.433704 
1 1 1  -17   18   27 o   9.5335   2.3163   88.393   49.658   96.711   86.402   84.290   60.681   9.9617   3.5473   9.1054   2.9795 0.8562336 4.632596 
1 1 1  -17   18   28 o   4.9183   1.6920 -99.2465   47.249 -125.6700   84.458 -87.2096   57.004   5.3907   2.6117   4.4459   2.1519 0.9448390 3.384041 
1 1 1  -17   18   29 o   15.491   2.3272  270.090   64.719  280.186   78.469  248.612  114.452   16.453   2.4569   14.528   3.9530 1.924324 4.654321 
1 1 1  -17   19    1 o  154.360   1.1175 23154.83  333.974 23073.41  455.661 23249.33  490.931  154.075   1.5235  154.645   1.6354 -0.5696564 2.235077 
1 1 1  -17   19    2 o   11.895   2.2384  135.409   48.597  160.721   92.144  125.656   57.199   12.658   3.5865   11.133   2.6792 1.525077 4.476746 
1 1 1  -17   19    3 o   96.624   0.8201  9059.05  153.579  8903.20  210.528  9236.33  224.535   95.738   1.1328   97.509   1.1862 -1.770996 1.640254 
1 1 1  -17   19    4 f   86.413   0.7665  7252.70  128.508  7252.10  178.763  7253.33  184.865   86.410   1.0657   86.415   1.1020 -0.5256653E-02 1.533063 
1 1 1  -17   19    5 o   34.435   0.6250  1150.20   41.748  1119.41   57.723  1183.99   60.454   33.953   0.8758   34.918   0.8919 -0.9654160 1.250001 
1 1 1  -17   19    6 o   81.622   0.7300  6470.34  115.662  6465.53  162.619  6475.26  164.541   81.591   1.0267   81.652   1.0381 -0.6075287E-01 1.460089 
1 1 1  -17   19    7 f   10.782   1.5351  126.610   32.713   37.682   47.991  203.792   44.709   7.0860   2.6260   14.479   1.5907 -7.392950 3.070184 
1 1 1  -17   19    8 o  120.997   0.9597 14226.10  225.122 14226.21  310.630 14225.98  326.720  121.001   1.3225  120.993   1.3911 0.8026123E-02 1.919390 
1 1 1  -17   19    9 o   18.171   0.9110  319.070   32.031  343.019   47.682  299.374   43.241   18.789   1.3073   17.553   1.2690 1.235435 1.821961 
1 1 1  -17   19   10 f   56.977   0.6804  3163.21   73.366  3200.44   94.133  3105.60  117.099   57.409   0.8447   56.544   1.0668 0.8650856 1.360745 
1 1 1  -17   19   11 o   34.244   0.8850  1098.52   53.126  1234.54  102.169  1048.12   62.195   35.637   1.4769   32.850   0.9753 2.786423 1.769901 
1 1 1  -17   19   12 o  115.487   1.2515 12953.51  260.253 13033.74  465.600 12917.05  313.862  115.696   2.0731  115.277   1.4026 0.4187927 2.503030 
1 1 1  -17   19   13 o   50.191   0.8533  2404.58   78.480  2577.71  137.792  2321.45   95.481   51.495   1.3785   48.886   1.0062 2.609215 1.706596 
1 1 1  -17   19   14 o   40.848   0.8472  1605.57   62.174  1664.00  112.502  1579.88   74.602   41.368   1.4010   40.329   0.9530 1.039646 1.694355 
1 1 1  -17   19   15 o   87.005   1.1235  7361.50  189.327  7405.73  277.578  7323.02  258.896   87.243   1.6390   86.767   1.5371 0.4756317 2.247037 
1 1 1  -17   19   16 o   78.065   1.0437  5933.53  157.507  5877.60  233.062  5980.55  213.694   77.717   1.5449   78.412   1.4039 -0.6954880 2.087485 
1 1 1  -17   19   17 o   45.497   0.8358  2014.68   60.711  2008.01  130.595  2016.51   68.571   45.429   1.4809   45.566   0.7752 -0.1364555 1.671548 
1 1 1  -17   19   18 o   26.593   1.2201  739.411   44.447  619.061  110.989  762.398   48.506   25.174   2.2712   28.013   0.8920 -2.838751 2.440112 
1 1 1  -17   19   19 o   33.797   0.9492  1132.85   49.904  1076.02  109.811  1147.65   56.024   33.226   1.7026   34.369   0.8397 -1.142696 1.898382 
1 1 1  -17   19   20 o   34.965   0.9202  1195.84   51.977  1180.63  109.697  1200.24   59.023   34.790   1.6243   35.140   0.8653 -0.3507996 1.840426 
1 1 1  -17   19   21 o   7.5024   2.2696   5.9621   44.541   24.329  111.400   2.4671   48.595   9.1545   3.8039   5.8503   2.4767 3.304203 4.539099 
1 1 1  -17   19   22 o   37.348   0.9241  1371.80   55.191  1340.07  117.773  1380.73   62.476   37.017   1.6390   37.678   0.8542 -0.6610680 1.848236 
1 1 1  -17   19   23 o   16.901   1.6685  257.963   46.564  330.869  100.789  238.179   52.503   18.215   2.8504   15.586   1.7353 2.629230 3.337090 
1 1 1  -17   19   24 o   13.741   2.1661  206.629   47.529  167.645  106.160  216.402   53.153   12.662   3.9184   14.820   1.8477 -2.157294 4.332223 
1 1 1  -17   19   25 o   25.847   1.1950  630.813   50.868  713.515  107.658  607.044   57.716   26.787   2.0704   24.907   1.1937 1.879478 2.389904 
1 1 1  -17   19   26 o   21.418   1.4107  470.829   51.618  425.133   97.545  488.601   60.833   20.540   2.4465   22.296   1.4055 -1.756723 2.821493 
1 1 1  -17   19   27 o   27.367   1.0834  737.220   53.284  749.119   95.709  731.876   64.144   27.432   1.7974   27.302   1.2103 0.1301575 2.166882 
1 1 1  -17   19   28 o   12.881   2.1289  165.453   48.972  227.833   90.368  139.517   58.271   14.358   3.3101   11.404   2.6780 2.953897 4.257779 
1 1 1  -17   19   29 o   15.019   2.6535  264.485   76.940  277.583  102.230  247.376  116.846   15.635   3.4599   14.403   4.0240 1.231911 5.306929 
1 1 1  -17   20    1 o  113.284   0.9250 12464.78  203.331 12332.56  282.993 12605.89  292.342  112.664   1.2940  113.903   1.3222 -1.239059 1.850007 
1 1 1  -17   20    2 o  122.520   0.9780 14585.79  232.497 14557.13  324.113 14616.16  333.697  122.398   1.3641  122.642   1.4017 -0.2440109 1.955911 
1 1 1  -17   20    3 o   64.174   0.6541  3999.84   81.373  4011.11  112.306  3987.40  118.069   64.270   0.9002   64.078   0.9492 0.1920319 1.308179 
1 1 1  -17   20    4 o  106.282   0.8875 10973.12  182.959 10946.16  253.455 11002.46  264.377  106.148   1.2301  106.417   1.2798 -0.2685699 1.775098 
1 1 1  -17   20    5 o   58.636   0.6223  3336.14   70.738  3291.23   97.331  3386.43  102.986   58.219   0.8612   59.053   0.8984 -0.8347702 1.244527 
1 1 1  -17   20    6 o  106.882   0.8880 11099.61  184.163 11132.50  256.787 11064.78  264.265  107.047   1.2358  106.717   1.2757 0.3294220 1.776078 
1 1 1  -17   20    7 o   93.008   0.8092  8401.10  146.003  8350.52  202.607  8455.75  210.583   92.718   1.1257   93.298   1.1627 -0.5799332 1.618389 
1 1 1  -17   20    8 o   88.203   0.7897  7546.15  135.104  7827.27  195.948  7291.39  186.532   89.766   1.1245   86.639   1.1091 3.126373 1.579442 
1 1 1  -17   20    9 o   59.558   0.6132  3444.58   70.849  3444.93  102.063  3444.26   98.427   59.561   0.8828   59.556   0.8514 0.4695892E-02 1.226426 
1 1 1  -17   20   10 o   42.524   0.5619  1755.77   46.381  1718.05   65.300  1794.17   65.889   42.063   0.7997   42.985   0.7896 -0.9220734 1.123874 
1 1 1  -17   20   11 o   52.331   0.8006  2660.26   72.338  2660.89  138.820  2660.02   84.755   52.324   1.3667   52.338   0.8342 -0.1383591E-01 1.601225 
1 1 1  -17   20   12 o   37.172   0.8788  1368.67   51.098  1298.96  111.628  1387.15   57.472   36.548   1.5734   37.796   0.7833 -1.247528 1.757631 
1 1 1  -17   20   13 o  102.620   1.2944 10251.53  257.618 10225.92  372.201 10275.09  356.932  102.491   1.8708  102.750   1.7895 -0.2591400 2.588887 
1 1 1  -17   20   14 o   19.602   1.2458  334.283   41.415  458.624   87.232  298.100   47.057   21.694   2.0714   17.509   1.3845 4.184509 2.491511 
1 1 1  -17   20   15 o   90.237   1.1537  7923.58  201.833  7920.13  292.873  7926.69  278.536   90.212   1.6724   90.261   1.5897 -0.4898834E-01 2.307415 
1 1 1  -17   20   16 o   83.534   1.0981  6768.91  177.051  6993.27  266.730  6592.20  236.723   84.757   1.6212   82.311   1.4816 2.446220 2.196180 
1 1 1  -17   20   17 o   44.247   0.8345  1865.22   57.086  1966.59  130.033  1841.02   63.537   44.956   1.4901   43.538   0.7518 1.417767 1.668958 
1 1 1  -17   20   18 o   48.447   0.8461  2287.24   64.891  2273.70  141.128  2290.87   73.073   48.330   1.5043   48.564   0.7751 -0.2342911 1.692266 
1 1 1  -17   20   19 o   45.580   0.8743  1983.20   73.492  2141.89  127.527  1904.30   89.925   46.904   1.4006   44.256   1.0467 2.647797 1.748560 
1 1 1  -17   20   20 o   29.487   1.0947  894.898   46.772  778.223  110.105  920.589   51.666   28.200   2.0113   30.774   0.8649 -2.573721 2.189407 
1 1 1  -17   20   21 o   27.512   1.1618  738.453   47.417  740.871  112.443  737.930   52.294   27.482   2.1078   27.542   0.9781 -0.5989838E-01 2.323667 
1 1 1  -17   20   22 o   54.320   0.8646  2867.78   78.538  2894.24  158.551  2859.18   90.410   54.424   1.5008   54.216   0.8591 0.2085838 1.729240 
1 1 1  -17   20   23 o   33.731   0.9603  1111.62   52.746  1111.45  110.351  1111.68   60.050   33.670   1.6884   33.793   0.9154 -0.1232071 1.920581 
1 1 1  -17   20   24 o   29.530   1.1102  885.625   51.585  805.821  110.251  907.992   58.368   28.545   1.9897   30.515   0.9854 -1.970188 2.220303 
1 1 1  -17   20   25 o   15.671   2.0551  312.514   47.918  162.435  101.659  355.384   54.332   12.332   3.8375   19.011   1.4723 -6.678821 4.110218 
1 1 1  -17   20   26 o   8.6249   2.3493   59.519   50.234   28.632  107.532   68.142   56.814   8.8312   3.7084   8.4186   2.8852 0.4126387 4.698578 
1 1 1  -17   20   27 o   10.120   2.8297  109.268   57.759   0.0000   0.0000  109.268   57.759  ?   ?    10.120   2.8297      ?      ? 
1 1 1  -17   20   28 o   8.4354   2.3859   45.765   52.441   73.219  105.495   36.754   60.437   9.5735   3.8017   7.2974   2.8839 2.276088 4.771810 
1 1 1  -17   20   29 o   19.318   2.2332  409.186   81.562  451.703  116.281  368.011  114.433   20.555   2.9142   18.082   3.3846 2.473600 4.466380 
1 1 1  -17   21    1 f  117.791   0.9621 13472.30  219.502 13338.60  299.904 13626.56  322.131  117.166   1.3186  118.415   1.4014 -1.249580 1.924221 
1 1 1  -17   21    2 o   64.599   0.6630  4053.12   83.127  4143.12  117.490  3962.92  117.630   65.318   0.9266   63.880   0.9486 1.437042 1.326080 
1 1 1  -17   21    3 o   28.866   0.7259  811.205   40.432  828.603   54.618  790.110   60.140   29.210   0.9632   28.521   1.0863 0.6887932 1.451825 
1 1 1  -17   21    4 o   79.713   0.7371  6171.91  114.010  6185.48  159.128  6157.59  163.429   79.804   1.0272   79.623   1.0574 0.1816788 1.474166 
1 1 1  -17   21    5 o   72.578   0.6863  5111.39   96.603  5024.39  133.292  5207.64  140.206   71.928   0.9546   73.227   0.9864 -1.298492 1.372668 
1 1 1  -17   21    6 o   40.940   0.6032  1627.78   47.930  1616.71   68.401  1638.46   67.183   40.803   0.8636   41.077   0.8425 -0.2740288 1.206498 
1 1 1  -17   21    7 o  154.310   1.2740 23043.36  377.109 22431.94  493.713 23899.68  584.280  151.887   1.6745  156.733   1.9204 -4.845596 2.547935 
1 1 1  -17   21    8 o   99.035   0.8759  9531.77  168.336  9309.43  238.776  9751.48  237.357   97.885   1.2566  100.185   1.2205 -2.299980 1.751781 
1 1 1  -17   21    9 f   68.917   0.6711  4612.93   89.780  4644.02  126.719  4581.59  127.218   69.151   0.9440   68.684   0.9542 0.4668961 1.342244 
1 1 1  -17   21   10 o   98.920   0.8852  9507.88  169.973  9465.64  239.866  9550.49  240.892   98.699   1.2520   99.140   1.2517 -0.4413757 1.770370 
1 1 1  -17   21   11 o   29.943   0.9746  869.260   43.908  875.000  102.471  867.969   48.595   29.990   1.7602   29.896   0.8374 0.9364700E-01 1.949213 
1 1 1  -17   21   12 o   44.979   0.8446  1958.55   68.545  1985.83  122.405  1946.08   82.733   45.197   1.3952   44.761   0.9522 0.4357567 1.689108 
1 1 1  -17   21   13 o   70.640   0.9594  4856.72  130.681  4804.30  195.921  4898.73  175.400   70.289   1.4359   70.991   1.2728 -0.7017288 1.918823 
1 1 1  -17   21   14 o   76.387   1.0076  5672.44  148.755  5689.36  221.031  5658.43  201.118   76.484   1.4887   76.289   1.3581 0.1951523 2.015114 
1 1 1  -17   21   15 o   36.825   0.9175  1382.70   58.945  1167.23  106.110  1478.87   70.889   34.633   1.5784   39.016   0.9360 -4.383503 1.835007 
1 1 1  -17   21   16 o   69.726   0.9819  4745.40  131.458  4610.77  199.723  4848.31  174.614   68.838   1.4946   70.613   1.2739 -1.774986 1.963853 
1 1 1  -17   21   17 o   59.233   0.8347  3400.55   82.033  3431.45  167.600  3390.81   94.072   59.384   1.4539   59.082   0.8202 0.3015327 1.669331 
1 1 1  -17   21   18 o   48.364   0.8444  2269.59   64.682  2283.62  141.007  2265.86   72.792   48.432   1.4998   48.297   0.7764 0.1346703 1.688896 
1 1 1  -17   21   19 f   24.793   1.0799  610.316   39.697  581.497   93.024  616.732   43.894   24.396   1.9643   25.190   0.8977 -0.7942028 2.159720 
1 1 1  -17   21   20 o   14.092   1.9860  154.793   39.675  277.588  108.289  135.753   42.640   16.402   3.5074   11.783   1.8642 4.618723 3.972014 
1 1 1  -17   21   21 o   38.806   0.8792  1512.87   54.357  1387.70  114.709  1549.12   61.727   37.694   1.5677   39.918   0.7966 -2.224716 1.758491 
1 1 1  -17   21   22 o   30.205   1.1508  904.271   51.379  875.077  121.218  910.664   56.726   29.823   2.0939   30.587   0.9554 -0.7646294 2.301544 
1 1 1  -17   21   23 o   19.909   1.5206  442.771   45.463  309.447   95.474  481.868   51.702   17.597   2.7951   22.221   1.1986 -4.624535 3.041234 
1 1 1  -17   21   24 o   14.466   1.8504  208.337   44.617  225.644   88.249  202.395   51.713   14.617   3.1990   14.316   1.8609 0.3010149 3.700891 
1 1 1  -17   21   25 o   36.991   0.9311  1344.05   57.737  1339.04  115.612  1345.71   66.642   36.845   1.6164   37.137   0.9244 -0.2921982 1.862121 
1 1 1  -17   21   26 o   37.565   0.9836  1345.36   60.955  1471.33  127.767  1308.23   69.357   38.540   1.7078   36.590   0.9765 1.949497 1.967268 
1 1 1  -17   21   27 o   26.114   1.2963  696.218   55.917  650.438  112.062  711.396   64.524   25.330   2.2791   26.898   1.2358 -1.567785 2.592544 
1 1 1  -17   21   28 o   9.7452   2.3575  102.327   53.635   42.468  105.957  122.950   62.192   8.8661   3.6990   10.624   2.9236 -1.758130 4.714915 
1 1 1  -17   21   29 o   11.614   2.8110  153.806   78.071  110.255  111.057  196.353  109.771   10.398   3.9638   12.830   3.9869 -2.432240 5.622030 
1 1 1  -17   22    1 o   57.626   0.6395  3214.61   71.376  3082.20   97.043  3370.65  105.350   56.338   0.8874   58.914   0.9212 -2.576134 1.279057 
1 1 1  -17   22    2 o   65.621   0.6575  4177.85   83.644  4108.22  115.037  4255.96  121.837   65.042   0.9111   66.200   0.9481 -1.157722 1.314940 
1 1 1  -17   22    3 o  129.195   1.0558 16215.21  264.267 16094.84  362.080 16352.43  386.581  128.687   1.4495  129.702   1.5354 -1.015076 2.111505 
1 1 1  -17   22    4 o  166.603   1.2425 26971.89  400.420 26741.62  542.903 27246.59  592.961  165.837   1.6865  167.369   1.8251 -1.532394 2.484977 
1 1 1  -17   22    5 o   52.960   0.6144  2723.08   63.114  2711.82   87.378  2735.36   91.260   52.846   0.8518   53.074   0.8858 -0.2278404 1.228891 
1 1 1  -17   22    6 o   33.949   0.6386  1124.82   41.810  1178.35   56.823  1061.63   61.739   34.835   0.8403   33.063   0.9620 1.772675 1.277297 
1 1 1  -17   22    7 o   60.882   0.6330  3596.67   74.766  3681.91  107.983  3518.18  103.621   61.574   0.9034   60.190   0.8869 1.384007 1.265976 
1 1 1  -17   22    8 o   46.340   0.5816  2082.02   52.273  2175.93   75.713  1996.47   72.259   47.337   0.8239   45.343   0.8209 1.993961 1.163120 
1 1 1  -17   22    9 o  109.853   0.9752 11722.60  207.873 11515.70  289.312 11943.42  298.876  108.852   1.3692  110.853   1.3889 -2.000885 1.950333 
1 1 1  -17   22   10 o   62.036   0.8517  3739.06   92.458  3738.72  109.240  3739.92  173.601   62.045   0.9070   62.026   1.4418 0.1907349E-01 1.703376 
1 1 1  -17   22   11 o   70.589   0.8782  4850.88  110.065  4820.32  201.308  4863.92  131.453   70.412   1.4728   70.765   0.9569 -0.3526306 1.756392 
1 1 1  -17   22   12 o   67.214   0.9335  4409.24  120.781  4243.67  181.061  4542.00  162.125   66.066   1.4118   68.363   1.2217 -2.297691 1.867033 
1 1 1  -17   22   13 o   40.859   0.7894  1639.91   59.188  1567.19  100.745  1678.24   73.142   40.152   1.2926   41.566   0.9065 -1.414833 1.578745 
1 1 1  -17   22   14 o   29.185   0.9165  853.242   45.006  777.176   87.695  880.440   52.438   28.263   1.5984   30.107   0.8973 -1.844118 1.833049 
1 1 1  -17   22   15 o  160.328   1.7122 25234.69  503.496 24738.58  863.228 25490.49  619.856  158.952   2.7977  161.704   1.9747 -2.752289 3.424389 
1 1 1  -17   22   16 o   63.514   0.8323  3865.95   89.448  4035.16  178.968  3809.60  103.272   64.404   1.4315   62.625   0.8495 1.779301 1.664609 
1 1 1  -17   22   17 f   21.776   1.4402  503.254   37.793  412.261  108.937  515.704   40.295   20.513   2.7358   23.039   0.9010 -2.525877 2.880342 
1 1 1  -17   22   18 o   58.337   0.8451  3330.11   81.999  3270.94  165.800  3349.27   94.344   57.960   1.4736   58.714   0.8278 -0.7536812 1.690210 
1 1 1  -17   22   19 o   37.325   0.8594  1397.94   50.693  1283.69  108.220  1430.05   57.377   36.287   1.5364   38.363   0.7705 -2.076550 1.718732 
1 1 1  -17   22   20 o   21.747   1.4766  471.425   42.078  452.667  114.653  474.344   45.234   21.414   2.7581   22.079   1.0554 -0.6651440 2.953158 
1 1 1  -17   22   21 o   71.132   0.8844  4943.11  111.410  4904.96  204.516  4959.21  132.852   70.874   1.4865   71.391   0.9587 -0.5167236 1.768844 
1 1 1  -17   22   22 o   25.732   1.2827  643.035   45.528  658.970  118.616  640.282   49.304   25.821   2.3665   25.643   0.9905 0.1781158 2.565380 
1 1 1  -17   22   23 o   19.841   1.4496  361.084   43.743  435.031  104.654  345.430   48.151   20.885   2.5814   18.798   1.3196 2.087536 2.899117 
1 1 1  -17   22   24 o   9.3555   2.1013   53.107   43.041  168.448   82.837   10.454   50.374   12.578   3.3375   6.1327   2.5539 6.445465 4.202539 
1 1 1  -17   22   25 o   9.9436   2.2604   93.125   45.099  122.441   87.847   82.633   52.553   10.906   3.5857   8.9807   2.7533 1.925651 4.520836 
1 1 1  -17   22   26 o   18.414   1.7606  367.448   50.437  311.216  101.367  385.950   58.145   17.056   3.1786   19.773   1.5149 -2.717014 3.521127 
1 1 1  -17   22   27 o   9.0435   2.3903   61.210   49.648  112.963  102.093   45.181   56.819   10.607   3.8463   7.4801   2.8391 3.126908 4.780641 
1 1 1  -17   22   28 o   31.153   1.0666  977.319   57.828  934.656  107.870  994.525   68.503   30.502   1.8218   31.804   1.1096 -1.301992 2.133103 
1 1 1  -17   23    1 o   74.832   0.7148  5438.15  103.786  5418.33  144.405  5459.32  149.267   74.692   0.9960   74.972   1.0257 -0.2804794 1.429653 
1 1 1  -17   23    2 o   49.200   0.8191  2318.96   71.019  2429.16  133.272  2275.25   83.929   49.996   1.3732   48.404   0.8932 1.592354 1.638150 
1 1 1  -17   23    3 f   29.535   0.7107  846.033   40.570  835.103   54.718  859.377   60.459   29.324   0.9613   29.745   1.0471 -0.4214344 1.421409 
1 1 1  -17   23    4 o  103.303   0.8787 10371.24  176.115 10474.48  245.904 10262.52  252.348  103.833   1.2200  102.773   1.2649 1.059715 1.757386 
1 1 1  -17   23    5 o   65.254   0.6499  4134.36   82.301  4103.73  114.749  4166.81  118.106   65.006   0.9094   65.503   0.9289 -0.4969711 1.299886 
1 1 1  -17   23    6 o  118.731   1.0259 13701.52  236.229 13715.58  341.415 13688.60  327.196  118.786   1.4806  118.676   1.4203 0.1097946 2.051718 
1 1 1  -17   23    7 o   28.538   0.6942  791.305   38.321  794.575   52.105  787.454   56.555   28.603   0.9384   28.473   1.0232 0.1301098 1.388391 
1 1 1  -17   23    8 o   21.037   0.8152  429.313   33.082  366.640   45.708  498.255   47.940   19.426   1.2122   22.648   1.0905 -3.222086 1.630469 
1 1 1  -17   23    9 o   74.227   0.7106  5350.72  102.374  5437.26  145.865  5266.72  143.716   74.819   1.0043   73.636   1.0054 1.182732 1.421112 
1 1 1  -17   23   10 o   66.361   0.6613  4275.57   85.176  4192.22  119.017  4363.09  121.950   65.699   0.9332   67.024   0.9373 -1.325348 1.322677 
1 1 1  -17   23   11 o   15.185   1.8483  266.852   35.199  181.108   92.256  281.461   38.080   13.351   3.5124   17.020   1.1526 -3.668465 3.696692 
1 1 1  -17   23   12 o   42.074   0.7711  1673.27   58.618  1847.06  106.457  1597.65   70.222   43.592   1.2581   40.557   0.8920 3.034962 1.542181 
1 1 1  -17   23   13 o   27.864   1.0014  773.934   43.940  722.595   94.697  788.021   49.604   27.245   1.7905   28.483   0.8971 -1.238136 2.002708 
1 1 1  -17   23   14 o   20.230   1.3886  407.822   40.146  385.571   98.328  412.274   43.979   19.863   2.5501   20.597   1.1000 -0.7334805 2.777237 
1 1 1  -17   23   15 o   66.577   0.9382  4330.09  120.044  4161.87  181.106  4461.92  160.323   65.408   1.4264   67.746   1.2191 -2.337555 1.876388 
1 1 1  -17   23   16 o   66.730   0.8570  4351.74   98.014  4281.87  189.473  4377.27  114.529   66.335   1.4714   67.125   0.8790 -0.7900238 1.713957 
1 1 1  -17   23   17 o   52.294   0.8234  2663.74   67.857  2650.68  148.522  2667.18   76.285   52.185   1.4661   52.402   0.7499 -0.2168579 1.646813 
1 1 1  -17   23   18 o   52.887   0.8208  2742.19   70.297  2681.36  147.523  2760.05   79.958   52.472   1.4483   53.301   0.7728 -0.8284225 1.641602 
1 1 1  -17   23   19 o   39.501   0.8451  1512.96   51.632  1528.71  116.294  1509.09   57.623   39.594   1.5131   39.408   0.7533 0.1860199 1.690189 
1 1 1  -17   23   20 o   44.923   0.8872  1994.74   60.669  1919.74  137.799  2012.78   67.571   44.339   1.6010   45.507   0.7649 -1.168324 1.774368 
1 1 1  -17   23   21 o   29.055   1.0608  804.357   45.074  856.306  110.439  793.975   49.374   29.542   1.9258   28.568   0.8903 0.9743481 2.121654 
1 1 1  -17   23   22 o   52.204   0.8510  2671.22   73.911  2633.22  149.445  2683.52   85.039   51.890   1.4837   52.519   0.8341 -0.6287079 1.702063 
1 1 1  -17   23   23 o   23.012   1.3317  503.972   43.427  549.646  111.013  495.720   47.187   23.484   2.4352   22.540   1.0785 0.9435635 2.663332 
1 1 1  -17   23   24 o   29.487   1.0680  881.829   49.458  808.568  106.166  902.136   55.894   28.564   1.9147   30.409   0.9469 -1.844769 2.136003 
1 1 1  -17   23   25 o   51.745   0.8029  2675.90   73.098  2484.93  133.216  2758.17   87.437   50.302   1.3643   53.187   0.8469 -2.884907 1.605765 
1 1 1  -17   23   26 o   15.796   1.8304  276.595   47.432  218.783   87.853  300.380   56.350   14.187   3.2586   17.404   1.6680 -3.216419 3.660714 
1 1 1  -17   23   27 o   10.566   2.0640  132.235   47.745   39.345   85.421  174.442   57.580   8.2358   3.3670   12.895   2.3882 -4.659606 4.127963 
1 1 1  -17   23   28 o   10.106   2.2569  110.049   47.774  112.087   83.172  109.045   58.361   10.210   3.4910   10.002   2.8614 0.2080507 4.513813 
1 1 1  -17   24    1 o   65.080   0.6802  4114.36   85.875  4137.65  119.380  4089.39  123.622   65.272   0.9422   64.888   0.9814 0.3835297 1.360498 
1 1 1  -17   24    2 o   11.729   1.6502  136.235   36.778   85.271   49.946  196.601   54.357   9.2449   2.6478   14.213   1.9701 -4.968390 3.300318 
1 1 1  -17   24    3 o   32.728   0.6766  1040.98   42.775  1047.75   57.825  1032.81   63.568   32.846   0.9069   32.609   1.0042 0.2370949 1.353124 
1 1 1  -17   24    4 o  150.057   1.1702 21879.10  340.105 21649.75  464.539 22144.06  499.303  149.219   1.6037  150.896   1.7046 -1.676590 2.340430 
1 1 1  -17   24    5 o   60.321   0.6367  3531.56   74.500  3484.37  103.123  3583.09  107.747   59.900   0.8869   60.741   0.9138 -0.8416023 1.273426 
1 1 1  -17   24    6 o   56.994   0.7230  3136.22   77.095  3225.45  128.171  3085.63   96.505   57.620   1.1459   56.368   0.8820 1.252041 1.446018 
1 1 1  -17   24    7 o   18.989   0.9045  348.847   33.265  325.858   45.263  375.847   49.052   18.312   1.2733   19.667   1.2849 -1.354330 1.808955 
1 1 1  -17   24    8 o   71.006   0.6924  4897.48   95.430  4955.07  134.734  4839.50  135.182   71.426   0.9718   70.587   0.9866 0.8385925 1.384792 
1 1 1  -17   24    9 o   60.027   0.6237  3499.20   72.668  3518.81  103.162  3479.89  102.378   60.193   0.8829   59.860   0.8811 0.3337288 1.247303 
1 1 1  -17   24   10 o   52.381   0.8121  2692.80   73.439  2607.24  139.793  2725.41   86.308   51.788   1.3906   52.975   0.8393 -1.187450 1.624223 
1 1 1  -17   24   11 o   28.249   0.9073  770.607   39.982  784.329   89.224  767.159   44.723   28.393   1.6188   28.106   0.8197 0.2876110 1.814549 
1 1 1  -17   24   12 o   31.290   0.9210  940.704   45.673  971.067  100.112  932.723   51.325   31.591   1.6325   30.989   0.8532 0.6021481 1.842004 
1 1 1  -17   24   13 o   42.330   0.8306  1732.28   61.095  1762.16  116.517  1720.95   71.749   42.568   1.4101   42.093   0.8781 0.4758148 1.661120 
1 1 1  -17   24   14 o  127.068   1.3732 15624.99  315.859 16051.25  562.301 15428.48  381.785  128.230   2.2590  125.906   1.5621 2.324104 2.746475 
1 1 1  -17   24   15 o  102.233   1.1300 10179.52  208.881 10156.06  370.029 10190.49  253.057  102.093   1.8671  102.373   1.2734 -0.2795410 2.260024 
1 1 1  -17   24   16 o   20.823   1.2997  370.907   31.623  491.366  106.319  359.217   33.122   22.417   2.4433   19.229   0.8874 3.188324 2.599407 
1 1 1  -17   24   17 o   53.416   0.8351  2751.96   69.561  2813.39  155.473  2736.59   77.780   53.755   1.4899   53.078   0.7549 0.6772308 1.670272 
1 1 1  -17   24   18 o   11.060   1.9742  134.699   33.584   83.079   91.321  142.772   36.115   10.018   3.6369   12.103   1.5372 -2.085424 3.948429 
1 1 1  -17   24   19 o   47.587   0.8288  2167.52   61.408  2266.55  138.253  2143.19   68.540   48.212   1.4773   46.962   0.7518 1.249435 1.657573 
1 1 1  -17   24   20 o   21.701   1.3646  444.395   38.236  484.799  109.438  438.777   40.808   22.166   2.5434   21.235   0.9900 0.9310741 2.729236 
1 1 1  -17   24   21 o   33.005   1.0164  1065.67   46.954  1061.64  119.478  1066.41   51.062   32.895   1.8711   33.115   0.7944 -0.2199020 2.032727 
1 1 1  -17   24   22 o   75.676   0.9289  5656.41  125.188  5434.29  225.598  5755.24  150.484   74.493   1.5601   76.860   1.0086 -2.367432 1.857751 
1 1 1  -17   24   23 f   14.715   1.8110  146.327   40.487  373.986  105.273  106.811   43.860   19.259   2.8159   10.170   2.2783 9.089501 3.622096 
1 1 1  -17   24   24 o   44.162   0.8909  1964.66   63.058  1815.71  132.045  2008.67   71.770   42.924   1.5847   45.400   0.8144 -2.476124 1.781723 
1 1 1  -17   24   25 f   8.8011   2.1709   77.944   44.113  -9.0116  104.285   96.893   48.682   7.9901   3.5050   9.6120   2.5624 -1.621908 4.341773 
1 1 1  -17   24   26 o   34.225   0.9727  1123.49   54.765  1214.11  114.899  1096.85   62.296   34.959   1.6931   33.491   0.9582 1.468231 1.945496 
1 1 1  -17   24   27 o   27.039   1.1380  679.357   52.663  831.678  106.881  630.519   60.520   28.773   1.9136   25.305   1.2321 3.468180 2.275926 
1 1 1  -17   24   28 o   9.5582   2.4047   74.392   50.806  153.319  101.197   47.793   58.746   11.570   3.8507   7.5466   2.8815 4.023302 4.809436 
1 1 1  -17   25    1 o   88.161   0.7995  7550.93  136.790  7558.86  191.357  7542.63  195.614   88.209   1.1175   88.113   1.1437 0.9662628E-01 1.599021 
1 1 1  -17   25    2 o   9.7065   1.8771   94.214   36.407   84.116   49.853  105.754   53.294   9.1887   2.6493   10.224   2.6599 -1.035590 3.754171 
1 1 1  -17   25    3 o   17.413   1.0662  294.701   35.997  293.481   49.677  296.051   52.234   17.375   1.4728   17.450   1.5420 -0.7462311E-01 2.132402 
1 1 1  -17   25    4 o   78.027   0.7418  5912.53  112.349  6038.15  160.176  5790.89  157.625   78.843   1.0466   77.212   1.0517 1.631477 1.483678 
1 1 1  -17   25    5 o  105.854   0.9459 10886.88  194.337 11057.12  277.683 10723.45  272.070  106.665   1.3411  105.044   1.3343 1.621017 1.891789 
1 1 1  -17   25    6 o   81.055   0.7635  6381.26  120.110  6326.61  168.305  6437.98  171.461   80.702   1.0744   81.408   1.0850 -0.7065506 1.526918 
1 1 1  -17   25    7 o   34.342   0.5908  1145.94   39.349  1162.18   54.740  1128.59   56.602   34.595   0.8151   34.090   0.8553 0.5044975 1.181540 
1 1 1  -17   25    8 o   70.544   0.6865  4833.69   94.003  4854.84  132.823  4812.47  133.059   70.699   0.9678   70.389   0.9738 0.3094559 1.372950 
1 1 1  -17   25    9 o   42.076   0.5665  1717.88   46.245  1679.18   64.124  1759.82   66.756   41.583   0.7944   42.570   0.8078 -0.9863358 1.132997 
1 1 1  -17   25   10 o   65.239   0.8378  4057.82   95.981  4319.53  181.851  3956.76  113.004   66.652   1.4055   63.825   0.9121 2.827522 1.675521 
1 1 1  -17   25   11 o   50.666   0.8532  2465.36   79.334  2584.76  138.191  2406.66   96.891   51.559   1.3807   49.772   1.0028 1.787018 1.706490 
1 1 1  -17   25   12 o   45.800   0.8183  2015.09   67.443  2100.64  121.836  1977.30   80.982   46.482   1.3503   45.118   0.9247 1.364967 1.636520 
1 1 1  -17   25   13 o  104.105   1.3188 10554.49  266.279 10661.51  385.346 10456.68  368.379  104.603   1.8978  103.607   1.8316 0.9958267 2.637503 
1 1 1  -17   25   14 o   64.003   0.8377  4015.94   90.538  3913.47  178.621  4051.36  105.030   63.424   1.4508   64.582   0.8378 -1.158211 1.675342 
1 1 1  -17   25   15 o   62.531   0.8171  3812.62   86.269  3777.55  170.953  3824.60   99.926   62.313   1.4133   62.748   0.8204 -0.4357643 1.634145 
1 1 1  -17   25   16 o   35.538   0.9132  1146.44   39.751  1337.61  123.144  1124.20   42.000   37.053   1.7121   34.024   0.6359 3.028191 1.826388 
1 1 1  -17   25   17 o   24.762   1.1625  510.613   32.687  712.906  114.802  492.767   34.099   27.002   2.1902   22.522   0.7800 4.480150 2.324974 
1 1 1  -17   25   18 o   81.112   0.9594  6408.03  137.173  6410.37  254.360  6407.08  162.889   81.061   1.6165   81.163   1.0339 -0.1015396 1.918830 
1 1 1  -17   25   19 o   39.636   0.9003  1498.68   48.866  1575.85  129.510  1485.87   52.766   40.168   1.6610   39.105   0.6951 1.062683 1.800549 
1 1 1  -17   25   20 o   76.943   0.9263  5753.83  125.217  5819.71  234.087  5727.42  148.202   77.174   1.5626   76.713   0.9952 0.4611588 1.852603 
1 1 1  -17   25   21 o   62.440   0.8763  3815.65   91.137  3778.16  184.155  3827.81  104.881   62.156   1.5263   62.724   0.8614 -0.5681801 1.752584 
1 1 1  -17   25   22 o   28.612   1.0293  819.503   42.576  774.108  102.640  828.937   46.791   28.040   1.8857   29.184   0.8259 -1.143661 2.058633 
1 1 1  -17   25   23 o   9.9294   2.2160   86.296   40.327  130.229   90.679   75.465   45.024   11.265   3.6393   8.5936   2.5293 2.671710 4.431945 
1 1 1  -17   25   24 o   16.229   1.7838  236.285   41.236  324.633  105.257  220.267   44.818   17.504   3.2163   14.954   1.5440 2.550165 3.567695 
1 1 1  -17   25   25 o   15.992   2.0543  306.855   44.342  210.161  107.782  326.556   48.650   13.765   3.8715   18.220   1.3755 -4.455237 4.108616 
1 1 1  -17   25   26 o   8.0901   2.0404   59.313   46.542 -119.2211  108.226   99.823   51.553   6.4903   3.0948   9.6898   2.6599 -3.199483 4.080826 
1 1 1  -17   25   27 f   11.279   2.4466  127.201   50.406  167.506  111.620  116.875   56.495   12.161   4.0440   10.397   2.7550 1.764060 4.893261 
1 1 1  -17   25   28 f   11.819   2.3241  165.632   51.300  123.633  110.156  177.264   57.970   10.737   3.9785   12.900   2.4034 -2.162892 4.648143 
1 1 1  -17   26    1 o   39.885   0.6438  1553.10   49.542  1641.38   67.725  1451.50   72.659   41.112   0.8486   38.658   0.9683 2.454185 1.287514 
1 1 1  -17   26    2 o   44.957   0.6222  1960.16   54.254  1894.56   74.965  2032.30   78.618   44.168   0.8743   45.746   0.8853 -1.577122 1.244306 
1 1 1  -17   26    3 o   90.375   0.8221  7935.56  144.219  7930.03  205.012  7940.98  202.918   90.344   1.1690   90.407   1.1563 -0.6337738E-01 1.644230 
1 1 1  -17   26    4 f  125.510   1.1035 15317.38  268.850 15301.43  379.537 15333.44  380.890  125.445   1.5586  125.575   1.5625 -0.1305466 2.206981 
1 1 1  -17   26    5 o   62.920   0.6646  3841.84   81.126  3758.06  112.362  3933.08  117.253   62.204   0.9305   63.636   0.9492 -1.431175 1.329239 
1 1 1  -17   26    6 o   47.009   0.5914  2145.90   53.966  2160.82   76.706  2131.27   75.938   47.171   0.8377   46.847   0.8350 0.3235703 1.182808 
1 1 1  -17   26    7 o   32.767   0.6267  1043.68   39.818  1096.04   56.164  990.765   56.459   33.594   0.8612   31.939   0.9106 1.655220 1.253388 
1 1 1  -17   26    8 o   53.822   0.6042  2813.06   63.119  2775.63   88.857  2851.18   89.674   53.460   0.8562   54.183   0.8526 -0.7228279 1.208330 
1 1 1  -17   26    9 o   50.984   0.5859  2522.49   57.964  2432.18   80.762  2618.43   83.240   50.043   0.8314   51.924   0.8258 -1.881046 1.171838 
1 1 1  -17   26   10 o   23.016   1.1678  542.842   39.224  474.362   91.699  558.178   43.394   22.060   2.1414   23.971   0.9326 -1.911259 2.335621 
1 1 1  -17   26   11 o   48.195   0.7858  2231.64   64.581  2310.03  127.436  2204.56   74.913   48.745   1.3468   47.644   0.8100 1.100430 1.571591 
1 1 1  -17   26   12 o   53.924   0.8494  2803.71   85.404  2907.40  143.370  2746.68  106.327   54.680   1.3507   53.168   1.0302 1.511890 1.698768 
1 1 1  -17   26   13 f   60.023   0.7956  3499.35   92.699   0.0000   0.0000  3499.35   92.699  ?   ?    60.023   0.7956      ?      ? 
1 1 1  -17   26   14 o   58.134   0.8618  3267.87   94.805  3364.27  153.113  3207.94  120.732   58.815   1.3411   57.452   1.0826 1.362553 1.723502 
1 1 1  -17   26   15 o   11.887   1.9918  148.454   23.718  118.117  101.325  150.213   24.396   11.341   3.8533   12.433   1.0109 -1.091994 3.983642 
1 1 1  -17   26   16 o   17.875   1.6016  283.933   26.861  346.450  112.627  280.163   27.659   18.768   3.0914   16.981   0.8391 1.786592 3.203274 
1 1 1  -17   26   17 f   54.244   0.8210  2853.33   69.326  2877.90  154.774  2847.16   77.540   54.352   1.4670   54.136   0.7379 0.2158775 1.642085 
1 1 1  -17   26   18 o   34.955   0.8486  1156.87   39.811  1235.21  108.506  1144.69   42.795   35.582   1.5709   34.327   0.6422 1.254944 1.697144 
1 1 1  -17   26   19 o   34.358   1.0340  1199.28   42.931  1091.59  126.877  1213.20   45.622   33.380   1.9581   35.336   0.6651 -1.956085 2.067983 
1 1 1  -17   26   20 o   25.679   1.0428  617.694   35.754  681.444   98.731  608.071   38.357   26.351   1.9301   25.007   0.7902 1.344618 2.085614 
1 1 1  -17   26   21 o   24.094   1.2697  546.554   38.380  600.894  113.727  539.570   40.771   24.642   2.3775   23.546   0.8920 1.096384 2.539357 
1 1 1  -17   26   22 o   9.9564   2.2726   85.585   35.794  107.825  109.515   82.925   37.874   10.941   3.9811   8.9721   2.1931 1.968602 4.545194 
1 1 1  -17   26   23 o   32.706   0.9011  1075.94   45.955  999.919  100.060  1096.26   51.735   31.863   1.6177   33.548   0.7944 -1.684866 1.802253 
1 1 1  -17   26   24 o   7.4824   2.1500   28.112   39.864   41.781   92.410   24.987   44.187   8.6643   3.5174   6.3004   2.4735 2.363931 4.300074 
1 1 1  -17   26   25 o   34.131   0.9816  1151.07   51.984  1140.47  115.694  1153.75   58.189   33.883   1.7590   34.379   0.8719 -0.4959259 1.963262 
1 1 1  -17   26   26 o   27.552   1.1597  749.590   49.539  762.569  110.856  746.351   55.376   27.505   2.0762   27.599   1.0336 -0.9357834E-01 2.319308 
1 1 1  -17   26   27 o   25.915   1.2749  697.279   52.931  631.189  109.611  717.378   60.446   24.832   2.2740   26.998   1.1534 -2.165854 2.549747 
1 1 1  -17   27    1 o   80.426   0.7687  6280.84  119.959  6175.86  166.900  6393.04  172.536   79.731   1.0784   81.120   1.0957 -1.388618 1.537332 
1 1 1  -17   27    2 o   98.066   0.8792  9345.57  167.352  9343.61  238.605  9347.47  234.786   98.055   1.2536   98.078   1.2332 -0.2225494E-01 1.758466 
1 1 1  -17   27    3 o   29.080   0.7364  819.569   41.440  915.998   60.078  732.055   57.234   30.708   1.0079   27.451   1.0741 3.257385 1.472883 
1 1 1  -17   27    4 o   69.110   0.9179  4668.35  112.179  4706.67  133.776  4577.58  205.908   69.610   0.9900   68.611   1.5460 0.9992752 1.835844 
1 1 1  -17   27    5 o   67.947   0.6793  4484.46   89.590  4491.11  125.683  4477.59  127.742   67.999   0.9522   67.896   0.9692 0.1033401 1.358678 
1 1 1  -17   27    6 o   66.718   0.6750  4315.92   87.311  4175.89  119.909  4473.94  127.381   65.569   0.9421   67.867   0.9669 -2.298294 1.349964 
1 1 1  -17   27    7 o   22.676   0.7409  498.022   32.497  516.829   48.368  482.545   43.876   23.064   1.0803   22.287   1.0142 0.7768002 1.481759 
1 1 1  -17   27    8 o  118.750   1.0520 13713.88  242.490 13818.02  344.121 13611.16  341.756  119.198   1.4872  118.302   1.4882 0.8957291 2.103944 
1 1 1  -17   27    9 o   29.566   0.5789  847.486   33.195  886.826   48.189  811.963   45.791   30.218   0.8215   28.914   0.8158 1.303446 1.157795 
1 1 1  -17   27   10 o   64.677   0.8432  4062.68   97.704  4072.55  176.282  4058.30  117.383   64.718   1.4032   64.637   0.9355 0.8083344E-01 1.686481 
1 1 1  -17   27   11 o   9.6035   1.9526   91.644   29.800   58.762   88.781   95.819   31.635   9.2844   3.5429   9.9226   1.6424 -0.6381807 3.905111 
1 1 1  -17   27   12 o   37.758   1.4701  1387.07  107.751  1387.07  107.751   0.0000   0.0000   37.758   1.4701  ?   ?       ?      ? 
1 1 1  -17   27   13 o   41.426   1.4110  1669.33  113.463  1669.33  113.463   0.0000   0.0000   41.426   1.4110  ?   ?       ?      ? 
1 1 1  -17   27   14 o   35.234   1.4713  1208.07  100.634  1208.07  100.634   0.0000   0.0000   35.234   1.4713  ?   ?       ?      ? 
1 1 1  -17   27   15 o   53.883   1.4574  2825.83  152.441  2825.83  152.441   0.0000   0.0000   53.883   1.4574  ?   ?       ?      ? 
1 1 1  -17   27   16 o   46.700   1.5426  2124.54  139.843  2124.54  139.843   0.0000   0.0000   46.700   1.5426  ?   ?       ?      ? 
1 1 1  -17   27   17 o   48.701   0.6808  2304.12   64.365   0.0000   0.0000  2304.12   64.365  ?   ?    48.701   0.6808      ?      ? 
1 1 1  -17   27   18 o   36.651   0.8980  1288.61   41.039  1334.60  120.985  1282.62   43.625   36.965   1.6861   36.337   0.6185 0.6277695 1.795936 
1 1 1  -17   27   19 o   81.002   0.9830  6391.93  138.059  6421.48  263.270  6380.72  162.141   81.037   1.6736   80.966   1.0316 0.7141113E-01 1.966011 
1 1 1  -17   27   20 o   21.502   1.3745  461.848   32.945  444.463  107.880  463.637   34.598   21.171   2.6251   21.833   0.8163 -0.6624641 2.749073 
1 1 1  -17   27   21 o   22.169   1.2909  473.339   34.392  495.380  105.716  470.730   36.370   22.345   2.4373   21.993   0.8519 0.3518715 2.581875 
1 1 1  -17   27   22 o   35.433   1.0118  1189.30   46.379  1287.66  132.182  1175.49   49.528   36.110   1.8857   34.755   0.7341 1.354809 2.023584 
1 1 1  -17   27   23 o   18.839   1.7283  399.525   38.627  311.352  105.537  413.164   41.507   17.114   3.2964   20.565   1.0398 -3.451197 3.456532 
1 1 1  -17   27   24 o   37.708   0.8399  1372.29   52.499  1432.86  108.166  1353.62   60.046   38.156   1.4604   37.261   0.8302 0.8951187 1.679854 
1 1 1  -17   27   25 o   9.7353   2.1689   94.915   40.013   98.097   88.804   94.104   44.821   10.022   3.5934   9.4490   2.4299 0.5726995 4.337843 
1 1 1  -17   27   26 o   26.398   1.0987  678.829   46.656  714.771  100.239  668.889   52.714   26.675   1.9358   26.121   1.0396 0.5546284 2.197325 
1 1 1  -17   27   27 o   8.8401   2.0650   84.611   46.279 -18.3351   90.311  121.271   53.893   7.1033   3.1804   10.577   2.6347 -3.473741 4.129950 
1 1 1  -17   28    1 f   75.489   0.7306  5530.62  107.013  5733.63  154.199  5342.01  148.632   76.824   1.0340   74.154   1.0326 2.669952 1.461281 
1 1 1  -17   28    2 o   63.425   0.6755  3897.37   83.054  3715.13  113.853  4104.67  121.426   61.845   0.9484   65.005   0.9623 -3.160725 1.351059 
1 1 1  -17   28    3 o  119.624   1.0605 13910.29  246.224 14202.60  352.400 13631.47  344.173  120.851   1.5022  118.397   1.4975 2.454102 2.121095 
1 1 1  -17   28    4 o   38.445   0.9148  1436.93   57.256  1437.18   65.160  1436.06  119.934   38.468   0.8726   38.423   1.6080 0.4481888E-01 1.829507 
1 1 1  -17   28    5 o   68.678   0.6904  4579.76   91.973  4531.00  127.420  4632.80  132.892   68.297   0.9611   69.059   0.9913 -0.7611618 1.380739 
1 1 1  -17   28    6 o   71.759   0.7065  5002.18   98.409  5033.33  139.663  4971.46  138.685   71.980   0.9995   71.537   0.9987 0.4437180 1.412971 
1 1 1  -17   28    7 o   27.239   0.6776  720.613   35.822  701.249   50.319  740.511   51.007   26.868   0.9648   27.610   0.9517 -0.7422123 1.355205 
1 1 1  -17   28    8 o   75.176   0.7200  5488.71  105.049  5398.95  146.835  5582.81  150.353   74.547   1.0147   75.805   1.0218 -1.258194 1.439999 
1 1 1  -17   28    9 o  102.621   1.1515 10182.82  214.579 10425.56  379.479 10068.72  260.165  103.471   1.8893  101.771   1.3169 1.700249 2.303002 
1 1 1  -17   28   10 o   43.172   0.8093  1865.66   57.982  1706.50  115.462  1919.33   67.050   41.889   1.4199   44.456   0.7770 -2.566433 1.618615 
1 1 1  -17   28   11 o   56.760   1.0231  3140.30  112.496  3264.57  156.274  3006.64  162.071   57.933   1.3896   55.587   1.5020 2.345795 2.046206 
1 1 1  -17   28   12 o   54.721   1.3975  2912.62  148.445  2912.62  148.445   0.0000   0.0000   54.721   1.3975  ?   ?       ?      ? 
1 1 1  -17   28   13 o   9.3163   3.5944   56.352   92.051   56.352   92.051   0.0000   0.0000   9.3163   3.5944  ?   ?       ?      ? 
1 1 1  -17   28   14 o   35.094   1.4799  1198.72  100.819  1198.72  100.819   0.0000   0.0000   35.094   1.4799  ?   ?       ?      ? 
1 1 1  -17   28   15 o   54.751   1.4757  2918.58  156.836  2918.58  156.836   0.0000   0.0000   54.751   1.4757  ?   ?       ?      ? 
1 1 1  -17   28   16 o   74.939   1.5761  5474.22  229.269  5474.22  229.269   0.0000   0.0000   74.939   1.5761  ?   ?       ?      ? 
1 1 1  -17   28   17 o   54.820   1.4248  2929.20  151.615  2929.20  151.615   0.0000   0.0000   54.820   1.4248  ?   ?       ?      ? 
1 1 1  -17   28   18 o   53.851   0.8439  2746.31   68.154  2948.57  162.186  2702.94   75.108   54.965   1.5201   52.737   0.7337 2.227425 1.687858 
1 1 1  -17   28   19 o   12.317   1.9987  190.104   25.706   87.539  105.041  196.638   26.513   10.420   3.8803   14.215   0.9608 -3.794799 3.997494 
1 1 1  -17   28   20 f   15.850   1.9140  241.012   29.197  270.628  112.724  238.882   30.229   16.037   3.6967   15.662   0.9943 0.3749228 3.828062 
1 1 1  -17   28   21 o   27.149   1.0778  663.883   36.212  801.609  111.497  647.642   38.287   28.497   2.0156   25.800   0.7645 2.697332 2.155672 
1 1 1  -17   28   22 o   21.913   1.4025  454.880   35.690  502.587  115.223  449.817   37.536   22.344   2.6565   21.482   0.9001 0.8617134 2.804906 
1 1 1  -17   28   23 o   24.884   1.3076  654.361   40.435  560.791  113.232  668.037   43.289   23.591   2.4726   26.176   0.8520 -2.584484 2.615234 
1 1 1  -17   28   24 o   34.196   1.0168  1208.96   51.861  1061.08  117.642  1244.64   57.779   32.669   1.8551   35.722   0.8332 -3.053406 2.033611 
1 1 1  -17   28   25 o   11.051   2.1793  118.313   40.424  154.816   94.371  110.109   44.736   11.868   3.6981   10.235   2.3068 1.632162 4.358599 
1 1 1  -17   28   26 o   15.634   1.8609  286.310   42.148  208.921   91.557  307.120   47.477   13.646   3.4534   17.623   1.3879 -3.976859 3.721878 
1 1 1  -17   28   27 o   21.198   1.3833  458.063   47.480  451.523   98.938  460.020   54.119   20.839   2.4458   21.557   1.2933 -0.7179337 2.766689 
1 1 1  -17   29    1 o   49.051   0.6430  2337.61   61.104  2345.97   83.858  2328.14   89.217   49.146   0.8790   48.956   0.9388 0.1895866 1.286086 
1 1 1  -17   29    2 o   89.878   0.8340  7850.43  145.509  7906.98  206.414  7794.57  205.153   90.200   1.1789   89.557   1.1801 0.6435852 1.668039 
1 1 1  -17   29    3 o   61.023   0.6679  3612.16   79.051  3823.58  114.038  3416.60  109.679   62.740   0.9364   59.306   0.9527 3.433773 1.335829 
1 1 1  -17   29    4 o   42.458   0.8631  1795.23   64.141  1651.05  117.748  1856.06   76.485   41.203   1.4722   43.713   0.9014 -2.510601 1.726204 
1 1 1  -17   29    5 o   58.397   0.6454  3308.42   73.118  3193.67  101.272  3433.37  105.679   57.340   0.9098   59.453   0.9157 -2.112541 1.290853 
1 1 1  -17   29    6 o   71.111   0.7076  4912.09   97.669  5005.76  138.871  4820.41  137.391   71.782   0.9966   70.440   1.0048 1.342026 1.415223 
1 1 1  -17   29    7 o   48.101   0.5907  2244.08   55.121  2148.44   76.402  2347.91   79.604   47.033   0.8368   49.168   0.8340 -2.135017 1.181478 
1 1 1  -17   29    8 o   47.217   0.5718  2163.18   52.362  2120.36   72.257  2210.52   75.985   46.726   0.7966   47.708   0.8205 -0.9822121 1.143591 
1 1 1  -17   29    9 o   77.909   0.7419  5885.47  112.023  5689.18  153.314  6110.30  164.081   76.520   1.0321   79.299   1.0659 -2.778671 1.483755 
1 1 1  -17   29   10 o   42.590   0.8316  1769.59   56.028  1752.43  121.862  1774.19   63.092   42.440   1.4792   42.741   0.7604 -0.3010101 1.663225 
1 1 1  -17   29   11 o   84.112   1.1837  6889.42  193.210  7111.27  273.629  6668.83  272.853   85.467   1.6493   82.758   1.6985 2.709007 2.367484 
1 1 1  -17   29   12 o   43.423   1.4469  1834.45  121.960  1834.45  121.960   0.0000   0.0000   43.423   1.4469  ?   ?       ?      ? 
1 1 1  -17   29   13 o   31.572   1.7017  970.922  104.293  970.922  104.293   0.0000   0.0000   31.572   1.7017  ?   ?       ?      ? 
1 1 1  -17   29   14 o   24.565   1.9696  588.760   93.921  588.760   93.921   0.0000   0.0000   24.565   1.9696  ?   ?       ?      ? 
1 1 1  -17   29   15 o   54.377   1.5127  2880.40  159.675  2880.40  159.675   0.0000   0.0000   54.377   1.5127  ?   ?       ?      ? 
1 1 1  -17   29   16 f   40.392   1.6553  1592.02  129.787  1592.02  129.787   0.0000   0.0000   40.392   1.6553  ?   ?       ?      ? 
1 1 1  -17   29   17 o   24.055   2.4053  568.873  112.319  568.873  112.319   0.0000   0.0000   24.055   2.4053  ?   ?       ?      ? 
1 1 1  -17   29   18 o   39.238   1.7650  1506.59  134.437  1506.59  134.437   0.0000   0.0000   39.238   1.7650  ?   ?       ?      ? 
1 1 1  -17   29   19 o   58.608   1.4445  3355.51  164.339  3355.51  164.339   0.0000   0.0000   58.608   1.4445  ?   ?       ?      ? 
1 1 1  -17   29   20 o   21.312   1.3188  359.350   26.626  557.617  116.399  348.403   27.351   23.697   2.5304   18.927   0.7444 4.769888 2.637607 
1 1 1  -17   29   21 o   26.148   1.1398  641.858   33.478  709.349  112.504  635.302   35.066   26.742   2.1672   25.554   0.7069 1.188028 2.279576 
1 1 1  -17   29   22 o   40.286   0.8260  1532.18   49.150  1674.64  119.638  1503.25   53.910   41.274   1.4932   39.299   0.7067 1.975868 1.651995 
1 1 1  -17   29   23 o   19.625   1.8915  508.243   39.872  265.191  109.163  545.660   42.831   15.603   3.6662   23.646   0.9331 -8.042509 3.783096 
1 1 1  -17   29   24 o   33.746   1.0109  1127.20   48.717  1115.06  120.429  1129.57   53.270   33.461   1.8541   34.031   0.8064 -0.5694008 2.021823 
1 1 1  -17   29   25 o   9.9316   2.1553  111.495   41.094   46.583  104.862  123.272   44.666   8.9989   3.7107   10.864   2.1935 -1.865293 4.310523 
1 1 1  -17   29   26 o   16.542   1.6898  236.725   43.605  364.781  105.335  210.243   47.902   18.583   2.9201   14.502   1.7016 4.081100 3.379685 
1 1 1  -17   29   27 o   11.802   2.3480  158.501   48.638  141.709  114.976  162.162   53.678   11.248   4.0813   12.357   2.3230 -1.109284 4.696078 
1 1 1  -17   30    1 o   64.641   0.6895  4054.75   86.476  4211.83  124.702  3909.25  120.022   65.846   0.9756   63.436   0.9747 2.409199 1.379064 
1 1 1  -17   30    2 o  106.548   0.9600 11037.48  198.540 11068.49  280.056 11006.15  281.507  106.699   1.3521  106.397   1.3630 0.3023529 1.919905 
1 1 1  -17   30    3 o   43.520   0.6238  1838.62   52.622  1822.77   72.310  1856.46   76.723   43.321   0.8599   43.718   0.9041 -0.3970337 1.247684 
1 1 1  -17   30    4 o   54.145   0.6304  2847.55   66.258  2804.13   93.508  2891.34   93.898   53.730   0.8965   54.560   0.8866 -0.8295479 1.260870 
1 1 1  -17   30    5 o   42.826   0.6249  1781.47   51.943  1819.88   73.597  1743.35   73.322   43.286   0.8759   42.366   0.8916 0.9204330 1.249825 
1 1 1  -17   30    6 o  113.803   1.0137 12588.10  223.864 12350.84  312.020 12839.80  321.369  112.699   1.4263  114.906   1.4408 -2.206940 2.027320 
1 1 1  -17   30    7 f   59.996   0.6305  3496.77   73.427  3537.86  103.488  3455.12  104.200   60.352   0.8834   59.641   0.9000 0.7107048 1.261098 
1 1 1  -17   30    8 o   60.033   0.6313  3499.76   73.488  3477.67  101.443  3524.16  106.603   59.835   0.8734   60.231   0.9118 -0.3964310 1.262581 
1 1 1  -17   30    9 o   79.293   0.9557  6121.79  137.092  6095.86  242.515  6133.97  166.193   79.139   1.5786   79.446   1.0776 -0.3062439 1.911390 
1 1 1  -17   30   10 o   60.345   1.0585  3543.66  123.805  3550.31  170.547  3536.25  180.008   60.409   1.4544   60.281   1.5383 0.1282082 2.116990 
1 1 1  -17   30   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   30   12 o   72.992   1.5219  5185.69  215.638  5185.69  215.638   0.0000   0.0000   72.992   1.5219  ?   ?       ?      ? 
1 1 1  -17   30   13 o   94.277   1.7785  8662.69  325.487  8662.69  325.487   0.0000   0.0000   94.277   1.7785  ?   ?       ?      ? 
1 1 1  -17   30   14 o   62.623   1.4747  3818.69  179.262  3818.69  179.262   0.0000   0.0000   62.623   1.4747  ?   ?       ?      ? 
1 1 1  -17   30   15 o   93.732   1.8006  8577.47  327.625  8577.47  327.625   0.0000   0.0000   93.732   1.8006  ?   ?       ?      ? 
1 1 1  -17   30   16 o   11.701   3.9701  128.738  107.564  128.738  107.564   0.0000   0.0000   11.701   3.9701  ?   ?       ?      ? 
1 1 1  -17   30   17 o   54.069   1.4244  2851.40  149.501  2851.40  149.501   0.0000   0.0000   54.069   1.4244  ?   ?       ?      ? 
1 1 1  -17   30   18 o   40.435   1.7916  1601.59  140.625  1601.59  140.625   0.0000   0.0000   40.435   1.7916  ?   ?       ?      ? 
1 1 1  -17   30   19 o   31.811   1.7684  992.266  109.201  992.266  109.201   0.0000   0.0000   31.811   1.7684  ?   ?       ?      ? 
1 1 1  -17   30   20 o   21.114   2.7726  446.031  113.639  446.031  113.639   0.0000   0.0000   21.114   2.7726  ?   ?       ?      ? 
1 1 1  -17   30   21 o   14.384   2.0303  184.790   24.301  247.582  117.182  181.968   24.841   15.107   3.9510   13.662   0.9367 1.444590 4.060543 
1 1 1  -17   30   22 o   11.261   1.9596  124.108   29.477  134.389   91.140  122.907   31.151   11.341   3.6470   11.182   1.4351 0.1584415 3.919186 
1 1 1  -17   30   23 o   17.458   1.6506  340.474   32.950  272.244   94.577  349.899   35.152   15.988   3.1595   18.929   0.9567 -2.941409 3.301124 
1 1 1  -17   30   24 f   25.952   1.1185  630.241   38.560  719.138  107.566  617.132   41.306   26.761   2.0706   25.143   0.8463 1.617874 2.236915 
1 1 1  -17   30   25 o   19.752   1.4352  337.183   39.556  481.498  108.932  315.264   42.454   21.606   2.5973   17.899   1.2219 3.706705 2.870378 
1 1 1  -17   30   26 o   12.000   2.2511  141.585   41.682  189.276  108.252  133.284   45.164   12.726   3.9599   11.273   2.1422 1.453489 4.502253 
1 1 1  -17   31    1 o   31.113   0.7537  940.694   45.501  977.645   64.589  904.290   64.110   31.720   1.0490   30.506   1.0826 1.214306 1.507441 
1 1 1  -17   31    2 o  117.094   1.0427 13335.78  237.003 13403.60  335.241 13268.02  335.104  117.392   1.4711  116.796   1.4780 0.5963669 2.085390 
1 1 1  -17   31    3 o   33.832   0.6970  1111.38   45.761  1077.01   63.953  1147.44   65.507   33.296   0.9895   34.367   0.9819 -1.071648 1.393997 
1 1 1  -17   31    4 o   57.628   0.6623  3222.75   74.034  3142.88  102.403  3310.22  107.159   56.881   0.9274   58.374   0.9457 -1.493607 1.324547 
1 1 1  -17   31    5 o   35.429   0.9947  1223.53   54.961  1225.45   61.568  1215.96  121.957   35.519   0.8930   35.340   1.7778 0.1791573 1.989437 
1 1 1  -17   31    6 o   24.931   0.7299  602.644   35.246  585.420   48.012  622.776   51.907   24.546   1.0076   25.316   1.0563 -0.7697182 1.459786 
1 1 1  -17   31    7 o   89.273   0.8255  7746.49  143.031  7727.15  200.080  7766.70  204.547   89.160   1.1560   89.386   1.1789 -0.2252502 1.651087 
1 1 1  -17   31    8 f   27.203   0.5858  718.436   30.917  688.181   43.258  750.027   44.203   26.617   0.8372   27.788   0.8195 -1.170763 1.171528 
1 1 1  -17   31    9 o   62.371   1.0702  3784.75  129.487  3768.79  179.817  3801.93  186.616   62.237   1.4884   62.505   1.5381 -0.2677345 2.140306 
1 1 1  -17   31   10 o   11.318   2.7782  104.543   80.214  175.244  108.519   19.390  119.095   13.230   3.9352   9.4056   3.9227 3.824412 5.556360 
1 1 1  -17   31   11 o   30.473   1.3677  903.842   80.836  951.375  117.101  860.571  111.727   31.238   1.9312   29.709   1.9373 1.528538 2.735442 
1 1 1  -17   31   12 o   36.342   1.6474  1286.43  116.217  1286.43  116.217   0.0000   0.0000   36.342   1.6474  ?   ?       ?      ? 
1 1 1  -17   31   13 o   39.879   1.5961  1549.20  123.556  1549.20  123.556   0.0000   0.0000   39.879   1.5961  ?   ?       ?      ? 
1 1 1  -17   31   14 o   14.177   3.8319  206.679  107.970  206.679  107.970   0.0000   0.0000   14.177   3.8319  ?   ?       ?      ? 
1 1 1  -17   31   15 o   53.343   1.5242  2774.77  157.832  2774.77  157.832   0.0000   0.0000   53.343   1.5242  ?   ?       ?      ? 
1 1 1  -17   31   16 o   42.745   1.5325  1782.85  127.158  1782.85  127.158   0.0000   0.0000   42.745   1.5325  ?   ?       ?      ? 
1 1 1  -17   31   17 o   30.985   2.0471  942.247  123.127  942.247  123.127   0.0000   0.0000   30.985   2.0471  ?   ?       ?      ? 
1 1 1  -17   31   18 f   20.471   2.8739  417.162  114.203  417.162  114.203   0.0000   0.0000   20.471   2.8739  ?   ?       ?      ? 
1 1 1  -17   31   19 o   33.568   1.9060  1107.82  124.195  1107.82  124.195   0.0000   0.0000   33.568   1.9060  ?   ?       ?      ? 
1 1 1  -17   31   20 o   7.9429   3.4407  -4.2540   97.836  -4.2540   97.836   0.0000   0.0000   7.9429   3.4407  ?   ?       ?      ? 
1 1 1  -17   31   21 o   47.311   1.6075  2203.64  147.630  2203.64  147.630   0.0000   0.0000   47.311   1.6075  ?   ?       ?      ? 
1 1 1  -17   31   22 o   21.589   1.3328  425.099   26.650  507.245  112.079  420.176   27.437   22.402   2.5774   20.777   0.6803 1.625195 2.665642 
1 1 1  -17   31   23 o   36.265   0.8586  1263.69   41.674  1327.15  113.255  1253.75   44.819   36.644   1.5922   35.887   0.6434 0.7565613 1.717257 
1 1 1  -17   31   24 o   18.825   1.6072  403.341   34.829  310.327   97.814  416.846   37.272   17.003   3.0769   20.648   0.9299 -3.645128 3.214308 
1 1 1  -17   31   25 o   12.581   1.9814  145.160   35.662  206.945   95.417  135.128   38.448   13.527   3.5785   11.635   1.7023 1.891794 3.962814 
1 1 1  -17   31   26 o   9.5465   2.2064   92.607   38.895   93.394   98.725   92.462   42.318   9.8050   3.7374   9.2880   2.3464 0.5169630 4.412891 
1 1 1  -17   32    1 o   65.537   0.6969  4172.24   88.552  4152.02  122.201  4194.59  128.501   65.371   0.9630   65.702   1.0075 -0.3310089 1.393727 
1 1 1  -17   32    2 o  116.514   1.0422 13206.42  235.698 13407.05  335.225 13010.26  331.463  117.389   1.4711  115.638   1.4766 1.751152 2.084358 
1 1 1  -17   32    3 o   7.2034   1.9334   32.427   38.383   8.2640   54.747   55.786   53.828   6.3890   2.6617   8.0178   2.8050 -1.628785 3.866827 
1 1 1  -17   32    4 f   56.935   0.7401  3112.97   79.052  3011.37   98.979  3291.95  131.366   55.675   0.9158   58.195   1.1629 -2.519337 1.480214 
1 1 1  -17   32    5 o   18.642   0.9508  341.876   33.801  415.911   47.849  268.128   47.756   20.684   1.1917   16.600   1.4820 4.083702 1.901698 
1 1 1  -17   32    6 o   96.679   0.8826  9081.98  165.548  8924.74  229.455  9252.69  239.083   95.809   1.2337   97.549   1.2626 -1.740456 1.765287 
1 1 1  -17   32    7 o   33.526   0.5790  1091.67   37.679  1083.23   53.001  1100.29   53.576   33.395   0.8176   33.657   0.8200 -0.2618904 1.157974 
1 1 1  -17   32    8 o   99.647   1.1371  9596.68  203.952  9483.92  245.368  9848.71  366.843   98.760   1.2799  100.535   1.8797 -1.775391 2.274101 
1 1 1  -17   32    9 o   46.815   1.1479  2132.74  103.949  2122.93  141.016  2144.41  153.831   46.703   1.5554   46.927   1.6887 -0.2240715 2.295887 
1 1 1  -17   32   10 o   80.217   1.1519  6261.93  179.314  6425.87  257.449  6107.48  249.897   81.235   1.6326   79.198   1.6255 2.036957 2.303823 
1 1 1  -17   32   11 o   31.123   1.2985  933.205   77.535  1014.27  121.007  876.739  100.990   32.249   1.9330   29.997   1.7344 2.251978 2.597019 
1 1 1  -17   32   12 o  104.484   1.9262 10651.30  390.681 10651.30  390.681   0.0000   0.0000  104.484   1.9262  ?   ?       ?      ? 
1 1 1  -17   32   13 o   81.518   1.5944  6476.52  252.299  6476.52  252.299   0.0000   0.0000   81.518   1.5944  ?   ?       ?      ? 
1 1 1  -17   32   14 o   18.000   3.3249  330.791  111.897  330.791  111.897   0.0000   0.0000   18.000   3.3249  ?   ?       ?      ? 
1 1 1  -17   32   15 o   41.121   1.6992  1651.48  135.636  1651.48  135.636   0.0000   0.0000   41.121   1.6992  ?   ?       ?      ? 
1 1 1  -17   32   16 o   9.2184   3.6804   46.193   99.355   46.193   99.355   0.0000   0.0000   9.2184   3.6804  ?   ?       ?      ? 
1 1 1  -17   32   17 o   35.742   1.8888  1252.86  131.049  1252.86  131.049   0.0000   0.0000   35.742   1.8888  ?   ?       ?      ? 
1 1 1  -17   32   18 o   33.466   1.7084  1097.54  110.987  1097.54  110.987   0.0000   0.0000   33.466   1.7084  ?   ?       ?      ? 
1 1 1  -17   32   19 o   29.624   2.1836  867.901  125.570  867.901  125.570   0.0000   0.0000   29.624   2.1836  ?   ?       ?      ? 
1 1 1  -17   32   20 o   7.2130   3.2263 -30.9801   92.686 -30.9801   92.686   0.0000   0.0000   7.2130   3.2263  ?   ?       ?      ? 
1 1 1  -17   32   21 o   34.810   1.7753  1198.58  119.962  1198.58  119.962   0.0000   0.0000   34.810   1.7753  ?   ?       ?      ? 
1 1 1  -17   32   22 o   11.330   2.1099  109.068   18.014  154.048  116.075  107.958   18.235   12.141   4.1242   10.519   0.8930 1.621684 4.219767 
1 1 1  -17   32   23 o   29.438   1.0743  800.156   33.057  925.754  121.333  790.086   34.356   30.388   2.0569   28.488   0.6213 1.899193 2.148685 
1 1 1  -17   32   24 o   11.673   2.0121  164.294   31.265   97.120  101.892  171.277   32.850   10.158   3.8140   13.187   1.2833 -3.028451 4.024148 
1 1 1  -17   32   25 o   8.6440   2.1583   60.630   33.861  100.223   92.355   54.481   36.396   9.9884   3.6527   7.2996   2.3002 2.688800 4.316573 
1 1 1  -17   32   26 o   18.493   1.4848  339.382   37.486  364.708   98.853  335.128   40.512   18.548   2.7455   18.438   1.1319 0.1104736 2.969648 
1 1 1  -17   33    1 o  100.230   0.9168  9768.42  178.360  9731.84  250.674  9805.94  253.833  100.041   1.2908  100.419   1.3022 -0.3784943 1.833536 
1 1 1  -17   33    2 o   24.220   0.9196  570.512   42.992  653.814   61.875  492.758   59.779   25.932   1.2292   22.508   1.3682 3.423992 1.839221 
1 1 1  -17   33    3 o   65.620   0.6964  4182.95   88.685  4145.22  123.846  4222.67  127.056   65.317   0.9768   65.923   0.9929 -0.6061630 1.392794 
1 1 1  -17   33    4 o   58.987   0.6548  3381.23   74.899  3401.05  103.789  3359.69  108.195   59.169   0.9036   58.805   0.9478 0.3635788 1.309555 
1 1 1  -17   33    5 o   38.269   0.6155  1421.43   45.671  1398.26   62.901  1447.26   66.421   37.940   0.8541   38.598   0.8865 -0.6578484 1.230974 
1 1 1  -17   33    6 o   64.883   0.6605  4089.82   83.182  4101.93  118.127  4077.90  117.155   64.978   0.9365   64.787   0.9315 0.1902695 1.320929 
1 1 1  -17   33    7 o   21.112   0.7255  431.443   29.674  466.158   43.542  401.337   40.549   21.902   1.0241   20.322   1.0279 1.579872 1.450976 
1 1 1  -17   33    8 o   29.019   1.2861  899.528   42.039  919.577   44.413  726.844  130.344   30.771   0.7435   27.268   2.4625 3.502562 2.572300 
1 1 1  -17   33    9 o   45.975   1.1098  2058.33   99.008  2034.62  141.545  2081.04  138.541   45.713   1.5951   46.236   1.5436 -0.5230904 2.219694 
1 1 1  -17   33   10 o   63.184   1.0695  3884.08  131.130  4018.21  187.836  3756.56  183.146   64.248   1.5061   62.119   1.5188 2.128536 2.138959 
1 1 1  -17   33   11 f   14.866   3.8434  227.110  111.729  227.110  111.729   0.0000   0.0000   14.866   3.8434  ?   ?       ?      ? 
1 1 1  -17   33   12 o   14.024   3.6175  202.171   99.128  202.171   99.128   0.0000   0.0000   14.024   3.6175  ?   ?       ?      ? 
1 1 1  -17   33   13 o   50.414   1.3764  2475.64  134.703  2475.64  134.703   0.0000   0.0000   50.414   1.3764  ?   ?       ?      ? 
1 1 1  -17   33   14 o   51.696   1.5738  2607.47  157.928  2607.47  157.928   0.0000   0.0000   51.696   1.5738  ?   ?       ?      ? 
1 1 1  -17   33   15 o   47.877   1.5930  2238.20  148.048  2238.20  148.048   0.0000   0.0000   47.877   1.5930  ?   ?       ?      ? 
1 1 1  -17   33   16 o   35.938   1.6246  1262.68  113.339  1262.68  113.339   0.0000   0.0000   35.938   1.6246  ?   ?       ?      ? 
1 1 1  -17   33   17 o   57.275   1.5844  3209.08  176.152  3209.08  176.152   0.0000   0.0000   57.275   1.5844  ?   ?       ?      ? 
1 1 1  -17   33   18 o   29.766   1.8654  870.754  107.785  870.754  107.785   0.0000   0.0000   29.766   1.8654  ?   ?       ?      ? 
1 1 1  -17   33   19 o   26.524   2.3160  699.470  119.246  699.470  119.246   0.0000   0.0000   26.524   2.3160  ?   ?       ?      ? 
1 1 1  -17   33   20 o   36.056   1.7476  1282.89  122.318  1282.89  122.318   0.0000   0.0000   36.056   1.7476  ?   ?       ?      ? 
1 1 1  -17   33   21 o   27.721   1.9084  762.801  102.692  762.801  102.692   0.0000   0.0000   27.721   1.9084  ?   ?       ?      ? 
1 1 1  -17   33   22 o   5.7831   2.8371 -199.6882  108.905 -199.6882  108.905   0.0000   0.0000   5.7831   2.8371  ?   ?       ?      ? 
1 1 1  -17   33   23 o   37.680   0.9522  1266.55   39.026  1567.73  139.468  1240.96   40.650   39.653   1.8119   35.706   0.5865 3.947140 1.904441 
1 1 1  -17   33   24 o   13.915   2.0758  206.887   28.335  203.293  112.557  207.130   29.277   13.295   4.0199   14.535   1.0377 -1.239975 4.151640 
1 1 1  -17   33   25 o   20.560   1.5001  390.046   34.230  484.826  118.401  381.402   35.756   21.393   2.8512   19.727   0.9338 1.665987 3.000198 
1 1 1  -17   34    1 o   40.629   0.9926  1603.97   78.280   0.0000   0.0000  1603.97   78.280  ?   ?    40.629   0.9926      ?      ? 
1 1 1  -17   34    2 o   41.939   1.0646  1756.85   69.525  1788.91   78.186  1635.74  151.976   42.910   0.9387   40.967   1.9111 1.942822 2.129136 
1 1 1  -17   34    3 o   17.195   1.2233  287.725   40.408  286.368   53.381  289.546   61.840   17.152   1.6033   17.238   1.8480 -0.8665848E-01 2.446551 
1 1 1  -17   34    4 o   67.944   0.6943  4476.98   91.428  4340.15  125.185  4633.40  133.848   66.835   0.9649   69.053   0.9985 -2.218414 1.388560 
1 1 1  -17   34    5 o   17.276   1.0409  290.074   34.814  261.757   48.362  320.528   50.154   16.400   1.5191   18.151   1.4234 -1.750940 2.081799 
1 1 1  -17   34    6 o   49.943   0.6167  2422.36   59.781  2382.11   83.581  2464.52   85.541   49.519   0.8695   50.368   0.8749 -0.8490448 1.233482 
1 1 1  -17   34    7 o   21.017   1.4909  359.657   39.295  340.600   41.404  532.573  124.717   18.718   1.1395   23.316   2.7555 -4.598446 2.981814 
1 1 1  -17   34    8 o   24.213   1.2246  535.542   31.656  528.868   32.953  615.292  113.912   23.335   0.7275   25.091   2.3388 -1.755960 2.449297 
1 1 1  -17   34    9 o   51.302   1.0872  2560.55  108.213  2621.90  156.061  2503.74  150.181   51.892   1.5493   50.712   1.5256 1.180325 2.174337 
1 1 1  -17   34   10 f   13.104   2.9204  169.705   83.463  191.733  112.416  142.647  124.591   13.749   3.9824   12.459   4.2725 1.290687 5.840735 
1 1 1  -17   34   11 o   81.479   1.6413  6471.43  259.599  6471.43  259.599   0.0000   0.0000   81.479   1.6413  ?   ?       ?      ? 
1 1 1  -17   34   12 o   31.419   1.7882  963.780  109.059  963.780  109.059   0.0000   0.0000   31.419   1.7882  ?   ?       ?      ? 
1 1 1  -17   34   13 o   72.272   1.5547  5095.14  218.110  5095.14  218.110   0.0000   0.0000   72.272   1.5547  ?   ?       ?      ? 
1 1 1  -17   34   14 o   46.825   1.6170  2140.86  146.975  2140.86  146.975   0.0000   0.0000   46.825   1.6170  ?   ?       ?      ? 
1 1 1  -17   34   15 o   28.834   2.0468  815.814  114.562  815.814  114.562   0.0000   0.0000   28.834   2.0468  ?   ?       ?      ? 
1 1 1  -17   34   16 o   12.682   4.0384  162.398  111.965  162.398  111.965   0.0000   0.0000   12.682   4.0384  ?   ?       ?      ? 
1 1 1  -17   34   17 o   21.531   2.8892  462.676  120.758  462.676  120.758   0.0000   0.0000   21.531   2.8892  ?   ?       ?      ? 
1 1 1  -17   34   18 o   15.640   3.6657  259.555  109.349  259.555  109.349   0.0000   0.0000   15.640   3.6657  ?   ?       ?      ? 
1 1 1  -17   34   19 o   20.298   2.7860  415.504  109.774  415.504  109.774   0.0000   0.0000   20.298   2.7860  ?   ?       ?      ? 
1 1 1  -17   34   20 o   17.744   3.5787  338.708  119.013  338.708  119.013   0.0000   0.0000   17.744   3.5787  ?   ?       ?      ? 
1 1 1  -17   34   21 o   6.2319   2.9418 -93.6503   93.116 -93.6503   93.116   0.0000   0.0000   6.2319   2.9418  ?   ?       ?      ? 
1 1 1  -17   34   22 o   29.379   1.8527  859.681  105.663  859.681  105.663   0.0000   0.0000   29.379   1.8527  ?   ?       ?      ? 
1 1 1  -17   34   23 o   10.116   3.9046   90.052  108.658   90.052  108.658   0.0000   0.0000   10.116   3.9046  ?   ?       ?      ? 
1 1 1  -17   34   24 o   7.4161   2.1462   20.319   22.090   92.035  108.681   17.229   22.560   10.069   3.8998   4.7637   1.7935 5.304777 4.292412 
1 1 1  -17   34   25 o   7.0605   2.0910   31.213   30.667 -10.8032  114.216   34.477   31.836   8.0163   3.5838   6.1047   2.1555 1.911623 4.182079 
1 1 1  -17   35    1 o   73.615   0.7437  5267.44  106.268  5340.07  150.175  5194.61  150.398   74.124   1.0437   73.106   1.0598 1.018074 1.487434 
1 1 1  -17   35    2 o   49.425   0.7366  2371.12   69.499  2390.65  108.825  2357.67   90.314   49.590   1.1305   49.259   0.9445 0.3315086 1.473132 
1 1 1  -17   35    3 o   54.802   0.6549  2914.94   69.522  2873.20   94.947  2963.20  102.077   54.381   0.8994   55.223   0.9522 -0.8418617 1.309853 
1 1 1  -17   35    4 o   9.6018   1.8759   93.021   36.151   97.276   50.769   88.644   51.488   9.8007   2.6187   9.4029   2.6868 0.3978338 3.751837 
1 1 1  -17   35    5 o   79.412   0.7721  6130.46  119.008  6159.04  166.975  6100.94  169.663   79.601   1.0806   79.223   1.1032 0.3787460 1.544298 
1 1 1  -17   35    6 o   20.752   1.4819  379.124   43.631  361.846   47.107  483.391  115.723   19.289   1.2581   22.215   2.6836 -2.925970 2.963839 
1 1 1  -17   35    7 o   17.112   1.6011  212.109   35.647  191.440   37.555  400.247  113.303   14.027   1.3792   20.197   2.8900 -6.169896 3.202246 
1 1 1  -17   35    8 o   72.043   1.1374  5050.72  158.936  4945.96  219.543  5166.08  230.387   71.262   1.5871   72.824   1.6298 -1.561646 2.274843 
1 1 1  -17   35    9 o   32.152   1.5220  1006.52   94.757  959.371  128.614  1062.49  140.138   31.336   2.1144   32.969   2.1897 -1.633308 3.043913 
1 1 1  -17   35   10 o   56.672   1.0933  3131.54  120.199  3228.96  168.944  3031.69  171.049   57.570   1.5117   55.774   1.5799 1.795933 2.186635 
1 1 1  -17   35   11 o   15.083   3.6742  235.147  106.585  235.147  106.585   0.0000   0.0000   15.083   3.6742  ?   ?       ?      ? 
1 1 1  -17   35   12 o   51.608   1.4247  2595.90  142.728  2595.90  142.728   0.0000   0.0000   51.608   1.4247  ?   ?       ?      ? 
1 1 1  -17   35   13 o   61.197   1.5281  3654.15  181.531  3654.15  181.531   0.0000   0.0000   61.197   1.5281  ?   ?       ?      ? 
1 1 1  -17   35   14 o   55.432   1.5554  3000.76  167.370  3000.76  167.370   0.0000   0.0000   55.432   1.5554  ?   ?       ?      ? 
1 1 1  -17   35   15 o   37.820   1.6886  1399.84  123.966  1399.84  123.966   0.0000   0.0000   37.820   1.6886  ?   ?       ?      ? 
1 1 1  -17   35   16 o   50.895   1.6204  2535.52  160.084  2535.52  160.084   0.0000   0.0000   50.895   1.6204  ?   ?       ?      ? 
1 1 1  -17   35   17 o   18.001   3.3081  336.459  111.340  336.459  111.340   0.0000   0.0000   18.001   3.3081  ?   ?       ?      ? 
1 1 1  -17   35   18 o   24.661   2.5312  607.923  121.171  607.923  121.171   0.0000   0.0000   24.661   2.5312  ?   ?       ?      ? 
1 1 1  -17   35   19 o   30.336   1.7951  909.128  105.709  909.128  105.709   0.0000   0.0000   30.336   1.7951  ?   ?       ?      ? 
1 1 1  -17   35   20 o   13.325   4.0936  193.610  116.104  193.610  116.104   0.0000   0.0000   13.325   4.0936  ?   ?       ?      ? 
1 1 1  -17   35   21 o   22.514   2.7212  517.276  118.925  517.276  118.925   0.0000   0.0000   22.514   2.7212  ?   ?       ?      ? 
1 1 1  -17   35   22 o   13.280   3.6117  195.953   95.566  195.953   95.566   0.0000   0.0000   13.280   3.6117  ?   ?       ?      ? 
1 1 1  -17   35   23 o   13.049   3.7435  192.756   99.761  192.756   99.761   0.0000   0.0000   13.049   3.7435  ?   ?       ?      ? 
1 1 1  -17   35   24 o   17.948   2.8504  340.260   99.310  340.260   99.310   0.0000   0.0000   17.948   2.8504  ?   ?       ?      ? 
1 1 1  -17   36    1 o   40.002   0.6918  1559.44   53.438  1603.05   72.588  1507.86   78.958   40.617   0.9206   39.387   1.0327 1.230194 1.383509 
1 1 1  -17   36    2 o   61.948   0.6881  3729.99   82.523  3738.12  112.688  3720.58  121.186   62.023   0.9360   61.872   1.0090 0.1515045 1.376265 
1 1 1  -17   36    3 o   49.793   0.7259  2415.62   69.206  2373.47  106.604  2446.33   90.986   49.410   1.1114   50.175   0.9342 -0.7646713 1.451883 
1 1 1  -17   36    4 o   40.604   0.6957  1596.43   54.212  1640.03   83.668  1564.87   71.174   41.076   1.0493   40.131   0.9136 0.9450874 1.391329 
1 1 1  -17   36    5 o   65.499   0.9216  4128.17  104.539  4074.31  122.325  4274.06  201.315   64.749   0.9732   66.250   1.5654 -1.500908 1.843281 
1 1 1  -17   36    6 o   25.264   1.4355  636.660   46.667  641.373   50.016  604.956  129.718   25.688   1.0030   24.841   2.6901 0.8474102 2.871019 
1 1 1  -17   36    7 o   21.533   1.5821  400.431   36.963  390.541   38.448  521.165  134.328   20.045   0.9881   23.021   3.0059 -2.975779 3.164181 
1 1 1  -17   36    8 o   57.975   1.1377  3273.15  127.684  3245.05  173.882  3306.02  188.100   57.713   1.5521   58.237   1.6639 -0.5233536 2.275419 
1 1 1  -17   36    9 o   68.172   1.1074  4529.89  146.531  4624.31  207.621  4436.18  206.834   68.882   1.5527   67.461   1.5794 1.420555 2.214870 
1 1 1  -17   36   10 o   36.836   1.1932  1331.45   84.372  1270.49  127.561  1378.86  112.493   36.065   1.8221   37.606   1.5410 -1.540535 2.386335 
1 1 1  -17   36   11 o   69.315   1.5057  4685.35  202.599  4685.35  202.599   0.0000   0.0000   69.315   1.5057  ?   ?       ?      ? 
1 1 1  -17   36   12 o   18.721   2.7236  345.852   98.979  345.852   98.979   0.0000   0.0000   18.721   2.7236  ?   ?       ?      ? 
1 1 1  -17   36   13 o   43.234   1.7455  1828.00  146.493  1828.00  146.493   0.0000   0.0000   43.234   1.7455  ?   ?       ?      ? 
1 1 1  -17   36   14 f   13.288   4.2437  178.376  123.567  178.376  123.567   0.0000   0.0000   13.288   4.2437  ?   ?       ?      ? 
1 1 1  -17   36   15 o   27.912   1.8939  764.735  102.613  764.735  102.613   0.0000   0.0000   27.912   1.8939  ?   ?       ?      ? 
1 1 1  -17   36   16 o   29.307   2.2235  848.269  126.496  848.269  126.496   0.0000   0.0000   29.307   2.2235  ?   ?       ?      ? 
1 1 1  -17   36   17 f   11.831   3.8331  142.412  100.540  142.412  100.540   0.0000   0.0000   11.831   3.8331  ?   ?       ?      ? 
1 1 1  -17   36   18 o   15.591   3.9028  263.661  117.848  263.661  117.848   0.0000   0.0000   15.591   3.9028  ?   ?       ?      ? 
1 1 1  -17   36   19 o   10.882   3.8043  116.791   99.009  116.791   99.009   0.0000   0.0000   10.882   3.8043  ?   ?       ?      ? 
1 1 1  -17   36   20 o   11.368   3.8846  132.035  102.985  132.035  102.985   0.0000   0.0000   11.368   3.8846  ?   ?       ?      ? 
1 1 1  -17   36   21 o   28.404   2.2950  814.357  126.541  814.357  126.541   0.0000   0.0000   28.404   2.2950  ?   ?       ?      ? 
1 1 1  -17   36   22 o   17.614   3.4982  341.656  115.389  341.656  115.389   0.0000   0.0000   17.614   3.4982  ?   ?       ?      ? 
1 1 1  -17   36   23 o   14.485   3.7802  240.588  107.421  240.588  107.421   0.0000   0.0000   14.485   3.7802  ?   ?       ?      ? 
1 1 1  -17   36   24 o   10.376   3.6974  115.591   93.883  115.591   93.883   0.0000   0.0000   10.376   3.6974  ?   ?       ?      ? 
1 1 1  -17   37    1 o   52.478   0.7531  2636.29   73.661  2536.10   91.302  2823.10  124.669   51.084   0.9207   53.873   1.1921 -2.789207 1.506293 
1 1 1  -17   37    2 o   43.976   0.6681  1878.30   56.903  1861.90   77.721  1897.24   83.541   43.771   0.9147   44.181   0.9741 -0.4096489 1.336250 
1 1 1  -17   37    3 o   45.715   0.6525  2031.16   57.872  2118.99   82.197  1944.83   81.493   46.696   0.9068   44.734   0.9385 1.962051 1.304990 
1 1 1  -17   37    4 o   43.736   1.0765  1887.49   79.146  1912.71   91.723  1813.99  156.597   44.354   1.0653   43.118   1.8709 1.236412 2.152977 
1 1 1  -17   37    5 o   18.135   2.0532  269.188   47.934  250.108   50.896  418.952  142.593   16.020   1.6367   20.250   3.7661 -4.230286 4.106390 
1 1 1  -17   37    6 o   50.348   0.9526  2479.08   75.504  2487.38   84.901  2447.71  165.114   50.593   0.8645   50.103   1.6977 0.4907341 1.905120 
1 1 1  -17   37    7 o   13.646   2.1125  138.054   33.436  127.838   34.814  259.486  120.026   11.453   1.5660   15.839   3.9240 -4.385994 4.224947 
1 1 1  -17   37    8 o   45.603   1.1677  2026.93  103.313  2075.56  149.190  1982.11  143.206   46.126   1.6662   45.080   1.6365 1.046383 2.335455 
1 1 1  -17   37    9 o   32.093   1.4147  1010.50   87.843  926.348  125.127  1092.28  123.351   30.759   2.0956   33.427   1.9010 -2.667175 2.829370 
1 1 1  -17   37   10 o   34.742   1.3505  1179.13   90.705  1165.40  122.516  1195.79  134.935   34.529   1.8278   34.954   1.9887 -0.4247704 2.701066 
1 1 1  -17   37   11 o   21.237   2.5129  444.017  103.591  444.017  103.591   0.0000   0.0000   21.237   2.5129  ?   ?       ?      ? 
1 1 1  -17   37   12 o   63.562   1.4867  3942.93  183.430  3942.93  183.430   0.0000   0.0000   63.562   1.4867  ?   ?       ?      ? 
1 1 1  -17   37   13 o   52.755   1.6010  2720.69  163.948  2720.69  163.948   0.0000   0.0000   52.755   1.6010  ?   ?       ?      ? 
1 1 1  -17   37   14 o   53.805   1.5739  2831.48  164.389  2831.48  164.389   0.0000   0.0000   53.805   1.5739  ?   ?       ?      ? 
1 1 1  -17   37   15 o   48.887   1.5341  2338.43  145.584  2338.43  145.584   0.0000   0.0000   48.887   1.5341  ?   ?       ?      ? 
1 1 1  -17   37   16 o   31.526   2.0637  981.194  126.294  981.194  126.294   0.0000   0.0000   31.526   2.0637  ?   ?       ?      ? 
1 1 1  -17   37   17 o   8.8204   3.5827   40.354   95.927   40.354   95.927   0.0000   0.0000   8.8204   3.5827  ?   ?       ?      ? 
1 1 1  -17   37   18 o   43.499   1.6413  1864.92  138.592  1864.92  138.592   0.0000   0.0000   43.499   1.6413  ?   ?       ?      ? 
1 1 1  -17   37   19 o   12.167   4.0790  155.000  113.529  155.000  113.529   0.0000   0.0000   12.167   4.0790  ?   ?       ?      ? 
1 1 1  -17   37   20 o   37.093   1.6181  1360.00  116.513  1360.00  116.513   0.0000   0.0000   37.093   1.6181  ?   ?       ?      ? 
1 1 1  -17   37   21 o   22.692   2.6335  528.183  116.006  528.183  116.006   0.0000   0.0000   22.692   2.6335  ?   ?       ?      ? 
1 1 1  -17   37   22 o   9.2535   3.8913   41.850  118.682   41.850  118.682   0.0000   0.0000   9.2535   3.8913  ?   ?       ?      ? 
1 1 1  -17   37   23 o   16.271   3.7544  304.419  116.168  304.419  116.168   0.0000   0.0000   16.271   3.7544  ?   ?       ?      ? 
1 1 1  -17   37   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   38    1 o   30.280   0.8048  892.448   47.240  951.148   67.104  834.777   66.514   31.270   1.1055   29.291   1.1698 1.979151 1.609536 
1 1 1  -17   38    2 o   72.164   0.8585  5078.54  115.950  5109.10  146.010  5026.35  190.783   72.484   1.0377   71.844   1.3680 0.6396484 1.717039 
1 1 1  -17   38    3 o   12.468   2.5208  146.151   49.832  144.065   53.681  159.152  134.023   11.914   2.4040   13.021   4.4315 -1.106802 5.041601 
1 1 1  -17   38    4 f   27.394   1.3824  788.806   53.182  816.783   58.434  653.831  128.350   28.982   1.0387   25.805   2.5622 3.176123 2.764768 
1 1 1  -17   38    5 o   54.582   0.9800  2953.60   97.683  3063.61  120.612  2743.88  166.532   56.120   1.1071   53.044   1.6173 3.075676 1.959969 
1 1 1  -17   38    6 o   29.132   1.1730  808.316   46.844  800.368   50.582  856.211  124.167   28.694   0.9081   29.571   2.1631 -0.8770409 2.345984 
1 1 1  -17   38    7 o   27.448   1.3653  805.050   40.827  820.906   42.950  656.433  131.495   29.066   0.7612   25.831   2.6224 3.234882 2.730695 
1 1 1  -17   38    8 o   26.697   1.7934  699.057   92.809  662.577  127.253  740.512  135.652   25.956   2.5256   27.437   2.5470 -1.481060 3.586859 
1 1 1  -17   38    9 o   43.737   1.2600  1863.42  106.726  1786.16  145.044  1954.64  157.605   42.757   1.7475   44.716   1.8157 -1.959381 2.520037 
1 1 1  -17   38   10 f   32.863   1.4824  1058.38   93.856  1054.35  125.197  1063.54  141.814   32.812   1.9656   32.914   2.2196 -0.1024742 2.964820 
1 1 1  -17   38   11 o   20.968   2.6087  434.111  106.183  434.111  106.183   0.0000   0.0000   20.968   2.6087  ?   ?       ?      ? 
1 1 1  -17   38   12 o   30.554   2.1021  917.341  124.676  917.341  124.676   0.0000   0.0000   30.554   2.1021  ?   ?       ?      ? 
1 1 1  -17   38   13 o   33.185   2.0811  1083.18  134.061  1083.18  134.061   0.0000   0.0000   33.185   2.0811  ?   ?       ?      ? 
1 1 1  -17   38   14 o   28.597   2.0189  804.612  112.069  804.612  112.069   0.0000   0.0000   28.597   2.0189  ?   ?       ?      ? 
1 1 1  -17   38   15 o   22.759   2.7096  516.980  119.707  516.980  119.707   0.0000   0.0000   22.759   2.7096  ?   ?       ?      ? 
1 1 1  -17   38   16 o   8.5148   3.6542   5.3070  108.354   5.3070  108.354   0.0000   0.0000   8.5148   3.6542  ?   ?       ?      ? 
1 1 1  -17   38   17 o   21.390   2.7858  462.786  115.673  462.786  115.673   0.0000   0.0000   21.390   2.7858  ?   ?       ?      ? 
1 1 1  -17   38   18 o   19.358   2.7573  380.891  103.611  380.891  103.611   0.0000   0.0000   19.358   2.7573  ?   ?       ?      ? 
1 1 1  -17   38   19 o   21.779   2.8175  484.318  119.117  484.318  119.117   0.0000   0.0000   21.779   2.8175  ?   ?       ?      ? 
1 1 1  -17   38   20 o   12.195   4.0779  160.832  113.463  160.832  113.463   0.0000   0.0000   12.195   4.0779  ?   ?       ?      ? 
1 1 1  -17   38   21 f   17.750   2.5573  323.278   88.115  323.278   88.115   0.0000   0.0000   17.750   2.5573  ?   ?       ?      ? 
1 1 1  -17   38   22 o   29.183   2.0647  861.378  116.962  861.378  116.962   0.0000   0.0000   29.183   2.0647  ?   ?       ?      ? 
1 1 1  -17   38   23 o   6.0462   2.8834 -99.7900   94.013 -99.7900   94.013   0.0000   0.0000   6.0462   2.8834  ?   ?       ?      ? 
1 1 1  -17   39    1 o   57.654   0.6790  3232.20   75.984  3215.31  106.868  3249.46  108.059   57.502   0.9574   57.806   0.9630 -0.3039742 1.357934 
1 1 1  -17   39    2 o   69.053   0.9621  4706.52  116.603  4791.77  138.716  4501.21  215.264   70.190   1.0181   67.916   1.6328 2.273735 1.924207 
1 1 1  -17   39    3 f   31.426   1.0033  960.484   61.201  960.484   61.201   0.0000   0.0000   31.426   1.0033  ?   ?       ?      ? 
1 1 1  -17   39    4 o   55.664   0.9807  3041.60   88.466  3060.32  100.658  2978.04  185.446   56.103   0.9243   55.224   1.7299 0.8792648 1.961338 
1 1 1  -17   39    5 o   7.2880   2.2929   3.4768   45.370   13.825   48.040 -81.9178  138.000   6.1825   2.5260   8.3935   3.8273 -2.210950 4.585754 
1 1 1  -17   39    6 o   38.076   1.1278  1418.77   58.731  1420.47   63.560  1408.83  153.611   38.226   0.8566   37.925   2.0866 0.3012695 2.255526 
1 1 1  -17   39    7 o   81.509   1.0427  6340.79  148.761  6167.44  174.692  6798.17  283.757   79.604   1.1305   83.413   1.7524 -3.809677 2.085459 
1 1 1  -17   39    8 o   11.045   2.9259   87.734   88.048  145.234  121.204   23.483  128.121   12.383   4.2143   9.7061   4.0601 2.677329 5.851881 
1 1 1  -17   39    9 o   40.039   1.2775  1568.59   99.270  1600.42  140.025  1536.42  140.756   40.452   1.7832   39.627   1.8298 0.8251152 2.555014 
1 1 1  -17   39   10 o   13.533   2.7333  183.013   80.731  279.579  114.920   88.923  113.437   16.376   3.7021   10.690   4.0222 5.685925 5.466621 
1 1 1  -17   39   11 o   14.041   3.7751  205.969  105.123  205.969  105.123   0.0000   0.0000   14.041   3.7751  ?   ?       ?      ? 
1 1 1  -17   39   12 o   18.503   3.6624  356.929  126.891  356.929  126.891   0.0000   0.0000   18.503   3.6624  ?   ?       ?      ? 
1 1 1  -17   39   13 o   46.729   1.7324  2140.68  157.141  2140.68  157.141   0.0000   0.0000   46.729   1.7324  ?   ?       ?      ? 
1 1 1  -17   39   14 o   15.679   3.6505  259.804  109.031  259.804  109.031   0.0000   0.0000   15.679   3.6505  ?   ?       ?      ? 
1 1 1  -17   39   15 f   26.854   2.4144  718.346  125.862  718.346  125.862   0.0000   0.0000   26.854   2.4144  ?   ?       ?      ? 
1 1 1  -17   39   16 o   31.743   1.7925  994.348  110.454  994.348  110.454   0.0000   0.0000   31.743   1.7925  ?   ?       ?      ? 
1 1 1  -17   39   17 o   16.000   3.8295  280.016  117.353  280.016  117.353   0.0000   0.0000   16.000   3.8295  ?   ?       ?      ? 
1 1 1  -17   39   18 o   27.348   1.9746  743.721  104.824  743.721  104.824   0.0000   0.0000   27.348   1.9746  ?   ?       ?      ? 
1 1 1  -17   39   19 o   22.159   2.6550  500.892  114.203  500.892  114.203   0.0000   0.0000   22.159   2.6550  ?   ?       ?      ? 
1 1 1  -17   39   20 o   27.175   2.3311  749.128  122.967  749.128  122.967   0.0000   0.0000   27.175   2.3311  ?   ?       ?      ? 
1 1 1  -17   39   21 o   27.159   2.2353  749.182  117.847  749.182  117.847   0.0000   0.0000   27.159   2.2353  ?   ?       ?      ? 
1 1 1  -17   39   22 o   14.333   3.5927  234.620   99.766  234.620   99.766   0.0000   0.0000   14.333   3.5927  ?   ?       ?      ? 
1 1 1  -17   39   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   40    1 o   83.122   1.0405  6846.96  155.672  7039.27  189.247  6444.52  273.763   85.036   1.1465   81.209   1.7366 3.827148 2.080927 
1 1 1  -17   40    2 o   55.567   0.9441  3074.14   88.934  3146.87  103.806  2873.46  172.433   56.885   0.9401   54.249   1.6374 2.635540 1.888103 
1 1 1  -17   40    3 o   9.0232   2.3698   68.845   48.563   84.142   52.714 -16.9568  124.845   9.1802   2.7454   8.8662   3.8635 0.3140001 4.739597 
1 1 1  -17   40    4 o   20.967   1.3240  428.364   53.890  428.364   53.890   0.0000   0.0000   20.967   1.3240  ?   ?       ?      ? 
1 1 1  -17   40    5 o   65.202   0.9386  4180.09  104.866  4223.33  122.676  4062.76  202.086   65.896   0.9590   64.508   1.6138 1.387405 1.877272 
1 1 1  -17   40    6 o   39.430   1.0019  1577.06   58.306  1612.21   64.597  1422.57  135.446   40.724   0.8171   38.136   1.8296 2.588608 2.003825 
1 1 1  -17   40    7 o   40.322   1.2650  1582.14   98.677  1777.81  144.936  1413.07  134.724   42.640   1.7510   38.003   1.8262 4.637215 2.530063 
1 1 1  -17   40    8 o   47.201   1.1098  2192.13  100.482  2057.03  151.520  2298.18  134.248   45.867   1.7018   48.535   1.4249 -2.667309 2.219556 
1 1 1  -17   40    9 o   30.527   1.5267  909.430   90.120  1024.13  133.669  813.846  122.023   32.283   2.1330   28.770   2.1849 3.513304 3.053452 
1 1 1  -17   40   10 o   45.944   1.0662  2058.60   94.862  2116.75  139.827  2009.01  129.122   46.536   1.5479   45.353   1.4667 1.183537 2.132373 
1 1 1  -17   40   11 o   9.5156   3.7776   53.778  104.135   53.778  104.135   0.0000   0.0000   9.5156   3.7776  ?   ?       ?      ? 
1 1 1  -17   40   12 o   28.821   2.3726  821.536  132.742  821.536  132.742   0.0000   0.0000   28.821   2.3726  ?   ?       ?      ? 
1 1 1  -17   40   13 o   25.573   2.5245  649.899  125.316  649.899  125.316   0.0000   0.0000   25.573   2.5245  ?   ?       ?      ? 
1 1 1  -17   40   14 o   28.411   1.8444  795.236  101.719  795.236  101.719   0.0000   0.0000   28.411   1.8444  ?   ?       ?      ? 
1 1 1  -17   40   15 o   33.774   1.9832  1129.24  130.021  1129.24  130.021   0.0000   0.0000   33.774   1.9832  ?   ?       ?      ? 
1 1 1  -17   40   16 o   25.037   2.1820  625.389  106.045  625.389  106.045   0.0000   0.0000   25.037   2.1820  ?   ?       ?      ? 
1 1 1  -17   40   17 o   20.574   3.0018  433.904  119.883  433.904  119.883   0.0000   0.0000   20.574   3.0018  ?   ?       ?      ? 
1 1 1  -17   40   18 o   20.449   2.8837  429.052  114.471  429.052  114.471   0.0000   0.0000   20.449   2.8837  ?   ?       ?      ? 
1 1 1  -17   40   19 o   6.3749   3.0079 -92.5164   97.126 -92.5164   97.126   0.0000   0.0000   6.3749   3.0079  ?   ?       ?      ? 
1 1 1  -17   40   20 o   30.780   2.1276  956.555  127.127  956.555  127.127   0.0000   0.0000   30.780   2.1276  ?   ?       ?      ? 
1 1 1  -17   40   21 o   9.3209   3.9165   46.235  120.062   46.235  120.062   0.0000   0.0000   9.3209   3.9165  ?   ?       ?      ? 
1 1 1  -17   40   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   41    1 o   41.391   1.0550  1631.01   68.598  1602.92   76.704  1743.26  153.315   40.590   0.9735   42.192   1.8719 -1.602806 2.109925 
1 1 1  -17   41    2 o   39.711   1.0643  1549.64   65.912  1556.86   73.911  1521.58  145.675   40.005   0.9518   39.416   1.9039 0.5893211 2.128559 
1 1 1  -17   41    3 o   40.010   1.0567  1659.63   65.198  1730.22   73.603  1402.42  140.494   42.179   0.8989   37.840   1.9127 4.338676 2.113370 
1 1 1  -17   41    4 o   41.191   1.0332  1696.00   64.445  1721.26   71.778  1591.02  146.350   42.071   0.8789   40.311   1.8703 1.759888 2.066476 
1 1 1  -17   41    5 o   54.171   0.8830  2853.86   92.858  2853.86   92.858   0.0000   0.0000   54.171   0.8830  ?   ?       ?      ? 
1 1 1  -17   41    6 o   29.111   1.3856  838.519   47.147  840.515   49.770  821.062  147.178   29.398   0.8721   28.824   2.6304 0.5740414 2.771197 
1 1 1  -17   41    7 o   43.418   1.2792  1845.56  107.148  1841.03  143.710  1851.24  160.785   43.379   1.7066   43.457   1.9060 -0.7745743E-01 2.558396 
1 1 1  -17   41    8 o   22.493   2.1593  506.647   93.801  543.184  129.793  466.699  135.716   23.382   2.8596   21.603   3.2363 1.778568 4.318659 
1 1 1  -17   41    9 o   17.786   2.7379  329.887   91.578  302.238  123.447  363.724  136.566   16.956   3.8397   18.615   3.9040 -1.658707 5.475809 
1 1 1  -17   41   10 o   10.812   3.9163  102.140  105.805  102.140  105.805   0.0000   0.0000   10.812   3.9163  ?   ?       ?      ? 
1 1 1  -17   41   11 o   9.3271   3.8850   27.974  116.601   27.974  116.601   0.0000   0.0000   9.3271   3.8850  ?   ?       ?      ? 
1 1 1  -17   41   12 o   48.253   1.7330  2285.68  162.326  2285.68  162.326   0.0000   0.0000   48.253   1.7330  ?   ?       ?      ? 
1 1 1  -17   41   13 o   21.638   2.5881  467.894  108.711  467.894  108.711   0.0000   0.0000   21.638   2.5881  ?   ?       ?      ? 
1 1 1  -17   41   14 o   9.5100   3.8932   45.533  114.400   45.533  114.400   0.0000   0.0000   9.5100   3.8932  ?   ?       ?      ? 
1 1 1  -17   41   15 o   25.453   2.4707  650.724  122.073  650.724  122.073   0.0000   0.0000   25.453   2.4707  ?   ?       ?      ? 
1 1 1  -17   41   16 o   26.656   2.3033  712.496  119.182  712.496  119.182   0.0000   0.0000   26.656   2.3033  ?   ?       ?      ? 
1 1 1  -17   41   17 o   8.1585   3.5626  -4.8147  106.656  -4.8147  106.656   0.0000   0.0000   8.1585   3.5626  ?   ?       ?      ? 
1 1 1  -17   41   18 o   5.5454   2.7586 -268.6715  116.461 -268.6715  116.461   0.0000   0.0000   5.5454   2.7586  ?   ?       ?      ? 
1 1 1  -17   41   19 o   9.4483   3.7281   69.369  100.848   69.369  100.848   0.0000   0.0000   9.4483   3.7281  ?   ?       ?      ? 
1 1 1  -17   41   20 o   8.1788   3.5469   9.1099  104.199   9.1099  104.199   0.0000   0.0000   8.1788   3.5469  ?   ?       ?      ? 
1 1 1  -17   41   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   41   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   42    1 o   46.738   0.9259  2125.46   84.002  2125.46   84.002   0.0000   0.0000   46.738   0.9259  ?   ?       ?      ? 
1 1 1  -17   42    2 o   37.694   1.0447  1316.48   61.458  1271.05   68.303  1509.68  140.856   36.139   0.9736   39.249   1.8488 -3.109306 2.089488 
1 1 1  -17   42    3 o   34.899   1.1025  1189.83   56.691  1189.62   62.416  1190.79  135.495   34.968   0.9195   34.829   2.0041 0.1384926 2.204963 
1 1 1  -17   42    4 o   44.673   0.8600  1941.05   74.580  1941.05   74.580   0.0000   0.0000   44.673   0.8600  ?   ?       ?      ? 
1 1 1  -17   42    5 o   25.277   1.3782  598.854   47.352  588.016   50.958  667.389  128.145   24.573   1.0683   25.980   2.5409 -1.407389 2.756356 
1 1 1  -17   42    6 o   43.644   0.8142  1852.39   68.981  1852.39   68.981   0.0000   0.0000   43.644   0.8142  ?   ?       ?      ? 
1 1 1  -17   42    7 o   24.200   1.9523  582.616   90.795  588.226  120.592  575.274  137.960   24.376   2.5485   24.025   2.9582 0.3513279 3.904608 
1 1 1  -17   42    8 o   41.499   1.2790  1686.44  102.929  1636.01  141.831  1742.56  149.608   40.849   1.7887   42.148   1.8286 -1.299675 2.557914 
1 1 1  -17   42    9 o   34.929   1.4582  1206.58   97.956  1403.24  139.255  1013.97  137.817   37.797   1.8980   32.061   2.2144 5.736107 2.916478 
1 1 1  -17   42   10 o   22.794   2.5456  515.923  112.638  515.923  112.638   0.0000   0.0000   22.794   2.5456  ?   ?       ?      ? 
1 1 1  -17   42   11 o   22.381   2.8562  501.765  124.089  501.765  124.089   0.0000   0.0000   22.381   2.8562  ?   ?       ?      ? 
1 1 1  -17   42   12 o   32.398   2.2525  1041.96  141.662  1041.96  141.662   0.0000   0.0000   32.398   2.2525  ?   ?       ?      ? 
1 1 1  -17   42   13 o   53.163   1.5160  2774.93  156.452  2774.93  156.452   0.0000   0.0000   53.163   1.5160  ?   ?       ?      ? 
1 1 1  -17   42   14 o   33.345   2.0733  1105.43  134.202  1105.43  134.202   0.0000   0.0000   33.345   2.0733  ?   ?       ?      ? 
1 1 1  -17   42   15 o   21.931   2.5693  486.010  109.381  486.010  109.381   0.0000   0.0000   21.931   2.5693  ?   ?       ?      ? 
1 1 1  -17   42   16 f   12.367   4.2090  160.407  120.902  160.407  120.902   0.0000   0.0000   12.367   4.2090  ?   ?       ?      ? 
1 1 1  -17   42   17 o   10.477   3.7866  106.163   98.829  106.163   98.829   0.0000   0.0000   10.477   3.7866  ?   ?       ?      ? 
1 1 1  -17   42   18 o   20.046   3.1955  422.962  124.344  422.962  124.344   0.0000   0.0000   20.046   3.1955  ?   ?       ?      ? 
1 1 1  -17   42   19 o   6.4097   3.1138 -179.2637  122.222 -179.2637  122.222   0.0000   0.0000   6.4097   3.1138  ?   ?       ?      ? 
1 1 1  -17   42   20 o   15.120   3.6818  261.130  107.053  261.130  107.053   0.0000   0.0000   15.120   3.6818  ?   ?       ?      ? 
1 1 1  -17   42   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   43    1 o   44.439   1.0123  1925.37   70.248  1922.70   78.689  1935.84  155.898   44.449   0.9120   44.429   1.8076 0.1985168E-01 2.024643 
1 1 1  -17   43    2 o   34.456   1.1412  1158.76   57.836  1157.16   63.633  1166.37  138.692   34.479   0.9507   34.433   2.0750 0.4659271E-01 2.282406 
1 1 1  -17   43    3 o   38.144   1.0261  1397.26   59.168  1383.08   65.455  1460.64  138.359   37.702   0.8944   38.587   1.8472 -0.8851280 2.052285 
1 1 1  -17   43    4 o   36.651   1.0366  1321.54   56.428  1326.56   62.324  1298.72  132.898   36.926   0.8695   36.377   1.8820 0.5485382 2.073162 
1 1 1  -17   43    5 o   39.165   0.9589  1577.94   57.732  1634.50   64.982  1366.03  125.773   40.993   0.8166   37.337   1.7353 3.656590 1.917874 
1 1 1  -17   43    6 o   15.722   1.9633  215.225   37.010  205.789   39.003  300.550  117.284   14.516   1.3842   16.929   3.6745 -2.413011 3.926515 
1 1 1  -17   43    7 o   27.397   2.3204  741.674  123.404  741.674  123.404   0.0000   0.0000   27.397   2.3204  ?   ?       ?      ? 
1 1 1  -17   43    8 o   9.8478   2.7989   49.432   83.202   87.075  116.535   10.293  118.829   10.645   4.0598   9.0510   3.8539 1.593699 5.597745 
1 1 1  -17   43    9 o   24.129   1.8759  582.114   87.118  493.347  122.396  673.263  124.028   22.212   2.8387   26.045   2.4532 -3.832960 3.751815 
1 1 1  -17   43   10 f   26.796   2.2264  711.264  115.807  711.264  115.807   0.0000   0.0000   26.796   2.2264  ?   ?       ?      ? 
1 1 1  -17   43   11 o   22.769   2.9220  523.167  129.150  523.167  129.150   0.0000   0.0000   22.769   2.9220  ?   ?       ?      ? 
1 1 1  -17   43   12 o   20.876   3.1652  444.628  128.265  444.628  128.265   0.0000   0.0000   20.876   3.1652  ?   ?       ?      ? 
1 1 1  -17   43   13 o   33.266   1.7611  1093.03  113.725  1093.03  113.725   0.0000   0.0000   33.266   1.7611  ?   ?       ?      ? 
1 1 1  -17   43   14 o   32.993   2.0863  1085.13  133.616  1085.13  133.616   0.0000   0.0000   32.993   2.0863  ?   ?       ?      ? 
1 1 1  -17   43   15 o   25.792   2.0802  663.420  104.148  663.420  104.148   0.0000   0.0000   25.792   2.0802  ?   ?       ?      ? 
1 1 1  -17   43   16 o   7.9828   3.6480 -58.0773  126.240 -58.0773  126.240   0.0000   0.0000   7.9828   3.6480  ?   ?       ?      ? 
1 1 1  -17   43   17 o   10.693   4.0784  104.123  117.604  104.123  117.604   0.0000   0.0000   10.693   4.0784  ?   ?       ?      ? 
1 1 1  -17   43   18 o   8.7139   3.7127   25.054  110.409   25.054  110.409   0.0000   0.0000   8.7139   3.7127  ?   ?       ?      ? 
1 1 1  -17   43   19 o   13.305   4.3579  207.081  129.804  207.081  129.804   0.0000   0.0000   13.305   4.3579  ?   ?       ?      ? 
1 1 1  -17   43   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   44    1 o   20.303   1.6854  424.237   50.955  434.096   56.662  382.557  116.507   21.077   1.3849   19.530   3.0732 1.547087 3.370816 
1 1 1  -17   44    2 o   22.881   1.5290  529.559   50.247  536.347   55.177  496.583  121.612   23.448   1.2123   22.315   2.8074 1.132236 3.057968 
1 1 1  -17   44    3 o   12.789   2.2846  193.399   48.122  211.711   52.176   89.103  124.520   14.684   1.8304   10.893   4.1866 3.791167 4.569212 
1 1 1  -17   44    4 o   13.577   2.3273  153.651   45.083  138.413   48.339  255.441  124.939   11.658   2.2171   15.497   4.0925 -3.839428 4.654524 
1 1 1  -17   44    5 o   13.599   2.2068  247.883   42.459  269.769   45.029   72.413  127.499   16.614   1.3962   10.584   4.1869 6.030514 4.413534 
1 1 1  -17   44    6 o   21.486   1.5968  439.607   29.329  437.717   30.089  475.583  131.299   21.216   0.7306   21.756   3.1089 -0.5406818 3.193607 
1 1 1  -17   44    7 o   20.693   2.3557  447.969   89.364  484.808  116.483  395.269  139.320   22.040   2.7226   19.347   3.8452 2.692997 4.711496 
1 1 1  -17   44    8 o   29.128   1.7495  842.309   96.210  836.329  122.468  851.950  155.493   29.076   2.1698   29.181   2.7450 -0.1052475 3.499059 
1 1 1  -17   44    9 f   15.335   2.5469  284.161   80.233  381.077   98.177   89.282  139.218   19.525   2.5904   11.146   4.3859 8.378671 5.093717 
1 1 1  -17   44   10 o   9.7011   3.8899   57.464  111.518   57.464  111.518   0.0000   0.0000   9.7011   3.8899  ?   ?       ?      ? 
1 1 1  -17   44   11 o   14.985   4.2551  246.029  129.558  246.029  129.558   0.0000   0.0000   14.985   4.2551  ?   ?       ?      ? 
1 1 1  -17   44   12 o   41.759   1.7591  1722.98  142.599  1722.98  142.599   0.0000   0.0000   41.759   1.7591  ?   ?       ?      ? 
1 1 1  -17   44   13 o   21.104   3.1036  458.227  127.146  458.227  127.146   0.0000   0.0000   21.104   3.1036  ?   ?       ?      ? 
1 1 1  -17   44   14 o   30.869   2.2824  955.430  136.768  955.430  136.768   0.0000   0.0000   30.869   2.2824  ?   ?       ?      ? 
1 1 1  -17   44   15 o   10.616   4.1113   94.763  120.777   94.763  120.777   0.0000   0.0000   10.616   4.1113  ?   ?       ?      ? 
1 1 1  -17   44   16 o   8.1087   3.6664 -39.2569  123.384 -39.2569  123.384   0.0000   0.0000   8.1087   3.6664  ?   ?       ?      ? 
1 1 1  -17   44   17 o   15.421   4.4640  280.115  141.290  280.115  141.290   0.0000   0.0000   15.421   4.4640  ?   ?       ?      ? 
1 1 1  -17   44   18 o   9.3981   3.8393   59.438  110.963   59.438  110.963   0.0000   0.0000   9.3981   3.8393  ?   ?       ?      ? 
1 1 1  -17   44   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   44   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   45    1 o   46.700   0.9863  2097.57   72.495  2072.33   81.227  2196.39  160.732   46.129   0.9071   47.270   1.7516 -1.141682 1.972593 
1 1 1  -17   45    2 o   20.405   2.0585  483.926   51.824  508.931   56.283  344.630  132.843   22.824   1.2703   17.985   3.9160 4.839094 4.116922 
1 1 1  -17   45    3 o   29.255   1.2569  801.388   53.425  782.038   58.291  902.988  133.569   28.322   1.0603   30.188   2.2793 -1.866795 2.513835 
1 1 1  -17   45    4 o   33.301   1.0807  1063.07   53.208  1050.56   58.478  1123.27  128.246   32.844   0.9172   33.758   1.9570 -0.9146614 2.161302 
1 1 1  -17   45    5 o   28.316   1.1850  793.971   47.075  797.042   51.276  777.499  118.749   28.606   0.9234   28.027   2.1827 0.5790501 2.369972 
1 1 1  -17   45    6 o   9.7112   2.2381   63.448   27.357   58.639   28.218  138.696  111.625   7.5682   1.9182   11.854   4.0443 -4.285966 4.476141 
1 1 1  -17   45    7 o   16.534   2.5584  290.807   79.851  274.353  112.759  307.361  113.095   16.028   3.6992   17.039   3.5351 -1.010822 5.116742 
1 1 1  -17   45    8 o   21.638   2.0213  469.727   84.602  441.498  113.951  504.401  126.288   20.933   2.8042   22.343   2.9118 -1.409622 4.042530 
1 1 1  -17   45    9 o   9.2123   2.7342   30.410   78.412   32.446   95.270   26.134  138.056   8.6007   3.5406   9.8238   4.1675 -1.223122 5.468441 
1 1 1  -17   45   10 o   29.001   2.0383  834.963  114.746  834.963  114.746   0.0000   0.0000   29.001   2.0383  ?   ?       ?      ? 
1 1 1  -17   45   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   45   12 o   11.842   3.9860  145.523  108.416  145.523  108.416   0.0000   0.0000   11.842   3.9860  ?   ?       ?      ? 
1 1 1  -17   45   13 o   11.981   4.3212  142.529  128.612  142.529  128.612   0.0000   0.0000   11.981   4.3212  ?   ?       ?      ? 
1 1 1  -17   45   14 o   18.417   3.3161  363.049  114.192  363.049  114.192   0.0000   0.0000   18.417   3.3161  ?   ?       ?      ? 
1 1 1  -17   45   15 o   19.810   3.7004  431.211  137.066  431.211  137.066   0.0000   0.0000   19.810   3.7004  ?   ?       ?      ? 
1 1 1  -17   45   16 o   36.955   1.9290  1367.85  138.378  1367.85  138.378   0.0000   0.0000   36.955   1.9290  ?   ?       ?      ? 
1 1 1  -17   45   17 o   13.205   4.5536  200.815  141.615  200.815  141.615   0.0000   0.0000   13.205   4.5536  ?   ?       ?      ? 
1 1 1  -17   45   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   45   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   46    1 o   21.620   1.3563  481.986   50.032  507.509   59.159  417.883   93.756   22.767   1.3386   20.472   2.3592 2.294588 2.712504 
1 1 1  -17   46    2 o   21.777   1.4774  433.423   50.778  409.353   56.454  535.406  116.201   20.437   1.4230   23.116   2.5895 -2.679132 2.954770 
1 1 1  -17   46    3 o   9.8824   2.2667  107.199   47.867  129.785   51.542 -34.4344  129.070   11.200   2.4398   8.5654   3.8209 2.634160 4.533457 
1 1 1  -17   46    4 o   23.986   1.5274  549.896   50.127  541.430   54.079  601.543  133.570   23.539   1.1835   24.433   2.8163 -0.8933849 3.054848 
1 1 1  -17   46    5 o   11.295   2.4560  117.889   42.464  116.037   44.851  133.916  131.935   10.613   2.2470   11.977   4.3680 -1.364499 4.912046 
1 1 1  -17   46    6 o   37.603   1.0487  1350.59   41.510  1343.63   43.236  1432.51  148.395   37.173   0.5992   38.033   2.0100 -0.8601303 2.097372 
1 1 1  -17   46    7 o   43.216   1.2293  1858.16  102.016  1998.81  138.173  1689.62  151.258   45.089   1.5787   41.343   1.8848 3.746174 2.458551 
1 1 1  -17   46    8 o   12.269   2.8032  146.066   78.847   81.999  105.218  228.123  119.077   10.085   3.8549   14.454   4.0707 -4.369246 5.606346 
1 1 1  -17   46    9 o   8.2637   2.4584 -11.5175   71.580 -88.8667   97.050   80.755  105.999   6.4842   3.0429   10.043   3.8620 -3.559033 4.916784 
1 1 1  -17   46   10 o   6.8596   3.2170 -95.1339  108.168 -95.1339  108.168   0.0000   0.0000   6.8596   3.2170  ?   ?       ?      ? 
1 1 1  -17   46   11 o   6.6515   3.1670 -127.1809  112.451 -127.1809  112.451   0.0000   0.0000   6.6515   3.1670  ?   ?       ?      ? 
1 1 1  -17   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   46   13 o   11.216   4.3419  109.738  134.662  109.738  134.662   0.0000   0.0000   11.216   4.3419  ?   ?       ?      ? 
1 1 1  -17   46   14 o   27.142   2.1789  741.640  114.798  741.640  114.798   0.0000   0.0000   27.142   2.1789  ?   ?       ?      ? 
1 1 1  -17   46   15 o   8.7239   3.9793 -51.1055  149.326 -51.1055  149.326   0.0000   0.0000   8.7239   3.9793  ?   ?       ?      ? 
1 1 1  -17   46   16 f   8.3835   3.7619 -23.3362  127.092 -23.3362  127.092   0.0000   0.0000   8.3835   3.7619  ?   ?       ?      ? 
1 1 1  -17   46   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   46   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   47    1 o   12.612   2.5247  144.319   52.600  128.910   57.828  218.167  126.597   11.088   2.7097   14.136   4.2607 -3.048544 5.049360 
1 1 1  -17   47    2 o   16.808   2.1966  305.716   51.060  311.808   55.824  274.517  126.325   17.797   1.6159   15.819   4.0853 1.978111 4.393292 
1 1 1  -17   47    3 o   9.2620   2.4211   52.133   44.661   37.778   48.610  129.876  113.123   7.0002   2.6332   11.524   4.0637 -4.523575 4.842269 
1 1 1  -17   47    4 o   27.665   1.2378  769.877   51.080  778.554   56.630  732.006  118.305   28.240   1.0330   27.090   2.2498 1.150099 2.475600 
1 1 1  -17   47    5 f   23.644   1.4450  594.081   46.715  612.205   51.012  499.893  116.292   25.038   1.0496   22.249   2.6926 2.788811 2.889917 
1 1 1  -17   47    6 f   23.797   1.4808  593.615   31.404  597.769   32.399  529.092  127.700   24.785   0.6734   22.809   2.8841 1.975264 2.961674 
1 1 1  -17   47    7 o   29.165   1.6327  870.395   89.960  961.902  118.856  747.665  137.648   31.123   1.9673   27.208   2.6063 3.915268 3.265415 
1 1 1  -17   47    8 o   12.718   2.8911  174.090   79.160  183.827   96.914  154.573  137.211   13.023   3.6740   12.413   4.4650 0.6094160 5.782268 
1 1 1  -17   47    9 f   18.908   2.5892  361.502   95.034  361.502   95.034   0.0000   0.0000   18.908   2.5892  ?   ?       ?      ? 
1 1 1  -17   47   10 o   16.703   3.7626  304.666  119.071  304.666  119.071   0.0000   0.0000   16.703   3.7626  ?   ?       ?      ? 
1 1 1  -17   47   11 o   14.871   3.7622  243.452  108.687  243.452  108.687   0.0000   0.0000   14.871   3.7622  ?   ?       ?      ? 
1 1 1  -17   47   12 o   11.748   4.0816  143.731  113.883  143.731  113.883   0.0000   0.0000   11.748   4.0816  ?   ?       ?      ? 
1 1 1  -17   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   47   14 o   16.036   4.1138  295.663  128.681  295.663  128.681   0.0000   0.0000   16.036   4.1138  ?   ?       ?      ? 
1 1 1  -17   47   15 o   20.201   3.8448  459.422  145.258  459.422  145.258   0.0000   0.0000   20.201   3.8448  ?   ?       ?      ? 
1 1 1  -17   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   48    1 o   18.519   1.9882  406.994   53.545  450.176   61.235  266.737  110.359   21.392   1.4746   15.646   3.6929 5.745858 3.976454 
1 1 1  -17   48    2 f   16.686   1.8485  235.158   51.243  198.096   57.373  381.317  113.935   14.096   2.0968   19.276   3.0449 -5.180095 3.697002 
1 1 1  -17   48    3 o   8.0255   2.3732 -15.9377   45.703 -37.0717   49.264  114.601  122.435   4.8428   2.2370   11.208   4.1862 -6.365471 4.746425 
1 1 1  -17   48    4 o   15.458   2.2694  270.412   47.869  279.052   51.744  219.108  126.086   16.826   1.5842   14.090   4.2533 2.735843 4.538740 
1 1 1  -17   48    5 o   34.925   1.0647  1121.06   42.678  1102.86   44.758  1303.31  141.642   33.660   0.6850   36.190   2.0162 -2.529976 2.129420 
1 1 1  -17   48    6 o   34.750   1.0130  1137.95   38.214  1128.06   39.894  1248.01  133.072   34.053   0.6035   35.447   1.9339 -1.394192 2.025903 
1 1 1  -17   48    7 o   34.340   1.3854  1175.60   92.012  1272.40  129.024  1075.44  131.253   35.825   1.8553   32.856   2.0579 2.968594 2.770795 
1 1 1  -17   48    8 o   14.514   2.6729  229.949   74.916  227.929   96.191  233.064  119.436   14.519   3.4618   14.510   4.0734 0.8912086E-02 5.345708 
1 1 1  -17   48    9 o   9.9208   3.8349   79.012  104.931   79.012  104.931   0.0000   0.0000   9.9208   3.8349  ?   ?       ?      ? 
1 1 1  -17   48   10 o   21.188   2.9824  463.014  122.661  463.014  122.661   0.0000   0.0000   21.188   2.9824  ?   ?       ?      ? 
1 1 1  -17   48   11 o   16.240   3.4058  286.719  103.936  286.719  103.936   0.0000   0.0000   16.240   3.4058  ?   ?       ?      ? 
1 1 1  -17   48   12 o   7.9088   3.6112 -52.4582  123.389 -52.4582  123.389   0.0000   0.0000   7.9088   3.6112  ?   ?       ?      ? 
1 1 1  -17   48   13 o   10.750   4.0510  110.298  115.149  110.298  115.149   0.0000   0.0000   10.750   4.0510  ?   ?       ?      ? 
1 1 1  -17   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   49    1 o   6.9553   2.2679 -44.1611   54.204 -51.5730   60.084 -11.7538  125.636   5.2106   2.4285   8.6999   3.8310 -3.489229 4.535872 
1 1 1  -17   49    2 o   11.775   2.3426  159.854   51.757  178.218   56.535   64.789  128.631   13.351   2.1814   10.199   4.1464 3.151808 4.685197 
1 1 1  -17   49    3 o   7.2570   2.0836   28.362   45.197   56.729   49.679 -107.9154  108.888   7.7872   2.6964   6.7269   3.1773 1.060312 4.167188 
1 1 1  -17   49    4 o   22.159   1.5315  537.344   49.128  565.875   54.742  419.250  111.370   24.041   1.1730   20.276   2.8296 3.765415 3.063076 
1 1 1  -17   49    5 o   28.375   1.1839  705.101   38.649  685.064   40.447  915.568  131.088   26.515   0.7858   30.235   2.2335 -3.720123 2.367706 
1 1 1  -17   49    6 o   13.300   2.2844  171.992   27.322  171.024   27.905  194.462  134.432   13.223   1.0871   13.376   4.4375 -0.1521454 4.568750 
1 1 1  -17   49    7 o   37.311   1.3722  1403.36   97.613  1505.19  129.682  1270.26  148.269   38.995   1.7132   35.626   2.1439 3.368080 2.744369 
1 1 1  -17   49    8 o   26.406   1.6832  711.355   82.241  730.778  102.913  677.035  136.804   27.074   1.9582   25.737   2.7383 1.337566 3.366388 
1 1 1  -17   49    9 o   7.3783   3.4014 -66.2628  113.061 -66.2628  113.061   0.0000   0.0000   7.3783   3.4014  ?   ?       ?      ? 
1 1 1  -17   49   10 o   15.862   3.8888  282.676  118.818  282.676  118.818   0.0000   0.0000   15.862   3.8888  ?   ?       ?      ? 
1 1 1  -17   49   11 o   16.458   3.3260  295.104  102.607  295.104  102.607   0.0000   0.0000   16.458   3.3260  ?   ?       ?      ? 
1 1 1  -17   49   12 o   18.271   3.6470  371.053  124.819  371.053  124.819   0.0000   0.0000   18.271   3.6470  ?   ?       ?      ? 
1 1 1  -17   49   13 o   10.490   4.1042   97.663  121.307   97.663  121.307   0.0000   0.0000   10.490   4.1042  ?   ?       ?      ? 
1 1 1  -17   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   50    1 o   54.885   0.9345  3011.88   89.119  3079.78  105.527  2843.02  166.413   56.141   0.9683   53.629   1.5985 2.511322 1.868939 
1 1 1  -17   50    2 o   27.025   1.3900  754.299   56.488  770.956   63.001  685.998  127.576   28.050   1.1570   26.000   2.5277 2.049986 2.779926 
1 1 1  -17   50    3 o   7.5845   2.3701 -18.6266   47.411 -31.3979   50.973   63.284  129.091   5.0547   2.3130   10.114   4.1375 -5.059592 4.740181 
1 1 1  -17   50    4 o   11.372   2.4215  139.050   47.353  144.944   50.810  100.113  130.603   11.816   2.2979   10.927   4.2631 0.8893843 4.842982 
1 1 1  -17   50    5 o   22.584   1.6672  591.888   36.942  607.154   38.610  426.613  127.039   24.954   0.7971   20.213   3.2377 4.740385 3.334329 
1 1 1  -17   50    6 f   24.031   1.0611  481.333   29.708  461.766   31.065  690.698  101.616   21.768   0.7352   26.293   1.9909 -4.525021 2.122288 
1 1 1  -17   50    7 o   9.1710   2.6825   43.819   78.050   62.583  103.446   19.018  118.926   9.4058   3.7553   8.9362   3.8314 0.4696245 5.364911 
1 1 1  -17   50    8 o   38.760   1.2337  1451.75   89.453  1346.47  110.812  1648.70  151.564   36.897   1.5471   40.624   1.9220 -3.726341 2.467317 
1 1 1  -17   50    9 o   42.596   1.7356  1805.01  143.508  1805.01  143.508   0.0000   0.0000   42.596   1.7356  ?   ?       ?      ? 
1 1 1  -17   50   10 o   30.199   2.0849  918.396  122.221  918.396  122.221   0.0000   0.0000   30.199   2.0849  ?   ?       ?      ? 
1 1 1  -17   50   11 o   16.518   3.6506  305.603  113.941  305.603  113.941   0.0000   0.0000   16.518   3.6506  ?   ?       ?      ? 
1 1 1  -17   50   12 o   8.5407   3.8238 -18.4330  130.525 -18.4330  130.525   0.0000   0.0000   8.5407   3.8238  ?   ?       ?      ? 
1 1 1  -17   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   51    1 o   7.8416   2.4479 -96.8416   56.589 -139.7079   61.807  125.336  140.712   4.1252   2.0449   11.558   4.4483 -7.432824 4.895840 
1 1 1  -17   51    2 o   14.630   2.3855  273.284   54.593  297.731   59.568  145.003  136.453   17.298   1.7740   11.962   4.4289 5.336228 4.770972 
1 1 1  -17   51    3 o   24.642   1.6224  730.758   53.579  795.713   59.465  450.521  123.515   28.502   1.0748   20.783   3.0616 7.718744 3.244741 
1 1 1  -17   51    4 o   20.953   1.8566  543.311   39.073  566.033   41.303  349.752  120.550   24.074   0.8838   17.832   3.6066 6.242613 3.713290 
1 1 1  -17   51    5 o   42.571   1.0012  1693.75   51.392  1668.73   54.263  1911.58  160.110   41.388   0.6754   43.754   1.8851 -2.366364 2.002427 
1 1 1  -17   51    6 o   26.487   1.5379  790.208   33.552  800.483   34.528  616.124  142.115   28.673   0.6203   24.302   3.0126 4.371000 3.075759 
1 1 1  -17   51    7 o   7.7691   2.4710 -27.9135   76.605 -25.6329   98.705 -31.3679  121.479   7.4082   3.3204   8.1299   3.6604 -0.7216830 4.942022 
1 1 1  -17   51    8 o   8.3371   2.4517   24.435   67.553   70.004   95.292 -21.5986   95.778   9.3194   3.6400   7.3548   3.2854 1.964525 4.903386 
1 1 1  -17   51    9 o   18.738   3.3699  383.603  118.070  383.603  118.070   0.0000   0.0000   18.738   3.3699  ?   ?       ?      ? 
1 1 1  -17   51   10 o   7.5943   3.3790 -15.7337  100.236 -15.7337  100.236   0.0000   0.0000   7.5943   3.3790  ?   ?       ?      ? 
1 1 1  -17   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   52    1 o   40.833   1.0670  1696.95   72.503  1744.43   84.044  1558.79  143.358   42.198   1.0260   39.468   1.8712 2.730011 2.133979 
1 1 1  -17   52    2 o   11.916   2.2753  176.531   55.240  209.486   61.639   42.087  124.499   14.387   2.2071   9.4457   3.9796 4.941430 4.550630 
1 1 1  -17   52    3 f   9.3799   2.5814   66.003   51.163   62.385   55.072   88.806  138.265   8.0827   2.8367   10.677   4.3137 -2.594579 5.162809 
1 1 1  -17   52    4 o   9.3013   2.2631   88.772   38.256   96.445   39.930   2.9658  133.523   9.5893   2.1928   9.0133   3.9596 0.5759878 4.526269 
1 1 1  -17   52    5 o   25.504   1.3828  688.685   38.955  697.427   41.000  607.570  124.891   26.732   0.7901   24.276   2.6503 2.456198 2.765525 
1 1 1  -17   52    6 o   8.4448   2.3410   23.732   26.381   17.876   26.992  148.856  124.766   5.0650   1.9486   11.825   4.2572 -6.759532 4.681961 
1 1 1  -17   52    7 o   21.063   2.2981  511.810   80.568  572.204   98.069  386.412  141.311   23.792   2.1234   18.333   4.0764 5.459959 4.596270 
1 1 1  -17   52    8 o   22.927   1.9390  546.316   86.099  544.084  117.852  548.872  126.090   22.928   2.6479   22.926   2.8333 0.2418518E-02 3.877956 
1 1 1  -17   52    9 o   9.0544   3.8209   38.767  115.066   38.767  115.066   0.0000   0.0000   9.0544   3.8209  ?   ?       ?      ? 
1 1 1  -17   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   53    1 o   10.572   2.2393  134.558   62.873  200.838   69.961 -143.7025  143.347   13.700   2.7265   7.4440   3.5529 6.256427 4.478525 
1 1 1  -17   53    2 o   27.141   1.4608  668.429   60.900  624.491   67.020  876.581  145.874   25.140   1.3733   29.141   2.5787 -4.000874 2.921628 
1 1 1  -17   53    3 f   15.603   2.1510  234.695   51.315  217.712   56.794  310.188  119.743   14.702   1.9900   16.504   3.8141 -1.801567 4.302063 
1 1 1  -17   53    4 o   43.485   0.9984  1880.49   56.480  1884.24   60.599  1855.72  155.841   43.955   0.7102   43.016   1.8663 0.9390068 1.996897 
1 1 1  -17   53    5 o   21.789   1.9183  524.217   37.957  528.878   39.391  463.691  141.940   23.258   0.8725   20.320   3.7361 2.937355 3.836581 
1 1 1  -17   53    6 o   14.032   2.2585  207.031   28.596  206.579   29.290  216.234  132.183   14.512   1.0397   13.551   4.3956 0.9607220 4.516928 
1 1 1  -17   53    7 o   8.3897   2.5347   22.974   73.068   23.726  105.969   22.292  100.885   8.4822   3.6262   8.2972   3.5424 0.1849747 5.069317 
1 1 1  -17   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   54    1 o   17.750   2.1813  345.696   63.085  350.961   73.302  330.660  123.880   18.608   2.0293   16.893   3.8619 1.715143 4.362669 
1 1 1  -17   54    2 o   12.534   2.6294  150.708   58.932  124.415   66.298  249.689  128.637   10.642   3.0513   14.425   4.2830 -3.782636 5.258794 
1 1 1  -17   54    3 o   10.639   2.5325  123.875   54.277  132.971   58.930   73.004  139.363   11.063   2.7546   10.215   4.2504 0.8481674 5.064964 
1 1 1  -17   54    4 o   13.635   2.2821  141.917   41.671  120.277   44.103  322.065  127.249   10.687   2.1994   16.584   3.9992 -5.897225 4.564112 
1 1 1  -17   54    5 f   16.258   3.9093  308.123  121.861   0.0000   0.0000  308.123  121.861  ?   ?    16.258   3.9093      ?      ? 
1 1 1  -17   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   54    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   54    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   54    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   55    1 o   22.463   2.2089  518.548   96.317  518.548   96.317   0.0000   0.0000   22.463   2.2089  ?   ?       ?      ? 
1 1 1  -17   55    2 o   14.485   3.2801  236.842   90.088  236.842   90.088   0.0000   0.0000   14.485   3.2801  ?   ?       ?      ? 
1 1 1  -17   55    3 f   10.308   2.6110  115.556   52.304  115.556   52.304   0.0000   0.0000   10.308   2.6110  ?   ?       ?      ? 
1 1 1  -17   55    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   55    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   55    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -17   55    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16    0    1 o  286.880   3.4733 80198.05  1932.69 81392.37  2759.68 79048.41  2707.55  288.975   4.9229  284.786   4.9010 -0.000000 0.000000 
1 1 1  -16    0    2 o   82.786   1.0524  6660.45  168.990  6648.27  239.644  6672.51  238.337   82.710   1.4937   82.862   1.4828 -0.000000 0.000000 
1 1 1  -16    0    3 o   30.649   0.9940  918.188   58.810  932.807   82.034  902.729   84.355   30.906   1.3735   30.392   1.4372 -0.000000 0.000000 
1 1 1  -16    0    4 o  192.258   1.7831 35925.90  665.152 35947.52  934.625 35903.71  946.828  192.319   2.5045  192.198   2.5388 -0.000000 0.000000 
1 1 1  -16    0    5 o   22.595   1.2929  514.045   54.717  571.517   73.754  443.689   81.603   24.105   1.5921   21.084   2.0375 -0.000000 0.000000 
1 1 1  -16    0    6 o  111.795   1.2995 12137.09  281.707 12472.60  405.682 11824.66  391.485  113.286   1.8459  110.304   1.8295 -0.000000 0.000000 
1 1 1  -16    0    7 o   41.779   0.8452  1696.16   68.251  1663.71   92.957  1734.11  100.529   41.349   1.1602   42.210   1.2293 -0.000000 0.000000 
1 1 1  -16    0    8 o  137.842   1.5079 18466.27  403.199 18957.57  574.167 17988.28  566.333  139.653   2.1191  136.031   2.1459 -0.000000 0.000000 
1 1 1  -16    0    9 o   22.147   1.2188  475.399   51.105  402.464   67.227  575.246   78.658   20.132   1.7507   24.161   1.6963 -0.000000 0.000000 
1 1 1  -16    0   10 o  121.427   1.3616 14330.13  320.446 14273.79  443.174 14391.87  463.892  121.180   1.8850  121.673   1.9652 -0.000000 0.000000 
1 1 1  -16    0   11 o   93.316   1.1392  8461.65  206.160  8736.23  294.075  8196.29  289.096   94.807   1.5989   91.825   1.6230 -0.000000 0.000000 
1 1 1  -16    0   12 o   58.066   3.5196  3054.87  124.493  3038.25  126.094  3696.83  783.629   55.904   1.1631   60.228   6.9423 -0.000000 0.000000 
1 1 1  -16    0   13 o   58.631   3.2488  3383.85  136.128  3381.44  138.776  3445.22  700.179   58.977   1.2133   58.285   6.3833 -0.000000 0.000000 
1 1 1  -16    0   14 o   24.192   5.9322  713.933   72.592  714.651   72.974  645.962  710.181   27.019   1.3999   21.365   11.781 -0.000000 0.000000 
1 1 1  -16    0   15 o   61.028   3.8061  4179.80  159.306  4219.66  162.759  3270.34  777.421   65.883   1.2737   56.174   7.5049 -0.000000 0.000000 
1 1 1  -16    0   16 o   30.381   5.9002  1729.12   95.812  1746.20   96.324  134.161  930.693   42.358   1.1735   18.404   11.742 -0.000000 0.000000 
1 1 1  -16    0   17 o   40.519   6.6235  1726.36   96.972  1723.39   97.549  1975.44  893.259   42.077   1.1965   38.962   13.193 -0.000000 0.000000 
1 1 1  -16    0   18 o  104.060   3.0637 10177.89  329.155 10095.50  342.200 11197.08  1203.61  101.885   1.7314  106.235   5.8776 -0.000000 0.000000 
1 1 1  -16    0   19 o   95.783   3.5367  9495.13  321.640  9562.68  333.546  8599.28  1214.68   99.146   1.7343   92.420   6.8574 -0.000000 0.000000 
1 1 1  -16    0   20 o   21.475   6.3775  441.265   81.108  439.031   81.481  684.119  849.471   20.953   2.0482   21.997   12.589 -0.000000 0.000000 
1 1 1  -16    0   21 o   40.158   7.9676  1973.17  108.699  1973.41  109.175  1946.04  1165.40   45.019   1.2515   35.297   15.886 -0.000000 0.000000 
1 1 1  -16    0   22 o   36.956   7.8748  2182.95  120.428  2191.37  120.877  1055.16  1398.27   47.436   1.3150   26.477   15.695 -0.000000 0.000000 
1 1 1  -16    0   23 o   17.189   5.5502  345.775   87.645  350.991   87.991 -313.5484  989.315   18.444   2.6078   15.934   10.790 -0.000000 0.000000 
1 1 1  -16    0   24 o   13.877   7.3024 -18.8505   70.477 -21.5555   70.589  827.945  1248.96   4.4915   2.9922   23.262   14.295 -0.000000 0.000000 
1 1 1  -16    0   25 o   74.505   5.7911  5541.31  159.232  5531.62  160.105  6421.75  1526.70   75.410   1.0943   73.601   11.530 -0.000000 0.000000 
1 1 1  -16    0   26 o   20.286   3.2413  434.702  117.872  434.702  117.872   0.0000   0.0000   20.286   3.2413   20.286   3.2413 -0.000000 0.000000 
1 1 1  -16    0   27 o   22.870   3.0770  544.241  129.649  544.241  129.649   0.0000   0.0000   22.870   3.0770   22.870   3.0770 -0.000000 0.000000 
1 1 1  -16    0   28 o   24.418   2.9472  617.383  134.296  617.383  134.296   0.0000   0.0000   24.418   2.9472   24.418   2.9472 -0.000000 0.000000 
1 1 1  -16    0   29 o   14.667   5.0477  286.217  129.305  286.217  129.305   0.0000   0.0000   14.667   5.0477   14.667   5.0477 -0.000000 0.000000 
1 1 1  -16    0   30 o   7.2782   4.5756   44.034  135.482   44.034  135.482   0.0000   0.0000   7.2782   4.5756   7.2782   4.5756 -0.000000 0.000000 
1 1 1  -16    0   31 o   7.6905   4.6783   73.324  130.740   73.324  130.740   0.0000   0.0000   7.6905   4.6783   7.6905   4.6783 -0.000000 0.000000 
1 1 1  -16    1    1 o  114.156   0.9278 12654.28  205.599 12674.84  291.919 12634.05  289.616  114.248   1.3163  114.065   1.3080 0.1836472 1.855654 
1 1 1  -16    1    2 o  173.869   1.1942 29364.47  403.022 29695.87  570.184 29033.60  569.736  174.850   1.6799  172.888   1.6976 1.962097 2.388314 
1 1 1  -16    1    3 o  137.572   1.0354 18375.00  276.451 18165.49  385.930 18595.79  396.193  136.768   1.4537  138.377   1.4750 -1.609192 2.070894 
1 1 1  -16    1    4 f   60.931   0.6272  3604.19   74.178  3601.10  105.286  3607.22  104.524   60.905   0.8905   60.957   0.8833 -0.5181122E-01 1.254331 
1 1 1  -16    1    5 o   69.848   0.6662  4736.38   90.331  4692.47  127.567  4780.53  127.928   69.523   0.9452   70.172   0.9391 -0.6494217 1.332476 
1 1 1  -16    1    6 o   70.492   0.6625  4824.28   90.659  4847.09  127.976  4801.31  128.447   70.659   0.9330   70.324   0.9409 0.3346252 1.325099 
1 1 1  -16    1    7 o  134.820   1.0403 17653.90  272.240 17484.47  383.925 17825.26  386.094  134.170   1.4741  135.471   1.4682 -1.301620 2.080512 
1 1 1  -16    1    8 o   80.871   0.7197  6349.10  112.976  6247.59  158.613  6453.64  160.957   80.215   1.0186   81.527   1.0170 -1.312096 1.439439 
1 1 1  -16    1    9 o   48.741   0.5759  2306.22   54.480  2319.53   77.776  2293.39   76.337   48.879   0.8197   48.603   0.8091 0.2760201 1.151767 
1 1 1  -16    1   10 o   82.019   0.7278  6531.95  115.864  6512.33  163.136  6551.92  164.586   81.894   1.0262   82.143   1.0322 -0.2483749 1.455503 
1 1 1  -16    1   11 o  108.247   0.8809 11380.26  185.091 11427.58  262.717 11333.62  260.811  108.470   1.2477  108.024   1.2438 0.4466171 1.761740 
1 1 1  -16    1   12 o   96.213   1.1156  8995.40  208.346  8991.02  293.460  8999.86  295.848   96.190   1.5716   96.236   1.5837 -0.4644775E-01 2.231154 
1 1 1  -16    1   13 o   90.407   1.0498  7940.95  184.231  8024.22  261.975  7859.48  259.132   90.876   1.4851   89.938   1.4843 0.9376297 2.099631 
1 1 1  -16    1   14 o   35.722   0.8200  1238.59   56.813  1313.44   81.454  1167.68   79.282   36.773   1.1411   34.672   1.1780 2.101196 1.640031 
1 1 1  -16    1   15 o   62.015   0.8552  3735.56  102.941  3780.79  146.696  3691.68  144.491   62.385   1.2114   61.645   1.2075 0.7394295 1.710372 
1 1 1  -16    1   16 o   19.515   1.3060  373.587   49.023  420.651   68.234  323.378   70.478   20.799   1.6900   18.230   1.9916 2.569176 2.611996 
1 1 1  -16    1   17 o   32.602   0.9241  1031.10   58.429  1073.02   84.935  993.438   80.506   33.229   1.3167   31.974   1.2971 1.255339 1.848294 
1 1 1  -16    1   18 o   27.389   1.1214  728.851   59.550  780.942   85.493  679.758   82.995   28.339   1.5541   26.438   1.6172 1.901598 2.242876 
1 1 1  -16    1   19 o   77.932   1.0100  5906.36  152.688  5887.75  219.833  5923.71  212.234   77.811   1.4554   78.053   1.4007 -0.2427979 2.019986 
1 1 1  -16    1   20 o   30.552   1.0565  912.279   62.320  814.425   89.002  1006.40   87.290   28.933   1.5847   32.171   1.3978 -3.238298 2.113052 
1 1 1  -16    1   21 o   43.154   0.8875  1811.49   74.244  1691.97  104.469  1933.45  105.534   41.713   1.2902   44.595   1.2191 -2.881844 1.775031 
1 1 1  -16    1   22 o   34.460   1.0593  1159.82   70.541  1105.52  103.325  1207.22   96.541   33.697   1.5796   35.224   1.4119 -1.526909 2.118657 
1 1 1  -16    1   23 o   18.061   1.8021  319.221   63.105  331.448   91.980  308.347   86.739   18.385   2.5774   17.736   2.5193 0.6482067 3.604114 
1 1 1  -16    1   24 o   43.739   0.7302  1859.91   61.971  1823.42   86.248  1898.86   89.102   43.296   1.0262   44.181   1.0389 -0.8854141 1.460302 
1 1 1  -16    1   25 o   17.301   1.5419  299.062   50.756  236.639   72.912  357.752   70.698   15.495   2.4241   19.107   1.9061 -3.612695 3.083736 
1 1 1  -16    1   26 o   13.500   2.9579  188.601   85.820  167.878  126.113  206.474  117.122   12.967   4.2979   14.032   4.0651 -1.064775 5.915764 
1 1 1  -16    1   27 o   10.599   2.8785   81.794   83.490  123.519  125.885   49.027  111.556   11.659   4.2644   9.5395   3.8675 2.119831 5.756932 
1 1 1  -16    1   28 o   12.626   2.9914  166.607   85.847  178.473  129.753  157.370  114.487   12.983   4.3607   12.269   4.0962 0.7135534 5.982847 
1 1 1  -16    1   29 o   21.910   2.1832  492.266   92.320  533.387  139.965  460.599  122.827   22.673   3.1801   21.148   2.9920 1.525211 4.366379 
1 1 1  -16    1   30 o   34.189   1.6444  1203.38  107.408  1037.78  158.385  1344.37  146.148   31.817   2.5644   36.560   2.0593 -4.743164 3.288898 
1 1 1  -16    1   31 o   16.958   2.9625  340.890   97.611  290.247  137.617  392.164  138.471   15.522   4.3777   18.394   3.9926 -2.872227 5.924985 
1 1 1  -16    2    1 o  118.443   0.9443 13624.48  217.075 13701.72  304.413 13544.57  309.634  118.786   1.3202  118.101   1.3506 0.6844788 1.888654 
1 1 1  -16    2    2 o  165.661   1.1879 26656.34  381.992 26362.33  539.141 26952.71  541.302  164.743   1.6859  166.578   1.6740 -1.835388 2.375822 
1 1 1  -16    2    3 o   68.074   0.9205  4499.94  121.627  4495.00  173.291  4504.73  170.750   68.037   1.3121   68.111   1.2914 -0.7411194E-01 1.841042 
1 1 1  -16    2    4 o  147.046   1.0798 20998.48  308.217 21188.63  438.227 20812.33  433.579  147.705   1.5284  146.388   1.5258 1.317307 2.159655 
1 1 1  -16    2    5 o  187.432   1.2541 34128.71  456.275 34245.89  644.080 34010.67  646.466  187.756   1.7672  187.109   1.7799 0.6470947 2.508153 
1 1 1  -16    2    6 o   36.867   0.6195  1319.57   44.333  1311.00   62.782  1328.08   62.611   36.748   0.8801   36.987   0.8720 -0.2387581 1.238974 
1 1 1  -16    2    7 o   81.066   0.7192  6380.05  113.157  6210.84  159.224  6552.73  160.844   79.980   1.0256   82.152   1.0086 -2.172325 1.438418 
1 1 1  -16    2    8 o   34.125   0.8737  1132.31   57.713  1109.89   84.360  1152.04   79.128   33.806   1.2855   34.443   1.1835 -0.6374016 1.747336 
1 1 1  -16    2    9 o   81.898   0.7206  6511.36  114.552  6621.65  163.405  6404.77  160.633   82.580   1.0194   81.217   1.0189 1.363655 1.441249 
1 1 1  -16    2   10 o   63.522   0.6327  3917.53   78.015  3941.05  110.822  3894.42  109.843   63.711   0.8961   63.333   0.8935 0.3780022 1.265401 
1 1 1  -16    2   11 o   61.696   0.6165  3695.22   73.826  3661.74  103.652  3729.69  105.175   61.412   0.8695   61.979   0.8742 -0.5670471 1.232957 
1 1 1  -16    2   12 o   77.470   0.9343  5829.99  140.494  5915.71  199.014  5744.82  198.364   78.038   1.3138   76.902   1.3288 1.136169 1.868600 
1 1 1  -16    2   13 o   99.598   1.1270  9640.08  217.890  9624.32  307.860  9655.89  308.427   99.517   1.5936   99.680   1.5940 -0.1630630 2.253981 
1 1 1  -16    2   14 f   53.354   0.8099  2765.00   83.874  2755.50  118.928  2774.41  118.307   53.262   1.1503   53.445   1.1403 -0.1828537 1.619724 
1 1 1  -16    2   15 o   71.059   0.9317  4905.58  128.495  4927.60  183.654  4884.45  179.844   71.214   1.3285   70.903   1.3067 0.3112259 1.863427 
1 1 1  -16    2   16 o   18.696   1.3807  344.052   49.386  280.595   70.484  405.252   69.219   16.978   2.1386   20.414   1.7468 -3.435638 2.761337 
1 1 1  -16    2   17 o   67.992   0.9217  4490.95  121.601  4535.27  174.781  4449.37  169.290   68.316   1.3180   67.668   1.2888 0.6482620 1.843384 
1 1 1  -16    2   18 o   72.268   0.9585  5074.12  134.421  5151.31  193.113  5001.58  187.224   72.800   1.3665   71.736   1.3445 1.064156 1.917045 
1 1 1  -16    2   19 o  108.119   1.2375 11377.64  259.730 11405.36  368.346 11350.22  366.291  108.250   1.7529  107.989   1.7474 0.2610474 2.475077 
1 1 1  -16    2   20 f   19.117   1.5391  357.649   56.363  433.642   81.068  286.543   78.417   21.098   1.9795   17.137   2.3573 3.961081 3.078200 
1 1 1  -16    2   21 o   42.057   0.9090  1718.83   74.056  1737.00  108.555  1703.02  101.284   42.263   1.3232   41.852   1.2467 0.4108734 1.817992 
1 1 1  -16    2   22 o   86.006   1.0917  7200.81  182.229  7033.04  256.828  7370.92  258.603   84.995   1.5566   87.017   1.5310 -2.022034 2.183319 
1 1 1  -16    2   23 o   19.889   1.4464  385.558   52.981  389.319   90.755  383.614   65.255   19.942   2.3444   19.836   1.6947 0.1061935 2.892789 
1 1 1  -16    2   24 o   15.755   1.9395  273.255   53.969  161.528   83.927  352.031   70.472   12.538   3.3741   18.972   1.9136 -6.434175 3.878981 
1 1 1  -16    2   25 o   69.042   0.7556  4639.36  101.201  4401.31  141.839  4886.21  144.438   67.235   1.0868   70.849   1.0502 -3.614227 1.511300 
1 1 1  -16    2   26 o   42.205   1.2539  1746.20  102.595  1758.47  149.210  1735.19  141.297   42.335   1.8157   42.075   1.7300 0.2602539 2.507897 
1 1 1  -16    2   27 o   11.384   2.8239  117.154   81.142   49.609  117.354  179.022  112.315   9.7229   3.9575   13.044   4.0294 -3.321554 5.647800 
1 1 1  -16    2   28 o   11.681   2.8413  120.321   82.866  219.219  123.974   40.451  111.410   14.117   4.2076   9.2436   3.8194 4.873898 5.682604 
1 1 1  -16    2   29 o   39.052   1.3530  1523.85  102.066  1382.72  146.290  1657.71  142.473   37.225   2.0245   40.878   1.7954 -3.653141 2.705937 
1 1 1  -16    2   30 o   20.288   2.5512  449.273   96.568  580.362  140.808  332.868  132.688   23.513   3.0850   17.062   4.0642 6.450230 5.102465 
1 1 1  -16    2   31 f   10.394   2.9960   50.854  101.884  179.276  150.674 -57.3301  138.292   12.592   4.6556   8.1957   3.7722 4.396401 5.991975 
1 1 1  -16    3    1 o  201.577   1.3140 39474.20  514.157 39907.60  730.347 39048.36  723.952  202.674   1.8564  200.480   1.8603 2.194138 2.628059 
1 1 1  -16    3    2 o   52.668   0.7448  2743.03   71.889  2853.38   89.127  2537.57  121.616   54.215   0.8469   51.121   1.2255 3.093693 1.489680 
1 1 1  -16    3    3 o  198.712   1.3072 38361.98  504.199 38730.91  712.905 37992.77  713.185  199.669   1.8393  197.755   1.8578 1.913666 2.614320 
1 1 1  -16    3    4 o   55.314   0.7135  2940.72   73.205  2872.29   90.474  3070.44  124.575   54.394   0.8569   56.235   1.1412 -1.840488 1.427067 
1 1 1  -16    3    5 o   88.328   0.7692  7572.74  131.865  7416.14  184.737  7735.42  188.285   87.397   1.0889   89.259   1.0867 -1.861542 1.538372 
1 1 1  -16    3    6 o   55.516   0.6036  2990.69   65.028  3042.08   93.395  2942.34   90.595   55.978   0.8595   55.053   0.8477 0.9251442 1.207214 
1 1 1  -16    3    7 o   52.292   0.5943  2653.48   60.312  2702.93   86.526  2606.75   84.114   52.765   0.8448   51.818   0.8362 0.9471016 1.188649 
1 1 1  -16    3    8 o  186.714   1.2602 33876.45  456.757 34075.02  646.245 33678.24  645.661  187.262   1.7778  186.167   1.7866 1.094543 2.520445 
1 1 1  -16    3    9 o   89.511   0.7730  7779.31  134.297  7850.84  191.386  7709.93  188.496   89.916   1.0965   89.105   1.0898 0.8103333 1.545931 
1 1 1  -16    3   10 o  135.826   1.0531 17922.51  277.666 17796.94  391.755 18049.27  393.610  135.348   1.4911  136.304   1.4876 -0.9564209 2.106257 
1 1 1  -16    3   11 o   64.609   0.6249  4052.84   78.371  4021.11  110.635  4084.79  111.033   64.355   0.8856   64.862   0.8819 -0.5076599 1.249794 
1 1 1  -16    3   12 o   54.919   0.8140  2929.43   86.777  2964.44  122.598  2894.27  122.845   55.248   1.1431   54.590   1.1593 0.6583061 1.628084 
1 1 1  -16    3   13 o   77.552   0.9525  5842.98  143.339  5826.67  205.303  5858.49  200.217   77.445   1.3656   77.658   1.3282 -0.2131271 1.904987 
1 1 1  -16    3   14 o   59.602   0.8484  3450.71   98.156  3409.42  138.623  3492.23  139.005   59.244   1.2054   59.959   1.1943 -0.7155495 1.696849 
1 1 1  -16    3   15 o   9.4530   2.1165   80.296   47.158   26.361   68.243  129.592   65.242   7.5892   3.0430   11.317   2.9425 -3.727550 4.232972 
1 1 1  -16    3   16 o   35.630   0.8768  1225.09   60.249  1303.56   91.564  1165.18   80.009   36.628   1.2878   34.632   1.1901 1.995941 1.753505 
1 1 1  -16    3   17 o   83.494   1.0238  6776.41  165.919  6654.77  234.419  6898.52  234.870   82.742   1.4595   84.246   1.4362 -1.503693 2.047634 
1 1 1  -16    3   18 o   71.263   0.9564  4934.76  132.249  4976.46  190.191  4895.72  184.018   71.553   1.3693   70.973   1.3357 0.5803223 1.912854 
1 1 1  -16    3   19 o   26.153   1.2111  681.367   60.026  561.784   89.725  778.245   80.759   24.018   1.9245   28.288   1.4707 -4.270916 2.422116 
1 1 1  -16    3   20 o   23.700   1.2635  550.625   57.693  506.011   84.688  589.261   78.809   22.793   1.9141   24.607   1.6499 -1.814735 2.526993 
1 1 1  -16    3   21 o   99.793   1.2244  9695.80  237.132  9793.63  339.634  9602.76  331.234  100.281   1.7447   99.304   1.7183 0.9769745 2.448814 
1 1 1  -16    3   22 o   38.752   1.0020  1463.55   74.933  1439.00  111.678  1483.65  101.059   38.450   1.4962   39.054   1.3330 -0.6033249 2.003936 
1 1 1  -16    3   23 o   25.347   1.1501  605.046   54.459  702.740   92.998  554.062   67.183   26.840   1.7849   23.853   1.4510 2.987522 2.300279 
1 1 1  -16    3   24 o   36.521   0.8996  1309.33   62.119  1251.53   98.655  1347.29   79.960   35.833   1.4183   37.209   1.1070 -1.376411 1.799209 
1 1 1  -16    3   25 o   35.513   0.8422  1238.24   57.589  1124.79   84.377  1337.18   78.797   33.968   1.2796   37.058   1.0954 -3.090122 1.684437 
1 1 1  -16    3   26 o   22.480   1.9492  500.001   84.770  560.430  124.877  448.356  115.444   23.742   2.7096   21.218   2.8029 2.523880 3.898493 
1 1 1  -16    3   27 o   23.802   1.8130  580.110   81.497  451.939  119.220  692.537  111.658   21.176   2.9002   26.428   2.1765 -5.251646 3.626094 
1 1 1  -16    3   28 o   34.073   1.3854  1148.17   91.403  1267.49  133.791  1043.73  125.166   35.739   1.9285   32.408   1.9896 3.330570 2.770875 
1 1 1  -16    3   29 o   12.764   2.9682  175.258   86.082  209.656  121.518  140.609  121.961   13.734   4.1822   11.794   4.2130 1.939433 5.936363 
1 1 1  -16    3   30 o   10.392   2.9834   79.096   94.165   66.502  134.623   91.160  131.764   10.173   4.2005   10.612   4.2378 -0.4390802 5.966815 
1 1 1  -16    3   31 o   27.499   2.0520  792.895  109.133  710.913  148.098  890.310  161.437   25.922   2.9432   29.076   2.8603 -3.153664 4.104094 
1 1 1  -16    4    1 o   94.692   0.8092  8698.15  148.669  8469.47  206.120  8946.11  214.638   93.396   1.1369   95.988   1.1519 -2.591576 1.618489 
1 1 1  -16    4    2 o  129.986   1.0008 16410.19  252.492 16507.67  354.611 16309.94  359.596  130.378   1.4011  129.594   1.4294 0.7846527 2.001621 
1 1 1  -16    4    3 o  117.890   0.9354 13494.67  214.054 13671.53  304.221 13321.26  301.237  118.655   1.3208  117.125   1.3249 1.530037 1.870822 
1 1 1  -16    4    4 o   24.550   0.8172  585.209   38.944  594.526   55.208  575.982   54.944   24.745   1.1493   24.356   1.1621 0.3890667 1.634476 
1 1 1  -16    4    5 o   47.841   0.5882  2221.80   54.628  2230.80   77.591  2212.96   76.924   47.937   0.8338   47.745   0.8300 0.1919937 1.176499 
1 1 1  -16    4    6 o  236.268   1.4462 54248.54  663.246 54544.97  943.570 53959.05  932.473  236.904   2.0518  235.630   2.0386 1.273865 2.892390 
1 1 1  -16    4    7 o  155.413   1.1263 23462.31  339.772 23300.81  479.120 23625.69  481.912  154.875   1.5937  155.951   1.5919 -1.076096 2.252537 
1 1 1  -16    4    8 o   62.888   0.6306  3839.83   76.978  3833.58  109.450  3845.94  108.286   62.838   0.8973   62.939   0.8863 -0.1014023 1.261220 
1 1 1  -16    4    9 o  127.791   0.9925 15862.98  246.212 15838.59  347.979 15887.43  348.413  127.693   1.4038  127.890   1.4034 -0.1967850 1.985051 
1 1 1  -16    4   10 o  138.349   1.0704 18590.77  287.400 18398.89  401.049 18793.33  412.066  137.617   1.5013  139.081   1.5263 -1.465057 2.140876 
1 1 1  -16    4   11 f   15.437   1.1349  232.897   33.783  260.322   47.364  204.496   48.200   16.369   1.4906   14.506   1.7118 1.863233 2.269809 
1 1 1  -16    4   12 o   25.013   1.0429  606.789   50.587  633.535   73.577  582.813   69.664   25.535   1.4844   24.492   1.4653 1.043171 2.085759 
1 1 1  -16    4   13 o  120.308   1.2628 14069.20  294.857 14131.46  421.672 14009.62  412.463  120.567   1.8017  120.049   1.7699 0.5175095 2.525633 
1 1 1  -16    4   14 o   60.938   0.8580  3607.79  101.400  3595.03  146.456  3619.53  140.531   60.833   1.2402   61.042   1.1860 -0.2093315 1.716013 
1 1 1  -16    4   15 o   64.336   0.8737  4021.11  109.114  4021.14  154.854  4021.07  153.774   64.336   1.2399   64.336   1.2313 0.9155273E-04 1.747452 
1 1 1  -16    4   16 o   56.438   0.8535  3098.06   93.384  3006.58  134.306  3183.67  129.932   55.629   1.2437   57.247   1.1692 -1.618156 1.707031 
1 1 1  -16    4   17 o   14.523   1.8124  205.811   49.710  242.497   75.614  177.888   65.969   15.773   2.4696   13.273   2.6532 2.500093 3.624739 
1 1 1  -16    4   18 o   52.690   0.8590  2696.71   87.723  2715.06  127.790  2680.35  120.638   52.858   1.2454   52.522   1.1832 0.3359184 1.717901 
1 1 1  -16    4   19 o  117.796   1.3114 13510.36  299.853 13597.05  425.102 13424.51  423.019  118.172   1.8532  117.420   1.8559 0.7527084 2.622702 
1 1 1  -16    4   20 o   58.111   0.8994  3284.27  101.408  3213.27  144.580  3353.03  142.273   57.491   1.2955   58.731   1.2479 -1.240425 1.798797 
1 1 1  -16    4   21 o   54.237   0.9004  2862.23   94.632  2826.88  137.560  2893.99  130.387   53.916   1.3143   54.559   1.2311 -0.6426697 1.800885 
1 1 1  -16    4   22 o   81.319   1.0727  6443.39  168.973  6332.14  245.933  6542.87  232.557   80.645   1.5710   81.993   1.4611 -1.348198 2.145427 
1 1 1  -16    4   23 f   15.758   1.8181  221.613   51.684  350.133   91.813  161.995   62.533   18.898   2.5028   12.619   2.6378 6.279566 3.636175 
1 1 1  -16    4   24 o   51.696   0.8384  2634.17   81.033  2475.76  131.784  2730.47  102.754   50.408   1.3468   52.983   0.9991 -2.575413 1.676890 
1 1 1  -16    4   25 o   57.868   0.7156  3261.39   80.311  3197.51  115.319  3321.55  111.911   57.314   1.0365   58.423   0.9868 -1.109051 1.431129 
1 1 1  -16    4   26 o   37.463   1.2925  1375.50   93.473  1395.61  140.198  1359.40  125.414   37.689   1.9163   37.237   1.7350 0.4514236 2.585068 
1 1 1  -16    4   27 o   12.731   2.8059  171.193   78.052  130.375  118.675  202.309  103.615   11.701   4.1584   13.761   3.7683 -2.059311 5.611814 
1 1 1  -16    4   28 f   43.184   1.2274  1846.95  102.645  1767.84  148.213  1919.87  142.291   42.261   1.8067   44.106   1.6619 -1.845737 2.454812 
1 1 1  -16    4   29 f   25.270   2.0010  666.889   94.043  455.015  132.034  885.061  133.982   20.896   3.2551   29.644   2.3283 -8.748018 4.002090 
1 1 1  -16    4   30 o   30.288   1.7549  937.787  103.092  939.088  148.817  936.586  142.949   30.277   2.5321   30.299   2.4304 -0.2232552E-01 3.509737 
1 1 1  -16    4   31 o   9.5084   2.8976 -15.3203  103.422 -135.7700  138.673  135.647  155.249   7.3292   3.4972   11.688   4.6212 -4.358298 5.795280 
1 1 1  -16    5    1 o  136.268   1.0374 18034.55  274.405 17930.26  388.007 18138.92  388.127  135.874   1.4711  136.663   1.4630 -0.7887878 2.074751 
1 1 1  -16    5    2 o  151.570   1.1311 22313.13  332.771 22620.84  472.293 22009.77  468.943  152.608   1.5943  150.532   1.6048 2.076111 2.262125 
1 1 1  -16    5    3 o   64.569   0.6430  4047.27   80.590  4013.08  113.429  4082.13  114.521   64.294   0.9088   64.845   0.9098 -0.5506973 1.285976 
1 1 1  -16    5    4 o   92.268   0.7926  8265.75  141.956  8344.74  201.391  8187.74  200.126   92.706   1.1191   91.830   1.1227 0.8763885 1.585167 
1 1 1  -16    5    5 o  135.030   1.0465 17708.72  274.299 17731.94  386.554 17685.16  389.296  135.120   1.4738  134.941   1.4862 0.1790924 2.093013 
1 1 1  -16    5    6 o   78.833   0.7094  6033.06  108.551  5936.44  152.638  6131.92  154.407   78.194   1.0056   79.471   1.0009 -1.277145 1.418810 
1 1 1  -16    5    7 o   62.615   0.6367  3804.93   77.374  3896.13  110.647  3717.65  108.240   63.349   0.8998   61.881   0.9011 1.468067 1.273411 
1 1 1  -16    5    8 o  118.600   0.9343 13660.57  215.086 13762.60  305.613 13560.43  302.763  119.039   1.3226  118.161   1.3200 0.8774185 1.868557 
1 1 1  -16    5    9 o   38.931   0.6151  1471.39   46.482  1452.00   65.393  1491.19   66.084   38.672   0.8711   39.191   0.8687 -0.5184746 1.230197 
1 1 1  -16    5   10 o   60.764   0.6205  3583.94   73.177  3506.69  102.592  3663.96  104.409   60.098   0.8794   61.431   0.8756 -1.333012 1.240950 
1 1 1  -16    5   11 o   30.805   0.6491  922.534   38.744  859.638   54.825  985.276   54.758   29.754   0.9492   31.856   0.8855 -2.101053 1.298133 
1 1 1  -16    5   12 o   89.901   1.0321  7853.51  180.100  7761.17  255.555  7944.62  253.852   89.375   1.4730   90.427   1.4462 -1.051826 2.064252 
1 1 1  -16    5   13 o   95.571   1.0947  8863.49  202.930  9203.39  294.021  8554.27  280.433   97.318   1.5564   93.825   1.5397 3.493477 2.189328 
1 1 1  -16    5   14 o   34.549   0.8570  1149.63   57.069  1240.25   87.130  1081.55   75.525   35.730   1.2562   33.368   1.1660 2.362148 1.713941 
1 1 1  -16    5   15 o   98.308   1.1398  9394.65  217.492  9240.97  306.355  9550.81  308.819   97.497   1.6187   99.120   1.6050 -1.622353 2.279537 
1 1 1  -16    5   16 o  110.321   1.2395 11837.46  265.393 11564.92  375.050 12110.80  375.596  109.047   1.7718  111.595   1.7338 -2.548714 2.479003 
1 1 1  -16    5   17 o   18.813   1.4624  335.675   52.056  462.628   80.349  243.845   68.337   21.804   1.8983   15.823   2.2249 5.981804 2.924703 
1 1 1  -16    5   18 o   86.440   1.0660  7263.67  178.838  7338.65  255.649  7191.80  250.268   86.876   1.5159   86.004   1.4991 0.8719101 2.131958 
1 1 1  -16    5   19 o   97.386   1.1886  9229.40  224.691  9179.76  317.571  9279.16  317.950   97.124   1.6844   97.649   1.6774 -0.5255051 2.377143 
1 1 1  -16    5   20 o   71.021   0.9600  4903.95  132.305  4929.42  189.831  4879.89  184.498   71.199   1.3735   70.843   1.3416 0.3555527 1.920015 
1 1 1  -16    5   21 o   40.394   0.9453  1585.72   73.133  1593.81  113.186  1579.92   95.821   40.476   1.4405   40.312   1.2245 0.1637650 1.890652 
1 1 1  -16    5   22 o   51.975   0.8342  2621.68   78.225  2640.18  139.468  2613.19   94.487   52.092   1.3792   51.859   0.9386 0.2331886 1.668316 
1 1 1  -16    5   23 o   54.138   0.8168  2855.72   81.023  2836.40  139.747  2865.51   99.443   53.980   1.3337   54.296   0.9435 -0.3157539 1.633656 
1 1 1  -16    5   24 o   38.459   0.9440  1466.90   66.187  1363.71  113.226  1520.47   81.576   37.386   1.5602   39.532   1.0630 -2.145515 1.887902 
1 1 1  -16    5   25 o   42.396   0.7348  1753.57   60.244  1700.90   88.368  1799.30   82.346   41.794   1.0892   42.999   0.9866 -1.204372 1.469588 
1 1 1  -16    5   26 o   44.824   0.9772  2024.77   78.692  2141.10   96.346  1791.66  136.385   46.879   1.0587   42.769   1.6427 4.109520 1.954358 
1 1 1  -16    5   27 o   31.204   1.4454  936.748   86.289  1179.49  135.059  769.313  112.168   34.533   2.0148   27.874   2.0730 6.658978 2.890783 
1 1 1  -16    5   28 o   15.953   2.7031  271.585   84.677  390.264  127.173  177.064  113.494   19.077   3.5653   12.829   4.0639 6.247144 5.406163 
1 1 1  -16    5   29 o   11.066   3.0359  100.603   93.553  139.398  138.779   68.288  126.660   11.970   4.4596   10.162   4.1206 1.808087 6.071875 
1 1 1  -16    5   30 o   13.806   3.2261  221.126  100.333  212.191  151.444  228.117  133.946   13.595   4.7078   14.016   4.4121 -0.4202662 6.452104 
1 1 1  -16    5   31 o   15.862   3.1718  298.516  105.128  202.874  140.953  418.414  157.818   13.094   4.5414   18.629   4.4291 -5.534763 6.343564 
1 1 1  -16    6    1 o   66.386   0.6473  4276.17   83.386  4395.98  119.565  4162.71  116.352   67.291   0.9153   65.481   0.9154 1.809677 1.294504 
1 1 1  -16    6    2 o  115.857   0.9176 13030.96  206.297 12895.66  287.743 13174.07  295.926  115.239   1.2863  116.475   1.3088 -1.236320 1.835106 
1 1 1  -16    6    3 o  234.965   1.4292 53644.11  651.765 53375.26  912.631 53923.96  931.116  234.366   2.0060  235.564   2.0362 -1.197342 2.858393 
1 1 1  -16    6    4 o   80.590   0.7201  6305.79  112.650  6319.79  158.918  6291.65  159.707   80.680   1.0147   80.500   1.0220 0.1800385 1.440194 
1 1 1  -16    6    5 o   24.054   0.9998  550.360   43.616  594.032   78.275  530.694   52.526   24.729   1.6306   23.378   1.1574 1.350677 1.999641 
1 1 1  -16    6    6 o  142.813   1.0630 19811.16  294.681 19959.01  416.352 19662.76  417.132  143.348   1.4963  142.279   1.5103 1.068832 2.125989 
1 1 1  -16    6    7 o  264.429   1.5436 67982.79  792.307 68120.92  1118.78 67843.82  1122.21  264.700   2.1773  264.159   2.1885 0.5412292 3.087114 
1 1 1  -16    6    8 o   31.309   3.7703  1204.63   60.662  1214.69   61.343  759.441  408.230   35.371   0.8934   27.246   7.4874 8.124626 7.540504 
1 1 1  -16    6    9 o  172.331   1.2187 28860.54  407.690 28809.15  578.581 28911.22  574.560  172.178   1.7311  172.485   1.7160 -0.3065796 2.437497 
1 1 1  -16    6   10 o   96.708   0.8299  9082.03  155.795  9212.16  221.363  8954.30  219.307   97.395   1.1709   96.022   1.1766 1.373070 1.659888 
1 1 1  -16    6   11 o   30.625   0.6362  910.515   37.815  937.922   53.809  883.772   53.154   31.080   0.8919   30.170   0.9076 0.9107208 1.272484 
1 1 1  -16    6   12 o  100.834   1.1447  9881.39  224.044  9698.17  316.344 10065.79  317.352   99.895   1.6314  101.773   1.6064 -1.877693 2.289485 
1 1 1  -16    6   13 o   68.155   0.8875  4509.27  117.374  4625.93  168.650  4399.68  163.457   69.009   1.2590   67.301   1.2512 1.708427 1.774942 
1 1 1  -16    6   14 o   59.826   0.8603  3479.58   99.814  3401.10  143.294  3553.56  139.116   59.169   1.2476   60.483   1.1849 -1.314388 1.720600 
1 1 1  -16    6   15 o   50.989   0.8264  2529.80   81.316  2484.23  121.141  2567.17  109.705   50.568   1.2341   51.410   1.0993 -0.8421860 1.652709 
1 1 1  -16    6   16 o   25.624   1.0327  638.164   51.275  638.153   74.760  638.174   70.458   25.623   1.5031   25.625   1.4164 -0.2555847E-02 2.065308 
1 1 1  -16    6   17 o   42.262   0.8454  1735.18   68.820  1736.29  103.996  1734.31   91.794   42.271   1.2674   42.252   1.1192 0.1868057E-01 1.690802 
1 1 1  -16    6   18 o   37.340   0.9002  1355.86   64.340  1349.70   99.550  1360.28   84.317   37.263   1.3763   37.417   1.1609 -0.1538887 1.800475 
1 1 1  -16    6   19 o   65.921   0.9391  4226.07  120.117  4170.44  171.727  4279.36  168.072   65.494   1.3507   66.348   1.3050 -0.8534698 1.878158 
1 1 1  -16    6   20 o   38.705   0.9316  1465.56   69.564  1327.33  100.670  1591.88   96.235   36.943   1.4038   40.467   1.2251 -3.524178 1.863191 
1 1 1  -16    6   21 o   35.062   1.0375  1181.10   69.807  1292.01  108.949  1103.86   90.921   36.437   1.5403   33.688   1.3904 2.749168 2.075042 
1 1 1  -16    6   22 o   69.751   0.8912  4699.02  111.818  4819.10  201.354  4645.48  134.456   70.365   1.4741   69.138   1.0018 1.227066 1.782352 
1 1 1  -16    6   23 o   25.747   1.1920  645.946   55.493  648.058   98.423  644.961   67.192   25.756   1.9686   25.739   1.3448 0.1714706E-01 2.384078 
1 1 1  -16    6   24 o   80.049   0.9771  6235.67  142.900  6273.41  248.636  6217.06  174.622   80.174   1.5976   79.924   1.1255 0.2496033 1.954263 
1 1 1  -16    6   25 o   64.884   0.8575  4150.87  102.958  3939.56  171.835  4269.22  128.598   63.538   1.3932   66.229   1.0003 -2.691563 1.715094 
1 1 1  -16    6   26 o   9.6812   2.2252   95.384   53.354  138.532   61.346 -38.6073  108.105   11.571   2.7683   7.7914   3.4847 3.779506 4.450480 
1 1 1  -16    6   27 o   24.766   1.6868  607.422   80.655  703.627  119.021  525.732  109.676   26.589   2.3060   22.944   2.4626 3.645573 3.373685 
1 1 1  -16    6   28 o   23.986   1.8578  582.458   86.456  573.453  123.668  591.067  120.914   23.786   2.6784   24.187   2.5753 -0.4013100 3.715652 
1 1 1  -16    6   29 o   9.9010   2.8806   53.541   90.228   16.589  130.258   87.625  125.102   9.2663   3.9920   10.536   4.1538 -1.269346 5.761126 
1 1 1  -16    6   30 o   24.107   2.1144  603.859   98.378  700.122  145.496  522.779  133.529   25.921   2.8916   22.293   3.0857 3.627943 4.228793 
1 1 1  -16    6   31 o   11.092   3.1259  100.537  107.146  188.538  147.884   3.2939  155.455   12.744   4.6280   9.4392   4.2033 3.305101 6.251845 
1 1 1  -16    7    1 o  120.052   0.9484 13995.55  221.003 13867.96  310.963 14125.78  314.151  119.499   1.3405  120.605   1.3419 -1.105637 1.896748 
1 1 1  -16    7    2 o  109.903   0.8918 11729.30  190.259 11815.12  269.181 11643.63  268.953  110.305   1.2571  109.501   1.2653 0.8037720 1.783642 
1 1 1  -16    7    3 o  117.464   0.9393 13399.64  214.165 13357.28  304.164 13441.28  301.602  117.280   1.3360  117.649   1.3206 -0.3689651 1.878582 
1 1 1  -16    7    4 f  209.507   1.3600 42653.06  553.093 42919.86  780.698 42384.22  783.692  210.166   1.9136  208.848   1.9331 1.318024 2.720058 
1 1 1  -16    7    5 o   71.764   0.6670  4998.49   92.905  5103.85  132.738  4897.31  130.078   72.505   0.9431   71.023   0.9435 1.482216 1.334029 
1 1 1  -16    7    6 o   91.286   0.7893  8090.90  139.862  8011.78  196.810  8171.61  198.794   90.835   1.1162   91.737   1.1163 -0.9015732 1.578613 
1 1 1  -16    7    7 o   75.030   0.6934  5463.32  100.963  5333.98  140.988  5599.46  144.649   74.119   0.9799   75.941   0.9812 -1.822060 1.386736 
1 1 1  -16    7    8 o   65.485   0.6370  4163.56   80.968  4165.49  114.724  4161.64  114.289   65.501   0.9023   65.470   0.8993 0.3017426E-01 1.273901 
1 1 1  -16    7    9 o   69.896   0.6678  4742.21   90.592  4845.38  129.358  4642.91  126.909   70.642   0.9433   69.151   0.9454 1.491699 1.335557 
1 1 1  -16    7   10 o   93.658   0.7984  8518.54  145.146  8522.93  206.243  8514.22  204.305   93.682   1.1341   93.635   1.1240 0.4746246E-01 1.596766 
1 1 1  -16    7   11 o   33.885   0.6100  1112.34   40.073  1163.98   58.508  1066.70   54.999   34.624   0.8705   33.146   0.8548 1.478210 1.220017 
1 1 1  -16    7   12 o   76.476   0.9589  5682.52  142.334  5580.78  201.637  5783.58  200.946   75.793   1.3705   77.159   1.3416 -1.366318 1.917848 
1 1 1  -16    7   13 o   82.910   0.9992  6675.21  160.739  6789.60  231.568  6568.84  223.295   83.594   1.4270   82.226   1.3990 1.368530 1.998394 
1 1 1  -16    7   14 o  140.712   1.3873 19261.83  378.929 18979.04  534.517 19547.53  537.266  139.673   1.9714  141.752   1.9525 -2.079605 2.774691 
1 1 1  -16    7   15 o   42.468   0.8185  1750.72   67.078  1763.31  100.660  1740.67   89.964   42.604   1.2171   42.333   1.0948 0.2706337 1.637064 
1 1 1  -16    7   16 o   94.973   1.1116  8766.03  204.863  8871.43  294.213  8666.84  285.428   95.525   1.5866   94.420   1.5573 1.105011 2.223186 
1 1 1  -16    7   17 o   58.773   0.8608  3345.21   97.622  3453.88  147.273  3260.04  130.382   59.619   1.2725   57.927   1.1595 1.691338 1.721573 
1 1 1  -16    7   18 o   92.043   1.1136  8235.19  198.916  8442.32  285.060  8038.61  277.704   93.171   1.5761   90.916   1.5735 2.254677 2.227155 
1 1 1  -16    7   19 o   41.935   0.9005  1709.06   72.713  1712.36  110.102  1706.51   96.835   41.967   1.3515   41.903   1.1905 0.6373596E-01 1.801060 
1 1 1  -16    7   20 o   47.430   0.8728  2175.13   79.612  2270.97  122.293  2104.64  104.879   48.328   1.3036   46.533   1.1611 1.794823 1.745700 
1 1 1  -16    7   21 o   29.063   1.1775  817.963   64.619  841.151  104.951  803.806   82.007   29.383   1.8400   28.743   1.4698 0.6399212 2.354996 
1 1 1  -16    7   22 o   58.309   0.8607  3311.98   90.242  3291.38  161.356  3321.35  108.858   58.156   1.4293   58.463   0.9592 -0.3070641 1.721347 
1 1 1  -16    7   23 o   75.323   0.9217  5539.76  127.280  5471.44  218.925  5574.65  156.435   74.935   1.5050   75.712   1.0644 -0.7774582 1.843388 
1 1 1  -16    7   24 o   49.837   0.8770  2438.57   78.888  2364.72  139.178  2473.53   95.755   49.244   1.4560   50.429   0.9782 -1.184849 1.754038 
1 1 1  -16    7   25 o   18.991   1.5552  365.215   50.106  333.047   96.198  377.192   58.697   18.335   2.7029   19.647   1.5390 -1.312904 3.110363 
1 1 1  -16    7   26 o   30.793   1.1348  919.139   62.222  905.094   74.178  952.477  114.289   30.453   1.2548   31.132   1.8912 -0.6787586 2.269593 
1 1 1  -16    7   27 o   11.265   2.8830  115.963   80.922  136.169  120.111   99.167  109.506   11.854   4.1866   10.677   3.9647 1.176626 5.765965 
1 1 1  -16    7   28 o   51.860   1.1549  2653.71  116.258  2673.91  164.417  2633.52  164.409   52.061   1.6269   51.660   1.6395 0.4011612 2.309729 
1 1 1  -16    7   29 o   19.697   2.4902  408.435   91.597  550.406  138.615  298.390  122.037   23.024   3.1014   16.369   3.8968 6.655457 4.980325 
1 1 1  -16    7   30 o   12.744   3.1397  181.617   96.838  139.308  145.179  215.530  129.978   11.834   4.5271   13.655   4.3515 -1.820988 6.279321 
1 1 1  -16    7   31 o   12.692   3.2573  184.969  103.461  157.467  139.991  218.072  153.584   11.956   4.4742   13.428   4.7351 -1.471382 6.514551 
1 1 1  -16    8    1 o   82.491   0.7209  6609.72  115.386  6721.36  161.517  6493.36  164.897   83.203   1.0000   81.778   1.0387 1.424438 1.441895 
1 1 1  -16    8    2 o  198.799   1.3064 38401.14  504.152 38427.18  711.358 38374.86  714.611  198.867   1.8427  198.730   1.8524 0.1365814 2.612873 
1 1 1  -16    8    3 o   80.685   0.7274  6319.52  113.908  6268.73  159.153  6372.86  163.101   80.353   1.0204   81.017   1.0371 -0.6641769 1.454881 
1 1 1  -16    8    4 o   15.873   1.2202  245.292   37.503  263.017   52.745  227.169   53.333   16.454   1.6513   15.291   1.7968 1.163650 2.440378 
1 1 1  -16    8    5 o   41.675   0.5997  1686.58   48.473  1594.10   68.235  1780.79   68.872   40.521   0.8675   42.829   0.8284 -2.307545 1.199486 
1 1 1  -16    8    6 o   25.720   0.7683  642.006   38.309  648.443   55.756  636.250   52.724   25.842   1.1115   25.598   1.0611 0.2436085 1.536635 
1 1 1  -16    8    7 o   64.827   0.6407  4079.36   80.616  4127.95  115.199  4032.73  112.854   65.205   0.9101   64.449   0.9021 0.7562561 1.281426 
1 1 1  -16    8    8 o   75.166   0.6879  5485.83  100.364  5494.72  142.765  5477.15  141.122   75.226   0.9777   75.106   0.9680 0.1201096 1.375768 
1 1 1  -16    8    9 o   88.203   0.7655  7554.54  131.061  7481.75  184.975  7627.93  185.724   87.776   1.0856   88.630   1.0795 -0.8535767 1.530971 
1 1 1  -16    8   10 o   97.413   0.8278  9215.81  156.539  9266.98  221.452  9164.71  221.307   97.684   1.1679   97.143   1.1736 0.5407944 1.655668 
1 1 1  -16    8   11 o   42.843   0.5676  1781.53   47.194  1754.10   65.964  1810.30   67.548   42.505   0.7995   43.181   0.8059 -0.6754456 1.135144 
1 1 1  -16    8   12 o   45.949   0.7951  2061.65   70.069  1973.23  106.441  2129.27   93.082   45.073   1.2166   46.826   1.0240 -1.753170 1.590175 
1 1 1  -16    8   13 o   86.572   1.0278  7282.09  172.702  7123.42  243.290  7443.27  245.197   85.620   1.4638   87.523   1.4432 -1.902542 2.055615 
1 1 1  -16    8   14 o   43.496   0.8091  1842.51   67.868  1792.87  101.223  1883.06   91.476   42.960   1.2138   44.031   1.0702 -1.071590 1.618253 
1 1 1  -16    8   15 o   24.993   1.0556  609.757   50.750  585.720   76.258  628.867   67.993   24.546   1.6004   25.439   1.3769 -0.8933048 2.111209 
1 1 1  -16    8   16 o   17.619   1.5177  309.416   49.293  278.026   81.629  327.433   61.842   16.890   2.4898   18.349   1.7363 -1.458876 3.035371 
1 1 1  -16    8   17 o   69.510   0.9344  4691.51  125.778  4751.35  184.946  4640.01  171.562   69.919   1.3626   69.101   1.2790 0.8184967 1.868870 
1 1 1  -16    8   18 o   73.547   0.9746  5262.11  138.983  5165.94  200.228  5351.53  193.071   72.895   1.4150   74.199   1.3405 -1.304176 1.949123 
1 1 1  -16    8   19 f   28.409   1.0939  818.923   57.323  656.104   91.145  925.470   73.731   25.960   1.8087   30.857   1.2309 -4.897051 2.187783 
1 1 1  -16    8   20 o   30.767   1.0465  924.121   60.980  906.424   97.093  935.649   78.363   30.515   1.6391   31.020   1.3014 -0.5048428 2.092926 
1 1 1  -16    8   21 o   29.951   1.0960  881.958   56.562  853.682  107.958  892.656   66.406   29.598   1.8790   30.305   1.1288 -0.7068634 2.192031 
1 1 1  -16    8   22 o  110.471   1.1899 11930.47  242.482 11756.90  411.541 12022.77  300.107  109.787   1.9311  111.154   1.3909 -1.366806 2.379813 
1 1 1  -16    8   23 o   34.305   0.9877  1140.39   60.378  1160.79  110.360  1131.68   72.130   34.499   1.6479   34.110   1.0894 0.3890076 1.975439 
1 1 1  -16    8   24 o   52.110   0.8609  2674.27   80.676  2563.91  142.863  2725.94   97.755   51.277   1.4353   52.942   0.9512 -1.664227 1.721848 
1 1 1  -16    8   25 o   26.153   1.2155  669.526   53.083  669.685  107.071  669.474   61.123   26.098   2.1135   26.208   1.2014 -0.1098747 2.431078 
1 1 1  -16    8   26 o   27.328   1.3269  700.999   64.946  653.038   76.931  819.965  121.164   25.831   1.5343   28.825   2.1654 -2.994764 2.653845 
1 1 1  -16    8   27 o   22.662   2.0029  535.476   84.785  397.236  124.913  653.570  115.453   19.715   3.2639   25.609   2.3225 -5.893141 4.005889 
1 1 1  -16    8   28 o   33.464   1.4713  1117.86   95.378  1041.56  135.241  1193.36  134.532   32.293   2.1574   34.635   2.0010 -2.341633 2.942535 
1 1 1  -16    8   29 o   31.785   1.6067  1016.96   98.916  1032.37  145.177  1003.61  135.138   31.975   2.3390   31.595   2.2034 0.3794537 3.213384 
1 1 1  -16    8   30 o   27.446   1.9204  782.821  100.312  760.993  156.423  798.069  130.733   26.938   2.9914   27.955   2.4092 -1.016649 3.840878 
1 1 1  -16    8   31 o   9.7792   2.9613   37.995  102.983  101.471  143.250 -29.9001  148.154   10.780   4.3783   8.7785   3.9885 2.001408 5.922593 
1 1 1  -16    9    1 o   54.700   0.6018  2904.65   63.881  2899.05   89.087  2910.58   91.650   54.646   0.8398   54.754   0.8623 -0.1082840 1.203685 
1 1 1  -16    9    2 o  162.655   1.1762 25698.44  371.247 25554.77  517.268 25851.05  533.136  162.188   1.6430  163.122   1.6837 -0.9337616 2.352480 
1 1 1  -16    9    3 o   89.888   0.7709  7845.44  134.511  7853.67  189.849  7837.14  190.609   89.936   1.0875   89.841   1.0930 0.9491730E-01 1.541788 
1 1 1  -16    9    4 o   47.906   0.5899  2227.94   54.856  2233.09   77.997  2222.91   77.165   47.960   0.8378   47.851   0.8307 0.1093559 1.179826 
1 1 1  -16    9    5 o   99.778   0.8325  9665.59  161.224  9797.08  230.177  9538.94  225.894  100.444   1.1805   99.112   1.1741 1.331894 1.664990 
1 1 1  -16    9    6 o   70.767   0.6685  4861.84   91.829  4921.27  130.560  4803.65  129.183   71.195   0.9447   70.339   0.9461 0.8559113 1.337015 
1 1 1  -16    9    7 o   70.872   0.9153  4866.54  125.573  5027.43  185.861  4731.42  170.327   71.945   1.3308   69.798   1.2571 2.147568 1.830693 
1 1 1  -16    9    8 o   51.912   0.7037  2615.68   67.029  2619.62  115.548  2613.69   82.291   51.938   1.1461   51.886   0.8170 0.5189133E-01 1.407488 
1 1 1  -16    9    9 o   58.975   0.6103  3376.65   69.863  3342.77   98.355  3411.15   99.254   58.677   0.8635   59.274   0.8626 -0.5971031 1.220557 
1 1 1  -16    9   10 o  155.765   1.1361 23572.81  343.473 23787.33  490.631 23366.63  481.000  156.459   1.6154  155.071   1.5979 1.387741 2.272200 
1 1 1  -16    9   11 o   33.031   0.6157  1059.69   39.458  1072.01   55.176  1046.81   56.449   33.228   0.8554   32.835   0.8856 0.3932991 1.231304 
1 1 1  -16    9   12 o   86.125   1.0213  7206.67  170.743  7156.79  241.252  7256.73  241.682   85.826   1.4481   86.423   1.4406 -0.5976257 2.042612 
1 1 1  -16    9   13 o   86.904   1.0388  7339.09  175.216  7340.22  249.919  7338.00  245.720   86.910   1.4814   86.899   1.4567 0.1138306E-01 2.077583 
1 1 1  -16    9   14 o  131.195   1.3475 16742.91  343.164 16776.49  485.525 16709.39  485.089  131.327   1.9045  131.064   1.9067 0.2631989 2.694933 
1 1 1  -16    9   15 o   34.734   0.8101  1156.90   54.124  1281.58   83.674  1067.21   70.971   36.321   1.1868   33.147   1.1030 3.174656 1.620192 
1 1 1  -16    9   16 o  120.751   1.2878 14178.66  301.768 14396.39  432.969 13972.96  420.820  121.650   1.8335  119.852   1.8088 1.798706 2.575533 
1 1 1  -16    9   17 o   77.072   1.0082  5779.62  150.604  5662.92  217.856  5886.44  208.428   76.323   1.4705   77.822   1.3797 -1.499184 2.016392 
1 1 1  -16    9   18 o   57.791   0.8779  3251.28   98.047  3183.63  144.828  3308.53  133.216   57.231   1.3036   58.351   1.1761 -1.119682 1.755759 
1 1 1  -16    9   19 o   59.090   0.8993  3390.77  102.514  3422.34  154.145  3365.73  137.271   59.332   1.3384   58.848   1.2017 0.4833450 1.798676 
1 1 1  -16    9   20 o   86.371   1.0985  7267.79  183.974  7009.14  263.054  7515.45  257.395   84.859   1.5969   87.884   1.5088 -3.024902 2.196951 
1 1 1  -16    9   21 o   70.272   0.8927  4831.68  113.423  4719.18  199.875  4885.12  137.750   69.641   1.4785   70.904   1.0008 -1.262390 1.785408 
1 1 1  -16    9   22 o   67.147   0.8651  4401.31  106.187  4336.40  183.599  4433.93  130.166   66.750   1.4169   67.544   0.9928 -0.7934494 1.730117 
1 1 1  -16    9   23 f   40.172   0.9268  1594.07   65.332  1517.53  120.509  1625.93   77.750   39.451   1.5736   40.893   0.9795 -1.441849 1.853528 
1 1 1  -16    9   24 o   49.284   0.8521  2382.25   75.501  2320.36  134.333  2410.84   91.284   48.781   1.4186   49.787   0.9445 -1.006252 1.704288 
1 1 1  -16    9   25 o   17.500   1.8432  322.081   49.389  282.821  103.337  333.704   56.227   16.524   3.3365   18.475   1.5678 -1.950344 3.686468 
1 1 1  -16    9   26 o   15.557   2.5021  257.632   73.948  290.835  100.636  218.664  109.024   16.742   3.2133   14.372   3.8361 2.370024 5.004159 
1 1 1  -16    9   27 o   35.517   1.3564  1248.82   93.217  1224.58  136.592  1269.95  127.531   35.165   2.0010   35.868   1.8316 -0.7034111 2.712744 
1 1 1  -16    9   28 o   31.616   1.5232  999.591   93.337  959.937  133.814  1037.17  130.256   30.974   2.2255   32.257   2.0802 -1.282934 3.046345 
1 1 1  -16    9   29 o   26.047   1.9140  694.836   96.648  695.066  140.240  694.628  133.378   26.015   2.7770   26.079   2.6347 -0.6343269E-01 3.828025 
1 1 1  -16    9   30 o   13.492   3.0468  211.413   94.848  127.536  142.585  277.988  127.030   11.518   4.4653   15.466   4.1464 -3.947706 6.093567 
1 1 1  -16    9   31 o   10.183   2.9876   74.328   98.402   29.690  146.549  110.977  132.788   9.5695   4.1775   10.796   4.2722 -1.226364 5.975149 
1 1 1  -16   10    1 o   80.135   0.7123  6236.17  110.776  6341.53  156.147  6129.40  157.181   80.817   0.9953   79.453   1.0191 1.363884 1.424531 
1 1 1  -16   10    2 o   39.246   0.6141  1494.95   46.776  1473.95   65.487  1516.83   66.837   38.964   0.8658   39.527   0.8711 -0.5627022 1.228181 
1 1 1  -16   10    3 o  117.781   0.9435 13472.84  215.715 13431.53  304.905 13514.23  305.230  117.600   1.3356  117.962   1.3330 -0.3616257 1.886996 
1 1 1  -16   10    4 o   39.464   0.5996  1512.17   45.920  1473.23   64.867  1551.28   65.014   38.955   0.8578   39.974   0.8379 -1.018723 1.199108 
1 1 1  -16   10    5 o   71.696   0.6811  4991.10   94.785  5050.96  134.032  4931.22  134.060   72.127   0.9573   71.266   0.9691 0.8603287 1.362165 
1 1 1  -16   10    6 o   28.853   0.6761  808.410   37.866  795.365   53.633  821.374   53.468   28.621   0.9653   29.086   0.9470 -0.4643917 1.352288 
1 1 1  -16   10    7 o   76.853   0.6966  5734.83  103.917  5731.34  146.009  5738.42  147.931   76.829   0.9790   76.876   0.9913 -0.4701233E-01 1.393244 
1 1 1  -16   10    8 o   35.046   0.6003  1191.40   40.814  1140.40   56.827  1245.74   58.657   34.272   0.8542   35.820   0.8436 -1.547977 1.200511 
1 1 1  -16   10    9 o   60.531   0.6097  3554.25   71.581  3482.69   98.923  3632.91  103.710   59.892   0.8509   61.170   0.8734 -1.277500 1.219345 
1 1 1  -16   10   10 o   44.439   0.5667  1916.94   48.882  1888.89   68.589  1945.89   69.683   44.108   0.8011   44.769   0.8018 -0.6605148 1.133420 
1 1 1  -16   10   11 f  110.505   0.9045 11860.07  194.013 11745.01  272.216 11978.86  276.588  109.960   1.2753  111.049   1.2831 -1.088776 1.809057 
1 1 1  -16   10   12 o   85.169   1.0236  7049.06  169.192  6956.10  240.643  7139.94  237.927   84.612   1.4651   85.725   1.4298 -1.113022 2.047161 
1 1 1  -16   10   13 o   39.665   0.7921  1514.11   59.787  1597.34   95.534  1460.53   76.652   40.550   1.2137   38.780   1.0182 1.770504 1.584238 
1 1 1  -16   10   14 o   70.475   0.9196  4823.86  125.424  4848.55  184.880  4802.81  170.719   70.639   1.3483   70.311   1.2508 0.3284988 1.839126 
1 1 1  -16   10   15 o   92.602   1.0769  8336.80  193.495  8278.49  277.071  8392.31  270.340   92.284   1.5467   92.921   1.4988 -0.6365280 2.153719 
1 1 1  -16   10   16 o   38.887   0.8856  1471.45   63.406  1462.65  108.327  1476.03   78.201   38.792   1.4386   38.983   1.0334 -0.1905060 1.771274 
1 1 1  -16   10   17 o   97.612   1.1539  9265.53  218.606  9315.14  312.766  9218.15  305.669   97.866   1.6463   97.359   1.6174 0.5073547 2.307892 
1 1 1  -16   10   18 o   62.487   0.9081  3800.19  109.868  3719.74  160.218  3871.60  150.950   61.858   1.3343   63.116   1.2321 -1.257343 1.816110 
1 1 1  -16   10   19 o   24.756   1.2394  574.931   57.345  675.337   97.971  522.604   70.726   26.333   1.9166   23.178   1.5720 3.155548 2.478760 
1 1 1  -16   10   20 o   70.002   0.8894  4836.37  113.162  4556.55  195.548  4977.25  138.755   68.434   1.4720   71.570   0.9987 -3.136703 1.778872 
1 1 1  -16   10   21 o   56.304   0.8529  3138.64   85.118  2942.03  153.738  3225.54  102.215   54.988   1.4403   57.619   0.9139 -2.630985 1.705732 
1 1 1  -16   10   22 o   49.169   0.8305  2304.58   73.720  2476.57  133.294  2228.79   88.484   50.448   1.3611   47.889   0.9518 2.558372 1.660928 
1 1 1  -16   10   23 o   66.222   0.8969  4283.97  106.137  4232.37  191.603  4306.82  127.483   65.893   1.4979   66.551   0.9868 -0.6579819 1.793781 
1 1 1  -16   10   24 o   30.929   1.0160  978.709   56.782  795.112   94.735  1081.65   70.937   28.523   1.7110   33.336   1.0962 -4.812620 2.032051 
1 1 1  -16   10   25 o   28.848   1.0952  816.056   52.753  808.776  106.184  818.442   60.784   28.708   1.9054   28.987   1.0802 -0.2788124 2.190305 
1 1 1  -16   10   26 o   27.744   1.4584  757.451   78.340  684.013  108.276  838.127  113.486   26.324   2.1189   29.165   2.0046 -2.840609 2.916869 
1 1 1  -16   10   27 o   34.173   1.3992  1148.58   91.055  1197.23  144.668  1116.66  117.176   34.708   2.1473   33.638   1.7945 1.069157 2.798368 
1 1 1  -16   10   28 o   15.534   2.8035  275.570   88.091  174.841  133.179  353.919  117.456   12.880   4.4173   18.187   3.4533 -5.306497 5.606959 
1 1 1  -16   10   29 o   56.286   1.2295  3143.96  133.793  3175.28  198.658  3117.95  180.996   56.487   1.8117   56.084   1.6625 0.4029655 2.458909 
1 1 1  -16   10   30 o   11.107   3.0971  111.389   98.281  115.185  142.392  107.935  135.822   11.236   4.4311   10.978   4.3281 0.2581511 6.194112 
1 1 1  -16   10   31 o   26.667   2.0270  752.054  104.578  799.727  155.786  712.949  141.094   27.379   2.9312   25.954   2.8006 1.425936 4.053995 
1 1 1  -16   11    1 o   46.763   0.5856  2123.03   53.156  2137.24   75.261  2108.89   75.086   46.919   0.8263   46.607   0.8299 0.3122406 1.171155 
1 1 1  -16   11    2 o   44.416   0.5791  1908.55   49.836  2032.61   73.190  1801.31   68.047   45.757   0.8240   43.075   0.8138 2.681896 1.158134 
1 1 1  -16   11    3 o   68.893   0.6490  4606.03   86.759  4542.95  120.600  4673.69  124.903   68.404   0.9082   69.381   0.9274 -0.9768143 1.298060 
1 1 1  -16   11    4 o   61.881   0.6273  3718.04   75.345  3758.79  106.288  3676.87  106.822   62.222   0.8800   61.540   0.8942 0.6821098 1.254585 
1 1 1  -16   11    5 o   17.356   1.0412  292.448   34.934  294.450   51.913  290.792   47.227   17.410   1.5361   17.302   1.4061 0.1071930 2.082479 
1 1 1  -16   11    6 o  109.408   0.8839 11624.80  187.708 11545.70  264.199 11705.43  266.739  109.033   1.2483  109.784   1.2516 -0.7514725 1.767712 
1 1 1  -16   11    7 o   42.798   0.5895  1778.35   48.975  1758.39   69.272  1798.30   69.250   42.558   0.8385   43.038   0.8289 -0.4804459 1.179066 
1 1 1  -16   11    8 f   84.323   0.7417  6902.90  121.398  7044.06  173.135  6766.38  170.267   85.171   1.0472   83.475   1.0508 1.695740 1.483487 
1 1 1  -16   11    9 o   64.830   0.6307  4080.53   79.367  4035.77  111.798  4126.01  112.692   64.472   0.8933   65.189   0.8905 -0.7169418 1.261373 
1 1 1  -16   11   10 o   36.637   0.5900  1303.62   41.935  1246.10   59.184  1361.61   59.426   35.825   0.8511   37.449   0.8175 -1.624043 1.180067 
1 1 1  -16   11   11 o   56.917   0.7317  3145.08   76.491  3148.53  131.572  3143.32   94.010   56.936   1.1905   56.898   0.8512 0.3740692E-01 1.463437 
1 1 1  -16   11   12 o   95.007   1.0956  8772.47  202.037  8664.42  286.268  8879.70  285.182   94.423   1.5618   95.591   1.5369 -1.167793 2.191177 
1 1 1  -16   11   13 o   94.222   1.0910  8631.81  199.434  8532.02  285.953  8726.33  278.288   93.689   1.5723   94.755   1.5130 -1.066025 2.182031 
1 1 1  -16   11   14 o   55.356   0.8139  2969.30   87.000  3045.16  130.606  2908.78  116.646   55.988   1.2017   54.724   1.0981 1.264088 1.627844 
1 1 1  -16   11   15 o   37.888   0.8722  1426.69   61.619  1270.10   99.197  1525.07   78.628   36.151   1.4136   39.626   1.0222 -3.475052 1.744424 
1 1 1  -16   11   16 o   21.102   1.3612  436.548   50.459  425.668   93.505  441.018   59.935   20.903   2.3044   21.301   1.4495 -0.3975143 2.722394 
1 1 1  -16   11   17 o   86.259   1.0601  7230.42  177.145  7294.69  259.385  7174.23  242.507   86.614   1.5427   85.905   1.4543 0.7093735 2.120121 
1 1 1  -16   11   18 o   44.182   0.8905  1922.70   74.971  1745.07  114.490  2056.05   99.198   42.365   1.3922   46.000   1.1109 -3.634933 1.781098 
1 1 1  -16   11   19 o   29.462   1.1051  871.748   59.080  763.354  100.237  929.450   73.134   28.000   1.8442   30.924   1.2183 -2.924133 2.210294 
1 1 1  -16   11   20 o   28.324   1.1208  794.157   52.549  755.392  106.097  806.758   60.490   27.837   1.9634   28.812   1.0816 -0.9743862 2.241590 
1 1 1  -16   11   21 o   87.803   1.0192  7535.90  162.708  7402.88  284.077  7600.85  198.491   87.185   1.6785   88.422   1.1564 -1.237434 2.038330 
1 1 1  -16   11   22 o   30.072   1.0342  890.162   55.739  855.025   99.364  906.296   67.330   29.616   1.7284   30.529   1.1361 -0.9126720 2.068357 
1 1 1  -16   11   23 o   16.058   1.9584  238.043   53.386  306.064  105.962  214.902   61.804   17.304   3.2744   14.812   2.1495 2.492527 3.916887 
1 1 1  -16   11   24 o   24.738   1.3324  643.762   54.650  510.829  104.381  693.961   64.144   22.787   2.3598   26.689   1.2381 -3.902704 2.664875 
1 1 1  -16   11   25 o   15.794   1.9065  261.730   47.595  233.637   97.075  270.620   54.610   14.964   3.4170   16.624   1.6923 -1.659984 3.813069 
1 1 1  -16   11   26 o   25.951   1.5153  664.545   76.268  643.360  105.261  687.958  110.659   25.520   2.1248   26.382   2.1608 -0.8618164 3.030522 
1 1 1  -16   11   27 o   12.652   2.5162  161.080   60.115  145.520   71.461  198.751  111.188   11.735   3.0933   13.568   3.9694 -1.833569 5.032352 
1 1 1  -16   11   28 o   12.758   2.9241  167.594   83.308  226.568  127.051  123.114  110.340   14.295   4.2593   11.221   4.0074 3.074056 5.848119 
1 1 1  -16   11   29 o   20.719   2.2566  444.874   90.143  495.909  137.650  406.553  119.279   21.711   3.2661   19.727   3.1148 1.983847 4.513250 
1 1 1  -16   11   30 o   10.400   3.0373   74.489  100.187   43.476  149.491   99.776  134.987   10.026   4.2970   10.775   4.2936 -0.7494497 6.074521 
1 1 1  -16   11   31 o   9.8704   3.0005   51.302  103.529   55.642  150.148   47.368  142.941   10.013   4.2994   9.7280   4.1864 0.2848969 6.000939 
1 1 1  -16   12    1 o   39.509   0.6013  1515.16   46.103  1503.75   64.243  1527.27   66.201   39.356   0.8409   39.662   0.8598 -0.3062210 1.202695 
1 1 1  -16   12    2 o   78.372   0.6987  5959.03  106.135  5879.28  145.741  6049.08  154.870   77.815   0.9648   78.930   1.0108 -1.114311 1.397352 
1 1 1  -16   12    3 o   59.512   0.6006  3439.38   69.354  3475.05   96.990  3402.07   99.210   59.828   0.8351   59.196   0.8634 0.6321068 1.201195 
1 1 1  -16   12    4 o  105.942   0.8626 10899.62  177.373 10876.24  248.939 10923.72  252.792  105.827   1.2118  106.057   1.2279 -0.2299194 1.725162 
1 1 1  -16   12    5 o  118.300   0.9425 13590.91  216.404 13459.15  303.397 13727.35  308.757  117.716   1.3277  118.883   1.3379 -1.166435 1.884917 
1 1 1  -16   12    6 f   38.494   0.8270  1484.16   55.055  1543.17   65.263  1338.54  102.524   39.868   0.8433   37.121   1.4228 2.747356 1.653942 
1 1 1  -16   12    7 o  141.800   1.0602 19534.33  291.831 19527.32  411.662 19541.41  413.770  141.774   1.4958  141.825   1.5029 -0.5050659E-01 2.120443 
1 1 1  -16   12    8 o  113.721   0.9372 12557.48  206.849 12379.33  288.685 12745.45  296.529  112.893   1.3173  114.549   1.3335 -1.656174 1.874481 
1 1 1  -16   12    9 o   80.902   0.7228  6354.02  113.498  6451.81  162.274  6260.38  158.802   81.512   1.0256   80.293   1.0189 1.218056 1.445632 
1 1 1  -16   12   10 o   55.509   0.5929  2991.47   63.889  2963.59   89.920  3019.89   90.793   55.248   0.8384   55.770   0.8387 -0.5223045 1.185889 
1 1 1  -16   12   11 o  161.799   1.3443 25419.14  410.220 25600.32  665.109 25307.90  521.150  162.230   2.1120  161.367   1.6637 0.8623657 2.688605 
1 1 1  -16   12   12 o   58.616   0.8332  3335.66   94.519  3357.51  139.429  3317.09  128.570   58.792   1.2217   58.440   1.1333 0.3516884 1.666462 
1 1 1  -16   12   13 o   36.867   0.8731  1338.87   59.920  1253.17   98.337  1389.47   75.569   35.911   1.4107   37.824   1.0292 -1.913151 1.746228 
1 1 1  -16   12   14 o   37.214   0.8083  1340.80   57.729  1374.35   89.078  1316.50   75.803   37.612   1.2200   36.816   1.0607 0.7960205 1.616639 
1 1 1  -16   12   15 o   88.356   1.0671  7585.31  182.791  7651.37  265.881  7526.09  251.712   88.718   1.5439   87.995   1.4736 0.7231522 2.134260 
1 1 1  -16   12   16 o   68.784   0.9295  4607.31  123.512  4493.72  182.609  4703.09  167.688   67.997   1.3835   69.572   1.2417 -1.575233 1.858953 
1 1 1  -16   12   17 o   73.791   0.9861  5290.09  140.482  5321.43  210.196  5264.79  188.857   73.983   1.4636   73.599   1.3219 0.3833313 1.972200 
1 1 1  -16   12   18 o   44.773   0.8725  1943.42   73.748  1969.86  119.470  1927.14   93.740   45.011   1.3673   44.535   1.0843 0.4764214 1.745082 
1 1 1  -16   12   19 o   46.742   0.8225  2150.99   64.768  2067.55  127.782  2179.83   75.134   46.108   1.4277   47.375   0.8170 -1.267021 1.644902 
1 1 1  -16   12   20 o   30.710   1.0395  924.725   53.555  903.314  106.760  931.925   61.907   30.452   1.8061   30.968   1.0298 -0.5163994 2.079033 
1 1 1  -16   12   21 o   46.898   0.8322  2139.92   69.113  2134.74  127.112  2142.09   82.349   46.841   1.3980   46.955   0.9035 -0.1138573 1.664497 
1 1 1  -16   12   22 o   34.246   1.0287  1205.33   58.468  1018.29  113.777  1272.45   68.155   32.309   1.8141   36.182   0.9704 -3.872482 2.057332 
1 1 1  -16   12   23 o   50.949   0.8550  2553.75   77.576  2459.08  139.966  2595.74   93.202   50.228   1.4355   51.669   0.9293 -1.440239 1.710032 
1 1 1  -16   12   24 o   22.982   1.4456  507.077   54.884  539.326  114.118  497.373   62.599   23.386   2.5138   22.579   1.4282 0.8069458 2.891230 
1 1 1  -16   12   25 o   28.151   1.0954  772.736   52.636  779.877  102.957  770.209   61.244   28.188   1.8816   28.114   1.1222 0.7426643E-01 2.190847 
1 1 1  -16   12   26 o   22.119   1.6610  483.941   71.114  463.888   96.269  508.027  105.506   21.628   2.2930   22.610   2.4039 -0.9818115 3.322082 
1 1 1  -16   12   27 o   36.546   1.0481  1346.22   66.243  1390.90   78.445  1235.17  123.673   37.736   1.0709   35.356   1.8020 2.379578 2.096164 
1 1 1  -16   12   28 o   8.4223   2.6402 -29.5845   88.393 -110.8914  137.421   27.797  115.445   7.7613   3.6354   9.0832   3.8298 -1.321896 5.280501 
1 1 1  -16   12   29 o   28.355   1.7676  817.014   97.069  858.239  143.258  782.021  131.987   28.989   2.5458   27.721   2.4528 1.267706 3.535140 
1 1 1  -16   12   30 o   17.850   2.8641  355.489   97.510  498.874  151.508  254.101  127.402   21.009   3.8573   14.692   4.2350 6.316998 5.728296 
1 1 1  -16   12   31 o   23.133   2.5179  607.998  107.442  471.656  152.030  744.036  151.861   19.941   4.0654   26.325   2.9717 -6.384338 5.035721 
1 1 1  -16   13    1 o  128.689   0.9936 16062.57  247.304 15816.32  334.469 16359.57  367.315  127.606   1.3503  129.771   1.4581 -2.164848 1.987298 
1 1 1  -16   13    2 o   34.941   0.6403  1184.72   43.369  1173.30   59.688  1197.49   63.123   34.763   0.8845   35.119   0.9259 -0.3558731 1.280508 
1 1 1  -16   13    3 o   80.677   0.7157  6314.98  111.958  6220.13  154.243  6420.60  162.765   80.038   0.9928   81.316   1.0311 -1.278267 1.431376 
1 1 1  -16   13    4 o   62.264   0.6227  3764.25   75.258  3817.15  106.384  3711.25  106.476   62.702   0.8740   61.826   0.8872 0.8762054 1.245406 
1 1 1  -16   13    5 o   40.433   0.5802  1585.91   45.461  1607.39   66.487  1567.06   62.301   40.689   0.8418   40.176   0.7988 0.5131340 1.160483 
1 1 1  -16   13    6 o  118.821   0.9542 13713.03  220.086 13820.35  312.537 13607.46  309.976  119.282   1.3498  118.360   1.3491 0.9222641 1.908427 
1 1 1  -16   13    7 f  112.776   0.9274 12347.15  202.946 12123.71  282.528 12585.36  291.710  111.723   1.3027  113.829   1.3202 -2.106148 1.854718 
1 1 1  -16   13    8 o   76.789   0.6958  5717.29  103.615  5914.06  150.523  5540.09  142.847   78.042   0.9936   75.535   0.9742 2.507111 1.391517 
1 1 1  -16   13    9 o  138.442   1.0642 18621.38  285.996 18734.63  406.445 18510.30  402.503  138.858   1.5079  138.025   1.5023 0.8333282 2.128492 
1 1 1  -16   13   10 o   84.754   0.7447  6974.02  122.501  6877.50  171.397  7074.81  175.148   84.155   1.0492   85.353   1.0571 -1.198288 1.489396 
1 1 1  -16   13   11 o   62.914   0.7846  3774.73   88.305  4021.80  162.066  3670.40  105.311   64.344   1.2975   61.483   0.8824 2.861401 1.569127 
1 1 1  -16   13   12 o  154.023   1.4418 23078.34  431.043 23272.92  613.350 22888.45  605.893  154.664   2.0429  153.382   2.0350 1.281418 2.883512 
1 1 1  -16   13   13 o  105.742   1.1700 10870.44  240.150 10887.83  340.617 10853.24  338.639  105.825   1.6581  105.658   1.6511 0.1675262 2.339955 
1 1 1  -16   13   14 o   51.269   0.8224  2560.30   80.912  2506.14  123.465  2601.07  107.122   50.789   1.2523   51.749   1.0664 -0.9600296 1.644814 
1 1 1  -16   13   15 o   96.071   1.1204  8955.41  208.533  9244.99  306.444  8705.66  284.589   97.511   1.6189   94.631   1.5492 2.879982 2.240796 
1 1 1  -16   13   16 o   42.010   0.8682  1723.65   67.463  1685.38  113.647  1744.47   83.831   41.641   1.4060   42.379   1.0190 -0.7381401 1.736425 
1 1 1  -16   13   17 o  100.170   1.2085  9770.35  234.370  9643.53  343.009  9881.41  320.985   99.551   1.7750  100.790   1.6406 -1.239082 2.417053 
1 1 1  -16   13   18 o   25.858   1.1580  648.508   53.865  656.089   96.669  645.094   64.869   25.955   1.9187   25.760   1.2972 0.1943684 2.316072 
1 1 1  -16   13   19 o   9.4403   2.3140   77.226   45.249   69.179   99.645   79.316   50.787   9.9118   3.7604   8.9688   2.6976 0.9429684 4.627923 
1 1 1  -16   13   20 o   32.293   0.9960  988.013   53.477  1065.83  110.688  964.320   61.078   33.083   1.7236   31.503   0.9988 1.580215 1.992046 
1 1 1  -16   13   21 o   48.100   0.8252  2249.27   69.884  2250.11  129.885  2248.92   82.907   48.089   1.3914   48.112   0.8877 -0.2249908E-01 1.650445 
1 1 1  -16   13   22 o   58.432   0.8561  3250.39   87.111  3482.98  167.592  3164.29  101.967   59.804   1.4436   57.059   0.9206 2.744999 1.712189 
1 1 1  -16   13   23 o   29.596   1.0751  871.125   55.318  816.144  103.143  893.325   65.542   28.895   1.8389   30.298   1.1144 -1.403549 2.150208 
1 1 1  -16   13   24 o   50.445   0.8921  2482.05   77.857  2476.23  148.756  2484.25   91.371   50.356   1.5218   50.534   0.9315 -0.1775589 1.784220 
1 1 1  -16   13   25 o   26.570   1.2113  699.886   52.977  676.250  108.117  707.354   60.772   26.203   2.1256   26.937   1.1622 -0.7334576 2.422565 
1 1 1  -16   13   26 o   22.783   1.6535  518.308   72.567  540.638   98.171  491.411  107.746   23.364   2.1645   22.201   2.5001 1.163116 3.306956 
1 1 1  -16   13   27 o   7.3601   2.2978 -18.7954   63.110 -31.3466   81.548  -0.0533   99.650   6.6861   3.0058   8.0341   3.4763 -1.347948 4.595607 
1 1 1  -16   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   13   29 o   24.015   2.1040  594.878   97.180  716.768  144.489  494.193  131.320   26.319   2.8281   21.711   3.1160 4.608688 4.208018 
1 1 1  -16   13   30 o   25.231   2.1297  671.163  103.862  694.008  155.068  652.576  139.870   25.538   3.1280   24.924   2.8910 0.6137466 4.259376 
1 1 1  -16   13   31 o   12.065   3.2321  165.783  106.212  113.757  158.583  208.106  143.031   11.112   4.5704   13.018   4.5713 -1.906510 6.464151 
1 1 1  -16   14    1 o  111.744   0.8951 12120.64  193.810 12013.82  265.593 12242.32  283.456  111.220   1.2302  112.269   1.3007 -1.048500 1.790263 
1 1 1  -16   14    2 o  126.191   0.9687 15464.10  236.900 15401.36  325.512 15534.75  345.428  125.922   1.3317  126.460   1.4071 -0.5386429 1.937380 
1 1 1  -16   14    3 o   29.017   0.6854  818.551   38.554  776.409   54.856  859.684   54.196   28.277   0.9994   29.756   0.9383 -1.478588 1.370800 
1 1 1  -16   14    4 o  138.772   1.0136 18709.37  272.595 18741.52  375.081 18673.38  396.854  138.902   1.3911  138.642   1.4746 0.2597046 2.027192 
1 1 1  -16   14    5 o   60.151   0.6050  3509.86   70.585  3445.83   97.500  3580.38  102.319   59.575   0.8431   60.726   0.8680 -1.151409 1.210047 
1 1 1  -16   14    6 o   20.288   0.8409  400.098   33.068  374.129   46.699  426.213   46.831   19.627   1.2257   20.949   1.1516 -1.322456 1.681827 
1 1 1  -16   14    7 o  116.074   0.9302 13084.03  209.566 13269.56  299.230 12905.42  293.594  116.881   1.3189  115.267   1.3121 1.614433 1.860390 
1 1 1  -16   14    8 o   88.710   0.7685  7642.45  132.337  7592.54  187.644  7691.84  186.665   88.421   1.0932   88.998   1.0805 -0.5769119 1.537075 
1 1 1  -16   14    9 o  102.087   0.8634 10120.91  171.091 10235.93  244.064 10009.77  239.908  102.657   1.2248  101.517   1.2174 1.139999 1.726891 
1 1 1  -16   14   10 o  105.894   0.8870 10891.92  182.316 10901.59  259.743 10882.53  255.966  105.939   1.2630  105.848   1.2458 0.9156799E-01 1.774039 
1 1 1  -16   14   11 o   78.875   0.8683  6091.65  126.324  5884.95  213.384  6203.18  156.742   77.826   1.4124   79.923   1.0103 -2.096878 1.736567 
1 1 1  -16   14   12 o   49.596   0.8348  2393.97   78.368  2368.73  125.304  2410.19  100.435   49.376   1.3073   49.816   1.0386 -0.4395676 1.669669 
1 1 1  -16   14   13 o   41.887   0.7905  1711.33   63.488  1656.73   96.883  1752.42   84.051   41.297   1.2086   42.478   1.0193 -1.181259 1.581024 
1 1 1  -16   14   14 o   82.935   1.0311  6682.35  165.635  6724.65  242.672  6645.46  226.637   83.177   1.5030   82.693   1.4119 0.4842224 2.062120 
1 1 1  -16   14   15 o   68.567   0.9164  4567.49  121.149  4576.58  182.337  4560.30  162.104   68.623   1.3688   68.511   1.2189 0.1129532 1.832849 
1 1 1  -16   14   16 f  120.683   1.3484 14197.11  314.784 13882.86  462.004 14469.40  430.056  119.420   1.9930  121.947   1.8167 -2.527229 2.696753 
1 1 1  -16   14   17 o  115.867   1.3848 13076.45  311.363 12885.20  444.037 13261.45  436.723  115.027   1.9886  116.706   1.9277 -1.679108 2.769619 
1 1 1  -16   14   18 o   55.277   0.8151  3032.26   77.758  2831.00  146.657  3110.97   91.710   53.958   1.4002   56.597   0.8348 -2.638206 1.630118 
1 1 1  -16   14   19 o   40.127   0.9030  1572.61   58.606  1552.89  123.520  1578.34   66.577   39.944   1.5930   40.310   0.8508 -0.3661232 1.806013 
1 1 1  -16   14   20 o   9.6010   1.9701  101.298   45.748 -53.3193   94.409  148.745   52.298   7.0564   3.1973   12.146   2.3025 -5.089120 3.940112 
1 1 1  -16   14   21 o   41.460   0.8226  1729.62   60.872  1517.61  106.575  1832.27   74.158   39.492   1.3902   43.427   0.8797 -3.934376 1.645153 
1 1 1  -16   14   22 o   17.790   1.8892  330.363   50.915  291.371  108.433  341.392   57.667   16.866   3.4287   18.714   1.5874 -1.848141 3.778355 
1 1 1  -16   14   23 o   30.559   1.0114  886.960   54.463  966.420  103.096  856.200   64.144   31.457   1.6883   29.661   1.1141 1.796484 2.022759 
1 1 1  -16   14   24 o   15.184   1.9779  181.080   51.667  380.893  106.237  119.178   59.131   19.601   2.7922   10.767   2.8021 8.833397 3.955747 
1 1 1  -16   14   25 o   75.651   0.9551  5625.47  129.696  5491.41  231.430  5686.85  156.596   74.900   1.5917   76.402   1.0559 -1.502327 1.910112 
1 1 1  -16   14   26 o   10.211   2.7324   84.285   74.339   77.069  104.733   91.612  105.535   10.011   3.8414   10.411   3.8870 -0.4008007 5.464893 
1 1 1  -16   14   27 o   12.535   2.6351  160.186   73.106   83.081  100.077  248.410  107.051   9.9544   3.7704   15.116   3.6822 -5.162132 5.270190 
1 1 1  -16   14   28 o   12.542   3.0544  163.668   88.407  181.003  142.044  152.706  112.951   13.042   4.5569   12.043   4.0684 0.9987679 6.108781 
1 1 1  -16   14   29 o   28.924   1.7887  844.107   99.409  939.044  154.454  776.968  129.888   30.232   2.6319   27.616   2.4229 2.615641 3.577375 
1 1 1  -16   14   30 o   20.839   2.6929  501.894  103.706  388.604  154.086  595.711  140.219   17.993   4.4391   23.685   3.0498 -5.692488 5.385763 
1 1 1  -16   14   31 o   10.173   2.9705   69.757  101.504 -37.4805  156.005  148.484  133.667   8.7998   4.0340   11.547   4.3614 -2.746965 5.940922 
1 1 1  -16   15    1 o  132.187   1.0135 16966.42  259.517 16855.10  355.146 17093.96  380.154  131.725   1.3889  132.648   1.4764 -0.9229431 2.026996 
1 1 1  -16   15    2 o  107.969   0.8648 11313.94  180.940 11192.58  248.175 11451.64  264.368  107.354   1.1909  108.585   1.2542 -1.231712 1.729541 
1 1 1  -16   15    3 o   92.759   0.7764  8356.06  139.723  8371.55  194.401  8339.52  200.958   92.849   1.0786   92.670   1.1171 0.1794891 1.552843 
1 1 1  -16   15    4 o  101.001   0.8405  9890.17  164.576  9594.28  225.857 10225.11  240.306   99.394   1.1706  102.608   1.2065 -3.213737 1.681033 
1 1 1  -16   15    5 o   72.355   0.8284  5126.30  109.238  5208.91  133.804  4961.19  189.164   73.244   0.9411   71.466   1.3635 1.777855 1.656780 
1 1 1  -16   15    6 o  136.005   1.0417 17970.03  274.992 17947.54  385.553 17993.32  392.332  135.919   1.4613  136.090   1.4851 -0.1711121 2.083494 
1 1 1  -16   15    7 o   52.135   0.7734  2684.79   71.549  2754.80   85.942  2526.69  129.155   53.267   0.8312   51.002   1.3045 2.264790 1.546813 
1 1 1  -16   15    8 o   53.476   0.5881  2773.25   60.974  2713.92   83.894  2839.69   88.773   52.870   0.8174   54.081   0.8456 -1.210598 1.176127 
1 1 1  -16   15    9 o  161.081   1.1825 25217.59  369.736 25389.46  524.706 25048.08  521.085  161.626   1.6724  160.536   1.6721 1.090210 2.364942 
1 1 1  -16   15   10 o   99.467   0.8395  9609.83  162.083  9513.02  229.321  9706.47  229.117   98.966   1.1937   99.968   1.1807 -1.001945 1.678954 
1 1 1  -16   15   11 o  123.277   1.1381 14646.16  260.970 15206.31  440.679 14343.61  323.867  125.053   1.8154  121.502   1.3732 3.551170 2.276203 
1 1 1  -16   15   12 o  124.268   1.3166 15012.29  317.490 14474.42  443.950 15575.35  454.224  121.989   1.8748  126.547   1.8491 -4.557884 2.633220 
1 1 1  -16   15   13 o  119.953   1.2847 13992.43  299.109 13747.67  420.628 14242.81  425.419  118.891   1.8226  121.015   1.8110 -2.123672 2.569320 
1 1 1  -16   15   14 o   91.911   1.0861  8204.10  193.456  8341.92  282.761  8082.82  265.254   92.633   1.5725   91.190   1.4985 1.443199 2.172142 
1 1 1  -16   15   15 o  110.020   1.2579 11798.19  267.752 11450.76  391.642 12103.08  366.885  108.485   1.8597  111.555   1.6942 -3.070389 2.515772 
1 1 1  -16   15   16 o   52.955   0.8722  2738.48   87.409  2662.68  139.153  2787.89  112.338   52.339   1.3696   53.570   1.0803 -1.231022 1.744381 
1 1 1  -16   15   17 o   40.085   0.9103  1596.51   66.058  1463.19  114.129  1663.68   81.006   38.787   1.5158   41.383   1.0084 -2.595673 1.820593 
1 1 1  -16   15   18 o   14.370   1.9330  188.493   42.862  237.085   98.485  177.138   47.607   15.252   3.4118   13.489   1.8182 1.763181 3.866013 
1 1 1  -16   15   19 o   93.419   1.0721  8502.15  180.018  8466.33  322.272  8518.39  217.035   93.230   1.7808   93.608   1.1944 -0.3780975 2.144224 
1 1 1  -16   15   20 o   36.591   0.8782  1273.26   54.943  1362.41  108.809  1242.75   63.654   37.417   1.4981   35.765   0.9169 1.651669 1.756378 
1 1 1  -16   15   21 o   22.677   1.4204  568.495   49.144  393.946  101.211  622.344   56.215   20.054   2.5999   25.299   1.1447 -5.244999 2.840701 
1 1 1  -16   15   22 o   13.874   2.1110  216.790   47.920  145.768  100.381  237.752   54.535   12.143   3.8190   15.605   1.8003 -3.462141 4.222037 
1 1 1  -16   15   23 o   46.100   0.8915  2108.45   69.729  1990.71  135.416  2150.94   81.341   45.167   1.5445   47.033   0.8909 -1.866638 1.783028 
1 1 1  -16   15   24 o   48.579   0.8809  2365.37   74.143  2155.00  137.949  2450.82   87.922   46.966   1.5131   50.192   0.9024 -3.225784 1.761781 
1 1 1  -16   15   25 o   11.744   2.3467  131.521   49.309  164.938  103.044  121.597   56.155   12.641   3.8516   10.848   2.6820 1.793468 4.693385 
1 1 1  -16   15   26 o   34.286   1.2519  1158.12   83.024  1032.62  115.830  1290.72  119.063   32.354   1.8443   36.218   1.6935 -3.863846 2.503892 
1 1 1  -16   15   27 o   10.134   2.6865   84.184   73.445   39.874  104.327  127.723  103.414   9.0037   3.7056   11.265   3.8909 -2.260956 5.373078 
1 1 1  -16   15   28 o   17.643   2.6871  341.983   88.276  346.566  137.171  338.743  115.331   17.590   4.0941   17.697   3.4813 -0.1068172 5.374125 
1 1 1  -16   15   29 o   22.738   2.2394  549.073   97.730  512.389  145.963  578.882  131.575   21.884   3.4359   23.593   2.8730 -1.708349 4.478817 
1 1 1  -16   15   30 o   23.318   2.3116  584.654  101.617  593.300  164.013  579.268  129.458   23.173   3.6462   23.463   2.8423 -0.2906017 4.623118 
1 1 1  -16   16    1 o  172.752   1.1687 28972.42  389.831 28734.29  523.973 29267.65  583.414  171.968   1.5696  173.536   1.7319 -1.568192 2.337350 
1 1 1  -16   16    2 o   97.182   0.8154  9171.85  153.699  9170.18  213.100  9173.66  221.895   97.174   1.1297   97.190   1.1761 -0.1615906E-01 1.630814 
1 1 1  -16   16    3 o   93.508   0.7978  8490.70  144.816  8414.42  203.912  8568.32  205.701   93.084   1.1285   93.931   1.1281 -0.8474503 1.595682 
1 1 1  -16   16    4 o  143.911   1.0633 20133.19  296.198 20288.52  404.810 19954.21  434.544  144.514   1.4430  143.307   1.5621 1.206787 2.126597 
1 1 1  -16   16    5 o  220.885   1.3671 47410.57  581.650 47248.59  775.168 47619.28  879.906  220.476   1.8112  221.294   2.0483 -0.8182831 2.734261 
1 1 1  -16   16    6 o  123.100   0.9596 14703.51  228.676 14500.47  311.155 14941.98  337.209  122.181   1.3119  124.020   1.4007 -1.839310 1.919134 
1 1 1  -16   16    7 o  143.224   1.1008 19930.58  306.032 19714.98  429.957 20151.97  435.689  142.439   1.5550  144.009   1.5586 -1.569595 2.201612 
1 1 1  -16   16    8 o  124.129   0.9825 14965.91  236.718 15163.02  337.920 14775.97  331.706  124.931   1.3934  123.326   1.3856 1.604172 1.965055 
1 1 1  -16   16    9 f  130.543   1.0252 16554.49  259.730 16431.58  362.983 16683.44  371.803  130.048   1.4379  131.038   1.4617 -0.9906616 2.050353 
1 1 1  -16   16   10 o   37.982   0.5618  1401.26   41.393  1334.71   58.438  1468.28   58.639   37.077   0.8120   38.888   0.7768 -1.811520 1.123687 
1 1 1  -16   16   11 f   12.352   1.9231  178.670   38.248   97.290   84.741  199.491   42.863   10.377   3.5239   14.326   1.5413 -3.949606 3.846171 
1 1 1  -16   16   12 o   68.159   0.9106  4524.47  120.008  4374.42  175.999  4654.85  164.063   67.097   1.3513   69.221   1.2210 -2.124344 1.821191 
1 1 1  -16   16   13 o   34.881   0.8664  1227.99   54.338  1053.62   93.234  1317.69   66.868   32.926   1.4587   36.836   0.9352 -3.910183 1.732745 
1 1 1  -16   16   14 o   53.937   0.8563  2835.92   87.297  2784.12  139.830  2869.01  111.750   53.526   1.3458   54.348   1.0592 -0.8225327 1.712634 
1 1 1  -16   16   15 o   19.418   1.4378  353.172   45.803  393.280   97.355  341.770   51.907   20.084   2.4971   18.751   1.4260 1.332941 2.875622 
1 1 1  -16   16   16 o  102.419   1.2489 10207.26  248.190 10175.15  356.139 10237.58  346.065  102.258   1.7941  102.580   1.7379 -0.3212967 2.497862 
1 1 1  -16   16   17 o   72.805   0.8961  5248.83  116.347  4904.67  207.746  5406.10  140.436   71.012   1.5071   74.599   0.9698 -3.587685 1.792154 
1 1 1  -16   16   18 o   81.562   0.9601  6499.03  140.344  6387.28  251.769  6549.41  169.043   81.023   1.6008   82.101   1.0607 -1.078232 1.920285 
1 1 1  -16   16   19 f   88.227   1.0276  7660.57  163.691  7331.51  287.633  7818.19  199.072   86.770   1.7077   89.684   1.1435 -2.914581 2.055164 
1 1 1  -16   16   20 o   39.022   0.8691  1509.37   57.131  1422.51  112.144  1539.81   66.393   38.230   1.5111   39.813   0.8591 -1.582283 1.738258 
1 1 1  -16   16   21 o   50.151   0.8460  2458.82   72.891  2418.76  140.380  2473.61   85.290   49.845   1.4508   50.456   0.8708 -0.6105156 1.692097 
1 1 1  -16   16   22 o   15.049   1.8985  233.095   46.082  215.268   92.831  238.924   53.084   14.454   3.3706   15.643   1.7481 -1.189410 3.796904 
1 1 1  -16   16   23 o   78.089   0.9803  5987.85  136.004  5838.86  247.153  6052.55  162.883   77.315   1.6468   78.863   1.0640 -1.548111 1.960611 
1 1 1  -16   16   24 o   27.502   1.1534  734.381   52.788  750.904  107.614  729.145   60.577   27.648   2.0051   27.355   1.1408 0.2930374 2.306892 
1 1 1  -16   16   25 f   31.237   1.0612  972.130   54.685  921.786  110.730  988.370   62.890   30.624   1.8627   31.851   1.0172 -1.227100 2.122315 
1 1 1  -16   16   26 o   10.254   2.6550   93.159   68.926   87.480   94.497   99.615  100.755   10.013   3.6898   10.495   3.8187 -0.4822817 5.310033 
1 1 1  -16   16   27 f   30.826   1.3102  935.453   78.095  834.787  105.836  1055.78  115.709   29.009   1.8795   32.644   1.8260 -3.634295 2.620433 
1 1 1  -16   16   28 o   17.928   2.0335  360.993   57.591  388.521   67.140  284.337  112.039   19.787   1.7479   16.069   3.6721 3.718948 4.066926 
1 1 1  -16   16   29 o   15.909   3.0315  280.272   94.925  388.099  153.617  213.666  120.735   18.189   4.3990   13.630   4.1723 4.558125 6.062946 
1 1 1  -16   16   30 o   19.072   2.7517  423.621   99.342  350.310  147.121  485.060  134.682   16.980   4.4203   21.163   3.2784 -4.182802 5.503335 
1 1 1  -16   17    1 o  100.752   0.8398  9861.39  164.069  9915.64  227.256  9802.33  237.114  101.044   1.1586  100.461   1.2159 0.5821381 1.679519 
1 1 1  -16   17    2 o   41.089   0.5956  1638.76   47.478  1627.56   65.966  1650.79   68.386   40.943   0.8300   41.234   0.8544 -0.2907066 1.191150 
1 1 1  -16   17    3 o   73.724   0.6783  5277.67   96.996  5279.58  134.483  5275.59  140.031   73.739   0.9395   73.710   0.9787 0.2910614E-01 1.356650 
1 1 1  -16   17    4 o   85.429   0.7353  7077.76  121.776  6921.13  167.182  7254.79  177.738   84.424   1.0201   86.434   1.0593 -2.009399 1.470662 
1 1 1  -16   17    5 o   56.609   0.7682  3148.04   78.011  3208.51   94.315  3017.06  138.805   57.486   0.8452   55.732   1.2830 1.753616 1.536384 
1 1 1  -16   17    6 o   58.057   0.6080  3272.91   68.509  3285.24   95.978  3260.11   97.821   58.169   0.8500   57.946   0.8697 0.2233658 1.216060 
1 1 1  -16   17    7 o   45.188   0.5551  1982.17   48.668  1972.69   67.618  1992.35   70.104   45.076   0.7728   45.300   0.7972 -0.2236252 1.110279 
1 1 1  -16   17    8 o   47.785   0.5635  2217.08   52.265  2204.75   74.387  2229.10   73.449   47.653   0.8042   47.916   0.7897 -0.2626610 1.127045 
1 1 1  -16   17    9 o   59.147   0.6040  3396.85   69.349  3379.35   98.306  3414.19   97.845   58.995   0.8584   59.299   0.8500 -0.3035545 1.208061 
1 1 1  -16   17   10 o   22.551   0.7405  494.086   32.126  585.453   46.426  410.134   44.502   24.553   0.9740   20.549   1.1156 4.004339 1.481017 
1 1 1  -16   17   11 o  100.829   1.0163  9801.25  189.061 10131.12  324.660  9631.98  232.562  102.084   1.6383   99.575   1.2032 2.509171 2.032676 
1 1 1  -16   17   12 o   92.901   1.0950  8379.65  197.278  8591.68  286.737  8189.07  271.845   94.014   1.5712   91.788   1.5257 2.225220 2.190063 
1 1 1  -16   17   13 o   12.553   1.9635  158.892   38.882  149.601   88.230  161.131   43.315   12.233   3.5237   12.872   1.7335 -0.6391544 3.927019 
1 1 1  -16   17   14 o   43.934   0.8496  1888.53   67.474  1838.61  118.853  1912.27   81.962   43.494   1.4077   44.373   0.9515 -0.8791046 1.699141 
1 1 1  -16   17   15 o   25.366   1.1416  622.198   47.220  632.288   99.086  619.233   53.711   25.485   2.0029   25.247   1.0959 0.2380524 2.283113 
1 1 1  -16   17   16 o  111.660   1.3677 12155.96  295.985 11733.37  425.745 12551.27  411.777  109.768   1.9981  113.553   1.8681 -3.784996 2.735331 
1 1 1  -16   17   17 o   88.504   1.0121  7601.67  160.375  7657.08  289.975  7577.25  192.495   88.703   1.6841   88.304   1.1230 0.3986664 2.024136 
1 1 1  -16   17   18 o   24.134   1.3614  655.347   45.446  446.224  105.635  702.845   50.344   21.370   2.5465   26.897   0.9642 -5.526814 2.722892 
1 1 1  -16   17   19 o  101.252   1.1302 10019.58  207.316  9864.40  364.695 10093.67  251.993  100.618   1.8672  101.886   1.2741 -1.267967 2.260478 
1 1 1  -16   17   20 o   51.057   0.7815  2553.43   70.195  2487.93  129.757  2580.53   83.462   50.574   1.3217   51.540   0.8342 -0.9666023 1.562967 
1 1 1  -16   17   21 o   60.930   0.8701  3678.25   92.974  3454.37  171.064  3772.11  110.761   59.558   1.4796   62.301   0.9159 -2.743057 1.740136 
1 1 1  -16   17   22 o   16.530   1.7303  289.498   45.268  240.789   89.292  306.347   52.517   15.337   3.1058   17.724   1.5264 -2.387322 3.460636 
1 1 1  -16   17   23 o   49.505   0.9099  2479.69   76.177  2200.14  146.147  2583.98   89.262   47.463   1.5862   51.546   0.8921 -4.083099 1.819872 
1 1 1  -16   17   24 o   30.967   1.1260  937.588   55.938  939.055  119.515  937.176   63.299   30.915   1.9916   31.020   1.0512 -0.1058216 2.251966 
1 1 1  -16   17   25 o   18.931   1.7754  409.583   49.565  279.832  100.568  451.212   56.964   16.379   3.2775   21.484   1.3659 -5.104324 3.550703 
1 1 1  -16   17   26 o   40.151   1.0403  1572.79   80.714  1486.55  108.124  1681.33  121.302   38.927   1.4309   41.374   1.5103 -2.446804 2.080510 
1 1 1  -16   17   27 o   20.258   1.8077  414.982   70.866  420.896   96.964  408.201  103.826   20.447   2.4429   20.068   2.6652 0.3791142 3.615418 
1 1 1  -16   17   28 o   23.070   1.5154  536.838   61.102  539.972   72.399  529.079  113.910   23.361   1.5965   22.779   2.5761 0.5821171 3.030709 
1 1 1  -16   17   29 o   19.624   2.5585  451.030   90.718  302.313  140.271  557.953  118.940   15.996   4.3861   23.251   2.6352 -7.254916 5.116903 
1 1 1  -16   17   30 o   10.540   2.9905   99.330   93.031   88.681  141.103  107.519  123.733   10.485   4.3117   10.594   4.1450 -0.1090593 5.980931 
1 1 1  -16   18    1 o   16.668   1.1294  269.379   36.360  264.206   48.818  275.823   54.490   16.490   1.5251   16.846   1.6663 -0.3567848 2.258866 
1 1 1  -16   18    2 o   83.943   0.7399  6842.71  120.465  6841.02  167.038  6844.55  173.895   83.933   1.0252   83.953   1.0671 -0.1993561E-01 1.479758 
1 1 1  -16   18    3 o   52.143   0.5872  2635.87   59.355  2571.36   81.423  2709.02   86.708   51.463   0.8151   52.822   0.8456 -1.358986 1.174481 
1 1 1  -16   18    4 f   38.774   0.5894  1457.37   44.318  1410.79   60.989  1509.48   64.511   38.119   0.8242   39.430   0.8428 -1.310356 1.178863 
1 1 1  -16   18    5 o   86.065   0.7512  7195.57  125.458  7302.64  175.898  7084.69  178.992   86.718   1.0449   85.412   1.0796 1.305374 1.502445 
1 1 1  -16   18    6 o   71.436   0.6704  4956.30   92.936  5065.25  131.092  4846.22  131.775   72.225   0.9350   70.646   0.9609 1.579666 1.340747 
1 1 1  -16   18    7 o  162.759   1.1495 25735.18  361.817 25636.42  490.437 25853.13  535.962  162.426   1.5555  163.093   1.6929 -0.6672668 2.299013 
1 1 1  -16   18    8 o   34.107   0.5733  1128.59   37.936  1074.05   52.914  1186.28   54.417   33.260   0.8196   34.955   0.8020 -1.694679 1.146672 
1 1 1  -16   18    9 o   82.719   0.7366  6644.38  118.264  6713.12  168.395  6577.48  166.130   83.141   1.0434   82.297   1.0399 0.8440628 1.473124 
1 1 1  -16   18   10 o  130.075   1.0209 16441.55  257.752 16367.19  362.320 16517.73  366.752  129.778   1.4382  130.372   1.4492 -0.5942230 2.041717 
1 1 1  -16   18   11 f   50.104   0.7654  2460.44   67.126  2387.07  125.029  2490.16   79.566   49.567   1.2994   50.642   0.8094 -1.074936 1.530889 
1 1 1  -16   18   12 o   55.884   0.8263  3044.08   88.157  2975.16  136.919  3092.89  115.217   55.337   1.2746   56.430   1.0518 -1.093502 1.652563 
1 1 1  -16   18   13 o   32.561   0.9319  1039.87   49.699  1012.29  102.540  1048.34   56.819   32.266   1.6371   32.856   0.8909 -0.5900726 1.863808 
1 1 1  -16   18   14 o   15.402   1.8248  246.413   41.617  218.431   92.699  253.476   46.575   14.656   3.3335   16.148   1.4858 -1.491644 3.649694 
1 1 1  -16   18   15 o   98.881   1.2418  9518.49  237.951  9400.27  345.642  9625.00  328.072   98.289   1.8116   99.472   1.6990 -1.183052 2.483655 
1 1 1  -16   18   16 o   59.176   0.9085  3391.48  101.696  3457.83  164.057  3350.07  129.599   59.635   1.4172   58.717   1.1370 0.9180832 1.816953 
1 1 1  -16   18   17 o   31.276   1.0566  1027.19   46.089  844.568  112.107  1064.33   50.559   29.446   1.9613   33.105   0.7867 -3.658937 2.113182 
1 1 1  -16   18   18 o   31.933   0.9949  977.992   46.163  1013.01  113.396  971.036   50.541   32.248   1.8115   31.618   0.8235 0.6296577 1.989848 
1 1 1  -16   18   19 o   41.706   0.8800  1682.92   68.171  1719.43  115.034  1663.15   84.634   42.042   1.4095   41.369   1.0539 0.6733589 1.759976 
1 1 1  -16   18   20 o   48.465   0.8180  2271.65   67.449  2308.88  132.964  2258.75   78.266   48.711   1.4062   48.219   0.8362 0.4917984 1.636009 
1 1 1  -16   18   21 o   39.064   0.9358  1580.31   59.344  1311.17  118.633  1670.13   68.535   36.671   1.6666   41.457   0.8516 -4.786133 1.871539 
1 1 1  -16   18   22 o   54.504   0.8636  2957.85   81.099  2748.93  153.129  3039.29   95.609   53.095   1.4857   55.913   0.8809 -2.818260 1.727251 
1 1 1  -16   18   23 o   53.982   0.8414  2849.03   79.729  2814.88  148.413  2862.89   94.527   53.711   1.4235   54.253   0.8976 -0.5423279 1.682807 
1 1 1  -16   18   24 o   8.5520   2.3135   56.131   48.275   7.2558  108.089   68.310   53.955   8.6290   3.6749   8.4751   2.8113 0.1538763 4.626917 
1 1 1  -16   18   25 o   12.956   2.2910  164.153   49.572  196.210  107.864  155.569   55.816   13.602   3.8895   12.309   2.4222 1.293171 4.582089 
1 1 1  -16   18   26 o   20.560   1.8038  422.400   71.477  498.103  105.219  357.527   97.402   22.293   2.4314   18.827   2.6651 3.465837 3.607563 
1 1 1  -16   18   27 o   17.768   2.1804  337.312   71.567  418.492   99.371  249.826  103.158   20.362   2.5140   15.173   3.5631 5.188722 4.360765 
1 1 1  -16   18   28 o   17.007   2.3901  329.167   76.024  428.436  102.164  205.992  113.803   20.483   2.5695   13.532   4.0310 6.950708 4.780273 
1 1 1  -16   18   29 o   13.828   2.9226  192.389   87.512  353.558  144.637   99.314  109.914   17.329   4.3160   10.327   3.9418 7.001638 5.845166 
1 1 1  -16   18   30 o   24.926   2.0951  662.246   99.852  679.609  155.525  650.069  130.241   25.007   3.2039   24.845   2.7005 0.1619473 4.190172 
1 1 1  -16   19    1 o   36.866   0.6395  1316.85   45.497  1294.65   60.892  1344.92   68.456   36.516   0.8590   37.216   0.9476 -0.7007713 1.278996 
1 1 1  -16   19    2 o   70.650   0.6711  4847.55   91.954  4867.62  127.575  4825.85  132.658   70.803   0.9282   70.497   0.9694 0.3058395 1.342129 
1 1 1  -16   19    3 o   31.987   0.6503  992.335   40.141  983.115   53.807  1003.91   60.280   31.820   0.8711   32.154   0.9658 -0.3333416 1.300598 
1 1 1  -16   19    4 o   69.319   0.6650  4663.70   89.372  4624.27  123.179  4707.53  129.869   69.010   0.9195   69.627   0.9609 -0.6171188 1.329945 
1 1 1  -16   19    5 o   53.243   0.5837  2752.31   60.331  2742.60   84.957  2762.20   85.689   53.149   0.8235   53.338   0.8276 -0.1894188 1.167484 
1 1 1  -16   19    6 o   37.884   0.5629  1391.51   41.345  1357.34   56.838  1429.91   60.252   37.390   0.7831   38.377   0.8088 -0.9862099 1.125782 
1 1 1  -16   19    7 o   34.945   0.8833  1228.78   50.097  1266.41   57.399  1108.48  102.635   36.116   0.8187   33.774   1.5655 2.341881 1.766656 
1 1 1  -16   19    8 f   97.897   0.8232  9312.82  156.353  9474.57  218.927  9144.44  223.373   98.767   1.1419   97.028   1.1860 1.738594 1.646327 
1 1 1  -16   19    9 o   65.555   0.8231  4182.28   96.065  4194.32  114.970  4154.41  174.857   65.722   0.9012   65.388   1.3776 0.3342133 1.646174 
1 1 1  -16   19   10 o  150.334   1.1784 21980.02  343.479 21814.64  497.142 22131.05  475.112  149.786   1.7098  150.882   1.6222 -1.095764 2.356865 
1 1 1  -16   19   11 f   32.961   0.8326  1032.00   43.781  1096.71   95.788  1014.92   49.223   33.592   1.4690   32.331   0.7843 1.261463 1.665231 
1 1 1  -16   19   12 o   18.602   1.3316  354.881   38.387  306.491   82.765  368.143   43.330   17.737   2.4038   19.467   1.1466 -1.730167 2.663266 
1 1 1  -16   19   13 o   61.328   0.8911  3657.04  104.014  3641.53  163.928  3667.49  134.574   61.213   1.3796   61.444   1.1283 -0.2310677 1.782206 
1 1 1  -16   19   14 o   73.834   0.9990  5285.18  141.735  5393.79  217.429  5204.93  186.904   74.485   1.5038   73.184   1.3156 1.301392 1.998066 
1 1 1  -16   19   15 o   27.404   1.0811  718.250   46.915  751.105  103.260  709.704   52.664   27.778   1.9150   27.030   1.0037 0.7477379 2.162101 
1 1 1  -16   19   16 o   93.403   1.0536  8498.84  176.752  8448.36  316.707  8521.67  213.011   93.165   1.7512   93.641   1.1718 -0.4767456 2.107128 
1 1 1  -16   19   17 o   43.262   0.8307  1833.42   55.320  1795.21  124.453  1842.82   61.756   42.962   1.4923   43.563   0.7303 -0.6008453 1.661419 
1 1 1  -16   19   18 o   70.727   0.8840  4831.50  108.748  4936.39  207.277  4791.67  127.741   71.225   1.4992   70.228   0.9370 0.9975052 1.767921 
1 1 1  -16   19   19 o   13.725   2.0263  204.740   40.136  159.718   98.787  213.641   43.925   12.634   3.7538   14.816   1.5273 -2.181411 4.052591 
1 1 1  -16   19   20 o   10.404   1.9736  131.895   42.325 -37.5502  106.955  163.358   46.088   7.8642   3.4951   12.944   1.8342 -5.079551 3.947172 
1 1 1  -16   19   21 o   58.521   0.8241  3289.87   83.288  3424.46  161.287  3240.93   97.259   59.295   1.4012   57.747   0.8676 1.548573 1.648117 
1 1 1  -16   19   22 o   46.892   0.8972  2212.46   70.233  2002.40  138.164  2285.65   81.556   45.298   1.5713   48.487   0.8665 -3.189499 1.794356 
1 1 1  -16   19   23 o   28.863   1.0303  824.768   50.032  790.213   98.735  836.707   58.035   28.407   1.7905   29.319   1.0197 -0.9112625 2.060508 
1 1 1  -16   19   24 o   40.560   0.8884  1595.17   60.856  1625.65  121.321  1584.92   70.345   40.765   1.5331   40.355   0.8980 0.4102478 1.776763 
1 1 1  -16   19   25 o   11.247   2.2848  141.855   49.721   71.924  108.826  160.303   55.896   9.9970   3.8939   12.497   2.3913 -2.499935 4.569555 
1 1 1  -16   19   26 o   9.0859   2.4209  -1.5911   70.319  160.243  106.275 -127.6205   93.785   12.306   3.9362   5.8660   2.8195 6.439627 4.841789 
1 1 1  -16   19   27 o   17.508   2.2399  327.442   73.207  263.893  106.576  384.213  100.732   15.569   3.5986   19.448   2.6682 -3.879559 4.479869 
1 1 1  -16   19   28 o   26.707   1.5388  719.539   79.713  709.232  114.509  729.231  111.032   26.498   2.2262   26.916   2.1251 -0.4177303 3.077600 
1 1 1  -16   19   29 o   27.887   1.3100  763.062   67.601  725.848   82.979  836.502  116.568   27.020   1.5820   28.755   2.0884 -1.734322 2.619946 
1 1 1  -16   19   30 f   19.894   2.5292  432.077   93.955  586.505  147.383  326.353  121.947   23.128   3.2828   16.660   3.8483 6.468102 5.058322 
1 1 1  -16   20    1 o  120.507   0.9503 14102.79  221.964 14025.68  305.333 14189.22  323.239  120.160   1.3090  120.853   1.3778 -0.6930237 1.900525 
1 1 1  -16   20    2 o   66.630   0.6466  4304.27   83.543  4178.22  114.978  4445.24  121.595   65.598   0.9029   67.661   0.9258 -2.062958 1.293205 
1 1 1  -16   20    3 o   17.779   1.0573  314.541   35.472  347.794   46.662  269.018   54.596   18.922   1.2704   16.637   1.6906 2.285442 2.114666 
1 1 1  -16   20    4 o   27.385   0.7176  732.562   37.608  756.048   49.658  700.974   57.590   27.904   0.9168   26.866   1.1043 1.038048 1.435231 
1 1 1  -16   20    5 o   96.912   0.8205  9114.52  154.174  8977.58  212.407  9267.00  224.136   96.144   1.1381   97.679   1.1821 -1.534950 1.640904 
1 1 1  -16   20    6 o   52.486   0.5830  2674.71   59.404  2669.07   83.876  2680.40   84.144   52.431   0.8241   52.542   0.8250 -0.1111679 1.166097 
1 1 1  -16   20    7 o   95.743   0.8080  8903.37  150.055  8904.52  208.036  8902.12  216.644   95.751   1.1193   95.735   1.1658 0.1566315E-01 1.616096 
1 1 1  -16   20    8 o   23.367   0.6978  529.497   31.594  542.518   46.300  518.150   43.221   23.635   1.0092   23.099   0.9639 0.5362911 1.395531 
1 1 1  -16   20    9 o  169.113   1.2193 27825.04  396.120 27926.09  524.348 27690.69  604.576  169.493   1.5937  168.733   1.8458 0.7601776 2.438604 
1 1 1  -16   20   10 o   44.727   0.7779  1972.84   58.242  1884.21  115.843  2002.82   67.376   44.035   1.3552   45.418   0.7642 -1.382313 1.555827 
1 1 1  -16   20   11 o   14.914   1.5493  250.143   33.602  173.403   70.798  272.456   38.176   13.080   2.8674   16.747   1.1743 -3.667162 3.098569 
1 1 1  -16   20   12 o  100.755   1.2288  9873.77  240.284  9817.20  342.713  9928.46  336.987  100.469   1.7572  101.041   1.7181 -0.5722733 2.457600 
1 1 1  -16   20   13 f   65.648   0.9298  4184.63  116.167  4205.04  183.551  4170.99  150.040   65.773   1.4376   65.522   1.1796 0.2512054 1.859651 
1 1 1  -16   20   14 o   62.579   0.9063  3803.77  107.878  3815.32  170.626  3796.07  139.239   62.650   1.4030   62.508   1.1475 0.1427994 1.812518 
1 1 1  -16   20   15 o   84.044   0.9716  6903.81  145.388  6772.57  263.738  6961.10  174.256   83.439   1.6283   84.648   1.0605 -1.208054 1.943203 
1 1 1  -16   20   16 o  101.627   1.1345 10021.02  206.668 10120.04  373.100  9977.19  248.229  101.942   1.8854  101.313   1.2622 0.6294708 2.268902 
1 1 1  -16   20   17 f   43.707   0.8531  1897.10   56.222  1793.36  128.771  1921.53   62.493   42.932   1.5451   44.483   0.7237 -1.550091 1.706234 
1 1 1  -16   20   18 o   37.127   0.8889  1337.94   49.789  1343.84  115.711  1336.61   55.156   37.156   1.6043   37.097   0.7659 0.5912018E-01 1.777714 
1 1 1  -16   20   19 o   52.856   0.7908  2751.97   72.296  2635.50  136.802  2797.10   85.159   52.050   1.3540   53.661   0.8175 -1.610458 1.581626 
1 1 1  -16   20   20 o   34.333   1.0060  1145.52   52.329  1150.62  120.925  1144.34   58.045   34.349   1.8136   34.318   0.8713 0.3118896E-01 2.012026 
1 1 1  -16   20   21 o   9.0662   2.2749   68.207   41.819   66.107   99.648   68.656   46.072   9.7693   3.7474   8.3632   2.5803 1.406057 4.549835 
1 1 1  -16   20   22 o   9.6104   2.4362   66.914   45.937  109.341  112.691   58.459   50.306   11.233   4.0458   7.9880   2.7150 3.244761 4.872346 
1 1 1  -16   20   23 o   8.7534   2.3476   39.364   43.172  105.558  106.508   26.350   47.226   10.944   3.9341   6.5628   2.5627 4.381179 4.695163 
1 1 1  -16   20   24 o   25.389   1.1094  625.888   47.546  641.668   94.942  620.606   54.931   25.547   1.9145   25.231   1.1216 0.3167458 2.218799 
1 1 1  -16   20   25 o   27.595   1.0794  771.859   50.252  696.887   97.078  799.302   58.734   26.570   1.8822   28.620   1.0572 -2.050039 2.158753 
1 1 1  -16   20   26 o   33.208   1.1911  1095.60   76.234  963.479  109.074  1221.79  106.592   31.198   1.8010   35.218   1.5592 -4.020155 2.382166 
1 1 1  -16   20   27 o   14.047   2.5416  216.415   69.722  199.544   99.822  232.485   97.424   13.481   3.7016   14.613   3.4837 -1.131454 5.083105 
1 1 1  -16   20   28 o   17.244   2.1737  316.280   71.041  295.220  101.284  336.674   99.671   16.474   3.2826   18.014   2.8504 -1.539953 4.347396 
1 1 1  -16   20   29 o   22.858   1.5452  549.349   60.887  574.375   72.420  489.000  112.459   24.036   1.5521   21.679   2.6723 2.357342 3.090364 
1 1 1  -16   20   30 o   11.636   3.0949  142.980   92.068  199.229  153.264  111.221  115.163   12.800   4.7018   10.472   4.0258 2.328571 6.189810 
1 1 1  -16   21    1 o   27.020   0.7515  707.423   39.363  659.696   54.348  760.086   57.089   26.063   1.0742   27.976   1.0512 -1.913242 1.503007 
1 1 1  -16   21    2 o   53.194   0.6130  2743.34   63.146  2692.47   85.989  2802.90   93.031   52.660   0.8412   53.728   0.8920 -1.067883 1.226080 
1 1 1  -16   21    3 o  177.864   1.2270 30730.81  421.090 30560.89  564.684 30943.65  632.008  177.325   1.6405  178.403   1.8250 -1.078094 2.453915 
1 1 1  -16   21    4 o   68.640   0.6696  4571.63   89.172  4473.04  123.755  4678.08  128.600   67.871   0.9393   69.409   0.9545 -1.537651 1.339153 
1 1 1  -16   21    5 o   49.871   0.5871  2415.92   56.811  2459.17   79.564  2370.94   81.146   50.327   0.8144   49.415   0.8459 0.9117508 1.174268 
1 1 1  -16   21    6 o  106.182   0.8787 10950.62  180.887 10917.62  249.406 10987.23  262.740  106.016   1.2119  106.349   1.2727 -0.3329926 1.757421 
1 1 1  -16   21    7 f  136.639   1.0476 18126.92  277.033 17927.20  376.460 18362.84  409.145  135.825   1.4278  137.453   1.5334 -1.627823 2.095240 
1 1 1  -16   21    8 o   68.420   0.6541  4535.57   86.737  4369.23  118.688  4726.23  127.070   67.077   0.9115   69.763   0.9383 -2.685516 1.308175 
1 1 1  -16   21    9 o   89.542   0.7787  7788.11  135.303  7803.77  188.965  7771.64  193.824   89.635   1.0860   89.449   1.1163 0.1865311 1.557400 
1 1 1  -16   21   10 o   45.171   0.7819  1999.20   58.461  1948.83  118.851  2015.28   67.146   44.783   1.3672   45.559   0.7592 -0.7755051 1.563836 
1 1 1  -16   21   11 o   22.166   1.0673  484.340   34.823  467.297   82.689  488.014   38.394   21.915   1.9437   22.418   0.8823 -0.5023232 2.134588 
1 1 1  -16   21   12 o   47.585   0.8313  2182.26   71.278  2246.84  128.098  2153.30   85.784   48.083   1.3724   47.087   0.9385 0.9953308 1.662633 
1 1 1  -16   21   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   21   14 o   44.191   0.8747  1944.46   68.110  1784.54  123.559  2014.26   81.632   42.842   1.4857   45.540   0.9234 -2.698357 1.749327 
1 1 1  -16   21   15 f   41.389   0.9247  1692.78   68.918  1590.31  121.108  1741.85   83.812   40.435   1.5430   42.343   1.0197 -1.908482 1.849442 
1 1 1  -16   21   16 o   46.488   0.8341  2055.16   57.362  2170.46  138.438  2031.26   63.028   47.239   1.5097   45.737   0.7099 1.502506 1.668273 
1 1 1  -16   21   17 o   42.885   0.8709  1835.25   56.283  1713.56  128.588  1864.09   62.598   41.960   1.5787   43.811   0.7361 -1.851624 1.741872 
1 1 1  -16   21   18 o   41.977   0.8004  1740.26   54.032  1663.44  113.840  1762.60   61.387   41.352   1.4182   42.601   0.7423 -1.249664 1.600712 
1 1 1  -16   21   19 o   25.330   1.1886  622.079   41.401  629.120  108.137  620.869   44.816   25.381   2.1948   25.278   0.9133 0.1026402 2.377258 
1 1 1  -16   21   20 o   43.154   0.8821  1862.74   59.830  1725.56  129.005  1900.33   67.533   42.082   1.5792   44.227   0.7866 -2.144722 1.764290 
1 1 1  -16   21   21 o   8.2707   2.0947   62.049   39.912 -26.1625   99.109   79.123   43.604   7.6982   3.3956   8.8431   2.4537 -1.144922 4.189367 
1 1 1  -16   21   22 f   35.514   0.9743  1271.45   54.186  1159.50  116.840  1302.13   61.160   34.434   1.7480   36.594   0.8610 -2.160656 1.948553 
1 1 1  -16   21   23 o   30.385   1.1556  899.428   52.050  909.812  123.750  897.196   57.371   30.411   2.0963   30.359   0.9735 0.5194473E-01 2.311277 
1 1 1  -16   21   24 o   6.7897   2.0463   5.8788   46.061 -119.6515  104.433   36.196   51.322   6.4890   3.0787   7.0904   2.6966 -0.6013665 4.092690 
1 1 1  -16   21   25 o   10.364   2.1724  110.686   43.551  102.120   85.424  113.694   50.625   10.274   3.5370   10.454   2.5235 -0.1796761 4.344895 
1 1 1  -16   21   26 o   10.806   2.5229  119.586   61.427  115.715   84.868  123.845   89.022   10.646   3.5256   10.965   3.6098 -0.3195181 5.045816 
1 1 1  -16   21   27 o   12.374   2.5412  161.788   66.843  228.240   98.480  105.023   91.021   14.427   3.5424   10.320   3.6446 4.106691 5.082487 
1 1 1  -16   21   28 o   10.252   2.4902   96.712   63.966   33.552   87.534  169.089   93.704   8.1811   3.3834   12.323   3.6547 -4.141575 4.980382 
1 1 1  -16   21   29 o   18.090   2.0459  356.896   65.529  375.122   81.513  323.594  110.180   19.182   2.1891   16.998   3.4569 2.183607 4.091753 
1 1 1  -16   22    1 o  145.433   1.0931 20532.71  307.758 20241.96  418.719 20874.33  453.874  144.321   1.4946  146.545   1.5955 -2.223923 2.186203 
1 1 1  -16   22    2 o   76.824   0.7065  5732.65  105.314  5773.08  147.208  5690.28  150.729   77.102   0.9836   76.546   1.0144 0.5562210 1.412931 
1 1 1  -16   22    3 o   43.160   0.5998  1806.77   50.126  1781.81   68.335  1835.86   73.754   42.838   0.8218   43.482   0.8738 -0.6438103 1.199505 
1 1 1  -16   22    4 o   80.782   0.7231  6337.86  113.285  6345.64  156.798  6329.36  163.853   80.835   0.9993   80.729   1.0456 0.1059494 1.446296 
1 1 1  -16   22    5 o  148.204   1.0914 21350.47  313.177 21382.88  428.078 21313.15  459.377  148.333   1.4867  148.076   1.5982 0.2567749 2.182737 
1 1 1  -16   22    6 o   61.902   0.8013  3685.52   86.614  3639.51  101.883  3805.46  164.491   61.222   0.8573   62.582   1.3540 -1.359631 1.602606 
1 1 1  -16   22    7 o  104.952   0.8761 10699.77  178.381 10669.30  247.726 10732.57  257.071  104.799   1.2177  105.105   1.2600 -0.3069382 1.752257 
1 1 1  -16   22    8 o  131.968   1.0412 16923.01  266.681 16766.69  373.448 17085.67  380.951  131.347   1.4647  132.589   1.4801 -1.241699 2.082318 
1 1 1  -16   22    9 o   72.705   0.6910  5129.15   97.473  4986.24  135.323  5283.24  140.518   71.654   0.9729   73.757   0.9814 -2.102791 1.381937 
1 1 1  -16   22   10 o   60.362   0.7999  3514.23   85.624  3601.00  158.153  3478.25  101.841   60.876   1.3383   59.849   0.8766 1.026905 1.599872 
1 1 1  -16   22   11 o  114.102   1.2395 12662.72  258.099 12661.89  449.500 12663.14  315.247  114.059   2.0302  114.145   1.4227 -0.8598328E-01 2.479082 
1 1 1  -16   22   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   22   13 o   92.236   1.1868  8242.29  211.345  8575.79  318.348  7979.48  282.607   93.889   1.7467   90.582   1.6072 3.306969 2.373634 
1 1 1  -16   22   14 o  153.105   1.6341 22845.94  456.700 22875.34  794.946 22831.46  557.971  153.062   2.6755  153.147   1.8769 -0.8532715E-01 3.268183 
1 1 1  -16   22   15 o   75.594   0.9120  5535.80  119.827  5598.22  228.116  5512.01  140.820   75.861   1.5491   75.327   0.9631 0.5344925 1.824032 
1 1 1  -16   22   16 o   17.731   1.5466  267.410   33.077  359.773  107.618  257.774   34.759   19.175   2.8912   16.287   1.0994 2.887987 3.093176 
1 1 1  -16   22   17 o   54.094   0.8109  2863.94   71.500  2808.04  148.800  2880.72   81.528   53.726   1.4268   54.461   0.7712 -0.7351341 1.621843 
1 1 1  -16   22   18 o   80.269   0.9491  6276.34  134.837  6244.08  248.025  6289.88  160.651   80.087   1.5954   80.451   1.0287 -0.3636856 1.898283 
1 1 1  -16   22   19 o   18.877   1.9744  478.055   40.496  220.441  110.084  518.371   43.549   14.658   3.8274   23.095   0.9714 -8.437036 3.948752 
1 1 1  -16   22   20 o   15.256   1.6801  174.833   39.210  326.299  100.685  147.755   42.571   18.208   2.8487   12.304   1.7823 5.903455 3.360283 
1 1 1  -16   22   21 f   35.737   0.9906  1248.51   51.641  1239.21  124.834  1250.42   56.722   35.607   1.8061   35.868   0.8147 -0.2603874 1.981300 
1 1 1  -16   22   22 o   32.662   0.9954  1058.05   49.235  1013.24  112.395  1068.68   54.769   32.172   1.7997   33.151   0.8511 -0.9780960 1.990784 
1 1 1  -16   22   23 o   38.976   0.9330  1467.81   56.575  1507.85  126.885  1457.88   63.205   39.240   1.6658   38.712   0.8411 0.5279617 1.866057 
1 1 1  -16   22   24 o   9.9401   2.2872  102.561   46.118   33.954  112.383  116.454   50.572   9.2667   3.8331   10.613   2.4965 -1.346710 4.574359 
1 1 1  -16   22   25 o   25.967   1.2667  679.923   51.562  641.166  111.670  690.425   58.129   25.353   2.2691   26.580   1.1266 -1.227631 2.533350 
1 1 1  -16   22   26 o   8.2373   2.4580   16.430   67.427   38.503   99.279  -2.4690   91.865   8.8096   3.6190   7.6651   3.3272 1.144449 4.916018 
1 1 1  -16   22   27 o   24.616   1.4973  604.859   71.256  645.834  106.767  571.949   95.683   25.343   2.1703   23.889   2.0633 1.453728 2.994557 
1 1 1  -16   22   28 o   18.317   2.1832  371.686   72.595  252.201  105.509  479.099  100.038   14.967   3.6617   21.667   2.3784 -6.700596 4.366317 
1 1 1  -16   22   29 o   10.868   2.5558  132.254   63.424  149.546   80.287  103.552  103.438   11.531   3.3729   10.206   3.8407 1.325337 5.111522 
1 1 1  -16   23    1 o   32.756   0.6716  1039.87   42.635  1007.11   58.327  1077.46   62.476   32.204   0.9330   33.309   0.9662 -1.105019 1.343201 
1 1 1  -16   23    2 o  165.646   1.2130 26680.56  389.882 26740.90  544.050 26616.86  559.006  165.843   1.6900  165.450   1.7405 0.3936920 2.425994 
1 1 1  -16   23    3 o  120.520   0.9522 14089.69  222.235 13789.78  302.705 14440.34  327.311  119.135   1.3089  121.905   1.3832 -2.770523 1.904319 
1 1 1  -16   23    4 o  144.909   1.0744 20403.54  301.398 20331.21  410.884 20487.80  443.459  144.639   1.4634  145.180   1.5736 -0.5413361 2.148879 
1 1 1  -16   23    5 o   16.431   1.0582  258.593   33.347  208.367   44.550  322.598   50.290   14.641   1.5675   18.220   1.4219 -3.578869 2.116327 
1 1 1  -16   23    6 o   40.171   0.5797  1567.84   45.175  1613.32   63.454  1521.09   64.329   40.762   0.8019   39.579   0.8373 1.182911 1.159366 
1 1 1  -16   23    7 o   88.790   0.7856  7656.16  135.358  7604.07  188.695  7711.38  194.276   88.480   1.0986   89.101   1.1232 -0.6206512 1.571196 
1 1 1  -16   23    8 o   27.227   0.6229  719.832   32.901  718.884   45.734  720.849   47.365   27.209   0.8659   27.246   0.8956 -0.3672409E-01 1.245721 
1 1 1  -16   23    9 o   12.079   1.1781  142.376   27.520  150.328   38.046  133.651   39.855   12.435   1.5761   11.723   1.7514 0.7122173 2.356153 
1 1 1  -16   23   10 o   50.058   0.7885  2427.93   66.914  2446.92  132.375  2421.41   77.551   50.179   1.3590   49.937   0.8000 0.2421989 1.576982 
1 1 1  -16   23   11 o   70.615   1.0533  4844.85  144.224  4797.52  198.848  4897.38  209.496   70.253   1.4581   70.976   1.5205 -0.7228165 2.106676 
1 1 1  -16   23   12 o  102.769   1.2987 10267.20  258.639 10428.60  378.207 10125.41  354.486  103.521   1.8821  102.017   1.7900 1.503189 2.597389 
1 1 1  -16   23   13 o   60.474   0.9123  3563.72  103.349  3517.62  169.568  3590.96  130.360   60.151   1.4522   60.796   1.1046 -0.6452637 1.824579 
1 1 1  -16   23   14 o   25.475   1.1361  637.972   32.638  623.279  106.294  639.501   34.295   25.287   2.1654   25.663   0.6884 -0.3758411 2.272207 
1 1 1  -16   23   15 f   27.444   1.1413  824.975   34.837  625.493  107.714  848.279   36.816   25.330   2.1906   29.558   0.6417 -4.227558 2.282685 
1 1 1  -16   23   16 o   62.416   0.8451  3780.94   87.122  3798.71  178.987  3775.43   99.735   62.487   1.4756   62.346   0.8241 0.1413727 1.690120 
1 1 1  -16   23   17 o   54.785   0.7956  2869.81   71.115  3005.02  150.214  2830.75   80.736   55.582   1.3922   53.987   0.7704 1.595463 1.591153 
1 1 1  -16   23   18 o  103.220   1.1399 10355.13  212.194 10426.33  378.534 10322.51  256.240  103.417   1.8856  103.022   1.2813 0.3940582 2.279739 
1 1 1  -16   23   19 o   32.230   1.0305  1019.89   45.931  999.164  118.223  1023.58   49.847   32.001   1.9032   32.460   0.7911 -0.4587326 2.061023 
1 1 1  -16   23   20 o   25.507   1.1794  627.219   42.160  645.820  108.041  623.877   45.790   25.681   2.1673   25.332   0.9312 0.3484764 2.358860 
1 1 1  -16   23   21 o   14.315   2.0474  161.870   40.302  281.008  114.144  144.902   43.076   16.458   3.6666   12.172   1.8230 4.285841 4.094833 
1 1 1  -16   23   22 o   42.654   0.8792  1812.58   59.012  1706.95  127.510  1841.37   66.571   41.790   1.5718   43.518   0.7880 -1.727825 1.758307 
1 1 1  -16   23   23 o   37.102   0.8789  1369.64   52.594  1295.09  109.955  1391.75   59.889   36.380   1.5570   37.825   0.8157 -1.445103 1.757721 
1 1 1  -16   23   24 o   47.809   0.8684  2218.52   68.612  2262.25  141.223  2205.01   78.499   48.032   1.5146   47.587   0.8498 0.4452362 1.736746 
1 1 1  -16   23   25 o   22.625   1.3056  434.402   46.930  641.561  110.194  388.503   51.869   25.346   2.2397   19.904   1.3425 5.442102 2.611211 
1 1 1  -16   23   26 o   8.2152   2.3335   35.254   44.786   68.794  108.925   28.431   49.131   9.7812   3.8697   6.6492   2.6090 3.131980 4.667060 
1 1 1  -16   23   27 o   9.8969   2.6104   87.538   69.644   36.009  108.041  124.171   91.096   8.9180   3.7292   10.876   3.6538 -1.957802 5.220839 
1 1 1  -16   23   28 o   9.6084   2.6506   77.651   71.766   57.842  106.994   93.851   96.761   9.2705   3.7766   9.9463   3.7202 -0.6758289 5.301230 
1 1 1  -16   23   29 o   10.346   2.6539  103.789   71.766   46.797   98.734  167.629  104.497   8.6738   3.5907   12.018   3.9088 -3.344182 5.307720 
1 1 1  -16   24    1 o   48.602   0.5988  2293.41   56.362  2289.18   77.050  2298.27   82.661   48.555   0.8175   48.650   0.8753 -0.9483719E-01 1.197669 
1 1 1  -16   24    2 o  102.414   0.8664 10189.57  172.134 10193.05  239.265 10185.83  247.830  102.434   1.2033  102.394   1.2469 0.3959656E-01 1.732786 
1 1 1  -16   24    3 o  108.571   0.9091 11450.61  191.543 11381.34  267.123 11523.93  274.804  108.234   1.2714  108.908   1.2999 -0.6734619 1.818271 
1 1 1  -16   24    4 o  127.685   1.0116 15845.61  250.705 16081.18  353.804 15608.03  355.302  128.640   1.4168  126.730   1.4443 1.909630 2.023215 
1 1 1  -16   24    5 o   95.415   0.8219  8843.24  152.166  8834.30  212.221  8852.71  218.299   95.366   1.1464   95.463   1.1780 -0.9717560E-01 1.643748 
1 1 1  -16   24    6 o   85.420   0.7573  7086.44  125.539  7064.65  175.189  7109.43  179.985   85.286   1.0582   85.554   1.0838 -0.2684402 1.514691 
1 1 1  -16   24    7 o   53.608   0.5946  2789.94   61.855  2771.04   86.136  2810.07   88.882   53.421   0.8306   53.795   0.8511 -0.3744049 1.189288 
1 1 1  -16   24    8 o   85.076   0.7855  7025.50  129.659  6882.88  179.883  7179.72  187.058   84.178   1.1008   85.973   1.1209 -1.794807 1.571043 
1 1 1  -16   24    9 o   67.193   0.6577  4380.58   85.743  4264.64  118.872  4506.32  123.795   66.268   0.9241   68.119   0.9362 -1.851273 1.315453 
1 1 1  -16   24   10 o  121.839   1.3200 14545.93  295.807 14116.09  503.128 14773.00  365.688  120.405   2.1526  123.273   1.5282 -2.867439 2.639919 
1 1 1  -16   24   11 o   97.696   1.1015  9372.51  197.253  8995.18  336.925  9569.28  243.309   96.155   1.8051   99.236   1.2631 -3.080879 2.203086 
1 1 1  -16   24   12 o   82.762   1.0943  6653.76  174.684  6718.77  262.901  6602.37  233.744   83.116   1.6295   82.409   1.4612 0.7066803 2.188643 
1 1 1  -16   24   13 o  148.886   1.5974 21509.32  433.707 21898.33  759.590 21321.15  528.288  149.772   2.6127  148.001   1.8388 1.771072 3.194892 
1 1 1  -16   24   14 o   39.241   0.8432  1492.77   43.875  1501.81  119.615  1491.37   47.163   39.291   1.5683   39.192   0.6199 0.9877396E-01 1.686386 
1 1 1  -16   24   15 o   79.687   0.9406  6045.36  129.426  6455.06  252.246  5898.96  150.788   81.452   1.5954   77.923   0.9969 3.529678 1.881195 
1 1 1  -16   24   16 o   45.864   0.8201  1976.56   54.295  2148.05  136.053  1944.08   59.215   46.985   1.4917   44.743   0.6818 2.241863 1.640133 
1 1 1  -16   24   17 o   39.650   0.8014  1578.18   47.456  1450.22  109.219  1607.96   52.690   38.607   1.4573   40.692   0.6670 -2.084621 1.602748 
1 1 1  -16   24   18 o   33.210   0.9722  1054.17   42.208  1098.97  118.008  1047.60   45.198   33.578   1.8105   32.843   0.7089 0.7350540 1.944339 
1 1 1  -16   24   19 o   61.066   0.8448  3581.91   85.545  3715.77  176.114  3540.58   97.866   61.768   1.4688   60.364   0.8352 1.403843 1.689664 
1 1 1  -16   24   20 f   39.165   0.8560  1496.94   50.780  1487.39  117.055  1499.15   56.359   39.051   1.5442   39.279   0.7392 -0.2279167 1.711945 
1 1 1  -16   24   21 o   27.614   1.1046  737.810   42.294  754.084  109.579  734.962   45.847   27.734   2.0354   27.493   0.8590 0.2407608 2.209258 
1 1 1  -16   24   22 o   34.254   1.0045  1133.90   49.013  1163.33  122.986  1128.35   53.440   34.445   1.8394   34.062   0.8082 0.3822861 2.009100 
1 1 1  -16   24   23 o   10.624   2.0832   75.595   38.734  208.418   89.690   45.142   42.946   14.106   3.3291   7.1424   2.5051 6.963513 4.166309 
1 1 1  -16   24   24 o   6.7198   2.0697 -22.8085   41.486   45.102   92.385 -39.9613   46.430   8.8232   3.5396   4.6164   2.1460 4.206802 4.139343 
1 1 1  -16   24   25 o   14.095   2.0349  210.605   45.123  197.243   98.242  214.177   50.798   13.477   3.6605   14.713   1.7786 -1.236032 4.069717 
1 1 1  -16   24   26 o   39.504   0.9314  1562.47   60.369  1475.96  122.988  1589.93   69.290   38.643   1.6396   40.366   0.8843 -1.722900 1.862824 
1 1 1  -16   24   27 o   32.940   1.2702  1077.84   81.061  1173.92  118.402  993.075  111.210   34.327   1.7769   31.554   1.8156 2.772429 2.540435 
1 1 1  -16   24   28 o   8.1570   2.3726   16.841   66.308   88.883   89.622 -70.2868   98.561   9.6487   3.5860   6.6653   3.1078 2.983416 4.745288 
1 1 1  -16   24   29 o   12.685   2.6456  188.894   72.714  248.307  100.930  124.779  104.848   14.648   3.5799   10.722   3.8963 3.925848 5.291203 
1 1 1  -16   25    1 o  139.008   1.0972 18787.01  295.518 18847.22  406.133 18719.27  430.810  139.252   1.5025  138.765   1.5993 0.4864807 2.194371 
1 1 1  -16   25    2 o   51.393   0.6011  2560.84   59.864  2503.56   81.868  2626.67   87.759   50.777   0.8306   52.010   0.8693 -1.232426 1.202273 
1 1 1  -16   25    3 o   51.145   0.6066  2540.33   60.190  2548.56   83.709  2531.51   86.608   51.231   0.8417   51.059   0.8738 0.1725769 1.213291 
1 1 1  -16   25    4 o   86.614   0.7675  7289.08  128.951  7352.68  179.332  7220.99  185.557   87.007   1.0618   86.221   1.1087 0.7854309 1.535096 
1 1 1  -16   25    5 o  132.971   1.0613 17186.30  273.613 17201.51  377.840 17169.54  396.746  133.038   1.4631  132.905   1.5378 0.1329803 2.122616 
1 1 1  -16   25    6 o   19.039   0.8672  356.154   31.572  287.871   44.906  422.902   44.398   17.212   1.3440   20.866   1.0961 -3.653831 1.734337 
1 1 1  -16   25    7 o   29.842   0.6433  872.040   36.646  908.749   48.254  822.019   56.328   30.592   0.8126   29.093   0.9974 1.499571 1.286502 
1 1 1  -16   25    8 o   82.404   0.7663  6595.76  122.583  6635.04  173.586  6556.68  173.133   82.649   1.0820   82.159   1.0856 0.4896774 1.532687 
1 1 1  -16   25    9 o   88.410   0.8071  7589.95  138.443  7489.78  192.418  7697.45  199.342   87.806   1.1289   89.014   1.1537 -1.207253 1.614108 
1 1 1  -16   25   10 o   88.374   1.0093  7608.75  162.327  7541.23  283.612  7641.64  197.959   88.059   1.6592   88.689   1.1499 -0.6299515 2.018649 
1 1 1  -16   25   11 o   33.726   0.9284  1137.18   44.628  1059.07  109.330  1152.80   48.887   32.996   1.7069   34.456   0.7309 -1.460155 1.856806 
1 1 1  -16   25   12 o   97.787   1.0993  9324.33  194.787  9229.58  343.005  9369.42  236.648   97.385   1.8144   98.190   1.2416 -0.8049164 2.198572 
1 1 1  -16   25   13 o   34.585   0.9497  1251.20   37.151  1057.29  116.156  1273.30   39.210   32.955   1.8157   36.215   0.5578 -3.259842 1.899481 
1 1 1  -16   25   14 o   69.527   0.8968  4695.36  121.031   0.0000   0.0000  4695.36  121.031  ?   ?    69.527   0.8968      ?      ? 
1 1 1  -16   25   15 o  113.562   1.2499 12434.22  255.778 12894.03  460.263 12228.78  307.658  114.997   2.0618  112.126   1.4135 2.870453 2.499835 
1 1 1  -16   25   16 o  114.001   1.2510 12665.96  258.935 12635.30  455.087 12680.64  314.871  113.829   2.0596  114.174   1.4207 -0.3448410 2.502044 
1 1 1  -16   25   17 o   70.938   0.8711  4893.74  107.019  4892.21  204.319  4894.32  125.631   70.901   1.4845   70.976   0.9119 -0.7447052E-01 1.742215 
1 1 1  -16   25   18 o   41.206   0.9044  1657.34   50.830  1643.74  133.473  1659.65   54.973   41.073   1.6741   41.338   0.6851 -0.2648697 1.808808 
1 1 1  -16   25   19 o   17.323   1.6677  307.151   34.389  287.352   99.346  309.846   36.655   16.796   3.1631   17.849   1.0579 -1.053558 3.335338 
1 1 1  -16   25   20 o   28.159   1.1920  821.587   41.173  714.371  118.154  836.406   43.926   26.982   2.2559   29.337   0.7713 -2.354954 2.384093 
1 1 1  -16   25   21 o   12.816   2.0146  169.956   36.545  155.052   96.820  172.432   39.465   12.344   3.7274   13.288   1.5300 -0.9441252 4.029145 
1 1 1  -16   25   22 o   16.884   1.9269  299.271   39.226  273.336  111.842  302.909   41.887   16.144   3.6541   17.624   1.2244 -1.480303 3.853720 
1 1 1  -16   25   23 o   28.983   1.1959  929.346   46.112  683.924  114.660  976.698   50.365   26.285   2.2472   31.680   0.8190 -5.395041 2.391748 
1 1 1  -16   25   24 o   6.9033   2.0295   22.385   39.585 -47.7634   95.217   37.042   43.524   7.0306   3.1955   6.7761   2.5028 0.2544417 4.058993 
1 1 1  -16   25   25 o   27.010   1.0257  694.713   45.197  759.954   96.270  676.268   51.189   27.706   1.7900   26.314   1.0021 1.392412 2.051408 
1 1 1  -16   25   26 o   9.8560   2.2085  100.962   43.928   84.592   89.667  106.132   50.389   9.6809   3.5891   10.031   2.5747 -0.3501015 4.417070 
1 1 1  -16   25   27 o   20.849   1.6770  445.864   67.144  378.310   95.697  511.364   94.232   19.197   2.5680   22.500   2.1575 -3.303068 3.353975 
1 1 1  -16   25   28 o   22.310   1.5624  509.511   67.331  537.450   92.639  478.228   98.029   23.026   2.0726   21.595   2.3385 1.430647 3.124777 
1 1 1  -16   25   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   26    1 o  108.257   0.9131 11388.33  191.812 11431.50  267.833 11342.87  274.829  108.470   1.2720  108.045   1.3104 0.4247894 1.826218 
1 1 1  -16   26    2 o   38.719   0.9115  1432.79   55.751  1416.04   62.527  1497.75  123.135   38.188   0.8435   39.250   1.6161 -1.062431 1.823008 
1 1 1  -16   26    3 o   48.419   0.5941  2276.25   55.837  2242.30   78.586  2310.86   79.350   48.054   0.8425   48.783   0.8379 -0.7292633 1.188229 
1 1 1  -16   26    4 o   50.704   0.5937  2498.12   58.365  2534.75   80.920  2458.41   84.262   51.092   0.8159   50.316   0.8627 0.7765388 1.187409 
1 1 1  -16   26    5 o   42.494   0.5943  1752.35   49.009  1708.95   68.260  1798.52   70.407   41.952   0.8382   43.037   0.8428 -1.085289 1.188642 
1 1 1  -16   26    6 o  107.877   0.9586 11308.83  200.731 11305.30  282.986 11312.40  284.775  107.861   1.3516  107.894   1.3597 -0.3308105E-01 1.917156 
1 1 1  -16   26    7 o   17.506   0.8997  299.102   30.421  328.167   42.587  268.820   43.470   18.379   1.1937   16.632   1.3464 1.746851 1.799376 
1 1 1  -16   26    8 o   72.401   0.6922  5091.11   97.284  5107.55  137.563  5074.66  137.597   72.518   0.9772   72.284   0.9806 0.2339935 1.384406 
1 1 1  -16   26    9 o   47.862   0.5579  2222.65   51.810  2165.97   71.979  2283.58   74.633   47.229   0.7851   48.494   0.7928 -1.265068 1.115773 
1 1 1  -16   26   10 o  111.175   1.2265 12098.89  250.777 11785.90  427.093 12263.59  309.807  110.030   1.9996  112.321   1.4209 -2.291161 2.453045 
1 1 1  -16   26   11 o   53.265   0.8245  2788.95   73.987  2691.75  146.150  2822.44   85.792   52.619   1.4308   53.911   0.8198 -1.291798 1.649040 
1 1 1  -16   26   12 o   22.819   1.2908  537.861   30.982  470.863  105.893  544.133   32.400   21.965   2.4835   23.672   0.7051 -1.706818 2.581640 
1 1 1  -16   26   13 o   87.652   1.7007  7477.01  289.379  7477.01  289.379   0.0000   0.0000   87.652   1.7007  ?   ?       ?      ? 
1 1 1  -16   26   14 o   55.197   1.4704  2963.31  157.548  2963.31  157.548   0.0000   0.0000   55.197   1.4704  ?   ?       ?      ? 
1 1 1  -16   26   15 f  146.827   1.6246 21225.13  447.986 20328.98  724.222 21780.55  570.155  144.178   2.5877  149.475   1.9650 -5.297012 3.249173 
1 1 1  -16   26   16 o   33.251   0.8249  963.195   32.918  1223.71  106.456  935.653   34.614   35.459   1.5466   31.043   0.5744 4.416609 1.649822 
1 1 1  -16   26   17 o   36.248   0.8738  1192.71   38.946  1391.18  120.115  1169.40   41.170   37.794   1.6372   34.702   0.6112 3.092056 1.747556 
1 1 1  -16   26   18 o   10.297   2.2448   58.231   28.233  185.147  112.743   49.740   29.162   13.536   4.0075   7.0567   2.0238 6.479806 4.489581 
1 1 1  -16   26   19 o   71.503   0.8984  5016.38  110.856  4893.97  211.485  5062.75  130.173   70.845   1.5378   72.162   0.9293 -1.317299 1.796795 
1 1 1  -16   26   20 o   17.291   1.8964  300.120   33.593  300.158  116.996  300.117   35.070   17.020   3.6507   17.563   1.0287 -0.5431461 3.792824 
1 1 1  -16   26   21 o   28.709   0.9918  777.168   40.263  844.890  103.398  765.063   43.714   29.367   1.8138   28.050   0.8028 1.316971 1.983528 
1 1 1  -16   26   22 o   29.831   1.0871  925.907   43.994  793.990  111.715  950.121   47.862   28.406   2.0259   31.255   0.7889 -2.848475 2.174115 
1 1 1  -16   26   23 o   14.077   2.1222  195.592   39.880  213.335  112.322  193.033   42.659   14.127   3.9448   14.027   1.5666 0.9945107E-01 4.244455 
1 1 1  -16   26   24 o   16.998   1.9519  327.092   42.100  255.686  108.864  339.649   45.652   15.373   3.6940   18.624   1.2628 -3.251030 3.903894 
1 1 1  -16   26   25 o   16.131   1.7204  198.671   43.536  387.423  108.045  162.084   47.569   19.485   2.8565   12.776   1.9181 6.709684 3.440716 
1 1 1  -16   26   26 o   15.741   1.8013  182.370   46.119  448.934  103.559  116.423   51.509   20.990   2.5416   10.492   2.5532 10.49754 3.602595 
1 1 1  -16   26   27 o   20.624   1.8680  433.250   74.290  501.360  112.648  380.826   98.828   22.044   2.6325   19.204   2.6511 2.839725 3.736080 
1 1 1  -16   26   28 o   20.355   1.9308  439.319   75.252  394.347  111.652  476.751  101.864   19.237   2.9899   21.472   2.4439 -2.234741 3.861650 
1 1 1  -16   27    1 o   42.655   0.6127  1767.94   50.633  1785.33   69.616  1748.40   73.777   42.879   0.8364   42.431   0.8957 0.4472351 1.225493 
1 1 1  -16   27    2 o   45.454   0.5951  2006.48   52.504  2038.53   74.149  1974.25   74.354   45.818   0.8337   45.090   0.8495 0.7286224 1.190242 
1 1 1  -16   27    3 o   35.937   0.6176  1254.70   43.036  1267.54   59.656  1240.78   62.146   36.129   0.8506   35.745   0.8956 0.3843040 1.235192 
1 1 1  -16   27    4 f   28.421   0.6778  784.835   37.360  741.886   52.680  828.294   52.992   27.638   0.9819   29.204   0.9347 -1.566082 1.355687 
1 1 1  -16   27    5 o   30.774   0.6418  921.537   38.246  951.963   52.811  887.981   55.462   31.310   0.8689   30.238   0.9449 1.071888 1.283673 
1 1 1  -16   27    6 o  128.559   1.1266 16069.27  281.142 16143.64  397.954 15995.17  397.236  128.857   1.5910  128.262   1.5955 0.5945587 2.253148 
1 1 1  -16   27    7 o   35.869   0.5673  1249.64   39.476  1202.36   55.770  1297.11   55.886   35.188   0.8165   36.549   0.7877 -1.360840 1.134504 
1 1 1  -16   27    8 o   10.533   1.3455  115.825   26.062   51.310   36.356  184.031   37.381   7.3066   2.2984   13.760   1.3995 -6.453466 2.690928 
1 1 1  -16   27    9 o   53.957   0.7805  2852.98   72.463  2775.06  138.843  2882.15   84.950   53.435   1.3385   54.480   0.8033 -1.044750 1.561075 
1 1 1  -16   27   10 o   52.602   0.8492  2784.85   76.211  2484.83  144.545  2900.36   89.691   50.554   1.4729   54.649   0.8455 -4.095097 1.698323 
1 1 1  -16   27   11 o  100.407   1.3120  9812.96  255.675  9888.01  365.191  9740.81  358.073  100.781   1.8667  100.032   1.8440 0.7492981 2.623927 
1 1 1  -16   27   12 f   67.441   1.5021  4423.84  196.650  4423.84  196.650   0.0000   0.0000   67.441   1.5021  ?   ?       ?      ? 
1 1 1  -16   27   13 o   43.660   1.5939  1854.53  135.083  1854.53  135.083   0.0000   0.0000   43.660   1.5939  ?   ?       ?      ? 
1 1 1  -16   27   14 o  121.776   2.1886 14469.34  517.368 14469.34  517.368   0.0000   0.0000  121.776   2.1886  ?   ?       ?      ? 
1 1 1  -16   27   15 o   74.868   1.5436  5454.85  224.331  5454.85  224.331   0.0000   0.0000   74.868   1.5436  ?   ?       ?      ? 
1 1 1  -16   27   16 o   56.283   1.3847  3081.80  151.287  3081.80  151.287   0.0000   0.0000   56.283   1.3847  ?   ?       ?      ? 
1 1 1  -16   27   17 o   43.753   0.9186  1791.06   66.831  2001.43  139.424  1728.30   76.150   45.333   1.5844   42.173   0.9302 3.159389 1.837257 
1 1 1  -16   27   18 o   55.055   0.8148  2876.83   69.556  3068.68  158.257  2830.90   77.436   56.128   1.4525   53.981   0.7390 2.146626 1.629693 
1 1 1  -16   27   19 o   41.831   0.6568  1699.95   53.334   0.0000   0.0000  1699.95   53.334  ?   ?    41.831   0.6568      ?      ? 
1 1 1  -16   27   20 o   40.259   0.9039  1572.93   48.725  1588.70  131.340  1570.42   52.469   40.317   1.6782   40.202   0.6723 0.1147385 1.807888 
1 1 1  -16   27   21 o   7.3835   1.8479   52.449   32.828 -172.7668  112.717   73.322   34.315   6.2971   3.0427   8.4698   2.0980 -2.172684 3.695856 
1 1 1  -16   27   22 o   48.543   0.7977  2282.12   63.582  2326.92  132.145  2268.62   72.529   48.792   1.3952   48.294   0.7737 0.4983101 1.595340 
1 1 1  -16   27   23 o   42.732   0.8694  1769.75   56.581  1810.40  130.315  1760.31   62.810   42.937   1.5635   42.528   0.7608 0.4091148 1.738796 
1 1 1  -16   27   24 o   19.399   1.5936  372.127   41.691  382.339  111.008  370.450   44.984   19.344   2.9563   19.453   1.1912 -0.1094646 3.187258 
1 1 1  -16   27   25 o   28.667   1.1816  818.049   47.995  803.692  119.479  820.812   52.410   28.337   2.1721   28.998   0.9311 -0.6607189 2.363225 
1 1 1  -16   27   26 o   10.301   2.3428  107.672   45.652  102.817  107.666  108.736   50.407   10.475   3.9230   10.127   2.5622 0.3484907 4.685633 
1 1 1  -16   27   27 o   9.9036   2.6656   77.288   72.590  143.840  111.018   27.585   95.940   11.524   4.0285   8.2834   3.4919 3.240245 5.331182 
1 1 1  -16   27   28 o   11.528   2.6242  139.442   75.307  243.165  106.254   34.752  106.749   14.421   3.7577   8.6344   3.6639 5.786522 5.248306 
1 1 1  -16   28    1 o   35.799   0.6578  1246.23   45.650  1291.68   63.747  1198.39   65.403   36.470   0.9004   35.127   0.9592 1.343048 1.315598 
1 1 1  -16   28    2 o   45.670   0.6014  2021.63   53.181  1974.23   72.358  2077.31   78.427   45.090   0.8267   46.251   0.8735 -1.160873 1.202700 
1 1 1  -16   28    3 o  107.010   0.9384 11111.25  194.618 11407.77  284.805 10851.49  266.562  108.344   1.3542  105.675   1.2995 2.669319 1.876803 
1 1 1  -16   28    4 o   78.290   0.7508  5949.68  114.037  5835.18  158.159  6073.66  164.579   77.507   1.0512   79.074   1.0722 -1.566696 1.501548 
1 1 1  -16   28    5 o   36.495   0.5739  1294.33   40.622  1340.87   57.099  1246.64   57.804   37.160   0.7916   35.830   0.8311 1.330334 1.147724 
1 1 1  -16   28    6 o   90.748   0.8342  7995.70  146.895  7821.40  204.243  8182.47  211.425   89.724   1.1727   91.771   1.1868 -2.046532 1.668436 
1 1 1  -16   28    7 o   78.597   0.7437  6000.96  113.469  6056.40  160.363  5945.37  160.575   78.961   1.0462   78.234   1.0574 0.7277832 1.487472 
1 1 1  -16   28    8 o   90.389   0.8261  7928.74  144.821  7719.18  199.929  8160.08  210.062   89.135   1.1555   91.643   1.1808 -2.508171 1.652112 
1 1 1  -16   28    9 o   29.380   0.9407  800.432   35.995  892.009  102.763  787.625   38.430   30.279   1.7484   28.481   0.6951 1.797670 1.881467 
1 1 1  -16   28   10 o   58.543   1.0245  3334.62  116.358  3245.24  165.984  3421.00  163.163   57.769   1.4801   59.318   1.4170 -1.548424 2.049085 
1 1 1  -16   28   11 f   41.591   1.1432  1686.67   92.092  1599.77  132.296  1768.37  128.272   40.545   1.6809   42.637   1.5498 -2.091415 2.286353 
1 1 1  -16   28   12 o   21.127   2.7287  436.197  111.909  436.197  111.909   0.0000   0.0000   21.127   2.7287  ?   ?       ?      ? 
1 1 1  -16   28   13 o   58.221   1.5105  3297.85  170.713  3297.85  170.713   0.0000   0.0000   58.221   1.5105  ?   ?       ?      ? 
1 1 1  -16   28   14 o   94.978   1.7957  8787.40  331.065  8787.40  331.065   0.0000   0.0000   94.978   1.7957  ?   ?       ?      ? 
1 1 1  -16   28   15 o   38.514   1.5287  1443.59  114.288  1443.59  114.288   0.0000   0.0000   38.514   1.5287  ?   ?       ?      ? 
1 1 1  -16   28   16 o   88.832   1.6930  7687.20  291.937  7687.20  291.937   0.0000   0.0000   88.832   1.6930  ?   ?       ?      ? 
1 1 1  -16   28   17 o   54.210   1.5241  2862.22  160.377  2862.22  160.377   0.0000   0.0000   54.210   1.5241  ?   ?       ?      ? 
1 1 1  -16   28   18 o   55.841   0.8892  3056.09   93.552  2948.31  150.355  3124.18  119.502   55.011   1.4080   56.671   1.0863 -1.660389 1.778355 
1 1 1  -16   28   19 o   39.528   0.9045  1464.06   44.287  1598.94  133.270  1447.32   46.955   40.458   1.6969   38.599   0.6267 1.858955 1.808962 
1 1 1  -16   28   20 o   9.8227   2.1266   71.471   28.328  131.743   98.455   66.032   29.579   11.597   3.7952   8.0486   1.9200 3.548135 4.253262 
1 1 1  -16   28   21 o   16.508   1.9996  306.783   33.013  240.276  114.082  312.861   34.488   15.091   3.8744   17.926   0.9911 -2.834225 3.999204 
1 1 1  -16   28   22 o   40.403   0.9177  1635.03   53.010  1535.82  129.441  1655.02   58.105   39.556   1.6858   41.250   0.7256 -1.694756 1.835317 
1 1 1  -16   28   23 o   23.758   1.1282  530.217   39.084  593.730   97.123  517.944   42.693   24.470   2.0447   23.046   0.9543 1.423584 2.256413 
1 1 1  -16   28   24 o   9.3496   2.1038   91.681   38.421   49.854   92.564  100.387   42.230   8.8715   3.5487   9.8277   2.2607 -0.9561739 4.207613 
1 1 1  -16   28   25 o   11.017   2.0803  142.099   42.537   64.685   98.814  159.708   47.128   9.3713   3.6926   12.663   1.9172 -3.291858 4.160687 
1 1 1  -16   28   26 o   12.914   2.1127  178.205   43.104  171.617  100.485  179.691   47.717   12.413   3.8075   13.415   1.8324 -1.001938 4.225480 
1 1 1  -16   28   27 o   8.6694   2.4639   47.512   65.322   86.750   90.970   5.7445   93.857   9.6025   3.6041   7.7363   3.3606 1.866159 4.927811 
1 1 1  -16   28   28 o   7.6312   2.3935 -16.2296   71.067 -57.1927   95.072   35.645  106.988   6.6328   3.0791   8.6295   3.6652 -1.996789 4.786956 
1 1 1  -16   29    1 o   79.930   0.7473  6206.62  115.941  6272.42  163.403  6139.91  164.533   80.357   1.0475   79.503   1.0661 0.8545303 1.494644 
1 1 1  -16   29    2 o   11.594   1.5983  135.548   34.997  168.498   49.230  101.882   49.761   13.158   1.9274   10.030   2.5501 3.128044 3.196563 
1 1 1  -16   29    3 o   53.933   0.6333  2821.35   66.261  2706.08   91.886  2946.23   95.640   52.787   0.8967   55.079   0.8945 -2.292595 1.266600 
1 1 1  -16   29    4 o   52.021   0.6967  2614.53   69.003  2698.52  109.549  2559.29   88.841   52.706   1.0707   51.335   0.8915 1.371086 1.393303 
1 1 1  -16   29    5 o   59.516   0.6356  3437.13   73.364  3376.72  101.253  3503.90  106.447   58.966   0.8846   60.065   0.9129 -1.099026 1.271202 
1 1 1  -16   29    6 o   56.453   0.6180  3093.52   67.704  3170.10   96.969  3020.68   94.573   57.134   0.8743   55.771   0.8736 1.362671 1.235937 
1 1 1  -16   29    7 o   25.998   0.6217  656.190   31.325  605.352   43.768  709.578   44.853   24.966   0.9031   27.031   0.8548 -2.064823 1.243499 
1 1 1  -16   29    8 o   48.974   0.5551  2326.38   52.730  2264.08   72.828  2395.03   76.445   48.286   0.7770   49.662   0.7930 -1.376240 1.110181 
1 1 1  -16   29    9 o   91.441   1.0661  8168.65  180.801  8005.02  302.932  8259.19  225.336   90.700   1.7206   92.183   1.2593 -1.483620 2.132160 
1 1 1  -16   29   10 o   55.354   1.0254  2980.54  110.150  2937.67  156.971  3022.13  154.609   54.960   1.4713   55.748   1.4287 -0.7877350 2.050847 
1 1 1  -16   29   11 o   93.389   1.7776  8489.60  322.243  8489.60  322.243   0.0000   0.0000   93.389   1.7776  ?   ?       ?      ? 
1 1 1  -16   29   12 o   35.063   1.8001  1197.07  122.517  1197.07  122.517   0.0000   0.0000   35.063   1.8001  ?   ?       ?      ? 
1 1 1  -16   29   13 o   77.365   1.6020  5826.13  240.582  5826.13  240.582   0.0000   0.0000   77.365   1.6020  ?   ?       ?      ? 
1 1 1  -16   29   14 o   40.644   1.5790  1607.81  124.581  1607.81  124.581   0.0000   0.0000   40.644   1.5790  ?   ?       ?      ? 
1 1 1  -16   29   15 o   52.815   1.4057  2713.98  144.120  2713.98  144.120   0.0000   0.0000   52.815   1.4057  ?   ?       ?      ? 
1 1 1  -16   29   16 o   47.210   1.5375  2170.25  140.901  2170.25  140.901   0.0000   0.0000   47.210   1.5375  ?   ?       ?      ? 
1 1 1  -16   29   17 o   43.033   1.6510  1805.66  137.912  1805.66  137.912   0.0000   0.0000   43.033   1.6510  ?   ?       ?      ? 
1 1 1  -16   29   18 o   18.823   2.6308  348.841   96.128  348.841   96.128   0.0000   0.0000   18.823   2.6308  ?   ?       ?      ? 
1 1 1  -16   29   19 o   30.727   1.1203  952.235   43.158  882.488  122.815  962.062   46.098   29.992   2.1095   31.462   0.7548 -1.470058 2.240505 
1 1 1  -16   29   20 o   33.809   0.8786  1076.52   36.597  1164.54  110.532  1065.69   38.784   34.500   1.6505   33.118   0.6033 1.381783 1.757267 
1 1 1  -16   29   21 o   21.375   1.3598  429.455   31.000  473.359  110.209  425.683   32.304   21.831   2.6006   20.920   0.7955 0.9114532 2.719567 
1 1 1  -16   29   22 o   86.928   1.0473  7420.04  158.977  7373.51  298.616  7438.44  187.803   86.551   1.7774   87.304   1.1082 -0.7528458 2.094527 
1 1 1  -16   29   23 o   18.632   1.4742  275.252   37.411  455.288  109.523  251.471   39.805   21.241   2.6562   16.023   1.2798 5.218529 2.948436 
1 1 1  -16   29   24 o   17.792   1.4510  307.872   38.835  327.540   91.347  303.533   42.906   17.988   2.6161   17.597   1.2560 0.3905106 2.901984 
1 1 1  -16   29   25 o   38.658   0.8361  1472.08   53.537  1453.94  108.867  1477.87   61.486   38.393   1.4608   38.923   0.8138 -0.5301170 1.672140 
1 1 1  -16   29   26 o   14.117   1.7710  172.342   40.664  283.836   89.686  143.491   45.623   16.281   2.9462   11.954   1.9661 4.327600 3.541995 
1 1 1  -16   29   27 o   22.863   1.2339  519.806   45.320  530.706   96.611  516.730   51.316   22.814   2.1816   22.912   1.1538 -0.9836197E-01 2.467872 
1 1 1  -16   30    1 o   25.694   0.7989  641.231   39.736  638.883   54.144  643.970   58.497   25.644   1.0877   25.744   1.1705 -0.1000233 1.597861 
1 1 1  -16   30    2 o   49.012   0.6197  2332.31   58.947  2369.76   84.165  2296.26   82.584   49.398   0.8777   48.626   0.8749 0.7720757 1.239309 
1 1 1  -16   30    3 o   39.201   0.6427  1492.50   48.911  1497.46   69.224  1487.55   69.118   39.267   0.9082   39.136   0.9098 0.1301918 1.285495 
1 1 1  -16   30    4 o   84.364   0.7897  6912.14  129.284  7149.27  184.604  6683.89  181.116   85.784   1.1086   82.944   1.1249 2.840202 1.579340 
1 1 1  -16   30    5 o   50.834   0.6056  2508.86   59.749  2564.14   85.238  2455.46   83.775   51.384   0.8546   50.283   0.8583 1.100937 1.211159 
1 1 1  -16   30    6 o   98.145   0.8909  9355.36  169.666  9172.27  235.900  9551.57  244.204   97.151   1.2509   99.138   1.2690 -1.986595 1.781838 
1 1 1  -16   30    7 o   58.169   0.5998  3284.44   67.708  3202.59   94.554  3370.57   97.001   57.425   0.8482   58.912   0.8482 -1.486729 1.199568 
1 1 1  -16   30    8 o   46.950   0.5506  2137.30   50.105  2083.76   68.688  2198.18   73.250   46.323   0.7639   47.576   0.7931 -1.253799 1.101173 
1 1 1  -16   30    9 o   56.382   1.0183  3091.08  111.443  3062.19  156.613  3120.71  158.614   56.115   1.4377   56.648   1.4424 -0.5333138 2.036579 
1 1 1  -16   30   10 o   12.518   2.8495  148.314   79.328  117.636  109.957  181.613  114.559   11.531   4.0104   13.505   4.0492 -1.974596 5.699015 
1 1 1  -16   30   11 f   55.667   1.4948  3014.19  161.528  3014.19  161.528   0.0000   0.0000   55.667   1.4948  ?   ?       ?      ? 
1 1 1  -16   30   12 o   9.2002   3.8118   22.806  111.397   22.806  111.397   0.0000   0.0000   9.2002   3.8118  ?   ?       ?      ? 
1 1 1  -16   30   13 o   59.987   1.4935  3501.23  173.909  3501.23  173.909   0.0000   0.0000   59.987   1.4935  ?   ?       ?      ? 
1 1 1  -16   30   14 o   60.805   1.4398  3597.40  169.944  3597.40  169.944   0.0000   0.0000   60.805   1.4398  ?   ?       ?      ? 
1 1 1  -16   30   15 o   92.699   1.7486  8373.70  314.656  8373.70  314.656   0.0000   0.0000   92.699   1.7486  ?   ?       ?      ? 
1 1 1  -16   30   16 o   82.174   1.6703  6582.04  266.441  6582.04  266.441   0.0000   0.0000   82.174   1.6703  ?   ?       ?      ? 
1 1 1  -16   30   17 o   8.7449   3.6785   12.814  106.100   12.814  106.100   0.0000   0.0000   8.7449   3.6785  ?   ?       ?      ? 
1 1 1  -16   30   18 o   7.8690   3.5037 -37.2426  107.989 -37.2426  107.989   0.0000   0.0000   7.8690   3.5037  ?   ?       ?      ? 
1 1 1  -16   30   19 o   11.893   3.9986  136.076  109.099  136.076  109.099   0.0000   0.0000   11.893   3.9986  ?   ?       ?      ? 
1 1 1  -16   30   20 o   19.480   1.7962  433.876   23.323  327.027  117.720  438.241   23.795   17.722   3.5457   21.238   0.5772 -3.515753 3.592387 
1 1 1  -16   30   21 o   22.984   1.3148  580.320   29.541  451.350  105.456  591.303   30.773   21.305   2.5499   24.663   0.6428 -3.358095 2.629663 
1 1 1  -16   30   22 o   21.676   1.3169  374.921   31.951  585.212  116.354  357.770   33.228   24.191   2.4778   19.162   0.8933 5.029619 2.633892 
1 1 1  -16   30   23 o   16.094   1.9052  245.614   35.281  295.434  112.549  240.185   37.153   16.528   3.6091   15.660   1.2222 0.8680305 3.810470 
1 1 1  -16   30   24 o   9.1567   2.3525   47.104   36.538  144.178  113.001   35.769   38.613   11.813   4.0679   6.5005   2.3642 5.312267 4.705033 
1 1 1  -16   30   25 o   13.643   2.1183  185.449   39.101  213.059  109.982  181.454   41.834   13.751   3.9260   13.535   1.5923 0.2161713 4.236588 
1 1 1  -16   30   26 o   11.633   2.2888  128.733   40.662  176.545  111.435  121.389   43.673   12.489   4.0344   10.776   2.1629 1.712448 4.577577 
1 1 1  -16   30   27 o   10.473   2.4000  102.305   43.537  152.901  113.629   93.599   47.134   11.623   4.0749   9.3235   2.5368 2.299438 4.799953 
1 1 1  -16   31    1 o   14.050   1.3791  192.370   37.167  155.241   51.390  233.094   53.820   12.624   2.0971   15.476   1.7915 -2.852519 2.758172 
1 1 1  -16   31    2 o   78.801   0.7668  6032.55  117.286  6017.10  164.503  6048.53  167.266   78.699   1.0768   78.903   1.0921 -0.2041931 1.533666 
1 1 1  -16   31    3 o   56.054   0.8279  3067.33   83.268  3015.73  149.073  3090.73  100.389   55.698   1.3788   56.411   0.9168 -0.7130051 1.655746 
1 1 1  -16   31    4 o   44.680   0.6063  1934.98   52.531  1834.25   72.505  2046.27   76.213   43.459   0.8595   45.902   0.8553 -2.443096 1.212536 
1 1 1  -16   31    5 o   73.231   0.7202  5209.53  102.364  5325.66  145.275  5095.02  144.258   74.042   1.0108   72.420   1.0262 1.622009 1.440356 
1 1 1  -16   31    6 o   45.665   0.5657  2025.01   50.131  1965.33   70.603  2085.70   71.192   44.986   0.8085   46.343   0.7914 -1.357674 1.131349 
1 1 1  -16   31    7 o   51.184   0.5808  2545.43   57.676  2590.11   80.776  2498.95   82.380   51.643   0.8058   50.725   0.8366 0.9180908 1.161555 
1 1 1  -16   31    8 o   54.585   0.8506  2889.35   77.411  2883.22   88.986  2908.40  156.962   54.485   0.8414   54.685   1.4786 -0.1995392 1.701257 
1 1 1  -16   31    9 o   54.065   1.0608  2843.46  111.274  2952.53  157.701  2735.31  157.032   55.099   1.4744   53.030   1.5255 2.069271 2.121552 
1 1 1  -16   31   10 o   18.436   2.4266  354.427   82.844  480.299  115.248  219.843  119.169   22.168   2.6782   14.705   4.0472 7.463284 4.853137 
1 1 1  -16   31   11 o   69.349   1.5479  4680.22  208.370  4680.22  208.370   0.0000   0.0000   69.349   1.5479  ?   ?       ?      ? 
1 1 1  -16   31   12 o   51.068   1.5134  2537.66  150.020  2537.66  150.020   0.0000   0.0000   51.068   1.5134  ?   ?       ?      ? 
1 1 1  -16   31   13 o   70.371   1.5390  4819.56  210.230  4819.56  210.230   0.0000   0.0000   70.371   1.5390  ?   ?       ?      ? 
1 1 1  -16   31   14 o   66.026   1.4713  4242.87  188.570  4242.87  188.570   0.0000   0.0000   66.026   1.4713  ?   ?       ?      ? 
1 1 1  -16   31   15 o   24.649   2.3621  594.387  113.021  594.387  113.021   0.0000   0.0000   24.649   2.3621  ?   ?       ?      ? 
1 1 1  -16   31   16 o   50.942   1.5338  2529.17  151.677  2529.17  151.677   0.0000   0.0000   50.942   1.5338  ?   ?       ?      ? 
1 1 1  -16   31   17 o   18.701   2.7481  344.824   99.763  344.824   99.763   0.0000   0.0000   18.701   2.7481  ?   ?       ?      ? 
1 1 1  -16   31   18 o   25.957   2.4063  663.102  121.244  663.102  121.244   0.0000   0.0000   25.957   2.4063  ?   ?       ?      ? 
1 1 1  -16   31   19 o   18.855   2.7759  352.819  101.601  352.819  101.601   0.0000   0.0000   18.855   2.7759  ?   ?       ?      ? 
1 1 1  -16   31   20 o   18.442   3.4500  353.187  118.968  353.187  118.968   0.0000   0.0000   18.442   3.4500  ?   ?       ?      ? 
1 1 1  -16   31   21 o   12.641   2.0264  128.590   22.480  207.372  110.390  125.182   22.961   13.951   3.9159   11.330   1.0439 2.621002 4.052706 
1 1 1  -16   31   22 o   29.244   0.9849  823.545   34.679  858.180  106.333  819.422   36.685   29.464   1.8591   29.023   0.6511 0.4408417 1.969865 
1 1 1  -16   31   23 f   28.974   1.0932  855.497   37.416  790.694  113.513  863.396   39.631   28.166   2.0761   29.782   0.6855 -1.615564 2.186362 
1 1 1  -16   31   24 f   26.876   1.2143  719.153   38.491  711.535  118.796  720.047   40.686   26.574   2.3030   27.179   0.7712 -0.6054859 2.428641 
1 1 1  -16   31   25 o   28.747   1.1471  782.648   42.446  872.104  122.084  770.348   45.270   29.405   2.1388   28.090   0.8302 1.315235 2.294298 
1 1 1  -16   31   26 o   16.613   2.0336  298.248   41.287  287.022  117.071  299.843   44.122   15.796   3.8525   17.430   1.3041 -1.633497 4.067219 
1 1 1  -16   31   27 o   17.222   1.9967  335.535   44.518  293.883  113.993  343.031   48.358   15.845   3.7622   18.600   1.3394 -2.754396 3.993494 
1 1 1  -16   32    1 o   16.667   1.3013  268.892   41.976  292.525   62.314  249.259   56.796   17.333   1.8520   16.001   1.8286 1.332445 2.602640 
1 1 1  -16   32    2 o  134.752   1.1823 17669.14  309.254 17782.42  438.266 17556.80  436.442  135.183   1.6701  134.322   1.6738 0.8610840 2.364551 
1 1 1  -16   32    3 o   41.938   0.6246  1704.68   50.716  1661.64   68.878  1755.65   74.951   41.362   0.8579   42.515   0.9082 -1.152294 1.249289 
1 1 1  -16   32    4 o   25.394   1.3264  666.104   46.412  574.492  116.027  683.555   50.640   24.261   2.4637   26.526   0.9835 -2.265079 2.652713 
1 1 1  -16   32    5 o   21.299   0.7899  441.252   32.513  388.792   45.472  496.125   46.507   20.002   1.1712   22.597   1.0602 -2.595430 1.579786 
1 1 1  -16   32    6 o   33.490   0.5813  1088.14   37.768  1049.10   52.426  1130.26   54.455   32.867   0.8217   34.114   0.8223 -1.247608 1.162511 
1 1 1  -16   32    7 o   26.730   1.2102  711.437   40.518  716.563   43.229  674.376  116.243   27.163   0.8198   26.296   2.2772 0.8665314 2.420309 
1 1 1  -16   32    8 o   22.516   1.3066  521.461   30.016  526.641   31.287  461.599  106.365   23.289   0.6921   21.744   2.5200 1.544708 2.613296 
1 1 1  -16   32    9 o   40.001   1.2191  1543.35   94.227  1387.69  126.482  1737.47  141.253   37.756   1.7258   42.247   1.7224 -4.491467 2.438219 
1 1 1  -16   32   10 o   27.880   1.5125  760.295   81.494  734.070  119.828  782.864  111.160   27.424   2.2510   28.336   2.0209 -0.9122200 3.025030 
1 1 1  -16   32   11 o  100.792   1.8951  9899.81  370.795  9899.81  370.795   0.0000   0.0000  100.792   1.8951  ?   ?       ?      ? 
1 1 1  -16   32   12 o   73.509   1.5788  5259.51  225.279  5259.51  225.279   0.0000   0.0000   73.509   1.5788  ?   ?       ?      ? 
1 1 1  -16   32   13 o   40.715   1.5918  1614.04  125.806  1614.04  125.806   0.0000   0.0000   40.715   1.5918  ?   ?       ?      ? 
1 1 1  -16   32   14 o   62.447   1.4569  3795.91  176.604  3795.91  176.604   0.0000   0.0000   62.447   1.4569  ?   ?       ?      ? 
1 1 1  -16   32   15 o   21.967   2.7160  473.933  115.814  473.933  115.814   0.0000   0.0000   21.967   2.7160  ?   ?       ?      ? 
1 1 1  -16   32   16 o   36.386   1.7682  1292.97  124.892  1292.97  124.892   0.0000   0.0000   36.386   1.7682  ?   ?       ?      ? 
1 1 1  -16   32   17 o   38.345   1.5776  1435.08  117.430  1435.08  117.430   0.0000   0.0000   38.345   1.5776  ?   ?       ?      ? 
1 1 1  -16   32   18 o   12.597   4.1916  155.036  119.911  155.036  119.911   0.0000   0.0000   12.597   4.1916  ?   ?       ?      ? 
1 1 1  -16   32   19 o   60.969   1.4631  3632.16  173.160  3632.16  173.160   0.0000   0.0000   60.969   1.4631  ?   ?       ?      ? 
1 1 1  -16   32   20 o   52.152   1.5215  2662.32  154.027  2662.32  154.027   0.0000   0.0000   52.152   1.5215  ?   ?       ?      ? 
1 1 1  -16   32   21 o   17.948   3.4920  340.453  117.288  340.453  117.288   0.0000   0.0000   17.948   3.4920  ?   ?       ?      ? 
1 1 1  -16   32   22 o   24.059   1.1302  499.495   26.978  658.898  108.162  488.921   27.858   25.702   2.1679   22.417   0.6402 3.284729 2.260488 
1 1 1  -16   32   23 o   5.9650   1.8069   14.635   28.574 -79.4841   90.617   25.027   30.111   6.3109   2.9548   5.6191   2.0805 0.6917481 3.613754 
1 1 1  -16   32   24 o   17.036   1.5482  263.906   32.924  331.725  100.521  255.756   34.846   17.917   2.8902   16.156   1.1111 1.760899 3.096454 
1 1 1  -16   32   25 o   30.477   0.9671  844.151   40.456  1024.31  110.209  816.094   43.492   32.036   1.7722   28.919   0.7748 3.117195 1.934146 
1 1 1  -16   32   26 o   20.727   1.3270  397.611   40.098  488.687  101.277  380.680   43.666   21.785   2.3949   19.668   1.1437 2.116804 2.653962 
1 1 1  -16   33    1 o   60.618   0.6725  3569.15   79.061  3561.95  109.466  3577.00  114.310   60.555   0.9312   60.681   0.9704 -0.1256752 1.344971 
1 1 1  -16   33    2 o  107.497   1.1715 11212.31  232.319 11346.52  396.906 11142.37  286.531  107.943   1.8942  107.051   1.3789 0.8921280 2.342921 
1 1 1  -16   33    3 o   92.590   0.8554  8329.95  153.721  8516.36  219.281  8149.82  215.557   93.609   1.2068   91.572   1.2127 2.037209 1.710784 
1 1 1  -16   33    4 o   23.254   0.7960  530.419   35.588  462.010   51.495  592.963   49.238   21.803   1.2167   24.705   1.0267 -2.902256 1.592034 
1 1 1  -16   33    5 o   67.598   0.6858  4438.72   89.976  4427.56  125.876  4450.38  128.659   67.512   0.9605   67.685   0.9792 -0.1726379 1.371663 
1 1 1  -16   33    6 o   79.597   0.9760  6189.34  137.815  6232.52  164.681  6088.42  251.755   80.092   1.0592   79.103   1.6395 0.9887466 1.951929 
1 1 1  -16   33    7 o   88.681   1.0400  7661.94  166.214  7683.92  200.880  7614.23  295.981   88.918   1.1638   88.445   1.7240 0.4732056 2.080021 
1 1 1  -16   33    8 o   25.431   1.7459  639.579   84.992  695.152  114.479  571.329  126.866   26.693   2.2093   24.169   2.7041 2.524746 3.491892 
1 1 1  -16   33    9 o   36.346   1.2371  1284.13   87.190  1339.99  127.024  1234.36  119.894   37.091   1.7642   35.601   1.7349 1.489975 2.474293 
1 1 1  -16   33   10 o   82.251   1.1756  6586.52  187.692  6573.62  266.271  6599.26  264.610   82.169   1.6694   82.332   1.6557 -0.1621780 2.351164 
1 1 1  -16   33   11 o   31.390   2.0851  961.119  127.056  961.119  127.056   0.0000   0.0000   31.390   2.0851  ?   ?       ?      ? 
1 1 1  -16   33   12 f   54.004   1.5075  2838.58  158.034  2838.58  158.034   0.0000   0.0000   54.004   1.5075  ?   ?       ?      ? 
1 1 1  -16   33   13 o   47.720   1.4757  2216.64  136.701  2216.64  136.701   0.0000   0.0000   47.720   1.4757  ?   ?       ?      ? 
1 1 1  -16   33   14 o   91.114   1.7400  8095.07  307.745  8095.07  307.745   0.0000   0.0000   91.114   1.7400  ?   ?       ?      ? 
1 1 1  -16   33   15 o   44.512   1.6279  1932.49  140.658  1932.49  140.658   0.0000   0.0000   44.512   1.6279  ?   ?       ?      ? 
1 1 1  -16   33   16 o   38.567   1.6680  1452.25  124.872  1452.25  124.872   0.0000   0.0000   38.567   1.6680  ?   ?       ?      ? 
1 1 1  -16   33   17 o   60.673   1.5474  3594.09  182.246  3594.09  182.246   0.0000   0.0000   60.673   1.5474  ?   ?       ?      ? 
1 1 1  -16   33   18 o   28.248   2.2562  786.117  123.718  786.117  123.718   0.0000   0.0000   28.248   2.2562  ?   ?       ?      ? 
1 1 1  -16   33   19 o   30.257   2.1481  902.336  126.167  902.336  126.167   0.0000   0.0000   30.257   2.1481  ?   ?       ?      ? 
1 1 1  -16   33   20 o   12.846   3.7453  173.585   99.135  173.585   99.135   0.0000   0.0000   12.846   3.7453  ?   ?       ?      ? 
1 1 1  -16   33   21 o   9.1549   3.8062   33.392  111.630   33.392  111.630   0.0000   0.0000   9.1549   3.8062  ?   ?       ?      ? 
1 1 1  -16   33   22 o   14.005   3.9660  215.554  112.711  215.554  112.711   0.0000   0.0000   14.005   3.9660  ?   ?       ?      ? 
1 1 1  -16   33   23 o   29.411   1.0774  863.831   33.448  839.754  116.409  865.998   34.920   28.990   2.0686   29.833   0.6030 -0.8433838 2.154710 
1 1 1  -16   33   24 o   30.783   1.0393  968.548   39.773  893.418  113.684  979.027   42.456   29.868   1.9607   31.698   0.6900 -1.829115 2.078609 
1 1 1  -16   33   25 o   14.674   1.8675  253.902   34.778  187.903   91.600  265.018   37.593   12.931   3.5439   16.416   1.1797 -3.484680 3.735069 
1 1 1  -16   33   26 o   8.7856   1.8587   95.673   35.488 -40.2354   96.210  117.076   38.180   6.9555   3.1809   10.616   1.9236 -3.660226 3.717331 
1 1 1  -16   34    1 o   22.471   0.9385  493.771   40.652  521.294   55.327  461.480   59.929   23.158   1.2308   21.784   1.4172 1.374359 1.877060 
1 1 1  -16   34    2 o   52.277   0.7317  2643.01   72.125  2604.81   91.375  2706.15  117.475   51.784   0.9090   52.769   1.1468 -0.9852257 1.463385 
1 1 1  -16   34    3 o   74.496   0.8694  5416.39  121.990  5301.46  197.032  5487.83  155.346   73.839   1.3746   75.153   1.0649 -1.314018 1.738831 
1 1 1  -16   34    4 o   98.371   0.9004  9406.90  171.929  9534.07  243.794  9281.08  242.499   99.033   1.2682   97.709   1.2785 1.323982 1.800797 
1 1 1  -16   34    5 o   37.805   0.5836  1388.41   42.814  1407.73   60.192  1368.62   60.912   38.071   0.8145   37.538   0.8359 0.5331879 1.167100 
1 1 1  -16   34    6 o   84.580   1.0206  6957.36  152.682  6955.39  181.726  6962.09  281.534   84.598   1.1066   84.562   1.7151 0.3614807E-01 2.041116 
1 1 1  -16   34    7 o   69.568   0.9479  4738.97  113.817  4777.78  133.616  4636.34  217.276   70.123   0.9816   69.014   1.6219 1.109734 1.895768 
1 1 1  -16   34    8 o   41.053   1.1816  1641.86   94.072  1618.55  135.552  1663.52  130.660   40.769   1.7128   41.338   1.6283 -0.5690117 2.363285 
1 1 1  -16   34    9 o   52.388   1.0717  2672.56  108.901  2579.60  155.026  2763.12  153.012   51.485   1.5512   53.291   1.4791 -1.806370 2.143360 
1 1 1  -16   34   10 o   26.838   1.7132  701.381   89.087  663.036  121.572  745.851  130.922   26.050   2.4041   27.627   2.4413 -1.576178 3.426314 
1 1 1  -16   34   11 o   59.063   1.5210  3395.51  174.381  3395.51  174.381   0.0000   0.0000   59.063   1.5210  ?   ?       ?      ? 
1 1 1  -16   34   12 o   38.288   1.6503  1427.93  122.658  1427.93  122.658   0.0000   0.0000   38.288   1.6503  ?   ?       ?      ? 
1 1 1  -16   34   13 o   18.025   2.7027  318.774   94.568  318.774   94.568   0.0000   0.0000   18.025   2.7027  ?   ?       ?      ? 
1 1 1  -16   34   14 o   55.615   1.5209  3014.41  164.199  3014.41  164.199   0.0000   0.0000   55.615   1.5209  ?   ?       ?      ? 
1 1 1  -16   34   15 o   55.046   1.5348  2955.36  163.999  2955.36  163.999   0.0000   0.0000   55.046   1.5348  ?   ?       ?      ? 
1 1 1  -16   34   16 o   8.2421   3.5267   0.1453  100.396   0.1453  100.396   0.0000   0.0000   8.2421   3.5267  ?   ?       ?      ? 
1 1 1  -16   34   17 o   46.504   1.6930  2115.55  152.830  2115.55  152.830   0.0000   0.0000   46.504   1.6930  ?   ?       ?      ? 
1 1 1  -16   34   18 f   33.544   1.7323  1102.52  112.802  1102.52  112.802   0.0000   0.0000   33.544   1.7323  ?   ?       ?      ? 
1 1 1  -16   34   19 o   28.098   2.4074  782.678  131.308  782.678  131.308   0.0000   0.0000   28.098   2.4074  ?   ?       ?      ? 
1 1 1  -16   34   20 o   27.879   2.1017  770.203  113.740  770.203  113.740   0.0000   0.0000   27.879   2.1017  ?   ?       ?      ? 
1 1 1  -16   34   21 o   7.9439   3.4434  -1.7079   98.122  -1.7079   98.122   0.0000   0.0000   7.9439   3.4434  ?   ?       ?      ? 
1 1 1  -16   34   22 o   23.515   2.5165  558.058  114.871  558.058  114.871   0.0000   0.0000   23.515   2.5165  ?   ?       ?      ? 
1 1 1  -16   34   23 o   24.706   1.2743  574.228   26.747  644.614  121.341  570.633   27.421   25.196   2.4809   24.216   0.5833 0.9799728 2.548534 
1 1 1  -16   34   24 o   23.574   1.3409  558.372   31.970  553.375  116.436  558.780   33.248   23.208   2.5845   23.940   0.7154 -0.7320404 2.681701 
1 1 1  -16   34   25 o   16.969   1.6773  236.719   33.326  380.026  114.873  223.549   34.824   18.869   3.1362   15.069   1.1905 3.800549 3.354559 
1 1 1  -16   34   26 o   16.977   2.1074  396.107   37.099  215.252  116.477  416.526   39.137   13.358   4.0996   20.597   0.9789 -7.238581 4.214846 
1 1 1  -16   35    1 o   50.400   0.8161  2469.12   79.845  2456.73  112.550  2481.68  113.288   50.273   1.1533   50.528   1.1550 -0.2545357 1.632237 
1 1 1  -16   35    2 o   96.460   0.8908  9046.54  166.762  9026.23  233.508  9067.68  238.238   96.351   1.2485   96.569   1.2709 -0.2179565 1.781528 
1 1 1  -16   35    3 o   34.248   0.6683  1139.31   44.423  1157.93   63.361  1121.31   62.299   34.523   0.9455   33.973   0.9447 0.5502892 1.336545 
1 1 1  -16   35    4 o   70.765   0.8244  4846.21  109.327  4949.94  180.708  4786.33  137.306   71.346   1.3048   70.184   1.0078 1.162071 1.648707 
1 1 1  -16   35    5 o   45.078   1.0279  2011.83   76.305  2044.02   87.632  1910.92  155.174   45.866   0.9843   44.290   1.8049 1.575592 2.055809 
1 1 1  -16   35    6 o   46.304   0.9511  2072.65   66.361  2065.32   73.441  2105.26  154.901   46.112   0.8205   46.496   1.7162 -0.3841896 1.902271 
1 1 1  -16   35    7 o   46.522   0.8756  2065.65   63.258  2040.58   70.522  2168.92  143.108   45.836   0.7926   47.208   1.5617 -1.371895 1.751278 
1 1 1  -16   35    8 o   86.276   1.2135  7247.12  203.215  7380.11  289.550  7118.02  285.277   87.056   1.7134   85.496   1.7189 1.560692 2.427027 
1 1 1  -16   35    9 o   31.169   1.5224  948.014   91.872  947.404  125.483  948.718  134.877   31.164   2.0743   31.174   2.2289 -0.9500504E-02 3.044734 
1 1 1  -16   35   10 o   32.578   1.4353  1036.01   90.073  873.918  125.105  1210.47  129.790   29.920   2.1540   35.236   1.8975 -5.315742 2.870589 
1 1 1  -16   35   11 o   49.512   1.5580  2386.93  149.745  2386.93  149.745   0.0000   0.0000   49.512   1.5580  ?   ?       ?      ? 
1 1 1  -16   35   12 o   25.600   2.1248  640.276  105.588  640.276  105.588   0.0000   0.0000   25.600   2.1248  ?   ?       ?      ? 
1 1 1  -16   35   13 o   9.3411   3.5960   58.591   91.975   58.591   91.975   0.0000   0.0000   9.3411   3.5960  ?   ?       ?      ? 
1 1 1  -16   35   14 f   54.387   1.5730  2885.24  166.069  2885.24  166.069   0.0000   0.0000   54.387   1.5730  ?   ?       ?      ? 
1 1 1  -16   35   15 o   58.373   1.5269  3324.48  173.021  3324.48  173.021   0.0000   0.0000   58.373   1.5269  ?   ?       ?      ? 
1 1 1  -16   35   16 o   37.374   1.6517  1365.33  119.831  1365.33  119.831   0.0000   0.0000   37.374   1.6517  ?   ?       ?      ? 
1 1 1  -16   35   17 o   27.957   2.3805  771.609  129.185  771.609  129.185   0.0000   0.0000   27.957   2.3805  ?   ?       ?      ? 
1 1 1  -16   35   18 o   8.2106   3.5253   0.3948  100.930   0.3948  100.930   0.0000   0.0000   8.2106   3.5253  ?   ?       ?      ? 
1 1 1  -16   35   19 o   23.005   2.6502  528.912  118.349  528.912  118.349   0.0000   0.0000   23.005   2.6502  ?   ?       ?      ? 
1 1 1  -16   35   20 o   9.1164   3.8319   26.229  114.993   26.229  114.993   0.0000   0.0000   9.1164   3.8319  ?   ?       ?      ? 
1 1 1  -16   35   21 o   19.931   2.5942  401.675  100.369  401.675  100.369   0.0000   0.0000   19.931   2.5942  ?   ?       ?      ? 
1 1 1  -16   35   22 o   16.918   3.2522  305.672  102.927  305.672  102.927   0.0000   0.0000   16.918   3.2522  ?   ?       ?      ? 
1 1 1  -16   35   23 o   35.549   1.7730  1257.72  122.350  1257.72  122.350   0.0000   0.0000   35.549   1.7730  ?   ?       ?      ? 
1 1 1  -16   35   24 o   10.648   2.1184   81.481   25.235  183.378  106.130   75.375   25.980   12.718   3.9150   8.5768   1.6198 4.141402 4.236824 
1 1 1  -16   35   25 o   8.2517   1.8456   81.156   29.961 -75.3319  108.936   93.962   31.163   6.9579   3.2520   9.5456   1.7461 -2.587695 3.691113 
1 1 1  -16   36    1 o   40.548   0.6709  1597.64   52.794  1631.20   74.586  1563.94   74.738   40.975   0.9377   40.121   0.9596 0.8546295 1.341715 
1 1 1  -16   36    2 o   32.478   0.7949  1005.71   49.319  923.193   63.355  1132.62   78.570   30.822   1.0589   34.134   1.1858 -3.312033 1.589771 
1 1 1  -16   36    3 o   27.091   0.7728  713.249   40.622  714.532   58.343  712.042   56.592   27.114   1.1085   27.068   1.0770 0.4626846E-01 1.545563 
1 1 1  -16   36    4 o   29.201   1.4326  937.174   51.646  973.873   55.495  699.756  141.150   31.662   0.9029   26.741   2.7192 4.921038 2.865191 
1 1 1  -16   36    5 o   22.255   1.5573  483.825   49.358  484.077   53.885  482.509  123.025   22.313   1.2441   22.196   2.8553 0.1176395 3.114593 
1 1 1  -16   36    6 o   42.186   0.9145  1723.40   59.442  1718.79   66.251  1742.45  134.615   42.066   0.8113   42.306   1.6392 -0.2402802 1.828960 
1 1 1  -16   36    7 o   37.144   0.9843  1187.85   46.751  1142.46   49.533  1558.20  141.491   34.298   0.7440   39.991   1.8227 -5.693272 1.968648 
1 1 1  -16   36    8 o   49.345   1.1741  2373.43  112.191  2405.42  154.004  2337.26  163.772   49.706   1.5961   48.984   1.7223 0.7217484 2.348174 
1 1 1  -16   36    9 o   9.6829   2.7906   36.493   82.738   46.906  117.737   26.334  116.294   9.9279   3.9913   9.4379   3.9012 0.4899931 5.581145 
1 1 1  -16   36   10 o   27.680   1.4726  726.195   77.816  874.203  124.640  631.653   99.615   29.919   2.1460   25.441   2.0171 4.477976 2.945176 
1 1 1  -16   36   11 o   44.304   1.5892  1912.26  136.674  1912.26  136.674   0.0000   0.0000   44.304   1.5892  ?   ?       ?      ? 
1 1 1  -16   36   12 o   32.353   1.8666  1021.99  117.230  1021.99  117.230   0.0000   0.0000   32.353   1.8666  ?   ?       ?      ? 
1 1 1  -16   36   13 o   22.176   2.6930  484.175  115.929  484.175  115.929   0.0000   0.0000   22.176   2.6930  ?   ?       ?      ? 
1 1 1  -16   36   14 o   52.392   1.5897  2678.94  161.675  2678.94  161.675   0.0000   0.0000   52.392   1.5897  ?   ?       ?      ? 
1 1 1  -16   36   15 o   38.409   1.6908  1442.04  126.068  1442.04  126.068   0.0000   0.0000   38.409   1.6908  ?   ?       ?      ? 
1 1 1  -16   36   16 o   46.239   1.7039  2092.57  152.941  2092.57  152.941   0.0000   0.0000   46.239   1.7039  ?   ?       ?      ? 
1 1 1  -16   36   17 o   35.678   1.8906  1249.89  130.938  1249.89  130.938   0.0000   0.0000   35.678   1.8906  ?   ?       ?      ? 
1 1 1  -16   36   18 o   11.346   4.1835  111.857  121.505  111.857  121.505   0.0000   0.0000   11.346   4.1835  ?   ?       ?      ? 
1 1 1  -16   36   19 f   19.218   2.6849  370.941  100.163  370.941  100.163   0.0000   0.0000   19.218   2.6849  ?   ?       ?      ? 
1 1 1  -16   36   20 o   7.2282   3.3693 -90.9840  115.714 -90.9840  115.714   0.0000   0.0000   7.2282   3.3693  ?   ?       ?      ? 
1 1 1  -16   36   21 f   10.594   4.0304   96.248  114.668   96.248  114.668   0.0000   0.0000   10.594   4.0304  ?   ?       ?      ? 
1 1 1  -16   36   22 o   8.3187   3.5953   6.7211  106.337   6.7211  106.337   0.0000   0.0000   8.3187   3.5953  ?   ?       ?      ? 
1 1 1  -16   36   23 o   21.183   2.4284  457.642   99.856  457.642   99.856   0.0000   0.0000   21.183   2.4284  ?   ?       ?      ? 
1 1 1  -16   36   24 o   8.3211   3.5032   29.558   96.367   29.558   96.367   0.0000   0.0000   8.3211   3.5032  ?   ?       ?      ? 
1 1 1  -16   36   25 o   9.0630   1.7866  105.772   29.568 -32.0511   99.152  119.225   30.977   7.1795   3.2623   10.946   1.4578 -3.766924 3.573225 
1 1 1  -16   37    1 o   39.557   0.6820  1520.54   52.352  1526.10   73.175  1514.70   74.929   39.632   0.9512   39.482   0.9777 0.1494560 1.364013 
1 1 1  -16   37    2 o   63.630   0.6889  3935.45   85.056  3993.69  119.101  3874.83  121.508   64.112   0.9570   63.148   0.9912 0.9636955 1.377834 
1 1 1  -16   37    3 o   85.547   1.1282  7113.54  187.342  7113.54  187.342   0.0000   0.0000   85.547   1.1282  ?   ?       ?      ? 
1 1 1  -16   37    4 o   44.734   0.9567  1963.27   65.912  1974.28   73.605  1918.71  148.081   45.082   0.8411   44.385   1.7187 0.6974945 1.913456 
1 1 1  -16   37    5 o   43.898   1.0137  1931.86   66.475  1965.67   73.787  1786.19  153.165   44.983   0.8450   42.812   1.8430 2.171200 2.027483 
1 1 1  -16   37    6 o   28.226   1.3789  780.353   49.029  781.456   52.282  772.306  141.197   28.359   0.9497   28.094   2.5891 0.2657146 2.757800 
1 1 1  -16   37    7 o   52.485   0.9267  2611.38   76.742  2564.32   85.910  2797.23  170.736   51.377   0.8614   53.593   1.6412 -2.216663 1.853488 
1 1 1  -16   37    8 o   35.020   1.3437  1191.69   91.160  1301.14  133.165  1095.17  125.056   36.530   1.8779   33.510   1.9225 3.019485 2.687465 
1 1 1  -16   37    9 o   40.467   1.2153  1595.93   95.460  1593.39  135.691  1598.43  134.321   40.434   1.7288   40.500   1.7085 -0.6585693E-01 2.430585 
1 1 1  -16   37   10 o   31.758   1.3742  986.634   84.532  939.314  121.660  1030.80  117.538   31.013   2.0209   32.503   1.8629 -1.490267 2.748490 
1 1 1  -16   37   11 o   46.407   1.4611  2097.94  131.625  2097.94  131.625   0.0000   0.0000   46.407   1.4611  ?   ?       ?      ? 
1 1 1  -16   37   12 o   27.570   1.8814  742.908  100.691  742.908  100.691   0.0000   0.0000   27.570   1.8814  ?   ?       ?      ? 
1 1 1  -16   37   13 f   19.619   3.2235  381.975  122.765  381.975  122.765   0.0000   0.0000   19.619   3.2235  ?   ?       ?      ? 
1 1 1  -16   37   14 o   33.376   2.0434  1092.08  132.387  1092.08  132.387   0.0000   0.0000   33.376   2.0434  ?   ?       ?      ? 
1 1 1  -16   37   15 o   46.788   1.5128  2138.30  137.403  2138.30  137.403   0.0000   0.0000   46.788   1.5128  ?   ?       ?      ? 
1 1 1  -16   37   16 o   60.737   1.6147  3609.92  190.380  3609.92  190.380   0.0000   0.0000   60.737   1.6147  ?   ?       ?      ? 
1 1 1  -16   37   17 o   24.130   2.2877  575.670  107.157  575.670  107.157   0.0000   0.0000   24.130   2.2877  ?   ?       ?      ? 
1 1 1  -16   37   18 o   14.120   4.1003  213.320  119.034  213.320  119.034   0.0000   0.0000   14.120   4.1003  ?   ?       ?      ? 
1 1 1  -16   37   19 o   19.262   2.9380  376.649  109.854  376.649  109.854   0.0000   0.0000   19.262   2.9380  ?   ?       ?      ? 
1 1 1  -16   37   20 o   13.761   3.6724  206.204   99.928  206.204   99.928   0.0000   0.0000   13.761   3.6724  ?   ?       ?      ? 
1 1 1  -16   37   21 o   11.002   4.0812  113.023  115.977  113.023  115.977   0.0000   0.0000   11.002   4.0812  ?   ?       ?      ? 
1 1 1  -16   37   22 o   24.663   2.6931  624.656  128.938  624.656  128.938   0.0000   0.0000   24.663   2.6931  ?   ?       ?      ? 
1 1 1  -16   37   23 o   11.095   4.0638  125.638  114.376  125.638  114.376   0.0000   0.0000   11.095   4.0638  ?   ?       ?      ? 
1 1 1  -16   37   24 o   12.388   4.0761  177.130  113.510  177.130  113.510   0.0000   0.0000   12.388   4.0761  ?   ?       ?      ? 
1 1 1  -16   37   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   38    1 o   18.537   1.1090  332.185   39.746  375.617   58.899  295.869   53.859   19.642   1.5447   17.431   1.5917 2.211060 2.218038 
1 1 1  -16   38    2 o   44.840   0.9820  2020.97   69.121  2069.02   78.064  1846.52  148.731   46.148   0.8714   43.532   1.7601 2.616486 1.963976 
1 1 1  -16   38    3 o   60.445   0.9183  3549.95  107.748  3549.95  107.748   0.0000   0.0000   60.445   0.9183  ?   ?       ?      ? 
1 1 1  -16   38    4 o   43.844   0.8533  1867.49   72.626  1867.49   72.626   0.0000   0.0000   43.844   0.8533  ?   ?       ?      ? 
1 1 1  -16   38    5 o   38.857   1.0656  1433.36   57.661  1417.92   62.450  1522.62  150.149   38.204   0.8421   39.510   1.9577 -1.305988 2.131138 
1 1 1  -16   38    6 o   59.146   0.9062  3403.53   90.052  3404.35  103.974  3401.08  180.150   59.192   0.9049   59.100   1.5703 0.9244919E-01 1.812359 
1 1 1  -16   38    7 o   38.395   1.3136  1434.37   97.784  1503.56  142.678  1373.09  134.280   39.265   1.8719   37.525   1.8434 1.739422 2.627206 
1 1 1  -16   38    8 o   39.596   1.3120  1532.43  100.637  1605.94  140.326  1454.59  144.405   40.583   1.7813   38.609   1.9268 1.974720 2.624000 
1 1 1  -16   38    9 o   31.396   1.5464  981.839   92.442  1101.94  124.654  835.076  137.799   33.597   1.9113   29.195   2.4314 4.401794 3.092754 
1 1 1  -16   38   10 o   40.677   1.6584  1613.81  130.945  1613.81  130.945   0.0000   0.0000   40.677   1.6584  ?   ?       ?      ? 
1 1 1  -16   38   11 o   45.701   1.4848  2036.08  131.725  2036.08  131.725   0.0000   0.0000   45.701   1.4848  ?   ?       ?      ? 
1 1 1  -16   38   12 o   25.193   2.3904  623.614  116.901  623.614  116.901   0.0000   0.0000   25.193   2.3904  ?   ?       ?      ? 
1 1 1  -16   38   13 o   36.367   1.9505  1295.30  137.697  1295.30  137.697   0.0000   0.0000   36.367   1.9505  ?   ?       ?      ? 
1 1 1  -16   38   14 o   42.670   1.6718  1780.64  138.479  1780.64  138.479   0.0000   0.0000   42.670   1.6718  ?   ?       ?      ? 
1 1 1  -16   38   15 f   23.726   2.5755  557.515  118.620  557.515  118.620   0.0000   0.0000   23.726   2.5755  ?   ?       ?      ? 
1 1 1  -16   38   16 o   12.666   4.2612  158.490  123.904  158.490  123.904   0.0000   0.0000   12.666   4.2612  ?   ?       ?      ? 
1 1 1  -16   38   17 o   12.746   3.8614  169.687  103.788  169.687  103.788   0.0000   0.0000   12.746   3.8614  ?   ?       ?      ? 
1 1 1  -16   38   18 o   40.814   1.6688  1639.28  132.213  1639.28  132.213   0.0000   0.0000   40.814   1.6688  ?   ?       ?      ? 
1 1 1  -16   38   19 o   8.8051   3.8180   2.3150  120.709   2.3150  120.709   0.0000   0.0000   8.8051   3.8180  ?   ?       ?      ? 
1 1 1  -16   38   20 o   11.389   3.7749  134.450   97.291  134.450   97.291   0.0000   0.0000   11.389   3.7749  ?   ?       ?      ? 
1 1 1  -16   38   21 o   22.049   2.3858  491.751  102.113  491.751  102.113   0.0000   0.0000   22.049   2.3858  ?   ?       ?      ? 
1 1 1  -16   38   22 o   20.309   3.0032  431.290  118.398  431.290  118.398   0.0000   0.0000   20.309   3.0032  ?   ?       ?      ? 
1 1 1  -16   38   23 o   18.108   3.5367  365.373  119.860  365.373  119.860   0.0000   0.0000   18.108   3.5367  ?   ?       ?      ? 
1 1 1  -16   38   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   39    1 o   25.433   1.4752  640.969   54.846  645.950   60.380  617.470  131.147   25.771   1.2070   25.094   2.6923 0.6769886 2.950442 
1 1 1  -16   39    2 o   33.682   1.1843  1212.43   59.226  1282.09   66.404  941.437  130.965   36.322   0.9418   31.042   2.1734 5.279972 2.368658 
1 1 1  -16   39    3 o   32.120   1.1041  1006.79   53.962  1008.04   59.971  1001.48  123.679   32.207   0.9592   32.034   1.9889 0.1721039 2.208146 
1 1 1  -16   39    4 o   68.632   0.8987  4614.09  110.393  4665.84  132.948  4499.19  198.102   69.287   0.9885   67.978   1.5013 1.309273 1.797467 
1 1 1  -16   39    5 o   63.963   0.9397  3975.98  116.683  3975.98  116.683   0.0000   0.0000   63.963   0.9397  ?   ?       ?      ? 
1 1 1  -16   39    6 o   68.218   0.9768  4597.76  112.765  4671.33  131.213  4389.92  220.544   69.326   0.9750   67.110   1.6930 2.216141 1.953656 
1 1 1  -16   39    7 o   97.588   1.3441  9297.83  254.511  9623.46  360.462  8974.11  359.406   99.301   1.8700   95.875   1.9311 3.426178 2.688155 
1 1 1  -16   39    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   39    9 o   21.342   2.1077  447.224   87.079  419.751  117.914  480.181  129.147   20.629   2.9446   22.055   3.0166 -1.426271 4.215498 
1 1 1  -16   39   10 o   21.949   2.4507  473.348  104.416  473.348  104.416   0.0000   0.0000   21.949   2.4507  ?   ?       ?      ? 
1 1 1  -16   39   11 o   19.104   2.6467  359.650   98.150  359.650   98.150   0.0000   0.0000   19.104   2.6467  ?   ?       ?      ? 
1 1 1  -16   39   12 o   27.173   2.3899  726.442  126.062  726.442  126.062   0.0000   0.0000   27.173   2.3899  ?   ?       ?      ? 
1 1 1  -16   39   13 o   33.771   2.0458  1119.41  134.115  1119.41  134.115   0.0000   0.0000   33.771   2.0458  ?   ?       ?      ? 
1 1 1  -16   39   14 o   40.398   1.6459  1596.99  129.069  1596.99  129.069   0.0000   0.0000   40.398   1.6459  ?   ?       ?      ? 
1 1 1  -16   39   15 o   40.034   1.8873  1574.01  146.666  1574.01  146.666   0.0000   0.0000   40.034   1.8873  ?   ?       ?      ? 
1 1 1  -16   39   16 o   18.562   3.0647  346.537  110.429  346.537  110.429   0.0000   0.0000   18.562   3.0647  ?   ?       ?      ? 
1 1 1  -16   39   17 o   20.404   2.9896  421.245  118.415  421.245  118.415   0.0000   0.0000   20.404   2.9896  ?   ?       ?      ? 
1 1 1  -16   39   18 o   21.702   2.4753  472.720  104.277  472.720  104.277   0.0000   0.0000   21.702   2.4753  ?   ?       ?      ? 
1 1 1  -16   39   19 o   17.153   3.7274  320.091  120.569  320.091  120.569   0.0000   0.0000   17.153   3.7274  ?   ?       ?      ? 
1 1 1  -16   39   20 o   12.424   4.1267  165.328  116.244  165.328  116.244   0.0000   0.0000   12.424   4.1267  ?   ?       ?      ? 
1 1 1  -16   39   21 o   22.728   2.3658  523.985  104.379  523.985  104.379   0.0000   0.0000   22.728   2.3658  ?   ?       ?      ? 
1 1 1  -16   39   22 o   15.746   3.4761  275.268  103.408  275.268  103.408   0.0000   0.0000   15.746   3.4761  ?   ?       ?      ? 
1 1 1  -16   39   23 o   9.1056   3.7137   57.434  103.610   57.434  103.610   0.0000   0.0000   9.1056   3.7137  ?   ?       ?      ? 
1 1 1  -16   39   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   40    1 f   13.806   2.3496  184.401   50.179  181.926   54.875  197.039  123.976   13.642   2.0722   13.969   4.2177 -0.3272409 4.699247 
1 1 1  -16   40    2 o   40.966   1.0260  1626.67   63.964  1621.94   71.016  1646.97  147.234   40.852   0.8955   41.080   1.8464 -0.2272377 2.052074 
1 1 1  -16   40    3 o   24.468   1.4462  538.054   50.883  517.002   55.183  657.535  131.467   23.051   1.2332   25.885   2.6164 -2.833975 2.892450 
1 1 1  -16   40    4 o   36.888   1.1704  1421.89   60.439  1468.82   66.303  1191.26  146.986   38.877   0.8786   34.900   2.1697 3.977383 2.340782 
1 1 1  -16   40    5 o   59.803   0.9464  3558.88   95.179  3640.47  110.605  3326.07  186.844   61.199   0.9310   58.406   1.6480 2.792988 1.892805 
1 1 1  -16   40    6 f   43.143   0.8112  1808.70   67.937  1808.70   67.937   0.0000   0.0000   43.143   0.8112  ?   ?       ?      ? 
1 1 1  -16   40    7 o   91.568   1.2763  8190.82  226.748  8308.15  317.029  8067.95  324.439   92.250   1.7704   90.886   1.8390 1.364220 2.552660 
1 1 1  -16   40    8 o   43.331   1.2077  1835.98  101.338  1978.79  143.191  1692.68  143.437   45.032   1.6381   41.630   1.7750 3.401890 2.415310 
1 1 1  -16   40    9 o   34.474   1.3600  1161.96   90.979  1142.72  126.694  1182.44  130.728   34.181   1.9094   34.766   1.9371 -0.5851364 2.719943 
1 1 1  -16   40   10 o   29.045   1.9006  825.409  107.158  825.409  107.158   0.0000   0.0000   29.045   1.9006  ?   ?       ?      ? 
1 1 1  -16   40   11 o   30.160   1.9677  891.177  115.198  891.177  115.198   0.0000   0.0000   30.160   1.9677  ?   ?       ?      ? 
1 1 1  -16   40   12 o   8.3697   3.7564 -50.6990  126.789 -50.6990  126.789   0.0000   0.0000   8.3697   3.7564  ?   ?       ?      ? 
1 1 1  -16   40   13 o   36.495   1.9113  1306.96  135.405  1306.96  135.405   0.0000   0.0000   36.495   1.9113  ?   ?       ?      ? 
1 1 1  -16   40   14 o   19.074   2.7881  362.138  103.233  362.138  103.233   0.0000   0.0000   19.074   2.7881  ?   ?       ?      ? 
1 1 1  -16   40   15 o   49.525   1.6934  2405.95  162.797  2405.95  162.797   0.0000   0.0000   49.525   1.6934  ?   ?       ?      ? 
1 1 1  -16   40   16 o   8.1966   3.4954   7.9791   98.017   7.9791   98.017   0.0000   0.0000   8.1966   3.4954  ?   ?       ?      ? 
1 1 1  -16   40   17 o   22.323   2.8852  504.937  125.024  504.937  125.024   0.0000   0.0000   22.323   2.8852  ?   ?       ?      ? 
1 1 1  -16   40   18 o   18.078   3.3273  347.388  112.459  347.388  112.459   0.0000   0.0000   18.078   3.3273  ?   ?       ?      ? 
1 1 1  -16   40   19 o   10.685   3.8005  110.875   99.148  110.875   99.148   0.0000   0.0000   10.685   3.8005  ?   ?       ?      ? 
1 1 1  -16   40   20 o   10.249   4.0590   81.499  119.958   81.499  119.958   0.0000   0.0000   10.249   4.0590  ?   ?       ?      ? 
1 1 1  -16   40   21 o   12.549   4.2609  174.891  123.896  174.891  123.896   0.0000   0.0000   12.549   4.2609  ?   ?       ?      ? 
1 1 1  -16   40   22 o   24.175   2.5318  602.767  118.813  602.767  118.813   0.0000   0.0000   24.175   2.5318  ?   ?       ?      ? 
1 1 1  -16   40   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   41    1 o   51.275   0.9229  2624.46   78.808  2688.72   91.188  2434.82  156.649   52.591   0.8932   49.958   1.6153 2.633289 1.845828 
1 1 1  -16   41    2 o   19.388   1.8968  419.240   50.177  443.910   55.659  312.201  115.938   21.349   1.3431   17.426   3.5479 3.922880 3.793648 
1 1 1  -16   41    3 o   16.572   1.9737  250.200   49.269  234.992   54.433  319.126  115.886   15.511   1.8078   17.632   3.5091 -2.120973 3.947431 
1 1 1  -16   41    4 o   14.488   2.1338  179.838   47.099  161.656   51.675  269.077  114.479   12.852   2.0712   16.125   3.7314 -3.272202 4.267678 
1 1 1  -16   41    5 o   32.045   1.0794  1024.94   50.797  1037.95   56.057  965.199  120.110   32.676   0.8838   31.414   1.9696 1.262138 2.158825 
1 1 1  -16   41    6 o   59.536   0.9108  3539.31   92.134  3638.73  107.797  3269.80  177.479   61.178   0.9077   57.895   1.5792 3.282879 1.821509 
1 1 1  -16   41    7 o   5.6452   2.7942 -258.6336  113.858 -258.6336  113.858   0.0000   0.0000   5.6452   2.7942  ?   ?       ?      ? 
1 1 1  -16   41    8 o   72.747   1.1644  5174.60  163.928  5274.07  224.498  5060.98  239.929   73.515   1.5731   71.978   1.7172 1.537689 2.328851 
1 1 1  -16   41    9 o   24.003   1.8636  567.421   84.302  564.718  107.025  571.840  136.837   23.974   2.2998   24.033   2.9331 -0.5910301E-01 3.727240 
1 1 1  -16   41   10 o   14.171   3.6862  208.949  102.364  208.949  102.364   0.0000   0.0000   14.171   3.6862  ?   ?       ?      ? 
1 1 1  -16   41   11 o   55.114   1.5780  2968.58  168.824  2968.58  168.824   0.0000   0.0000   55.114   1.5780  ?   ?       ?      ? 
1 1 1  -16   41   12 o   34.503   2.1578  1171.78  144.523  1171.78  144.523   0.0000   0.0000   34.503   2.1578  ?   ?       ?      ? 
1 1 1  -16   41   13 o   21.531   2.7280  460.940  114.020  460.940  114.020   0.0000   0.0000   21.531   2.7280  ?   ?       ?      ? 
1 1 1  -16   41   14 o   17.864   3.7535  336.454  126.027  336.454  126.027   0.0000   0.0000   17.864   3.7535  ?   ?       ?      ? 
1 1 1  -16   41   15 o   38.650   1.7850  1470.09  133.920  1470.09  133.920   0.0000   0.0000   38.650   1.7850  ?   ?       ?      ? 
1 1 1  -16   41   16 f   14.478   4.0086  227.324  116.505  227.324  116.505   0.0000   0.0000   14.478   4.0086  ?   ?       ?      ? 
1 1 1  -16   41   17 o   26.955   2.2510  726.524  117.781  726.524  117.781   0.0000   0.0000   26.955   2.2510  ?   ?       ?      ? 
1 1 1  -16   41   18 f   9.1740   3.8778   26.727  118.834   26.727  118.834   0.0000   0.0000   9.1740   3.8778  ?   ?       ?      ? 
1 1 1  -16   41   19 o   10.233   3.7807   96.817   99.325   96.817   99.325   0.0000   0.0000   10.233   3.7807  ?   ?       ?      ? 
1 1 1  -16   41   20 o   13.396   3.8406  201.476  105.036  201.476  105.036   0.0000   0.0000   13.396   3.8406  ?   ?       ?      ? 
1 1 1  -16   41   21 o   28.562   2.4270  834.878  134.564  834.878  134.564   0.0000   0.0000   28.562   2.4270  ?   ?       ?      ? 
1 1 1  -16   41   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   41   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   42    1 o   24.522   1.6629  657.091   57.468  693.468   63.600  495.244  134.151   26.686   1.2277   22.358   3.0910 4.328106 3.325865 
1 1 1  -16   42    2 o   54.633   0.9338  2885.26   84.735  2864.43   97.122  2951.66  173.393   54.276   0.9218   54.991   1.6243 -0.7149544 1.867683 
1 1 1  -16   42    3 o   18.845   2.1641  423.301   50.191  449.279   54.393  274.392  130.226   21.476   1.3047   16.215   4.1269 5.260939 4.328225 
1 1 1  -16   42    4 o   43.648   1.0265  1909.27   67.953  1942.03   75.766  1774.56  153.648   44.694   0.8733   42.601   1.8580 2.093437 2.052982 
1 1 1  -16   42    5 o   16.227   2.0724  205.754   43.185  187.472   45.707  357.853  131.836   13.854   1.6995   18.600   3.7802 -4.745810 4.144709 
1 1 1  -16   42    6 o   47.085   0.9417  2219.86   54.748  2238.11   58.303  2083.76  159.213   47.999   0.6257   46.171   1.7764 1.827778 1.883394 
1 1 1  -16   42    7 o   89.708   1.2681  7874.93  220.593  8010.56  306.755  7729.68  317.450   90.526   1.7456   88.890   1.8398 1.636078 2.536132 
1 1 1  -16   42    8 o   9.7600   2.8815   26.507   86.074   19.621  104.773   40.805  150.964   8.8053   3.6764   10.715   4.4382 -1.909530 5.763077 
1 1 1  -16   42    9 o   22.979   1.8860  504.995   80.988  462.948  100.004  585.128  138.056   21.678   2.3764   24.279   2.9292 -2.600706 3.771976 
1 1 1  -16   42   10 f   27.593   2.0749  748.097  111.140  748.097  111.140   0.0000   0.0000   27.593   2.0749  ?   ?       ?      ? 
1 1 1  -16   42   11 f   32.518   2.2395  1042.24  141.366  1042.24  141.366   0.0000   0.0000   32.518   2.2395  ?   ?       ?      ? 
1 1 1  -16   42   12 o   32.065   2.2001  1013.89  136.942  1013.89  136.942   0.0000   0.0000   32.065   2.2001  ?   ?       ?      ? 
1 1 1  -16   42   13 o   24.006   2.2033  569.274  102.675  569.274  102.675   0.0000   0.0000   24.006   2.2033  ?   ?       ?      ? 
1 1 1  -16   42   14 o   38.934   1.9301  1494.88  145.871  1494.88  145.871   0.0000   0.0000   38.934   1.9301  ?   ?       ?      ? 
1 1 1  -16   42   15 o   26.033   2.2698  674.732  114.700  674.732  114.700   0.0000   0.0000   26.033   2.2698  ?   ?       ?      ? 
1 1 1  -16   42   16 o   15.161   4.1162  253.278  124.255  253.278  124.255   0.0000   0.0000   15.161   4.1162  ?   ?       ?      ? 
1 1 1  -16   42   17 o   20.923   2.5931  442.703  105.319  442.703  105.319   0.0000   0.0000   20.923   2.5931  ?   ?       ?      ? 
1 1 1  -16   42   18 o   17.611   3.7358  339.374  123.755  339.374  123.755   0.0000   0.0000   17.611   3.7358  ?   ?       ?      ? 
1 1 1  -16   42   19 o   27.075   2.4547  745.179  129.014  745.179  129.014   0.0000   0.0000   27.075   2.4547  ?   ?       ?      ? 
1 1 1  -16   42   20 o   8.7225   3.7002   27.808  108.824   27.808  108.824   0.0000   0.0000   8.7225   3.7002  ?   ?       ?      ? 
1 1 1  -16   42   21 o   35.756   1.7725  1279.68  123.030  1279.68  123.030   0.0000   0.0000   35.756   1.7725  ?   ?       ?      ? 
1 1 1  -16   42   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   43    1 o   63.076   0.9781  3870.61  119.759  3870.61  119.759   0.0000   0.0000   63.076   0.9781  ?   ?       ?      ? 
1 1 1  -16   43    2 o   28.159   1.2537  815.278   55.759  847.166   63.408  706.508  117.109   29.500   1.1073   26.817   2.2496 2.682981 2.507347 
1 1 1  -16   43    3 o   48.824   0.9156  2367.19   74.874  2412.50   86.754  2234.90  148.236   49.808   0.8973   47.840   1.5962 1.967907 1.831145 
1 1 1  -16   43    4 o   25.598   1.3153  648.382   50.460  652.557   55.918  630.075  117.097   25.891   1.1126   25.306   2.3837 0.5848885 2.630617 
1 1 1  -16   43    5 o   62.996   0.9100  3921.54   99.971  3993.43  118.441  3743.46  186.424   64.072   0.9523   61.921   1.5510 2.151714 1.819982 
1 1 1  -16   43    6 o   42.151   0.8805  1701.56   46.286  1692.61   49.198  1770.49  136.574   41.740   0.6072   42.562   1.6530 -0.8216515 1.761021 
1 1 1  -16   43    7 o   47.226   1.0654  2169.72   97.147  2252.93  146.251  2104.02  129.962   48.022   1.5689   46.431   1.4419 1.590706 2.130870 
1 1 1  -16   43    8 o   22.246   1.6898  487.855   71.789  610.645  104.706  378.929   98.617   24.919   2.1646   19.574   2.5955 5.344954 3.379631 
1 1 1  -16   43    9 o   15.238   2.5746  242.051   75.307  278.587  109.419  209.169  103.803   16.342   3.5507   14.134   3.7293 2.208445 5.149262 
1 1 1  -16   43   10 o   21.587   2.6364  462.253  110.476  462.253  110.476   0.0000   0.0000   21.587   2.6364  ?   ?       ?      ? 
1 1 1  -16   43   11 o   29.538   2.5173  864.972  144.336  864.972  144.336   0.0000   0.0000   29.538   2.5173  ?   ?       ?      ? 
1 1 1  -16   43   12 o   27.530   2.4225  751.696  129.461  751.696  129.461   0.0000   0.0000   27.530   2.4225  ?   ?       ?      ? 
1 1 1  -16   43   13 o   25.196   2.3922  631.388  117.003  631.388  117.003   0.0000   0.0000   25.196   2.3922  ?   ?       ?      ? 
1 1 1  -16   43   14 o   12.632   4.3223  162.015  127.502  162.015  127.502   0.0000   0.0000   12.632   4.3223  ?   ?       ?      ? 
1 1 1  -16   43   15 o   26.211   2.2485  685.835  114.403  685.835  114.403   0.0000   0.0000   26.211   2.2485  ?   ?       ?      ? 
1 1 1  -16   43   16 o   18.729   3.5605  376.835  124.716  376.835  124.716   0.0000   0.0000   18.729   3.5605  ?   ?       ?      ? 
1 1 1  -16   43   17 o   14.421   4.0862  230.963  119.607  230.963  119.607   0.0000   0.0000   14.421   4.0862  ?   ?       ?      ? 
1 1 1  -16   43   18 o   15.675   3.5644  269.923  106.006  269.923  106.006   0.0000   0.0000   15.675   3.5644  ?   ?       ?      ? 
1 1 1  -16   43   19 o   15.361   4.2841  274.078  132.567  274.078  132.567   0.0000   0.0000   15.361   4.2841  ?   ?       ?      ? 
1 1 1  -16   43   20 o   29.349   2.4533  883.659  139.767  883.659  139.767   0.0000   0.0000   29.349   2.4533  ?   ?       ?      ? 
1 1 1  -16   43   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   43   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   44    1 o   22.957   1.6003  482.420   57.025  460.014   63.130  581.752  132.920   21.702   1.4985   24.213   2.8280 -2.510290 3.200505 
1 1 1  -16   44    2 o   14.504   2.3475  171.267   52.112  144.225   57.018  308.435  128.413   11.865   2.5515   17.143   3.9413 -5.278377 4.695050 
1 1 1  -16   44    3 o   27.114   1.4021  706.765   54.174  700.006   59.021  742.920  136.510   26.808   1.1342   27.420   2.5647 -0.6117878 2.804255 
1 1 1  -16   44    4 o   33.333   1.2123  1168.97   57.164  1211.35   62.933  969.085  136.681   35.287   0.9188   31.380   2.2438 3.906292 2.424618 
1 1 1  -16   44    5 o   10.435   2.4069  104.783   43.430  110.131   46.071   62.116  130.131   10.372   2.3436   10.499   4.2049 -0.1277876 4.813846 
1 1 1  -16   44    6 o   49.761   0.9422  2514.91   59.982  2549.47   64.332  2284.98  165.932   51.220   0.6470   48.301   1.7697 2.919754 1.884315 
1 1 1  -16   44    7 o   69.062   1.1190  4670.65  149.796  4835.98  208.857  4495.52  214.962   70.339   1.5296   67.784   1.6337 2.554642 2.238016 
1 1 1  -16   44    8 o   30.555   1.4303  930.531   81.342  966.163  102.664  870.437  133.324   31.411   1.6837   29.699   2.3126 1.712517 2.860620 
1 1 1  -16   44    9 o   10.028   2.4658   65.074   72.904  171.188   92.875 -105.2759  117.675   12.820   3.5896   7.2372   3.3816 5.582627 4.931600 
1 1 1  -16   44   10 o   25.718   2.3201  654.076  115.830  654.076  115.830   0.0000   0.0000   25.718   2.3201  ?   ?       ?      ? 
1 1 1  -16   44   11 o   46.741   1.6548  2142.90  150.146  2142.90  150.146   0.0000   0.0000   46.741   1.6548  ?   ?       ?      ? 
1 1 1  -16   44   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   44   13 o   14.919   4.1184  242.048  123.183  242.048  123.183   0.0000   0.0000   14.919   4.1184  ?   ?       ?      ? 
1 1 1  -16   44   14 o   9.4403   3.9481   34.478  121.117   34.478  121.117   0.0000   0.0000   9.4403   3.9481  ?   ?       ?      ? 
1 1 1  -16   44   15 o   11.308   4.2250  117.210  124.737  117.210  124.737   0.0000   0.0000   11.308   4.2250  ?   ?       ?      ? 
1 1 1  -16   44   16 o   21.554   2.9489  476.004  123.380  476.004  123.380   0.0000   0.0000   21.554   2.9489  ?   ?       ?      ? 
1 1 1  -16   44   17 o   34.133   2.1582  1169.30  142.996  1169.30  142.996   0.0000   0.0000   34.133   2.1582  ?   ?       ?      ? 
1 1 1  -16   44   18 o   21.048   2.7613  457.101  112.821  457.101  112.821   0.0000   0.0000   21.048   2.7613  ?   ?       ?      ? 
1 1 1  -16   44   19 o   9.3803   3.9577   41.614  123.413   41.614  123.413   0.0000   0.0000   9.3803   3.9577  ?   ?       ?      ? 
1 1 1  -16   44   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   44   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   45    1 o   36.710   1.0165  1297.06   62.928  1277.75   72.543  1355.78  126.483   36.223   1.0317   37.196   1.7517 -0.9736214 2.032959 
1 1 1  -16   45    2 o   6.7669   2.1874 -46.8599   50.710 -57.3260   56.769  -5.5323  112.807   4.9661   2.3295   8.5676   3.7030 -3.601568 4.374739 
1 1 1  -16   45    3 o   32.741   1.0828  984.262   55.220  944.315   61.255  1157.54  127.578   31.142   1.0133   34.340   1.9138 -3.197983 2.165517 
1 1 1  -16   45    4 o   20.156   1.5338  359.774   47.342  337.132   52.020  468.938  114.224   18.577   1.4425   21.734   2.7073 -3.157068 3.067674 
1 1 1  -16   45    5 o   44.102   0.9544  1944.76   65.997  1978.52   74.392  1819.99  143.013   45.098   0.8498   43.105   1.7091 1.992947 1.908740 
1 1 1  -16   45    6 o   24.162   1.3716  562.865   30.273  561.454   31.195  585.681  125.441   24.034   0.6686   24.290   2.6604 -0.2561569 2.743102 
1 1 1  -16   45    7 o   15.828   2.4829  278.400   81.011  423.486  108.630   96.602  121.599   20.639   2.7115   11.017   4.1602 9.621386 4.965820 
1 1 1  -16   45    8 o   32.789   1.2965  1038.33   80.811  975.422  102.967  1139.23  130.401   31.547   1.6814   34.031   1.9740 -2.483797 2.593003 
1 1 1  -16   45    9 o   21.825   2.4253  472.383  102.752  472.383  102.752   0.0000   0.0000   21.825   2.4253  ?   ?       ?      ? 
1 1 1  -16   45   10 o   43.129   1.6864  1826.35  141.187  1826.35  141.187   0.0000   0.0000   43.129   1.6864  ?   ?       ?      ? 
1 1 1  -16   45   11 o   30.408   2.0034  914.044  118.252  914.044  118.252   0.0000   0.0000   30.408   2.0034  ?   ?       ?      ? 
1 1 1  -16   45   12 o   5.0210   2.4915 -214.0367   92.676 -214.0367   92.676   0.0000   0.0000   5.0210   2.4915  ?   ?       ?      ? 
1 1 1  -16   45   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   45   14 o   28.766   2.1373  825.950  119.345  825.950  119.345   0.0000   0.0000   28.766   2.1373  ?   ?       ?      ? 
1 1 1  -16   45   15 o   28.522   2.4753  820.286  137.047  820.286  137.047   0.0000   0.0000   28.522   2.4753  ?   ?       ?      ? 
1 1 1  -16   45   16 f   52.335   1.5566  2704.56  158.141  2704.56  158.141   0.0000   0.0000   52.335   1.5566  ?   ?       ?      ? 
1 1 1  -16   45   17 o   33.772   2.2357  1151.65  146.569  1151.65  146.569   0.0000   0.0000   33.772   2.2357  ?   ?       ?      ? 
1 1 1  -16   45   18 o   14.582   4.4133  249.542  135.619  249.542  135.619   0.0000   0.0000   14.582   4.4133  ?   ?       ?      ? 
1 1 1  -16   45   19 o   6.2857   3.0326 -144.6176  110.946 -144.6176  110.946   0.0000   0.0000   6.2857   3.0326  ?   ?       ?      ? 
1 1 1  -16   45   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   46    1 o   8.6074   2.3723   53.832   53.609   77.861   59.146 -56.7837  126.899   8.9755   2.9418   8.2394   3.7225 0.7361183 4.744595 
1 1 1  -16   46    2 o   39.697   1.0739  1542.91   64.837  1543.76   72.055  1539.29  148.630   39.823   0.9321   39.572   1.9349 0.2509117 2.147714 
1 1 1  -16   46    3 o   31.542   1.2015  938.128   56.032  918.784   61.456  1033.42  136.406   30.712   1.0309   32.372   2.1707 -1.659861 2.403060 
1 1 1  -16   46    4 o   12.393   2.3063  174.559   47.734  189.082   51.648   89.483  125.005   13.870   1.9182   10.917   4.1949 2.953547 4.612693 
1 1 1  -16   46    5 o   46.667   0.9012  2105.56   55.121  2098.43   59.102  2153.22  152.764   46.463   0.6553   46.871   1.6790 -0.4079132 1.802361 
1 1 1  -16   46    6 f   48.006   0.8691  2265.54   55.037  2271.66   59.170  2226.26  149.896   48.344   0.6305   47.669   1.6199 0.6755600 1.738293 
1 1 1  -16   46    7 o   11.337   2.3143  108.220   72.105  252.324   94.338 -94.2450  111.821   15.557   3.2296   7.1169   3.3157 8.440035 4.628611 
1 1 1  -16   46    8 o   13.167   2.6915  184.190   72.240  196.906   92.838  164.675  115.012   13.656   3.4893   12.679   4.0989 0.9763060 5.382966 
1 1 1  -16   46    9 o   40.039   1.6047  1573.73  124.725  1573.73  124.725   0.0000   0.0000   40.039   1.6047  ?   ?       ?      ? 
1 1 1  -16   46   10 o   11.429   4.1109  122.502  116.313  122.502  116.313   0.0000   0.0000   11.429   4.1109  ?   ?       ?      ? 
1 1 1  -16   46   11 f   31.156   1.7351  957.042  104.941  957.042  104.941   0.0000   0.0000   31.156   1.7351  ?   ?       ?      ? 
1 1 1  -16   46   12 o   27.924   2.1860  777.812  118.491  777.812  118.491   0.0000   0.0000   27.924   2.1860  ?   ?       ?      ? 
1 1 1  -16   46   13 o   31.516   2.0066  988.225  122.758  988.225  122.758   0.0000   0.0000   31.516   2.0066  ?   ?       ?      ? 
1 1 1  -16   46   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   46   15 o   15.416   4.2718  269.404  132.249  269.404  132.249   0.0000   0.0000   15.416   4.2718  ?   ?       ?      ? 
1 1 1  -16   46   16 o   35.681   2.1583  1281.44  149.491  1281.44  149.491   0.0000   0.0000   35.681   2.1583  ?   ?       ?      ? 
1 1 1  -16   46   17 o   12.056   4.2904  156.262  126.374  156.262  126.374   0.0000   0.0000   12.056   4.2904  ?   ?       ?      ? 
1 1 1  -16   46   18 o   19.044   4.0200  416.721  143.944  416.721  143.944   0.0000   0.0000   19.044   4.0200  ?   ?       ?      ? 
1 1 1  -16   46   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   46   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   47    1 o   11.977   2.3362  158.016   52.695  173.782   60.327  107.261  108.240   13.018   2.4778   10.936   3.9612 2.081505 4.672314 
1 1 1  -16   47    2 o   17.322   1.8686  286.480   50.531  273.630   56.779  335.419  110.805   16.689   1.7526   17.956   3.3007 -1.266508 3.737107 
1 1 1  -16   47    3 o   12.719   1.9393  230.554   49.760  301.323   56.159 -27.9660  107.336   17.526   1.6508   7.9130   3.5098 9.612661 3.878593 
1 1 1  -16   47    4 o   36.269   0.9028  1280.94   63.559  1280.94   63.559   0.0000   0.0000   36.269   0.9028  ?   ?       ?      ? 
1 1 1  -16   47    5 o   11.891   2.2179  155.418   33.494  160.061   34.752   94.780  125.589   12.791   1.3997   10.992   4.2092 1.798670 4.435855 
1 1 1  -16   47    6 o   41.291   1.0132  1693.84   46.815  1699.49   49.173  1639.18  153.039   41.812   0.6058   40.770   1.9337 1.041763 2.026412 
1 1 1  -16   47    7 o   10.207   2.7660   82.611   75.513  105.952   90.869   30.519  135.752   10.528   3.6466   9.8866   4.1599 0.6414289 5.531960 
1 1 1  -16   47    8 o   9.1312   2.5671   38.255   75.071  105.987   91.613 -100.1894  130.978   10.523   3.6606   7.7395   3.6000 2.783404 5.134147 
1 1 1  -16   47    9 o   32.725   1.8737  1058.07  119.023  1058.07  119.023   0.0000   0.0000   32.725   1.8737  ?   ?       ?      ? 
1 1 1  -16   47   10 o   19.742   2.8308  394.974  108.482  394.974  108.482   0.0000   0.0000   19.742   2.8308  ?   ?       ?      ? 
1 1 1  -16   47   11 o   8.2255   3.4760   17.454   95.453   17.454   95.453   0.0000   0.0000   8.2255   3.4760  ?   ?       ?      ? 
1 1 1  -16   47   12 o   29.177   2.1463  849.994  121.562  849.994  121.562   0.0000   0.0000   29.177   2.1463  ?   ?       ?      ? 
1 1 1  -16   47   13 o   9.8137   3.7919   76.537  102.557   76.537  102.557   0.0000   0.0000   9.8137   3.7919  ?   ?       ?      ? 
1 1 1  -16   47   14 o   13.896   4.0944  215.622  117.924  215.622  117.924   0.0000   0.0000   13.896   4.0944  ?   ?       ?      ? 
1 1 1  -16   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   47   16 o   26.353   2.9151  723.610  149.124  723.610  149.124   0.0000   0.0000   26.353   2.9151  ?   ?       ?      ? 
1 1 1  -16   47   17 o   24.473   2.7050  621.414  128.507  621.414  128.507   0.0000   0.0000   24.473   2.7050  ?   ?       ?      ? 
1 1 1  -16   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   48    1 o   20.994   1.7429  430.125   57.795  422.798   64.839  458.459  127.506   20.741   1.6104   21.247   3.0914 -0.5058975 3.485740 
1 1 1  -16   48    2 o   33.666   1.1883  1053.81   62.698  1013.95   69.758  1221.36  143.021   32.226   1.1151   35.106   2.0987 -2.880398 2.376565 
1 1 1  -16   48    3 o   35.954   1.0702  1252.99   60.185  1242.50   67.356  1294.54  134.043   35.699   0.9720   36.209   1.9071 -0.5098000 2.140475 
1 1 1  -16   48    4 o   10.742   2.4134   73.914   47.178   44.867   51.871  213.014  113.510   7.4130   2.7334   14.072   3.9784 -6.658796 4.826886 
1 1 1  -16   48    5 o   6.7331   1.9015   31.789   32.396   47.728   34.018 -123.4496  106.167   6.9851   2.2262   6.4811   3.0834 0.5040026 3.803092 
1 1 1  -16   48    6 o   23.670   1.1341  552.456   30.304  552.850   31.845  548.682   98.604   23.838   0.6882   23.502   2.1613 0.3359814 2.268260 
1 1 1  -16   48    7 o   8.6505   2.5433   21.551   72.936   65.835   96.060 -38.7334  112.078   9.4458   3.6642   7.8551   3.5282 1.590698 5.086678 
1 1 1  -16   48    8 o   17.627   2.4447  337.885   80.118  390.438  105.652  266.773  122.901   19.646   2.7703   15.608   4.0289 4.037846 4.889450 
1 1 1  -16   48    9 o   6.8775   3.2420 -108.4086  112.366 -108.4086  112.366   0.0000   0.0000   6.8775   3.2420  ?   ?       ?      ? 
1 1 1  -16   48   10 o   26.332   1.9807  689.363  101.245  689.363  101.245   0.0000   0.0000   26.332   1.9807  ?   ?       ?      ? 
1 1 1  -16   48   11 o   9.7908   3.7681   76.735  100.966   76.735  100.966   0.0000   0.0000   9.7908   3.7681  ?   ?       ?      ? 
1 1 1  -16   48   12 o   12.468   4.1629  165.260  118.244  165.260  118.244   0.0000   0.0000   12.468   4.1629  ?   ?       ?      ? 
1 1 1  -16   48   13 o   10.134   3.6854   97.115   93.831   97.115   93.831   0.0000   0.0000   10.134   3.6854  ?   ?       ?      ? 
1 1 1  -16   48   14 o   18.652   3.5919  381.265  125.331  381.265  125.331   0.0000   0.0000   18.652   3.5919  ?   ?       ?      ? 
1 1 1  -16   48   15 o   17.243   3.1518  320.618  101.609  320.618  101.609   0.0000   0.0000   17.243   3.1518  ?   ?       ?      ? 
1 1 1  -16   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   49    1 o   33.064   1.1206  1064.30   64.070  1050.59   74.960  1101.47  123.433   32.774   1.1782   33.353   1.9065 -0.5787621 2.241164 
1 1 1  -16   49    2 o   25.199   1.3940  640.999   58.088  652.348   66.951  606.443  116.825   25.800   1.3368   24.598   2.4467 1.201796 2.788049 
1 1 1  -16   49    3 o   33.756   1.1036  1190.56   58.751  1247.95   66.979  999.091  122.342   35.767   0.9647   31.745   1.9853 4.021877 2.207289 
1 1 1  -16   49    4 o   17.600   2.2069  412.055   50.930  456.358   56.007  200.430  122.409   21.578   1.3371   13.622   4.2064 7.956110 4.413781 
1 1 1  -16   49    5 o   18.075   1.9318  321.721   33.985  319.414   35.283  351.346  126.458   18.090   1.0048   18.059   3.7308 0.3070068E-01 3.863688 
1 1 1  -16   49    6 o   21.297   1.6791  479.950   30.304  483.110   31.171  425.524  129.357   22.277   0.7208   20.317   3.2800 1.960201 3.358254 
1 1 1  -16   49    7 o   10.104   2.6496   48.390   71.496 -19.9401   87.876  182.188  122.967   7.1709   3.1784   13.036   4.2402 -5.865567 5.299211 
1 1 1  -16   49    8 o   31.866   1.2948  1002.92   79.932  1094.94  116.438  920.922  109.924   33.254   1.8038   30.478   1.8579 2.775057 2.589538 
1 1 1  -16   49    9 o   18.299   3.3020  355.535  112.977  355.535  112.977   0.0000   0.0000   18.299   3.3020  ?   ?       ?      ? 
1 1 1  -16   49   10 o   17.900   2.7444  325.849   95.358  325.849   95.358   0.0000   0.0000   17.900   2.7444  ?   ?       ?      ? 
1 1 1  -16   49   11 o   26.686   2.2980  716.055  119.042  716.055  119.042   0.0000   0.0000   26.686   2.2980  ?   ?       ?      ? 
1 1 1  -16   49   12 o   11.613   4.1080  138.534  115.687  138.534  115.687   0.0000   0.0000   11.613   4.1080  ?   ?       ?      ? 
1 1 1  -16   49   13 f   6.5437   3.1334 -134.8485  113.442 -134.8485  113.442   0.0000   0.0000   6.5437   3.1334  ?   ?       ?      ? 
1 1 1  -16   49   14 o   20.187   3.0426  427.280  119.230  427.280  119.230   0.0000   0.0000   20.187   3.0426  ?   ?       ?      ? 
1 1 1  -16   49   15 o   16.323   4.1787  311.010  132.972  311.010  132.972   0.0000   0.0000   16.323   4.1787  ?   ?       ?      ? 
1 1 1  -16   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   50    1 o   17.891   2.1893  340.306   61.321  345.697   69.877  322.248  127.887   18.658   1.9293   17.123   3.9306 1.534502 4.378604 
1 1 1  -16   50    2 o   7.6257   2.3682   1.4246   59.087   13.641   66.920 -41.7877  125.859   6.9949   2.9308   8.2565   3.7208 -1.261636 4.736464 
1 1 1  -16   50    3 o   7.8020   2.3093   27.107   53.276   45.528   59.712 -44.7934  117.969   7.6723   2.9109   7.9318   3.5858 -0.2594347 4.618592 
1 1 1  -16   50    4 o   7.1785   2.1563   15.738   37.025   14.168   39.633   26.512  103.796   5.6616   2.3016   8.6954   3.6470 -3.033708 4.312509 
1 1 1  -16   50    5 o   7.3386   2.0919   37.199   34.540   44.681   36.466 -28.0854  107.721   6.8656   2.3117   7.8117   3.4872 -0.9460988 4.183864 
1 1 1  -16   50    6 o   18.095   1.9372  378.866   29.966  384.946   30.986  291.067  117.745   19.875   0.8031   16.315   3.7902 3.559799 3.874321 
1 1 1  -16   50    7 o   24.340   1.8704  637.324   82.264  758.311  106.434  457.802  129.649   27.614   1.9856   21.067   3.1703 6.546703 3.740786 
1 1 1  -16   50    8 o   11.259   3.9664  126.078  107.745  126.078  107.745   0.0000   0.0000   11.259   3.9664  ?   ?       ?      ? 
1 1 1  -16   50    9 f   15.726   3.5619  269.117  106.207  269.117  106.207   0.0000   0.0000   15.726   3.5619  ?   ?       ?      ? 
1 1 1  -16   50   10 o   13.314   3.6514  194.840   97.201  194.840   97.201   0.0000   0.0000   13.314   3.6514  ?   ?       ?      ? 
1 1 1  -16   50   11 o   10.412   4.0909   88.219  120.951   88.219  120.951   0.0000   0.0000   10.412   4.0909  ?   ?       ?      ? 
1 1 1  -16   50   12 o   13.207   3.8235  195.432  103.646  195.432  103.646   0.0000   0.0000   13.207   3.8235  ?   ?       ?      ? 
1 1 1  -16   50   13 o   17.384   3.7693  339.321  123.533  339.321  123.533   0.0000   0.0000   17.384   3.7693  ?   ?       ?      ? 
1 1 1  -16   50   14 o   21.577   2.6920  482.622  112.752  482.622  112.752   0.0000   0.0000   21.577   2.6920  ?   ?       ?      ? 
1 1 1  -16   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   51    1 o   6.9988   2.1774 -21.3097   60.032   32.497   69.617 -177.3551  118.555   7.6179   3.0668   6.3798   3.0917 1.238079 4.354748 
1 1 1  -16   51    2 o   6.9932   2.2365 -37.7222   57.944 -51.6248   68.253  -1.8412  109.648   5.6561   2.6198   8.3303   3.6255 -2.674262 4.472974 
1 1 1  -16   51    3 o   17.274   1.8818  257.470   54.084  220.859   60.688  398.755  119.218   14.878   2.1014   19.670   3.1223 -4.792063 3.763586 
1 1 1  -16   51    4 o   22.271   1.5897  517.952   40.699  523.574   43.010  469.812  125.861   23.158   0.9567   21.383   3.0321 1.774914 3.179499 
1 1 1  -16   51    5 o   26.932   1.4077  778.488   39.973  790.682   41.894  654.556  133.558   28.489   0.7575   25.374   2.7115 3.115259 2.815376 
1 1 1  -16   51    6 o   30.323   1.0941  819.500   34.631  804.349   35.940  1016.18  129.490   28.748   0.6440   31.898   2.0912 -3.150270 2.188155 
1 1 1  -16   51    7 f   7.2117   2.3504 -74.4052   77.009 -117.0183  106.616 -27.9208  111.353   6.5072   3.0941   7.9162   3.5389 -1.408961 4.700761 
1 1 1  -16   51    8 o   6.4449   3.0841 -132.2074  109.513 -132.2074  109.513   0.0000   0.0000   6.4449   3.0841  ?   ?       ?      ? 
1 1 1  -16   51    9 o   17.583   2.7976  317.930   95.486  317.930   95.486   0.0000   0.0000   17.583   2.7976  ?   ?       ?      ? 
1 1 1  -16   51   10 o   15.226   3.7586  259.188  110.418  259.188  110.418   0.0000   0.0000   15.226   3.7586  ?   ?       ?      ? 
1 1 1  -16   51   11 o   20.015   3.1102  420.731  120.840  420.731  120.840   0.0000   0.0000   20.015   3.1102  ?   ?       ?      ? 
1 1 1  -16   51   12 o   11.876   3.7583  156.167   97.086  156.167   97.086   0.0000   0.0000   11.876   3.7583  ?   ?       ?      ? 
1 1 1  -16   51   13 o   23.560   2.8644  580.905  130.996  580.905  130.996   0.0000   0.0000   23.560   2.8644  ?   ?       ?      ? 
1 1 1  -16   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   52    1 o   32.148   1.2476  995.497   67.453  966.009   77.456  1088.05  137.225   31.363   1.2722   32.932   2.1466 -1.569124 2.495268 
1 1 1  -16   52    2 f   33.587   1.2420  1128.45   68.040  1136.64   77.738  1101.61  140.673   34.052   1.1761   33.123   2.1878 0.9288406 2.483900 
1 1 1  -16   52    3 o   16.665   2.2137  300.214   55.410  305.117   61.903  280.455  124.276   17.523   1.8199   15.807   4.0361 1.715569 4.427396 
1 1 1  -16   52    4 o   8.8684   2.1839   68.172   37.606   64.236   41.279   87.382   91.195   7.9410   2.4411   9.7959   3.6219 -1.854876 4.367754 
1 1 1  -16   52    5 o   16.396   1.8100  209.735   35.177  193.191   36.857  378.950  117.872   14.014   1.3548   18.778   3.3569 -4.763654 3.620026 
1 1 1  -16   52    6 o   24.608   1.5279  618.772   32.941  620.157   33.913  595.649  138.569   25.232   0.6924   23.984   2.9763 1.247517 3.055751 
1 1 1  -16   52    7 o   23.440   2.0087  581.497   87.845  638.263  113.843  497.955  138.108   25.116   2.3350   21.763   3.2691 3.353128 4.017406 
1 1 1  -16   52    8 o   17.935   3.3148  347.946  111.156  347.946  111.156   0.0000   0.0000   17.935   3.3148  ?   ?       ?      ? 
1 1 1  -16   52    9 o   10.403   3.8755  102.757  104.801  102.757  104.801   0.0000   0.0000   10.403   3.8755  ?   ?       ?      ? 
1 1 1  -16   52   10 o   6.5660   3.1464 -135.3551  114.847 -135.3551  114.847   0.0000   0.0000   6.5660   3.1464  ?   ?       ?      ? 
1 1 1  -16   52   11 o   9.6408   3.8364   72.670  107.631   72.670  107.631   0.0000   0.0000   9.6408   3.8364  ?   ?       ?      ? 
1 1 1  -16   52   12 o   10.513   4.0238  104.868  114.728  104.868  114.728   0.0000   0.0000   10.513   4.0238  ?   ?       ?      ? 
1 1 1  -16   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   53    1 o   25.101   1.5652  615.542   66.223  595.172   76.142  678.807  134.187   24.507   1.6005   25.695   2.6903 -1.187792 3.130368 
1 1 1  -16   53    2 o   19.751   1.9960  455.200   61.657  514.462   73.144  309.718  114.604   22.771   1.6547   16.730   3.6329 6.040981 3.991997 
1 1 1  -16   53    3 o   15.144   2.2547  293.029   43.524  309.180   46.359  172.992  126.386   17.718   1.3479   12.570   4.3033 5.148114 4.509461 
1 1 1  -16   53    4 o   11.490   2.1687  170.033   39.916  184.746   41.778   15.917  135.215   13.659   1.5756   9.3201   4.0411 4.339190 4.337396 
1 1 1  -16   53    5 o   12.471   2.3224  138.094   34.594  133.270   35.886  201.512  130.107   11.597   1.5941   13.344   4.3626 -1.747183 4.644735 
1 1 1  -16   53    6 o   18.812   1.5721  283.144   30.857  271.023   31.901  459.189  121.577   16.642   0.9875   20.981   2.9852 -4.338314 3.144241 
1 1 1  -16   53    7 o   8.3289   2.6021  -9.6783   82.398 -23.2830  111.880   6.4480  121.808   7.9205   3.5436   8.7373   3.8115 -0.8168125 5.204265 
1 1 1  -16   53    8 o   9.2062   3.7428   55.873  104.817   55.873  104.817   0.0000   0.0000   9.2062   3.7428  ?   ?       ?      ? 
1 1 1  -16   53    9 o   7.6753   3.3728  -5.1075   96.933  -5.1075   96.933   0.0000   0.0000   7.6753   3.3728  ?   ?       ?      ? 
1 1 1  -16   53   10 o   16.540   3.8896  313.561  122.790  313.561  122.790   0.0000   0.0000   16.540   3.8896  ?   ?       ?      ? 
1 1 1  -16   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   53   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   54    1 o   35.712   1.1940  1235.87   70.477  1206.04   80.378  1335.07  146.581   35.032   1.1820   36.393   2.0749 -1.360901 2.387949 
1 1 1  -16   54    2 o   24.689   1.8080  690.650   66.672  739.795   75.501  516.616  142.078   27.363   1.4214   22.014   3.3248 5.349632 3.615914 
1 1 1  -16   54    3 o   15.236   2.1069  179.460   44.206  153.484   47.173  366.705  126.651   12.365   1.9653   18.107   3.7275 -5.742123 4.213879 
1 1 1  -16   54    4 o   6.7247   2.0867   12.525   39.556   23.645   42.066 -72.3769  116.234   6.1015   2.4077   7.3479   3.4088 -1.246449 4.173389 
1 1 1  -16   54    5 o   6.6888   2.0873   16.866   34.811   26.317   36.097 -108.6921  131.570   5.9301   2.2600   7.4475   3.5100 -1.517390 4.174635 
1 1 1  -16   54    6 o   17.233   2.1574  288.904   31.314  285.615   32.123  351.685  140.347   17.081   0.9688   17.386   4.2046 -0.3049831 4.314752 
1 1 1  -16   54    7 o   16.161   2.5176  285.203   77.025  377.752  117.462  215.385  102.023   18.548   3.3872   13.775   3.7256 4.773572 5.035215 
1 1 1  -16   54    8 o   30.051   1.8209  904.693  106.223  904.693  106.223   0.0000   0.0000   30.051   1.8209  ?   ?       ?      ? 
1 1 1  -16   54    9 o   11.625   4.1447  147.656  117.987  147.656  117.987   0.0000   0.0000   11.625   4.1447  ?   ?       ?      ? 
1 1 1  -16   54   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   54   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   54   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   55    1 o   28.861   1.3732  752.493   68.314  663.594   78.288  1036.22  139.861   25.840   1.5608   31.883   2.2598 -6.043024 2.746446 
1 1 1  -16   55    2 o   26.060   1.5053  723.920   65.971  768.008   77.764  610.722  124.604   27.850   1.4384   24.270   2.6448 3.579964 3.010670 
1 1 1  -16   55    3 o   18.253   2.2595  423.227   48.278  444.753   51.711  277.054  134.753   21.244   1.2539   15.262   4.3416 5.982497 4.519086 
1 1 1  -16   55    4 f   8.5334   2.4632   41.159   41.006   37.162   42.990   81.504  136.579   6.6680   2.4825   10.399   4.2551 -3.730860 4.926345 
1 1 1  -16   55    5 o   6.6648   2.0638   16.439   35.949   25.516   37.730 -72.9395  118.391   5.9571   2.3004   7.3724   3.4270 -1.415250 4.127529 
1 1 1  -16   55    6 o   26.683   1.1753  563.977   34.801  536.397   36.152  912.599  128.529   23.434   0.7947   29.932   2.2121 -6.498020 2.350525 
1 1 1  -16   55    7 o   21.592   2.7326  487.638  114.532  487.638  114.532   0.0000   0.0000   21.592   2.7326  ?   ?       ?      ? 
1 1 1  -16   55    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   55    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   55   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   55   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   56    1 o   7.5063   2.3919 -37.2715   64.100 -66.0328   74.405   45.529  126.245   5.6348   2.6507   9.3779   3.9822 -3.743064 4.783754 
1 1 1  -16   56    2 o   10.783   2.4302  128.793   46.814  135.174   49.735   79.198  138.654   11.283   2.3472   10.284   4.2560 0.9993734 4.860308 
1 1 1  -16   56    3 o   22.495   1.5452  490.242   49.163  478.229   53.390  557.236  126.078   22.010   1.2496   22.979   2.8264 -0.9690437 3.090315 
1 1 1  -16   56    4 o   6.2237   2.0173  -7.2168   40.630   6.0357   43.218 -108.0410  119.207   5.5104   2.3344   6.9370   3.2907 -1.426599 4.034588 
1 1 1  -16   56    5 o   8.4693   2.5978  -1.3192   85.246   75.338  106.974 -134.6951  141.105   9.5543   3.8174   7.3843   3.5246 2.170059 5.195682 
1 1 1  -16   56    6 o   10.449   4.2438   93.677  134.590   0.0000   0.0000   93.677  134.590  ?   ?    10.449   4.2438      ?      ? 
1 1 1  -16   56    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   56    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   56    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   57    1 o   24.181   1.9063  594.156   87.649  499.819  111.198  748.921  142.427   21.793   2.6286   26.569   2.7615 -4.776543 3.812523 
1 1 1  -16   57    2 o   6.8435   2.2355 -68.2170   53.381 -96.4057   59.433   49.424  121.415   4.4291   2.1562   9.2579   3.9168 -4.828839 4.471051 
1 1 1  -16   57    3 o   20.343   1.6360  414.728   64.603  414.728   64.603   0.0000   0.0000   20.343   1.6360  ?   ?       ?      ? 
1 1 1  -16   57    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   57    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -16   57    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15    0    1 o  262.222   2.1169 66834.79  1076.80 66837.23  1501.32 66832.21  1545.27  262.233   2.9502  262.212   3.0368 -0.000000 0.000000 
1 1 1  -15    0    2 o  177.418   1.7130 30546.88  589.112 29703.69  811.169 31488.00  856.977  174.832   2.3912  180.004   2.4536 -0.000000 0.000000 
1 1 1  -15    0    3 o   71.674   3.9441  5116.14  535.979  5282.29  719.348  4908.78  803.610   73.130   5.1252   70.218   5.9963 -0.000000 0.000000 
1 1 1  -15    0    4 o   89.600   1.0802  7791.45  187.638  7452.89  260.390  8157.15  270.626   87.576   1.5328   91.625   1.5225 -0.000000 0.000000 
1 1 1  -15    0    5 o   36.978   5.6198  1502.21  353.780  1443.19  488.119  1567.52  513.486   36.120   7.9570   37.835   7.9382 -0.000000 0.000000 
1 1 1  -15    0    6 o   34.921   6.7968  1511.83  433.735  2265.03  619.861  789.267  607.125   46.497   7.4381   23.346   11.378 -0.000000 0.000000 
1 1 1  -15    0    7 o  195.305   1.8473 37071.17  700.041 37521.81  992.592 36625.20  987.443  196.488   2.6034  194.123   2.6215 -0.000000 0.000000 
1 1 1  -15    0    8 o   44.374   0.8198  1914.38   70.484  1874.92   98.254  1956.21  101.168   43.903   1.1547   44.845   1.1639 -0.000000 0.000000 
1 1 1  -15    0    9 o   17.018   1.7205  309.633   48.790  402.476   68.027  211.291   70.013   20.129   1.7726   13.907   2.9493 -0.000000 0.000000 
1 1 1  -15    0   10 o  125.754   1.3747 15367.20  335.363 15304.57  470.015 15432.15  478.653  125.494   1.9304  126.014   1.9578 -0.000000 0.000000 
1 1 1  -15    0   11 o  133.089   1.4393 17203.03  371.491 16588.99  517.644 17855.14  533.450  130.640   2.0423  135.539   2.0285 -0.000000 0.000000 
1 1 1  -15    0   12 o  111.995   2.6689 11936.78  362.476 11849.73  383.766 12656.71  1103.63  110.414   1.7916  113.576   5.0282 -0.000000 0.000000 
1 1 1  -15    0   13 o  283.581   2.7196 78167.88  1419.44 77791.28  1747.75 78897.61  2432.88  282.745   3.1852  284.418   4.4089 -0.000000 0.000000 
1 1 1  -15    0   14 o   58.286   4.9486  4118.67  158.034  4161.98  160.704  2847.73  870.573   65.434   1.2663   51.138   9.8159 -0.000000 0.000000 
1 1 1  -15    0   15 o  114.322   2.5028 12057.07  367.544 11832.46  391.534 13723.26  1066.40  110.322   1.8294  118.321   4.6594 -0.000000 0.000000 
1 1 1  -15    0   16 o   99.668   2.8194  9012.96  293.914  8884.37  305.457 10618.44  1079.32   95.594   1.6472  103.742   5.3929 -0.000000 0.000000 
1 1 1  -15    0   17 o   12.729   5.3160  136.630   67.645  138.965   67.909 -161.8988  767.706   10.416   3.6909   15.041   9.9708 -0.000000 0.000000 
1 1 1  -15    0   18 o   37.101   6.4016  1830.80  100.774  1839.72  101.680  1336.87  756.681   43.476   1.2069   30.726   12.746 -0.000000 0.000000 
1 1 1  -15    0   19 o   20.457   4.9371  666.649   81.079  676.773   81.573 -162.2795  738.133   26.246   1.6151   14.668   9.7412 -0.000000 0.000000 
1 1 1  -15    0   20 o   21.836   6.2648  464.755   78.783  462.361   79.170  707.753  797.603   21.554   1.9276   22.117   12.380 -0.000000 0.000000 
1 1 1  -15    0   21 o  111.440   3.4307 12181.88  388.896 12169.49  404.547 12332.75  1411.80  111.838   1.8646  111.043   6.6031 -0.000000 0.000000 
1 1 1  -15    0   22 o   28.972   6.8153  1187.00   96.818  1191.03   97.249  735.175  1030.41   34.921   1.4402   23.022   13.554 -0.000000 0.000000 
1 1 1  -15    0   23 o   28.663   6.1523  1424.98  128.222  1444.76  129.219  158.521  1033.86   38.428   1.7404   18.898   12.181 -0.000000 0.000000 
1 1 1  -15    0   24 o   12.723   6.5520   0.0141  107.717  -2.1661  108.245  221.938  1092.11   6.0594   3.9189   19.386   12.504 -0.000000 0.000000 
1 1 1  -15    0   25 o   19.659   6.7943  421.098  119.280  425.614  119.635 -334.6909  1547.65   20.055   3.3555   19.264   13.168 -0.000000 0.000000 
1 1 1  -15    0   26 o   29.552   6.5701  1610.94  143.567  1626.59  143.972 -1159.5601  1915.25   40.722   1.8297   18.381   13.012 -0.000000 0.000000 
1 1 1  -15    0   27 o   37.772   1.9558  1404.89  142.525  1404.89  142.525   0.0000   0.0000   37.772   1.9558   37.772   1.9558 -0.000000 0.000000 
1 1 1  -15    0   28 o   25.879   2.7296  682.595  133.632  682.595  133.632   0.0000   0.0000   25.879   2.7296   25.879   2.7296 -0.000000 0.000000 
1 1 1  -15    0   29 o   32.170   2.2745  1035.27  140.409  1035.27  140.409   0.0000   0.0000   32.170   2.2745   32.170   2.2745 -0.000000 0.000000 
1 1 1  -15    0   30 o   28.011   2.5557  798.015  136.302  798.015  136.302   0.0000   0.0000   28.011   2.5557   28.011   2.5557 -0.000000 0.000000 
1 1 1  -15    0   31 o   7.2084   4.5777   37.169  139.468   37.169  139.468   0.0000   0.0000   7.2084   4.5777   7.2084   4.5777 -0.000000 0.000000 
1 1 1  -15    0   32 o   17.417   5.4958  409.178  163.310  409.178  163.310   0.0000   0.0000   17.417   5.4958   17.417   5.4958 -0.000000 0.000000 
1 1 1  -15    1    1 o   82.576   0.7239  6619.76  116.043  6573.14  163.642  6666.93  164.581   82.284   1.0245   82.869   1.0231 -0.5849609 1.447885 
1 1 1  -15    1    2 o   64.099   0.6258  3988.46   77.842  3983.95  108.865  3993.18  111.349   64.062   0.8754   64.136   0.8944 -0.7391357E-01 1.251513 
1 1 1  -15    1    3 o  139.049   1.0324 18773.54  278.633 18654.41  391.053 18896.37  397.110  138.601   1.4535  139.496   1.4665 -0.8953552 2.064749 
1 1 1  -15    1    4 o  142.035   1.0413 19584.35  287.052 19183.47  401.808 20002.22  410.230  140.551   1.4727  143.519   1.4725 -2.968033 2.082571 
1 1 1  -15    1    5 o   80.512   0.7196  6293.07  112.452  6190.40  158.747  6396.48  159.317   79.852   1.0241   81.171   1.0111 -1.318527 1.439154 
1 1 1  -15    1    6 o  149.249   1.1048 21626.61  320.029 21329.80  447.196 21938.18  458.181  148.201   1.5545  150.298   1.5704 -2.097778 2.209666 
1 1 1  -15    1    7 o  126.676   0.9984 15578.95  245.077 15528.10  336.479 15636.40  357.674  126.457   1.3707  126.894   1.4520 -0.4367447 1.996823 
1 1 1  -15    1    8 o   57.772   0.5972  3237.75   66.951  3330.42   96.216  3150.76   93.222   58.573   0.8462   56.971   0.8429 1.601742 1.194428 
1 1 1  -15    1    9 o  114.898   0.9251 12817.81  206.325 12747.33  289.666 12890.39  293.956  114.577   1.3024  115.218   1.3143 -0.6406937 1.850284 
1 1 1  -15    1   10 o  113.268   0.9125 12458.34  200.640 12473.83  284.408 12442.99  283.093  113.338   1.2927  113.198   1.2883 0.1400146 1.825063 
1 1 1  -15    1   11 o  138.271   1.0463 18564.96  280.779 18211.35  392.970 18933.76  401.326  136.927   1.4784  139.616   1.4808 -2.689255 2.092504 
1 1 1  -15    1   12 o  183.182   1.5703 32632.60  558.385 32406.67  787.437 32861.12  791.935  182.544   2.2222  183.820   2.2194 -1.275925 3.140667 
1 1 1  -15    1   13 o  131.916   1.2941 16913.61  331.373 17025.14  470.656 16803.97  466.635  132.348   1.8320  131.485   1.8282 0.8620758 2.588177 
1 1 1  -15    1   14 o   63.493   0.8714  3911.14  107.345  4063.51  154.927  3770.45  148.873   64.681   1.2339   62.305   1.2309 2.375931 1.742899 
1 1 1  -15    1   15 o   17.963   1.3536  313.555   47.166  329.875   67.500  297.984   65.934   18.419   1.8878   17.506   1.9403 0.9138527 2.707140 
1 1 1  -15    1   16 o   46.745   0.7971  2119.83   72.281  2038.94  100.210  2207.55  104.359   45.817   1.1267   47.673   1.1277 -1.856800 1.594121 
1 1 1  -15    1   17 o   36.022   0.8614  1258.52   60.106  1148.80   83.329  1377.50   86.781   34.387   1.2484   37.656   1.1872 -3.269360 1.722727 
1 1 1  -15    1   18 o   55.760   0.8472  3020.51   91.697  3030.32  130.575  3010.96  128.801   55.849   1.2044   55.671   1.1919 0.1781845 1.694450 
1 1 1  -15    1   19 o   72.444   0.9583  5100.62  134.747  5105.14  192.174  5096.25  188.987   72.475   1.3660   72.413   1.3445 0.6154633E-01 1.916635 
1 1 1  -15    1   20 o   10.294   2.0294   77.213   52.986  206.446   77.753 -34.8399   72.400   14.278   2.9043   6.3114   2.8352 7.966125 4.058711 
1 1 1  -15    1   21 o   23.944   1.3285  560.773   61.111  661.559   87.247  463.697   85.625   26.072   1.7239   21.816   2.0219 4.255558 2.657065 
1 1 1  -15    1   22 o   14.077   2.1520  205.969   57.724  151.545   88.264  246.642   76.304   12.268   3.5217   15.886   2.4743 -3.618384 4.303981 
1 1 1  -15    1   23 o   54.617   0.8742  2917.57   84.491  2942.07  100.816  2859.78  154.866   55.026   0.9438   54.208   1.4717 0.8180923 1.748384 
1 1 1  -15    1   24 o   30.740   1.3816  922.529   82.431  941.430  117.426  904.166  115.743   31.051   1.9482   30.429   1.9595 0.6217823 2.763123 
1 1 1  -15    1   25 o   79.378   1.1424  6149.52  176.028  6119.84  248.013  6179.65  249.879   79.186   1.6135   79.571   1.6177 -0.3847885 2.284817 
1 1 1  -15    1   26 o   47.172   1.1745  2157.02  106.867  2342.73  162.585  2015.75  141.804   48.933   1.7117   45.411   1.6087 3.521896 2.348955 
1 1 1  -15    1   27 o   8.8869   2.6411 -34.8064   87.317 -175.4838  125.771   96.090  121.320   6.7874   3.2630   10.986   4.1538 -4.198955 5.282153 
1 1 1  -15    1   28 o   14.523   2.9756  228.238   88.636  230.895  129.059  225.865  121.943   14.596   4.2784   14.451   4.1367 0.1444693 5.951250 
1 1 1  -15    1   29 o   21.617   2.2681  494.238   91.112  437.916  136.744  539.206  122.187   20.194   3.6213   23.041   2.7319 -2.846306 4.536240 
1 1 1  -15    1   30 o   7.9461   2.5426 -75.0950   88.463 -175.5235  124.594   27.000  125.624   6.5929   3.1888   9.2993   3.9612 -2.706396 5.085176 
1 1 1  -15    1   31 o   9.6532   2.9162   36.468   97.115   56.400  134.806   14.963  140.024   9.9448   4.1627   9.3615   4.0851 0.5832834 5.832345 
1 1 1  -15    1   32 o   17.840   3.0868  386.695  106.107  409.761  150.995  364.194  149.139   18.440   4.2977   17.240   4.4319 1.200010 6.173502 
1 1 1  -15    2    1 o  121.949   0.9463 14439.56  224.016 14563.73  318.192 14317.54  315.440  122.469   1.3384  121.430   1.3382 1.039543 1.892680 
1 1 1  -15    2    2 o  104.273   0.8488 10554.77  171.790 10457.02  240.512 10656.58  245.458  103.780   1.1939  104.765   1.2070 -0.9851456 1.697675 
1 1 1  -15    2    3 o  111.054   0.8857 11975.13  190.923 12023.34  268.892 11926.11  271.135  111.280   1.2448  110.828   1.2603 0.4513626 1.771391 
1 1 1  -15    2    4 o  117.382   0.9418 13372.83  214.537 13741.16  307.009 13021.32  299.917  118.961   1.3295  115.803   1.3342 3.158020 1.883502 
1 1 1  -15    2    5 o   41.671   0.5895  1686.10   47.664  1666.90   68.136  1704.51   66.701   41.438   0.8471   41.903   0.8200 -0.4651718 1.178949 
1 1 1  -15    2    6 o  118.167   0.9270 13558.30  212.629 13709.40  301.237 13408.28  300.171  118.824   1.3060  117.511   1.3159 1.312553 1.853974 
1 1 1  -15    2    7 o  173.951   1.2180 29390.61  411.256 29515.28  579.497 29264.11  583.733  174.323   1.7125  173.578   1.7324 0.7447052 2.435969 
1 1 1  -15    2    8 o  106.565   0.8678 11023.02  179.466 11149.74  257.258 10902.88  250.483  107.161   1.2367  105.968   1.2177 1.192383 1.735575 
1 1 1  -15    2    9 o   66.506   0.6343  4293.63   81.892  4270.88  115.319  4316.77  116.311   66.328   0.8957   66.683   0.8985 -0.3553772 1.268692 
1 1 1  -15    2   10 o  133.908   1.0339 17414.19  268.753 17643.79  381.351 17187.64  378.809  134.786   1.4575  133.031   1.4669 1.754272 2.067895 
1 1 1  -15    2   11 o  110.264   0.8921 11805.27  190.921 11582.98  268.301 12033.30  271.739  109.212   1.2656  111.315   1.2576 -2.103088 1.784138 
1 1 1  -15    2   12 o  171.315   1.4753 28532.89  490.549 28378.36  686.746 28693.87  700.953  170.844   2.0708  171.787   2.1020 -0.9425659 2.950680 
1 1 1  -15    2   13 o  177.342   1.5250 30575.32  524.820 30999.13  753.652 30176.30  731.268  178.532   2.1746  176.153   2.1386 2.379501 3.050008 
1 1 1  -15    2   14 o  244.480   1.7503 58180.10  830.586 58337.17  1181.72 58026.73  1167.66  244.802   2.4868  244.157   2.4637 0.6455841 3.500519 
1 1 1  -15    2   15 o   99.889   1.1194  9693.95  216.990  9789.02  311.150  9603.94  302.762  100.364   1.5971   99.413   1.5689 0.9510956 2.238763 
1 1 1  -15    2   16 o   17.851   1.3299  310.164   46.031  292.879   65.081  327.469   65.116   17.352   1.9321   18.350   1.8280 -0.9981709 2.659868 
1 1 1  -15    2   17 o   16.771   1.6926  280.371   51.450  389.666   75.367  184.979   70.410   20.013   1.9400   13.528   2.7743 6.485159 3.385274 
1 1 1  -15    2   18 o   70.664   0.9451  4851.55  129.583  4877.65  186.175  4827.02  180.474   70.847   1.3537   70.481   1.3191 0.3664169 1.890146 
1 1 1  -15    2   19 o   61.358   0.9013  3659.13  107.324  3554.04  151.705  3764.43  151.853   60.475   1.2923   62.241   1.2568 -1.766335 1.802689 
1 1 1  -15    2   20 o   49.338   0.8653  2360.02   82.745  2466.01  121.193  2267.46  113.248   50.372   1.2394   48.303   1.2078 2.068775 1.730594 
1 1 1  -15    2   21 o   37.807   0.9654  1390.55   70.759  1372.62  102.374  1406.96   97.913   37.572   1.4037   38.042   1.3259 -0.4708595 1.930876 
1 1 1  -15    2   22 o   56.417   0.9230  3097.93  100.955  3031.31  145.605  3159.61  140.097   55.829   1.3435   57.004   1.2661 -1.175606 1.846083 
1 1 1  -15    2   23 o   29.642   1.2073  831.533   67.233  765.844   83.687  951.104  112.908   28.049   1.5370   31.236   1.8621 -3.187395 2.414530 
1 1 1  -15    2   24 o   36.495   1.2398  1299.45   87.725  1220.80  123.465  1379.65  124.669   35.374   1.7980   37.615   1.7074 -2.240490 2.479520 
1 1 1  -15    2   25 o   46.875   1.1812  2138.57  107.304  2301.24  156.723  1995.01  147.225   48.549   1.6630   45.201   1.6779 3.347942 2.362381 
1 1 1  -15    2   26 o   19.977   2.2851  405.581   86.073  384.789  126.761  423.369  117.246   19.313   3.5106   20.642   2.9260 -1.329540 4.570111 
1 1 1  -15    2   27 o   14.023   2.7525  206.013   83.040  104.363  120.143  298.994  114.905   11.164   4.1514   16.881   3.6155 -5.716911 5.505031 
1 1 1  -15    2   28 f   49.079   1.1534  2368.50  109.859  2305.67  155.209  2431.59  155.520   48.419   1.6513   49.740   1.6107 -1.320457 2.306799 
1 1 1  -15    2   29 o   18.438   2.5154  370.786   86.917  277.018  126.685  454.178  119.470   15.797   4.0968   21.079   2.9197 -5.282339 5.030744 
1 1 1  -15    2   30 o   8.5451   2.7074 -44.6669   93.237   27.090  141.183 -100.1665  124.164   9.7292   4.1731   7.3611   3.4504 2.368013 5.414823 
1 1 1  -15    2   31 o   25.416   2.1224  680.082  104.338  714.525  144.517  642.581  150.797   26.189   2.8428   24.642   3.1524 1.546165 4.244880 
1 1 1  -15    2   32 o   21.654   2.5660  528.386  104.991  482.762  149.316  573.000  147.656   20.401   3.9128   22.907   3.3206 -2.506250 5.131950 
1 1 1  -15    3    1 o  131.414   0.9979 16768.18  254.552 16643.03  357.623 16896.69  362.407  130.917   1.4072  131.911   1.4153 -0.9935150 1.995840 
1 1 1  -15    3    2 o  151.107   1.1011 22174.44  322.967 22248.69  457.371 22100.59  456.122  151.360   1.5567  150.855   1.5576 0.5046844 2.202111 
1 1 1  -15    3    3 o  141.365   1.0583 19405.35  290.410 19279.40  408.693 19533.81  412.742  140.901   1.4942  141.828   1.4992 -0.9263916 2.116659 
1 1 1  -15    3    4 o   54.054   0.5885  2836.11   61.748  2865.62   87.810  2807.23   86.848   54.332   0.8326   53.776   0.8320 0.5564270 1.177016 
1 1 1  -15    3    5 o   82.838   0.7279  6659.59  117.015  6571.10  163.105  6753.43  167.970   82.271   1.0213   83.404   1.0375 -1.133217 1.455821 
1 1 1  -15    3    6 o  135.298   1.0091 17774.56  265.029 17938.71  376.548 17613.42  373.091  135.916   1.4272  134.678   1.4271 1.237961 2.018285 
1 1 1  -15    3    7 o  171.852   1.1965 28685.31  399.124 28873.07  563.009 28495.62  565.896  172.418   1.6822  171.286   1.7020 1.132050 2.392971 
1 1 1  -15    3    8 o  134.504   1.0352 17566.68  270.269 17709.64  384.747 17427.42  379.740  135.044   1.4677  133.964   1.4603 1.080032 2.070383 
1 1 1  -15    3    9 o   22.010   0.8294  471.940   35.298  514.675   49.593  428.063   50.251   23.024   1.1096   20.997   1.2329 2.027277 1.658702 
1 1 1  -15    3   10 o  129.480   0.9852 16279.86  247.604 16448.28  352.121 16115.14  348.241  130.142   1.3938  128.817   1.3926 1.324615 1.970335 
1 1 1  -15    3   11 o  115.808   0.9390 13024.85  211.087 13109.08  299.213 12941.39  297.835  116.180   1.3267  115.435   1.3291 0.7456436 1.877991 
1 1 1  -15    3   12 o   28.782   0.9382  808.422   52.135  758.484   76.315  852.123   71.391   27.943   1.4069   29.621   1.2416 -1.677355 1.876421 
1 1 1  -15    3   13 o  106.442   1.1896 11007.36  245.766 11213.01  350.723 10808.95  344.493  107.419   1.6820  105.465   1.6827 1.953232 2.379183 
1 1 1  -15    3   14 o  124.292   1.2645 15014.37  305.069 15282.61  434.679 14754.00  428.259  125.386   1.7859  123.198   1.7908 2.188087 2.529077 
1 1 1  -15    3   15 o   71.367   0.9151  4947.70  126.758  4940.27  180.814  4954.89  177.750   71.314   1.3061   71.420   1.2821 -0.1065750 1.830246 
1 1 1  -15    3   16 o   22.310   1.1617  484.826   50.212  458.698   71.896  509.705   70.158   21.721   1.7052   22.899   1.5783 -1.178667 2.323499 
1 1 1  -15    3   17 o   21.662   1.2410  455.364   52.122  476.168   75.951  436.845   71.658   22.128   1.7682   21.195   1.7417 0.9327641 2.481911 
1 1 1  -15    3   18 o  115.624   1.2601 12996.95  282.743 13283.25  405.750 12726.69  394.218  116.860   1.7887  114.388   1.7754 2.472588 2.520171 
1 1 1  -15    3   19 o   9.8572   2.1856   88.342   51.599   17.597   77.100  145.732   69.442   7.7340   3.1846   11.980   2.9943 -4.246428 4.371175 
1 1 1  -15    3   20 o  123.527   1.3581 14858.79  325.618 15112.61  461.167 14606.46  459.821  124.582   1.9069  122.473   1.9341 2.109650 2.716113 
1 1 1  -15    3   21 o   43.659   0.9116  1852.69   77.085  1856.96  112.898  1848.95  105.507   43.704   1.3308   43.614   1.2462 0.8985519E-01 1.823162 
1 1 1  -15    3   22 o   54.112   0.8193  2852.79   81.041  2826.89  140.343  2865.75   99.264   53.914   1.3410   54.311   0.9415 -0.3968811 1.638517 
1 1 1  -15    3   23 o   16.875   2.0138  286.076   61.893  292.473   78.201  275.350  101.260   17.300   2.3286   16.450   3.2861 0.8503704 4.027557 
1 1 1  -15    3   24 o   15.136   2.5467  236.610   82.234   84.191  119.821  372.326  113.065   10.826   4.1196   19.446   2.9953 -8.619647 5.093426 
1 1 1  -15    3   25 o   30.306   1.5285  900.354   89.909  880.710  126.669  920.299  127.637   29.970   2.1773   30.641   2.1459 -0.6706371 3.057020 
1 1 1  -15    3   26 o   50.375   1.1662  2484.32  113.757  2441.25  166.025  2522.44  156.178   49.948   1.7123   50.802   1.5837 -0.8536148 2.332445 
1 1 1  -15    3   27 o   12.019   2.7872  132.970   82.050   36.402  118.623  221.552  113.612   9.5612   3.9451   14.477   3.9382 -4.915919 5.574319 
1 1 1  -15    3   28 o   22.245   1.9363  498.232   83.491  491.655  120.864  504.235  115.470   22.080   2.8198   22.409   2.6545 -0.3286114 3.872699 
1 1 1  -15    3   29 o   15.125   2.8666  247.841   87.694  333.929  130.157  176.273  118.674   17.431   3.9394   12.819   4.1653 4.611394 5.733132 
1 1 1  -15    3   30 o   9.7905   2.8567   51.168   88.517   83.318  127.960   21.667  122.577   10.473   4.1781   9.1079   3.8970 1.365205 5.713460 
1 1 1  -15    3   31 o   10.457   3.0844   69.657  104.158   62.017  150.669   76.650  144.151   10.394   4.3784   10.520   4.3455 -0.1265059 6.168787 
1 1 1  -15    3   32 o   14.587   3.2246  265.205  102.004  237.011  147.355  291.146  141.344   13.834   4.6470   15.340   4.4720 -1.506359 6.449291 
1 1 1  -15    4    1 o  235.489   1.4155 53873.01  647.013 53609.80  910.105 54141.97  920.005  234.908   1.9958  236.070   2.0076 -1.161728 2.830902 
1 1 1  -15    4    2 o   74.020   0.6783  5318.77   97.455  5342.53  138.484  5295.46  137.170   74.184   0.9617   73.856   0.9568 0.3274231 1.356547 
1 1 1  -15    4    3 o   78.179   0.7035  5930.07  106.735  5792.88  148.651  6076.08  153.351   77.247   0.9913   79.112   0.9986 -1.865471 1.407091 
1 1 1  -15    4    4 o   61.674   0.6165  3688.57   73.765  3586.12  102.128  3800.30  106.658   60.779   0.8656   62.568   0.8782 -1.788513 1.233068 
1 1 1  -15    4    5 o   83.597   0.7291  6783.45  118.298  6712.97  165.675  6856.77  168.972   83.154   1.0264   84.040   1.0358 -0.8857117 1.458173 
1 1 1  -15    4    6 o   34.395   0.6208  1149.30   41.413  1100.52   58.785  1197.37   58.350   33.670   0.8994   35.120   0.8559 -1.450626 1.241576 
1 1 1  -15    4    7 o  201.286   1.3083 39355.80  511.208 39429.25  724.059 39282.80  721.860  201.473   1.8514  201.098   1.8492 0.3742828 2.616682 
1 1 1  -15    4    8 o  112.739   0.9133 12341.26  199.877 12281.24  282.555 12401.38  282.783  112.465   1.2943  113.014   1.2890 -0.5489197 1.826655 
1 1 1  -15    4    9 o  135.688   1.0318 17880.71  271.766 17760.44  385.554 17999.47  383.128  135.234   1.4687  136.142   1.4497 -0.9079742 2.063683 
1 1 1  -15    4   10 o   66.628   0.6363  4309.61   82.292  4234.45  115.987  4385.79  116.774   66.043   0.9047   67.213   0.8950 -1.170029 1.272622 
1 1 1  -15    4   11 o  195.358   1.4691 37026.94  546.008 37464.80  865.054 36736.99  703.950  196.287   2.2703  194.429   1.8652 1.857269 2.938226 
1 1 1  -15    4   12 o  158.422   1.4233 24397.45  437.638 24526.61  625.287 24273.42  612.729  158.831   2.0281  158.013   1.9976 0.8179932 2.846657 
1 1 1  -15    4   13 o   81.970   1.0049  6524.61  159.750  6583.36  231.441  6471.15  220.777   82.321   1.4483   81.619   1.3935 0.7018433 2.009829 
1 1 1  -15    4   14 o  144.531   1.3881 20311.51  389.440 20413.29  553.734 20211.89  547.816  144.888   1.9688  144.173   1.9574 0.7149506 2.776277 
1 1 1  -15    4   15 o   50.898   0.7967  2515.06   78.642  2537.04  113.857  2495.00  108.751   51.110   1.1476   50.686   1.1053 0.4241028 1.593331 
1 1 1  -15    4   16 o   50.742   0.8106  2495.03   79.617  2576.15  117.880  2426.98  107.964   51.498   1.1792   49.987   1.1126 1.510956 1.621264 
1 1 1  -15    4   17 o   64.741   0.8848  4072.40  111.193  4039.85  157.801  4104.50  156.706   64.484   1.2606   64.999   1.2420 -0.5148239 1.769679 
1 1 1  -15    4   18 o  131.757   1.3785 16893.36  352.554 16758.77  499.580 17026.87  497.599  131.232   1.9611  132.281   1.9378 -1.049591 2.757011 
1 1 1  -15    4   19 o   27.097   1.1129  709.521   58.171  752.051   88.272  676.874   77.340   27.808   1.6353   26.385   1.5100 1.422565 2.225794 
1 1 1  -15    4   20 o   41.802   0.9091  1684.63   73.025  1792.80  112.919  1606.86   95.740   42.943   1.3546   40.662   1.2129 2.281273 1.818285 
1 1 1  -15    4   21 o   24.461   1.3244  593.618   61.460  520.273   93.931  648.526   81.272   23.105   2.0943   25.817   1.6217 -2.712418 2.648806 
1 1 1  -15    4   22 o   66.012   0.8529  4260.93  103.185  4160.67  177.109  4312.45  126.958   65.402   1.3950   66.621   0.9817 -1.218643 1.705826 
1 1 1  -15    4   23 o   50.333   0.9716  2458.60   94.369  2410.00  126.205  2520.23  142.124   49.776   1.3061   50.890   1.4387 -1.113941 1.943155 
1 1 1  -15    4   24 o   28.378   1.4651  787.129   80.680  813.007  114.490  761.602  113.712   28.843   2.0448   27.912   2.0987 0.9318295 2.930185 
1 1 1  -15    4   25 o   11.604   2.9193  119.045   82.773  111.558  117.220  126.491  116.898   11.406   4.1236   11.802   4.1333 -0.3959866 5.838507 
1 1 1  -15    4   26 o   50.489   1.1624  2490.40  113.712  2534.05  166.543  2452.28  155.637   50.893   1.6858   50.085   1.6008 0.8082466 2.324766 
1 1 1  -15    4   27 o   29.487   1.6016  872.565   90.097  759.354  134.553  964.584  121.308   27.668   2.5053   31.307   1.9961 -3.638981 3.203273 
1 1 1  -15    4   28 o   52.340   1.1104  2686.32  112.619  2773.35  165.162  2610.70  153.962   53.118   1.6018   51.562   1.5382 1.555996 2.220764 
1 1 1  -15    4   29 o   44.852   1.2207  1988.06  106.249  2060.05  151.759  1918.84  148.801   45.655   1.7124   44.049   1.7402 1.605488 2.441450 
1 1 1  -15    4   30 o   23.291   2.0605  557.489   92.835  626.089  136.053  497.722  126.992   24.660   2.8422   21.923   2.9841 2.737038 4.121044 
1 1 1  -15    4   31 o   12.358   3.1256  151.032  101.385   52.508  140.326  258.625  146.643   9.9928   4.2183   14.724   4.6135 -4.731146 6.251249 
1 1 1  -15    4   32 f   9.0331   2.8504  -5.0217  103.004 -56.2704  152.301   38.181  139.835   8.5326   3.9385   9.5336   4.1216 -1.001042 5.700802 
1 1 1  -15    5    1 o  138.496   1.0308 18625.76  277.098 18559.84  389.462 18693.35  394.336  138.248   1.4512  138.744   1.4642 -0.4957275 2.061517 
1 1 1  -15    5    2 o  126.066   0.9787 15432.51  239.471 15717.22  339.330 15150.02  337.999  127.225   1.3740  124.908   1.3940 2.317528 1.957318 
1 1 1  -15    5    3 f   42.907   0.8409  1789.71   69.946  1698.73   99.545  1878.43   98.304   41.828   1.2260   43.986   1.1513 -2.157776 1.681841 
1 1 1  -15    5    4 o  215.639   1.3612 45165.20  569.726 44577.55  799.495 45771.50  812.082  214.214   1.9227  217.064   1.9273 -2.849289 2.722327 
1 1 1  -15    5    5 o   89.309   0.7740  7739.92  134.143  7582.92  187.018  7906.29  192.514   88.377   1.0901   90.241   1.0990 -1.864525 1.547951 
1 1 1  -15    5    6 o   15.197   1.2179  225.582   35.375  177.440   49.294  276.700   50.795   13.515   1.8789   16.880   1.5502 -3.364315 2.435864 
1 1 1  -15    5    7 o   81.181   0.8688  6393.86  131.123  6381.79  163.331  6415.75  219.915   81.077   1.0378   81.284   1.3937 -0.2071686 1.737673 
1 1 1  -15    5    8 o   67.065   0.6417  4364.06   83.506  4293.18  116.102  4440.02  120.196   66.501   0.8994   67.629   0.9156 -1.127457 1.283418 
1 1 1  -15    5    9 o   84.598   0.7395  6948.21  121.431  6956.75  172.880  6939.90  170.600   84.649   1.0521   84.547   1.0395 0.1022720 1.479005 
1 1 1  -15    5   10 o   24.812   0.7314  597.387   35.215  612.435   50.593  583.245   49.045   25.115   1.0377   24.510   1.0309 0.6057739 1.462726 
1 1 1  -15    5   11 o   98.947   0.9612  9508.09  176.739  9512.03  296.478  9505.92  220.128   98.953   1.5435   98.941   1.1461 0.1229858E-01 1.922483 
1 1 1  -15    5   12 o   27.694   0.9260  750.159   49.048  712.148   75.073  778.467   64.787   27.076   1.4283   28.312   1.1788 -1.236479 1.851972 
1 1 1  -15    5   13 o   20.864   1.1438  421.958   45.896  430.502   70.141  415.561   60.692   21.047   1.7168   20.682   1.5118 0.3654633 2.287523 
1 1 1  -15    5   14 o   33.912   0.8246  1113.35   53.882  1145.44   81.791  1088.74   71.619   34.341   1.2270   33.482   1.1019 0.8584328 1.649134 
1 1 1  -15    5   15 o   85.811   1.0094  7153.96  168.127  7128.39  235.713  7180.44  239.876   85.656   1.4176   85.967   1.4374 -0.3108673 2.018883 
1 1 1  -15    5   16 f   51.366   0.8028  2562.35   79.888  2569.99  116.854  2555.65  109.464   51.436   1.1703   51.295   1.0993 0.1411819 1.605684 
1 1 1  -15    5   17 o   21.550   1.2050  445.346   49.698  487.534   78.380  416.982   64.268   22.389   1.8034   20.711   1.5986 1.678785 2.409947 
1 1 1  -15    5   18 o   69.718   0.9394  4724.80  126.943  4694.79  184.417  4751.83  175.003   69.505   1.3669   69.931   1.2892 -0.4259338 1.878898 
1 1 1  -15    5   19 o  145.611   1.4425 20644.95  407.711 20423.92  577.087 20865.23  576.095  144.830   2.0527  146.393   2.0273 -1.562057 2.884995 
1 1 1  -15    5   20 o   87.956   1.0941  7515.86  186.567  7701.31  271.922  7350.92  256.449   88.977   1.5743   86.936   1.5196 2.041061 2.188113 
1 1 1  -15    5   21 o  109.878   1.1002 11812.63  222.902 11527.51  377.763 11964.92  276.088  108.814   1.7884  110.942   1.2820 -2.127800 2.200448 
1 1 1  -15    5   22 o   29.597   1.0368  835.376   55.190  896.864  100.475  808.807   66.046   30.349   1.7055   28.845   1.1795 1.504045 2.073647 
1 1 1  -15    5   23 o   10.182   2.6903   78.440   71.454   91.665   94.123   60.451  109.775   10.380   3.7018   9.9851   3.9049 0.3945694 5.380641 
1 1 1  -15    5   24 o   16.623   5.7839   18.680  101.132  -1.6688  1077.77   18.861  101.580   24.528   10.984   8.7173   3.6281 15.81060 11.56783 
1 1 1  -15    5   25 o   71.150   1.1270  4939.65  155.592  4744.74  218.303  5140.89  221.820   69.719   1.6130   72.581   1.5744 -2.861984 2.254011 
1 1 1  -15    5   26 o   15.226   2.9258  243.255   88.165  247.094  134.302  240.348  116.875   15.325   4.3256   15.127   3.9408 0.1982670 5.851559 
1 1 1  -15    5   27 o   9.6435   2.7920   34.038   86.482 -44.9573  135.402   88.468  112.394   8.7134   3.8983   10.574   3.9980 -1.860108 5.583939 
1 1 1  -15    5   28 o   17.865   2.5035  321.398   84.457  453.128  132.926  232.218  109.371   21.057   3.2520   14.674   3.8070 6.382798 5.006905 
1 1 1  -15    5   29 o   19.597   2.4676  404.649   91.298  476.231  133.375  341.536  125.238   21.476   3.1993   17.718   3.7578 3.758209 4.935174 
1 1 1  -15    5   30 o   10.923   3.0217  100.893   92.761  108.902  136.627   94.044  126.343   11.184   4.3612   10.662   4.1836 0.5228777 6.043403 
1 1 1  -15    5   31 o   11.789   3.1989  139.005  102.598  135.472  141.309  142.944  149.205   11.660   4.4649   11.918   4.5822 -0.2581434 6.397863 
1 1 1  -15    5   32 o   17.741   2.8594  370.544  102.120  536.491  148.802  222.805  140.402   22.011   3.4826   13.472   4.5360 8.539250 5.718753 
1 1 1  -15    6    1 o  202.234   1.3232 39727.42  519.352 39649.88  727.714 39807.90  741.427  202.034   1.8555  202.433   1.8868 -0.3993683 2.646314 
1 1 1  -15    6    2 o  136.531   1.0195 18101.12  270.197 18313.80  382.954 17890.28  381.282  137.330   1.4365  135.732   1.4471 1.597733 2.039056 
1 1 1  -15    6    3 o  132.951   1.0248 17162.61  264.463 17517.20  376.144 16815.96  371.906  134.309   1.4427  131.593   1.4559 2.716324 2.049664 
1 1 1  -15    6    4 o   37.442   0.7954  1394.99   53.312  1453.61   64.754  1271.66   93.923   38.696   0.8620   36.189   1.3370 2.507248 1.590818 
1 1 1  -15    6    5 o  166.639   1.1580 26967.22  374.557 27173.87  532.730 26765.20  526.729  167.270   1.6407  166.008   1.6345 1.262146 2.315928 
1 1 1  -15    6    6 o  120.770   0.9463 14161.92  221.849 14064.01  312.615 14261.26  314.881  120.350   1.3381  121.191   1.3385 -0.8409729 1.892653 
1 1 1  -15    6    7 o   75.479   0.6764  5529.51   99.088  5473.76  138.524  5587.92  141.797   75.089   0.9503   75.868   0.9628 -0.7788315 1.352835 
1 1 1  -15    6    8 o   68.381   0.6434  4533.76   85.349  4728.00  123.208  4354.55  118.344   69.787   0.9095   66.975   0.9103 2.812836 1.286762 
1 1 1  -15    6    9 o  127.578   0.9856 15806.39  244.068 15733.33  346.176 15878.61  344.161  127.284   1.4011  127.871   1.3865 -0.5869980 1.971135 
1 1 1  -15    6   10 o   97.215   0.8210  9177.00  154.925  9154.21  220.157  9199.36  218.053   97.095   1.1681   97.335   1.1541 -0.2396698 1.642029 
1 1 1  -15    6   11 o  136.699   1.1948 18047.14  305.698 18565.99  507.774 17752.18  382.854  138.212   1.8926  135.186   1.4589 3.025848 2.389650 
1 1 1  -15    6   12 o  101.624   1.1063 10034.56  218.081 10016.81  314.155 10051.08  302.974  101.535   1.5939  101.713   1.5345 -0.1775131 2.212514 
1 1 1  -15    6   13 o   75.230   0.9381  5498.29  136.940  5316.41  193.369  5681.27  193.958   73.981   1.3465   76.479   1.3065 -2.498329 1.876143 
1 1 1  -15    6   14 o   46.220   0.7767  2071.41   69.187  2101.36  104.625  2048.14   92.233   46.515   1.1587   45.925   1.0346 0.5897255 1.553403 
1 1 1  -15    6   15 o   20.464   1.1887  413.943   46.381  357.820   69.336  459.393   62.396   19.183   1.8619   21.744   1.4783 -2.560078 2.377443 
1 1 1  -15    6   16 o   38.061   0.8322  1411.08   61.086  1370.72   91.024  1444.16   82.396   37.562   1.2484   38.559   1.1008 -0.9970970 1.664390 
1 1 1  -15    6   17 o   65.466   0.8982  4156.24  113.793  4258.83  168.467  4070.15  154.316   66.205   1.3109   64.726   1.2282 1.478943 1.796334 
1 1 1  -15    6   18 o   12.381   2.0633  159.688   50.533  100.935   77.925  202.324   66.382   10.351   3.3759   14.410   2.3731 -4.058660 4.126539 
1 1 1  -15    6   19 f   62.999   0.9210  3860.86  112.521  3718.12  160.528  3998.72  157.765   61.851   1.3370   64.147   1.2670 -2.295929 1.841973 
1 1 1  -15    6   20 o   65.993   0.9493  4235.21  121.233  4217.86  178.389  4250.10  165.261   65.863   1.3953   66.123   1.2875 -0.2600174 1.898560 
1 1 1  -15    6   21 o   9.2686   2.2920   75.560   48.703   58.481   88.830   82.901   58.236   9.2791   3.5432   9.2581   2.9084 0.2097225E-01 4.583994 
1 1 1  -15    6   22 o   79.426   0.9234  6072.89  133.724  6313.46  235.516  5958.43  162.450   80.550   1.5062   78.302   1.0688 2.248550 1.846872 
1 1 1  -15    6   23 o   23.926   1.6297  555.799   75.425  515.708  101.635  604.945  112.529   22.974   2.2790   24.878   2.3301 -1.904648 3.259342 
1 1 1  -15    6   24 o   46.927   1.4946  2145.59  136.152   0.0000   0.0000  2145.59  136.152  ?   ?    46.927   1.4946      ?      ? 
1 1 1  -15    6   25 o   35.218   1.3278  1219.65   89.947  1160.35  134.737  1267.31  120.808   34.421   2.0165   36.015   1.7280 -1.594410 2.655614 
1 1 1  -15    6   26 o   15.742   2.8562  259.655   88.477  314.003  127.896  209.773  122.527   17.290   3.9031   14.194   4.1710 3.096054 5.712409 
1 1 1  -15    6   27 o   26.000   1.8916  697.659   91.789  525.638  137.163  837.170  123.524   22.881   3.0882   29.119   2.1853 -6.238075 3.783141 
1 1 1  -15    6   28 o   41.477   1.2401  1696.96   99.698  1671.50  144.325  1720.20  137.884   41.160   1.8064   41.794   1.6996 -0.6343307 2.480208 
1 1 1  -15    6   29 o   32.786   1.4765  1072.67   93.865  1025.01  133.481  1119.29  132.022   32.041   2.1461   33.532   2.0283 -1.491123 2.952901 
1 1 1  -15    6   30 o   18.390   2.7961  381.589   96.196  350.826  145.971  405.205  127.897   17.486   4.3245   19.294   3.5456 -1.807467 5.592213 
1 1 1  -15    6   31 o   15.948   3.0943  295.926  102.378  196.437  139.720  411.270  150.442   13.092   4.5225   18.805   4.2245 -5.712386 6.188674 
1 1 1  -15    6   32 o   11.410   3.0033  106.445  101.850  259.830  145.143 -42.3563  142.958   14.391   4.5997   8.4286   3.8630 5.962036 6.006633 
1 1 1  -15    7    1 o   59.933   0.6224  3484.23   72.347  3425.45   99.912  3549.02  104.899   59.402   0.8665   60.464   0.8937 -1.061573 1.244802 
1 1 1  -15    7    2 o  230.650   1.5383 51685.31  679.912 51642.59  892.728 51744.30  1049.19  230.558   1.9947  230.743   2.3424 -0.1852570 3.076628 
1 1 1  -15    7    3 o  160.412   1.1462 24989.57  356.885 25460.67  506.607 24525.47  502.838  161.913   1.6118  158.911   1.6301 3.002563 2.292428 
1 1 1  -15    7    4 o  189.111   1.2577 34733.56  461.667 35144.75  656.886 34332.22  648.976  190.216   1.7790  188.005   1.7783 2.211639 2.515363 
1 1 1  -15    7    5 o   85.035   0.7439  7018.72  122.783  6909.43  172.261  7131.60  175.056   84.362   1.0519   85.707   1.0522 -1.345551 1.487816 
1 1 1  -15    7    6 o  105.040   0.8670 10702.09  176.674 10418.10  244.696 11011.36  255.355  103.586   1.2169  106.494   1.2352 -2.907959 1.733989 
1 1 1  -15    7    7 o  194.568   1.2909 36770.00  487.550 36525.98  685.304 37020.07  693.774  193.915   1.8206  195.221   1.8307 -1.306274 2.581869 
1 1 1  -15    7    8 o   30.164   0.9007  918.419   46.900  964.711   55.707  805.736   86.914   31.524   0.9104   28.804   1.5545 2.720053 1.801407 
1 1 1  -15    7    9 f  126.466   0.9918 15532.62  243.469 15478.48  345.893 15585.77  342.762  126.247   1.4114  126.685   1.3938 -0.4376831 1.983627 
1 1 1  -15    7   10 o   52.933   0.5838  2720.10   59.981  2724.77   85.207  2715.52   84.451   52.978   0.8285   52.888   0.8226 0.8992767E-01 1.167526 
1 1 1  -15    7   11 o   55.883   0.7347  3036.19   74.424  3021.70  131.171  3043.07   90.380   55.781   1.2114   55.986   0.8316 -0.2053680 1.469385 
1 1 1  -15    7   12 o   63.217   0.8512  3886.53  104.301  3752.81  149.957  4011.84  145.167   62.161   1.2427   64.273   1.1635 -2.112099 1.702407 
1 1 1  -15    7   13 o   13.233   1.8000  175.031   44.567  166.140   68.966  181.405   58.398   12.810   2.8473   13.656   2.2029 -0.8461676 3.599959 
1 1 1  -15    7   14 f   82.329   0.9868  6584.36  157.684  6630.81  224.899  6539.44  221.147   82.614   1.4024   82.044   1.3886 0.5703735 1.973526 
1 1 1  -15    7   15 o   31.600   0.8704  968.500   52.678  979.013   81.632  960.998   68.957   31.745   1.3247   31.456   1.1293 0.2894363 1.740759 
1 1 1  -15    7   16 o   51.059   0.8161  2534.34   80.689  2502.35  117.863  2562.56  110.696   50.754   1.1963   51.364   1.1102 -0.6100807 1.632103 
1 1 1  -15    7   17 o  111.260   1.2003 12034.77  259.199 12149.09  370.174 11924.80  363.055  111.777   1.7060  110.743   1.6889 1.034531 2.400581 
1 1 1  -15    7   18 o   97.121   1.1339  9173.26  213.723  9042.46  303.783  9301.46  300.741   96.433   1.6228   97.809   1.5840 -1.375534 2.267714 
1 1 1  -15    7   19 o  118.862   1.3169 13747.30  303.798 13857.08  434.287 13642.10  425.130  119.324   1.8749  118.399   1.8497 0.9249725 2.633786 
1 1 1  -15    7   20 o   93.296   1.0023  8524.99  172.294  8267.14  291.957  8662.77  213.419   92.177   1.6317   94.414   1.1645 -2.237022 2.004579 
1 1 1  -15    7   21 o  110.045   1.1242 11740.35  226.224 11912.86  393.773 11655.36  276.388  110.599   1.8341  109.490   1.3004 1.109406 2.248349 
1 1 1  -15    7   22 o  106.627   1.1106 11125.19  217.746 10876.99  371.331 11255.25  268.813  105.668   1.8103  107.587   1.2871 -1.918861 2.221256 
1 1 1  -15    7   23 o   46.675   1.0298  2111.19   93.103  1968.91  126.842  2277.39  137.089   44.978   1.4528   48.372   1.4600 -3.394611 2.059629 
1 1 1  -15    7   24 o   27.221   2.1150  724.836  111.758   0.0000   0.0000  724.836  111.758  ?   ?    27.221   2.1150      ?      ? 
1 1 1  -15    7   25 o   24.829   1.7972  608.794   86.192  679.067  122.117  539.032  121.672   26.281   2.3937   23.377   2.6813 2.904160 3.594332 
1 1 1  -15    7   26 o   49.315   1.1545  2379.49  110.486  2323.68  156.489  2434.96  156.014   48.733   1.6542   49.896   1.6108 -1.163586 2.308900 
1 1 1  -15    7   27 o   60.125   1.1491  3551.96  133.693  3258.54  190.174  3838.66  187.987   57.636   1.6998   62.613   1.5467 -4.977245 2.298133 
1 1 1  -15    7   28 o   21.374   2.1711  464.235   89.961  479.009  131.352  451.183  123.462   21.677   3.1215   21.071   3.0184 0.6062584 4.342220 
1 1 1  -15    7   29 o   29.274   1.6146  859.688   91.636  836.647  131.763  881.272  127.527   28.866   2.3515   29.682   2.2133 -0.8163624 3.229270 
1 1 1  -15    7   30 o   10.404   2.8093   56.169   91.813 -93.6211  133.861  189.234  126.167   7.7600   3.6195   13.048   4.2975 -5.288421 5.618649 
1 1 1  -15    7   31 o   10.610   3.0270   73.790  102.351  161.798  140.158 -26.7659  149.817   12.231   4.4957   8.9894   4.0546 3.241281 6.053956 
1 1 1  -15    7   32 o   25.347   2.2145  697.305  108.488  628.044  153.022  767.301  153.831   23.940   3.2928   26.754   2.9620 -2.814772 4.429017 
1 1 1  -15    8    1 o  186.784   1.2070 33899.11  435.494 34022.90  588.059 33748.76  648.068  187.169   1.6185  186.400   1.7911 0.7686005 2.414034 
1 1 1  -15    8    2 o  135.597   1.0313 17855.57  271.429 17898.55  381.040 17811.29  386.740  135.764   1.4458  135.431   1.4711 0.3325806 2.062654 
1 1 1  -15    8    3 o  209.216   1.3432 42520.27  545.497 42389.59  769.650 42652.19  773.261  208.894   1.8980  209.539   1.9011 -0.6457672 2.686361 
1 1 1  -15    8    4 o  112.703   0.8971 12328.79  196.239 12575.55  280.792 12093.20  274.367  113.805   1.2710  111.602   1.2665 2.203758 1.794292 
1 1 1  -15    8    5 o   67.028   0.6426  4359.91   83.589  4467.52  119.494  4256.79  116.973   67.838   0.9074   66.219   0.9100 1.619316 1.285107 
1 1 1  -15    8    6 f   85.800   0.7384  7145.20  122.971  7297.10  175.454  6998.53  172.402   86.697   1.0425   84.904   1.0460 1.792290 1.476855 
1 1 1  -15    8    7 o   65.668   0.6327  4185.71   80.640  4263.54  114.733  4109.71  113.363   66.271   0.8919   65.065   0.8976 1.206596 1.265317 
1 1 1  -15    8    8 f  179.061   1.2479 31127.14  433.628 30370.71  604.310 31930.01  622.582  176.820   1.7606  181.302   1.7690 -4.481628 2.495821 
1 1 1  -15    8    9 o   70.865   0.6629  4874.49   91.171  4827.81  127.489  4923.35  130.433   70.518   0.9313   71.212   0.9436 -0.6941071 1.325775 
1 1 1  -15    8   10 o   45.853   0.5736  2041.19   51.047  2037.46   72.711  2044.81   71.684   45.812   0.8176   45.894   0.8046 -0.8279800E-01 1.147150 
1 1 1  -15    8   11 o  146.403   1.2343 20803.95  340.603 20932.36  553.065 20725.49  432.310  146.746   1.9415  146.061   1.5247 0.6849060 2.468683 
1 1 1  -15    8   12 o  114.890   1.2154 12825.21  271.036 12627.16  380.384 13029.46  386.289  113.989   1.7191  115.790   1.7186 -1.801613 2.430804 
1 1 1  -15    8   13 o   62.166   0.8405  3748.22  101.222  3831.23  148.581  3676.32  138.275   62.806   1.2187   61.525   1.1578 1.280785 1.680965 
1 1 1  -15    8   14 o   83.808   1.0020  6823.36  163.004  6872.60  231.903  6775.28  229.168   84.106   1.4204   83.509   1.4137 0.5972366 2.004014 
1 1 1  -15    8   15 o   53.716   0.8165  2797.21   84.798  2860.75  126.332  2745.11  114.400   54.269   1.1992   53.164   1.1085 1.105038 1.633074 
1 1 1  -15    8   16 o  129.697   1.3182 16360.16  331.853 16271.03  466.334 16451.59  472.347  129.340   1.8574  130.054   1.8710 -0.7136536 2.636367 
1 1 1  -15    8   17 o   61.420   3.6251  3720.02  430.891  4126.98  620.039  3339.92  599.237   64.703   4.9366   58.137   5.3098 6.566116 7.250104 
1 1 1  -15    8   18 o   86.457   1.0609  7268.06  177.933  7220.68  255.982  7312.34  247.502   86.181   1.5301   86.732   1.4701 -0.5508041 2.121885 
1 1 1  -15    8   19 f   86.930   1.0662  7350.38  179.838  7220.53  256.470  7475.98  252.242   86.172   1.5332   87.688   1.4819 -1.516388 2.132302 
1 1 1  -15    8   20 o   90.191   0.9635  7858.48  158.796  8057.66  277.499  7761.50  193.633   91.009   1.5708   89.372   1.1161 1.637215 1.926919 
1 1 1  -15    8   21 o   32.813   0.9582  1074.12   56.300  975.029   98.972  1121.53   68.455   31.652   1.6108   33.974   1.0380 -2.321815 1.916303 
1 1 1  -15    8   22 o   34.889   1.0293  1224.66   62.169  1093.43  115.219  1278.56   73.840   33.505   1.7715   36.272   1.0487 -2.767204 2.058662 
1 1 1  -15    8   23 o   51.146   0.9740  2545.47   96.655  2546.84  134.595  2544.00  138.887   51.163   1.3552   51.130   1.3993 0.3265762E-01 1.948019 
1 1 1  -15    8   24 o   66.731   1.5289  4340.43  198.053   0.0000   0.0000  4340.43  198.053  ?   ?    66.731   1.5289      ?      ? 
1 1 1  -15    8   25 o   45.466   1.0974  2018.12   96.565  2024.57  131.707  2010.62  142.000   45.555   1.4894   45.378   1.6121 0.1771317 2.194763 
1 1 1  -15    8   26 o   72.585   1.1559  5156.17  162.731  5118.86  234.467  5190.84  226.036   72.319   1.6702   72.851   1.5984 -0.5322418 2.311769 
1 1 1  -15    8   27 o   50.372   1.1775  2483.79  114.299  2527.91  173.042  2449.64  152.236   50.739   1.7569   50.006   1.5683 0.7329636 2.355057 
1 1 1  -15    8   28 o   27.720   1.7673  762.106   94.298  833.026  145.097  710.249  124.073   28.789   2.5963   26.650   2.3983 2.138964 3.534542 
1 1 1  -15    8   29 o   23.585   2.0875  569.850   93.377  731.988  136.096  425.635  128.354   26.895   2.6068   20.276   3.2611 6.619101 4.174963 
1 1 1  -15    8   30 o   10.434   2.9362   63.567   92.591  157.730  139.441 -10.6940  123.831   12.307   4.4901   8.5602   3.7846 3.747226 5.872367 
1 1 1  -15    8   31 o   20.847   2.7054  489.713  105.423  481.313  147.195  498.560  151.060   20.673   3.8083   21.021   3.8436 -0.3485508 5.410772 
1 1 1  -15    8   32 o   19.316   2.9549  448.551  107.540  431.536  154.684  464.468  149.613   18.814   4.3259   19.818   4.0265 -1.003702 5.909765 
1 1 1  -15    9    1 o  103.973   0.8383 10497.68  168.902 10526.84  232.376 10465.02  245.927  104.127   1.1496  103.819   1.2203 0.3082504 1.676542 
1 1 1  -15    9    2 o  163.214   1.1650 25874.55  369.065 26049.70  518.676 25694.91  525.261  163.775   1.6315  162.654   1.6636 1.121140 2.330081 
1 1 1  -15    9    3 o  112.472   0.8946 12278.65  195.291 12492.76  279.329 12073.92  273.141  113.430   1.2686  111.513   1.2618 1.917450 1.789278 
1 1 1  -15    9    4 f   90.257   0.7747  7907.79  135.709  7980.40  193.770  7837.88  190.126   90.664   1.1010   89.851   1.0901 0.8129501 1.549341 
1 1 1  -15    9    5 o   89.552   0.7728  7785.95  134.328  7796.51  189.128  7775.20  190.821   89.613   1.0872   89.490   1.0985 0.1228027 1.545531 
1 1 1  -15    9    6 o  121.161   0.9548 14253.48  224.548 14389.06  319.189 14120.63  315.953  121.732   1.3508  120.591   1.3497 1.140732 1.909526 
1 1 1  -15    9    7 o   34.521   0.5856  1157.28   39.229  1183.50   55.197  1130.51   55.762   34.916   0.8144   34.126   0.8418 0.7907677 1.171227 
1 1 1  -15    9    8 o   92.502   0.7840  8307.78  140.773  8337.79  198.984  8277.70  199.184   92.669   1.1062   92.334   1.1113 0.3346786 1.567974 
1 1 1  -15    9    9 o  124.068   0.9664 14946.04  232.724 15214.31  331.671 14685.87  326.629  125.164   1.3651  122.971   1.3683 2.193039 1.932811 
1 1 1  -15    9   10 o  192.094   1.2914 35855.86  481.548 36239.70  684.200 35479.10  677.869  193.113   1.8252  191.075   1.8276 2.037567 2.582892 
1 1 1  -15    9   11 o   46.228   0.7255  2070.35   59.068  2086.25  109.939  2063.90   70.035   46.348   1.2219   46.108   0.7825 0.2406311 1.451015 
1 1 1  -15    9   12 o   15.062   1.6202  224.225   43.798  223.179   74.515  224.776   54.137   14.917   2.6714   15.207   1.8339 -0.2898760 3.240349 
1 1 1  -15    9   13 o   48.133   0.7866  2246.08   72.815  2277.97  111.136  2222.09   96.384   48.430   1.1822   47.836   1.0380 0.5940208 1.573185 
1 1 1  -15    9   14 o   97.473   1.1096  9231.22  209.938  9081.94  294.904  9384.61  298.931   96.674   1.5715   98.272   1.5670 -1.598022 2.219256 
1 1 1  -15    9   15 o   26.724   0.9801  676.265   48.923  757.440   83.093  633.194   60.527   27.917   1.5333   25.531   1.2213 2.385883 1.960256 
1 1 1  -15    9   16 o   40.728   0.8059  1624.42   62.911  1517.12   95.017  1708.17   83.948   39.517   1.2386   41.938   1.0312 -2.420551 1.611703 
1 1 1  -15    9   17 o   37.444   0.8645  1363.14   62.135  1355.16   95.116  1369.09   82.066   37.345   1.3121   37.542   1.1261 -0.1970100 1.729054 
1 1 1  -15    9   18 o   81.568   1.0276  6470.72  162.625  6279.21  231.197  6658.27  228.796   80.370   1.4819   82.765   1.4241 -2.395271 2.055252 
1 1 1  -15    9   19 f   77.839   1.0104  5896.16  152.382  5787.95  221.318  5993.69  210.120   77.155   1.4777   78.523   1.3785 -1.368187 2.020850 
1 1 1  -15    9   20 o   69.979   0.9457  4765.99  128.218  4670.23  186.085  4852.56  176.917   69.305   1.3832   70.653   1.2900 -1.348160 1.891352 
1 1 1  -15    9   21 o   88.534   0.9958  7681.73  159.418  7464.64  280.493  7785.32  193.753   87.567   1.6501   89.501   1.1152 -1.933212 1.991627 
1 1 1  -15    9   22 o  105.272   1.1365 10804.95  218.371 10738.71  379.536 10837.74  266.991  104.978   1.8625  105.567   1.3029 -0.5897141 2.272950 
1 1 1  -15    9   23 o   29.231   1.3078  825.749   73.875  749.416   99.067  921.367  110.878   27.723   1.8409   30.738   1.8582 -3.015072 2.615687 
1 1 1  -15    9   24 o   29.099   1.3273  826.581   73.987  822.795   96.983  831.851  114.438   29.035   1.7207   29.164   2.0215 -0.1286068 2.654651 
1 1 1  -15    9   25 o   23.790   2.2820  556.073  105.382   0.0000   0.0000  556.073  105.382  ?   ?    23.790   2.2820      ?      ? 
1 1 1  -15    9   26 o   17.331   2.4715  310.938   79.941  326.311  119.713  298.566  107.394   17.693   3.6079   16.970   3.3789 0.7233200 4.943076 
1 1 1  -15    9   27 o   35.065   1.3101  1198.63   88.436  1290.49  135.818  1131.02  116.523   36.200   1.9328   33.929   1.7692 2.270786 2.620229 
1 1 1  -15    9   28 o   47.287   1.1634  2208.17  106.466  2091.13  153.909  2315.57  147.431   46.049   1.7218   48.524   1.5652 -2.474682 2.326877 
1 1 1  -15    9   29 o   32.509   1.5543  1056.89   97.909  1061.59  142.911  1052.72  134.409   32.549   2.2618   32.470   2.1325 0.7965088E-01 3.108595 
1 1 1  -15    9   30 o   14.601   3.0428  243.723   91.718  261.742  137.263  229.189  123.279   15.029   4.4143   14.174   4.1891 0.8550034 6.085629 
1 1 1  -15    9   31 f   21.716   2.4345  509.566  102.321  520.975  151.096  499.902  139.060   21.862   3.5604   21.569   3.3212 0.2927818 4.868961 
1 1 1  -15    9   32 o   13.971   3.2827  247.145  104.991  276.028  143.752  214.123  153.705   14.787   4.5571   13.155   4.7264 1.631730 6.565489 
1 1 1  -15   10    1 o  197.440   1.2435 37886.56  473.203 38057.48  633.372 37670.64  711.913  197.953   1.6483  196.927   1.8623 1.026077 2.486982 
1 1 1  -15   10    2 o   48.310   0.5855  2265.48   54.900  2261.85   76.950  2269.23   78.349   48.270   0.8212   48.349   0.8348 -0.7857895E-01 1.171029 
1 1 1  -15   10    3 o   86.200   0.7585  7213.38  126.913  7278.75  180.303  7149.19  178.671   86.587   1.0727   85.813   1.0726 0.7740860 1.516969 
1 1 1  -15   10    4 o  107.188   0.8771 11153.97  182.442 11101.06  254.778 11209.65  261.371  106.927   1.2275  107.448   1.2531 -0.5208969 1.754137 
1 1 1  -15   10    5 o   63.019   0.6167  3854.90   75.438  3890.55  107.390  3820.17  105.994   63.307   0.8739   62.731   0.8704 0.5751686 1.233411 
1 1 1  -15   10    6 o  254.794   1.5008 63080.18  742.226 63109.84  1056.79 63051.29  1042.68  254.852   2.1362  254.737   2.1086 0.1145630 3.001574 
1 1 1  -15   10    7 o  113.390   0.9120 12485.17  200.727 12559.55  282.969 12409.83  284.780  113.730   1.2817  113.050   1.2977 0.6805573 1.823973 
1 1 1  -15   10    8 o   30.301   0.6478  890.430   38.059  909.422   55.413  873.470   52.364   30.606   0.9327   29.995   0.8993 0.6108074 1.295631 
1 1 1  -15   10    9 o  126.259   0.9878 15482.44  242.098 15405.81  341.805 15559.58  342.954  125.946   1.3981  126.573   1.3958 -0.6271439 1.975582 
1 1 1  -15   10   10 o  123.897   0.9704 14909.44  233.369 14880.15  327.965 14939.48  332.142  123.775   1.3650  124.020   1.3796 -0.2455444 1.940778 
1 1 1  -15   10   11 o  147.647   1.2630 21122.51  352.660 21469.44  568.893 20905.99  449.433  148.607   1.9721  146.687   1.5784 1.920227 2.525938 
1 1 1  -15   10   12 o   67.782   0.8779  4454.92  115.274  4570.78  169.402  4355.00  157.312   68.600   1.2721   66.963   1.2102 1.636520 1.755814 
1 1 1  -15   10   13 o   46.060   0.7743  2048.71   67.915  2118.95  107.816  2002.50   87.444   46.708   1.1891   45.411   0.9920 1.296944 1.548548 
1 1 1  -15   10   14 o   67.357   0.8894  4406.81  116.235  4224.32  163.451  4593.52  165.326   65.946   1.2768   68.769   1.2385 -2.823044 1.778801 
1 1 1  -15   10   15 f   11.838   2.0288  128.366   44.239  192.125   78.583   98.785   53.527   13.767   3.0234   9.9103   2.7062 3.856324 4.057607 
1 1 1  -15   10   16 f   56.638   0.8147  3112.06   89.136  3155.80  133.159  3076.54  119.981   56.996   1.2035   56.280   1.0982 0.7160797 1.629310 
1 1 1  -15   10   17 o   39.867   0.8337  1524.19   63.150  1637.95  101.722  1452.86   80.552   41.058   1.2763   38.675   1.0730 2.383278 1.667381 
1 1 1  -15   10   18 o   68.014   0.9352  4501.23  123.217  4393.95  178.838  4598.19  170.008   67.238   1.3702   68.789   1.2732 -1.551331 1.870392 
1 1 1  -15   10   19 o   37.751   0.8286  1421.34   54.449  1301.30  100.748  1470.87   64.714   36.586   1.4186   38.917   0.8566 -2.331230 1.657187 
1 1 1  -15   10   20 o   54.813   0.7962  2942.12   78.346  2859.61  139.720  2979.97   94.622   54.235   1.3271   55.390   0.8800 -1.154861 1.592390 
1 1 1  -15   10   21 o   47.299   0.8427  2175.10   69.296  2174.39  131.475  2175.38   81.542   47.277   1.4326   47.321   0.8877 -0.4414368E-01 1.685321 
1 1 1  -15   10   22 o   50.485   0.8559  2494.75   76.627  2436.61  139.807  2519.72   91.613   50.044   1.4392   50.926   0.9267 -0.8824196 1.711747 
1 1 1  -15   10   23 o   45.051   1.0277  1976.38   89.841  2004.11  125.863  1947.56  128.280   45.376   1.4289   44.726   1.4775 0.6491928 2.055451 
1 1 1  -15   10   24 o   10.867   2.1942  116.050   58.857  203.374   75.531 -18.9571   93.915   14.119   2.8540   7.6142   3.3335 6.504803 4.388307 
1 1 1  -15   10   25 o   35.881   1.7870  1259.29  124.464   0.0000   0.0000  1259.29  124.464  ?   ?    35.881   1.7870      ?      ? 
1 1 1  -15   10   26 o   54.329   1.0917  2878.11  114.877  3003.44  169.367  2771.31  156.336   55.413   1.5745   53.245   1.5126 2.168633 2.183346 
1 1 1  -15   10   27 o   19.378   2.2978  396.244   81.954  305.635  120.618  473.945  111.696   16.965   3.7612   21.791   2.6405 -4.825991 4.595554 
1 1 1  -15   10   28 f   16.576   2.6044  305.710   83.393  209.732  127.536  377.395  110.220   13.894   4.2941   19.259   2.9483 -5.364373 5.208794 
1 1 1  -15   10   29 o   13.201   2.8994  185.467   90.606   67.086  134.446  283.970  122.640   10.380   4.2316   16.021   3.9648 -5.641413 5.798838 
1 1 1  -15   10   30 o   23.263   2.1348  563.781   96.224  611.715  138.587  519.164  133.706   24.256   2.9433   22.269   3.0930 1.987246 4.269631 
1 1 1  -15   10   31 o   16.325   3.0534  320.235   98.172  291.182  151.582  341.226  128.844   15.442   4.6640   17.208   3.9419 -1.765723 6.106712 
1 1 1  -15   10   32 o   10.663   3.1669   85.457  111.348  129.370  162.937   46.981  152.518   11.442   4.6609   9.8838   4.2887 1.558530 6.333776 
1 1 1  -15   11    1 o   47.582   0.5846  2199.54   53.950  2255.81   75.432  2140.61   77.192   48.206   0.8061   46.958   0.8468 1.247364 1.169150 
1 1 1  -15   11    2 o   25.524   0.7567  632.053   37.480  616.812   52.149  648.338   53.904   25.206   1.0658   25.842   1.0746 -0.6360531 1.513490 
1 1 1  -15   11    3 o   46.578   0.5833  2105.29   52.708  2085.54   73.135  2126.62   76.030   46.351   0.8128   46.805   0.8368 -0.4540482 1.166599 
1 1 1  -15   11    4 o   50.574   0.5740  2481.61   56.325  2523.89   81.083  2442.18   78.301   50.990   0.8192   50.158   0.8042 0.8320160 1.147961 
1 1 1  -15   11    5 o   38.409   0.5976  1431.67   44.533  1445.74   64.175  1418.60   61.847   38.591   0.8567   38.227   0.8334 0.3637543 1.195206 
1 1 1  -15   11    6 f   95.961   0.9617  8948.53  171.779  8965.43  214.508  8918.31  286.812   96.094   1.1500   95.828   1.5418 0.2658463 1.923463 
1 1 1  -15   11    7 o  136.499   1.0831 18090.04  286.549 18200.84  417.379 17991.26  394.106  136.892   1.5707  136.107   1.4917 0.7858276 2.166114 
1 1 1  -15   11    8 o   49.950   0.5836  2420.52   56.570  2349.00   78.849  2496.39   81.209   49.190   0.8258   50.710   0.8250 -1.519745 1.167251 
1 1 1  -15   11    9 o  100.277   0.8188  9759.94  159.351  9980.90  228.383  9550.32  222.447  101.383   1.1605   99.172   1.1555 2.210777 1.637646 
1 1 1  -15   11   10 o   76.047   0.6865  5615.79  101.327  5709.01  143.160  5522.21  143.436   76.680   0.9618   75.415   0.9798 1.265472 1.372959 
1 1 1  -15   11   11 o  159.154   1.2936 24564.42  388.931 24860.21  628.663 24381.01  495.040  159.903   2.0253  158.405   1.6099 1.497971 2.587239 
1 1 1  -15   11   12 o  101.373   1.1060  9986.68  217.587  9911.52  310.465 10059.23  305.037  100.997   1.5836  101.750   1.5444 -0.7525711 2.211972 
1 1 1  -15   11   13 o   60.261   0.8369  3502.18   97.093  3712.57  148.780  3346.12  128.141   61.824   1.2397   58.697   1.1246 3.126556 1.673820 
1 1 1  -15   11   14 o   40.660   0.8068  1602.59   63.073  1627.65   96.419  1583.86   83.390   40.935   1.2134   40.385   1.0637 0.5509033 1.613641 
1 1 1  -15   11   15 o   55.378   0.8311  2980.32   88.426  2969.36  134.933  2988.57  117.067   55.285   1.2573   55.470   1.0872 -0.1851387 1.662182 
1 1 1  -15   11   16 o   69.305   0.9085  4658.16  121.992  4798.94  179.139  4536.42  166.589   70.278   1.3131   68.332   1.2559 1.946136 1.817020 
1 1 1  -15   11   17 o   67.264   0.8963  4395.36  116.733  4407.00  171.442  4385.30  159.389   67.345   1.3114   67.184   1.2222 0.1608810 1.792635 
1 1 1  -15   11   18 o   99.804   1.1709  9687.24  226.770  9698.90  325.121  9676.20  316.456   99.860   1.6772   99.748   1.6343 0.1116714 2.341816 
1 1 1  -15   11   19 o   34.842   0.8593  1220.71   52.039  1086.24   95.753  1277.07   61.994   33.423   1.4759   36.262   0.8807 -2.838829 1.718666 
1 1 1  -15   11   20 o  120.233   1.2211 14132.60  267.397 13885.07  465.369 14254.61  326.716  119.385   2.0081  121.080   1.3901 -1.694946 2.442259 
1 1 1  -15   11   21 o   22.288   1.3319  453.554   49.323  544.140  104.581  427.641   55.934   23.608   2.2821   20.968   1.3742 2.640045 2.663875 
1 1 1  -15   11   22 o   71.804   0.8862  5049.45  116.688  4903.29  199.768  5125.14  143.763   70.987   1.4497   72.621   1.0198 -1.634468 1.772479 
1 1 1  -15   11   23 o   60.750   1.0352  3592.55  122.042  3467.73  171.378  3720.98  173.835   59.678   1.4794   61.823   1.4485 -2.144787 2.070443 
1 1 1  -15   11   24 o   14.990   2.3019  220.946   66.968  146.774   89.017  317.667  101.651   12.042   3.5599   17.937   2.9193 -5.895164 4.603834 
1 1 1  -15   11   25 o   10.890   3.9415  101.854  107.140   0.0000   0.0000  101.854  107.140  ?   ?    10.890   3.9415      ?      ? 
1 1 1  -15   11   26 o   20.956   2.1520  456.381   82.675  358.536  122.303  538.716  112.191   18.581   3.5197   23.332   2.4771 -4.751328 4.303999 
1 1 1  -15   11   27 o   20.087   2.3311  436.477   84.216  311.231  127.694  532.891  112.036   17.047   3.9382   23.128   2.4955 -6.081532 4.662252 
1 1 1  -15   11   28 o   27.641   1.6857  760.322   90.030  822.197  135.509  711.427  120.459   28.621   2.4391   26.662   2.3274 1.958256 3.371336 
1 1 1  -15   11   29 o   12.311   3.0080  155.786   86.941  180.955  131.757  136.375  115.706   12.990   4.3941   11.631   4.1090 1.358651 6.015940 
1 1 1  -15   11   30 o   12.143   3.1446  149.543   96.415  191.308  147.289  118.229  127.537   13.120   4.6359   11.167   4.2500 1.953390 6.289168 
1 1 1  -15   11   31 o   32.560   1.7070  1084.55  107.004  1127.73  163.225  1052.00  141.702   33.024   2.5462   32.096   2.2744 0.9284325 3.414061 
1 1 1  -15   11   32 o   10.336   3.0160   62.264  104.864 -47.5334  147.792  173.583  148.812   8.4638   3.8970   12.208   4.6041 -3.744452 6.031962 
1 1 1  -15   12    1 o   96.526   0.7889  9043.30  147.605  8995.96  203.058  9096.34  214.938   96.259   1.0867   96.793   1.1439 -0.5340042 1.577824 
1 1 1  -15   12    2 o   51.195   0.5857  2544.42   58.168  2666.34   82.691  2424.99   81.840   52.409   0.8128   49.980   0.8435 2.428493 1.171410 
1 1 1  -15   12    3 o  108.370   0.8665 11400.05  182.104 11337.55  251.824 11468.57  263.652  108.060   1.2005  108.681   1.2497 -0.6209869 1.732924 
1 1 1  -15   12    4 o   81.570   0.7238  6459.62  114.602  6454.22  161.206  6465.13  162.951   81.536   1.0185   81.604   1.0287 -0.6868744E-01 1.447598 
1 1 1  -15   12    5 o   87.509   0.7568  7434.51  128.557  7489.63  182.436  7380.15  181.185   87.831   1.0700   87.187   1.0705 0.6442642 1.513619 
1 1 1  -15   12    6 o   39.881   0.8062  1530.12   55.540  1513.56   64.917  1575.33  107.278   39.486   0.8469   40.277   1.3721 -0.7912025 1.612450 
1 1 1  -15   12    7 o  129.403   1.0116 16262.38  254.114 16263.54  360.433 16261.23  358.321  129.407   1.4348  129.398   1.4265 0.8758545E-02 2.023291 
1 1 1  -15   12    8 o  128.437   0.9813 16017.53  244.625 16306.69  348.985 15738.22  342.996  129.577   1.3874  127.298   1.3880 2.278648 1.962564 
1 1 1  -15   12    9 o   78.235   0.6988  5939.52  106.094  6110.15  152.094  5777.80  148.066   79.328   0.9877   77.141   0.9888 2.187668 1.397581 
1 1 1  -15   12   10 f  283.794   1.6123 78337.27  888.211 78679.96  1256.18 77994.63  1256.06  284.416   2.2753  283.172   2.2850 1.243988 3.224634 
1 1 1  -15   12   11 o  155.962   1.3036 23570.72  383.875 23952.27  621.953 23335.93  487.895  156.953   2.0414  154.971   1.6218 1.981613 2.607224 
1 1 1  -15   12   12 o  106.019   1.1700 10922.04  240.729 10980.93  344.312 10865.72  336.701  106.297   1.6687  105.740   1.6404 0.5568161 2.339907 
1 1 1  -15   12   13 o   74.200   2.8078  5343.03  402.828  5928.10  601.815  4868.11  542.206   77.850   3.9824   70.550   3.9591 7.299416 5.615501 
1 1 1  -15   12   14 o  132.636   1.3277 17108.70  341.795 16957.84  485.640 17256.78  481.133  132.054   1.8945  133.218   1.8605 -1.163406 2.655325 
1 1 1  -15   12   15 o  119.431   1.2815 13871.55  297.090 13699.16  419.180 14045.55  421.125  118.684   1.8195  120.177   1.8052 -1.493019 2.563034 
1 1 1  -15   12   16 o   32.988   0.8666  1043.83   54.712  1134.52   86.197  982.639   70.802   34.171   1.2995   31.805   1.1468 2.365732 1.733140 
1 1 1  -15   12   17 o   50.524   0.8398  2495.07   81.229  2382.68  124.123  2579.26  107.427   49.519   1.2913   51.530   1.0740 -2.011333 1.679524 
1 1 1  -15   12   18 o   41.336   0.7604  1603.57   53.944  1780.51  107.122  1543.46   62.438   42.804   1.2892   39.868   0.8068 2.935982 1.520867 
1 1 1  -15   12   19 o   14.931   1.6198  189.124   41.787  283.179   86.324  160.340   47.754   17.029   2.6114   12.832   1.9171 4.197413 3.239543 
1 1 1  -15   12   20 o   60.242   0.8241  3492.02   87.786  3610.92  163.287  3443.69  104.112   60.940   1.3803   59.543   0.9007 1.397533 1.648221 
1 1 1  -15   12   21 o   87.374   1.0177  7480.43  161.403  7275.02  282.009  7580.50  196.828   86.439   1.6807   88.310   1.1482 -1.870743 2.035448 
1 1 1  -15   12   22 o   26.379   1.1085  710.188   51.750  593.557   90.595  766.675   63.049   24.675   1.8914   28.082   1.1566 -3.407131 2.217006 
1 1 1  -15   12   23 o   58.591   1.0220  3335.57  116.070  3095.01  160.443  3599.71  168.122   56.377   1.4661   60.806   1.4243 -4.428780 2.044041 
1 1 1  -15   12   24 o   27.904   1.3754  763.036   74.287  741.409  108.337  782.230  102.060   27.521   2.0279   28.288   1.8586 -0.7666607 2.750807 
1 1 1  -15   12   25 o   16.839   3.3779  292.741  106.576   0.0000   0.0000  292.741  106.576  ?   ?    16.839   3.3779      ?      ? 
1 1 1  -15   12   26 o   47.944   1.0771  2229.01   99.702  2429.50  150.868  2073.55  132.846   49.833   1.5596   46.055   1.4860 3.778255 2.154156 
1 1 1  -15   12   27 o   24.814   1.7322  609.360   81.543  633.338  130.885  594.149  104.248   25.146   2.6813   24.481   2.1936 0.6647797 3.464331 
1 1 1  -15   12   28 o   16.571   2.7271  308.191   86.595  236.476  131.094  363.704  115.340   14.617   4.3199   18.526   3.3296 -3.909406 5.454138 
1 1 1  -15   12   29 o   24.770   1.9340  629.136   92.306  589.469  136.060  662.962  125.643   23.956   2.9258   25.584   2.5299 -1.627888 3.867949 
1 1 1  -15   12   30 o   41.517   1.3575  1721.26  108.179  1754.99  166.437  1696.59  142.349   41.778   2.0523   41.256   1.7775 0.5216179 2.715009 
1 1 1  -15   12   31 o   14.759   3.1601  257.310  104.182  372.853  150.521  151.057  144.344   17.605   4.4130   11.914   4.5245 5.690181 6.320283 
1 1 1  -15   13    1 o   93.241   0.7919  8441.53  143.248  8456.47  199.193  8425.54  206.152   93.327   1.0995   93.155   1.1400 0.1719360 1.583859 
1 1 1  -15   13    2 o   30.889   0.9264  916.544   48.761  905.943   56.546  947.290   96.299   30.548   0.9536   31.231   1.5885 -0.6827507 1.852708 
1 1 1  -15   13    3 o   94.207   0.7764  8620.33  141.877  8729.35  197.715  8504.59  203.708   94.822   1.0742   93.592   1.1213 1.229935 1.552749 
1 1 1  -15   13    4 o   73.523   0.6674  5248.47   95.238  5314.33  134.265  5181.77  135.113   73.987   0.9349   73.058   0.9527 0.9288788 1.334771 
1 1 1  -15   13    5 o  126.691   0.9730 15583.06  239.261 15374.33  334.963 15800.49  341.875  125.825   1.3714  127.557   1.3807 -1.731514 1.946034 
1 1 1  -15   13    6 o   27.578   0.6551  739.292   35.026  705.846   49.970  771.596   49.109   26.964   0.9547   28.192   0.8974 -1.228313 1.310227 
1 1 1  -15   13    7 o  102.735   1.0137 10251.45  192.778 10252.77  239.020 10249.00  326.086  102.755   1.1983  102.716   1.6354 0.3929138E-01 2.027444 
1 1 1  -15   13    8 o  150.396   1.1260 21973.62  328.728 21979.77  463.371 21967.39  466.427  150.418   1.5870  150.375   1.5979 0.4327393E-01 2.252028 
1 1 1  -15   13    9 o  144.904   1.0932 20397.11  307.486 20054.96  432.941 20745.36  436.786  143.677   1.5523  146.130   1.5398 -2.453232 2.186458 
1 1 1  -15   13   10 o   48.559   0.7527  2281.38   64.728  2269.45   77.005  2310.11  119.490   48.348   0.8205   48.770   1.2622 -0.4217262 1.505399 
1 1 1  -15   13   11 o  170.672   1.3847 28367.77  447.762 28096.96  714.116 28543.22  574.786  169.968   2.1644  171.376   1.7278 -1.407959 2.769445 
1 1 1  -15   13   12 o  121.874   1.2797 14429.58  302.513 14662.97  438.090 14216.88  418.237  122.812   1.8376  120.936   1.7816 1.876686 2.559462 
1 1 1  -15   13   13 o  146.503   1.3963 20869.87  397.072 20502.46  558.964 21244.14  564.163  145.200   1.9831  147.805   1.9663 -2.605438 2.792691 
1 1 1  -15   13   14 o  138.244   1.3815 18589.95  370.719 18708.66  523.304 18470.34  525.252  138.688   1.9438  137.799   1.9636 0.8891602 2.762986 
1 1 1  -15   13   15 o   82.573   1.0068  6624.82  161.192  6648.21  233.857  6603.65  222.487   82.709   1.4566   82.436   1.3903 0.2729416 2.013616 
1 1 1  -15   13   16 o  154.876   1.5058 23348.91  452.714 23303.18  640.573 23394.56  639.896  154.724   2.1328  155.029   2.1263 -0.3044281 3.011652 
1 1 1  -15   13   17 o   84.918   1.0610  7011.31  174.855  6848.96  247.605  7172.82  246.960   83.935   1.5197   85.900   1.4810 -1.965042 2.122000 
1 1 1  -15   13   18 o   25.874   1.0350  649.507   42.998  653.208   91.976  648.472   48.641   25.909   1.8288   25.839   0.9698 0.7017136E-01 2.069987 
1 1 1  -15   13   19 o   30.824   0.9377  908.238   48.722  954.773   98.204  893.044   56.116   31.326   1.6149   30.321   0.9534 1.005920 1.875361 
1 1 1  -15   13   20 o   32.083   0.9911  975.588   52.053  1048.35  110.095  954.639   59.072   32.818   1.7282   31.348   0.9708 1.470171 1.982182 
1 1 1  -15   13   21 o   65.088   0.8622  4192.72  101.630  3908.58  176.324  4334.08  124.366   63.386   1.4330   66.789   0.9592 -3.403175 1.724432 
1 1 1  -15   13   22 o   41.452   0.8841  1665.78   63.188  1682.60  121.796  1659.59   73.913   41.576   1.5091   41.328   0.9213 0.2479401 1.768114 
1 1 1  -15   13   23 f   8.4670   2.4441   7.5927   66.218 -46.6095   88.707   75.805   99.514   6.8864   3.1117   10.048   3.7699 -3.161144 4.888206 
1 1 1  -15   13   24 o   43.852   1.0784  1876.08   91.762  1812.34  129.581  1940.19  129.962   43.102   1.5488   44.603   1.5010 -1.501259 2.156782 
1 1 1  -15   13   25 o   68.793   1.5170  4621.96  202.582   0.0000   0.0000  4621.96  202.582  ?   ?    68.793   1.5170      ?      ? 
1 1 1  -15   13   26 o   42.928   1.5446  1802.98  128.716   0.0000   0.0000  1802.98  128.716  ?   ?    42.928   1.5446      ?      ? 
1 1 1  -15   13   27 o   11.552   2.6787   71.928   80.425  270.662  131.098 -47.9989  101.840   15.778   4.2044   7.3270   3.3203 8.450925 5.357366 
1 1 1  -15   13   28 o   11.540   2.8727  130.877   83.634   59.197  130.763  180.497  108.796   10.160   4.1611   12.921   3.9616 -2.761089 5.745357 
1 1 1  -15   13   29 o   8.8681   2.7408  -2.8101   90.203 -44.2593  136.336   29.460  120.296   8.5198   3.8530   9.2165   3.8989 -0.6966152 5.481539 
1 1 1  -15   13   30 o   22.397   2.4439  562.056   98.687  412.427  146.732  685.643  133.353   19.002   4.0984   25.793   2.6634 -6.790661 4.887840 
1 1 1  -15   13   31 o   16.408   3.1030  328.251  102.782  256.447  147.095  396.757  143.678   14.453   4.6316   18.363   4.1308 -3.909933 6.206076 
1 1 1  -15   14    1 o   49.500   0.5773  2374.98   55.377  2320.72   75.734  2437.32   81.181   48.894   0.7979   50.107   0.8346 -1.212822 1.154691 
1 1 1  -15   14    2 o   94.605   0.7861  8691.90  144.165  8732.02  199.106  8647.69  209.015   94.835   1.0816   94.374   1.1409 0.4608002 1.572100 
1 1 1  -15   14    3 o  166.068   1.1292 26800.42  362.640 26951.72  492.688 26621.53  535.711  166.585   1.5236  165.551   1.6670 1.034134 2.258370 
1 1 1  -15   14    4 f  212.599   1.2817 43823.98  525.158 43213.85  699.565 44611.76  794.909  210.918   1.7086  214.280   1.9110 -3.362061 2.563495 
1 1 1  -15   14    5 o  111.432   0.8816 12045.21  190.201 11894.74  259.045 12221.21  280.164  110.679   1.2057  112.185   1.2865 -1.505280 1.763191 
1 1 1  -15   14    6 o   78.382   0.7117  5964.89  108.291  5949.05  153.098  5980.76  153.194   78.277   1.0076   78.486   1.0055 -0.2083893 1.423450 
1 1 1  -15   14    7 o   93.206   0.7912  8434.86  143.154  8509.09  203.481  8362.13  201.434   93.612   1.1198   92.800   1.1182 0.8118362 1.582484 
1 1 1  -15   14    8 o  123.877   0.9865 14903.64  237.197 15048.47  337.682 14762.58  333.256  124.471   1.3976  123.283   1.3925 1.187691 1.972915 
1 1 1  -15   14    9 o   92.273   0.8010  8264.53  143.441  8097.27  200.154  8441.14  205.670   91.314   1.1292   93.233   1.1364 -1.918449 1.602024 
1 1 1  -15   14   10 o   77.666   0.6986  5857.15  105.318  5874.54  148.827  5839.70  149.056   77.782   0.9857   77.551   0.9901 0.2311707 1.397125 
1 1 1  -15   14   11 o   87.539   0.9085  7414.84  146.444  7532.54  251.486  7354.45  180.136   88.052   1.4713   87.025   1.0663 1.026909 1.817094 
1 1 1  -15   14   12 o  109.073   1.2072 11562.59  255.400 11586.64  368.841 11540.44  353.997  109.179   1.7403  108.967   1.6735 0.2117844 2.414447 
1 1 1  -15   14   13 o  103.480   1.1627 10412.26  233.437 10101.15  331.604 10717.90  328.674  101.944   1.6757  105.016   1.6123 -3.071594 2.325389 
1 1 1  -15   14   14 o   67.287   0.8990  4414.00  116.849  4216.43  171.700  4584.44  159.476   65.875   1.3427   68.698   1.1959 -2.822243 1.798051 
1 1 1  -15   14   15 o  180.741   1.7487 31736.35  605.282 31291.46  791.000 32364.90  940.201  179.269   2.2730  182.212   2.6581 -2.942810 3.497487 
1 1 1  -15   14   16 o  126.727   1.3746 15624.09  338.138 15827.44  481.186 15425.71  475.268  127.542   1.9435  125.913   1.9445 1.629166 2.749253 
1 1 1  -15   14   17 o   42.844   0.7361  1794.29   54.067  1758.84  104.388  1807.29   63.206   42.545   1.2640   43.143   0.7547 -0.5977516 1.472145 
1 1 1  -15   14   18 o   32.225   0.8840  1046.60   46.222  940.877   94.620  1079.74   52.972   31.105   1.5671   33.345   0.8184 -2.240005 1.767913 
1 1 1  -15   14   19 o   22.412   1.3323  531.540   45.406  421.499   97.947  561.661   51.245   20.782   2.4279   24.042   1.0980 -3.260296 2.664689 
1 1 1  -15   14   20 o   23.450   1.2652  526.430   47.346  551.584  103.142  519.714   53.293   23.778   2.2346   23.123   1.1873 0.6544056 2.530456 
1 1 1  -15   14   21 o   53.649   0.8236  2789.62   77.721  2817.08  145.022  2778.56   92.058   53.816   1.3882   53.481   0.8867 0.3351440 1.647246 
1 1 1  -15   14   22 o   18.641   1.9322  416.982   48.823  246.956  107.751  460.908   54.768   15.514   3.6405   21.768   1.2961 -6.253594 3.864349 
1 1 1  -15   14   23 f   6.9484   2.2072 -46.1049   62.212 -72.4777   83.961 -13.9981   92.640   6.2313   2.8931   7.6655   3.3343 -1.434201 4.414461 
1 1 1  -15   14   24 o   23.151   1.6607  526.535   73.383  407.157  100.850  660.862  106.978   20.336   2.5547   25.966   2.1224 -5.629366 3.321327 
1 1 1  -15   14   25 o   32.803   1.7554  1053.50  111.778   0.0000   0.0000  1053.50  111.778  ?   ?    32.803   1.7554      ?      ? 
1 1 1  -15   14   26 o   13.603   3.7700  194.404  102.996   0.0000   0.0000  194.404  102.996  ?   ?    13.603   3.7700      ?      ? 
1 1 1  -15   14   27 o   25.209   1.7089  614.945   82.077  738.862  132.564  537.913  104.520   27.177   2.5128   23.240   2.3168 3.936323 3.417885 
1 1 1  -15   14   28 o   21.304   2.2342  446.847   86.907  663.279  140.785  313.599  110.466   25.508   2.8432   17.099   3.4470 8.409002 4.468331 
1 1 1  -15   14   29 o   22.501   2.1390  514.111   91.703  670.374  139.333  394.694  121.804   25.559   2.8083   19.444   3.2272 6.115410 4.277997 
1 1 1  -15   14   30 f   15.900   3.1178  299.742   99.484  280.183  151.727  314.492  131.760   15.301   4.6762   16.499   4.1249 -1.198482 6.235550 
1 1 1  -15   14   31 o   9.7039   2.9423   35.219   97.978   96.379  154.383  -6.0264  126.781   10.877   4.4954   8.5305   3.7975 2.346728 5.884655 
1 1 1  -15   15    1 o  123.982   0.9413 14902.11  225.893 14608.40  306.641 15250.63  334.034  122.651   1.2879  125.314   1.3732 -2.662636 1.882658 
1 1 1  -15   15    2 o  193.716   1.2241 36482.16  457.877 36722.27  617.688 36189.29  682.177  194.434   1.6366  192.999   1.8209 1.434738 2.448240 
1 1 1  -15   15    3 o  174.865   1.1714 29688.43  395.473 29563.83  531.713 29842.70  591.641  174.462   1.5700  175.268   1.7390 -0.8061218 2.342863 
1 1 1  -15   15    4 o  127.758   0.9696 15835.12  239.775 15645.61  326.030 16058.37  353.865  126.929   1.3232  128.587   1.4177 -1.658241 1.939249 
1 1 1  -15   15    5 o  197.882   1.2537 38065.84  479.257 38268.66  647.649 37820.36  712.533  198.475   1.6810  197.289   1.8605 1.186218 2.507461 
1 1 1  -15   15    6 o  126.996   0.9937 15664.09  244.960 15614.48  345.940 15713.98  346.913  126.794   1.4055  127.197   1.4050 -0.4033890 1.987340 
1 1 1  -15   15    7 o   55.734   0.5861  3015.36   63.386  3001.49   88.471  3029.99   90.859   55.603   0.8197   55.866   0.8378 -0.2629852 1.172100 
1 1 1  -15   15    8 o   63.547   0.6184  3920.59   76.276  3953.58  108.057  3887.82  107.686   63.813   0.8723   63.280   0.8766 0.5330200 1.236710 
1 1 1  -15   15    9 o   33.750   0.5604  1105.67   36.707  1073.11   51.563  1139.13   52.269   33.246   0.7990   34.254   0.7861 -1.007652 1.120827 
1 1 1  -15   15   10 o   69.728   0.6506  4713.81   87.988  4549.98  121.454  4894.76  127.644   68.456   0.9140   71.001   0.9261 -2.545906 1.301176 
1 1 1  -15   15   11 o   95.404   0.9857  8895.04  174.543  8660.53  291.529  9026.07  217.917   94.405   1.5908   96.404   1.1645 -1.998413 1.971476 
1 1 1  -15   15   12 o  138.246   1.3650 18577.53  365.919 18713.53  530.709 18454.28  505.208  138.723   1.9708  137.769   1.8891 0.9536285 2.729971 
1 1 1  -15   15   13 o  109.947   1.2117 11752.85  258.539 11447.71  365.555 12058.24  365.705  108.517   1.7354  111.377   1.6915 -2.860535 2.423351 
1 1 1  -15   15   14 o   74.625   0.9440  5412.08  136.431  5394.41  199.738  5427.54  186.797   74.508   1.3810   74.742   1.2875 -0.2341003 1.888051 
1 1 1  -15   15   15 o   99.412   1.1563  9610.92  223.054  9339.89  315.979  9880.13  314.915   98.012   1.6608  100.812   1.6092 -2.800079 2.312531 
1 1 1  -15   15   16 o   58.982   0.8617  3390.23   97.675  3304.14  148.032  3456.61  129.988   58.313   1.3078   59.652   1.1226 -1.339241 1.723480 
1 1 1  -15   15   17 o  131.402   1.2796 16825.10  300.848 16731.23  542.812 16866.72  361.441  131.076   2.1333  131.729   1.4135 -0.6524963 2.559123 
1 1 1  -15   15   18 o   60.940   0.8986  3586.58  104.623  3734.25  164.607  3486.49  135.518   61.980   1.3682   59.901   1.1655 2.078800 1.797260 
1 1 1  -15   15   19 o   68.618   0.8673  4541.11  104.442  4658.91  196.367  4494.64  123.333   69.214   1.4615   68.023   0.9340 1.191277 1.734504 
1 1 1  -15   15   20 o   19.029   1.5311  358.519   46.045  344.187   99.396  362.434   51.956   18.754   2.7302   19.304   1.3865 -0.5491047 3.062125 
1 1 1  -15   15   21 o   18.886   1.7203  402.192   48.800  270.254   96.550  447.462   56.555   16.324   3.1612   21.449   1.3583 -5.125067 3.440661 
1 1 1  -15   15   22 o   37.977   0.9430  1475.68   59.194  1263.83  116.374  1549.61   68.752   36.018   1.6645   39.936   0.8869 -3.918068 1.885990 
1 1 1  -15   15   23 o   11.740   2.7120  130.470   71.531  161.588  104.927  103.451   97.770   12.700   3.8900   10.780   3.7798 1.919509 5.423903 
1 1 1  -15   15   24 o   32.230   1.1927  1017.03   74.251  1039.40  100.797  990.483  109.793   32.630   1.5913   31.830   1.7769 0.7996502 2.385325 
1 1 1  -15   15   25 o   43.342   0.9871  1839.61   82.712  1913.41  113.437  1755.82  120.862   44.287   1.3195   42.398   1.4685 1.888714 1.974250 
1 1 1  -15   15   26 o   23.357   2.3311  539.959  105.694   0.0000   0.0000  539.959  105.694  ?   ?    23.357   2.3311      ?      ? 
1 1 1  -15   15   27 f   21.822   2.0116  475.050   83.297  509.747  134.445  453.434  106.119   22.382   3.0944   21.262   2.5711 1.120167 4.023135 
1 1 1  -15   15   28 o   15.821   2.7597  286.429   84.848  211.221  135.064  335.458  109.053   13.869   4.4375   17.772   3.2820 -3.902505 5.519315 
1 1 1  -15   15   29 o   12.409   3.0370  163.085   88.521  181.512  134.451  148.986  117.608   12.909   4.4377   11.909   4.1472 0.9997530 6.073973 
1 1 1  -15   15   30 o   27.311   1.9139  794.780   97.932  629.810  147.252  925.622  131.139   24.422   3.1061   30.200   2.2369 -5.778343 3.827745 
1 1 1  -15   15   31 o   8.2807   2.6922 -54.4406   99.143 -18.2458  145.796 -85.5739  135.218   8.8533   3.9959   7.7081   3.6091 1.145194 5.384497 
1 1 1  -15   16    1 o   44.929   0.7979  1987.38   63.033  2025.95   75.091  1895.35  115.983   45.682   0.8468   44.176   1.3525 1.505409 1.595718 
1 1 1  -15   16    2 o   96.154   0.8158  8970.46  152.045  8853.25  208.809  9102.73  221.830   95.487   1.1265   96.821   1.1803 -1.334045 1.631607 
1 1 1  -15   16    3 o  135.034   0.9932 17709.97  259.761 17717.92  355.676 17700.88  380.272  135.069   1.3565  134.998   1.4511 0.7092285E-01 1.986437 
1 1 1  -15   16    4 o  193.236   1.2381 36234.22  461.952 35849.58  620.559 36712.29  691.837  192.097   1.6642  194.375   1.8336 -2.278152 2.476173 
1 1 1  -15   16    5 o  112.800   1.0853 12408.91  225.672 12518.33  279.133 12202.42  383.449  113.536   1.2665  112.064   1.7627 1.471344 2.170517 
1 1 1  -15   16    6 o  118.476   0.9152 13616.80  209.926 13429.96  285.688 13836.09  309.498  117.596   1.2515  119.356   1.3358 -1.759987 1.830489 
1 1 1  -15   16    7 o   29.533   0.6146  846.605   35.231  862.522   50.245  831.212   49.412   29.806   0.8684   29.260   0.8700 0.5460072 1.229213 
1 1 1  -15   16    8 f   77.021   0.6890  5760.12  103.006  5817.18  145.784  5703.24  145.561   77.402   0.9703   76.640   0.9784 0.7620392 1.377938 
1 1 1  -15   16    9 o   39.184   0.7789  1500.93   50.866  1510.49   58.584  1471.64  102.528   39.445   0.7651   38.924   1.3570 0.5210571 1.557794 
1 1 1  -15   16   10 o   51.762   0.7372  2563.98   67.365  2692.26  126.118  2512.76   79.684   52.649   1.2340   50.874   0.8069 1.775414 1.474398 
1 1 1  -15   16   11 f   65.140   0.7746  4106.40   91.613  4161.55  161.704  4080.33  111.177   65.454   1.2727   64.826   0.8835 0.6286545 1.549274 
1 1 1  -15   16   12 o   59.183   0.8397  3376.80   94.627  3528.16  150.594  3278.04  121.640   60.267   1.2872   58.099   1.0786 2.168430 1.679378 
1 1 1  -15   16   13 o   67.791   0.8878  4470.86  116.428  4383.06  171.001  4546.73  158.964   67.167   1.3115   68.416   1.1970 -1.248184 1.775611 
1 1 1  -15   16   14 o  103.499   1.1305 10408.11  227.022 10570.00  326.944 10257.37  315.478  104.274   1.6152  102.723   1.5821 1.550331 2.260975 
1 1 1  -15   16   15 o  123.159   1.2838 14751.65  306.820 14801.65  439.772 14704.23  428.276  123.359   1.8365  122.959   1.7943 0.4006500 2.567544 
1 1 1  -15   16   16 f   29.470   0.9752  900.512   41.655  760.391   97.338  931.925   46.088   27.959   1.7935   30.980   0.7664 -3.021257 1.950357 
1 1 1  -15   16   17 o  126.265   1.2919 15595.20  301.109 15244.05  509.307 15783.90  373.346  125.117   2.0970  127.414   1.5095 -2.297478 2.583792 
1 1 1  -15   16   18 o   32.542   0.9686  1076.32   49.140  951.315  105.797  1110.71   55.488   31.266   1.7432   33.818   0.8453 -2.552092 1.937285 
1 1 1  -15   16   19 o   71.518   0.8946  5072.81  114.619  4704.35  202.570  5246.32  139.012   69.548   1.5005   73.489   0.9745 -3.941017 1.789135 
1 1 1  -15   16   20 o   19.335   1.3029  353.691   42.943  386.391   85.822  342.769   49.599   19.897   2.2220   18.773   1.3611 1.124205 2.605727 
1 1 1  -15   16   21 o   78.057   0.9500  5952.64  132.510  5858.93  239.049  5994.21  159.208   77.579   1.5874   78.536   1.0443 -0.9570541 1.900099 
1 1 1  -15   16   22 o   21.885   1.2550  456.742   48.215  490.857   91.576  443.658   56.712   22.419   2.1043   21.352   1.3683 1.066830 2.510040 
1 1 1  -15   16   23 o   35.999   1.1660  1266.36   80.713  1250.14  122.447  1278.81  107.333   35.782   1.7629   36.217   1.5267 -0.4350166 2.332068 
1 1 1  -15   16   24 o   60.563   1.0276  3580.19  120.724  3439.73  171.285  3718.84  170.180   59.375   1.4861   61.751   1.4197 -2.376026 2.055252 
1 1 1  -15   16   25 o   12.849   2.4824  174.723   65.424  218.048   87.571  119.993   98.425   14.496   3.1979   11.203   3.7977 3.293121 4.964835 
1 1 1  -15   16   26 o   23.500   2.3623  547.466  107.761   0.0000   0.0000  547.466  107.761  ?   ?    23.500   2.3623      ?      ? 
1 1 1  -15   16   27 o   25.425   1.5815  642.630   77.883  705.266  112.695  585.363  107.758   26.625   2.1805   24.226   2.2914 2.399508 3.163078 
1 1 1  -15   16   28 o   18.466   2.4838  353.811   84.081  428.069  136.657  308.576  106.660   19.935   3.6665   16.997   3.3518 2.938444 4.967690 
1 1 1  -15   16   29 o   24.245   1.9367  596.190   90.460  668.273  138.757  542.907  119.298   25.470   2.8064   23.021   2.6696 2.449669 3.873376 
1 1 1  -15   16   30 o   11.796   3.0778  146.308   94.237  108.832  142.342  175.553  125.740   11.094   4.4128   12.497   4.2918 -1.402442 6.155663 
1 1 1  -15   16   31 o   42.921   1.3840  1868.90  114.794  1861.20  170.250  1875.32  155.445   42.749   2.0516   43.093   1.8583 -0.3442154 2.768095 
1 1 1  -15   17    1 o   89.998   0.7705  7865.21  134.475  7870.87  186.155  7859.04  194.470   90.033   1.0651   89.964   1.1136 0.6941986E-01 1.540970 
1 1 1  -15   17    2 o  121.993   0.9487 14446.60  224.374 14313.38  309.017 14595.16  326.315  121.400   1.3113  122.585   1.3713 -1.185577 1.897355 
1 1 1  -15   17    3 o  111.910   0.8880 12150.95  192.596 11968.20  264.170 12358.31  281.388  111.014   1.2259  112.806   1.2850 -1.791733 1.775950 
1 1 1  -15   17    4 o  111.516   0.8827 12069.45  190.804 11941.38  262.272 12213.45  278.098  110.890   1.2184  112.143   1.2775 -1.253082 1.765376 
1 1 1  -15   17    5 o  144.414   1.0548 20253.19  294.988 20173.41  403.207 20345.07  432.705  144.112   1.4413  144.716   1.5403 -0.6036835 2.109506 
1 1 1  -15   17    6 o   14.392   1.1260  201.919   31.095  164.210   43.312  242.033   44.671   13.000   1.7164   15.785   1.4579 -2.785179 2.251964 
1 1 1  -15   17    7 o  115.497   0.9009 12953.76  201.655 12917.80  277.309 12994.11  293.768  115.329   1.2387  115.665   1.3084 -0.3358688 1.801725 
1 1 1  -15   17    8 o   44.069   0.5526  1885.30   47.268  1910.97   67.144  1860.07   66.553   44.366   0.7796   43.771   0.7833 0.5949516 1.105143 
1 1 1  -15   17    9 o   52.786   0.5631  2697.62   57.567  2602.00   78.270  2810.30   84.965   51.770   0.7788   53.802   0.8135 -2.031700 1.126258 
1 1 1  -15   17   10 o   32.793   0.8226  1030.16   44.111  1070.99   92.732  1018.22   50.148   33.202   1.4388   32.385   0.7977 0.8173332 1.645145 
1 1 1  -15   17   11 o   53.464   0.8919  2777.23   92.523  2806.10  129.395  2747.02  132.348   53.749   1.2402   53.179   1.2821 0.5702133 1.783749 
1 1 1  -15   17   12 o   60.930   0.8647  3629.84  100.991  3441.89  153.295  3773.96  134.238   59.523   1.3267   62.337   1.1093 -2.813675 1.729406 
1 1 1  -15   17   13 o  132.122   1.3378 16985.14  342.894 16795.21  492.318 17164.08  477.856  131.399   1.9301  132.846   1.8530 -1.446671 2.675665 
1 1 1  -15   17   14 o  169.656   1.5593 28019.96  513.483 28035.93  730.119 28004.35  722.295  169.701   2.2164  169.610   2.1938 0.9042358E-01 3.118510 
1 1 1  -15   17   15 o   47.841   0.8364  2209.25   73.465  2267.16  127.228  2180.28   89.983   48.302   1.3569   47.381   0.9783 0.9209137 1.672834 
1 1 1  -15   17   16 o   33.872   0.8779  1129.32   43.839  1092.43  103.965  1137.30   48.348   33.519   1.5978   34.225   0.7277 -0.7059517 1.755764 
1 1 1  -15   17   17 o  104.860   1.1378 10857.16  218.887 10180.02  370.767 11219.42  271.189  102.275   1.8675  107.444   1.3002 -5.168999 2.275581 
1 1 1  -15   17   18 o   91.892   1.0468  8314.62  174.074  7925.15  304.264  8504.13  212.241   90.237   1.7370   93.546   1.1688 -3.308807 2.093620 
1 1 1  -15   17   19 o   42.477   0.9086  1728.67   71.323  1835.82  122.779  1674.10   87.624   43.447   1.4558   41.508   1.0875 1.939339 1.817136 
1 1 1  -15   17   20 o   17.389   1.5897  329.974   42.194  245.621   84.480  358.012   48.704   15.591   2.8980   19.187   1.3076 -3.596422 3.179380 
1 1 1  -15   17   21 o   29.359   1.1284  861.443   51.649  801.984  112.703  877.250   58.110   28.673   2.0249   30.045   0.9963 -1.372591 2.256733 
1 1 1  -15   17   22 o   39.863   0.8368  1549.37   57.756  1537.22  110.095  1553.98   67.841   39.736   1.4273   39.990   0.8739 -0.2541771 1.673587 
1 1 1  -15   17   23 o   12.171   2.5716  150.366   68.231   88.932  102.800  198.741   91.221   10.465   3.8497   13.877   3.4106 -3.411291 5.143188 
1 1 1  -15   17   24 o   35.508   1.1973  1211.81   81.361  1353.24  128.645  1117.53  105.035   37.192   1.7819   33.824   1.5997 3.367992 2.394634 
1 1 1  -15   17   25 o   49.499   1.0367  2395.96   99.445  2363.95  144.403  2424.83  137.150   49.174   1.5128   49.825   1.4180 -0.6509361 2.073477 
1 1 1  -15   17   26 o   42.106   1.5266  1737.18  124.781   0.0000   0.0000  1737.18  124.781  ?   ?    42.106   1.5266      ?      ? 
1 1 1  -15   17   27 o   7.7163   3.4197 -22.0731  101.691   0.0000   0.0000 -22.0731  101.691  ?   ?    7.7163   3.4197      ?      ? 
1 1 1  -15   17   28 f   16.967   2.6428  318.398   83.277  289.540  132.677  337.158  106.974   16.095   4.2016   17.840   3.2069 -1.745584 5.285561 
1 1 1  -15   17   29 o   23.356   2.0884  571.096   92.469  542.201  144.671  591.055  120.236   22.669   3.2877   24.043   2.5762 -1.373857 4.176803 
1 1 1  -15   17   30 o   17.199   2.7682  369.315   95.700  185.121  152.523  488.916  122.903   12.832   4.6938   21.567   2.9357 -8.734414 5.536300 
1 1 1  -15   17   31 o   10.399   2.9944   89.107   97.860   27.103  146.314  139.295  131.636   9.4602   4.1507   11.339   4.3172 -1.878537 5.988861 
1 1 1  -15   18    1 o  107.422   0.8702 11210.24  181.320 11302.13  252.087 11111.73  260.996  107.879   1.2038  106.964   1.2570 0.9153366 1.740436 
1 1 1  -15   18    2 o   87.944   0.7524  7511.43  128.362  7553.89  178.726  7466.20  184.474   88.201   1.0439   87.686   1.0838 0.5149078 1.504735 
1 1 1  -15   18    3 o  106.999   0.8646 11119.61  179.367 11141.97  247.768 11095.00  259.999  107.113   1.1916  106.884   1.2531 0.2291489 1.729241 
1 1 1  -15   18    4 o  111.821   0.8963 12144.72  194.363 12163.96  268.971 12123.69  281.177  111.915   1.2381  111.726   1.2965 0.1886520 1.792673 
1 1 1  -15   18    5 o  116.714   0.9129 13230.56  206.525 13231.86  284.498 13229.12  300.282  116.722   1.2556  116.706   1.3255 0.1634216E-01 1.825778 
1 1 1  -15   18    6 o   11.855   1.3295  139.036   29.808  127.304   42.583  150.306   41.738   11.273   2.0201   12.437   1.7289 -1.163566 2.658955 
1 1 1  -15   18    7 o   56.251   0.5838  3072.68   63.699  3089.73   88.489  3054.33   91.769   56.413   0.8081   56.089   0.8429 0.3248253 1.167633 
1 1 1  -15   18    8 o   40.741   0.5468  1608.59   43.204  1526.71   59.723  1698.48   62.578   39.655   0.7758   41.827   0.7707 -2.171520 1.093592 
1 1 1  -15   18    9 o   58.502   0.5916  3320.83   67.165  3228.17   93.651  3418.96   96.378   57.662   0.8367   59.342   0.8367 -1.679531 1.183236 
1 1 1  -15   18   10 o   88.933   0.9253  7684.90  151.680  7676.54  258.824  7689.27  187.194   88.885   1.5001   88.982   1.0837 -0.9701538E-01 1.850602 
1 1 1  -15   18   11 o   59.594   0.7595  3425.61   80.287  3506.25  148.172  3392.09   95.526   60.080   1.2705   59.107   0.8326 0.9727516 1.518975 
1 1 1  -15   18   12 o   94.010   1.1119  8589.36  202.906  8634.17  288.617  8545.56  285.317   94.252   1.5775   93.768   1.5675 0.4840546 2.223852 
1 1 1  -15   18   13 o   69.938   0.9213  4771.61  124.384  4539.41  183.204  4970.17  169.415   68.349   1.3808   71.527   1.2202 -3.178520 1.842679 
1 1 1  -15   18   14 o   69.788   0.9401  4728.03  125.398  4757.00  195.507  4707.79  163.447   69.963   1.4396   69.613   1.2095 0.3495560 1.880244 
1 1 1  -15   18   15 o   98.539   1.0471  9404.81  185.937  9527.72  332.768  9349.02  224.201   98.979   1.7319   98.099   1.1774 0.8797989 2.094233 
1 1 1  -15   18   16 o   48.041   0.7856  2273.15   60.760  2186.43  128.061  2298.34   69.023   47.429   1.3909   48.652   0.7308 -1.223392 1.571257 
1 1 1  -15   18   17 o   61.951   0.8209  3727.19   87.479  3733.12  168.917  3725.02  102.260   61.969   1.4042   61.933   0.8506 0.3611755E-01 1.641749 
1 1 1  -15   18   18 o   31.485   0.9854  985.679   46.456  929.741  107.292  998.586   51.538   30.904   1.7885   32.065   0.8280 -1.161402 1.970864 
1 1 1  -15   18   19 o   10.561   2.1017  106.516   39.075  116.296   85.143  103.906   43.980   11.001   3.5236   10.120   2.2919 0.8809843 4.203432 
1 1 1  -15   18   20 o   6.4804   2.0428  -9.0460   41.372 -49.3691   99.934  -0.7054   45.450   7.3736   3.3199   5.5872   2.3813 1.786427 4.085679 
1 1 1  -15   18   21 o   37.149   0.9381  1429.07   56.266  1185.89  113.379  1508.53   64.810   34.892   1.6739   39.406   0.8473 -4.513611 1.876135 
1 1 1  -15   18   22 o   13.688   2.1583  190.398   47.403  180.176  105.304  192.995   53.085   13.318   3.8534   14.058   1.9452 -0.7402868 4.316595 
1 1 1  -15   18   23 o   27.872   1.0360  767.944   49.557  734.780   94.857  780.394   58.120   27.422   1.7820   28.322   1.0571 -0.8997402 2.071936 
1 1 1  -15   18   24 o   9.8770   2.6019   68.921   70.918   0.2089  106.633  123.417   94.964   8.4693   3.6296   11.285   3.7290 -2.815326 5.203762 
1 1 1  -15   18   25 o   31.807   1.3097  988.496   80.528  1040.00  120.592  947.047  108.185   32.540   1.9091   31.073   1.7935 1.466625 2.619461 
1 1 1  -15   18   26 o   47.366   1.4461  2197.63  132.960   0.0000   0.0000  2197.63  132.960  ?   ?    47.366   1.4461      ?      ? 
1 1 1  -15   18   27 o   7.8026   3.4060  -7.4552   97.410   0.0000   0.0000  -7.4552   97.410  ?   ?    7.8026   3.4060      ?      ? 
1 1 1  -15   18   28 o   10.892   2.8821  105.187   80.255  127.276  130.177   91.644  101.930   11.603   4.3199   10.182   3.8164 1.420314 5.764211 
1 1 1  -15   18   29 f   31.366   1.6061  998.618   95.258  982.862  152.028  1008.80  122.228   31.009   2.5256   31.723   1.9849 -0.7140312 3.212247 
1 1 1  -15   18   30 f   28.266   1.8282  827.335   99.541  824.234  149.866  829.782  133.156   28.105   2.7470   28.427   2.4130 -0.3221226 3.656339 
1 1 1  -15   18   31 o   18.802   2.8020  433.921   99.349  319.495  154.225  515.085  129.889   15.785   4.6903   21.818   3.0669 -6.032423 5.604021 
1 1 1  -15   19    1 o  154.147   1.1487 23090.07  338.300 23100.54  441.073 23075.11  527.232  154.204   1.4735  154.089   1.7626 0.1149750 2.297409 
1 1 1  -15   19    2 o  127.412   0.9785 15761.49  241.544 15654.31  330.852 15883.82  353.456  126.951   1.3425  127.873   1.4239 -0.9212952 1.957052 
1 1 1  -15   19    3 o  125.811   0.9755 15375.56  237.888 15385.45  327.611 15364.54  345.990  125.857   1.3410  125.766   1.4172 0.9101105E-01 1.951071 
1 1 1  -15   19    4 o   80.273   0.7140  6254.04  111.146  6197.95  153.352  6316.12  161.319   79.895   0.9888   80.651   1.0304 -0.7566605 1.428095 
1 1 1  -15   19    5 o   51.006   0.5827  2524.24   57.662  2652.25   82.578  2402.42   80.552   52.267   0.8139   49.744   0.8342 2.522892 1.165464 
1 1 1  -15   19    6 o   66.362   0.6377  4275.82   82.135  4386.59  116.538  4166.49  115.779   67.216   0.8932   65.507   0.9105 1.708420 1.275432 
1 1 1  -15   19    7 o   15.601   0.9496  236.930   28.561  202.476   39.936  273.001   40.863   14.437   1.4250   16.765   1.2556 -2.328446 1.899253 
1 1 1  -15   19    8 o   80.789   0.6985  6338.22  109.499  6354.27  152.768  6321.26  157.031   80.895   0.9728   80.684   1.0026 0.2114716 1.397021 
1 1 1  -15   19    9 o   66.199   0.6266  4254.43   80.512  4285.00  115.013  4225.04  112.742   66.432   0.8919   65.965   0.8804 0.4661102 1.253252 
1 1 1  -15   19   10 o   37.278   0.7542  1366.74   47.140  1315.39   93.719  1384.14   54.541   36.798   1.3120   37.758   0.7441 -0.9602089 1.508341 
1 1 1  -15   19   11 o   44.379   0.7515  1904.48   54.680  1928.14  113.776  1897.38   62.353   44.551   1.3156   44.208   0.7266 0.3430481 1.502927 
1 1 1  -15   19   12 o   61.876   0.8338  3734.40   99.648  3530.05  145.894  3913.10  136.429   60.280   1.2468   63.472   1.1073 -3.192547 1.667517 
1 1 1  -15   19   13 o  134.642   1.4723 17631.54  381.367 17720.24  580.042 17564.01  506.147  134.917   2.2148  134.367   1.9405 0.5492706 2.944627 
1 1 1  -15   19   14 o   94.092   1.1469  8568.52  208.046  8926.76  315.784  8293.77  276.547   95.814   1.6978   92.369   1.5423 3.444611 2.293780 
1 1 1  -15   19   15 o   42.517   0.8501  1744.47   63.388  1783.70  119.242  1729.02   74.839   42.839   1.4339   42.195   0.9137 0.6440430 1.700300 
1 1 1  -15   19   16 o   27.847   1.0468  758.726   38.524  747.243  104.870  760.517   41.420   27.707   1.9498   27.986   0.7624 -0.2787857 2.093578 
1 1 1  -15   19   17 o   41.686   0.8469  1720.60   53.885  1637.21  121.680  1740.94   60.099   41.030   1.5278   42.342   0.7312 -1.312340 1.693713 
1 1 1  -15   19   18 o   62.048   0.8212  3734.77   87.479  3755.72  169.600  3727.18  102.110   62.149   1.4058   61.948   0.8491 0.2007713 1.642359 
1 1 1  -15   19   19 o   29.965   0.9123  905.823   43.511  815.990   91.541  932.042   49.454   28.953   1.6288   30.977   0.8224 -2.024282 1.824648 
1 1 1  -15   19   20 o   49.229   0.8426  2339.80   67.998  2386.26  141.761  2325.92   77.494   49.523   1.4746   48.935   0.8158 0.5881195 1.685267 
1 1 1  -15   19   21 o   29.022   1.0701  818.235   49.301  823.073  107.104  816.934   55.535   29.051   1.8992   28.993   0.9867 0.5809402E-01 2.140256 
1 1 1  -15   19   22 o   11.719   2.3634  118.582   46.192  177.100  109.940  106.037   50.903   13.241   3.9659   10.197   2.5719 3.043955 4.726864 
1 1 1  -15   19   23 o   16.749   1.9755  311.482   45.768  238.885  107.484  327.560   50.584   15.169   3.6864   18.330   1.4216 -3.160966 3.951007 
1 1 1  -15   19   24 o   29.584   1.2529  859.166   71.713  784.151  101.858  932.899  100.984   28.287   1.8550   30.880   1.6847 -2.592453 2.505798 
1 1 1  -15   19   25 o   22.810   1.5730  519.359   67.744  669.883   97.238  377.395   94.432   26.107   1.9187   19.512   2.4932 6.595110 3.146013 
1 1 1  -15   19   26 o   10.608   2.4048   92.595   60.043   27.327   77.533  190.386   94.904   7.8464   3.2078   13.370   3.5837 -5.524062 4.809642 
1 1 1  -15   19   27 o   7.4735   3.3001 -16.8488   93.871   0.0000   0.0000 -16.8488   93.871  ?   ?    7.4735   3.3001      ?      ? 
1 1 1  -15   19   28 o   27.983   1.6534  762.963   88.320  958.563  140.686  635.733  113.465   30.840   2.3500   25.125   2.3264 5.715343 3.306764 
1 1 1  -15   19   29 o   25.597   1.8436  655.055   89.758  764.911  145.615  587.737  113.989   27.197   2.7582   23.997   2.4470 3.199482 3.687165 
1 1 1  -15   19   30 o   11.909   3.0616  156.521   93.574  104.292  147.026  192.081  121.316   10.974   4.4431   12.844   4.2133 -1.870090 6.123157 
1 1 1  -15   20    1 o  125.733   0.9655 15359.55  235.066 15405.05  321.590 15307.36  344.453  125.937   1.3155  125.530   1.4136 0.4071274 1.930977 
1 1 1  -15   20    2 o   50.645   2.5434  2629.45   81.393  2637.10   82.593  2372.04  479.262   52.118   0.8164   49.173   5.0209 2.944443 5.086820 
1 1 1  -15   20    3 o   38.171   0.5999  1405.16   44.142  1339.35   58.529  1491.98   67.221   37.142   0.8118   39.201   0.8834 -2.058289 1.199733 
1 1 1  -15   20    4 o   50.948   0.5753  2523.18   56.773  2575.25   78.280  2465.41   82.461   51.503   0.7830   50.392   0.8430 1.111347 1.150517 
1 1 1  -15   20    5 o   86.745   0.7488  7292.61  125.731  7125.34  170.725  7490.86  185.859   85.662   1.0267   87.829   1.0901 -2.167145 1.497505 
1 1 1  -15   20    6 f   76.441   0.6931  5673.62  102.800  5668.22  143.339  5679.33  147.513   76.404   0.9665   76.478   0.9936 -0.7389832E-01 1.386128 
1 1 1  -15   20    7 o   68.149   0.8156  4512.13   99.135  4514.82  118.740  4505.94  180.107   68.190   0.8970   68.107   1.3623 0.8337402E-01 1.631116 
1 1 1  -15   20    8 o   78.420   0.6951  5966.19  105.710  5857.25  145.740  6087.13  153.560   77.666   0.9667   79.174   0.9991 -1.508217 1.390238 
1 1 1  -15   20    9 o   26.967   0.6334  706.637   32.985  711.452   44.520  700.778   49.113   27.069   0.8472   26.864   0.9418 0.2049446 1.266793 
1 1 1  -15   20   10 o   92.363   0.9628  8308.26  164.648  8219.22  277.592  8356.58  204.505   91.968   1.5549   92.759   1.1357 -0.7913666 1.925534 
1 1 1  -15   20   11 o   11.807   1.8845  126.848   30.571  153.538   86.277  123.015   32.692   12.363   3.4590   11.251   1.4969 1.112350 3.769038 
1 1 1  -15   20   12 o   90.868   1.1097  7986.31  194.526  8368.56  294.591  7690.79  259.030   92.780   1.6357   88.955   1.5001 3.824989 2.219390 
1 1 1  -15   20   13 o   60.328   0.8609  3503.18   98.328  3679.56  159.315  3394.66  124.969   61.537   1.3337   59.118   1.0890 2.419453 1.721796 
1 1 1  -15   20   14 o   55.983   0.7689  3044.14   71.386  3044.47  145.669  3044.03   81.894   55.973   1.3407   55.992   0.7535 -0.1858139E-01 1.537889 
1 1 1  -15   20   15 o   99.026   1.0937  9597.92  194.285  9365.42  347.294  9703.83  234.394   98.114   1.8235   99.937   1.2082 -1.823181 2.187441 
1 1 1  -15   20   16 o   94.139   1.0571  8639.90  178.891  8554.22  319.731  8678.94  215.837   93.767   1.7566   94.511   1.1765 -0.7434769 2.114148 
1 1 1  -15   20   17 o   74.189   0.8944  5247.43  114.970  5577.50  222.603  5127.35  134.264   75.727   1.5143   72.652   0.9520 3.074265 1.788715 
1 1 1  -15   20   18 o   57.038   0.7817  3122.27   75.755  3241.81  150.430  3081.66   87.685   57.744   1.3420   56.331   0.8019 1.413898 1.563344 
1 1 1  -15   20   19 o   55.401   0.8385  3076.75   78.062  2796.94  152.322  3176.42   90.908   53.616   1.4635   57.186   0.8189 -3.569172 1.677069 
1 1 1  -15   20   20 o   14.109   2.0516  200.114   39.330  195.365  105.710  200.877   42.371   13.852   3.8116   14.366   1.5193 -0.5147276 4.103245 
1 1 1  -15   20   21 o   45.185   0.8446  2001.42   62.913  1955.64  128.700  2015.80   72.117   44.819   1.4793   45.552   0.8156 -0.7327499 1.689224 
1 1 1  -15   20   22 o   14.361   1.9876  193.998   44.982  231.621   99.888  184.428   50.380   14.985   3.4977   13.738   1.8891 1.246341 3.975257 
1 1 1  -15   20   23 o   40.854   0.9365  1622.77   60.002  1633.02  132.486  1620.12   67.299   40.886   1.6693   40.822   0.8493 0.6404114E-01 1.872916 
1 1 1  -15   20   24 o   74.743   1.0921  5466.92  158.189  5332.11  228.742  5590.50  219.002   73.841   1.5958   75.645   1.4914 -1.803955 2.184269 
1 1 1  -15   20   25 o   50.265   0.9852  2460.18   95.782  2575.08  142.786  2366.18  129.150   51.318   1.4333   49.212   1.3519 2.105560 1.970327 
1 1 1  -15   20   26 o   32.149   1.1537  1018.18   71.818  1045.01   98.951  988.322  104.399   32.615   1.5629   31.684   1.6975 0.9311295 2.307408 
1 1 1  -15   20   27 o   10.654   3.6752  112.935   92.251   0.0000   0.0000  112.935   92.251  ?   ?    10.654   3.6752      ?      ? 
1 1 1  -15   20   28 o   14.060   2.8184  227.230   83.624  148.582  129.717  283.159  109.388   12.049   4.3405   16.072   3.5961 -4.022824 5.636714 
1 1 1  -15   20   29 o   13.535   3.0072  192.415   87.128  295.966  144.709  133.529  109.124   15.799   4.5008   11.271   3.9895 4.528442 6.014384 
1 1 1  -15   20   30 o   29.612   1.6981  906.123   93.192  895.280  155.791  912.166  116.294   29.206   2.7479   30.019   1.9957 -0.8127098 3.396163 
1 1 1  -15   21    1 o   24.117   0.7817  566.952   36.404  590.052   49.664  540.128   53.518   24.650   1.0379   23.583   1.1691 1.067385 1.563303 
1 1 1  -15   21    2 f   48.313   0.5838  2262.23   54.540  2222.62   73.680  2310.24   81.119   47.847   0.7933   48.780   0.8567 -0.9328880 1.167557 
1 1 1  -15   21    3 o  127.326   0.9706 15729.52  239.343 15489.61  326.428 16008.45  351.978  126.280   1.3316  128.371   1.4125 -2.091278 1.941232 
1 1 1  -15   21    4 o   23.962   0.7533  554.539   34.942  514.118   47.375  602.765   51.746   23.009   1.0607   24.914   1.0700 -1.904753 1.506585 
1 1 1  -15   21    5 o  122.104   0.9506 14471.54  224.845 14315.69  307.518 14650.56  329.585  121.401   1.3049  122.807   1.3825 -1.405930 1.901114 
1 1 1  -15   21    6 o   67.420   0.6407  4415.75   83.741  4461.08  115.845  4366.13  121.191   67.784   0.8804   67.057   0.9310 0.7266693 1.281381 
1 1 1  -15   21    7 o   82.259   0.7273  6563.46  115.987  6432.98  159.431  6710.16  169.053   81.392   1.0091   83.125   1.0477 -1.733414 1.454597 
1 1 1  -15   21    8 o   19.532   0.7576  370.425   28.719  360.186   40.326  380.962   40.909   19.258   1.0787   19.806   1.0640 -0.5477924 1.515162 
1 1 1  -15   21    9 o   74.538   0.6753  5393.83   97.629  5368.27  135.296  5421.60  141.019   74.354   0.9374   74.721   0.9722 -0.3671417 1.350515 
1 1 1  -15   21   10 o   57.183   0.7587  3154.74   77.221  3228.01  141.646  3123.76   92.114   57.645   1.2658   56.720   0.8366 0.9246597 1.517316 
1 1 1  -15   21   11 o   56.804   0.8412  3144.68   89.625  3094.30  146.488  3174.82  113.308   56.433   1.3372   57.175   1.0209 -0.7423820 1.682396 
1 1 1  -15   21   12 o   26.393   0.9957  688.928   38.946  658.437   91.466  695.680   43.043   26.020   1.8109   26.767   0.8284 -0.7470379 1.991372 
1 1 1  -15   21   13 o   67.320   0.9186  4407.21  118.688  4378.33  181.754  4428.67  156.717   67.122   1.3949   67.518   1.1957 -0.3958817 1.837270 
1 1 1  -15   21   14 o   33.426   0.8370  997.515   36.941  1209.65  105.829  968.081   39.420   35.274   1.5455   31.577   0.6431 3.696909 1.673997 
1 1 1  -15   21   15 o   87.860   0.9984  7471.15  156.004  7583.74  286.032  7423.47  186.125   88.304   1.6687   87.416   1.0968 0.8871078 1.996883 
1 1 1  -15   21   16 o   46.955   0.8026  2231.98   59.101  1990.49  126.546  2299.35   66.839   45.248   1.4407   48.663   0.7076 -3.415195 1.605115 
1 1 1  -15   21   17 o   31.523   0.9188  955.077   40.582  981.917  104.101  950.267   44.069   31.764   1.6883   31.282   0.7257 0.4821415 1.837670 
1 1 1  -15   21   18 o   28.623   0.9632  800.573   40.999  790.596   96.648  802.763   45.274   28.496   1.7472   28.750   0.8113 -0.2531490 1.926340 
1 1 1  -15   21   19 o   19.201   1.5833  365.015   40.791  352.614  108.389  367.061   44.028   18.969   2.9436   19.432   1.1672 -0.4631233 3.166536 
1 1 1  -15   21   20 o   18.328   1.4901  340.795   40.794  307.628   93.321  348.629   45.357   17.722   2.7127   18.934   1.2340 -1.212700 2.980228 
1 1 1  -15   21   21 o   44.233   0.9051  1925.19   62.551  1867.46  137.583  1940.23   70.229   43.777   1.6190   44.688   0.8096 -0.9111404 1.810155 
1 1 1  -15   21   22 o   22.484   1.2669  515.443   46.405  453.824   93.797  535.414   53.398   21.514   2.2460   23.454   1.1728 -1.940697 2.533786 
1 1 1  -15   21   23 o   14.065   2.0561  147.727   44.187  315.779  109.398  114.965   48.303   17.527   3.3373   10.602   2.4025 6.924784 4.112124 
1 1 1  -15   21   24 o   18.911   2.0434  359.642   69.452  364.871  118.177  356.883   85.840   18.805   3.3607   19.016   2.3254 -0.2106152 4.086758 
1 1 1  -15   21   25 f   15.785   2.3793  268.665   70.262  207.746  112.421  307.714   90.006   14.000   3.9596   17.569   2.6391 -3.568769 4.758515 
1 1 1  -15   21   26 o   23.493   1.6068  551.646   72.440  540.280  110.397  560.240   95.998   23.230   2.4482   23.756   2.0817 -0.5260067 3.213585 
1 1 1  -15   21   27 o   40.344   1.4722  1601.12  115.297   0.0000   0.0000  1601.12  115.297  ?   ?    40.344   1.4722      ?      ? 
1 1 1  -15   21   28 o   53.804   1.0911  2858.33  113.204  2884.01  170.473  2838.07  151.407   53.966   1.6273   53.642   1.4540 0.3239326 2.182292 
1 1 1  -15   21   29 o   18.071   2.5829  395.365   83.776  259.240  141.589  468.690  103.918   14.773   4.5177   21.368   2.5053 -6.595106 5.165846 
1 1 1  -15   21   30 o   8.7159   2.7112  -2.6337   86.022   64.690  142.269 -41.4311  108.001   10.057   4.2465   7.3751   3.3719 2.681494 5.422339 
1 1 1  -15   22    1 o  109.483   0.8828 11647.42  187.521 11820.80  262.098 11465.59  268.403  110.320   1.2239  108.646   1.2726 1.673294 1.765660 
1 1 1  -15   22    2 o  137.759   1.0377 18450.16  277.129 18700.20  383.650 18177.34  400.749  138.740   1.4245  136.779   1.5093 1.961212 2.075425 
1 1 1  -15   22    3 o   49.942   0.5816  2422.80   56.261  2440.59   77.187  2402.63   82.178   50.138   0.7931   49.745   0.8510 0.3925209 1.163267 
1 1 1  -15   22    4 o   28.350   0.6706  785.198   36.678  856.227   50.836  708.074   52.972   29.696   0.8819   27.003   1.0106 2.692625 1.341246 
1 1 1  -15   22    5 o   98.771   0.8275  9478.13  158.578  9594.94  221.649  9355.63  226.971   99.396   1.1488   98.146   1.1913 1.249641 1.654978 
1 1 1  -15   22    6 o  116.323   0.9273 13136.82  209.046 13019.88  287.077 13268.83  305.010  115.775   1.2774  116.871   1.3444 -1.096611 1.854511 
1 1 1  -15   22    7 o  140.973   1.0487 19321.38  286.349 19496.94  393.227 19123.18  417.809  141.660   1.4300  140.285   1.5343 1.375061 2.097337 
1 1 1  -15   22    8 o   69.950   0.6493  4750.02   88.120  4717.10  122.571  4785.24  126.776   69.700   0.9059   70.201   0.9303 -0.5007935 1.298531 
1 1 1  -15   22    9 o   65.158   0.7796  4160.21   93.248  4008.68  158.999  4239.66  115.125   64.239   1.2751   66.078   0.8975 -1.839050 1.559280 
1 1 1  -15   22   10 o  117.797   1.1228 13546.57  248.433 13252.94  404.041 13725.07  315.019  116.743   1.7829  118.851   1.3654 -2.107224 2.245697 
1 1 1  -15   22   11 o   18.686   1.3568  354.422   31.951  320.542   89.937  359.316   34.180   18.137   2.5545   19.236   0.9154 -1.098867 2.713591 
1 1 1  -15   22   12 o   88.217   1.0910  7565.27  186.591  7551.68  270.725  7577.57  257.527   88.138   1.5823   88.296   1.5025 -0.1577454 2.182046 
1 1 1  -15   22   13 o  118.497   1.2691 13843.41  273.102 13122.36  473.454 14202.97  334.330  116.107   2.1007  120.888   1.4247 -4.780769 2.538222 
1 1 1  -15   22   14 o   68.341   0.8459  4615.61  100.614  4360.71  187.818  4718.19  119.153   66.979   1.4445   69.703   0.8806 -2.723610 1.691806 
1 1 1  -15   22   15 o   65.370   0.8271  4041.68   90.637  4371.18  185.484  3938.32  103.885   67.057   1.4249   63.683   0.8404 3.374451 1.654287 
1 1 1  -15   22   16 o   11.380   1.9361  148.173   30.099   83.216   91.794  155.997   31.860   10.092   3.6490   12.668   1.2956 -2.576453 3.872174 
1 1 1  -15   22   17 o   53.517   0.7592  2766.33   67.446  2814.68  138.000  2751.16   77.308   53.808   1.3212   53.227   0.7482 0.5816040 1.518348 
1 1 1  -15   22   18 o   60.700   0.8354  3632.15   85.933  3477.62  167.870  3687.03  100.034   59.789   1.4464   61.610   0.8364 -1.821301 1.670830 
1 1 1  -15   22   19 o   77.663   0.9369  5864.97  127.736  5867.72  238.551  5863.86  151.247   77.643   1.5828   77.683   1.0030 -0.4016876E-01 1.873789 
1 1 1  -15   22   20 o   6.2565   1.9457  -3.5766   36.695 -25.1331   86.326   1.1776   40.541   7.1786   3.1676   5.3345   2.2604 1.844137 3.891403 
1 1 1  -15   22   21 o   12.987   2.1435  201.167   41.646  101.608  110.237  217.742   44.979   11.026   3.9970   14.948   1.5501 -3.922060 4.287013 
1 1 1  -15   22   22 o   50.582   0.8799  2541.12   74.162  2394.11  147.887  2590.51   85.719   49.541   1.5378   51.622   0.8554 -2.081448 1.759709 
1 1 1  -15   22   23 o   13.692   2.0457  199.365   44.443  169.578   96.754  207.330   50.033   12.829   3.6884   14.555   1.7708 -1.725847 4.091464 
1 1 1  -15   22   24 o   30.013   1.2652  883.172   73.231  884.860  110.033  881.831   98.118   30.021   1.8882   30.004   1.6846 0.1639938E-01 2.530416 
1 1 1  -15   22   25 o   16.817   2.1761  291.494   67.011  284.968  109.386  295.414   84.782   16.422   3.5360   17.212   2.5375 -0.7907162 4.352241 
1 1 1  -15   22   26 o   28.727   1.3193  806.009   72.648  882.064  113.843  753.760   94.358   29.825   1.9664   27.629   1.7594 2.195780 2.638552 
1 1 1  -15   22   27 f   27.245   1.2757  736.969   67.310  772.474   93.729  699.158   96.724   27.947   1.7277   26.543   1.8773 1.403999 2.551311 
1 1 1  -15   22   28 o   16.724   3.0321  298.478   94.812   0.0000   0.0000  298.478   94.812  ?   ?    16.724   3.0321      ?      ? 
1 1 1  -15   22   29 o   12.022   2.8798  165.419   82.788   82.616  147.670  203.373   99.977   10.660   4.4004   13.383   3.7162 -2.723032 5.759650 
1 1 1  -15   22   30 o   15.845   2.8811  308.423   88.081  269.371  146.998  330.298  110.018   14.612   4.6246   17.079   3.4374 -2.467872 5.762159 
1 1 1  -15   23    1 o   48.077   0.5893  2242.72   54.702  2230.09   73.538  2258.37   81.846   47.927   0.7904   48.228   0.8742 -0.3013382 1.178606 
1 1 1  -15   23    2 o   98.803   0.8274  9476.91  158.577  9370.09  219.639  9593.21  229.189   98.223   1.1519   99.384   1.1880 -1.160530 1.654777 
1 1 1  -15   23    3 f   9.4783   1.7152   91.297   32.333  115.572   45.032   65.465   46.453   10.700   2.2399   8.2567   2.5981 2.443187 3.430399 
1 1 1  -15   23    4 o  121.121   0.9494 14240.79  222.902 14060.39  306.404 14443.59  324.869  120.309   1.3120  121.933   1.3725 -1.623604 1.898728 
1 1 1  -15   23    5 f   69.830   0.6645  4738.04   90.013  4892.26  126.553  4580.15  128.056   70.982   0.9185   68.679   0.9605 2.302864 1.328982 
1 1 1  -15   23    6 o   96.506   0.8159  9045.78  152.774  9057.16  212.936  9033.70  219.316   96.570   1.1359   96.443   1.1715 0.1271057 1.631764 
1 1 1  -15   23    7 f  111.212   0.9084 11997.17  195.678 11772.43  266.867 12258.51  287.773  110.090   1.2488  112.335   1.3197 -2.244728 1.816868 
1 1 1  -15   23    8 o   29.089   0.5761  822.566   32.464  883.940   45.958  761.444   45.864   30.173   0.7846   28.004   0.8437 2.169346 1.152166 
1 1 1  -15   23    9 o   27.123   0.5413  711.260   28.382  683.399   38.154  745.776   42.468   26.531   0.7408   27.715   0.7894 -1.183769 1.082577 
1 1 1  -15   23   10 o   69.856   0.8502  4695.56  105.115  4849.81  195.180  4632.54  124.753   70.644   1.4233   69.068   0.9305 1.576279 1.700454 
1 1 1  -15   23   11 o   94.220   1.1585  8634.63  211.780  8381.40  300.785  8883.58  298.235   92.847   1.6689   95.594   1.6072 -2.747047 2.316930 
1 1 1  -15   23   12 o   40.756   0.8273  1660.81   57.066  1516.67  110.307  1713.49   66.683   39.504   1.4385   42.008   0.8178 -2.503937 1.654662 
1 1 1  -15   23   13 o   37.768   0.7933  1440.28   40.852  1309.78  104.994  1463.56   44.346   36.708   1.4735   38.827   0.5884 -2.119396 1.586596 
1 1 1  -15   23   14 o   74.659   0.8882  5383.92  115.148  5488.59  219.966  5344.41  135.145   75.136   1.5081   74.181   0.9385 0.9554825 1.776317 
1 1 1  -15   23   15 o   27.030   1.0229  724.738   31.762  692.529  100.780  728.290   33.467   26.671   1.9466   27.388   0.6295 -0.7171783 2.045819 
1 1 1  -15   23   16 o   20.156   1.1646  389.522   30.221  403.149   85.873  387.595   32.287   20.336   2.1754   19.977   0.8326 0.3587112 2.329253 
1 1 1  -15   23   17 o   20.148   1.1934  377.293   31.853  419.902   89.062  371.044   34.109   20.751   2.2110   19.545   0.8990 1.206724 2.386764 
1 1 1  -15   23   18 o   13.234   2.0857  138.164   34.786  229.964  112.010  128.365   36.595   14.986   3.8346   11.483   1.6418 3.503004 4.171309 
1 1 1  -15   23   19 o   46.503   0.8096  2091.23   59.828  2121.32  130.094  2083.16   67.375   46.693   1.4353   46.312   0.7494 0.3805771 1.619174 
1 1 1  -15   23   20 o   49.511   0.8605  2496.56   68.658  2182.19  140.788  2594.66   78.644   47.340   1.5321   51.682   0.7839 -4.342167 1.720954 
1 1 1  -15   23   21 o   81.105   0.9578  6439.02  138.830  6320.83  250.160  6491.62  166.887   80.511   1.6007   81.700   1.0523 -1.188576 1.915574 
1 1 1  -15   23   22 o   21.717   1.4878  438.264   45.115  497.970  118.771  428.197   48.771   22.464   2.7237   20.970   1.1981 1.493967 2.975523 
1 1 1  -15   23   23 o   22.293   1.4513  497.167   45.713  474.762  113.572  501.499   49.937   21.896   2.6720   22.690   1.1338 -0.7934017 2.902592 
1 1 1  -15   23   24 f   53.687   0.9581  2819.71   99.622  2732.52  144.430  2898.83  137.592   52.881   1.4070   54.493   1.3007 -1.612148 1.916127 
1 1 1  -15   23   25 o   19.513   1.8961  387.042   66.211  563.589   98.493  241.480   89.434   23.848   2.1276   15.178   3.1390 8.669842 3.792103 
1 1 1  -15   23   26 f   34.651   1.1166  1185.44   74.906  1136.08  108.477  1230.43  103.559   33.938   1.6466   35.364   1.5085 -1.426643 2.233158 
1 1 1  -15   23   27 o   27.802   1.2875  767.987   69.372  792.508   96.477  741.735   99.823   28.283   1.7573   27.321   1.8822 0.9618835 2.575044 
1 1 1  -15   23   28 f   24.462   2.0789  601.779   98.718   0.0000   0.0000  601.779   98.718  ?   ?    24.462   2.0789      ?      ? 
1 1 1  -15   23   29 o   26.234   1.8713  740.611   88.387  630.324  149.032  800.452  109.778   24.309   3.1583   28.160   2.0083 -3.850670 3.742683 
1 1 1  -15   23   30 f   8.9141   2.7623   7.3333   87.436   77.526  148.386 -30.0024  108.220   10.313   4.3448   7.5150   3.4122 2.798260 5.524556 
1 1 1  -15   24    1 o   51.898   0.5975  2617.25   60.139  2677.05   83.866  2553.94   86.285   52.510   0.8228   51.287   0.8667 1.222538 1.195032 
1 1 1  -15   24    2 o  113.480   0.8991 12510.46  197.702 12534.55  271.715 12483.35  288.198  113.599   1.2322  113.362   1.3097 0.2377167 1.798187 
1 1 1  -15   24    3 o   66.384   0.6521  4280.00   83.919  4299.29  115.910  4258.73  121.658   66.542   0.8973   66.226   0.9463 0.3160858 1.304145 
1 1 1  -15   24    4 o  103.375   0.8564 10373.23  171.656 10254.49  236.541 10505.33  249.494  102.752   1.1859  103.998   1.2359 -1.246078 1.712813 
1 1 1  -15   24    5 o   50.367   0.7618  2471.93   65.504  2481.17   76.323  2446.11  127.628   50.553   0.7778   50.181   1.3102 0.3721313 1.523670 
1 1 1  -15   24    6 o   43.366   0.5559  1825.74   46.792  1819.71   65.588  1832.00   66.776   43.293   0.7804   43.439   0.7919 -0.1456680 1.111859 
1 1 1  -15   24    7 o   77.394   0.7018  5816.76  105.419  5820.01  147.676  5813.39  150.536   77.416   0.9827   77.371   1.0023 0.4486847E-01 1.403660 
1 1 1  -15   24    8 f   18.177   0.7327  322.060   25.554  261.905   35.618  385.865   36.682   16.421   1.1174   19.934   0.9480 -3.512764 1.465358 
1 1 1  -15   24    9 o  136.069   1.3540 17959.34  335.548 18157.75  588.231 17863.63  408.536  136.573   2.2188  135.566   1.5524 1.007462 2.707973 
1 1 1  -15   24   10 o   20.675   1.2243  392.831   30.619  445.545   95.591  386.804   32.322   21.391   2.3021   19.959   0.8343 1.431723 2.448624 
1 1 1  -15   24   11 o   55.292   0.8365  2980.58   87.197  2924.80  140.607  3015.44  111.152   54.864   1.3202   55.720   1.0276 -0.8558159 1.673042 
1 1 1  -15   24   12 o   89.982   1.0164  7902.07  165.668  7778.03  291.494  7961.25  201.348   89.435   1.6790   90.528   1.1458 -1.092735 2.032709 
1 1 1  -15   24   13 o   79.206   0.9155  6002.02  127.621  6319.57  240.291  5877.24  150.620   80.624   1.5354   77.789   0.9975 2.835068 1.830928 
1 1 1  -15   24   14 o   6.9384   1.6446   50.914   21.949 -113.1549   92.488   60.705   22.594   6.1127   2.8993   7.7641   1.5534 -1.651358 3.289258 
1 1 1  -15   24   15 o   51.564   0.7409  2566.28   61.531  2613.41  131.478  2553.07   69.627   51.852   1.3062   51.277   0.6995 0.5750656 1.481748 
1 1 1  -15   24   16 o   67.150   0.8240  4296.47   94.729  4563.86  186.919  4204.06  109.886   68.510   1.4055   65.791   0.8604 2.718369 1.647973 
1 1 1  -15   24   17 f   48.158   0.8211  2341.17   60.591  2113.26  134.243  2399.48   67.900   46.607   1.4838   49.708   0.7037 -3.100998 1.642207 
1 1 1  -15   24   18 o   78.971   0.9531  6115.73  132.102  5946.55  244.996  6185.08  156.857   78.160   1.6148   79.782   1.0128 -1.622299 1.906111 
1 1 1  -15   24   19 o   59.643   0.8062  3474.77   81.991  3423.89  159.844  3492.93   95.514   59.322   1.3881   59.964   0.8206 -0.6422234 1.612474 
1 1 1  -15   24   20 o   13.111   2.0717  233.058   39.372   56.552  111.781  258.057   42.067   9.9384   3.9239   16.284   1.3308 -6.345607 4.143399 
1 1 1  -15   24   21 o   50.899   0.7993  2542.33   68.271  2478.29  135.967  2563.92   78.944   50.434   1.3888   51.364   0.7918 -0.9304466 1.598649 
1 1 1  -15   24   22 o   51.818   0.8504  2624.22   72.263  2598.31  149.405  2632.14   82.563   51.603   1.4915   52.034   0.8174 -0.4315910 1.700813 
1 1 1  -15   24   23 o   43.878   0.9360  1926.77   62.508  1800.79  140.870  1957.66   69.752   42.889   1.6920   44.867   0.8009 -1.978676 1.871993 
1 1 1  -15   24   24 o   14.826   2.3466  255.639   65.433  133.083  114.296  315.389   79.805   11.798   4.0896   17.854   2.3027 -6.056425 4.693268 
1 1 1  -15   24   25 o   22.386   1.6279  502.940   67.973  485.095  111.697  513.435   85.660   21.984   2.6174   22.788   1.9364 -0.8037758 3.255826 
1 1 1  -15   24   26 o   20.303   1.7638  409.764   68.268  446.096  108.942  386.272   87.602   20.977   2.6754   19.629   2.2990 1.347382 3.527541 
1 1 1  -15   24   27 o   16.216   2.2857  282.173   69.805  253.527  105.504  304.476   93.094   15.191   3.6278   17.241   2.7816 -2.050385 4.571425 
1 1 1  -15   24   28 o   8.3421   3.5262   24.902   98.267   0.0000   0.0000   24.902   98.267  ?   ?    8.3421   3.5262      ?      ? 
1 1 1  -15   24   29 f   9.4301   2.7860   55.272   81.811   31.352  145.719   66.283   98.863   9.6534   4.1904   9.2067   3.6726 0.4467306 5.572026 
1 1 1  -15   25    1 o   66.997   0.6562  4340.93   85.058  4158.65  114.778  4562.99  126.682   65.443   0.9035   68.550   0.9520 -3.106087 1.312499 
1 1 1  -15   25    2 o   78.853   0.7199  6036.88  110.061  6012.48  151.831  6063.91  159.772   78.686   0.9940   79.020   1.0416 -0.3338928 1.439789 
1 1 1  -15   25    3 o   95.421   0.8080  8847.33  149.561  8962.91  208.400  8724.57  214.768   96.066   1.1175   94.777   1.1673 1.288620 1.616043 
1 1 1  -15   25    4 o   33.163   0.5953  1066.83   38.298  1042.73   52.957  1093.26   55.451   32.771   0.8325   33.555   0.8513 -0.7842560 1.190676 
1 1 1  -15   25    5 o  105.958   0.8880 10909.25  182.560 11034.79  255.360 10778.01  261.094  106.583   1.2342  105.332   1.2769 1.250397 1.775927 
1 1 1  -15   25    6 o  119.565   0.9580 13893.79  221.935 13958.36  304.986 13821.12  323.563  119.864   1.3108  119.266   1.3976 0.5986023 1.916078 
1 1 1  -15   25    7 o  117.856   0.9577 13493.14  218.765 13443.19  300.832 13549.20  318.701  117.628   1.3175  118.084   1.3904 -0.4559784 1.915436 
1 1 1  -15   25    8 o   62.562   0.6139  3800.34   74.557  3756.92  104.992  3844.50  105.893   62.201   0.8695   62.922   0.8670 -0.7209816 1.227896 
1 1 1  -15   25    9 o   88.853   1.0131  7614.81  161.910  7824.90  291.767  7521.33  194.627   89.711   1.6754   87.995   1.1394 1.716736 2.026152 
1 1 1  -15   25   10 o   51.219   0.7977  2482.54   67.758  2675.27  140.778  2424.44   77.300   52.469   1.3822   49.969   0.7969 2.500229 1.595463 
1 1 1  -15   25   11 o   53.574   1.3277  2788.97  138.072  2788.97  138.072   0.0000   0.0000   53.574   1.3277  ?   ?       ?      ? 
1 1 1  -15   25   12 o   81.784   1.5721  6503.10  249.576  6503.10  249.576   0.0000   0.0000   81.784   1.5721  ?   ?       ?      ? 
1 1 1  -15   25   13 o  109.648   1.9702 11702.71  419.356 11702.71  419.356   0.0000   0.0000  109.648   1.9702  ?   ?       ?      ? 
1 1 1  -15   25   14 o   87.951   1.0073  7458.01  160.693  7693.78  285.325  7348.49  194.467   88.935   1.6527   86.966   1.1519 1.969391 2.014565 
1 1 1  -15   25   15 o   73.692   0.8783  5313.34  114.707  5192.13  209.568  5365.18  137.062   73.066   1.4776   74.318   0.9501 -1.251793 1.756654 
1 1 1  -15   25   16 o   65.682   0.8445  4280.69   95.239  4003.29  181.176  4386.61  111.956   64.159   1.4547   67.204   0.8582 -3.044815 1.688984 
1 1 1  -15   25   17 o  102.335   1.1458 10251.16  211.433 10040.70  374.670 10349.50  256.109  101.503   1.9015  103.167   1.2788 -1.664124 2.291572 
1 1 1  -15   25   18 o   34.523   0.9338  1166.98   41.435  1148.64  116.507  1169.63   44.334   34.341   1.7477   34.706   0.6581 -0.3647003 1.867517 
1 1 1  -15   25   19 f   58.432   0.8389  3315.09   80.114  3329.32  167.085  3310.84   91.292   58.485   1.4717   58.380   0.8056 0.1043510 1.677785 
1 1 1  -15   25   20 o   81.042   0.9677  6474.65  139.589  6191.40  251.587  6600.63  167.783   79.693   1.6263   82.390   1.0491 -2.697357 1.935313 
1 1 1  -15   25   21 o   21.335   1.4834  442.038   40.780  451.171  115.108  440.728   43.608   21.387   2.7727   21.284   1.0555 0.1025677 2.966767 
1 1 1  -15   25   22 o   11.127   2.1401  100.103   38.573  180.924   93.241   83.416   42.368   13.212   3.5567   9.0422   2.3810 4.169895 4.280107 
1 1 1  -15   25   23 o   20.539   1.4192  373.230   41.952  479.664  109.324  354.850   45.430   22.003   2.5596   19.075   1.2269 2.927639 2.838443 
1 1 1  -15   25   24 o   38.695   1.0853  1446.74   77.363  1530.78  133.895  1404.63   94.785   39.473   1.7474   37.916   1.2878 1.556751 2.170687 
1 1 1  -15   25   25 o   19.995   2.0604  433.984   72.210  328.652  116.396  499.889   92.069   17.560   3.5369   22.430   2.1146 -4.869255 4.120815 
1 1 1  -15   25   26 o   34.354   1.2135  1155.64   79.841  1231.61  125.036  1103.34  103.747   35.257   1.8269   33.451   1.5977 1.806129 2.427025 
1 1 1  -15   25   27 o   24.789   1.5073  609.593   72.037  682.730  109.981  554.640   95.333   26.059   2.1742   23.519   2.0881 2.539793 3.014510 
1 1 1  -15   25   28 o   13.881   2.2686  216.757   63.989  304.700   87.540  115.850   93.770   17.191   2.6233   10.570   3.7019 6.620621 4.537139 
1 1 1  -15   25   29 o   7.1549   2.3816 -92.7645   85.172 -203.8789  147.742 -37.4553  104.236   6.9949   3.4039   7.3150   3.3320 -0.3201456 4.763283 
1 1 1  -15   26    1 o  134.904   1.0505 17683.95  274.967 17605.50  382.731 17767.63  395.297  134.597   1.4648  135.210   1.5061 -0.6135406 2.100966 
1 1 1  -15   26    2 o   64.263   0.6379  4008.53   79.520  3969.34  110.194  4051.11  114.867   63.936   0.8879   64.590   0.9161 -0.6542702 1.275791 
1 1 1  -15   26    3 o   36.631   0.6070  1302.70   43.138  1295.97   59.935  1309.95   62.137   36.533   0.8451   36.729   0.8715 -0.1960678 1.213994 
1 1 1  -15   26    4 o   69.074   0.6599  4634.20   88.401  4655.67  122.591  4610.94  127.594   69.242   0.9121   68.907   0.9539 0.3349762 1.319765 
1 1 1  -15   26    5 o  211.996   1.3938 43731.11  573.393 44200.25  803.448 43244.15  818.564  213.162   1.9417  210.830   2.0001 2.332443 2.787592 
1 1 1  -15   26    6 o   78.398   0.7107  5969.53  108.113  5983.10  150.678  5955.13  155.212   78.491   0.9889   78.305   1.0211 0.1851883 1.421491 
1 1 1  -15   26    7 o   69.738   0.6710  4720.98   90.820  4588.89  127.068  4858.93  129.854   68.741   0.9523   70.735   0.9457 -1.993973 1.342072 
1 1 1  -15   26    8 o   39.755   0.5152  1531.32   39.675  1487.93   54.119  1581.72   58.336   39.148   0.7122   40.362   0.7446 -1.214378 1.030307 
1 1 1  -15   26    9 o   99.653   1.1157  9646.15  202.592  9675.42  354.124  9631.91  247.006   99.738   1.8291   99.567   1.2780 0.1709671 2.231310 
1 1 1  -15   26   10 o   18.934   1.9561  350.934   71.421  361.914   96.553  337.667  106.134   19.268   2.5814   18.600   2.9396 0.6685505 3.912109 
1 1 1  -15   26   11 o   7.6577   3.2828  -5.0467   87.277  -5.0467   87.277   0.0000   0.0000   7.6577   3.2828  ?   ?       ?      ? 
1 1 1  -15   26   12 o   21.952   1.9091  468.941   81.350  468.941   81.350   0.0000   0.0000   21.952   1.9091  ?   ?       ?      ? 
1 1 1  -15   26   13 o   85.123   1.6316  7047.44  269.603  7047.44  269.603   0.0000   0.0000   85.123   1.6316  ?   ?       ?      ? 
1 1 1  -15   26   14 o   68.939   1.4773  4621.61  197.690  4621.61  197.690   0.0000   0.0000   68.939   1.4773  ?   ?       ?      ? 
1 1 1  -15   26   15 o   42.510   1.3972  1757.09  115.295  1757.09  115.295   0.0000   0.0000   42.510   1.3972  ?   ?       ?      ? 
1 1 1  -15   26   16 o   36.073   0.9038  1248.49   37.016  1285.84  121.260  1244.66   38.872   36.342   1.7189   35.804   0.5593 0.5375061 1.807582 
1 1 1  -15   26   17 o   14.621   0.9462  207.707   26.856   0.0000   0.0000  207.707   26.856  ?   ?    14.621   0.9462      ?      ? 
1 1 1  -15   26   18 o   29.639   0.9751  871.055   35.212  833.590  104.553  875.848   37.397   29.245   1.8417   30.032   0.6415 -0.7867527 1.950197 
1 1 1  -15   26   19 o   49.717   0.8710  2418.35   64.542  2382.13  151.605  2426.37   71.329   49.454   1.5792   49.980   0.7352 -0.5262032 1.741994 
1 1 1  -15   26   20 o   55.715   0.9124  3006.80   96.828  3100.65  153.464  2944.73  124.807   56.418   1.4013   55.012   1.1687 1.406403 1.824703 
1 1 1  -15   26   21 o   49.902   0.8766  2463.81   67.654  2361.65  150.340  2489.76   75.757   49.191   1.5744   50.614   0.7711 -1.423405 1.753119 
1 1 1  -15   26   22 o   25.297   1.2404  610.160   40.490  648.715  115.279  604.734   43.245   25.661   2.3143   24.933   0.8935 0.7274437 2.480783 
1 1 1  -15   26   23 o   36.147   0.8876  1293.17   50.704  1243.28  109.495  1306.79   57.207   35.641   1.5826   36.653   0.8040 -1.012573 1.775160 
1 1 1  -15   26   24 o   16.872   1.9290  273.000   61.120  335.451  103.583  239.643   75.703   18.247   2.9243   15.497   2.5165 2.750697 3.858031 
1 1 1  -15   26   25 o   17.944   1.9311  324.141   66.106  335.376  104.179  316.569   85.531   18.139   2.9587   17.749   2.4825 0.3898983 3.862219 
1 1 1  -15   26   26 o   20.994   1.6325  438.084   65.482  466.727  103.359  418.880   84.634   21.510   2.4754   20.479   2.1290 1.031305 3.265007 
1 1 1  -15   26   27 o   12.705   2.6114  178.786   68.057  180.255   91.564  176.971  101.730   12.777   3.5594   12.633   3.8220 0.1443338 5.222761 
1 1 1  -15   26   28 o   19.449   1.8134  391.966   67.987  432.982   94.895  348.711   97.452   20.580   2.3753   18.317   2.7408 2.263821 3.626870 
1 1 1  -15   26   29 o   10.364   2.8621  102.827   84.732   46.504  140.958  134.693  106.027   9.6835   4.1621   11.044   3.9299 -1.360360 5.724293 
1 1 1  -15   27    1 o   83.681   0.7592  6797.54  123.258  6698.39  170.900  6905.03  177.938   83.046   1.0601   84.316   1.0872 -1.269714 1.518482 
1 1 1  -15   27    2 o   68.297   0.6713  4529.50   88.932  4523.12  123.434  4536.40  128.240   68.248   0.9317   68.346   0.9666 -0.9880829E-01 1.342532 
1 1 1  -15   27    3 o   62.150   0.6354  3750.98   76.631  3754.14  107.070  3747.66  109.725   62.178   0.8871   62.123   0.9099 0.5445862E-01 1.270754 
1 1 1  -15   27    4 o   45.793   0.5691  2035.54   50.585  1998.77   70.834  2073.80   72.262   45.371   0.8043   46.215   0.8055 -0.8437691 1.138274 
1 1 1  -15   27    5 o   39.556   0.8807  1475.54   53.701  1447.91   59.629  1594.15  123.540   38.616   0.7955   40.497   1.5715 -1.880619 1.761381 
1 1 1  -15   27    6 o  117.912   1.0176 13506.39  232.632 13610.42  338.026 13412.79  320.645  118.340   1.4715  117.484   1.4060 0.8555374 2.035201 
1 1 1  -15   27    7 o   60.397   0.6130  3541.88   71.859  3560.82  102.382  3523.49  100.882   60.556   0.8710   60.238   0.8627 0.3179626 1.225932 
1 1 1  -15   27    8 f  123.073   1.0876 14720.05  259.794 14554.22  363.240 14893.70  371.715  122.365   1.5292  123.781   1.5470 -1.416740 2.175256 
1 1 1  -15   27    9 f   70.272   0.8974  4775.13  113.371  4858.30  204.010  4737.97  136.366   70.699   1.4865   69.845   1.0058 0.8538208 1.794825 
1 1 1  -15   27   10 o   69.362   1.0419  4674.39  140.244  4755.99  201.492  4597.71  195.323   69.948   1.4839   68.776   1.4630 1.172394 2.083866 
1 1 1  -15   27   11 o  103.625   1.8828 10448.74  378.731 10448.74  378.731   0.0000   0.0000  103.625   1.8828  ?   ?       ?      ? 
1 1 1  -15   27   12 o   68.724   1.4035  4590.98  187.236  4590.98  187.236   0.0000   0.0000   68.724   1.4035  ?   ?       ?      ? 
1 1 1  -15   27   13 o   86.421   1.6392  7265.05  274.996  7265.05  274.996   0.0000   0.0000   86.421   1.6392  ?   ?       ?      ? 
1 1 1  -15   27   14 o  116.294   2.0899 13180.02  471.783 13180.02  471.783   0.0000   0.0000  116.294   2.0899  ?   ?       ?      ? 
1 1 1  -15   27   15 o   59.236   1.4588  3412.55  167.747  3412.55  167.747   0.0000   0.0000   59.236   1.4588  ?   ?       ?      ? 
1 1 1  -15   27   16 o   20.924   2.7507  428.550  111.725  428.550  111.725   0.0000   0.0000   20.924   2.7507  ?   ?       ?      ? 
1 1 1  -15   27   17 o   60.583   0.8339  3564.51   82.551  3574.42  172.174  3561.56   94.069   60.612   1.4633   60.554   0.8003 0.5752563E-01 1.667879 
1 1 1  -15   27   18 o   66.403   0.8516  4215.54   94.743  4431.10  192.733  4146.85  108.795   67.473   1.4715   65.333   0.8578 2.139900 1.703289 
1 1 1  -15   27   19 o   73.292   0.9224  5316.82  116.979  5029.20  220.432  5429.58  138.016   71.842   1.5806   74.741   0.9513 -2.898201 1.844800 
1 1 1  -15   27   20 o   43.682   0.8580  1898.15   55.481  1794.94  130.060  1921.10   61.342   42.897   1.5619   44.467   0.7107 -1.569393 1.715958 
1 1 1  -15   27   21 o   21.189   1.3561  412.234   36.830  477.466  107.863  403.625   39.185   22.010   2.5245   20.368   0.9911 1.641897 2.712111 
1 1 1  -15   27   22 o   16.474   2.0926  326.103   37.731  213.916  116.967  339.133   39.862   14.290   4.0379   18.658   1.1006 -4.368162 4.185230 
1 1 1  -15   27   23 o   17.776   1.5831  214.177   39.008  480.592  117.248  181.017   41.365   21.955   2.7511   13.597   1.5672 8.358107 3.166237 
1 1 1  -15   27   24 o   27.465   1.1498  716.348   43.475  778.206  115.098  706.054   46.953   28.012   2.1167   26.918   0.8986 1.093607 2.299516 
1 1 1  -15   27   25 o   17.268   2.0770  331.348   63.909  204.071   96.137  432.134   85.549   13.720   3.5740   20.816   2.1172 -7.096231 4.154033 
1 1 1  -15   27   26 o   11.398   2.5837  137.352   64.707  143.712   93.053  131.396   90.040   11.614   3.6798   11.183   3.6279 0.4309959 5.167493 
1 1 1  -15   27   27 o   35.859   1.1308  1279.29   78.427  1194.56  113.131  1357.68  108.819   34.672   1.6809   37.046   1.5132 -2.373280 2.261664 
1 1 1  -15   27   28 o   12.430   2.7351  174.436   74.708  128.948  105.523  220.150  105.784   11.019   3.9206   13.840   3.8147 -2.821724 5.470238 
1 1 1  -15   27   29 o   21.774   2.0301  495.404   82.150  544.813  139.844  469.370  101.511   22.324   3.2270   21.223   2.4640 1.101074 4.060145 
1 1 1  -15   28    1 o   79.122   0.7312  6082.71  112.239  6167.67  156.758  5993.33  160.779   79.690   1.0133   78.554   1.0544 1.136429 1.462393 
1 1 1  -15   28    2 o  112.558   0.9397 12315.10  205.212 12526.60  287.443 12095.25  293.066  113.546   1.3041  111.570   1.3532 1.976570 1.879306 
1 1 1  -15   28    3 o   51.452   0.5955  2567.36   59.420  2498.00   81.954  2644.25   86.277   50.721   0.8324   52.184   0.8517 -1.463154 1.190913 
1 1 1  -15   28    4 o   20.422   0.8509  407.345   33.549  437.353   46.312  374.205   48.668   21.219   1.1243   19.625   1.2775 1.593811 1.701791 
1 1 1  -15   28    5 o  118.657   1.0165 13681.76  233.829 13704.81  339.486 13660.96  322.533  118.748   1.4728  118.566   1.4014 0.1825790 2.032933 
1 1 1  -15   28    6 o   51.943   0.5847  2619.71   58.945  2610.29   82.631  2629.47   84.109   51.848   0.8210   52.038   0.8326 -0.1897850 1.169329 
1 1 1  -15   28    7 o   37.146   0.5227  1339.24   37.681  1321.49   52.576  1357.99   54.034   36.893   0.7341   37.399   0.7443 -0.5059242 1.045436 
1 1 1  -15   28    8 o   78.443   0.7372  5965.40  112.121  5753.74  154.058  6203.77  163.488   76.967   1.0311   79.919   1.0538 -2.952080 1.474373 
1 1 1  -15   28    9 o   20.068   2.1469  420.904   76.689  562.252  105.760  264.178  111.365   24.026   2.2676   16.110   3.6461 7.916254 4.293748 
1 1 1  -15   28   10 o   80.601   1.1257  6313.44  176.057  6437.34  253.136  6197.36  245.026   81.365   1.6027   79.836   1.5811 1.529076 2.251303 
1 1 1  -15   28   11 o   15.475   3.2934  243.130   95.894  243.130   95.894   0.0000   0.0000   15.475   3.2934  ?   ?       ?      ? 
1 1 1  -15   28   12 o   26.805   1.7828  699.183   92.766  699.183   92.766   0.0000   0.0000   26.805   1.7828  ?   ?       ?      ? 
1 1 1  -15   28   13 o   89.394   1.6918  7776.51  293.577  7776.51  293.577   0.0000   0.0000   89.394   1.6918  ?   ?       ?      ? 
1 1 1  -15   28   14 o   42.190   1.5501  1731.45  126.950  1731.45  126.950   0.0000   0.0000   42.190   1.5501  ?   ?       ?      ? 
1 1 1  -15   28   15 o   63.742   1.5123  3953.12  187.120  3953.12  187.120   0.0000   0.0000   63.742   1.5123  ?   ?       ?      ? 
1 1 1  -15   28   16 o   36.392   1.7604  1289.88  124.363  1289.88  124.363   0.0000   0.0000   36.392   1.7604  ?   ?       ?      ? 
1 1 1  -15   28   17 o   26.433   1.9754  681.373  101.361  681.373  101.361   0.0000   0.0000   26.433   1.9754  ?   ?       ?      ? 
1 1 1  -15   28   18 o   38.741   0.9377  1526.43   43.122  1377.90  129.907  1544.82   45.714   37.596   1.7800   39.886   0.5904 -2.289719 1.875394 
1 1 1  -15   28   19 o   26.422   1.0633  652.955   31.027  714.275  106.286  647.242   32.440   27.030   2.0257   25.814   0.6474 1.215698 2.126603 
1 1 1  -15   28   20 o   84.052   1.0032  6879.70  147.138  6902.88  277.615  6870.64  173.514   84.070   1.7011   84.033   1.0637 0.3724670E-01 2.006305 
1 1 1  -15   28   21 o   12.990   1.9421  196.676   32.407  129.073   93.065  206.004   34.571   11.441   3.6859   14.540   1.2249 -3.099031 3.884129 
1 1 1  -15   28   22 o   34.308   0.9637  1154.80   46.061  1141.02  117.659  1157.29   50.056   34.116   1.7767   34.500   0.7474 -0.3842888 1.927493 
1 1 1  -15   28   23 o   30.582   1.2606  888.398   65.850  984.937  131.460  856.061   76.084   31.568   2.1453   29.595   1.3243 1.972582 2.521113 
1 1 1  -15   28   24 o   14.048   2.2615  212.572   43.288  187.436  122.692  216.146   46.263   13.273   4.2275   14.823   1.6078 -1.549642 4.522953 
1 1 1  -15   28   25 o   16.076   2.3132  280.134   68.032  242.969  112.505  301.558   85.419   14.871   3.8626   17.281   2.5464 -2.409429 4.626430 
1 1 1  -15   28   26 o   16.995   2.2350  292.172   70.879  427.713  112.133  201.980   91.471   20.400   2.8316   13.589   3.4587 6.810975 4.469998 
1 1 1  -15   28   27 o   9.2727   2.4220   61.231   67.682 -67.2567  108.890  142.122   86.399   7.1488   3.3104   11.397   3.5363 -4.247869 4.844027 
1 1 1  -15   28   28 o   17.627   2.2901  341.021   75.338  357.185  110.676  327.064  102.843   17.992   3.2902   17.263   3.1864 0.7287617 4.580182 
1 1 1  -15   29    1 o   66.289   0.6687  4267.96   85.985  4280.22  119.398  4254.76  123.930   66.389   0.9265   66.190   0.9645 0.1992035 1.337423 
1 1 1  -15   29    2 o   49.304   0.6731  2358.13   63.026  2348.32   81.049  2373.13  100.243   49.177   0.8490   49.430   1.0447 -0.2533455 1.346206 
1 1 1  -15   29    3 o   29.145   0.6704  823.728   37.898  788.297   52.486  862.323   54.779   28.491   0.9490   29.798   0.9470 -1.307751 1.340700 
1 1 1  -15   29    4 o   58.643   0.6273  3339.21   71.402  3291.69  100.442  3387.76  101.523   58.221   0.8887   59.065   0.8855 -0.8436356 1.254538 
1 1 1  -15   29    5 o   19.542   0.7797  371.068   29.518  373.076   40.522  368.797   43.084   19.599   1.0651   19.485   1.1391 0.1137142 1.559498 
1 1 1  -15   29    6 o   39.038   0.5431  1479.44   41.151  1466.71   57.579  1492.72   58.833   38.866   0.7632   39.209   0.7730 -0.3428917 1.086246 
1 1 1  -15   29    7 o   59.136   0.6083  3391.78   69.722  3325.50   95.592  3467.12  101.915   58.521   0.8415   59.752   0.8787 -1.231873 1.216608 
1 1 1  -15   29    8 o   29.000   0.9884  723.679   33.306  702.749   34.875  940.750  112.314   26.904   0.6678   31.096   1.8606 -4.191940 1.976850 
1 1 1  -15   29    9 o   52.666   1.0297  2693.97  105.225  2799.04  151.217  2595.32  146.516   53.661   1.4517   51.671   1.4607 1.990192 2.059417 
1 1 1  -15   29   10 o   53.276   1.0464  2762.70  108.072  2910.07  152.177  2612.75  153.504   54.714   1.4328   51.839   1.5255 2.875744 2.092829 
1 1 1  -15   29   11 o   79.956   1.5841  6217.36  245.863  6217.36  245.863   0.0000   0.0000   79.956   1.5841  ?   ?       ?      ? 
1 1 1  -15   29   12 o   74.103   1.5296  5340.73  220.023  5340.73  220.023   0.0000   0.0000   74.103   1.5296  ?   ?       ?      ? 
1 1 1  -15   29   13 o   63.727   1.4822  3949.78  183.359  3949.78  183.359   0.0000   0.0000   63.727   1.4822  ?   ?       ?      ? 
1 1 1  -15   29   14 o   30.673   1.9677  916.582  117.159  916.582  117.159   0.0000   0.0000   30.673   1.9677  ?   ?       ?      ? 
1 1 1  -15   29   15 o   54.188   1.5193  2857.39  159.808  2857.39  159.808   0.0000   0.0000   54.188   1.5193  ?   ?       ?      ? 
1 1 1  -15   29   16 o   59.965   1.4422  3498.37  167.882  3498.37  167.882   0.0000   0.0000   59.965   1.4422  ?   ?       ?      ? 
1 1 1  -15   29   17 o   24.072   2.1332  565.703   99.677  565.703   99.677   0.0000   0.0000   24.072   2.1332  ?   ?       ?      ? 
1 1 1  -15   29   18 o   38.949   1.7525  1479.39  132.506  1479.39  132.506   0.0000   0.0000   38.949   1.7525  ?   ?       ?      ? 
1 1 1  -15   29   19 o   58.061   0.8098  3288.00   76.360  3266.54  160.230  3294.31   86.858   57.897   1.4257   58.225   0.7685 -0.3285675 1.619620 
1 1 1  -15   29   20 o   13.165   2.0814  227.985   27.689   87.656  115.532  236.537   28.520   10.735   4.0547   15.595   0.9421 -4.860299 4.162719 
1 1 1  -15   29   21 o   16.354   1.6074  158.537   31.075  431.033  117.036  137.869   32.232   20.823   2.8954   11.885   1.3971 8.938435 3.214815 
1 1 1  -15   29   22 o   7.9347   1.8172   68.569   32.106 -79.0779   94.589   87.795   34.132   6.5889   3.0629   9.2805   1.9563 -2.691630 3.634388 
1 1 1  -15   29   23 o   45.158   0.8601  2055.75   59.721  1888.18  132.146  2098.76   66.948   43.871   1.5517   46.444   0.7426 -2.572674 1.720228 
1 1 1  -15   29   24 o   32.199   1.0776  1066.17   48.093  952.863  120.141  1087.80   52.481   30.983   1.9976   33.416   0.8091 -2.432842 2.155223 
1 1 1  -15   29   25 o   12.007   2.5610  151.180   61.441  158.854  110.873  147.780   73.811   12.249   4.0284   11.764   3.1635 0.4841967 5.122046 
1 1 1  -15   29   26 o   9.0990   2.5140   63.225   65.082   27.709  103.203   86.675   83.858   8.6075   3.6247   9.5905   3.4846 -0.9829617 5.028016 
1 1 1  -15   29   27 o   8.8662   2.5526   47.273   69.262   74.574  102.461   24.301   93.988   9.5696   3.7636   8.1628   3.4494 1.406828 5.105163 
1 1 1  -15   29   28 f   10.167   2.5644   82.737   71.592 -10.6031   97.402  192.415  105.583   7.5033   3.3350   12.831   3.8964 -5.327709 5.128763 
1 1 1  -15   30    1 o   85.723   0.9094  7178.51  147.133  6973.02  235.905  7309.34  188.229   84.703   1.4347   86.744   1.1178 -2.041847 1.818812 
1 1 1  -15   30    2 o   56.461   0.6223  3096.38   68.183  3137.70   95.755  3053.88   97.109   56.843   0.8678   56.078   0.8921 0.7651634 1.244530 
1 1 1  -15   30    3 o   53.863   0.6104  2817.42   63.815  2796.25   90.523  2838.33   89.975   53.661   0.8690   54.064   0.8573 -0.4025383 1.220747 
1 1 1  -15   30    4 o   77.679   0.7348  5860.57  110.791  5971.20  157.124  5751.19  156.243   78.408   1.0323   76.949   1.0460 1.458786 1.469632 
1 1 1  -15   30    5 o   73.300   0.7061  5214.40  100.427  5384.10  144.361  5055.26  139.800   74.455   0.9988   72.145   0.9982 2.309479 1.412139 
1 1 1  -15   30    6 f   61.036   0.6307  3614.18   74.680  3524.47  103.300  3712.39  108.090   60.244   0.8833   61.829   0.9006 -1.584560 1.261488 
1 1 1  -15   30    7 o   53.034   0.7722  2750.96   71.517  2775.60   84.580  2689.16  133.952   53.464   0.8150   52.605   1.3118 0.8585281 1.544312 
1 1 1  -15   30    8 f   18.084   2.2993  350.633   75.213  467.610  101.115  205.743  112.534   21.905   2.3780   14.262   3.9360 7.642216 4.598581 
1 1 1  -15   30    9 o   44.909   1.0572  1961.12   92.105  1950.57  132.335  1971.02  128.272   44.790   1.5220   45.027   1.4675 -0.2369270 2.114302 
1 1 1  -15   30   10 o   77.553   1.1234  5838.89  168.928  5646.40  232.114  6055.67  246.319   76.198   1.5692   78.908   1.6081 -2.709343 2.246893 
1 1 1  -15   30   11 o   53.057   1.4141  2736.98  145.646  2736.98  145.646   0.0000   0.0000   53.057   1.4141  ?   ?       ?      ? 
1 1 1  -15   30   12 o  161.070   2.8212 25368.42  882.104 25368.42  882.104   0.0000   0.0000  161.070   2.8212  ?   ?       ?      ? 
1 1 1  -15   30   13 o   98.150   1.8373  9379.62  350.057  9379.62  350.057   0.0000   0.0000   98.150   1.8373  ?   ?       ?      ? 
1 1 1  -15   30   14 f   70.429   1.5485  4827.12  211.704  4827.12  211.704   0.0000   0.0000   70.429   1.5485  ?   ?       ?      ? 
1 1 1  -15   30   15 o   32.745   1.9365  1045.03  123.087  1045.03  123.087   0.0000   0.0000   32.745   1.9365  ?   ?       ?      ? 
1 1 1  -15   30   16 o   6.7375   3.1155 -78.2040   95.935 -78.2040   95.935   0.0000   0.0000   6.7375   3.1155  ?   ?       ?      ? 
1 1 1  -15   30   17 o   18.309   3.3796  340.552  115.693  340.552  115.693   0.0000   0.0000   18.309   3.3796  ?   ?       ?      ? 
1 1 1  -15   30   18 o   40.648   1.6261  1611.05  128.308  1611.05  128.308   0.0000   0.0000   40.648   1.6261  ?   ?       ?      ? 
1 1 1  -15   30   19 o   44.078   1.6380  1896.50  140.150  1896.50  140.150   0.0000   0.0000   44.078   1.6380  ?   ?       ?      ? 
1 1 1  -15   30   20 o   45.474   0.8094  1946.96   51.662  2111.92  133.905  1918.11   55.997   46.517   1.4829   44.431   0.6493 2.085506 1.618842 
1 1 1  -15   30   21 o   16.057   1.9137  227.396   28.065  301.993  118.468  222.960   28.887   16.980   3.6989   15.134   0.9833 1.845802 3.827391 
1 1 1  -15   30   22 o   13.395   2.1313  167.524   30.281  199.786  116.750  165.197   31.354   13.782   4.0777   13.009   1.2416 0.7725077 4.262511 
1 1 1  -15   30   23 f   47.569   0.8377  2298.19   62.029  2065.96  134.236  2361.23   69.944   45.880   1.5072   49.258   0.7315 -3.378189 1.675353 
1 1 1  -15   30   24 o   19.565   1.3918  381.123   37.897  379.056   96.574  381.499   41.202   19.374   2.5679   19.756   1.0744 -0.3822098 2.783627 
1 1 1  -15   30   25 o   32.662   1.0289  1074.70   63.189  935.011   98.659  1171.86   82.279   30.753   1.6526   34.571   1.2261 -3.817547 2.057789 
1 1 1  -15   30   26 o   31.414   1.1387  1007.59   66.441  862.197  106.182  1101.16   85.177   29.385   1.8615   33.444   1.3120 -4.059690 2.277395 
1 1 1  -15   30   27 o   13.677   2.4095  211.382   63.758  187.198   96.577  230.065   84.884   12.850   3.6823   14.503   3.1085 -1.653405 4.818942 
1 1 1  -15   30   28 o   22.749   1.7107  536.727   74.500  540.908  115.208  533.723   97.669   22.700   2.6145   22.797   2.2070 -0.9686470E-01 3.421455 
1 1 1  -15   31    1 o   19.103   0.9626  350.995   35.492  306.000   47.687  406.871   53.140   17.744   1.3845   20.462   1.3379 -2.717522 1.925273 
1 1 1  -15   31    2 f  112.685   1.1911 12320.51  242.636 12426.27  431.204 12271.51  293.513  112.998   1.9658  112.372   1.3456 0.6259079 2.382230 
1 1 1  -15   31    3 f   66.536   0.6818  4299.81   88.057  4323.09  124.018  4276.13  125.052   66.718   0.9576   66.354   0.9709 0.3639297 1.363655 
1 1 1  -15   31    4 f   52.061   0.5866  2632.98   59.255  2688.38   83.193  2575.94   84.420   52.617   0.8145   51.504   0.8444 1.112968 1.173198 
1 1 1  -15   31    5 o   39.236   0.5776  1493.19   43.942  1460.62   60.512  1529.53   63.915   38.784   0.8037   39.688   0.8296 -0.9036140 1.155113 
1 1 1  -15   31    6 o   40.350   0.5424  1579.38   42.456  1502.12   59.116  1661.68   61.013   39.332   0.7743   41.368   0.7598 -2.036572 1.084795 
1 1 1  -15   31    7 o   61.226   0.8701  3613.11   89.235  3584.79  102.663  3700.64  180.472   60.757   0.8705   61.696   1.5069 -0.9395027 1.740257 
1 1 1  -15   31    8 f   55.424   1.0180  2985.63  109.510  2924.26  153.742  3048.84  156.025   54.846   1.4440   56.003   1.4352 -1.156590 2.035962 
1 1 1  -15   31    9 o   58.901   1.0617  3370.39  121.327  3289.45  168.128  3458.33  175.258   58.165   1.4891   59.637   1.5139 -1.472576 2.123484 
1 1 1  -15   31   10 o   95.591   1.2761  8894.06  236.800  8911.88  335.560  8876.39  334.217   95.686   1.8066   95.496   1.8029 0.1901398 2.552294 
1 1 1  -15   31   11 o   99.218   1.8525  9585.35  356.790  9585.35  356.790   0.0000   0.0000   99.218   1.8525  ?   ?       ?      ? 
1 1 1  -15   31   12 f   57.874   1.5038  3257.69  168.938  3257.69  168.938   0.0000   0.0000   57.874   1.5038  ?   ?       ?      ? 
1 1 1  -15   31   13 o   61.231   1.5003  3647.72  178.323  3647.72  178.323   0.0000   0.0000   61.231   1.5003  ?   ?       ?      ? 
1 1 1  -15   31   14 o   62.646   1.4974  3818.61  182.096  3818.61  182.096   0.0000   0.0000   62.646   1.4974  ?   ?       ?      ? 
1 1 1  -15   31   15 o   79.408   1.6061  6138.69  247.568  6138.69  247.568   0.0000   0.0000   79.408   1.6061  ?   ?       ?      ? 
1 1 1  -15   31   16 o  106.200   1.9480 11000.75  401.587 11000.75  401.587   0.0000   0.0000  106.200   1.9480  ?   ?       ?      ? 
1 1 1  -15   31   17 o   34.650   1.9411  1172.15  130.564  1172.15  130.564   0.0000   0.0000   34.650   1.9411  ?   ?       ?      ? 
1 1 1  -15   31   18 o   12.299   3.7035  152.433   95.683  152.433   95.683   0.0000   0.0000   12.299   3.7035  ?   ?       ?      ? 
1 1 1  -15   31   19 o   61.103   1.5958  3645.04  189.288  3645.04  189.288   0.0000   0.0000   61.103   1.5958  ?   ?       ?      ? 
1 1 1  -15   31   20 o   36.492   0.8914  1366.91   38.580  1212.97  115.733  1386.16   40.920   35.210   1.6933   37.774   0.5581 -2.564507 1.782860 
1 1 1  -15   31   21 o   41.920   0.8261  1624.80   46.150  1838.07  128.563  1593.25   49.445   43.351   1.5277   40.489   0.6291 2.861618 1.652199 
1 1 1  -15   31   22 o   22.555   1.7632  678.013   34.202  343.632  117.160  709.163   35.760   18.105   3.4597   27.004   0.6822 -8.899260 3.526356 
1 1 1  -15   31   23 o   37.693   0.9819  1460.25   47.852  1303.74  129.933  1484.81   51.470   36.322   1.8428   39.065   0.6787 -2.742580 1.963841 
1 1 1  -15   31   24 f   12.103   2.1988  146.980   35.846  149.022  114.656  146.759   37.738   12.006   4.0988   12.200   1.5935 -0.1941071 4.397652 
1 1 1  -15   31   25 o   15.428   2.1400  219.707   54.800  333.302  113.812  185.424   62.525   17.531   3.4673   13.325   2.5092 4.205277 4.279966 
1 1 1  -15   31   26 o   11.634   2.4592  154.589   58.249  106.631  113.650  171.675   67.837   10.626   4.0196   12.641   2.8344 -2.015699 4.918452 
1 1 1  -15   31   27 o   8.6642   2.5265   40.222   63.699   74.055  116.720   25.872   76.017   9.7939   3.9611   7.5346   3.1375 2.259296 5.053098 
1 1 1  -15   31   28 o   10.025   2.5891   55.674   70.269  214.063  119.861 -27.2711   86.738   13.279   4.1726   6.7705   3.0665 6.508913 5.178236 
1 1 1  -15   32    1 o   76.318   0.7201  5655.90  106.668  5774.48  152.259  5541.60  149.482   77.103   1.0173   75.532   1.0195 1.570824 1.440235 
1 1 1  -15   32    2 o   39.599   0.6368  1515.75   48.829  1415.70   66.358  1633.90   72.110   38.180   0.8953   41.017   0.9057 -2.836735 1.273521 
1 1 1  -15   32    3 o   98.240   1.0687  9388.35  194.051  9364.93  329.063  9400.84  240.275   98.121   1.7276   98.359   1.2584 -0.2382813 2.137380 
1 1 1  -15   32    4 o   27.453   0.6725  731.774   35.661  636.845   49.549  833.790   51.366   25.606   0.9968   29.301   0.9031 -3.694939 1.345089 
1 1 1  -15   32    5 o   66.092   0.6676  4242.25   85.640  4215.62  120.338  4269.57  121.905   65.883   0.9409   66.302   0.9472 -0.4199219 1.335108 
1 1 1  -15   32    6 o   21.533   1.5338  503.290   36.450  515.914   38.452  391.488  114.430   23.049   0.8594   20.018   2.9448 3.031105 3.067681 
1 1 1  -15   32    7 o   41.704   0.8675  1637.49   52.921  1611.15   57.914  1770.84  130.284   40.734   0.7324   42.673   1.5728 -1.938839 1.734977 
1 1 1  -15   32    8 o   80.412   1.1438  6290.12  178.526  6391.00  252.081  6188.62  252.867   81.061   1.6020   79.764   1.6331 1.297050 2.287692 
1 1 1  -15   32    9 o   50.792   1.0829  2509.36  106.730  2519.89  149.242  2498.34  152.696   50.902   1.5104   50.681   1.5521 0.2210083 2.165705 
1 1 1  -15   32   10 o   81.232   1.1397  6401.98  179.359  6696.29  264.006  6149.70  244.426   82.957   1.6394   79.506   1.5837 3.451103 2.279467 
1 1 1  -15   32   11 o   69.424   1.5492  4688.33  208.773  4688.33  208.773   0.0000   0.0000   69.424   1.5492  ?   ?       ?      ? 
1 1 1  -15   32   12 o   27.519   2.2576  738.905  120.600  738.905  120.600   0.0000   0.0000   27.519   2.2576  ?   ?       ?      ? 
1 1 1  -15   32   13 o   35.503   1.8195  1227.94  125.394  1227.94  125.394   0.0000   0.0000   35.503   1.8195  ?   ?       ?      ? 
1 1 1  -15   32   14 o   12.144   4.0469  138.340  111.762  138.340  111.762   0.0000   0.0000   12.144   4.0469  ?   ?       ?      ? 
1 1 1  -15   32   15 o   87.155   1.6859  7398.90  285.233  7398.90  285.233   0.0000   0.0000   87.155   1.6859  ?   ?       ?      ? 
1 1 1  -15   32   16 o   32.910   2.0190  1057.33  128.984  1057.33  128.984   0.0000   0.0000   32.910   2.0190  ?   ?       ?      ? 
1 1 1  -15   32   17 o   27.134   2.1990  720.726  115.824  720.726  115.824   0.0000   0.0000   27.134   2.1990  ?   ?       ?      ? 
1 1 1  -15   32   18 o   40.681   1.6610  1615.70  131.163  1615.70  131.163   0.0000   0.0000   40.681   1.6610  ?   ?       ?      ? 
1 1 1  -15   32   19 o   44.918   1.6144  1971.18  140.766  1971.18  140.766   0.0000   0.0000   44.918   1.6144  ?   ?       ?      ? 
1 1 1  -15   32   20 o   15.057   4.0358  238.967  120.361  238.967  120.361   0.0000   0.0000   15.057   4.0358  ?   ?       ?      ? 
1 1 1  -15   32   21 o   9.6864   1.9924   76.005   22.539  104.779   95.842   74.320   23.189   10.652   3.7419   8.7214   1.3697 1.930161 3.984720 
1 1 1  -15   32   22 o   49.702   0.8155  2495.23   62.783  2275.38  137.317  2553.34   70.593   48.174   1.4684   51.230   0.7099 -3.055523 1.630992 
1 1 1  -15   32   23 o   14.972   1.8170  166.872   32.309  325.902  109.826  151.804   33.805   17.510   3.3533   12.435   1.4005 5.075243 3.633972 
1 1 1  -15   32   24 o   27.305   1.2266  717.343   39.264  763.567  124.347  712.224   41.381   27.575   2.3231   27.035   0.7885 0.5396004 2.453245 
1 1 1  -15   32   25 o   41.294   0.9297  1675.81   53.831  1679.86  136.621  1675.06   58.569   41.131   1.7112   41.457   0.7278 -0.3260002 1.859499 
1 1 1  -15   32   26 o   28.112   1.4073  864.602   65.414  650.318  122.371  950.331   77.401   25.168   2.5048   31.056   1.2839 -5.888260 2.814644 
1 1 1  -15   32   27 o   18.143   1.8382  322.029   60.049  403.269  111.855  289.134   71.176   19.462   2.9607   16.824   2.1795 2.638742 3.676384 
1 1 1  -15   33    1 o   79.406   0.8988  6146.26  132.288  6191.06  164.595  6064.52  222.329   79.831   1.0621   78.981   1.4501 0.8501053 1.797500 
1 1 1  -15   33    2 o   37.677   0.6423  1371.38   46.849  1267.14   63.618  1494.90   69.250   36.121   0.9073   39.233   0.9093 -3.112209 1.284539 
1 1 1  -15   33    3 o   19.545   0.9306  371.297   35.259  372.095   48.656  370.414   51.166   19.567   1.2810   19.522   1.3502 0.4564285E-01 1.861143 
1 1 1  -15   33    4 o   39.285   0.6346  1489.89   47.714  1550.93   74.617  1447.67   62.060   39.960   0.9619   38.610   0.8280 1.349560 1.269240 
1 1 1  -15   33    5 o   86.234   1.0291  7248.14  158.616  7277.24  190.467  7182.28  286.513   86.546   1.1337   85.922   1.7178 0.6231461 2.058197 
1 1 1  -15   33    6 o   39.371   0.9316  1507.32   52.698  1507.68   57.637  1505.51  130.116   39.404   0.7535   39.338   1.7039 0.6577682E-01 1.863116 
1 1 1  -15   33    7 o   66.419   0.8867  4302.80  103.354  4323.55  122.498  4251.52  192.544   66.717   0.9459   66.121   1.5001 0.5964279 1.773426 
1 1 1  -15   33    8 o   57.194   1.0649  3175.50  118.050  3077.93  161.692  3286.88  172.752   56.257   1.4806   58.131   1.5309 -1.874256 2.129771 
1 1 1  -15   33    9 o  104.772   1.3709 10691.85  278.824 10687.59  394.788 10696.09  393.846  104.751   1.9415  104.793   1.9361 -0.4264069E-01 2.741894 
1 1 1  -15   33   10 o   76.893   1.1371  5752.32  169.714  5756.97  241.198  5747.76  238.842   76.923   1.6153   76.863   1.6008 0.5992889E-01 2.274120 
1 1 1  -15   33   11 o   70.515   1.5776  4838.37  215.949  4838.37  215.949   0.0000   0.0000   70.515   1.5776  ?   ?       ?      ? 
1 1 1  -15   33   12 o   21.179   2.9870  439.771  122.806  439.771  122.806   0.0000   0.0000   21.179   2.9870  ?   ?       ?      ? 
1 1 1  -15   33   13 o   13.811   4.0792  191.618  116.928  191.618  116.928   0.0000   0.0000   13.811   4.0792  ?   ?       ?      ? 
1 1 1  -15   33   14 o   33.202   1.7479  1073.95  112.657  1073.95  112.657   0.0000   0.0000   33.202   1.7479  ?   ?       ?      ? 
1 1 1  -15   33   15 o   46.442   1.4855  2099.64  133.922  2099.64  133.922   0.0000   0.0000   46.442   1.4855  ?   ?       ?      ? 
1 1 1  -15   33   16 o   80.306   1.6706  6287.75  260.435  6287.75  260.435   0.0000   0.0000   80.306   1.6706  ?   ?       ?      ? 
1 1 1  -15   33   17 o   26.715   1.9984  698.283  103.637  698.283  103.637   0.0000   0.0000   26.715   1.9984  ?   ?       ?      ? 
1 1 1  -15   33   18 o   55.177   1.5997  2972.48  171.336  2972.48  171.336   0.0000   0.0000   55.177   1.5997  ?   ?       ?      ? 
1 1 1  -15   33   19 o   54.482   1.3774  2896.31  145.670  2896.31  145.670   0.0000   0.0000   54.482   1.3774  ?   ?       ?      ? 
1 1 1  -15   33   20 f   14.132   4.0620  209.611  117.360  209.611  117.360   0.0000   0.0000   14.132   4.0620  ?   ?       ?      ? 
1 1 1  -15   33   21 o   18.755   3.4722  367.682  121.755  367.682  121.755   0.0000   0.0000   18.755   3.4722  ?   ?       ?      ? 
1 1 1  -15   33   22 f   11.400   1.9097   87.558   24.489  204.245   95.088   79.269   25.344   13.812   3.5325   8.9885   1.4525 4.823414 3.819469 
1 1 1  -15   33   23 o   29.566   0.8890  870.786   36.384  836.654   92.881  876.973   39.545   29.116   1.6434   30.016   0.6787 -0.8999691 1.777985 
1 1 1  -15   33   24 o   14.820   1.9359  250.440   33.559  198.398   99.657  257.096   35.641   13.437   3.7022   16.203   1.1332 -2.765960 3.871774 
1 1 1  -15   33   25 o   24.238   1.2120  592.811   38.494  572.132  104.523  596.055   41.404   23.772   2.2650   24.704   0.8634 -0.9317741 2.424002 
1 1 1  -15   33   26 f   22.252   1.4458  485.080   59.193  548.223  103.912  454.748   72.021   23.171   2.3102   21.333   1.7391 1.837885 2.891666 
1 1 1  -15   33   27 o   9.9781   2.0735  104.503   56.726 -64.9640   95.865  195.810   70.367   6.5632   3.0618   13.393   2.7968 -6.829942 4.146939 
1 1 1  -15   34    1 o   91.271   0.8492  8096.10  150.453  8178.13  212.225  8013.21  213.324   91.737   1.1918   90.805   1.2102 0.9313889 1.698498 
1 1 1  -15   34    2 o  128.107   1.3690 16026.67  322.610 16129.32  397.904 15829.75  551.131  128.773   1.5918  127.441   2.2278 1.332176 2.738069 
1 1 1  -15   34    3 o   52.800   0.6164  2705.95   63.135  2851.31   90.401  2567.54   88.213   54.184   0.8595   51.416   0.8838 2.767761 1.232833 
1 1 1  -15   34    4 o   36.400   1.0467  1292.24   54.536  1294.09   59.611  1282.74  135.069   36.503   0.8413   36.297   1.9170 0.2064514 2.093463 
1 1 1  -15   34    5 o   18.299   1.7024  296.814   42.931  285.404   46.120  370.867  117.498   17.133   1.3867   19.465   3.1097 -2.331388 3.404841 
1 1 1  -15   34    6 o   37.904   0.9216  1434.94   51.305  1456.06   56.640  1338.41  121.093   38.722   0.7535   37.087   1.6820 1.635406 1.843109 
1 1 1  -15   34    7 o   79.186   0.9944  6024.48  139.405  5922.74  165.367  6274.35  259.161   78.073   1.0911   80.298   1.6626 -2.225075 1.988706 
1 1 1  -15   34    8 o   27.712   1.5018  747.979   80.748  763.925  116.377  733.175  112.131   27.995   2.1415   27.428   2.1060 0.5673199 3.003553 
1 1 1  -15   34    9 o   62.757   1.0877  3830.52  132.478  3951.78  188.524  3712.22  186.202   63.740   1.5237   61.775   1.5528 1.964710 2.175472 
1 1 1  -15   34   10 o   88.750   1.7476  7669.05  301.071  7669.05  301.071   0.0000   0.0000   88.750   1.7476  ?   ?       ?      ? 
1 1 1  -15   34   11 o   75.655   1.6145  5571.78  237.105  5571.78  237.105   0.0000   0.0000   75.655   1.6145  ?   ?       ?      ? 
1 1 1  -15   34   12 o   77.913   1.6445  5909.64  248.721  5909.64  248.721   0.0000   0.0000   77.913   1.6445  ?   ?       ?      ? 
1 1 1  -15   34   13 o   76.672   1.5989  5723.13  237.965  5723.13  237.965   0.0000   0.0000   76.672   1.5989  ?   ?       ?      ? 
1 1 1  -15   34   14 o   24.125   2.1962  568.462  102.849  568.462  102.849   0.0000   0.0000   24.125   2.1962  ?   ?       ?      ? 
1 1 1  -15   34   15 o   19.360   3.1544  369.257  118.545  369.257  118.545   0.0000   0.0000   19.360   3.1544  ?   ?       ?      ? 
1 1 1  -15   34   16 o   33.726   1.9204  1111.62  125.727  1111.62  125.727   0.0000   0.0000   33.726   1.9204  ?   ?       ?      ? 
1 1 1  -15   34   17 o   28.393   1.9405  788.834  106.953  788.834  106.953   0.0000   0.0000   28.393   1.9405  ?   ?       ?      ? 
1 1 1  -15   34   18 o   39.842   1.7741  1553.09  137.209  1553.09  137.209   0.0000   0.0000   39.842   1.7741  ?   ?       ?      ? 
1 1 1  -15   34   19 o   7.2609   3.3690 -91.1493  113.600 -91.1493  113.600   0.0000   0.0000   7.2609   3.3690  ?   ?       ?      ? 
1 1 1  -15   34   20 f   41.112   1.6351  1656.02  130.489  1656.02  130.489   0.0000   0.0000   41.112   1.6351  ?   ?       ?      ? 
1 1 1  -15   34   21 o   23.303   2.6569  544.173  120.188  544.173  120.188   0.0000   0.0000   23.303   2.6569  ?   ?       ?      ? 
1 1 1  -15   34   22 o   18.486   1.5563  292.512   21.663  398.336  116.601  288.728   22.047   19.746   3.0420   17.226   0.6593 2.519478 3.112652 
1 1 1  -15   34   23 o   27.098   1.1844  716.105   33.125  736.051  119.756  714.453   34.470   27.101   2.2764   27.095   0.6554 0.5949020E-02 2.368878 
1 1 1  -15   34   24 o   16.250   1.7432  231.306   31.903  327.931  107.481  221.971   33.409   17.452   3.2934   15.048   1.1437 2.403513 3.486333 
1 1 1  -15   34   25 o   20.107   1.5496  442.218   36.403  366.365  107.438  452.056   38.692   18.715   2.9573   21.499   0.9271 -2.784380 3.099259 
1 1 1  -15   34   26 f   9.1961   2.4795   69.785   54.224   98.641  111.396   60.825   62.074   10.255   3.9548   8.1376   2.9917 2.117100 4.958921 
1 1 1  -15   34   27 o   12.000   3.0376  161.005   70.823   0.0000   0.0000  161.005   70.823  ?   ?    12.000   3.0376      ?      ? 
1 1 1  -15   35    1 o   25.545   0.8126  635.636   40.182  609.604   58.296  659.197   55.461   25.045   1.1991   26.046   1.0969 -1.001646 1.625156 
1 1 1  -15   35    2 o   57.556   0.6510  3216.59   72.637  3194.89  100.086  3240.73  105.581   57.352   0.8990   57.760   0.9417 -0.4078712 1.301900 
1 1 1  -15   35    3 o   20.535   1.2752  409.914   50.831  409.914   50.831   0.0000   0.0000   20.535   1.2752  ?   ?       ?      ? 
1 1 1  -15   35    4 o   41.185   0.9479  1605.07   59.432  1579.06   65.775  1720.75  138.711   40.322   0.8403   42.049   1.6994 -1.727345 1.895800 
1 1 1  -15   35    5 o   77.904   0.9730  5934.24  133.329  5980.42  158.394  5821.95  246.966   78.456   1.0400   77.351   1.6448 1.105217 1.946004 
1 1 1  -15   35    6 o   18.246   2.0957  383.647   39.182  395.089   41.157  272.917  128.033   20.165   1.0514   16.327   4.0574 3.838007 4.191431 
1 1 1  -15   35    7 o   9.5168   2.6384   30.676   76.291 -47.5979  107.312  110.664  108.482   7.7341   3.4646   11.299   3.9801 -3.565345 5.276754 
1 1 1  -15   35    8 o   20.611   2.0894  415.411   83.556  403.769  115.980  427.975  120.480   20.312   2.9415   20.910   2.9682 -0.5983963 4.178879 
1 1 1  -15   35    9 f   70.695   1.1363  4865.76  155.857  4917.29  217.539  4811.40  223.407   71.083   1.5765   70.306   1.6370 0.7768860 2.272691 
1 1 1  -15   35   10 o   18.538   3.5311  349.124  122.432  349.124  122.432   0.0000   0.0000   18.538   3.5311  ?   ?       ?      ? 
1 1 1  -15   35   11 o   79.037   1.6476  6081.41  252.778  6081.41  252.778   0.0000   0.0000   79.037   1.6476  ?   ?       ?      ? 
1 1 1  -15   35   12 o   95.715   1.8331  8927.54  340.595  8927.54  340.595   0.0000   0.0000   95.715   1.8331  ?   ?       ?      ? 
1 1 1  -15   35   13 o   65.768   1.4948  4210.24  190.842  4210.24  190.842   0.0000   0.0000   65.768   1.4948  ?   ?       ?      ? 
1 1 1  -15   35   14 o   50.966   1.4801  2529.09  146.434  2529.09  146.434   0.0000   0.0000   50.966   1.4801  ?   ?       ?      ? 
1 1 1  -15   35   15 o   39.237   1.8189  1502.91  138.537  1502.91  138.537   0.0000   0.0000   39.237   1.8189  ?   ?       ?      ? 
1 1 1  -15   35   16 o   24.182   2.3141  573.922  108.631  573.922  108.631   0.0000   0.0000   24.182   2.3141  ?   ?       ?      ? 
1 1 1  -15   35   17 o   25.162   2.6053  624.436  127.252  624.436  127.252   0.0000   0.0000   25.162   2.6053  ?   ?       ?      ? 
1 1 1  -15   35   18 o   41.055   1.5693  1647.39  125.065  1647.39  125.065   0.0000   0.0000   41.055   1.5693  ?   ?       ?      ? 
1 1 1  -15   35   19 o   38.994   1.8754  1492.80  141.958  1492.80  141.958   0.0000   0.0000   38.994   1.8754  ?   ?       ?      ? 
1 1 1  -15   35   20 o   17.615   3.2162  322.180  105.922  322.180  105.922   0.0000   0.0000   17.615   3.2162  ?   ?       ?      ? 
1 1 1  -15   35   21 o   22.533   2.3704  506.870  103.680  506.870  103.680   0.0000   0.0000   22.533   2.3704  ?   ?       ?      ? 
1 1 1  -15   35   22 o   20.100   2.9076  412.609  113.447  412.609  113.447   0.0000   0.0000   20.100   2.9076  ?   ?       ?      ? 
1 1 1  -15   35   23 o   7.5189   1.8784   56.022   23.620 -88.5339  116.366   62.234   24.122   7.2428   3.3770   7.7951   1.6458 -0.5522928 3.756725 
1 1 1  -15   35   24 o   27.281   1.2202  711.071   35.920  775.517  125.232  705.294   37.496   27.661   2.3323   26.900   0.7181 0.7604675 2.440342 
1 1 1  -15   35   25 o   38.469   0.9653  1336.99   47.940  1636.98  140.698  1297.59   50.991   40.463   1.7913   36.475   0.7202 3.988331 1.930615 
1 1 1  -15   35   26 o   8.0537   2.2576   46.721   55.112 -81.1686  116.769   83.374   62.513   7.1528   3.3506   8.9545   3.0267 -1.801713 4.515255 
1 1 1  -15   36    1 o   52.974   0.8397  2684.77   79.735  2837.39  145.540  2619.31   95.311   54.020   1.3879   51.927   0.9455 2.092598 1.679389 
1 1 1  -15   36    2 f   59.136   0.9033  3467.39   91.011  3544.95  106.455  3256.71  175.444   60.412   0.9078   57.861   1.5620 2.551212 1.806653 
1 1 1  -15   36    3 o   35.012   1.0171  1150.49   54.247  1126.11   59.982  1260.01  127.131   34.049   0.9075   35.975   1.8205 -1.926205 2.034118 
1 1 1  -15   36    4 o   39.238   0.8508  1495.33   64.805  1495.33   64.805   0.0000   0.0000   39.238   0.8508  ?   ?       ?      ? 
1 1 1  -15   36    5 o   31.868   1.1918  977.017   47.918  973.485   51.041  1003.25  139.111   31.660   0.8305   32.076   2.2342 -0.4158840 2.383564 
1 1 1  -15   36    6 o   83.377   1.0065  6825.99  150.205  6933.21  181.122  6589.83  268.797   84.468   1.1046   82.286   1.6828 2.182556 2.012973 
1 1 1  -15   36    7 o   92.342   1.2807  8304.94  229.550  8379.27  324.139  8230.15  325.128   92.758   1.8002   91.925   1.8220 0.8328247 2.561334 
1 1 1  -15   36    8 o   79.884   1.1816  6212.47  183.109  6196.23  254.234  6229.97  263.949   79.780   1.6416   79.988   1.6999 -0.2082443 2.363196 
1 1 1  -15   36    9 o   49.037   1.1080  2337.19  105.393  2452.07  152.185  2231.31  146.097   50.194   1.5619   47.881   1.5719 2.313534 2.215921 
1 1 1  -15   36   10 o  106.572   1.9752 11071.64  408.618 11071.64  408.618   0.0000   0.0000  106.572   1.9752  ?   ?       ?      ? 
1 1 1  -15   36   11 f   46.773   1.6187  2129.99  146.966  2129.99  146.966   0.0000   0.0000   46.773   1.6187  ?   ?       ?      ? 
1 1 1  -15   36   12 o   58.753   1.4721  3359.67  167.888  3359.67  167.888   0.0000   0.0000   58.753   1.4721  ?   ?       ?      ? 
1 1 1  -15   36   13 o   48.049   1.4613  2247.52  136.295  2247.52  136.295   0.0000   0.0000   48.049   1.4613  ?   ?       ?      ? 
1 1 1  -15   36   14 o   38.897   1.8046  1476.50  136.256  1476.50  136.256   0.0000   0.0000   38.897   1.8046  ?   ?       ?      ? 
1 1 1  -15   36   15 o   86.357   1.7305  7281.72  290.093  7281.72  290.093   0.0000   0.0000   86.357   1.7305  ?   ?       ?      ? 
1 1 1  -15   36   16 o   26.452   2.1719  686.396  111.522  686.396  111.522   0.0000   0.0000   26.452   2.1719  ?   ?       ?      ? 
1 1 1  -15   36   17 f   21.433   3.0517  456.906  126.966  456.906  126.966   0.0000   0.0000   21.433   3.0517  ?   ?       ?      ? 
1 1 1  -15   36   18 o   15.701   3.5983  258.129  107.321  258.129  107.321   0.0000   0.0000   15.701   3.5983  ?   ?       ?      ? 
1 1 1  -15   36   19 o   60.726   1.5804  3611.24  186.298  3611.24  186.298   0.0000   0.0000   60.726   1.5804  ?   ?       ?      ? 
1 1 1  -15   36   20 f   26.390   2.4707  694.957  126.565  694.957  126.565   0.0000   0.0000   26.390   2.4707  ?   ?       ?      ? 
1 1 1  -15   36   21 o   11.946   3.9197  148.273  104.995  148.273  104.995   0.0000   0.0000   11.946   3.9197  ?   ?       ?      ? 
1 1 1  -15   36   22 o   28.915   1.6606  825.498   93.207  825.498   93.207   0.0000   0.0000   28.915   1.6606  ?   ?       ?      ? 
1 1 1  -15   36   23 f   18.048   1.6660  351.149   21.535  312.643  104.589  352.854   22.007   17.054   3.2784   19.042   0.5954 -1.987972 3.332015 
1 1 1  -15   36   24 o   12.078   1.9686  204.563   28.081   56.328  108.750  215.152   29.066   9.3332   3.8054   14.823   1.0101 -5.490074 3.937234 
1 1 1  -15   36   25 o   13.668   2.0714  178.136   32.937  230.470  111.149  173.098   34.485   14.101   3.9193   13.236   1.3422 0.8655005 4.142807 
1 1 1  -15   36   26 o   12.947   1.4279  166.699   35.887   0.0000   0.0000  166.699   35.887  ?   ?    12.947   1.4279      ?      ? 
1 1 1  -15   37    1 o   32.867   1.1168  1083.93   55.953  1105.08   62.514  998.716  125.462   33.726   0.9549   32.008   2.0192 1.718143 2.233620 
1 1 1  -15   37    2 o   25.909   1.4135  642.602   52.138  637.206   56.786  671.573  131.584   25.605   1.1425   26.213   2.5860 -0.6078472 2.827095 
1 1 1  -15   37    3 o   51.539   0.9379  2620.69   78.582  2652.98   89.657  2513.67  163.223   52.260   0.8838   50.818   1.6546 1.442444 1.875862 
1 1 1  -15   37    4 o   49.062   0.9001  2320.14   71.021  2304.50   80.290  2376.38  152.266   48.708   0.8492   49.415   1.5874 -0.7066917 1.800226 
1 1 1  -15   37    5 o   48.895   0.8108  2322.10   76.961  2322.10   76.961   0.0000   0.0000   48.895   0.8108  ?   ?       ?      ? 
1 1 1  -15   37    6 o   72.650   0.9775  5199.37  121.409  5274.71  141.991  4994.52  234.133   73.679   0.9928   71.621   1.6841 2.057884 1.954916 
1 1 1  -15   37    7 o   43.639   1.1982  1837.56  100.603  1736.53  132.297  1976.08  154.911   42.236   1.6136   45.042   1.7717 -2.805569 2.396421 
1 1 1  -15   37    8 o   65.698   1.0938  4200.18  139.461  4081.35  196.323  4321.22  198.144   64.758   1.5617   66.637   1.5318 -1.879189 2.187558 
1 1 1  -15   37    9 o   54.130   1.0992  2850.49  115.474  2792.62  161.335  2911.27  165.348   53.567   1.5516   54.692   1.5574 -1.125530 2.198387 
1 1 1  -15   37   10 o   39.042   1.7641  1484.97  133.694  1484.97  133.694   0.0000   0.0000   39.042   1.7641  ?   ?       ?      ? 
1 1 1  -15   37   11 o  112.159   2.0530 12275.83  446.984 12275.83  446.984   0.0000   0.0000  112.159   2.0530  ?   ?       ?      ? 
1 1 1  -15   37   12 o   68.190   1.5078  4527.52  199.587  4527.52  199.587   0.0000   0.0000   68.190   1.5078  ?   ?       ?      ? 
1 1 1  -15   37   13 o   72.079   1.5736  5062.95  220.171  5062.95  220.171   0.0000   0.0000   72.079   1.5736  ?   ?       ?      ? 
1 1 1  -15   37   14 o   47.624   1.6516  2213.02  152.689  2213.02  152.689   0.0000   0.0000   47.624   1.6516  ?   ?       ?      ? 
1 1 1  -15   37   15 o   19.235   2.9315  365.855  109.459  365.855  109.459   0.0000   0.0000   19.235   2.9315  ?   ?       ?      ? 
1 1 1  -15   37   16 o   20.646   3.0172  423.210  120.921  423.210  120.921   0.0000   0.0000   20.646   3.0172  ?   ?       ?      ? 
1 1 1  -15   37   17 o   41.899   1.7177  1718.82  139.707  1718.82  139.707   0.0000   0.0000   41.899   1.7177  ?   ?       ?      ? 
1 1 1  -15   37   18 o   31.172   2.1973  958.402  132.959  958.402  132.959   0.0000   0.0000   31.172   2.1973  ?   ?       ?      ? 
1 1 1  -15   37   19 o   48.528   1.4924  2306.56  140.587  2306.56  140.587   0.0000   0.0000   48.528   1.4924  ?   ?       ?      ? 
1 1 1  -15   37   20 o   34.552   1.9267  1180.73  129.225  1180.73  129.225   0.0000   0.0000   34.552   1.9267  ?   ?       ?      ? 
1 1 1  -15   37   21 o   25.179   2.5581  640.199  125.034  640.199  125.034   0.0000   0.0000   25.179   2.5581  ?   ?       ?      ? 
1 1 1  -15   37   22 o   19.282   2.9580  381.841  110.716  381.841  110.716   0.0000   0.0000   19.282   2.9580  ?   ?       ?      ? 
1 1 1  -15   37   23 o   21.902   2.4839  488.537  105.601  488.537  105.601   0.0000   0.0000   21.902   2.4839  ?   ?       ?      ? 
1 1 1  -15   37   24 o   35.186   0.8627  1134.35   37.441  1331.10  114.818  1110.94   39.606   36.596   1.6163   33.775   0.6041 2.820747 1.725457 
1 1 1  -15   37   25 o   7.5057   2.0924   37.308   29.475   54.963   97.140   35.518   30.933   8.8653   3.6036   6.1461   2.1277 2.719162 4.184829 
1 1 1  -15   38    1 o   45.554   0.9962  2113.99   71.315  2187.11   80.815  1856.67  151.601   47.449   0.8774   43.659   1.7888 3.790737 1.992417 
1 1 1  -15   38    2 o   24.068   1.4351  558.860   51.518  555.528   56.823  574.248  122.107   23.904   1.2246   24.232   2.5959 -0.3278980 2.870263 
1 1 1  -15   38    3 o   47.004   0.9040  2123.77   69.196  2103.55   78.574  2193.62  146.054   46.534   0.8698   47.473   1.5849 -0.9387970 1.807904 
1 1 1  -15   38    4 o   17.814   2.2676  444.629   44.092  478.477   46.756  172.725  132.520   22.188   1.0856   13.439   4.4033 8.748998 4.535180 
1 1 1  -15   38    5 o   56.701   0.9341  3165.15   84.407  3194.82   95.478  3059.00  180.593   57.349   0.8577   56.054   1.6597 1.295490 1.868206 
1 1 1  -15   38    6 o   45.027   0.7809  1969.15   68.255  1969.15   68.255   0.0000   0.0000   45.027   0.7809  ?   ?       ?      ? 
1 1 1  -15   38    7 o   69.964   1.0806  4763.34  146.748  4752.96  206.218  4773.98  208.874   69.887   1.5201   70.040   1.5363 -0.1524658 2.161196 
1 1 1  -15   38    8 o   64.623   1.1124  4055.42  139.163  3941.75  188.921  4190.27  205.770   63.640   1.5293   65.605   1.6158 -1.965034 2.224716 
1 1 1  -15   38    9 o   28.318   1.7156  776.296   93.795  710.840  124.977  860.711  141.926   26.968   2.3874   29.668   2.4644 -2.700209 3.431165 
1 1 1  -15   38   10 o   29.115   2.1397  827.686  120.932  827.686  120.932   0.0000   0.0000   29.115   2.1397  ?   ?       ?      ? 
1 1 1  -15   38   11 o   16.463   3.3700  276.721  104.075  276.721  104.075   0.0000   0.0000   16.463   3.3700  ?   ?       ?      ? 
1 1 1  -15   38   12 o   34.661   1.6307  1171.12  109.720  1171.12  109.720   0.0000   0.0000   34.661   1.6307  ?   ?       ?      ? 
1 1 1  -15   38   13 o   23.945   2.6863  564.213  124.867  564.213  124.867   0.0000   0.0000   23.945   2.6863  ?   ?       ?      ? 
1 1 1  -15   38   14 o   45.848   1.6576  2052.18  147.526  2052.18  147.526   0.0000   0.0000   45.848   1.6576  ?   ?       ?      ? 
1 1 1  -15   38   15 o   42.857   1.5685  1793.31  130.484  1793.31  130.484   0.0000   0.0000   42.857   1.5685  ?   ?       ?      ? 
1 1 1  -15   38   16 o   60.126   1.6178  3534.81  188.824  3534.81  188.824   0.0000   0.0000   60.126   1.6178  ?   ?       ?      ? 
1 1 1  -15   38   17 o   22.855   2.4491  516.762  108.655  516.762  108.655   0.0000   0.0000   22.855   2.4491  ?   ?       ?      ? 
1 1 1  -15   38   18 o   39.765   1.8382  1554.12  141.892  1554.12  141.892   0.0000   0.0000   39.765   1.8382  ?   ?       ?      ? 
1 1 1  -15   38   19 o   14.369   3.9394  222.303  113.164  222.303  113.164   0.0000   0.0000   14.369   3.9394  ?   ?       ?      ? 
1 1 1  -15   38   20 o   10.829   3.9067  110.418  105.133  110.418  105.133   0.0000   0.0000   10.829   3.9067  ?   ?       ?      ? 
1 1 1  -15   38   21 o   32.496   1.9684  1049.74  124.168  1049.74  124.168   0.0000   0.0000   32.496   1.9684  ?   ?       ?      ? 
1 1 1  -15   38   22 o   23.385   2.6546  558.150  120.505  558.150  120.505   0.0000   0.0000   23.385   2.6546  ?   ?       ?      ? 
1 1 1  -15   38   23 o   36.639   1.8792  1342.41  133.656  1342.41  133.656   0.0000   0.0000   36.639   1.8792  ?   ?       ?      ? 
1 1 1  -15   38   24 o   12.494   4.1800  177.900  119.218  177.900  119.218   0.0000   0.0000   12.494   4.1800  ?   ?       ?      ? 
1 1 1  -15   38   25 o   14.972   1.0849  220.598   31.533   0.0000   0.0000  220.598   31.533  ?   ?    14.972   1.0849      ?      ? 
1 1 1  -15   39    1 o   44.388   0.9943  1895.91   71.619  1879.09   81.221  1954.66  151.848   43.978   0.9514   44.799   1.7461 -0.8209267 1.988515 
1 1 1  -15   39    2 o   26.246   1.5860  774.276   54.149  817.977   58.993  540.460  136.455   29.012   1.0475   23.479   2.9940 5.533686 3.171937 
1 1 1  -15   39    3 o   14.172   2.3685  185.112   47.816  179.791   51.323  220.101  131.602   13.581   1.9467   14.763   4.3184 -1.181303 4.736904 
1 1 1  -15   39    4 o   26.415   1.3081  652.574   46.232  642.609   49.616  718.240  127.369   25.717   0.9939   27.113   2.4200 -1.396427 2.616192 
1 1 1  -15   39    5 o   9.2911   2.1022   86.302   38.270   96.391   42.051   37.648   92.344   9.7433   2.2661   8.8389   3.5413 0.9044094 4.204338 
1 1 1  -15   39    6 o   99.452   1.1571  9738.57  207.812  9933.99  252.756  9330.88  365.079  101.069   1.2883   97.834   1.9223 3.234131 2.314118 
1 1 1  -15   39    7 f   56.655   1.4778  3123.78  162.530  3123.78  162.530   0.0000   0.0000   56.655   1.4778  ?   ?       ?      ? 
1 1 1  -15   39    8 o   56.890   1.1377  3141.28  124.286  3083.27  163.473  3220.75  191.328   56.282   1.4963   57.497   1.7142 -1.215458 2.275389 
1 1 1  -15   39    9 o   19.045   2.4376  375.621   85.885  489.981  119.829  254.819  123.158   22.354   2.7614   15.736   4.0178 6.618115 4.875288 
1 1 1  -15   39   10 f   91.397   1.7666  8144.65  313.428  8144.65  313.428   0.0000   0.0000   91.397   1.7666  ?   ?       ?      ? 
1 1 1  -15   39   11 o   74.267   1.5267  5374.00  220.093  5374.00  220.093   0.0000   0.0000   74.267   1.5267  ?   ?       ?      ? 
1 1 1  -15   39   12 o   48.180   1.6033  2264.10  149.950  2264.10  149.950   0.0000   0.0000   48.180   1.6033  ?   ?       ?      ? 
1 1 1  -15   39   13 o   7.6550   3.5353 -93.5630  122.963 -93.5630  122.963   0.0000   0.0000   7.6550   3.5353  ?   ?       ?      ? 
1 1 1  -15   39   14 o   27.342   2.1682  733.683  115.077  733.683  115.077   0.0000   0.0000   27.342   2.1682  ?   ?       ?      ? 
1 1 1  -15   39   15 o   39.296   1.7924  1511.94  136.726  1511.94  136.726   0.0000   0.0000   39.296   1.7924  ?   ?       ?      ? 
1 1 1  -15   39   16 o   36.180   1.9941  1286.27  140.049  1286.27  140.049   0.0000   0.0000   36.180   1.9941  ?   ?       ?      ? 
1 1 1  -15   39   17 o   12.857   4.1629  167.735  118.595  167.735  118.595   0.0000   0.0000   12.857   4.1629  ?   ?       ?      ? 
1 1 1  -15   39   18 o   27.409   2.0815  742.923  110.745  742.923  110.745   0.0000   0.0000   27.409   2.0815  ?   ?       ?      ? 
1 1 1  -15   39   19 o   48.469   1.6925  2314.54  159.237  2314.54  159.237   0.0000   0.0000   48.469   1.6925  ?   ?       ?      ? 
1 1 1  -15   39   20 o   20.917   2.8376  445.882  115.214  445.882  115.214   0.0000   0.0000   20.917   2.8376  ?   ?       ?      ? 
1 1 1  -15   39   21 o   10.593   3.5408  114.792   85.543  114.792   85.543   0.0000   0.0000   10.593   3.5408  ?   ?       ?      ? 
1 1 1  -15   39   22 o   24.000   2.3175  582.991  107.965  582.991  107.965   0.0000   0.0000   24.000   2.3175  ?   ?       ?      ? 
1 1 1  -15   39   23 o   10.810   4.0221  115.521  112.811  115.521  112.811   0.0000   0.0000   10.810   4.0221  ?   ?       ?      ? 
1 1 1  -15   39   24 o   15.710   3.8046  285.245  114.788  285.245  114.788   0.0000   0.0000   15.710   3.8046  ?   ?       ?      ? 
1 1 1  -15   39   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   40    1 o   59.485   0.9160  3419.39   94.092  3393.28  110.053  3490.34  181.406   59.094   0.9594   59.876   1.5607 -0.7825851 1.832027 
1 1 1  -15   40    2 o   34.569   0.9723  1193.89   57.313  1230.49   67.229  1096.52  109.646   35.585   0.9733   33.553   1.6834 2.032059 1.944520 
1 1 1  -15   40    3 o   11.066   2.1236  143.913   46.299  172.370   50.705   1.1620  113.564   13.295   1.9647   8.8374   3.7654 4.457294 4.247139 
1 1 1  -15   40    4 o   28.286   1.3459  841.766   49.609  865.680   53.592  698.594  131.130   29.849   0.9249   26.722   2.5279 3.126738 2.691809 
1 1 1  -15   40    5 o   25.650   1.3970  605.496   44.338  595.251   46.945  690.091  134.904   24.750   0.9771   26.550   2.6176 -1.800232 2.793994 
1 1 1  -15   40    6 o   18.733   1.9289  348.499   36.079  348.290   37.574  350.970  129.185   18.930   1.0225   18.535   3.7199 0.3957901 3.857854 
1 1 1  -15   40    7 o   54.877   1.0936  2940.07  115.606  2999.47  155.109  2865.83  173.398   55.514   1.4393   54.241   1.6469 1.273895 2.187204 
1 1 1  -15   40    8 o   81.835   1.1749  6511.08  186.278  6312.22  254.163  6741.87  273.805   80.494   1.6266   83.175   1.6958 -2.680946 2.349829 
1 1 1  -15   40    9 o   80.079   1.1424  6250.44  177.520  6309.74  248.585  6188.73  253.594   80.472   1.5913   79.687   1.6394 0.7848282 2.284738 
1 1 1  -15   40   10 o   17.639   3.5026  318.632  115.700  318.632  115.700   0.0000   0.0000   17.639   3.5026  ?   ?       ?      ? 
1 1 1  -15   40   11 o   13.570   3.9740  187.895  111.392  187.895  111.392   0.0000   0.0000   13.570   3.9740  ?   ?       ?      ? 
1 1 1  -15   40   12 o   41.868   1.7472  1712.46  142.003  1712.46  142.003   0.0000   0.0000   41.868   1.7472  ?   ?       ?      ? 
1 1 1  -15   40   13 o   41.366   1.7477  1672.73  140.339  1672.73  140.339   0.0000   0.0000   41.366   1.7477  ?   ?       ?      ? 
1 1 1  -15   40   14 o   52.666   1.5089  2708.50  154.255  2708.50  154.255   0.0000   0.0000   52.666   1.5089  ?   ?       ?      ? 
1 1 1  -15   40   15 o   52.357   1.6998  2684.07  172.753  2684.07  172.753   0.0000   0.0000   52.357   1.6998  ?   ?       ?      ? 
1 1 1  -15   40   16 o   19.312   2.8607  372.014  107.240  372.014  107.240   0.0000   0.0000   19.312   2.8607  ?   ?       ?      ? 
1 1 1  -15   40   17 o   15.407   4.2036  255.100  129.216  255.100  129.216   0.0000   0.0000   15.407   4.2036  ?   ?       ?      ? 
1 1 1  -15   40   18 o   22.393   2.4131  500.804  104.895  500.804  104.895   0.0000   0.0000   22.393   2.4131  ?   ?       ?      ? 
1 1 1  -15   40   19 o   34.836   1.9514  1204.50  131.964  1204.50  131.964   0.0000   0.0000   34.836   1.9514  ?   ?       ?      ? 
1 1 1  -15   40   20 o   23.209   2.8197  548.998  127.035  548.998  127.035   0.0000   0.0000   23.209   2.8197  ?   ?       ?      ? 
1 1 1  -15   40   21 o   13.720   4.0886  210.768  117.064  210.768  117.064   0.0000   0.0000   13.720   4.0886  ?   ?       ?      ? 
1 1 1  -15   40   22 o   18.497   2.8640  355.460  102.832  355.460  102.832   0.0000   0.0000   18.497   2.8640  ?   ?       ?      ? 
1 1 1  -15   40   23 o   8.1376   3.5189   11.544  101.972   11.544  101.972   0.0000   0.0000   8.1376   3.5189  ?   ?       ?      ? 
1 1 1  -15   40   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   41    1 o   27.538   1.3908  720.938   57.667  710.167   63.644  770.339  136.301   27.023   1.2133   28.053   2.5030 -1.030151 2.781544 
1 1 1  -15   41    2 o   18.806   1.8003  280.873   50.181  251.012   54.261  457.342  131.906   16.049   1.7417   21.563   3.1513 -5.514423 3.600577 
1 1 1  -15   41    3 o   49.743   0.9575  2389.90   74.570  2377.84   83.511  2437.33  165.642   49.471   0.8696   50.014   1.7061 -0.5425797 1.914975 
1 1 1  -15   41    4 o   51.821   0.9379  2698.25   78.778  2772.95   90.150  2456.93  162.031   53.423   0.8693   50.219   1.6621 3.204605 1.875744 
1 1 1  -15   41    5 o   23.834   1.3609  568.681   43.589  574.502   47.118  534.126  114.799   24.312   0.9984   23.355   2.5322 0.9573841 2.721875 
1 1 1  -15   41    6 o   28.536   0.9873  778.048   40.106  771.340   43.676  814.123  101.287   28.178   0.7985   28.894   1.8059 -0.7163200 1.974512 
1 1 1  -15   41    7 o   91.346   1.2437  8139.12  220.469  8262.52  309.747  8012.40  313.874   92.054   1.7334   90.638   1.7839 1.416260 2.487402 
1 1 1  -15   41    8 o   15.654   2.6997  253.352   78.913  257.356   98.215  246.057  132.552   15.858   3.2980   15.450   4.2751 0.4085340 5.399376 
1 1 1  -15   41    9 o   43.037   1.4770  1804.85  123.388  1804.85  123.388   0.0000   0.0000   43.037   1.4770  ?   ?       ?      ? 
1 1 1  -15   41   10 f   21.175   2.3289  439.938   95.728  439.938   95.728   0.0000   0.0000   21.175   2.3289  ?   ?       ?      ? 
1 1 1  -15   41   11 o   30.741   2.1430  926.305  127.883  926.305  127.883   0.0000   0.0000   30.741   2.1430  ?   ?       ?      ? 
1 1 1  -15   41   12 o   61.695   1.5883  3716.37  190.213  3716.37  190.213   0.0000   0.0000   61.695   1.5883  ?   ?       ?      ? 
1 1 1  -15   41   13 o   28.077   2.1062  774.168  114.792  774.168  114.792   0.0000   0.0000   28.077   2.1062  ?   ?       ?      ? 
1 1 1  -15   41   14 o   25.171   2.7077  628.514  132.299  628.514  132.299   0.0000   0.0000   25.171   2.7077  ?   ?       ?      ? 
1 1 1  -15   41   15 o   9.5080   4.0590   9.5257  132.432   9.5257  132.432   0.0000   0.0000   9.5080   4.0590  ?   ?       ?      ? 
1 1 1  -15   41   16 o   22.447   2.6256  501.966  114.407  501.966  114.407   0.0000   0.0000   22.447   2.6256  ?   ?       ?      ? 
1 1 1  -15   41   17 o   29.233   2.2010  848.472  124.901  848.472  124.901   0.0000   0.0000   29.233   2.2010  ?   ?       ?      ? 
1 1 1  -15   41   18 o   28.540   2.3608  815.103  130.790  815.103  130.790   0.0000   0.0000   28.540   2.3608  ?   ?       ?      ? 
1 1 1  -15   41   19 o   30.463   1.9000  921.004  112.359  921.004  112.359   0.0000   0.0000   30.463   1.9000  ?   ?       ?      ? 
1 1 1  -15   41   20 o   39.179   1.7556  1521.46  133.516  1521.46  133.516   0.0000   0.0000   39.179   1.7556  ?   ?       ?      ? 
1 1 1  -15   41   21 o   35.271   2.1125  1251.03  144.633  1251.03  144.633   0.0000   0.0000   35.271   2.1125  ?   ?       ?      ? 
1 1 1  -15   41   22 o   13.198   4.3472  200.208  129.102  200.208  129.102   0.0000   0.0000   13.198   4.3472  ?   ?       ?      ? 
1 1 1  -15   41   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   41   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   42    1 o   11.609   2.3597  136.996   54.024  143.368   65.464  123.393   95.655   11.843   2.8762   11.375   3.7417 0.4682732 4.719449 
1 1 1  -15   42    2 o   30.964   1.1934  987.394   58.466  1030.14   66.593  843.626  122.123   32.550   1.0539   29.377   2.1415 3.173229 2.386822 
1 1 1  -15   42    3 o   24.978   1.2647  513.610   49.302  458.995   54.126  779.685  119.469   21.718   1.2838   28.238   2.1795 -6.519989 2.529487 
1 1 1  -15   42    4 o   43.064   0.9919  1906.10   65.139  1974.23   73.119  1644.13  143.387   45.076   0.8357   41.053   1.7993 4.022774 1.983872 
1 1 1  -15   42    5 o   19.380   1.9797  411.745   43.140  422.144   45.825  330.725  127.905   20.833   1.1331   17.927   3.7937 2.905895 3.959338 
1 1 1  -15   42    6 o   33.342   1.1288  1079.35   35.975  1078.71   37.200  1088.69  141.355   33.328   0.5750   33.355   2.1831 -0.2719498E-01 2.257587 
1 1 1  -15   42    7 o   68.843   1.1000  4627.54  146.184  4692.68  197.438  4548.51  217.482   69.397   1.4656   68.289   1.6406 1.108093 2.199924 
1 1 1  -15   42    8 o   56.484   1.0789  3133.86  117.238  3333.03  158.912  2896.00  173.669   58.488   1.3997   54.479   1.6422 4.008595 2.157753 
1 1 1  -15   42    9 o   50.690   1.4015  2504.18  137.908  2504.18  137.908   0.0000   0.0000   50.690   1.4015  ?   ?       ?      ? 
1 1 1  -15   42   10 o   37.561   1.7024  1378.15  124.124  1378.15  124.124   0.0000   0.0000   37.561   1.7024  ?   ?       ?      ? 
1 1 1  -15   42   11 o   18.437   3.3456  348.490  115.329  348.490  115.329   0.0000   0.0000   18.437   3.3456  ?   ?       ?      ? 
1 1 1  -15   42   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   42   13 o   46.402   1.4932  2103.84  134.496  2103.84  134.496   0.0000   0.0000   46.402   1.4932  ?   ?       ?      ? 
1 1 1  -15   42   14 o   19.992   3.5929  415.066  134.306  415.066  134.306   0.0000   0.0000   19.992   3.5929  ?   ?       ?      ? 
1 1 1  -15   42   15 o   21.149   2.7709  446.538  113.758  446.538  113.758   0.0000   0.0000   21.149   2.7709  ?   ?       ?      ? 
1 1 1  -15   42   16 f   17.625   3.9562  333.871  132.034  333.871  132.034   0.0000   0.0000   17.625   3.9562  ?   ?       ?      ? 
1 1 1  -15   42   17 o   38.038   1.6759  1425.24  123.745  1425.24  123.745   0.0000   0.0000   38.038   1.6759  ?   ?       ?      ? 
1 1 1  -15   42   18 o   40.633   1.8379  1635.96  144.965  1635.96  144.965   0.0000   0.0000   40.633   1.8379  ?   ?       ?      ? 
1 1 1  -15   42   19 o   18.491   3.5384  368.021  122.380  368.021  122.380   0.0000   0.0000   18.491   3.5384  ?   ?       ?      ? 
1 1 1  -15   42   20 o   27.729   2.1137  771.762  113.773  771.762  113.773   0.0000   0.0000   27.729   2.1137  ?   ?       ?      ? 
1 1 1  -15   42   21 o   27.562   2.2551  769.965  120.654  769.965  120.654   0.0000   0.0000   27.562   2.2551  ?   ?       ?      ? 
1 1 1  -15   42   22 o   9.3687   3.9676   41.988  124.780   41.988  124.780   0.0000   0.0000   9.3687   3.9676  ?   ?       ?      ? 
1 1 1  -15   42   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   43    1 o   52.409   0.9771  2735.39   86.762  2801.73  101.255  2552.13  168.296   53.679   0.9717   51.138   1.6954 2.540768 1.954105 
1 1 1  -15   43    2 o   21.515   1.7045  436.178   52.657  427.751   57.343  481.516  133.005   20.954   1.4098   22.075   3.1039 -1.120806 3.409005 
1 1 1  -15   43    3 o   47.686   0.9874  2211.99   72.658  2209.98   81.063  2220.23  163.861   47.683   0.8758   47.688   1.7701 -0.5100250E-02 1.974899 
1 1 1  -15   43    4 o   42.001   0.9852  1713.46   62.410  1710.49   69.126  1726.59  145.150   41.951   0.8489   42.051   1.7782 -0.9988022E-01 1.970391 
1 1 1  -15   43    5 o   12.821   2.2183  102.980   40.334   77.766   42.911  294.180  118.167   8.7710   2.4343   16.872   3.7091 -8.100965 4.436579 
1 1 1  -15   43    6 o   19.614   1.5119  355.168   27.129  352.377   27.921  402.282  114.719   19.043   0.7553   20.184   2.9279 -1.141392 3.023738 
1 1 1  -15   43    7 o   45.473   1.0732  2030.69   93.954  2158.41  127.639  1879.66  138.804   47.061   1.3972   43.885   1.6294 3.176155 2.146383 
1 1 1  -15   43    8 o   45.787   1.0191  2044.09   90.575  2063.27  127.977  2024.85  128.208   46.003   1.4331   45.571   1.4493 0.4326553 2.038214 
1 1 1  -15   43    9 o   10.980   3.8226  109.858   99.910  109.858   99.910   0.0000   0.0000   10.980   3.8226  ?   ?       ?      ? 
1 1 1  -15   43   10 o   20.386   3.0320  412.675  119.986  412.675  119.986   0.0000   0.0000   20.386   3.0320  ?   ?       ?      ? 
1 1 1  -15   43   11 f   48.883   1.5761  2335.20  149.554  2335.20  149.554   0.0000   0.0000   48.883   1.5761  ?   ?       ?      ? 
1 1 1  -15   43   12 o   43.313   1.5292  1833.80  128.571  1833.80  128.571   0.0000   0.0000   43.313   1.5292  ?   ?       ?      ? 
1 1 1  -15   43   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   43   14 o   18.319   3.9161  355.503  135.036  355.503  135.036   0.0000   0.0000   18.319   3.9161  ?   ?       ?      ? 
1 1 1  -15   43   15 o   19.595   2.8580  386.064  108.710  386.064  108.710   0.0000   0.0000   19.595   2.8580  ?   ?       ?      ? 
1 1 1  -15   43   16 o   44.274   1.7684  1933.10  151.984  1933.10  151.984   0.0000   0.0000   44.274   1.7684  ?   ?       ?      ? 
1 1 1  -15   43   17 o   28.657   2.2781  821.982  126.728  821.982  126.728   0.0000   0.0000   28.657   2.2781  ?   ?       ?      ? 
1 1 1  -15   43   18 o   22.066   2.6232  493.031  112.364  493.031  112.364   0.0000   0.0000   22.066   2.6232  ?   ?       ?      ? 
1 1 1  -15   43   19 o   30.469   2.3772  937.840  140.601  937.840  140.601   0.0000   0.0000   30.469   2.3772  ?   ?       ?      ? 
1 1 1  -15   43   20 o   14.818   4.3354  254.336  132.627  254.336  132.627   0.0000   0.0000   14.818   4.3354  ?   ?       ?      ? 
1 1 1  -15   43   21 o   17.049   3.6143  325.166  115.903  325.166  115.903   0.0000   0.0000   17.049   3.6143  ?   ?       ?      ? 
1 1 1  -15   43   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   43   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   44    1 o   51.773   0.9723  2606.84   97.712  2606.84   97.712   0.0000   0.0000   51.773   0.9723  ?   ?       ?      ? 
1 1 1  -15   44    2 o   26.778   1.2397  695.542   53.499  691.593   60.564  709.567  114.140   26.655   1.1705   26.902   2.1857 -0.2471371 2.479383 
1 1 1  -15   44    3 o   34.426   1.0205  1149.10   56.585  1144.17   64.056  1166.60  120.730   34.301   0.9620   34.550   1.8001 -0.2499390 2.041051 
1 1 1  -15   44    4 o   44.207   0.9202  1917.36   64.532  1927.61   72.803  1879.80  139.400   44.531   0.8422   43.883   1.6364 0.6478271 1.840446 
1 1 1  -15   44    5 o   26.158   1.2181  637.477   34.036  631.578   35.462  706.416  121.228   25.495   0.7166   26.821   2.3284 -1.325804 2.436212 
1 1 1  -15   44    6 o   41.630   0.9084  1624.23   44.143  1608.64   46.443  1770.08  142.045   40.695   0.5879   42.565   1.7191 -1.869331 1.816891 
1 1 1  -15   44    7 o   10.204   2.8071   51.966   80.860   2.3684  104.723  125.192  127.246   8.4567   3.6098   11.952   4.2997 -3.495411 5.614106 
1 1 1  -15   44    8 f   72.513   1.1271  5145.76  158.091  5273.63  216.271  4999.03  231.671   73.504   1.5157   71.522   1.6686 1.981888 2.254285 
1 1 1  -15   44    9 o   24.953   2.3450  613.111  113.586  613.111  113.586   0.0000   0.0000   24.953   2.3450  ?   ?       ?      ? 
1 1 1  -15   44   10 o   16.339   3.7213  279.358  115.388  279.358  115.388   0.0000   0.0000   16.339   3.7213  ?   ?       ?      ? 
1 1 1  -15   44   11 o   18.640   3.0470  346.930  110.251  346.930  110.251   0.0000   0.0000   18.640   3.0470  ?   ?       ?      ? 
1 1 1  -15   44   12 o   44.604   1.4201  1943.96  122.962  1943.96  122.962   0.0000   0.0000   44.604   1.4201  ?   ?       ?      ? 
1 1 1  -15   44   13 o   17.307   3.5925  314.530  116.738  314.530  116.738   0.0000   0.0000   17.307   3.5925  ?   ?       ?      ? 
1 1 1  -15   44   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   44   15 o   10.521   4.1581   77.980  125.639   77.980  125.639   0.0000   0.0000   10.521   4.1581  ?   ?       ?      ? 
1 1 1  -15   44   16 o   23.341   2.5897  549.515  117.338  549.515  117.338   0.0000   0.0000   23.341   2.5897  ?   ?       ?      ? 
1 1 1  -15   44   17 o   10.083   4.1845   50.799  134.563   50.799  134.563   0.0000   0.0000   10.083   4.1845  ?   ?       ?      ? 
1 1 1  -15   44   18 o   19.706   3.0072  400.439  115.035  400.439  115.035   0.0000   0.0000   19.706   3.0072  ?   ?       ?      ? 
1 1 1  -15   44   19 o   18.707   3.4924  381.380  122.159  381.380  122.159   0.0000   0.0000   18.707   3.4924  ?   ?       ?      ? 
1 1 1  -15   44   20 f   14.926   4.4850  263.289  140.438  263.289  140.438   0.0000   0.0000   14.926   4.4850  ?   ?       ?      ? 
1 1 1  -15   44   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   44   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   45    1 o   20.768   1.7212  376.431   57.570  343.091   64.104  515.420  130.885   18.731   1.7630   22.805   2.9566 -4.073898 3.442345 
1 1 1  -15   45    2 o   47.249   0.9842  2214.63   74.536  2244.98   84.607  2109.40  157.523   48.047   0.9071   46.450   1.7470 1.596302 1.968471 
1 1 1  -15   45    3 o   13.526   2.3902  154.484   47.735  139.518   51.499  245.786  127.199   11.711   2.3471   15.341   4.1644 -3.630421 4.780334 
1 1 1  -15   45    4 o   43.288   1.1257  1823.04   92.430  1798.61  118.354  1861.24  147.989   42.944   1.4198   43.631   1.7473 -0.6871567 2.251398 
1 1 1  -15   45    5 o   24.952   1.3762  609.077   34.743  608.935   36.099  610.862  127.962   25.031   0.7429   24.874   2.6502 0.1572189 2.752363 
1 1 1  -15   45    6 o   22.637   1.5430  534.214   29.604  537.917   30.440  469.546  127.193   23.529   0.6665   21.745   3.0132 1.783375 3.086068 
1 1 1  -15   45    7 o   25.797   1.6050  649.081   78.399  629.735   99.736  680.364  126.828   25.333   2.0281   26.260   2.4880 -0.9268265 3.209920 
1 1 1  -15   45    8 o   22.799   2.0881  566.397   81.959  718.013  107.681  357.605  126.364   27.038   2.0516   18.559   3.6376 8.479410 4.176292 
1 1 1  -15   45    9 o   11.637   4.0910  124.994  114.571  124.994  114.571   0.0000   0.0000   11.637   4.0910  ?   ?       ?      ? 
1 1 1  -15   45   10 o   25.449   2.3104  639.253  114.137  639.253  114.137   0.0000   0.0000   25.449   2.3104  ?   ?       ?      ? 
1 1 1  -15   45   11 o   36.571   1.5677  1308.95  111.288  1308.95  111.288   0.0000   0.0000   36.571   1.5677  ?   ?       ?      ? 
1 1 1  -15   45   12 o   24.569   2.3186  597.758  110.578  597.758  110.578   0.0000   0.0000   24.569   2.3186  ?   ?       ?      ? 
1 1 1  -15   45   13 o   35.965   1.7858  1273.05  124.672  1273.05  124.672   0.0000   0.0000   35.965   1.7858  ?   ?       ?      ? 
1 1 1  -15   45   14 o   20.759   2.5477  431.914  102.661  431.914  102.661   0.0000   0.0000   20.759   2.5477  ?   ?       ?      ? 
1 1 1  -15   45   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   45   16 o   34.130   1.8324  1154.29  121.405  1154.29  121.405   0.0000   0.0000   34.130   1.8324  ?   ?       ?      ? 
1 1 1  -15   45   17 o   12.731   4.3403  172.458  128.560  172.458  128.560   0.0000   0.0000   12.731   4.3403  ?   ?       ?      ? 
1 1 1  -15   45   18 o   33.847   2.2607  1155.68  148.534  1155.68  148.534   0.0000   0.0000   33.847   2.2607  ?   ?       ?      ? 
1 1 1  -15   45   19 o   8.4339   3.7576 -16.9373  124.407 -16.9373  124.407   0.0000   0.0000   8.4339   3.7576  ?   ?       ?      ? 
1 1 1  -15   45   20 o   24.596   2.5351  623.566  121.042  623.566  121.042   0.0000   0.0000   24.596   2.5351  ?   ?       ?      ? 
1 1 1  -15   45   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   46    1 o   29.468   1.2390  852.620   59.948  854.919   68.546  845.141  123.632   29.620   1.1921   29.316   2.1725 0.3037262 2.478077 
1 1 1  -15   46    2 o   36.015   1.0378  1265.58   63.054  1264.75   72.950  1268.06  125.378   36.044   1.0426   35.986   1.7948 0.5784225E-01 2.075656 
1 1 1  -15   46    3 o   18.656   1.9892  425.571   50.585  473.963   56.923  243.861  110.304   22.045   1.3302   15.267   3.7494 6.778056 3.978337 
1 1 1  -15   46    4 o   36.297   1.0144  1335.08   55.322  1365.43   61.609  1208.74  125.705   37.470   0.8470   35.125   1.8436 2.345432 2.028889 
1 1 1  -15   46    5 o   20.787   1.4263  410.584   33.885  407.407   35.584  441.486  110.983   20.465   0.8958   21.109   2.7084 -0.6448288 2.852699 
1 1 1  -15   46    6 o   16.061   1.8725  245.302   27.886  243.132   28.796  278.027  111.840   15.807   0.9385   16.315   3.6254 -0.5084362 3.744917 
1 1 1  -15   46    7 o   44.727   1.0920  1968.45   93.999  2075.54  127.165  1839.45  139.569   46.102   1.4210   43.353   1.6585 2.749069 2.183952 
1 1 1  -15   46    8 o   50.854   1.0203  2526.20  100.589  2533.80  146.094  2519.35  138.702   50.919   1.4781   50.790   1.4068 0.1290741 2.040546 
1 1 1  -15   46    9 o   20.694   2.8951  427.168  116.296  427.168  116.296   0.0000   0.0000   20.694   2.8951  ?   ?       ?      ? 
1 1 1  -15   46   10 o   18.558   2.9396  344.527  105.901  344.527  105.901   0.0000   0.0000   18.558   2.9396  ?   ?       ?      ? 
1 1 1  -15   46   11 o   22.192   2.1490  486.693   92.576  486.693   92.576   0.0000   0.0000   22.192   2.1490  ?   ?       ?      ? 
1 1 1  -15   46   12 o   51.938   1.5061  2645.03  151.844  2645.03  151.844   0.0000   0.0000   51.938   1.5061  ?   ?       ?      ? 
1 1 1  -15   46   13 o   21.933   2.5529  482.348  108.691  482.348  108.691   0.0000   0.0000   21.933   2.5529  ?   ?       ?      ? 
1 1 1  -15   46   14 o   10.018   3.8834   77.590  107.836   77.590  107.836   0.0000   0.0000   10.018   3.8834  ?   ?       ?      ? 
1 1 1  -15   46   15 o   7.8309   3.4978 -28.7589  108.537 -28.7589  108.537   0.0000   0.0000   7.8309   3.4978  ?   ?       ?      ? 
1 1 1  -15   46   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   46   17 o   9.0818   3.8070   35.173  113.006   35.173  113.006   0.0000   0.0000   9.0818   3.8070  ?   ?       ?      ? 
1 1 1  -15   46   18 o   27.032   2.9756  762.053  156.138  762.053  156.138   0.0000   0.0000   27.032   2.9756  ?   ?       ?      ? 
1 1 1  -15   46   19 o   19.959   4.1930  460.629  157.290  460.629  157.290   0.0000   0.0000   19.959   4.1930  ?   ?       ?      ? 
1 1 1  -15   46   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   46   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   47    1 o   16.896   2.1008  271.407   57.396  255.451   65.191  326.415  121.043   16.114   2.0841   17.679   3.6482 -1.564526 4.201512 
1 1 1  -15   47    2 o   31.482   1.2401  954.372   63.476  940.685   71.977  1002.26  134.638   31.063   1.1937   31.901   2.1742 -0.8381481 2.480289 
1 1 1  -15   47    3 o   7.1583   2.2520  -6.0634   49.941   3.7929   54.728 -55.1194  122.096   6.2138   2.6293   8.1028   3.6570 -1.889001 4.504075 
1 1 1  -15   47    4 o   17.056   2.0519  258.905   48.882  242.971   52.883  352.420  128.113   15.749   1.7299   18.363   3.7214 -2.614853 4.103848 
1 1 1  -15   47    5 o   9.2163   2.4088   53.812   32.080   51.013   33.096   97.306  130.470   7.1764   2.1820   11.256   4.2951 -4.079795 4.817542 
1 1 1  -15   47    6 o   29.929   1.2318  892.981   34.652  895.206   35.821  860.551  136.744   30.352   0.6080   29.505   2.3875 0.8465023 2.463690 
1 1 1  -15   47    7 o   10.932   2.7124   96.167   80.825  182.294  104.497 -32.0833  127.516   13.223   3.8423   8.6414   3.8295 4.581923 5.424828 
1 1 1  -15   47    8 o   16.261   3.5630  277.571  109.359  277.571  109.359   0.0000   0.0000   16.261   3.5630  ?   ?       ?      ? 
1 1 1  -15   47    9 o   9.9201   3.9034   64.910  110.273   64.910  110.273   0.0000   0.0000   9.9201   3.9034  ?   ?       ?      ? 
1 1 1  -15   47   10 o   17.394   2.7867  303.224   94.090  303.224   94.090   0.0000   0.0000   17.394   2.7867  ?   ?       ?      ? 
1 1 1  -15   47   11 o   30.788   1.8859  935.499  112.712  935.499  112.712   0.0000   0.0000   30.788   1.8859  ?   ?       ?      ? 
1 1 1  -15   47   12 o   19.359   2.9717  380.431  111.678  380.431  111.678   0.0000   0.0000   19.359   2.9717  ?   ?       ?      ? 
1 1 1  -15   47   13 o   23.404   2.3397  548.570  106.294  548.570  106.294   0.0000   0.0000   23.404   2.3397  ?   ?       ?      ? 
1 1 1  -15   47   14 o   11.908   4.0852  145.868  113.907  145.868  113.907   0.0000   0.0000   11.908   4.0852  ?   ?       ?      ? 
1 1 1  -15   47   15 o   23.927   2.2751  574.273  105.670  574.273  105.670   0.0000   0.0000   23.927   2.2751  ?   ?       ?      ? 
1 1 1  -15   47   16 o   30.074   2.2347  910.052  130.463  910.052  130.463   0.0000   0.0000   30.074   2.2347  ?   ?       ?      ? 
1 1 1  -15   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   47   18 o   18.357   3.7278  377.489  128.301  377.489  128.301   0.0000   0.0000   18.357   3.7278  ?   ?       ?      ? 
1 1 1  -15   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   48    1 o   8.3969   2.4590   25.636   57.186   22.002   65.440   37.377  117.626   7.2441   2.9526   9.5497   3.9330 -2.305591 4.917969 
1 1 1  -15   48    2 o   18.341   1.7689  312.887   54.701  293.549   62.469  376.464  113.268   17.288   1.8615   19.395   3.0086 -2.106453 3.537879 
1 1 1  -15   48    3 o   54.397   0.8794  2866.38   82.417  2842.19   96.271  2932.75  159.469   54.036   0.9178   54.758   1.5003 -0.7221031 1.758725 
1 1 1  -15   48    4 o   39.748   0.9203  1618.92   49.326  1650.94   53.496  1437.15  127.438   41.211   0.6687   38.285   1.7148 2.925804 1.840544 
1 1 1  -15   48    5 o   9.4015   2.2745   38.559   31.389   26.802   32.736  172.635  110.547   5.8702   2.1701   12.933   3.9980 -7.062541 4.549013 
1 1 1  -15   48    6 o   16.255   1.8049  241.708   28.986  237.454   30.047  298.768  110.041   15.613   0.9914   16.897   3.4710 -1.283951 3.609822 
1 1 1  -15   48    7 o   25.848   1.6370  661.894   82.139  660.180  116.059  663.614  116.265   25.814   2.3161   25.882   2.3141 -0.6749535E-01 3.274050 
1 1 1  -15   48    8 o   13.949   3.9072  207.034  110.015  207.034  110.015   0.0000   0.0000   13.949   3.9072  ?   ?       ?      ? 
1 1 1  -15   48    9 o   20.546   2.6462  422.837  105.540  422.837  105.540   0.0000   0.0000   20.546   2.6462  ?   ?       ?      ? 
1 1 1  -15   48   10 f   18.120   2.7372  330.533   96.281  330.533   96.281   0.0000   0.0000   18.120   2.7372  ?   ?       ?      ? 
1 1 1  -15   48   11 o   7.0277   3.2729 -86.4594  108.787 -86.4594  108.787   0.0000   0.0000   7.0277   3.2729  ?   ?       ?      ? 
1 1 1  -15   48   12 o   34.470   1.7454  1174.24  116.792  1174.24  116.792   0.0000   0.0000   34.470   1.7454  ?   ?       ?      ? 
1 1 1  -15   48   13 o   15.765   3.4794  268.009  103.628  268.009  103.628   0.0000   0.0000   15.765   3.4794  ?   ?       ?      ? 
1 1 1  -15   48   14 o   9.7903   3.9236   64.416  113.388   64.416  113.388   0.0000   0.0000   9.7903   3.9236  ?   ?       ?      ? 
1 1 1  -15   48   15 o   8.9081   3.7792   25.042  113.533   25.042  113.533   0.0000   0.0000   8.9081   3.7792  ?   ?       ?      ? 
1 1 1  -15   48   16 o   18.018   3.4091  353.285  114.870  353.285  114.870   0.0000   0.0000   18.018   3.4091  ?   ?       ?      ? 
1 1 1  -15   48   17 o   14.076   4.3036  230.365  128.496  230.365  128.496   0.0000   0.0000   14.076   4.3036  ?   ?       ?      ? 
1 1 1  -15   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   49    1 o   10.458   2.5238   89.008   54.711   69.379   62.834  150.544  111.252   8.7015   3.0313   12.215   4.0361 -3.513700 5.047668 
1 1 1  -15   49    2 o   18.767   1.8370  330.565   56.088  314.461   63.194  390.336  121.746   17.880   1.8207   19.653   3.1912 -1.772957 3.674083 
1 1 1  -15   49    3 o   10.775   2.4919  120.091   57.326  138.393   64.953   55.608  121.923   11.527   2.9042   10.022   4.0502 1.504766 4.983758 
1 1 1  -15   49    4 o   8.5843   2.3896   39.668   36.568   35.794   38.257   80.639  124.415   6.5318   2.3567   10.637   4.1579 -4.104992 4.779287 
1 1 1  -15   49    5 o   14.265   2.1771  177.343   33.249  171.815   34.472  251.138  125.951   13.255   1.3398   15.275   4.1429 -2.020370 4.354184 
1 1 1  -15   49    6 o   23.704   1.3508  502.942   31.922  494.977   33.014  617.428  125.169   22.554   0.7540   24.855   2.5943 -2.300224 2.701698 
1 1 1  -15   49    7 o   12.295   2.8612  150.787   80.354  108.687  110.596  197.859  116.944   10.969   3.9993   13.620   4.0928 -2.650563 5.722381 
1 1 1  -15   49    8 o   8.0005   3.5148 -15.3082  105.210 -15.3082  105.210   0.0000   0.0000   8.0005   3.5148  ?   ?       ?      ? 
1 1 1  -15   49    9 o   15.789   3.0123  260.807   88.959  260.807   88.959   0.0000   0.0000   15.789   3.0123  ?   ?       ?      ? 
1 1 1  -15   49   10 o   24.375   2.2991  594.021  108.788  594.021  108.788   0.0000   0.0000   24.375   2.2991  ?   ?       ?      ? 
1 1 1  -15   49   11 o   14.556   3.8046  231.911  108.703  231.911  108.703   0.0000   0.0000   14.556   3.8046  ?   ?       ?      ? 
1 1 1  -15   49   12 o   33.424   1.6643  1103.01  107.982  1103.01  107.982   0.0000   0.0000   33.424   1.6643  ?   ?       ?      ? 
1 1 1  -15   49   13 o   8.4277   3.6805  -3.8329  113.865  -3.8329  113.865   0.0000   0.0000   8.4277   3.6805  ?   ?       ?      ? 
1 1 1  -15   49   14 o   20.970   2.6264  448.421  106.912  448.421  106.912   0.0000   0.0000   20.970   2.6264  ?   ?       ?      ? 
1 1 1  -15   49   15 o   22.371   2.9049  519.075  126.150  519.075  126.150   0.0000   0.0000   22.371   2.9049  ?   ?       ?      ? 
1 1 1  -15   49   16 o   40.113   1.5826  1596.37  123.228  1596.37  123.228   0.0000   0.0000   40.113   1.5826  ?   ?       ?      ? 
1 1 1  -15   49   17 o   20.227   3.6170  455.931  136.805  455.931  136.805   0.0000   0.0000   20.227   3.6170  ?   ?       ?      ? 
1 1 1  -15   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   50    1 o   16.566   2.1069  224.101   57.593  176.433   64.469  412.479  128.160   13.045   2.6367   20.087   3.2869 -7.042039 4.213737 
1 1 1  -15   50    2 o   19.233   2.0667  437.981   58.774  490.075   67.782  280.139  117.988   22.338   1.5632   16.127   3.8265 6.210531 4.133445 
1 1 1  -15   50    3 o   38.406   0.9969  1451.49   65.547  1458.35   76.558  1432.64  126.862   38.665   1.0200   38.148   1.7131 0.5170364 1.993814 
1 1 1  -15   50    4 o   18.436   1.8984  424.633   37.886  448.204   40.438  255.398  108.354   21.440   0.9717   15.433   3.6704 6.006178 3.796795 
1 1 1  -15   50    5 o   16.003   2.0707  348.294   36.269  370.581   38.395  163.618  110.524   19.490   1.0149   12.516   4.0152 6.973968 4.141485 
1 1 1  -15   50    6 o   5.1274   1.8298 -52.4596   29.945 -47.0979   30.926 -132.9694  119.839   3.3319   1.6059   6.9229   3.2885 -3.590936 3.659619 
1 1 1  -15   50    7 o   6.9748   2.3256 -139.7845   82.628 -217.4736  111.343 -44.5547  123.274   5.7772   2.8411   8.1725   3.6828 -2.395369 4.651299 
1 1 1  -15   50    8 o   28.694   1.9796  816.939  110.265  816.939  110.265   0.0000   0.0000   28.694   1.9796  ?   ?       ?      ? 
1 1 1  -15   50    9 o   26.915   1.8402  717.581   96.147  717.581   96.147   0.0000   0.0000   26.915   1.8402  ?   ?       ?      ? 
1 1 1  -15   50   10 o   7.6442   3.4612 -44.9356  110.400 -44.9356  110.400   0.0000   0.0000   7.6442   3.4612  ?   ?       ?      ? 
1 1 1  -15   50   11 f   8.1079   3.5346  -4.3119  104.595  -4.3119  104.595   0.0000   0.0000   8.1079   3.5346  ?   ?       ?      ? 
1 1 1  -15   50   12 o   19.858   2.5312  399.410   97.571  399.410   97.571   0.0000   0.0000   19.858   2.5312  ?   ?       ?      ? 
1 1 1  -15   50   13 o   36.341   1.9113  1316.85  134.828  1316.85  134.828   0.0000   0.0000   36.341   1.9113  ?   ?       ?      ? 
1 1 1  -15   50   14 f   7.3632   3.2727 -17.9679   93.793 -17.9679   93.793   0.0000   0.0000   7.3632   3.2727  ?   ?       ?      ? 
1 1 1  -15   50   15 o   23.202   2.6948  556.105  121.371  556.105  121.371   0.0000   0.0000   23.202   2.6948  ?   ?       ?      ? 
1 1 1  -15   50   16 o   10.147   4.1285   77.231  127.661   77.231  127.661   0.0000   0.0000   10.147   4.1285  ?   ?       ?      ? 
1 1 1  -15   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   51    1 o   12.208   2.4419  134.011   55.481  100.393   64.481  229.856  108.877   9.8817   3.0532   14.534   3.8119 -4.652653 4.883881 
1 1 1  -15   51    2 o   23.509   1.5278  527.233   60.167  505.568   68.793  597.735  124.101   22.668   1.5634   24.350   2.6255 -1.682035 3.055694 
1 1 1  -15   51    3 o   14.200   2.2733  189.165   40.234  183.763   42.361  238.955  128.599   13.663   1.5972   14.738   4.2567 -1.075422 4.546504 
1 1 1  -15   51    4 f   8.9867   2.4346   57.015   40.224   55.533   42.318   70.891  129.471   7.5654   2.4888   10.408   4.1850 -2.842721 4.869143 
1 1 1  -15   51    5 o   28.830   1.1841  764.118   41.925  748.681   44.330  894.930  129.046   27.719   0.8239   29.941   2.2203 -2.221975 2.368225 
1 1 1  -15   51    6 o   10.529   1.8924  150.576   31.021  165.282   32.360 -16.1246  108.951   12.986   1.2838   8.0727   3.5605 4.913024 3.784860 
1 1 1  -15   51    7 o   7.7021   2.3445 -57.8977   68.696   78.374  107.778 -151.1367   89.151   10.005   3.8812   5.3992   2.6311 4.605636 4.688977 
1 1 1  -15   51    8 o   12.292   3.6492  162.419   93.387  162.419   93.387   0.0000   0.0000   12.292   3.6492  ?   ?       ?      ? 
1 1 1  -15   51    9 o   9.6634   3.7699   70.658  102.124   70.658  102.124   0.0000   0.0000   9.6634   3.7699  ?   ?       ?      ? 
1 1 1  -15   51   10 o   32.845   1.9375  1072.78  123.531  1072.78  123.531   0.0000   0.0000   32.845   1.9375  ?   ?       ?      ? 
1 1 1  -15   51   11 f   19.151   2.6549  373.769   98.699  373.769   98.699   0.0000   0.0000   19.151   2.6549  ?   ?       ?      ? 
1 1 1  -15   51   12 o   11.926   4.0753  151.529  113.346  151.529  113.346   0.0000   0.0000   11.926   4.0753  ?   ?       ?      ? 
1 1 1  -15   51   13 o   7.8271   3.4842 -18.7688  106.722 -18.7688  106.722   0.0000   0.0000   7.8271   3.4842  ?   ?       ?      ? 
1 1 1  -15   51   14 o   15.366   4.1051  272.873  124.776  272.873  124.776   0.0000   0.0000   15.366   4.1051  ?   ?       ?      ? 
1 1 1  -15   51   15 o   19.535   2.9350  401.128  111.298  401.128  111.298   0.0000   0.0000   19.535   2.9350  ?   ?       ?      ? 
1 1 1  -15   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   52    1 o   5.3186   1.8836 -166.0653   57.111 -163.5880   64.519 -175.0324  122.752   4.0677   2.0283   6.5694   3.1745 -2.501763 3.767103 
1 1 1  -15   52    2 o   21.803   1.5469  432.435   56.871  393.549   64.653  565.439  119.571   19.964   1.6683   23.641   2.6055 -3.677366 3.093845 
1 1 1  -15   52    3 o   32.089   1.0753  1026.68   47.720  1032.39   51.846  995.055  122.055   32.546   0.8207   31.632   1.9878 0.9142284 2.150525 
1 1 1  -15   52    4 f   20.924   1.4856  402.827   42.027  390.234   45.083  486.390  116.131   19.967   1.1631   21.881   2.7341 -1.914143 2.971186 
1 1 1  -15   52    5 o   38.127   1.0696  1537.34   51.456  1574.86   55.254  1292.30  141.212   40.219   0.7077   36.034   2.0188 4.184124 2.139244 
1 1 1  -15   52    6 o   10.507   2.4059   74.027   32.098   66.930   33.159  179.572  127.878   8.0468   2.1004   12.967   4.3292 -4.920463 4.811795 
1 1 1  -15   52    7 o   12.587   2.6453  170.174   74.994  246.303  101.806   79.853  110.890   15.072   3.5400   10.103   3.9319 4.969143 5.290674 
1 1 1  -15   52    8 o   16.020   3.1268  272.605   93.744  272.605   93.744   0.0000   0.0000   16.020   3.1268  ?   ?       ?      ? 
1 1 1  -15   52    9 o   28.369   2.1689  806.746  119.436  806.746  119.436   0.0000   0.0000   28.369   2.1689  ?   ?       ?      ? 
1 1 1  -15   52   10 o   8.7826   3.7126   26.354  108.939   26.354  108.939   0.0000   0.0000   8.7826   3.7126  ?   ?       ?      ? 
1 1 1  -15   52   11 o   17.357   2.8038  310.738   94.468  310.738   94.468   0.0000   0.0000   17.357   2.8038  ?   ?       ?      ? 
1 1 1  -15   52   12 o   29.719   2.1935  892.318  126.545  892.318  126.545   0.0000   0.0000   29.719   2.1935  ?   ?       ?      ? 
1 1 1  -15   52   13 o   21.461   2.2663  467.781   94.412  467.781   94.412   0.0000   0.0000   21.461   2.2663  ?   ?       ?      ? 
1 1 1  -15   52   14 o   11.127   4.1409  126.508  119.584  126.508  119.584   0.0000   0.0000   11.127   4.1409  ?   ?       ?      ? 
1 1 1  -15   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   53    1 o   31.883   1.1652  1018.35   65.869  1040.28   79.067  968.610  119.079   32.571   1.2506   31.195   1.9665 1.375879 2.330431 
1 1 1  -15   53    2 o   17.374   2.1408  331.807   56.687  344.947   64.254  285.664  120.410   18.661   1.7737   16.087   3.8970 2.574503 4.281672 
1 1 1  -15   53    3 o   20.491   1.7342  419.287   43.898  418.066   46.690  428.589  128.867   20.663   1.1640   20.319   3.2672 0.3442421 3.468370 
1 1 1  -15   53    4 f   42.620   0.9648  1728.18   57.344  1704.07   62.108  1867.56  149.306   41.821   0.7650   43.419   1.7715 -1.598713 1.929594 
1 1 1  -15   53    5 o   12.525   2.1161  193.485   38.370  206.239   40.908  100.164  110.658   14.474   1.4559   10.576   3.9740 3.898411 4.232267 
1 1 1  -15   53    6 o   17.426   1.8335  323.097   31.654  325.174   33.030  299.712  110.832   18.249   0.9324   16.604   3.5465 1.645487 3.666981 
1 1 1  -15   53    7 o   13.824   0.7426  186.212   19.926  186.212   19.926   0.0000   0.0000   13.824   0.7426  ?   ?       ?      ? 
1 1 1  -15   53    8 o   17.933   2.9884  333.088  104.031  333.088  104.031   0.0000   0.0000   17.933   2.9884  ?   ?       ?      ? 
1 1 1  -15   53    9 o   8.7009   3.7120   20.903  110.625   20.903  110.625   0.0000   0.0000   8.7009   3.7120  ?   ?       ?      ? 
1 1 1  -15   53   10 o   18.073   2.7589  337.116   96.794  337.116   96.794   0.0000   0.0000   18.073   2.7589  ?   ?       ?      ? 
1 1 1  -15   53   11 o   13.296   4.0731  201.362  115.038  201.362  115.038   0.0000   0.0000   13.296   4.0731  ?   ?       ?      ? 
1 1 1  -15   53   12 o   11.460   4.0586  140.217  112.954  140.217  112.954   0.0000   0.0000   11.460   4.0586  ?   ?       ?      ? 
1 1 1  -15   53   13 o   26.627   2.3763  726.683  122.824  726.683  122.824   0.0000   0.0000   26.627   2.3763  ?   ?       ?      ? 
1 1 1  -15   53   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   54    1 o   26.481   1.4693  707.472   62.479  711.444   70.947  693.751  131.873   26.887   1.3593   26.075   2.6054 0.8122292 2.938685 
1 1 1  -15   54    2 f   5.9890   1.9645 -23.1340   42.871  -3.1124   46.066 -152.6542  117.165   5.4522   2.3614   6.5258   3.1403 -1.073586 3.929056 
1 1 1  -15   54    3 o   7.6090   2.2160   32.361   41.311   35.193   44.789   16.228  106.915   6.7021   2.5263   8.5159   3.6415 -1.813827 4.432029 
1 1 1  -15   54    4 f   18.306   1.9672  368.793   43.872  376.183   47.130  320.824  120.082   19.574   1.2404   17.038   3.7338 2.535843 3.934442 
1 1 1  -15   54    5 o   23.023   1.4612  469.147   41.351  452.384   43.615  618.150  130.033   21.499   1.0451   24.546   2.7291 -3.046295 2.922309 
1 1 1  -15   54    6 o   12.440   2.2662  148.105   31.906  146.181   32.965  176.623  126.927   12.180   1.3942   12.700   4.3127 -0.5203915 4.532455 
1 1 1  -15   54    7 o   29.371   0.5484  839.344   31.270  839.344   31.270   0.0000   0.0000   29.371   0.5484  ?   ?       ?      ? 
1 1 1  -15   54    8 f   13.816   3.9423  216.170  110.929  216.170  110.929   0.0000   0.0000   13.816   3.9423  ?   ?       ?      ? 
1 1 1  -15   54    9 f   12.545   4.0431  176.199  111.966  176.199  111.966   0.0000   0.0000   12.545   4.0431  ?   ?       ?      ? 
1 1 1  -15   54   10 o   8.4824   3.5412   33.909   97.191   33.909   97.191   0.0000   0.0000   8.4824   3.5412  ?   ?       ?      ? 
1 1 1  -15   54   11 o   22.235   2.9603  520.083  127.773  520.083  127.773   0.0000   0.0000   22.235   2.9603  ?   ?       ?      ? 
1 1 1  -15   54   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   54   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   54   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   55    1 o   10.217   2.5514   97.593   57.092   87.783   66.211  126.032  112.730   9.2892   3.1150   11.146   4.0417 -1.856564 5.102801 
1 1 1  -15   55    2 o   23.965   1.4628  525.845   47.986  505.953   51.550  654.938  131.326   22.702   1.1698   25.229   2.6816 -2.526579 2.925618 
1 1 1  -15   55    3 o   17.965   2.2185  360.531   46.166  365.633   49.015  320.428  137.426   19.271   1.3102   16.659   4.2392 2.612309 4.437057 
1 1 1  -15   55    4 o   20.277   1.7286  412.860   44.423  410.888   47.440  426.905  126.591   20.453   1.1949   20.102   3.2442 0.3511715 3.457254 
1 1 1  -15   55    5 o   15.775   1.7647  254.263   38.797  252.451   42.500  263.321   95.042   16.001   1.3683   15.549   3.2534 0.4520168 3.529439 
1 1 1  -15   55    6 o   18.192   1.7135  273.029   33.246  261.687   34.457  425.867  126.488   16.337   1.0866   20.048   3.2502 -3.711725 3.426982 
1 1 1  -15   55    7 o   8.5315   1.5748   74.351   25.119   74.351   25.119   0.0000   0.0000   8.5315   1.5748  ?   ?       ?      ? 
1 1 1  -15   55    8 o   20.019   2.9898  420.824  116.183  420.824  116.183   0.0000   0.0000   20.019   2.9898  ?   ?       ?      ? 
1 1 1  -15   55    9 o   13.340   3.7599  202.505  101.548  202.505  101.548   0.0000   0.0000   13.340   3.7599  ?   ?       ?      ? 
1 1 1  -15   55   10 o   12.504   4.0406  179.020  111.770  179.020  111.770   0.0000   0.0000   12.504   4.0406  ?   ?       ?      ? 
1 1 1  -15   55   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   55   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   55   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   56    1 o   19.075   1.9229  297.148   60.461  235.765   67.265  555.360  137.960   15.226   2.2759   22.924   3.1002 -7.698886 3.845876 
1 1 1  -15   56    2 o   17.878   2.0296  314.107   49.568  303.419   53.755  374.804  128.102   17.481   1.5841   18.274   3.7372 -0.7933540 4.059116 
1 1 1  -15   56    3 o   29.954   1.2365  969.859   52.024  1009.42   57.331  785.365  123.812   32.125   0.9194   27.783   2.2957 4.341892 2.472957 
1 1 1  -15   56    4 o   14.677   2.3403  253.441   46.412  261.174   49.546  198.061  132.598   16.220   1.5736   13.135   4.4082 3.084892 4.680666 
1 1 1  -15   56    5 o   11.898   2.3586  151.006   40.750  153.282   42.733  128.177  135.343   12.386   1.7774   11.411   4.3696 0.9751453 4.717290 
1 1 1  -15   56    6 o   5.8680   1.9312 -32.5787   33.893 -38.2553   36.256   6.7589   95.442   3.9001   1.8394   7.8360   3.3964 -3.935942 3.862497 
1 1 1  -15   56    7 o   20.036   0.7647  391.853   29.741  391.853   29.741   0.0000   0.0000   20.036   0.7647  ?   ?       ?      ? 
1 1 1  -15   56    8 f   19.506   2.9693  402.281  112.429  402.281  112.429   0.0000   0.0000   19.506   2.9693  ?   ?       ?      ? 
1 1 1  -15   56    9 o   8.2856   3.5082   28.112   97.525   28.112   97.525   0.0000   0.0000   8.2856   3.5082  ?   ?       ?      ? 
1 1 1  -15   56   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   56   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   57    1 o   16.531   2.0897  305.643   46.269  311.667   50.381  273.188  116.935   17.726   1.4642   15.337   3.9145 2.388807 4.179397 
1 1 1  -15   57    2 o   6.8768   2.2331 -17.3507   47.786 -16.9072   51.548 -20.0609  127.425   5.3679   2.4032   8.3857   3.7645 -3.017757 4.466204 
1 1 1  -15   57    3 f   10.071   2.5872   81.807   47.653   72.566   50.923  146.914  135.160   8.3911   2.7286   11.751   4.3965 -3.360003 5.174454 
1 1 1  -15   57    4 o   6.8207   2.0948   14.205   43.378   30.346   46.901 -81.2928  114.082   6.5424   2.5541   7.0990   3.3211 -0.5565352 4.189660 
1 1 1  -15   57    5 o   6.4045   2.1189 -37.2138   40.472 -43.6154   43.136   9.8714  116.987   4.2685   2.0111   8.5406   3.7302 -4.272068 4.237832 
1 1 1  -15   57    6 o   11.403   3.8774  144.797  102.601  144.797  102.601   0.0000   0.0000   11.403   3.8774  ?   ?       ?      ? 
1 1 1  -15   57    7 o   8.3800   3.6614   9.9589  112.804   9.9589  112.804   0.0000   0.0000   8.3800   3.6614  ?   ?       ?      ? 
1 1 1  -15   57    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   57    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   57   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   58    1 o   14.342   2.4243  228.863   51.484  228.899   55.630  228.654  135.901   15.042   1.9052   13.643   4.4586 1.398692 4.848646 
1 1 1  -15   58    2 o   16.923   2.2240  359.640   49.869  381.262   54.415  246.218  124.630   19.589   1.4310   14.257   4.2115 5.331767 4.447983 
1 1 1  -15   58    3 f   12.281   2.2618  177.459   46.243  186.475   50.302  128.262  117.503   13.579   1.9084   10.983   4.1013 2.595681 4.523511 
1 1 1  -15   58    4 o   7.5959   2.3844   2.0405   44.865  -4.8032   47.542   57.727  135.615   5.4247   2.3734   9.7671   4.1363 -4.342336 4.768834 
1 1 1  -15   58    5 o   10.353   2.7830  100.488   72.265   82.850   86.543  141.111  131.339   9.3031   3.5105   11.402   4.3193 -2.099254 5.565921 
1 1 1  -15   58    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -15   58    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14    0    1 f  288.867   2.2000 81012.07  1232.13 79712.12  1700.26 82449.70  1788.04  286.433   3.0587  291.302   3.1629 -0.000000 0.000000 
1 1 1  -14    0    2 o  119.295   1.3163 13823.17  304.618 13616.57  426.857 14037.58  434.845  118.387   1.8585  120.204   1.8646 -0.000000 0.000000 
1 1 1  -14    0    3 o  172.575   1.6604 28937.01  555.666 29036.05  773.561 28831.42  798.702  172.883   2.3060  172.267   2.3895 -0.000000 0.000000 
1 1 1  -14    0    4 o  125.344   1.3625 15261.88  331.298 15137.72  464.223 15390.75  472.950  124.825   1.9169  125.863   1.9368 -0.000000 0.000000 
1 1 1  -14    0    5 o  118.181   1.2715 13558.22  291.432 13175.38  405.383 13967.73  419.262  116.454   1.7942  119.907   1.8022 -0.000000 0.000000 
1 1 1  -14    0    6 o  113.460   1.2880 12504.34  283.465 12694.42  405.324 12322.38  396.579  114.304   1.8278  112.616   1.8152 -0.000000 0.000000 
1 1 1  -14    0    7 o  187.591   1.7651 34186.82  642.267 33973.11  895.473 34413.23  921.700  186.989   2.4680  188.192   2.5241 -0.000000 0.000000 
1 1 1  -14    0    8 o   39.337   0.7976  1505.73   60.789  1511.78   86.468  1499.83   85.476   39.415   1.1322   39.259   1.1237 -0.000000 0.000000 
1 1 1  -14    0    9 o  327.374   2.3578 104184.70  1497.89 103943.30  2102.82 104433.40  2134.21  326.992   3.3136  327.756   3.3552 -0.000000 0.000000 
1 1 1  -14    0   10 o   82.092   1.0106  6541.27  160.821  6731.35  232.954  6368.19  222.292   83.231   1.4428   80.954   1.4155 -0.000000 0.000000 
1 1 1  -14    0   11 o  103.988   2.5873 11277.03  351.649 11561.21  380.085  9588.21  926.565  109.075   1.7962   98.900   4.8529 -0.000000 0.000000 
1 1 1  -14    0   12 f   99.314   2.4362  8479.47  262.576  8264.97  273.182 11082.02  951.555   92.227   1.5269  106.402   4.6269 -0.000000 0.000000 
1 1 1  -14    0   13 o   60.700   2.7070  3341.00  128.625  3315.03  131.337  3950.51  636.245   58.401   1.1595   62.998   5.2884 -0.000000 0.000000 
1 1 1  -14    0   14 o  100.682   2.7337  9701.11  302.219  9656.34  316.321 10169.98  1023.59   99.677   1.6358  101.687   5.2169 -0.000000 0.000000 
1 1 1  -14    0   15 o   42.647   4.0044  1803.74   89.488  1800.80   90.558  1925.74  583.916   43.027   1.0858   42.267   7.9349 -0.000000 0.000000 
1 1 1  -14    0   16 o   11.790   4.3953  156.330   63.591  163.334   63.872 -633.4402  678.257   11.853   3.2117   11.727   8.1829 -0.000000 0.000000 
1 1 1  -14    0   17 o   72.534   3.4890  5292.57  190.848  5300.27  195.033  5118.89  926.206   73.842   1.3617   71.227   6.8440 -0.000000 0.000000 
1 1 1  -14    0   18 f   96.643   2.7569  8812.59  285.331  8746.02  297.690  9564.64  1000.62   94.847   1.6179   98.439   5.2710 -0.000000 0.000000 
1 1 1  -14    0   19 o   22.826   6.1366  325.758   78.179  314.639   78.716  1131.59  670.128   17.493   2.4572   28.158   12.025 -0.000000 0.000000 
1 1 1  -14    0   20 o   42.377   5.4293  1691.13   95.961  1683.79   96.691  2171.73  782.308   41.588   1.2000   43.166   10.792 -0.000000 0.000000 
1 1 1  -14    0   21 o   88.789   5.1132  7875.85  861.231  8727.04  1321.33  7247.14  1135.59   92.885   7.4380   84.694   7.0181 -0.000000 0.000000 
1 1 1  -14    0   22 o   33.997   6.8803  1041.28  116.153  1028.67  117.155  1768.94  889.773   32.366   1.8792   35.627   13.632 -0.000000 0.000000 
1 1 1  -14    0   23 o   20.363   5.7243  565.703  108.906  574.941  109.568 -191.1200  991.706   23.944   2.4136   16.782   11.191 -0.000000 0.000000 
1 1 1  -14    0   24 o   77.289   5.4085  6314.27  245.183  6324.34  248.801  5975.42  1442.79   80.610   1.5914   73.968   10.699 -0.000000 0.000000 
1 1 1  -14    0   25 o   32.450   8.9240  1206.45  135.952  1203.93  136.348  1639.43  1785.16   34.986   2.0232   29.914   17.733 -0.000000 0.000000 
1 1 1  -14    0   26 o   14.261   6.4823  189.346  124.952  198.990  125.316 -1459.8340  1638.78   11.803   5.2075   16.719   11.873 -0.000000 0.000000 
1 1 1  -14    0   27 o   27.660   8.7850  545.567  135.401  530.130  135.989  2316.70  1456.66   22.513   3.3247   32.807   17.253 -0.000000 0.000000 
1 1 1  -14    0   28 o   10.615   5.2445  168.930  129.714  168.930  129.714   0.0000   0.0000   10.615   5.2445   10.615   5.2445 -0.000000 0.000000 
1 1 1  -14    0   29 o   64.528   1.5735  4074.99  196.826  4074.99  196.826   0.0000   0.0000   64.528   1.5735   64.528   1.5735 -0.000000 0.000000 
1 1 1  -14    0   30 o   8.0845   4.7397   86.030  125.044   86.030  125.044   0.0000   0.0000   8.0845   4.7397   8.0845   4.7397 -0.000000 0.000000 
1 1 1  -14    0   31 o   16.809   4.8263  353.402  136.545  353.402  136.545   0.0000   0.0000   16.809   4.8263   16.809   4.8263 -0.000000 0.000000 
1 1 1  -14    0   32 o   6.6477   4.3707  -1.2465  142.760  -1.2465  142.760   0.0000   0.0000   6.6477   4.3707   6.6477   4.3707 -0.000000 0.000000 
1 1 1  -14    0   33 o   32.949   2.6378  1117.30  166.222  1117.30  166.222   0.0000   0.0000   32.949   2.6378   32.949   2.6378 -0.000000 0.000000 
1 1 1  -14    1    1 o  107.146   0.8661 11136.25  180.064 11482.21  259.098 10813.07  250.421  108.755   1.2273  105.538   1.2224 3.216377 1.732169 
1 1 1  -14    1    2 o   85.580   0.7381  7109.56  122.609  7136.78  173.973  7082.69  172.822   85.743   1.0452   85.418   1.0423 0.3254623 1.476106 
1 1 1  -14    1    3 o   71.165   0.6598  4912.65   91.109  4791.81  126.714  5041.99  131.092   70.260   0.9291   72.070   0.9370 -1.810730 1.319555 
1 1 1  -14    1    4 o  166.510   1.1548 26920.14  373.259 26838.78  525.681 27002.87  530.081  166.257   1.6288  166.764   1.6375 -0.5071259 2.309638 
1 1 1  -14    1    5 o  130.867   0.9963 16626.89  253.092 16542.86  356.444 16712.34  359.426  130.533   1.4067  131.200   1.4113 -0.6668243 1.992612 
1 1 1  -14    1    6 o  149.763   1.0648 21775.58  309.529 21881.06  441.706 21673.81  433.879  150.118   1.5158  149.407   1.4960 0.7118988 2.129695 
1 1 1  -14    1    7 o  119.190   0.9424 13786.19  217.995 13476.32  304.272 14112.99  312.474  117.814   1.3305  120.565   1.3351 -2.750717 1.884866 
1 1 1  -14    1    8 o  152.046   1.1175 22449.76  329.829 22425.99  464.972 22473.83  467.939  151.965   1.5762  152.127   1.5846 -0.1615906 2.235041 
1 1 1  -14    1    9 o  105.016   0.8574 10707.36  174.773 10745.77  247.878 10669.39  246.461  105.203   1.2138  104.828   1.2112 0.3744888 1.714713 
1 1 1  -14    1   10 o  188.121   1.2436 34372.11  454.119 34691.63  644.920 34057.89  639.555  188.988   1.7580  187.254   1.7595 1.734283 2.487194 
1 1 1  -14    1   11 o   94.549   1.0823  8690.32  198.429  8331.72  282.730  9038.42  278.559   92.624   1.5725   96.475   1.4874 -3.851234 2.164516 
1 1 1  -14    1   12 o   89.286   1.0487  7741.05  181.723  7796.20  259.810  7688.24  254.271   89.597   1.4938   88.975   1.4722 0.6217575 2.097337 
1 1 1  -14    1   13 o   13.104   1.7353  170.589   42.734  123.154   58.778  223.779   62.241   11.035   2.7530   15.173   2.1132 -4.138014 3.470571 
1 1 1  -14    1   14 o   52.442   0.7750  2670.30   78.894  2698.07  112.343  2643.28  110.818   52.711   1.0979   52.173   1.0942 0.5378113 1.550076 
1 1 1  -14    1   15 o   23.905   1.0269  555.239   47.554  603.086   67.919  509.229   66.602   24.916   1.4042   22.894   1.4986 2.022169 2.053734 
1 1 1  -14    1   16 o   94.497   1.0770  8676.71  197.539  8695.16  281.138  8658.73  277.619   94.596   1.5310   94.399   1.5150 0.1972351 2.153910 
1 1 1  -14    1   17 o  117.090   1.2433 13331.24  282.528 13441.46  396.380 13217.43  402.806  117.585   1.7366  116.596   1.7797 0.9888000 2.486578 
1 1 1  -14    1   18 o   92.409   1.1032  8300.52  197.887  8312.56  279.905  8288.48  279.803   92.476   1.5593   92.341   1.5610 0.1341629 2.206326 
1 1 1  -14    1   19 o   58.528   0.8697  3327.82   98.807  3348.90  140.592  3307.26  138.891   58.711   1.2336   58.345   1.2263 0.3657722 1.739448 
1 1 1  -14    1   20 o   13.962   2.1120  199.047   55.488  174.977   80.541  220.793   76.554   13.119   3.1929   14.805   2.7654 -1.686683 4.223974 
1 1 1  -14    1   21 o   46.273   6.4040  2284.97  554.316  2347.11  800.647  2227.76  768.201   46.858   9.1303   45.687   8.9822 1.171631 12.80792 
1 1 1  -14    1   22 o   96.204   1.1734  9000.90  219.061  8763.20  305.584  9252.18  314.192   94.898   1.6589   97.510   1.6599 -2.611511 2.346715 
1 1 1  -14    1   23 f   70.743   1.0408  4869.20  142.920  4912.03  202.320  4826.54  201.921   71.055   1.4668   70.432   1.4769 0.6221695 2.081526 
1 1 1  -14    1   24 o   78.436   1.1118  5990.09  169.286  6003.85  239.923  5976.45  238.893   78.526   1.5740   78.347   1.5708 0.1789093 2.223676 
1 1 1  -14    1   25 o   74.210   1.1169  5367.30  160.882  5396.73  229.251  5338.74  225.831   74.408   1.5872   74.011   1.5719 0.3978348 2.233826 
1 1 1  -14    1   26 o   19.674   2.3621  399.676   86.147  473.800  118.310  316.023  125.684   21.905   2.7824   17.443   3.8179 4.462315 4.724175 
1 1 1  -14    1   27 o   19.452   2.5306  405.190   90.732  554.029  126.206  245.970  130.533   23.629   2.7515   15.275   4.2480 8.353406 5.061257 
1 1 1  -14    1   28 o   28.670   1.6852  814.517   93.733  823.228  135.183  806.451  130.082   28.809   2.4172   28.531   2.3487 0.2779427 3.370378 
1 1 1  -14    1   29 o   14.176   2.8437  216.253   89.129   98.410  129.312  322.902  123.017   11.041   4.2602   17.311   3.7678 -6.269539 5.687318 
1 1 1  -14    1   30 o   32.050   1.5962  1033.92   98.031  1235.96  140.090  840.048  137.229   35.221   2.0490   28.878   2.4480 6.343016 3.192335 
1 1 1  -14    1   31 o   45.100   1.3693  2031.23  119.748  1973.03  164.704  2096.49  174.411   44.435   1.9095   45.766   1.9632 -1.331619 2.738657 
1 1 1  -14    1   32 o   24.588   2.2574  638.966  107.182  719.827  161.665  575.548  143.171   25.950   3.2093   23.226   3.1755 2.723463 4.514799 
1 1 1  -14    1   33 o   17.746   3.1805  389.743  109.782  337.694  148.443  452.576  163.100   16.381   4.5205   19.110   4.4753 -2.728888 6.361093 
1 1 1  -14    2    1 f  120.606   0.9327 14120.83  218.354 14220.34  310.269 14023.18  307.351  121.027   1.3207  120.185   1.3174 0.8418503 1.865396 
1 1 1  -14    2    2 o  154.897   1.1053 23292.18  332.307 23629.02  473.226 22964.51  466.747  156.002   1.5627  153.792   1.5634 2.209274 2.210514 
1 1 1  -14    2    3 o  205.845   1.3073 41146.29  522.362 41165.77  736.356 41126.55  741.130  205.894   1.8424  205.796   1.8552 0.9883118E-01 2.614604 
1 1 1  -14    2    4 o  174.055   1.1977 29408.53  404.612 28902.11  566.531 29935.76  578.061  172.527   1.6916  175.584   1.6960 -3.057816 2.395400 
1 1 1  -14    2    5 o   81.109   0.7173  6384.58  112.921  6481.59  161.397  6291.55  158.044   81.713   1.0175   80.506   1.0113 1.206764 1.434611 
1 1 1  -14    2    6 o   30.495   0.6759  902.531   40.005  889.711   56.108  915.788   57.055   30.274   0.9547   30.715   0.9569 -0.4404564 1.351762 
1 1 1  -14    2    7 o  129.204   0.9873 16203.33  247.538 16388.77  355.800 16029.38  344.611  129.920   1.4108  128.488   1.3817 1.431427 1.974671 
1 1 1  -14    2    8 o  245.173   1.4326 58392.84  681.792 58267.73  963.794 58518.17  964.605  244.910   2.0273  245.436   2.0246 -0.5260315 2.865128 
1 1 1  -14    2    9 f  214.366   1.3561 44639.16  564.300 44701.14  801.521 44578.23  794.605  214.513   1.9248  214.219   1.9109 0.2937927 2.712265 
1 1 1  -14    2   10 o  141.885   1.0608 19550.15  292.148 19523.62  414.840 19576.26  411.499  141.790   1.5072  141.981   1.4930 -0.1917267 2.121516 
1 1 1  -14    2   11 o  143.175   1.3944 19914.81  387.526 19961.99  546.722 19867.16  549.378  143.346   1.9648  143.004   1.9791 0.3418427 2.788736 
1 1 1  -14    2   12 f   40.635   0.7832  1603.51   61.732  1594.54   88.911  1611.85   85.778   40.525   1.1302   40.745   1.0845 -0.2199211 1.566396 
1 1 1  -14    2   13 o   21.188   1.1592  434.175   47.417  502.780   69.435  374.223   64.909   22.750   1.5723   19.626   1.7038 3.124313 2.318359 
1 1 1  -14    2   14 o   29.862   0.8847  866.944   51.222  843.676   73.628  888.767   71.305   29.473   1.2869   30.251   1.2143 -0.7784729 1.769351 
1 1 1  -14    2   15 o   69.221   0.9159  4652.89  123.050  4712.74  176.088  4595.77  172.021   69.656   1.3023   68.787   1.2883 0.8693390 1.831840 
1 1 1  -14    2   16 o   42.943   0.8056  1791.46   67.143  1819.70   94.424  1762.57   95.493   43.286   1.1237   42.600   1.1548 0.6857262 1.611300 
1 1 1  -14    2   17 o  101.323   1.1382  9976.96  223.844  9867.11  313.939 10090.57  319.254  100.756   1.6051  101.890   1.6141 -1.133705 2.276369 
1 1 1  -14    2   18 o   38.175   0.8787  1407.85   64.914  1565.81   95.734  1273.41   88.319   40.147   1.2284   36.204   1.2567 3.942909 1.757368 
1 1 1  -14    2   19 o   24.491   1.1753  584.143   55.739  568.579   81.074  598.093   76.756   24.180   1.7273   24.803   1.5942 -0.6232090 2.350535 
1 1 1  -14    2   20 o   72.329   0.9608  5082.44  134.853  5163.43  193.699  5006.26  187.858   72.887   1.3690   71.771   1.3484 1.116447 1.921551 
1 1 1  -14    2   21 o   22.658   4.7449  476.027   91.586  338.116  626.825  479.035   92.580   23.144   9.2429   22.172   2.1511 0.9724903 9.489856 
1 1 1  -14    2   22 o   52.008   3.8125  2828.93  147.006  2550.36  726.441  2840.82  150.112   49.966   7.4896   54.049   1.4307 -4.082817 7.625012 
1 1 1  -14    2   23 o   43.602   1.0679  1842.87   90.182  1954.47  133.159  1748.32  122.571   44.816   1.5307   42.389   1.4896 2.426464 2.135835 
1 1 1  -14    2   24 o   47.777   1.0995  2222.30  101.728  2223.22  149.143  2221.50  139.110   47.781   1.6080   47.773   1.5001 0.8201599E-02 2.199055 
1 1 1  -14    2   25 o   23.584   1.8569  546.443   84.751  603.036  121.128  492.164  118.625   24.792   2.5169   22.376   2.7310 2.416012 3.713897 
1 1 1  -14    2   26 o   46.532   1.1753  2114.37  106.130  2184.57  150.941  2045.73  149.255   47.299   1.6440   45.765   1.6801 1.533821 2.350598 
1 1 1  -14    2   27 o   28.990   1.6820  829.917   94.438  760.940  132.677  900.753  134.452   27.751   2.4629   30.229   2.2913 -2.478024 3.363911 
1 1 1  -14    2   28 o   27.422   1.7356  746.965   91.878  849.593  131.717  649.706  128.225   29.291   2.3165   25.553   2.5851 3.738539 3.471168 
1 1 1  -14    2   29 o   34.309   1.4394  1166.34   95.805  1220.58  138.042  1115.94  133.071   35.080   2.0271   33.537   2.0441 1.543335 2.878793 
1 1 1  -14    2   30 o   18.133   2.6016  362.788   89.708  235.257  128.577  483.751  125.222   14.539   4.2729   21.727   2.9690 -7.188256 5.203106 
1 1 1  -14    2   31 o   11.163   3.0457   95.879   97.477   17.618  132.568  187.997  143.827   9.2749   4.0114   13.051   4.5840 -3.776254 6.091311 
1 1 1  -14    2   32 o   12.871   3.2286  189.826  102.499  149.798  151.382  223.712  139.283   12.011   4.6161   13.731   4.5151 -1.719516 6.457110 
1 1 1  -14    2   33 o   30.297   2.0525  978.019  120.348  923.182  162.646  1044.37  178.908   29.416   2.8484   31.179   2.9560 -1.763065 4.105020 
1 1 1  -14    3    1 o   95.050   0.7930  8765.02  146.258  8599.57  203.193  8942.92  210.691   94.120   1.1121   95.980   1.1308 -1.860237 1.586083 
1 1 1  -14    3    2 o  202.584   1.2892 39825.65  506.787 38855.15  705.196 40862.20  728.797  200.033   1.8161  205.134   1.8302 -5.100510 2.578366 
1 1 1  -14    3    3 o  180.650   1.2148 31685.76  425.965 31499.97  598.071 31877.03  606.835  180.113   1.7106  181.187   1.7254 -1.074127 2.429593 
1 1 1  -14    3    4 o  136.025   1.0044 17963.86  265.202 17899.51  374.402 18028.66  375.707  135.781   1.4205  136.270   1.4203 -0.4889526 2.008746 
1 1 1  -14    3    5 o   81.651   0.7119  6470.68  112.823  6400.54  158.107  6543.44  161.046   81.200   1.0031   82.101   1.0105 -0.9013519 1.423811 
1 1 1  -14    3    6 o  290.348   1.5583 81889.63  878.271 81870.23  1243.17 81908.95  1240.95  290.313   2.2060  290.382   2.2015 -0.6912231E-01 3.116562 
1 1 1  -14    3    7 o  247.527   1.4385 59510.67  691.156 59995.31  982.120 59035.15  972.830  248.526   2.0358  246.529   2.0328 1.996460 2.876942 
1 1 1  -14    3    8 o   90.245   0.7673  7906.21  134.421  7959.74  191.044  7853.73  189.170   90.548   1.0869   89.943   1.0835 0.6049500 1.534694 
1 1 1  -14    3    9 o   74.303   0.6687  5359.06   96.449  5406.58  137.436  5312.94  135.387   74.627   0.9487   73.978   0.9428 0.6489716 1.337492 
1 1 1  -14    3   10 o   60.004   0.6094  3495.08   70.970  3505.69  101.139  3484.79   99.613   60.094   0.8670   59.915   0.8565 0.1792717 1.218715 
1 1 1  -14    3   11 o  151.162   1.3767 22195.98  403.948 22531.18  574.121 21867.36  568.460  152.293   1.9420  150.032   1.9519 2.260880 2.753425 
1 1 1  -14    3   12 o  111.988   1.1679 12181.59  253.896 12189.12  359.795 12174.12  358.336  112.022   1.6546  111.954   1.6489 0.6867981E-01 2.335891 
1 1 1  -14    3   13 o  142.396   1.3655 19699.30  377.377 19215.40  528.647 20202.12  538.882  140.613   1.9368  144.179   1.9254 -3.566162 2.730986 
1 1 1  -14    3   14 o  130.300   1.3198 16502.94  333.808 16578.78  470.120 16425.82  474.056  130.603   1.8543  129.997   1.8786 0.6062775 2.639642 
1 1 1  -14    3   15 o  162.984   1.4395 25829.73  455.399 25840.54  641.268 25818.73  646.831  163.020   2.0264  162.948   2.0449 0.7150269E-01 2.878919 
1 1 1  -14    3   16 o  111.693   1.2021 12125.39  260.622 12106.25  366.720 12144.93  370.459  111.605   1.6927  111.781   1.7073 -0.1768188 2.404195 
1 1 1  -14    3   17 o   36.897   0.8149  1320.09   58.313  1380.08   84.623  1265.85   80.468   37.694   1.1565   36.101   1.1483 1.593475 1.629733 
1 1 1  -14    3   18 o   39.428   0.8618  1496.41   65.600  1642.40   99.347  1383.54   87.351   41.117   1.2447   37.739   1.1924 3.377617 1.723690 
1 1 1  -14    3   19 o   45.319   0.8564  1991.62   75.091  2039.26  111.386  1951.93  101.668   45.814   1.2525   44.825   1.1684 0.9886742 1.712867 
1 1 1  -14    3   20 o   15.265   1.8841  231.726   54.112  226.021   81.407  236.242   72.429   14.961   2.9077   15.568   2.3967 -0.6068792 3.768138 
1 1 1  -14    3   21 o   52.225   3.0671  2324.64  128.867  3127.51  648.193  2291.60  131.492   55.900   5.9735   48.549   1.3952 7.350483 6.134288 
1 1 1  -14    3   22 o   35.571   4.7970  1288.65  112.414  1314.75  655.107  1287.85  114.107   34.761   9.4571   36.382   1.6157 -1.620331 9.594082 
1 1 1  -14    3   23 o   34.196   1.2552  1145.31   82.431  1091.29  124.370  1187.63  110.084   33.463   1.9146   34.929   1.6236 -1.465858 2.510335 
1 1 1  -14    3   24 o   41.204   1.1313  1647.40   90.274  1814.18  131.739  1499.76  123.950   43.165   1.5722   39.242   1.6271 3.922852 2.262636 
1 1 1  -14    3   25 o   33.959   1.3510  1125.56   89.011  1103.32  123.487  1149.61  128.419   33.612   1.8926   34.306   1.9284 -0.6937637 2.701982 
1 1 1  -14    3   26 o   28.677   1.6281  809.128   90.432  833.449  125.051  782.465  130.931   29.143   2.2105   28.211   2.3909 0.9316540 3.256164 
1 1 1  -14    3   27 o   9.0401   2.7314  -0.5569   86.175   39.652  121.291 -41.5427  122.457   9.7512   4.0023   8.3290   3.7181 1.422284 5.462862 
1 1 1  -14    3   28 f   17.372   2.6270  318.699   85.920  307.430  121.230  330.072  121.789   17.042   3.7650   17.703   3.6647 -0.6616154 5.254089 
1 1 1  -14    3   29 o   14.783   2.8759  238.856   85.309  220.588  121.838  256.426  119.487   14.233   4.1527   15.333   3.9798 -1.099509 5.751803 
1 1 1  -14    3   30 o   14.619   3.0107  239.636   90.818  214.765  138.089  258.594  120.560   13.958   4.4891   15.279   4.0130 -1.321249 6.021371 
1 1 1  -14    3   31 o   9.3621   2.8755   11.668   97.507 -17.8102  134.965   43.852  141.024   8.7785   3.9122   9.9457   4.2153 -1.167193 5.750994 
1 1 1  -14    3   32 o   13.396   3.1060  207.691   99.369  111.754  145.113  292.395  136.353   11.135   4.4471   15.656   4.3373 -4.520359 6.212031 
1 1 1  -14    3   33 o   19.645   3.1813  478.909  118.808  507.229  167.886  450.498  168.153   20.372   4.3760   18.919   4.6189 1.452419 6.362645 
1 1 1  -14    4    1 o  277.623   1.5152 74859.00  816.566 74764.03  1151.27 74955.15  1158.36  277.446   2.1376  277.799   2.1481 -0.3534546 3.030455 
1 1 1  -14    4    2 o  163.339   1.1421 25904.15  362.111 25776.92  510.188 26033.31  514.037  162.935   1.6131  163.743   1.6172 -0.8081512 2.284149 
1 1 1  -14    4    3 o  220.287   1.3327 47123.88  569.860 47140.03  804.089 47107.58  807.731  220.325   1.8801  220.248   1.8892 0.7638550E-01 2.665323 
1 1 1  -14    4    4 o  228.298   1.3870 50616.75  614.686 50589.49  867.019 50644.30  871.594  228.237   1.9569  228.360   1.9662 -0.1229706 2.774091 
1 1 1  -14    4    5 o  137.162   1.0158 18263.36  270.421 18439.08  385.896 18093.81  379.062  137.810   1.4425  136.514   1.4304 1.295944 2.031513 
1 1 1  -14    4    6 o  181.023   1.2226 31820.69  429.583 31718.20  603.545 31925.92  611.581  180.728   1.7204  181.318   1.7376 -0.5898895 2.445171 
1 1 1  -14    4    7 o  159.555   1.1173 24720.40  346.044 24794.91  491.050 24646.89  487.728  159.793   1.5831  159.316   1.5771 0.4773712 2.234570 
1 1 1  -14    4    8 o  113.537   0.9030 12514.94  199.016 12653.86  282.988 12379.00  279.940  114.161   1.2770  112.914   1.2772 1.246666 1.806071 
1 1 1  -14    4    9 o   27.451   0.6908  732.639   36.757  768.880   51.551  695.161   52.424   28.143   0.9436   26.759   1.0092 1.383539 1.381667 
1 1 1  -14    4   10 f  168.006   1.1773 27407.92  383.895 27773.93  548.434 27056.30  537.547  169.105   1.6707  166.907   1.6591 2.198227 2.354564 
1 1 1  -14    4   11 f   73.735   0.9148  5276.91  130.891  5093.77  183.262  5467.63  187.012   72.429   1.3034   75.040   1.2838 -2.611374 1.829537 
1 1 1  -14    4   12 o   55.684   0.7946  3008.54   85.795  3051.79  124.619  2969.56  118.294   56.063   1.1451   55.304   1.1019 0.7597618 1.589157 
1 1 1  -14    4   13 o  158.078   1.4087 24273.71  432.141 23705.02  602.226 24877.35  620.459  156.171   1.9865  159.985   1.9979 -3.813812 2.817409 
1 1 1  -14    4   14 o   47.705   0.7782  2211.86   72.000  2123.26  102.455  2298.32  101.204   46.759   1.1288   48.650   1.0716 -1.890743 1.556439 
1 1 1  -14    4   15 o   99.048   1.1151  9528.30  214.352  9329.10  299.306  9738.04  307.123   97.986   1.5736  100.110   1.5804 -2.124107 2.230209 
1 1 1  -14    4   16 o   52.483   0.8223  2677.51   83.686  2613.67  120.224  2737.52  116.561   51.875   1.1939   53.092   1.1310 -1.216793 1.644559 
1 1 1  -14    4   17 o   47.500   0.7850  2191.59   72.371  2171.35  102.689  2211.55  102.010   47.282   1.1188   47.718   1.1013 -0.4361839 1.569903 
1 1 1  -14    4   18 o   88.000   1.0644  7520.50  181.703  7692.75  262.715  7362.54  251.580   88.964   1.5213   87.036   1.4891 1.927719 2.128737 
1 1 1  -14    4   19 o  101.339   1.1544  9980.34  226.986 10132.97  327.012  9838.43  315.322  102.084   1.6502  100.593   1.6148 1.490784 2.308848 
1 1 1  -14    4   20 o  102.699   1.2055 10259.08  240.185 10255.80  345.402 10262.16  334.218  102.679   1.7329  102.719   1.6762 -0.3917694E-01 2.410913 
1 1 1  -14    4   21 o   85.312   3.4427  7281.43  558.336  6834.15  866.998  7598.37  729.817   82.854   5.3906   87.770   4.2835 -4.916122 6.885331 
1 1 1  -14    4   22 o   49.115   4.0345  2297.97  132.928  2541.27  766.098  2290.41  134.976   49.700   7.9407   48.531   1.4328 1.169693 8.068953 
1 1 1  -14    4   23 o   42.264   1.0456  1739.52   85.651  1706.70  123.988  1769.47  118.458   41.879   1.5252   42.649   1.4308 -0.7697792 2.091271 
1 1 1  -14    4   24 o   14.301   2.5787  204.071   74.012  291.888  109.395  129.945  100.507   16.915   3.4485   11.687   3.8350 5.228742 5.157500 
1 1 1  -14    4   25 o   29.247   1.5276  836.872   86.607  778.907  121.253  897.246  123.746   28.207   2.2144   30.287   2.1048 -2.079515 3.055136 
1 1 1  -14    4   26 o   35.315   1.4104  1220.25   96.638  1179.18  134.108  1264.60  139.378   34.699   1.9910   35.932   1.9982 -1.233574 2.820843 
1 1 1  -14    4   27 o   32.294   1.5500  1028.51   96.538  884.348  134.915  1179.77  138.195   29.943   2.3211   34.644   2.0549 -4.701536 3.100060 
1 1 1  -14    4   28 o   18.891   2.4982  371.585   88.998  440.832  125.990  302.619  125.735   20.927   3.1015   16.856   3.9173 4.071165 4.996456 
1 1 1  -14    4   29 o   51.174   1.1162  2576.52  110.859  2556.48  158.141  2595.88  155.450   50.970   1.5983   51.379   1.5586 -0.4084282 2.232477 
1 1 1  -14    4   30 f   21.177   2.1503  463.553   87.778  428.783  128.387  494.071  120.282   20.343   3.2512   22.012   2.8150 -1.668816 4.300530 
1 1 1  -14    4   31 o   14.844   3.1033  243.402  100.834  371.506  150.498  139.054  135.829   17.901   4.3693   11.788   4.4079 6.113189 6.206538 
1 1 1  -14    4   32 o   25.749   2.1026  700.295  104.546  700.124  155.660  700.436  141.109   25.635   3.1281   25.864   2.8106 -0.2283516 4.205276 
1 1 1  -14    4   33 f   29.384   2.0756  925.653  118.020  1020.02  169.386  836.621  164.531   30.946   2.8197   27.821   3.0466 3.125605 4.151185 
1 1 1  -14    5    1 o  193.724   1.2770 36445.40  480.175 35996.47  679.336 36893.63  678.804  192.531   1.8177  194.917   1.7940 -2.385803 2.553927 
1 1 1  -14    5    2 o  155.246   1.1209 23394.87  337.673 23171.31  470.308 23632.73  485.120  154.481   1.5683  156.011   1.6019 -1.529266 2.241809 
1 1 1  -14    5    3 o  148.481   1.0884 21402.14  313.680 21172.52  439.521 21640.52  447.818  147.669   1.5333  149.292   1.5453 -1.622696 2.176872 
1 1 1  -14    5    4 o  166.320   1.1916 26861.08  384.710 27036.38  544.169 26685.91  543.956  166.863   1.6800  165.778   1.6903 1.085510 2.383193 
1 1 1  -14    5    5 o  242.036   1.4180 56893.97  666.190 56475.00  938.964 57318.66  945.339  241.138   2.0059  242.933   2.0046 -1.794556 2.835907 
1 1 1  -14    5    6 o  209.494   1.3241 42623.69  538.445 42699.49  761.242 42547.80  761.710  209.681   1.8702  209.307   1.8747 0.3730774 2.648105 
1 1 1  -14    5    7 o  157.001   1.1210 23935.33  341.645 24049.73  485.712 23823.31  480.645  157.372   1.5900  156.630   1.5808 0.7420807 2.242091 
1 1 1  -14    5    8 o  136.340   1.0081 18048.60  266.805 17892.72  375.070 18208.29  379.609  135.745   1.4234  136.936   1.4281 -1.191605 2.016299 
1 1 1  -14    5    9 o   99.835   0.8119  9675.93  157.332  9584.61  221.124  9769.56  223.904   99.358   1.1465  100.312   1.1499 -0.9539108 1.623763 
1 1 1  -14    5   10 o  147.115   1.0809 21018.23  308.660 20952.91  437.626 21082.88  435.404  146.887   1.5348  147.342   1.5223 -0.4555054 2.161720 
1 1 1  -14    5   11 o  107.273   1.1589 11176.69  241.298 11382.34  341.771 10972.30  340.724  108.257   1.6263  106.289   1.6514 1.968872 2.317780 
1 1 1  -14    5   12 o  225.749   1.6473 49535.38  721.796 48453.50  1015.18 50641.45  1026.47  223.255   2.3425  228.244   2.3168 -4.988876 3.294627 
1 1 1  -14    5   13 o   72.952   0.9220  5168.04  130.560  5077.03  183.678  5260.98  185.616   72.303   1.3087   73.601   1.2992 -1.298477 1.844050 
1 1 1  -14    5   14 o   57.385   0.8156  3199.66   90.794  3143.36  130.098  3253.11  126.770   56.892   1.1780   57.878   1.1283 -0.9861145 1.631210 
1 1 1  -14    5   15 o  195.234   1.6011 37080.45  606.797 37242.90  859.640 36919.12  856.648  195.661   2.2633  194.808   2.2653 0.8527679 3.202247 
1 1 1  -14    5   16 o   37.226   0.8274  1349.55   59.514  1303.34   87.614  1389.14   81.095   36.631   1.2321   37.820   1.1046 -1.189262 1.654784 
1 1 1  -14    5   17 o   62.673   0.8544  3809.24  103.838  3954.99  151.072  3678.72  142.960   63.807   1.2197   61.539   1.1967 2.268002 1.708745 
1 1 1  -14    5   18 o  119.188   1.2833 13813.55  296.882 14010.59  423.158 13622.54  416.629  120.024   1.8162  118.351   1.8135 1.673439 2.566583 
1 1 1  -14    5   19 o  169.465   1.5932 27968.43  524.096 28185.11  741.929 27752.62  740.440  170.122   2.2467  168.809   2.2596 1.313538 3.186408 
1 1 1  -14    5   20 o   87.715   0.9376  7461.07  150.089  7525.58  261.924  7429.53  183.139   87.977   1.5337   87.453   1.0788 0.5243912 1.875110 
1 1 1  -14    5   21 o   48.266   0.8939  2245.01   82.560  2156.00  107.099  2375.36  129.609   47.102   1.1713   49.430   1.3508 -2.328136 1.787899 
1 1 1  -14    5   22 o   59.887   3.5803  3589.55  162.944  3539.62  804.057  3591.68  166.397   59.001   7.0204   60.774   1.4105 -1.772514 7.160697 
1 1 1  -14    5   23 o   21.720   5.6503  232.519   97.712  767.336  809.848  224.618   98.431   28.619   10.751   14.821   3.4806 13.79811 11.30060 
1 1 1  -14    5   24 o   25.709   1.6313  644.365   81.249  704.362  117.885  590.074  112.139   26.849   2.2618   24.568   2.3513 2.281202 3.262609 
1 1 1  -14    5   25 o   51.925   1.1117  2627.79  112.018  2727.83  159.738  2530.99  157.129   52.900   1.5556   50.951   1.5887 1.949116 2.223460 
1 1 1  -14    5   26 o   39.262   1.3485  1498.37  102.382  1688.62  151.664  1339.08  138.772   41.541   1.8808   36.984   1.9330 4.556847 2.696989 
1 1 1  -14    5   27 o   48.827   1.2416  2335.03  117.425  2345.43  172.008  2325.96  160.698   48.914   1.8116   48.740   1.6985 0.1741867 2.483261 
1 1 1  -14    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14    5   29 o   12.277   2.7434  145.560   82.735   27.013  119.506  254.678  114.654   9.2547   3.8990   15.300   3.8605 -6.045316 5.486862 
1 1 1  -14    5   30 o   27.959   1.6876  785.896   91.549  810.487  131.900  763.036  127.170   28.378   2.3944   27.541   2.3787 0.8368206 3.375121 
1 1 1  -14    5   31 o   13.001   3.0010  177.050   96.823   52.493  138.879  294.845  135.056   10.037   4.2146   15.964   4.2734 -5.927145 6.002088 
1 1 1  -14    5   32 o   9.5486   2.9499   13.386  103.059   69.822  157.634 -28.7453  136.200   10.568   4.4666   8.5288   3.8546 2.039452 5.899864 
1 1 1  -14    6    1 o   86.941   0.7567  7338.19  127.705  7429.47  180.439  7246.59  180.765   87.483   1.0625   86.399   1.0778 1.083618 1.513488 
1 1 1  -14    6    2 o  218.064   1.3414 46176.40  567.785 45784.92  798.935 46575.88  807.065  217.130   1.8955  218.998   1.8985 -1.867310 2.682749 
1 1 1  -14    6    3 o   46.494   4.4234  3052.77   92.037  3091.12   93.077  1364.94  617.466   56.431   0.8497   36.556   8.8059 19.87431 8.846766 
1 1 1  -14    6    4 o  185.586   1.2251 33445.90  441.331 33339.49  624.930 33551.77  623.346  185.291   1.7374  185.881   1.7275 -0.5894775 2.450128 
1 1 1  -14    6    5 o  205.109   1.3252 40855.37  527.633 40533.82  743.751 41181.16  748.645  204.296   1.8754  205.921   1.8729 -1.625046 2.650459 
1 1 1  -14    6    6 o  120.989   0.9266 14210.21  217.599 14331.06  310.761 14093.95  304.788  121.493   1.3177  120.484   1.3032 1.008812 1.853253 
1 1 1  -14    6    7 o  115.383   0.8977 12919.38  200.988 12700.47  279.587 13153.50  289.134  114.372   1.2593  116.394   1.2797 -2.021400 1.795401 
1 1 1  -14    6    8 o  108.669   0.8692 11462.27  183.333 11286.79  256.485 11645.58  262.151  107.818   1.2255  109.519   1.2331 -1.700081 1.738482 
1 1 1  -14    6    9 o  159.423   1.1278 24683.16  349.001 24657.81  492.208 24708.80  494.926  159.341   1.5913  159.505   1.5985 -0.1642303 2.255510 
1 1 1  -14    6   10 o  104.634   0.8548 10629.02  173.622 10520.10  244.229 10740.31  246.868  104.092   1.2087  105.176   1.2092 -1.083794 1.709678 
1 1 1  -14    6   11 o  132.570   1.3234 17071.94  340.561 16836.68  479.926 17310.56  483.345  131.650   1.8780  133.490   1.8653 -1.840607 2.646887 
1 1 1  -14    6   12 o  129.361   1.2718 16255.56  319.283 16348.91  457.118 16166.63  446.152  129.722   1.8153  128.999   1.7817 0.7228546 2.543562 
1 1 1  -14    6   13 o   64.192   0.8435  4004.02  104.936  3954.31  152.232  4049.03  144.847   63.811   1.2290   64.573   1.1556 -0.7617950 1.686926 
1 1 1  -14    6   14 f   82.052   0.9756  6540.85  155.371  6454.04  220.710  6626.14  218.758   81.512   1.3949   82.593   1.3644 -1.081085 1.951256 
1 1 1  -14    6   15 o   46.753   0.7856  2125.67   71.177  2063.18  102.813  2183.18   98.636   46.091   1.1491   47.415   1.0717 -1.323284 1.571278 
1 1 1  -14    6   16 o   81.542   0.9843  6449.68  155.591  6643.43  227.147  6278.42  213.559   82.692   1.4151   80.391   1.3685 2.301270 1.968550 
1 1 1  -14    6   17 o   87.296   1.0230  7400.27  173.285  7605.69  249.211  7207.98  241.114   88.468   1.4512   86.124   1.4422 2.343475 2.045943 
1 1 1  -14    6   18 o   66.301   0.9099  4270.35  117.035  4285.48  168.616  4256.29  162.573   66.413   1.3079   66.189   1.2653 0.2243195 1.819806 
1 1 1  -14    6   19 o   67.791   0.9218  4467.54  121.243  4328.88  172.019  4604.43  170.915   66.744   1.3277   68.838   1.2790 -2.094391 1.843560 
1 1 1  -14    6   20 o   70.082   0.8366  4809.18  108.074  4652.51  182.890  4893.24  133.967   69.187   1.3618   70.978   0.9723 -1.791733 1.673259 
1 1 1  -14    6   21 o   38.564   0.9700  1454.48   71.923  1517.39   96.587  1376.19  107.755   39.511   1.2593   37.618   1.4756 1.893353 1.939949 
1 1 1  -14    6   22 o   40.021   5.5965  1488.20  114.024  1894.76  904.099  1481.62  114.942   41.015   11.090   39.026   1.5172 1.988815 11.19291 
1 1 1  -14    6   23 o   42.628   4.0236  1280.36  111.257  2531.51  755.726  1252.65  112.482   49.383   7.8835   35.873   1.6153 13.51073 8.047263 
1 1 1  -14    6   24 o   39.042   1.2382  1495.44   93.140  1377.28  136.794  1597.56  127.170   37.583   1.8751   40.501   1.6176 -2.918068 2.476358 
1 1 1  -14    6   25 o   26.709   1.6585  699.978   85.886  662.362  121.641  737.373  121.282   25.986   2.4115   27.433   2.2775 -1.447540 3.316931 
1 1 1  -14    6   26 o   36.338   1.3839  1292.02   96.773  1530.73  140.291  1075.32  133.665   39.558   1.8270   33.117   2.0792 6.440742 2.767835 
1 1 1  -14    6   27 o   25.654   1.8710  652.972   93.109  637.732  133.137  667.560  130.262   25.349   2.7057   25.960   2.5850 -0.6110401 3.742018 
1 1 1  -14    6   28 o   35.642   1.3984  1257.71   96.132  1196.67  142.133  1309.17  130.510   34.806   2.1037   36.479   1.8431 -1.673367 2.796848 
1 1 1  -14    6   29 o   10.288   2.8660   77.064   84.103   55.220  129.733   92.899  110.456   10.099   4.1415   10.476   3.9628 -0.3770657 5.731980 
1 1 1  -14    6   30 o   27.172   1.7690  748.092   92.966  708.508  134.841  783.954  128.346   26.430   2.6283   27.914   2.3686 -1.484789 3.538068 
1 1 1  -14    6   31 o   21.520   2.4414  499.949   99.448  536.054  139.810  462.973  141.487   22.558   3.1928   20.483   3.6943 2.074820 4.882863 
1 1 1  -14    6   32 o   31.514   1.8136  1027.62  110.784  1103.90  158.925  955.513  154.512   32.697   2.5039   30.331   2.6243 2.366371 3.627208 
1 1 1  -14    7    1 f  121.631   0.9316 14362.47  219.952 14554.78  312.178 14172.90  309.952  122.440   1.3135  120.823   1.3215 1.617142 1.863236 
1 1 1  -14    7    2 o  177.759   1.2057 30683.82  416.047 30555.18  588.409 30812.42  588.349  177.386   1.7088  178.132   1.7015 -0.7454987 2.411448 
1 1 1  -14    7    3 o  297.890   1.5861 86201.67  917.148 86385.30  1292.11 86015.21  1302.03  298.211   2.2321  297.569   2.2541 0.6418762 3.172236 
1 1 1  -14    7    4 o  317.128   1.6253 97685.25  1000.43 96591.39  1403.79 98814.22  1426.13  315.325   2.2934  318.931   2.3035 -3.606323 3.250531 
1 1 1  -14    7    5 f  151.131   1.0953 22168.88  321.250 21728.92  448.590 22632.06  460.269  149.592   1.5448  152.669   1.5531 -3.076813 2.190552 
1 1 1  -14    7    6 o   55.929   0.5848  3035.68   63.475  3006.00   88.580  3066.99   91.002   55.648   0.8200   56.209   0.8340 -0.5615959 1.169625 
1 1 1  -14    7    7 o  186.400   1.2531 33745.88  453.425 33650.81  640.347 33841.48  642.136  186.137   1.7722  186.664   1.7722 -0.5265961 2.506252 
1 1 1  -14    7    8 o   18.315   0.9633  325.856   33.789  258.588   46.575  400.594   49.093   16.318   1.4703   20.312   1.2451 -3.993792 1.926672 
1 1 1  -14    7    9 o  132.456   1.0140 17036.24  260.704 16946.41  366.820 17127.93  370.591  132.104   1.4305  132.809   1.4375 -0.7052917 2.027942 
1 1 1  -14    7   10 o  111.996   0.8911 12178.27  193.720 12231.73  275.639 12126.08  272.315  112.239   1.2651  111.754   1.2553 0.4854202 1.782210 
1 1 1  -14    7   11 o  124.680   1.2457 15099.98  301.505 15106.13  426.514 15093.84  426.271  124.706   1.7619  124.655   1.7616 0.5073547E-01 2.491501 
1 1 1  -14    7   12 o   79.143   0.9562  6081.36  146.859  6142.73  210.585  6023.24  204.913   79.531   1.3640   78.755   1.3404 0.7765350 1.912377 
1 1 1  -14    7   13 o   64.012   0.8516  3958.80  105.210  4161.79  159.028  3800.80  140.304   65.462   1.2515   62.562   1.1553 2.900711 1.703197 
1 1 1  -14    7   14 o  137.400   1.3672 18352.04  364.640 18406.62  519.088 18298.87  512.336  137.601   1.9434  137.200   1.9237 0.4011230 2.734459 
1 1 1  -14    7   15 o   92.300   1.0636  8275.70  190.522  8363.08  272.602  8192.26  266.384   92.775   1.5137   91.824   1.4945 0.9511490 2.127110 
1 1 1  -14    7   16 o   87.354   1.0495  7413.98  177.922  7208.06  250.571  7623.38  252.683   86.129   1.4987   88.578   1.4696 -2.448524 2.098969 
1 1 1  -14    7   17 o   91.541   1.0694  8143.07  189.962  8190.53  272.626  8098.28  264.836   91.799   1.5299   91.283   1.4946 0.5155334 2.138790 
1 1 1  -14    7   18 o  159.995   1.5100 24909.90  468.902 24266.60  657.781 25574.54  668.606  157.893   2.1461  162.097   2.1249 -4.203888 3.020066 
1 1 1  -14    7   19 o   27.312   0.9270  733.295   45.518  702.201   80.646  747.831   55.141   26.876   1.5458   27.748   1.0237 -0.8721504 1.854067 
1 1 1  -14    7   20 o   86.809   0.9389  7390.14  150.387  7107.60  253.515  7543.54  186.804   85.498   1.5275   88.120   1.0921 -2.621338 1.877729 
1 1 1  -14    7   21 o   16.563   2.1558  290.072   65.665  419.612   91.564  152.900   94.222   20.743   2.2740   12.382   3.6631 8.360641 4.311525 
1 1 1  -14    7   22 o   15.021   4.4993  152.268   93.328 -1067.6479  808.409  168.747   93.957   17.127   8.2434   12.916   3.6084 4.211200 8.998533 
1 1 1  -14    7   23 o   34.366   5.5139  1228.42  115.341  1213.14  811.557  1228.73  116.524   33.208   10.898   35.523   1.6898 -2.314983 11.02788 
1 1 1  -14    7   24 o   60.535   1.0365  3544.56  121.349  3829.72  181.428  3313.71  163.237   62.722   1.4901   58.349   1.4412 4.372696 2.073028 
1 1 1  -14    7   25 o   45.395   1.1326  1999.21   99.540  2189.84  146.885  1837.31  135.363   47.386   1.5968   43.403   1.6066 3.982735 2.265192 
1 1 1  -14    7   26 o   19.647   2.1744  383.576   82.767  374.480  119.942  391.845  114.357   19.408   3.1836   19.885   2.9626 -0.4764538 4.348815 
1 1 1  -14    7   27 o   56.665   1.0967  3140.70  120.504  3122.44  174.231  3157.45  166.846   56.497   1.5887   56.833   1.5123 -0.3366585 2.193404 
1 1 1  -14    7   28 o   32.088   1.4774  1023.72   91.421  931.049  132.772  1107.26  126.065   30.659   2.2309   33.518   1.9376 -2.858456 2.954840 
1 1 1  -14    7   29 o   24.129   1.8813  592.540   87.092  496.794  123.963  685.865  122.386   22.105   2.8890   26.153   2.4107 -4.048828 3.762654 
1 1 1  -14    7   30 o   21.789   2.1560  488.896   90.996  493.801  133.284  484.613  124.536   21.852   3.1422   21.725   2.9530 0.1261177 4.311999 
1 1 1  -14    7   31 o   31.445   1.8087  1010.60  110.222  1093.24  159.713  935.445  152.305   32.696   2.5164   30.194   2.5986 2.502430 3.617310 
1 1 1  -14    7   32 f   15.692   3.1391  300.769  104.295  204.016  150.246  390.748  144.890   13.170   4.6791   18.214   4.1858 -5.043609 6.278111 
1 1 1  -14    8    1 o  113.288   0.8891 12457.22  195.217 12408.02  268.404 12512.48  284.451  113.051   1.2231  113.525   1.2908 -0.4731903 1.778196 
1 1 1  -14    8    2 o  146.341   1.0755 20796.21  305.488 21025.31  430.619 20564.08  433.446  147.153   1.5075  145.529   1.5343 1.624023 2.150995 
1 1 1  -14    8    3 o  108.303   0.8602 11386.38  180.843 11220.48  254.364 11555.94  257.160  107.506   1.2189  109.101   1.2143 -1.595306 1.720482 
1 1 1  -14    8    4 o  166.624   1.2398 26957.33  398.894 26919.38  537.081 27004.03  595.705  166.498   1.6618  166.750   1.8403 -0.2522888 2.479578 
1 1 1  -14    8    5 o   97.442   0.7995  9213.92  151.195  9399.37  216.734  9038.12  211.025   98.396   1.1347   96.487   1.1267 1.909248 1.599048 
1 1 1  -14    8    6 o  183.223   1.2171 32602.35  432.875 32793.60  614.099 32413.48  610.274  183.757   1.7216  182.689   1.7209 1.068054 2.434180 
1 1 1  -14    8    7 o  169.261   1.1956 27824.21  392.808 28076.48  556.240 27573.25  554.792  170.026   1.6853  168.495   1.6962 1.531342 2.391108 
1 1 1  -14    8    8 o  180.604   1.2197 31677.02  427.570 32061.18  608.560 31302.52  600.863  181.685   1.7255  179.523   1.7242 2.162338 2.439328 
1 1 1  -14    8    9 o  108.840   0.8819 11501.71  186.315 11462.25  262.077 11542.02  264.925  108.652   1.2426  109.029   1.2517 -0.3771057 1.763770 
1 1 1  -14    8   10 o   68.973   0.6416  4617.48   85.889  4662.24  122.786  4574.60  120.186   69.301   0.9127   68.646   0.9019 0.6542511 1.283189 
1 1 1  -14    8   11 o  120.063   1.2377 14003.89  288.420 14297.99  408.047 13710.25  407.728  121.324   1.7326  118.802   1.7680 2.521736 2.475419 
1 1 1  -14    8   12 o   31.853   0.8557  992.343   51.371  954.654   82.445  1016.26   65.680   31.353   1.3546   32.353   1.0458 -0.9997463 1.711373 
1 1 1  -14    8   13 o   97.766   1.0930  9283.31  207.378  9385.76  297.325  9186.25  289.389   98.290   1.5583   97.241   1.5331 1.048782 2.186023 
1 1 1  -14    8   14 o   58.171   0.8287  3286.66   93.252  3280.78  137.646  3291.65  126.779   58.121   1.2200   58.220   1.1218 -0.9909821E-01 1.657359 
1 1 1  -14    8   15 o   79.030   0.9770  6050.46  149.584  6326.47  220.205  5813.96  203.831   80.697   1.4057   77.362   1.3573 3.335159 1.954063 
1 1 1  -14    8   16 o  132.606   1.3566 17098.15  349.214 17149.32  495.000 17047.43  492.735  132.803   1.9201  132.408   1.9170 0.3946991 2.713301 
1 1 1  -14    8   17 o   73.625   0.9344  5266.80  133.469  5267.08  192.127  5266.54  185.551   73.626   1.3443   73.625   1.2983 0.1113892E-02 1.868873 
1 1 1  -14    8   18 o   85.313   1.0300  7072.85  170.562  6950.63  239.852  7197.86  242.593   84.567   1.4611   86.059   1.4522 -1.491562 2.059987 
1 1 1  -14    8   19 o  115.119   1.1071 12810.52  233.611 13107.92  405.557 12662.84  285.786  116.082   1.7998  114.156   1.2897 1.925789 2.214160 
1 1 1  -14    8   20 o   72.445   0.8532  5068.04  112.205  5188.44  198.595  5011.58  135.991   73.059   1.4003   71.831   0.9753 1.228004 1.706496 
1 1 1  -14    8   21 o   19.547   1.8610  385.587   66.895  287.905   95.395  480.096   93.833   16.903   3.0181   22.191   2.1782 -5.288668 3.722056 
1 1 1  -14    8   22 o   39.673   5.6250  1518.95  116.859  1808.08  896.337  1513.96  117.865   39.900   11.144   39.445   1.5393 0.4552307 11.25000 
1 1 1  -14    8   23 o   62.133   3.5061  3884.69  168.202  3811.82  814.195  3887.94  171.911   61.046   6.8708   63.220   1.4008 -2.174511 7.012149 
1 1 1  -14    8   24 o   29.504   10.453  925.439  749.349   0.0000   0.0000  925.439  749.349  ?   ?    29.504   10.453      ?      ? 
1 1 1  -14    8   25 o   38.598   1.2202  1451.60   91.328  1512.80  133.011  1397.01  125.620   39.365   1.7407   37.832   1.7106 1.532764 2.440482 
1 1 1  -14    8   26 o   37.733   1.3066  1378.73   95.086  1524.02  144.871  1268.77  126.032   39.453   1.8916   36.012   1.8029 3.440823 2.613157 
1 1 1  -14    8   27 o   24.573   1.9622  628.622   89.013  460.796  135.275  756.776  118.210   21.433   3.2514   27.712   2.1975 -6.279051 3.924326 
1 1 1  -14    8   28 o   17.247   2.5071  307.935   82.831  428.798  122.165  205.096  112.689   20.614   3.0529   13.880   3.9777 6.734110 5.014208 
1 1 1  -14    8   29 o   38.699   1.3446  1483.08  100.971  1529.12  145.214  1439.99  140.493   39.278   1.9045   38.119   1.8987 1.159496 2.689273 
1 1 1  -14    8   30 o   27.565   1.7653  765.663   93.818  894.941  136.973  651.418  128.763   29.805   2.3675   25.325   2.6193 4.479992 3.530659 
1 1 1  -14    8   31 o   18.977   2.8704  410.181  102.545  432.784  143.502  386.595  146.590   19.629   3.9036   18.325   4.2094 1.303530 5.740825 
1 1 1  -14    8   32 o   10.318   3.0014   53.070  101.747  164.772  150.229 -41.5894  138.294   12.247   4.6242   8.3892   3.8277 3.857597 6.002895 
1 1 1  -14    9    1 o  138.759   1.0023 18672.03  269.080 18425.30  364.750 18966.63  398.568  137.757   1.3640  139.762   1.4691 -2.005066 2.004679 
1 1 1  -14    9    2 o   84.196   0.7253  6881.68  118.540  6860.11  167.218  6903.46  168.066   84.063   1.0247   84.328   1.0267 -0.2651215 1.450581 
1 1 1  -14    9    3 o   21.995   0.8466  470.512   36.081  451.878   51.968  487.856   50.135   21.574   1.2409   22.417   1.1521 -0.8428535 1.693291 
1 1 1  -14    9    4 o  193.025   1.2780 36174.73  478.773 35696.19  668.856 36677.56  685.629  191.717   1.7972  194.333   1.8175 -2.616150 2.556058 
1 1 1  -14    9    5 o   20.255   0.8782  398.628   34.439  362.771   48.367  435.503   49.050   19.330   1.2890   21.180   1.1930 -1.849760 1.756388 
1 1 1  -14    9    6 o   65.534   0.7796  4158.87   93.064  4138.86  113.330  4200.30  163.075   65.296   0.8941   65.773   1.2773 -0.4769363 1.559110 
1 1 1  -14    9    7 o  131.565   0.9975 16804.43  254.713 16341.04  357.607 17281.61  362.887  129.724   1.4201  133.406   1.4013 -3.681946 1.995076 
1 1 1  -14    9    8 f  196.871   1.2704 37646.36  485.476 37519.93  683.446 37775.13  689.731  196.538   1.7914  197.205   1.8018 -0.6663818 2.540758 
1 1 1  -14    9    9 o  142.816   1.0900 19806.12  302.161 19654.41  424.765 19961.54  429.922  142.262   1.5381  143.369   1.5448 -1.106857 2.179955 
1 1 1  -14    9   10 o  138.819   1.0374 18710.88  279.539 18996.71  398.049 18432.73  392.662  139.865   1.4661  137.773   1.4682 2.091904 2.074871 
1 1 1  -14    9   11 f   99.576   1.0976  9622.10  212.060  9334.58  294.810  9930.36  305.260   98.036   1.5491  101.116   1.5552 -3.079941 2.195106 
1 1 1  -14    9   12 o   26.761   0.8900  701.580   44.897  668.811   71.837  722.583   57.513   26.241   1.4103   27.280   1.0861 -1.038261 1.779993 
1 1 1  -14    9   13 f  127.487   1.2676 15796.74  313.633 15725.91  447.382 15865.18  439.803  127.205   1.8118  127.770   1.7732 -0.5655975 2.535141 
1 1 1  -14    9   14 o   97.011   1.1077  9144.56  208.426  9129.76  300.763  9158.23  289.101   96.933   1.5984   97.089   1.5340 -0.1552658 2.215392 
1 1 1  -14    9   15 o  100.862   1.1501  9886.55  225.181  9840.51  318.042  9932.83  318.869  100.626   1.6282  101.098   1.6248 -0.4711761 2.300233 
1 1 1  -14    9   16 o   81.937   0.9974  6520.89  158.582  6592.57  227.660  6453.32  221.025   82.373   1.4238   81.500   1.3971 0.8730316 1.994715 
1 1 1  -14    9   17 o   82.707   1.0122  6644.92  162.376  6711.56  234.892  6583.93  224.713   83.103   1.4561   82.312   1.4064 0.7903824 2.024369 
1 1 1  -14    9   18 o   27.173   1.0385  712.423   53.817  744.906   85.227  690.881   69.405   27.681   1.5861   26.665   1.3409 1.016623 2.076926 
1 1 1  -14    9   19 o   28.234   1.0050  791.047   48.614  739.984   92.806  810.357   57.070   27.583   1.7333   28.884   1.0178 -1.301689 2.010056 
1 1 1  -14    9   20 o   92.241   0.9763  8312.36  165.297  8140.91  283.036  8401.10  203.631   91.492   1.5936   92.989   1.1281 -1.496880 1.952514 
1 1 1  -14    9   21 o   44.665   0.9880  1938.34   85.478  1769.04  119.058  2118.45  122.799   42.651   1.4380   46.679   1.3552 -4.027481 1.975980 
1 1 1  -14    9   22 o   47.834   4.5500  2087.30  124.976  2647.00  831.831  2074.38  126.411   49.489   8.9901   46.180   1.4102 3.308716 9.100002 
1 1 1  -14    9   23 o   55.985   1.4047  3049.14  152.663   0.0000   0.0000  3049.14  152.663  ?   ?    55.985   1.4047      ?      ? 
1 1 1  -14    9   24 o   59.975   1.4543  3501.66  169.319   0.0000   0.0000  3501.66  169.319  ?   ?    59.975   1.4543      ?      ? 
1 1 1  -14    9   25 o   36.333   1.3119  1288.68   92.309  1309.73  135.741  1270.57  125.903   36.602   1.9105   36.065   1.7984 0.5365791 2.623772 
1 1 1  -14    9   26 o   14.313   2.8012  206.980   82.938  290.212  122.069  135.609  113.036   16.669   3.8502   11.956   4.0698 4.712579 5.602415 
1 1 1  -14    9   27 o   57.598   1.1158  3240.95  124.409  3308.59  183.661  3183.61  169.120   58.138   1.6274   57.058   1.5269 1.079739 2.231564 
1 1 1  -14    9   28 o   36.011   1.3229  1270.85   91.897  1339.96  139.333  1217.65  122.257   36.849   1.9479   35.172   1.7907 1.677151 2.645886 
1 1 1  -14    9   29 o   30.102   1.6120  905.296   94.059  975.612  135.808  840.471  130.397   31.240   2.2395   28.965   2.3192 2.274778 3.223961 
1 1 1  -14    9   30 o   25.770   1.8784  679.517   93.408  625.765  135.680  727.946  128.788   24.717   2.8279   26.824   2.4733 -2.107559 3.756885 
1 1 1  -14    9   31 o   36.736   1.5488  1365.15  109.935  1204.23  153.606  1534.13  157.408   34.442   2.2975   39.031   2.0776 -4.589008 3.097550 
1 1 1  -14    9   32 o   9.6894   2.9617   27.766  102.852   87.164  152.252 -22.0944  139.493   10.704   4.4474   8.6743   3.9124 2.030149 5.923337 
1 1 1  -14   10    1 o  135.119   0.9921 17749.54  259.624 18098.23  357.400 17359.95  377.774  136.528   1.3486  133.710   1.4555 2.817719 1.984184 
1 1 1  -14   10    2 o   34.821   0.5959  1176.61   40.265  1137.14   56.405  1217.62   57.498   34.226   0.8490   35.417   0.8363 -1.190536 1.191729 
1 1 1  -14   10    3 f  133.192   1.0109 17225.34  261.357 17396.38  370.123 17055.24  369.107  133.852   1.4245  132.533   1.4347 1.319290 2.021764 
1 1 1  -14   10    4 o  140.148   1.0410 19072.01  283.213 19161.22  401.285 18983.47  399.767  140.475   1.4716  139.822   1.4729 0.6531067 2.082059 
1 1 1  -14   10    5 o   49.018   0.5715  2332.34   54.378  2346.05   77.302  2318.90   76.509   49.161   0.8100   48.876   0.8064 0.2853012 1.142998 
1 1 1  -14   10    6 o  226.266   1.3997 49732.91  614.761 49996.84  872.132 49472.26  866.700  226.862   1.9804  225.669   1.9785 1.193085 2.799360 
1 1 1  -14   10    7 f  151.851   1.0979 22393.48  323.616 22141.96  457.228 22645.97  458.100  150.996   1.5599  152.706   1.5454 -1.709702 2.195810 
1 1 1  -14   10    8 o  137.660   1.0514 18397.57  280.923 18062.32  393.469 18746.15  401.213  136.381   1.4862  138.939   1.4876 -2.557571 2.102829 
1 1 1  -14   10    9 o  114.487   0.8999 12726.07  199.989 12670.21  281.379 12783.09  284.298  114.233   1.2689  114.741   1.2764 -0.5074768 1.799833 
1 1 1  -14   10   10 o   62.709   0.6109  3815.39   74.335  3745.37  103.408  3890.27  106.932   62.114   0.8576   63.304   0.8702 -1.189903 1.221781 
1 1 1  -14   10   11 o  218.770   1.6361 46524.87  694.772 46581.91  985.987 46468.62  979.160  218.902   2.3204  218.637   2.3071 0.2644043 3.272120 
1 1 1  -14   10   12 o  119.446   1.2605 13862.61  292.220 13525.28  411.542 14205.64  415.002  117.979   1.7970  120.912   1.7681 -2.933144 2.520999 
1 1 1  -14   10   13 o   8.8055   1.8938   61.615   38.062  127.095   60.021   17.573   49.225   11.205   2.7741   6.4057   2.5788 4.799538 3.787628 
1 1 1  -14   10   14 o   48.056   0.7738  2245.06   71.278  2227.29  109.626  2258.07   93.815   47.889   1.1793   48.223   1.0022 -0.3338776 1.547594 
1 1 1  -14   10   15 o   76.027   0.9412  5615.20  138.896  5520.71  196.224  5710.09  196.634   75.386   1.3409   76.669   1.3212 -1.283096 1.882459 
1 1 1  -14   10   16 o   95.670   1.1082  8889.04  205.669  9050.29  297.405  8741.24  284.729   96.499   1.5877   94.841   1.5466 1.658737 2.216435 
1 1 1  -14   10   17 o   83.750   1.0401  6816.61  168.947  6818.88  244.001  6814.53  234.157   83.761   1.5007   83.739   1.4405 0.2220917E-01 2.080160 
1 1 1  -14   10   18 o   86.065   0.9238  7272.77  146.550  6951.69  247.165  7446.85  181.991   84.569   1.5056   87.561   1.0707 -2.991570 1.847505 
1 1 1  -14   10   19 o  100.095   1.0463  9850.08  191.502  9405.16  328.240 10079.68  235.791   98.335   1.7196  101.856   1.1925 -3.520683 2.092621 
1 1 1  -14   10   20 o   66.578   0.8401  4274.60   99.859  4390.10  182.375  4225.15  119.338   67.201   1.3980   65.956   0.9321 1.245750 1.680283 
1 1 1  -14   10   21 o  115.902   1.3071 13085.40  293.924 12853.13  420.217 13307.89  411.271  114.887   1.8842  116.916   1.8121 -2.029190 2.614226 
1 1 1  -14   10   22 o   84.463   3.9098  6355.69  232.418  8097.51  1317.49  6299.74  236.121   88.466   7.6720   80.461   1.5118 8.004150 7.819506 
1 1 1  -14   10   23 o   95.613   1.7889  8906.81  332.025   0.0000   0.0000  8906.81  332.025  ?   ?    95.613   1.7889      ?      ? 
1 1 1  -14   10   24 o   82.477   1.6367  6628.15  262.044   0.0000   0.0000  6628.15  262.044  ?   ?    82.477   1.6367      ?      ? 
1 1 1  -14   10   25 o   26.048   1.6738  673.244   83.236  620.733  126.876  712.922  110.288   25.116   2.6024   26.980   2.1058 -1.864275 3.347661 
1 1 1  -14   10   26 o   33.340   1.3820  1099.01   88.611  991.708  130.135  1191.76  120.993   31.782   2.1093   34.897   1.7861 -3.114714 2.763934 
1 1 1  -14   10   27 o   26.467   1.7183  694.716   87.825  675.538  129.899  710.865  119.197   26.101   2.5638   26.833   2.2884 -0.7315636 3.436507 
1 1 1  -14   10   28 o   18.096   2.4421  328.958   82.958  481.641  129.028  221.367  108.312   21.818   3.0465   14.373   3.8176 7.445921 4.884188 
1 1 1  -14   10   29 o   17.241   2.6481  318.350   85.567  366.639  130.810  282.234  113.128   18.371   3.7938   16.112   3.6957 2.258818 5.296285 
1 1 1  -14   10   30 o   16.135   2.8654  285.713   95.315  440.318  140.158  152.693  130.007   20.091   3.7312   12.179   4.3498 7.911738 5.730852 
1 1 1  -14   10   31 o   15.648   3.1084  288.594   97.307  280.066  155.185  294.119  124.916   15.284   4.7389   16.011   4.0238 -0.7269697 6.216781 
1 1 1  -14   10   32 o   28.189   2.0401  841.165  111.543  845.865  161.185  836.846  154.517   28.218   2.9426   28.161   2.8266 0.5667496E-01 4.080272 
1 1 1  -14   11    1 o   81.162   0.7086  6395.12  111.645  6421.19  157.553  6368.83  158.228   81.329   0.9980   80.996   1.0064 0.3324203 1.417292 
1 1 1  -14   11    2 o  100.492   0.8056  9803.02  156.936  9781.36  216.262  9827.12  228.092  100.375   1.1099  100.608   1.1679 -0.2331085 1.611194 
1 1 1  -14   11    3 o   99.615   0.8034  9631.94  155.114  9599.58  213.255  9668.29  226.030   99.438   1.1048   99.792   1.1668 -0.3537827 1.606877 
1 1 1  -14   11    4 o   43.893   0.5624  1870.23   47.923  1862.72   67.759  1877.74   67.788   43.805   0.7969   43.982   0.7940 -0.1762733 1.124897 
1 1 1  -14   11    5 f   43.190   0.5641  1810.69   47.293  1791.88   66.665  1829.76   67.101   42.964   0.7993   43.416   0.7962 -0.4517784 1.128207 
1 1 1  -14   11    6 o  213.331   1.3488 44208.40  558.544 44073.80  787.235 44344.84  792.593  213.005   1.9039  213.658   1.9110 -0.6532898 2.697580 
1 1 1  -14   11    7 o  160.321   1.1372 24959.91  353.904 25180.17  503.742 24745.23  497.311  161.019   1.6116  159.623   1.6050 1.396317 2.274491 
1 1 1  -14   11    8 o  120.553   0.9364 14111.89  219.114 14220.60  309.486 14002.63  310.264  121.019   1.3174  120.087   1.3310 0.9315872 1.872725 
1 1 1  -14   11    9 o  171.130   1.2845 28407.23  423.989 28106.60  567.030 28788.46  638.541  170.112   1.7171  172.148   1.9108 -2.036743 2.569012 
1 1 1  -14   11   10 o  158.211   1.3002 24266.11  388.967 24536.13  627.031 24097.21  495.916  158.910   2.0327  157.513   1.6219 1.396820 2.600474 
1 1 1  -14   11   11 o  126.868   1.2962 15637.66  319.212 15511.55  449.606 15765.84  453.284  126.352   1.8331  127.383   1.8331 -1.031471 2.592409 
1 1 1  -14   11   12 o  118.765   1.2230 13701.85  281.843 13842.93  404.884 13569.21  392.573  119.357   1.7475  118.174   1.7113 1.183144 2.445907 
1 1 1  -14   11   13 o   61.657   0.8256  3690.60   98.465  3707.48  145.706  3676.41  133.582   61.786   1.2149   61.529   1.1184 0.2565346 1.651288 
1 1 1  -14   11   14 o   73.036   0.9251  5173.25  130.736  5278.32  193.652  5085.26  177.216   73.714   1.3533   72.357   1.2617 1.356743 1.850243 
1 1 1  -14   11   15 o   99.970   1.1119  9710.62  215.747  9461.72  303.429  9965.12  306.823   98.673   1.5841  101.266   1.5608 -2.592743 2.223892 
1 1 1  -14   11   16 o   67.324   0.9003  4405.44  117.352  4371.72  171.912  4434.87  160.588   67.081   1.3202   67.568   1.2243 -0.4873734 1.800552 
1 1 1  -14   11   17 o  130.921   1.3274 16671.07  337.339 16861.01  478.975 16484.13  475.185  131.661   1.8741  130.180   1.8804 1.480743 2.654834 
1 1 1  -14   11   18 o  118.052   1.1406 13622.09  248.729 13310.62  420.086 13790.23  308.645  116.976   1.8500  119.129   1.3347 -2.152512 2.281219 
1 1 1  -14   11   19 o   47.850   0.7966  2244.51   65.928  2179.64  125.231  2269.38   77.543   47.357   1.3623   48.342   0.8263 -0.9855919 1.593297 
1 1 1  -14   11   20 o   27.655   1.1260  763.746   57.485  674.970   94.428  816.021   72.460   26.334   1.8472   28.976   1.2882 -2.642107 2.252079 
1 1 1  -14   11   21 o   54.101   0.9331  2845.46   97.957  2946.23  139.098  2746.31  137.973   55.053   1.3016   53.150   1.3373 1.902966 1.866162 
1 1 1  -14   11   22 o   85.458   4.6769  7263.89  775.851   0.0000   0.0000  7263.89  775.851  ?   ?    85.458   4.6769      ?      ? 
1 1 1  -14   11   23 f   68.925   1.4788  4623.30  197.857   0.0000   0.0000  4623.30  197.857  ?   ?    68.925   1.4788      ?      ? 
1 1 1  -14   11   24 f   57.187   1.4479  3184.29  160.736   0.0000   0.0000  3184.29  160.736  ?   ?    57.187   1.4479      ?      ? 
1 1 1  -14   11   25 o   21.990   1.8898  474.005   80.429  506.961  119.554  446.759  108.706   22.680   2.7156   21.301   2.6290 1.379011 3.779687 
1 1 1  -14   11   26 o   37.874   1.2565  1381.54   91.624  1601.43  140.698  1219.62  120.734   40.446   1.7920   35.302   1.7618 5.144257 2.513067 
1 1 1  -14   11   27 o   35.854   1.3052  1243.24   89.439  1366.39  141.807  1161.90  115.253   37.280   1.9595   34.427   1.7246 2.852909 2.610367 
1 1 1  -14   11   28 o   30.653   1.5475  908.496   90.834  1095.66  143.361  782.962  117.408   33.211   2.2237   28.095   2.1528 5.116196 3.095064 
1 1 1  -14   11   29 o   42.813   1.2493  1819.33  103.192  1753.07  152.973  1874.67  139.788   42.044   1.8743   43.581   1.6524 -1.537327 2.498672 
1 1 1  -14   11   30 o   29.907   1.7493  911.433  100.927  844.534  147.215  970.762  138.636   28.780   2.6351   31.033   2.3013 -2.253498 3.498573 
1 1 1  -14   11   31 o   16.897   2.8960  319.427   94.085  419.376  145.638  247.839  123.256   19.171   4.0408   14.624   4.1496 4.547752 5.792005 
1 1 1  -14   11   32 o   27.144   2.1346  788.324  112.415  772.530  160.382  803.578  157.612   26.826   3.0799   27.463   2.9565 -0.6373768 4.269289 
1 1 1  -14   12    1 o  247.410   1.3685 59376.11  651.034 58846.96  861.534 60080.50  994.015  246.141   1.8031  248.680   2.0591 -2.538528 2.737025 
1 1 1  -14   12    2 o  136.665   1.0031 18136.91  265.313 18145.87  361.528 18126.45  390.572  136.704   1.3624  136.626   1.4727 0.7794189E-01 2.006184 
1 1 1  -14   12    3 o   41.016   0.5627  1632.20   44.714  1619.16   61.255  1647.07   65.420   40.841   0.7726   41.191   0.8182 -0.3501358 1.125330 
1 1 1  -14   12    4 o   91.819   0.7811  8185.26  139.225  8122.73  196.954  8247.71  196.833   91.469   1.1092   92.170   1.1001 -0.7011871 1.562273 
1 1 1  -14   12    5 o   90.736   0.7798  7993.19  137.355  7981.23  194.192  8005.18  194.308   90.668   1.1033   90.804   1.1023 -0.1359406 1.559660 
1 1 1  -14   12    6 o   80.449   1.7426  6343.96  151.011  6354.81  157.864  6227.12  518.179   80.906   1.0052   79.993   3.3371 0.9132614 3.485154 
1 1 1  -14   12    7 o  216.526   1.3811 45546.10  580.503 45500.35  819.485 45592.18  822.432  216.417   1.9507  216.635   1.9557 -0.2177582 2.762236 
1 1 1  -14   12    8 o  177.599   1.2358 30631.80  425.983 30412.00  596.547 30860.49  608.492  176.950   1.7367  178.248   1.7586 -1.298355 2.471601 
1 1 1  -14   12    9 o  182.804   1.2639 32460.98  448.478 32340.18  637.455 32579.39  631.080  182.466   1.7997  183.141   1.7751 -0.6755219 2.527860 
1 1 1  -14   12   10 o  160.260   1.3328 25041.71  404.295 24545.06  644.740 25363.54  519.015  158.928   2.0899  161.593   1.6546 -2.664642 2.665564 
1 1 1  -14   12   11 o  228.497   1.6852 50768.29  747.456 50387.20  1051.80 51157.11  1062.41  227.632   2.3803  229.363   2.3862 -1.731430 3.370419 
1 1 1  -14   12   12 o   37.044   0.8092  1342.16   55.647  1299.39   92.772  1366.20   69.548   36.577   1.3066   37.511   0.9551 -0.9344177 1.618485 
1 1 1  -14   12   13 o   22.621   0.9913  503.908   42.310  465.902   66.923  529.214   54.608   21.898   1.5744   23.343   1.2051 -1.445599 1.982657 
1 1 1  -14   12   14 o   39.461   0.7976  1539.54   58.692  1408.45   95.270  1619.73   74.511   38.079   1.2889   40.843   0.9398 -2.763775 1.595132 
1 1 1  -14   12   15 o   70.377   0.9023  4813.35  122.950  4777.51  180.083  4844.64  168.271   70.129   1.3228   70.624   1.2274 -0.4951782 1.804574 
1 1 1  -14   12   16 o   59.058   0.8547  3381.59   97.379  3446.03  146.732  3330.87  130.179   59.558   1.2692   58.559   1.1452 0.9984550 1.709465 
1 1 1  -14   12   17 o   27.274   1.0150  771.025   43.583  640.981   91.026  809.705   49.643   25.672   1.8266   28.876   0.8856 -3.204319 2.029968 
1 1 1  -14   12   18 o   70.831   0.8487  4824.78  107.100  4998.10  196.724  4751.77  127.680   71.713   1.4132   69.949   0.9403 1.763626 1.697427 
1 1 1  -14   12   19 o   31.825   0.9603  986.911   50.593  979.454  103.287  989.265   58.032   31.734   1.6767   31.915   0.9367 -0.1813316 1.920611 
1 1 1  -14   12   20 o   10.611   2.1062   76.392   43.865  205.086   87.662   33.405   50.664   14.192   3.2517   7.0306   2.6780 7.161757 4.212467 
1 1 1  -14   12   21 o   87.290   1.1123  7414.50  187.841  7386.23  276.887  7438.60  255.675   87.127   1.6371   87.452   1.5061 -0.3249817 2.224526 
1 1 1  -14   12   22 o  111.771   1.4217 12177.48  308.434 12434.12  439.948 11929.42  432.529  112.930   2.0069  110.613   2.0144 2.317482 2.843494 
1 1 1  -14   12   23 o   43.576   1.4532  1847.90  122.923   0.0000   0.0000  1847.90  122.923  ?   ?    43.576   1.4532      ?      ? 
1 1 1  -14   12   24 o   34.004   1.6912  1127.39  111.632   0.0000   0.0000  1127.39  111.632  ?   ?    34.004   1.6912      ?      ? 
1 1 1  -14   12   25 o   35.120   1.7529  1205.04  119.505   0.0000   0.0000  1205.04  119.505  ?   ?    35.120   1.7529      ?      ? 
1 1 1  -14   12   26 o   41.204   1.2041  1669.55   95.555  1583.81  142.186  1740.17  129.039   40.211   1.8216   42.197   1.5753 -1.986767 2.408298 
1 1 1  -14   12   27 o   35.551   1.3621  1262.43   92.304  1105.50  138.717  1387.13  123.653   33.485   2.1341   37.618   1.6934 -4.132191 2.724285 
1 1 1  -14   12   28 o   23.200   1.8894  528.764   84.095  626.062  131.668  461.729  109.290   24.949   2.7187   21.452   2.6246 3.497614 3.778824 
1 1 1  -14   12   29 f   28.349   1.7379  812.665   94.660  783.575  142.820  835.456  126.414   27.813   2.6453   28.885   2.2546 -1.071756 3.475759 
1 1 1  -14   12   30 o   14.504   2.5602  238.013   90.607   1.9837  141.170  403.358  118.156   9.3151   4.0823   19.694   3.0907 -10.37870 5.120347 
1 1 1  -14   12   31 o   9.6490   2.9339   32.952   98.976   19.383  148.170   43.885  133.001   9.6333   4.2030   9.6646   4.0947 -0.3136158E-01 5.867893 
1 1 1  -14   12   32 o   21.445   2.7560  535.034  110.649  451.208  160.728  610.552  152.554   19.266   4.3949   23.624   3.3266 -4.357777 5.511922 
1 1 1  -14   13    1 o  105.550   0.8412 10818.70  172.077 10852.06  236.993 10781.49  250.256  105.723   1.1548  105.377   1.2234 0.3463287 1.682337 
1 1 1  -14   13    2 o   26.358   0.7913  682.676   39.982  604.286   59.151  748.618   54.252   24.948   1.2214   27.769   1.0064 -2.821495 1.582666 
1 1 1  -14   13    3 o   43.106   0.5754  1804.34   48.130  1860.28   68.001  1748.18   68.131   43.776   0.8002   42.437   0.8271 1.339684 1.150824 
1 1 1  -14   13    4 o  187.626   1.1946 34125.10  432.332 33622.49  577.760 34764.63  651.718  186.066   1.5996  189.186   1.7746 -3.120758 2.389150 
1 1 1  -14   13    5 o   92.379   0.7839  8285.04  140.551  8267.92  197.212  8302.71  200.365   92.282   1.1009   92.476   1.1162 -0.1935425 1.567744 
1 1 1  -14   13    6 o  147.520   1.0715 21132.01  306.806 21033.51  429.719 21234.42  438.182  147.170   1.5042  147.870   1.5265 -0.6999969 2.143098 
1 1 1  -14   13    7 o   64.048   0.6174  3980.20   76.725  4053.53  110.388  3911.66  106.717   64.619   0.8800   63.478   0.8661 1.140728 1.234707 
1 1 1  -14   13    8 f  163.136   1.1566 25847.74  366.254 25927.61  515.695 25766.45  520.259  163.391   1.6259  162.881   1.6454 0.5098267 2.313251 
1 1 1  -14   13    9 o  261.707   1.5359 66556.07  780.221 66624.05  1109.79 66489.65  1097.12  261.837   2.1835  261.576   2.1607 0.2608948 3.071810 
1 1 1  -14   13   10 o   86.859   0.9083  7389.32  146.786  7100.91  243.006  7555.00  184.185   85.507   1.4640   88.211   1.0756 -2.704597 1.816694 
1 1 1  -14   13   11 o   58.048   0.8120  3261.76   90.419  3337.38  139.687  3207.23  118.623   58.623   1.2275   57.472   1.0633 1.150566 1.623982 
1 1 1  -14   13   12 o  144.886   1.3760 20406.00  386.994 20228.03  546.605 20584.87  547.981  144.252   1.9520  145.520   1.9399 -1.268204 2.752020 
1 1 1  -14   13   13 o   64.442   0.8505  4024.91  105.819  4110.23  158.779  3956.72  141.935   65.053   1.2574   63.830   1.1455 1.222687 1.700927 
1 1 1  -14   13   14 o   36.778   0.8250  1302.80   55.883  1347.92   96.325  1279.90   68.609   37.250   1.3321   36.305   0.9735 0.9448586 1.649935 
1 1 1  -14   13   15 o  131.643   1.3218 16848.42  337.753 16922.73  481.470 16776.42  473.929  131.927   1.8801  131.358   1.8586 0.5689087 2.643684 
1 1 1  -14   13   16 o   65.079   0.8944  4117.41  112.802  4064.70  163.724  4165.04  155.636   64.681   1.3040   65.478   1.2245 -0.7974319 1.788771 
1 1 1  -14   13   17 o   64.578   0.7983  4069.24   91.980  4004.13  166.385  4097.89  110.381   64.194   1.3352   64.962   0.8753 -0.7678757 1.596566 
1 1 1  -14   13   18 o   43.557   0.7895  1886.13   58.097  1755.02  113.178  1933.04   67.696   42.496   1.3720   44.618   0.7816 -2.122478 1.579010 
1 1 1  -14   13   19 o  143.122   1.3010 19957.79  344.969 19846.18  581.553 20018.38  428.499  142.758   2.0986  143.486   1.5384 -0.7281342 2.602068 
1 1 1  -14   13   20 o   25.165   1.1073  622.341   46.674  603.497   93.093  628.668   53.943   24.894   1.9265   25.437   1.0925 -0.5427113 2.214670 
1 1 1  -14   13   21 o   72.449   8.9388  5484.99  1257.11   0.0000   0.0000  5484.99  1257.11  ?   ?    72.449   8.9388      ?      ? 
1 1 1  -14   13   22 f   44.855   0.9655  1951.57   83.921  1871.50  114.602  2044.16  123.231   43.867   1.3458   45.843   1.3848 -1.976128 1.931021 
1 1 1  -14   13   23 o   61.065   1.4096  3628.52  167.087   0.0000   0.0000  3628.52  167.087  ?   ?    61.065   1.4096      ?      ? 
1 1 1  -14   13   24 o   35.846   1.6403  1252.80  114.137   0.0000   0.0000  1252.80  114.137  ?   ?    35.846   1.6403      ?      ? 
1 1 1  -14   13   25 o   19.799   2.7796  386.976  106.829   0.0000   0.0000  386.976  106.829  ?   ?    19.799   2.7796      ?      ? 
1 1 1  -14   13   26 o   25.983   1.7011  681.399   83.629  575.719  126.779  762.806  111.271   24.101   2.7098   27.865   2.0571 -3.763638 3.402206 
1 1 1  -14   13   27 o   12.938   2.8557  156.808   82.426  255.853  127.345   85.393  108.133   15.489   4.1511   10.386   3.9228 5.103304 5.711366 
1 1 1  -14   13   28 o   25.828   1.8737  687.580   90.160  598.567  143.644  745.443  115.815   24.269   3.0491   27.386   2.1785 -3.117331 3.747389 
1 1 1  -14   13   29 o   37.425   1.3907  1400.56   99.501  1339.40  152.650  1445.74  131.204   36.626   2.1471   38.224   1.7683 -1.598228 2.781471 
1 1 1  -14   13   30 o   26.673   1.9036  716.435   96.872  925.986  146.726  554.512  128.979   30.167   2.5056   23.180   2.8664 6.986885 3.807189 
1 1 1  -14   13   31 o   23.497   2.4878  623.582  105.194  461.121  156.715  756.809  141.917   19.979   4.1753   27.015   2.7062 -7.035854 4.975591 
1 1 1  -14   13   32 o   41.157   1.5249  1724.66  120.055  1791.83  187.630  1678.09  156.221   41.664   2.3199   40.651   1.9797 1.012779 3.049820 
1 1 1  -14   14    1 o  136.978   1.0055 18188.47  266.624 17821.02  362.197 18623.12  393.924  135.472   1.3773  138.483   1.4654 -3.011002 2.011047 
1 1 1  -14   14    2 o   56.639   0.5927  3113.42   65.143  3089.03   90.710  3139.40   93.611   56.410   0.8284   56.868   0.8480 -0.4577980 1.185463 
1 1 1  -14   14    3 o   85.310   0.7313  7065.25  121.061  7055.38  168.936  7075.67  173.570   85.249   1.0209   85.371   1.0474 -0.1219101 1.462585 
1 1 1  -14   14    4 f   91.723   0.7585  8170.89  134.992  8284.82  188.792  8051.70  193.097   92.378   1.0528   91.068   1.0923 1.309891 1.517089 
1 1 1  -14   14    5 o  117.194   0.9333 13334.13  212.303 13179.00  298.009 13493.99  302.527  116.502   1.3177  117.886   1.3220 -1.383835 1.866595 
1 1 1  -14   14    6 o  140.030   1.0447 19042.26  283.970 19218.33  401.270 18865.63  401.918  140.679   1.4694  139.381   1.4855 1.297668 2.089455 
1 1 1  -14   14    7 o  166.333   1.1831 26870.72  382.009 27023.38  540.614 26718.47  539.873  166.805   1.6696  165.861   1.6768 0.9441833 2.366270 
1 1 1  -14   14    8 o  118.428   0.9510 13618.81  218.616 13630.16  310.001 13607.59  308.344  118.477   1.3479  118.380   1.3418 0.9790802E-01 1.901934 
1 1 1  -14   14    9 o  178.963   1.2376 31111.69  429.941 31296.81  609.163 30927.95  606.900  179.494   1.7483  178.432   1.7522 1.061234 2.475221 
1 1 1  -14   14   10 o  126.527   1.1302 15513.72  268.739 15700.30  440.236 15402.90  339.292  127.119   1.7841  125.935   1.3879 1.184113 2.260339 
1 1 1  -14   14   11 o   85.318   1.0085  7069.81  167.002  7113.12  238.543  7028.19  233.878   85.574   1.4360   85.063   1.4164 0.5114517 2.017014 
1 1 1  -14   14   12 o  148.121   1.4208 21321.16  408.440 20848.90  570.451 21817.94  585.068  146.439   2.0068  149.803   2.0120 -3.363846 2.841679 
1 1 1  -14   14   13 o   79.240   0.9628  6097.47  147.692  6125.04  217.207  6073.76  201.421   79.404   1.4092   79.076   1.3122 0.3284607 1.925512 
1 1 1  -14   14   14 o   41.441   0.8228  1659.79   62.933  1694.24  107.655  1641.90   77.567   41.762   1.3280   41.120   0.9718 0.6419678 1.645542 
1 1 1  -14   14   15 o   26.334   0.9415  697.564   44.161  611.759   77.609  738.648   53.702   25.089   1.5935   27.580   1.0031 -2.490465 1.882965 
1 1 1  -14   14   16 o   53.410   0.7247  2809.73   68.175  2676.31  125.029  2866.19   81.329   52.487   1.2271   54.332   0.7711 -1.844978 1.449313 
1 1 1  -14   14   17 f   69.231   0.8172  4685.47  101.815  4576.67  180.998  4735.84  123.145   68.628   1.3586   69.834   0.9084 -1.205803 1.634360 
1 1 1  -14   14   18 o   47.646   0.7538  2264.95   63.204  2060.91  114.635  2354.07   75.760   46.054   1.2823   49.238   0.7926 -3.184059 1.507505 
1 1 1  -14   14   19 o   90.382   0.9731  7999.46  159.953  7769.79  278.380  8112.66  195.434   89.383   1.6044   91.382   1.1017 -1.998901 1.946272 
1 1 1  -14   14   20 o   26.656   1.1570  703.802   48.435  670.185  105.301  712.822   54.548   26.225   2.0685   27.087   1.0374 -0.8615837 2.314049 
1 1 1  -14   14   21 o   84.310   1.1372  6917.00  186.063  6930.09  266.472  6904.53  259.916   84.385   1.6267   84.235   1.5896 0.1506424 2.274425 
1 1 1  -14   14   22 o   97.355   1.2774  9233.17  241.372  9218.83  343.923  9247.08  338.837   97.278   1.8213   97.433   1.7915 -0.1547775 2.554734 
1 1 1  -14   14   23 o   78.466   1.5606  5994.94  237.706   0.0000   0.0000  5994.94  237.706  ?   ?    78.466   1.5606      ?      ? 
1 1 1  -14   14   24 o   35.782   1.6686  1248.90  115.899   0.0000   0.0000  1248.90  115.899  ?   ?    35.782   1.6686      ?      ? 
1 1 1  -14   14   25 o   23.875   2.1152  558.925   98.030   0.0000   0.0000  558.925   98.030  ?   ?    23.875   2.1152      ?      ? 
1 1 1  -14   14   26 o   13.649   2.8536  195.168   81.500  160.450  124.351  221.312  107.907   12.773   4.2690   14.525   3.7878 -1.752199 5.707193 
1 1 1  -14   14   27 o   7.1671   2.3620 -93.6608   79.728 -152.2100  129.584 -57.9974  101.135   7.1555   3.4049   7.1787   3.2746 -0.2323294E-01 4.724060 
1 1 1  -14   14   28 o   23.710   1.9666  590.407   86.258  467.401  134.592  676.145  112.368   21.362   3.2457   26.058   2.2214 -4.696587 3.933129 
1 1 1  -14   14   29 o   32.844   1.5817  1094.29   98.524  1000.83  152.592  1161.11  129.024   31.503   2.4953   34.185   1.9443 -2.682051 3.163356 
1 1 1  -14   14   30 o   21.703   2.2980  490.254   96.091  538.023  147.185  454.770  126.856   22.556   3.3615   20.850   3.1343 1.706306 4.596025 
1 1 1  -14   14   31 f   25.786   2.0000  682.855   98.701  766.246  155.969  627.152  127.471   26.976   2.9784   24.595   2.6699 2.381346 3.999946 
1 1 1  -14   14   32 o   21.568   2.6548  524.887  105.672  741.167  158.998  353.768  141.427   26.130   3.1346   17.007   4.2857 9.123674 5.309667 
1 1 1  -14   15    1 o  145.418   1.0357 20520.45  291.374 20362.61  395.409 20708.00  431.019  144.809   1.4066  146.026   1.5205 -1.217163 2.071405 
1 1 1  -14   15    2 o   45.546   0.5758  2011.25   50.842  1968.76   69.791  2059.30   74.216   45.035   0.7983   46.058   0.8301 -1.023582 1.151691 
1 1 1  -14   15    3 o   17.462   0.9666  295.808   32.748  284.519   45.566  307.869   47.098   17.117   1.3713   17.806   1.3626 -0.6886044 1.933173 
1 1 1  -14   15    4 o  129.142   0.9513 16206.03  237.933 16380.27  326.578 16008.91  347.357  129.884   1.2953  128.399   1.3936 1.484802 1.902626 
1 1 1  -14   15    5 o  196.457   1.2362 37434.86  468.495 37030.52  626.782 37946.77  705.241  195.264   1.6536  197.650   1.8381 -2.385880 2.472469 
1 1 1  -14   15    6 o  189.728   1.2808 34965.43  471.712 34681.84  666.773 35249.57  667.430  188.958   1.8178  190.499   1.8049 -1.541336 2.561645 
1 1 1  -14   15    7 o   87.940   0.7585  7503.24  129.436  7741.41  185.752  7278.45  180.461   89.296   1.0716   86.585   1.0737 2.711304 1.516957 
1 1 1  -14   15    8 f  173.028   1.2002 29068.03  403.021 29700.65  577.286 28466.54  562.902  174.864   1.7007  171.193   1.6939 3.670959 2.400331 
1 1 1  -14   15    9 o  155.365   1.1785 23441.13  354.624 23546.13  519.676 23349.63  485.133  155.686   1.7196  155.044   1.6119 0.6427002 2.356936 
1 1 1  -14   15   10 o  164.978   1.3359 26431.01  418.149 26540.87  666.540 26359.72  536.954  165.238   2.0780  164.717   1.6793 0.5215759 2.671759 
1 1 1  -14   15   11 o   75.790   0.9264  5578.40  136.253  5382.73  191.529  5778.90  193.875   74.444   1.3254   77.136   1.2948 -2.692177 1.852858 
1 1 1  -14   15   12 o   56.523   0.8087  3108.30   87.733  3063.42  134.013  3141.96  116.062   56.162   1.2292   56.883   1.0511 -0.7203674 1.617354 
1 1 1  -14   15   13 o   95.582   1.1046  8864.65  204.707  9129.13  298.195  8628.92  281.522   96.927   1.5849   94.237   1.5390 2.689697 2.209114 
1 1 1  -14   15   14 o  130.839   1.3580 16645.13  344.743 16654.56  495.435 16636.27  480.010  130.872   1.9502  130.807   1.8904 0.6455994E-01 2.716035 
1 1 1  -14   15   15 o   37.554   0.7821  1368.52   54.698  1374.30   91.388  1365.30   68.277   37.613   1.2517   37.496   0.9380 0.1161499 1.564166 
1 1 1  -14   15   16 o   82.385   0.8880  6632.46  132.899  6484.32  232.171  6704.67  162.080   81.683   1.4642   83.088   1.0049 -1.405022 1.775906 
1 1 1  -14   15   17 o   50.909   0.8501  2510.38   83.393  2577.69  126.571  2458.75  110.857   51.508   1.2659   50.310   1.1351 1.197323 1.700280 
1 1 1  -14   15   18 o   23.331   1.0230  529.383   39.892  528.647   80.428  529.623   45.941   23.312   1.7773   23.351   1.0135 -0.3919983E-01 2.045980 
1 1 1  -14   15   19 o   75.597   0.9926  5569.28  144.709  5427.98  215.923  5684.49  194.975   74.717   1.4887   76.477   1.3134 -1.760017 1.985252 
1 1 1  -14   15   20 o   53.923   0.8267  2900.05   77.216  2659.65  144.072  2996.94   91.462   52.298   1.4191   55.549   0.8482 -3.250858 1.653311 
1 1 1  -14   15   21 o   91.463   1.1989  8134.14  212.712  7829.46  294.499  8466.47  307.566   89.675   1.6918   93.250   1.6991 -3.575439 2.397739 
1 1 1  -14   15   22 o   26.520   1.4381  705.951   71.869  560.516  107.470  823.606   96.662   23.958   2.3109   29.081   1.7123 -5.123281 2.876111 
1 1 1  -14   15   23 o   49.067   1.3924  2342.99  132.624   0.0000   0.0000  2342.99  132.624  ?   ?    49.067   1.3924      ?      ? 
1 1 1  -14   15   24 o   37.994   1.5482  1407.43  114.185   0.0000   0.0000  1407.43  114.185  ?   ?    37.994   1.5482      ?      ? 
1 1 1  -14   15   25 o   42.210   1.5280  1738.89  125.201   0.0000   0.0000  1738.89  125.201  ?   ?    42.210   1.5280      ?      ? 
1 1 1  -14   15   26 o   70.723   1.1124  4884.84  152.299  4983.08  224.753  4801.42  207.097   71.363   1.6224   70.084   1.5223 1.279022 2.224772 
1 1 1  -14   15   27 o   19.625   2.3649  437.320   81.169  247.296  125.674  573.320  106.319   15.192   4.1459   24.058   2.2766 -8.865726 4.729805 
1 1 1  -14   15   28 f   38.139   1.3413  1438.39   96.418  1444.78  156.294  1434.47  122.507   38.119   2.1122   38.159   1.6538 -0.4021072E-01 2.682649 
1 1 1  -14   15   29 o   9.4845   2.7994   10.840   87.936  111.073  137.706 -58.1762  114.268   11.381   4.3949   7.5877   3.4687 3.793651 5.598871 
1 1 1  -14   15   30 o   33.933   1.5152  1167.72   98.325  1104.36  149.986  1215.46  130.206   33.001   2.3413   34.865   1.9239 -1.863503 3.030328 
1 1 1  -14   15   31 o   14.041   3.1768  235.764   98.159  216.361  146.416  251.604  132.291   13.536   4.6318   14.547   4.3490 -1.010663 6.353512 
1 1 1  -14   15   32 o   19.835   2.7413  460.233  101.766  459.980  143.741  460.487  144.097   19.833   3.8725   19.837   3.8811 -0.3736496E-02 5.482564 
1 1 1  -14   16    1 o   51.523   0.5818  2570.45   57.851  2519.26   77.386  2635.29   87.100   50.943   0.7825   52.103   0.8612 -1.159103 1.163622 
1 1 1  -14   16    2 f  140.820   1.0231 19248.60  278.746 19159.94  378.732 19353.39  411.747  140.469   1.3889  141.171   1.5025 -0.7018890 2.046154 
1 1 1  -14   16    3 o  108.957   0.8597 11525.29  181.567 11503.86  250.102 11549.16  264.012  108.851   1.1836  109.063   1.2470 -0.2121124 1.719332 
1 1 1  -14   16    4 o  186.983   1.2056 33955.56  435.470 33938.21  587.460 33976.73  648.794  186.936   1.6189  187.029   1.7870 -0.9342957E-01 2.411289 
1 1 1  -14   16    5 o  198.317   1.2533 38160.71  479.763 37825.27  643.916 38579.31  719.303  197.346   1.6809  199.288   1.8594 -1.942444 2.506507 
1 1 1  -14   16    6 o  101.216   0.8308  9947.21  163.072  9956.86  225.652  9936.67  235.928  101.268   1.1479  101.164   1.2014 0.1042786 1.661627 
1 1 1  -14   16    7 o   69.088   0.6420  4633.75   86.102  4624.39  121.391  4643.22  122.146   69.018   0.9061   69.159   0.9098 -0.1403503 1.284043 
1 1 1  -14   16    8 o  102.368   0.8390 10174.46  166.702 10137.83  233.812 10212.33  237.743  102.181   1.1788  102.555   1.1942 -0.3741837 1.678004 
1 1 1  -14   16    9 o   59.441   0.6917  3425.28   76.973  3449.62  127.155  3411.21   96.705   59.605   1.0990   59.277   0.8404 0.3278885 1.383493 
1 1 1  -14   16   10 o  127.787   1.1433 15704.58  272.718 16441.48  457.614 15298.71  339.617  130.072   1.8124  125.502   1.3940 4.569839 2.286505 
1 1 1  -14   16   11 o  169.134   1.4865 27814.17  487.992 27687.12  684.619 27945.38  695.765  168.743   2.0901  169.525   2.1143 -0.7815704 2.972970 
1 1 1  -14   16   12 o   97.606   1.1127  9258.24  210.790  9159.95  300.047  9354.02  296.194   97.093   1.5920   98.119   1.5551 -1.025642 2.225471 
1 1 1  -14   16   13 o  100.536   1.1277  9820.58  219.953  9871.93  316.640  9772.69  305.766  100.788   1.6184  100.284   1.5707 0.5042114 2.255302 
1 1 1  -14   16   14 o   68.445   0.9058  4513.40  118.761  4773.08  185.656  4333.54  154.508   70.094   1.3645   66.796   1.1916 3.297989 1.811549 
1 1 1  -14   16   15 o   70.181   0.8032  4758.46   99.773  4846.56  184.590  4722.10  118.588   70.626   1.3464   69.735   0.8760 0.8911667 1.606321 
1 1 1  -14   16   16 o   76.079   0.8405  5634.86  115.631  5588.91  204.540  5656.45  140.182   75.838   1.3894   76.319   0.9462 -0.4812317 1.680995 
1 1 1  -14   16   17 o   69.270   0.8034  4610.62   99.247  4788.67  182.080  4535.37  118.379   70.199   1.3362   68.340   0.8923 1.859467 1.606753 
1 1 1  -14   16   18 o   24.386   1.0937  545.925   40.358  630.792   96.603  527.981   44.420   25.458   1.9548   23.315   0.9815 2.142557 2.187363 
1 1 1  -14   16   19 o   59.832   0.8311  3494.47   85.319  3444.64  164.756  3512.74   99.733   59.523   1.4259   60.141   0.8543 -0.6181488 1.662224 
1 1 1  -14   16   20 o   30.354   1.0446  906.929   58.288  861.417   98.682  931.316   72.236   29.751   1.7087   30.956   1.2021 -1.204525 2.089194 
1 1 1  -14   16   21 o   33.423   1.1282  1090.16   71.846  1072.38  112.477  1102.42   93.378   33.183   1.7462   33.663   1.4290 -0.4805641 2.256340 
1 1 1  -14   16   22 o   46.231   0.9467  2078.70   84.956  2105.35  120.736  2052.56  119.564   46.524   1.3369   45.937   1.3408 0.5872192 1.893421 
1 1 1  -14   16   23 o   27.270   1.9016  725.541  100.661   0.0000   0.0000  725.541  100.661  ?   ?    27.270   1.9016      ?      ? 
1 1 1  -14   16   24 o   27.743   1.9537  752.731  105.214   0.0000   0.0000  752.731  105.214  ?   ?    27.743   1.9537      ?      ? 
1 1 1  -14   16   25 o   36.006   1.6791  1267.16  117.359   0.0000   0.0000  1267.16  117.359  ?   ?    36.006   1.6791      ?      ? 
1 1 1  -14   16   26 f   22.244   1.8297  479.954   77.949  556.084  123.155  429.071  100.683   23.667   2.6807   20.821   2.4911 2.845995 3.659458 
1 1 1  -14   16   27 o   12.157   2.8048  122.035   79.409  248.031  129.263   45.665  100.637   15.174   4.2299   9.1407   3.6847 6.033556 5.609687 
1 1 1  -14   16   28 o   20.239   2.2446  430.036   82.354  408.212  134.565  443.105  104.133   19.503   3.6896   20.976   2.5574 -1.473829 4.489252 
1 1 1  -14   16   29 o   10.462   2.8268   52.477   85.526  187.469  135.129 -37.7421  110.469   13.183   4.4500   7.7406   3.4873 5.442082 5.653660 
1 1 1  -14   16   30 o   10.549   2.9903   84.408   92.628  112.977  140.495   62.441  123.196   11.253   4.4130   9.8454   4.0364 1.407837 5.980551 
1 1 1  -14   16   31 o   12.041   3.1208  151.918   95.889  210.863  145.223  106.354  127.680   13.357   4.6109   10.726   4.2067 2.631086 6.241544 
1 1 1  -14   17    1 o   80.932   0.8552  6415.62  130.126  6128.11  209.771  6595.45  165.904   79.442   1.3603   82.423   1.0369 -2.981163 1.710432 
1 1 1  -14   17    2 o  114.610   0.8973 12739.07  199.264 12516.94  272.747 12993.36  291.823  113.541   1.2375  115.679   1.2996 -2.138443 1.794507 
1 1 1  -14   17    3 o  140.832   1.0164 19255.36  277.197 19197.89  378.725 19321.68  406.812  140.608   1.3876  141.056   1.4857 -0.4478607 2.032896 
1 1 1  -14   17    4 o  111.097   0.8883 11981.10  191.400 11916.02  264.915 12052.17  276.838  110.782   1.2319  111.411   1.2801 -0.6294632 1.776546 
1 1 1  -14   17    5 o   92.853   0.7739  8373.99  139.381  8467.16  193.916  8274.41  200.478   93.388   1.0697   92.318   1.1187 1.070313 1.547821 
1 1 1  -14   17    6 o   17.025   0.9067  282.243   29.817  290.677   40.572  272.338   43.968   17.302   1.2080   16.747   1.3525 0.5554905 1.813413 
1 1 1  -14   17    7 o   38.915   0.5309  1470.17   40.028  1472.18   54.958  1467.90   58.418   38.943   0.7270   38.886   0.7739 0.5697250E-01 1.061814 
1 1 1  -14   17    8 o   53.971   0.5626  2827.90   58.940  2836.45   82.814  2819.13   83.905   54.054   0.7892   53.888   0.8021 0.1654778 1.125282 
1 1 1  -14   17    9 o  303.599   1.6456 89619.64  969.734 90762.18  1383.49 88516.15  1359.64  305.500   2.3329  301.699   2.3216 3.800842 3.291247 
1 1 1  -14   17   10 o  175.274   1.3910 29964.15  464.392 29333.15  726.858 30399.38  603.666  173.683   2.1559  176.866   1.7583 -3.183670 2.781980 
1 1 1  -14   17   11 o  141.471   1.3727 19457.39  376.942 19595.37  531.808 19318.09  534.354  141.976   1.9296  140.965   1.9528 1.010773 2.745321 
1 1 1  -14   17   12 o  131.074   1.2773 16698.34  324.960 16806.87  463.329 16593.27  455.887  131.492   1.8152  130.656   1.7975 0.8363647 2.554577 
1 1 1  -14   17   13 o   36.278   0.7926  1241.95   51.151  1368.33   95.523  1191.14   60.567   37.531   1.3111   35.025   0.8908 2.506310 1.585128 
1 1 1  -14   17   14 o   86.982   1.0562  7330.12  177.473  7563.80  266.100  7142.90  238.183   88.222   1.5538   85.741   1.4311 2.481567 2.112413 
1 1 1  -14   17   15 f  101.042   1.0139  9931.29  186.273  9893.75  326.433  9949.42  226.828  100.878   1.6670  101.206   1.1546 -0.3277664 2.027786 
1 1 1  -14   17   16 o   23.807   1.1581  606.785   36.999  476.086   93.084  631.309   40.321   22.115   2.1683   25.498   0.8146 -3.383512 2.316295 
1 1 1  -14   17   17 o   62.869   0.7950  3851.30   87.090  3813.02  164.269  3866.27  102.714   62.639   1.3510   63.099   0.8386 -0.4599190 1.590063 
1 1 1  -14   17   18 f   64.856   0.8325  4061.31   93.756  4144.00  179.142  4030.12  110.028   65.293   1.4134   64.419   0.8799 0.8738251 1.664901 
1 1 1  -14   17   19 o   33.808   0.9283  1084.11   48.987  1156.77  110.495  1066.34   54.651   34.481   1.6508   33.135   0.8497 1.345856 1.856624 
1 1 1  -14   17   20 f   59.512   0.7960  3472.78   84.598  3361.30  152.124  3522.69  101.790   58.800   1.3328   60.224   0.8707 -1.423645 1.591984 
1 1 1  -14   17   21 o   92.886   1.2279  8403.04  221.302  8381.82  317.641  8423.06  308.495   92.767   1.7639   93.005   1.7087 -0.2379456 2.455856 
1 1 1  -14   17   22 o   12.857   2.4567  168.518   62.711  162.423   92.138  173.778   85.598   12.669   3.5852   13.046   3.3597 -0.3769312 4.913407 
1 1 1  -14   17   23 o   62.569   0.9721  3812.96  117.929  3859.10  163.440  3762.85  170.327   62.969   1.3371   62.170   1.4114 0.7998848 1.944173 
1 1 1  -14   17   24 o   9.6578   3.7383   62.026   99.815   0.0000   0.0000   62.026   99.815  ?   ?    9.6578   3.7383      ?      ? 
1 1 1  -14   17   25 o   72.196   1.5128  5089.45  212.011   0.0000   0.0000  5089.45  212.011  ?   ?    72.196   1.5128      ?      ? 
1 1 1  -14   17   26 o   38.946   1.5725  1484.15  118.881   0.0000   0.0000  1484.15  118.881  ?   ?    38.946   1.5725      ?      ? 
1 1 1  -14   17   27 o   21.293   2.0490  460.688   82.357  438.345  130.808  475.362  106.005   20.763   3.2455   21.824   2.5022 -1.061029 4.098090 
1 1 1  -14   17   28 o   34.776   1.3985  1214.49   91.685  1142.00  145.756  1261.95  117.941   33.803   2.2213   35.749   1.6996 -1.945454 2.796902 
1 1 1  -14   17   29 o   15.884   2.7593  291.279   85.682  208.619  133.875  348.629  111.512   13.710   4.4213   18.059   3.3028 -4.349070 5.518696 
1 1 1  -14   17   30 o   19.420   2.5419  398.047   92.652  508.568  146.950  325.121  119.368   21.783   3.4752   17.057   3.7106 4.725912 5.083858 
1 1 1  -14   17   31 o   8.1807   2.6285 -61.9524   93.152   34.763  138.031 -142.8413  126.233   9.5190   4.1051   6.8423   3.2840 2.676684 5.257092 
1 1 1  -14   18    1 o  156.157   1.0983 23682.16  331.789 23679.29  450.969 23685.56  489.885  156.151   1.4878  156.163   1.6160 -0.1272583E-01 2.196596 
1 1 1  -14   18    2 o  201.304   1.2673 39347.62  492.312 39219.91  660.786 39506.96  738.079  200.946   1.6940  201.663   1.8854 -0.7166748 2.534669 
1 1 1  -14   18    3 o  166.725   1.1419 26996.83  368.237 26993.05  499.949 27001.31  544.419  166.716   1.5448  166.733   1.6821 -0.1622009E-01 2.283840 
1 1 1  -14   18    4 f  217.924   1.3108 46114.38  550.588 45963.13  735.698 46306.96  830.121  217.529   1.7423  218.319   1.9588 -0.7896881 2.621511 
1 1 1  -14   18    5 o  159.586   1.1120 24758.33  343.352 25036.66  468.479 24435.31  504.686  160.561   1.5031  158.612   1.6392 1.949005 2.223985 
1 1 1  -14   18    6 o   68.071   0.8028  4542.54   98.098  4615.54  118.561  4384.09  174.677   68.952   0.8858   67.191   1.3392 1.760674 1.605673 
1 1 1  -14   18    7 o   93.349   0.7794  8451.58  140.990  8308.43  193.199  8614.69  206.219   92.505   1.0759   94.192   1.1278 -1.687805 1.558716 
1 1 1  -14   18    8 o   73.511   0.6669  5238.84   95.094  5035.55  131.476  5461.85  137.706   72.018   0.9405   75.004   0.9458 -2.986443 1.333802 
1 1 1  -14   18    9 o   82.168   0.8857  6525.49  132.441  6467.45  160.969  6647.12  233.018   81.613   1.0161   82.722   1.4511 -1.108559 1.771473 
1 1 1  -14   18   10 f   94.784   0.9851  8745.32  173.250  8663.45  290.869  8790.34  215.684   94.428   1.5868   95.140   1.1679 -0.7119827 1.970271 
1 1 1  -14   18   11 o   52.796   0.8010  2706.32   80.038  2709.98  128.372  2703.99  102.371   52.822   1.2520   52.770   0.9994 0.5193329E-01 1.601907 
1 1 1  -14   18   12 o   75.208   2.5546  5526.72  372.766  5362.34  529.429  5688.33  524.942   74.089   3.6812   76.326   3.5430 -2.236977 5.109208 
1 1 1  -14   18   13 o   73.839   0.9269  5294.65  132.250  5313.84  196.766  5278.83  178.609   73.958   1.3706   73.720   1.2481 0.2382431 1.853701 
1 1 1  -14   18   14 o   32.954   0.9041  1082.88   49.500  1001.01   98.699  1110.39   57.215   32.092   1.5844   33.816   0.8716 -1.724571 1.808293 
1 1 1  -14   18   15 o   18.268   1.4563  362.910   31.990  278.063   90.844  374.920   34.179   16.886   2.7714   19.649   0.8961 -2.762810 2.912620 
1 1 1  -14   18   16 o  120.581   1.2025 14158.65  259.622 14085.99  467.956 14190.96  312.052  120.314   2.0037  120.849   1.3302 -0.5344696 2.405014 
1 1 1  -14   18   17 o   72.420   0.8778  5159.50  112.437  4940.50  205.037  5253.68  134.456   71.291   1.4816   73.549   0.9418 -2.258575 1.755579 
1 1 1  -14   18   18 o   78.917   0.9325  6058.37  130.691  6039.35  239.118  6066.47  156.062   78.807   1.5631   79.027   1.0173 -0.2198944 1.864982 
1 1 1  -14   18   19 f   7.6480   2.0508   3.7602   38.102  102.390   82.679 -22.8344   42.933   10.484   3.4802   4.8122   2.1705 5.671431 4.101540 
1 1 1  -14   18   20 o   59.498   0.8453  3512.75   87.097  3280.17  163.377  3605.10  102.946   58.074   1.4493   60.923   0.8705 -2.848812 1.690595 
1 1 1  -14   18   21 o   16.467   2.0602  276.146   62.116  246.124   98.853  295.734   79.849   15.533   3.3750   17.401   2.3639 -1.868676 4.120461 
1 1 1  -14   18   22 o   31.371   1.2470  967.003   74.047  921.314  117.125  997.422   95.568   30.734   1.9632   32.008   1.5381 -1.274618 2.493982 
1 1 1  -14   18   23 o   17.318   2.0177  306.023   64.643  234.781   93.080  372.397   89.843   15.139   3.2634   19.497   2.3738 -4.357833 4.035460 
1 1 1  -14   18   24 o   22.761   2.2037  508.122   97.366   0.0000   0.0000  508.122   97.366  ?   ?    22.761   2.2037      ?      ? 
1 1 1  -14   18   25 f   51.583   1.3705  2596.08  137.228   0.0000   0.0000  2596.08  137.228  ?   ?    51.583   1.3705      ?      ? 
1 1 1  -14   18   26 o   47.420   1.4816  2199.05  136.386   0.0000   0.0000  2199.05  136.386  ?   ?    47.420   1.4816      ?      ? 
1 1 1  -14   18   27 o   31.338   1.4584  958.057   86.065  1032.30  142.070  915.017  108.173   32.215   2.2718   30.460   1.8295 1.755291 2.916857 
1 1 1  -14   18   28 o   30.059   1.5591  917.766   87.420  846.450  141.682  961.607  111.087   28.967   2.5197   31.152   1.8370 -2.185228 3.118268 
1 1 1  -14   18   29 o   39.855   1.3011  1567.09   99.229  1651.42  155.507  1509.17  128.877   40.684   1.9691   39.027   1.7012 1.656712 2.602168 
1 1 1  -14   18   30 o   13.732   3.1399  219.223   95.417  205.514  144.476  229.828  127.073   13.390   4.6004   14.074   4.2747 -0.6844435 6.279846 
1 1 1  -14   18   31 o   22.503   2.2785  547.513   98.477  543.089  149.561  550.898  130.843   22.245   3.4635   22.761   2.9613 -0.5160427 4.556900 
1 1 1  -14   19    1 o   69.579   0.6512  4696.06   87.858  4621.15  121.065  4779.40  127.699   68.993   0.9040   70.164   0.9376 -1.170784 1.302374 
1 1 1  -14   19    2 o  158.088   1.1010 24242.79  336.514 23946.71  454.744 24601.20  500.320  157.026   1.4919  159.149   1.6195 -2.122681 2.201912 
1 1 1  -14   19    3 o   50.604   0.7255  2477.19   67.270  2513.36  116.656  2459.17   82.339   50.878   1.1812   50.331   0.8428 0.5467758 1.451010 
1 1 1  -14   19    4 o  108.835   0.8741 11497.22  184.334 11430.69  252.803 11572.75  269.359  108.500   1.2003  109.170   1.2711 -0.6694565 1.748220 
1 1 1  -14   19    5 o   88.005   0.7480  7521.72  127.697  7580.61  177.616  7458.71  183.721   88.362   1.0355   87.648   1.0798 0.7145233 1.496088 
1 1 1  -14   19    6 o  229.000   1.3313 50996.53  588.070 51323.98  789.915 50589.40  880.800  229.840   1.7705  228.160   1.9887 1.680405 2.662621 
1 1 1  -14   19    7 o   73.751   0.6588  5279.83   94.298  5235.34  131.702  5326.63  135.076   73.433   0.9239   74.070   0.9394 -0.6371536 1.317646 
1 1 1  -14   19    8 o   83.887   0.7194  6833.84  117.096  6876.64  163.618  6788.90  167.655   84.156   1.0016   83.617   1.0329 0.5395966 1.438751 
1 1 1  -14   19    9 o   59.829   0.7682  3431.11   79.750  3377.59   93.365  3575.57  153.375   58.983   0.8154   60.674   1.3022 -1.691200 1.536463 
1 1 1  -14   19   10 o   99.073   0.9988  9528.12  183.813  9558.00  308.797  9511.73  228.755   99.181   1.6039   98.965   1.1908 0.2159271 1.997608 
1 1 1  -14   19   11 f   78.752   0.9609  6031.18  146.689  5867.49  211.257  6183.58  203.841   77.717   1.4003   79.787   1.3161 -2.070068 1.921744 
1 1 1  -14   19   12 o   25.782   0.9292  631.596   39.204  671.999   82.784  619.915   44.511   26.296   1.6218   25.267   0.9075 1.028418 1.858421 
1 1 1  -14   19   13 o   13.592   1.6979  191.535   35.045  169.607   76.264  197.405   39.457   12.931   3.0820   14.254   1.4260 -1.323472 3.395897 
1 1 1  -14   19   14 o   86.957   0.9288  7288.52  143.370  7490.11  264.529  7204.67  170.599   87.784   1.5524   86.130   1.0204 1.653587 1.857686 
1 1 1  -14   19   15 f   49.676   0.7709  2468.68   61.306  2270.22  128.689  2526.95   69.726   48.335   1.3716   51.017   0.7041 -2.681660 1.541713 
1 1 1  -14   19   16 o   35.661   0.8899  1256.41   44.547  1205.57  112.065  1265.95   48.548   35.212   1.6395   36.110   0.6926 -0.8972893 1.779781 
1 1 1  -14   19   17 o   55.832   0.8002  3012.02   73.708  3059.22  152.125  2997.54   84.260   56.102   1.3969   55.561   0.7812 0.5415306 1.600488 
1 1 1  -14   19   18 o   53.517   0.7897  2777.98   70.829  2791.89  142.466  2773.41   81.632   53.592   1.3694   53.442   0.7869 0.1505203 1.579424 
1 1 1  -14   19   19 o   70.087   0.8554  4814.90  107.061  4670.05  192.656  4879.61  128.776   69.299   1.4322   70.876   0.9360 -1.576645 1.710891 
1 1 1  -14   19   20 o   35.211   0.9891  1275.80   52.008  1097.51  117.585  1319.16   57.988   33.568   1.8045   36.853   0.8106 -3.285530 1.978229 
1 1 1  -14   19   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   19   22 f   48.515   0.9900  2298.30   92.527  2221.58  138.361  2360.37  124.448   47.772   1.4920   49.259   1.3015 -1.487057 1.979905 
1 1 1  -14   19   23 o   29.194   1.3609  846.353   75.338  759.328  116.262  909.346   98.916   27.855   2.1502   30.533   1.6689 -2.677656 2.721853 
1 1 1  -14   19   24 o   11.324   3.6934  124.594   93.272   0.0000   0.0000  124.594   93.272  ?   ?    11.324   3.6934      ?      ? 
1 1 1  -14   19   25 f   22.801   2.1535  511.465   95.315   0.0000   0.0000  511.465   95.315  ?   ?    22.801   2.1535      ?      ? 
1 1 1  -14   19   26 o   29.401   1.8862  849.794  107.648   0.0000   0.0000  849.794  107.648  ?   ?    29.401   1.8862      ?      ? 
1 1 1  -14   19   27 o   28.721   1.5390  782.418   83.174  976.012  140.299  677.506  103.281   31.292   2.3097   26.149   2.0347 5.143911 3.078101 
1 1 1  -14   19   28 o   30.567   1.5205  890.166   86.826  1093.02  149.221  786.330  106.760   33.005   2.3291   28.130   1.9551 4.874592 3.040922 
1 1 1  -14   19   29 o   15.619   2.8432  256.955   86.990  384.513  140.816  178.233  110.623   18.521   4.0312   12.717   4.0104 5.804090 5.686306 
1 1 1  -14   19   30 o   22.807   2.3640  574.065   98.016  493.215  152.682  630.742  127.836   20.912   3.9047   24.702   2.6660 -3.789665 4.728044 
1 1 1  -14   19   31 o   15.519   2.9297  275.906   95.469  438.842  145.528  152.812  126.490   19.345   4.0072   11.693   4.2749 7.652557 5.859372 
1 1 1  -14   20    1 o   94.858   0.7973  8734.22  146.680  8676.72  202.744  8797.38  212.472   94.531   1.1049   95.185   1.1499 -0.6534882 1.594687 
1 1 1  -14   20    2 o   45.129   0.5679  1977.95   49.723  2005.61   69.430  1948.83   71.242   45.453   0.7869   44.805   0.8191 0.6483650 1.135853 
1 1 1  -14   20    3 o  100.723   0.8307  9834.08  162.109  9594.51  221.436 10110.77  237.971   99.404   1.1476  102.042   1.2014 -2.637299 1.661392 
1 1 1  -14   20    4 o  233.325   1.3599 52925.02  611.375 53097.44  817.113 52705.73  921.497  233.774   1.8006  232.876   2.0385 0.8975677 2.719845 
1 1 1  -14   20    5 o   60.234   0.6012  3519.20   70.214  3462.50   96.637  3582.60  102.190   59.721   0.8336   60.747   0.8666 -1.026371 1.202437 
1 1 1  -14   20    6 o  103.413   0.8484 10375.24  169.973 10235.53  232.561 10535.45  249.041  102.668   1.1669  104.158   1.2317 -1.490433 1.696710 
1 1 1  -14   20    7 o   32.696   0.5357  1038.57   33.968  1057.87   47.245  1017.92   48.871   33.011   0.7373   32.381   0.7775 0.6297188 1.071496 
1 1 1  -14   20    8 o  106.716   0.8574 11057.98  177.378 11021.72  244.491 11098.27  257.735  106.533   1.1823  106.899   1.2420 -0.3661957 1.714760 
1 1 1  -14   20    9 o   47.136   0.7327  2193.03   60.281  2075.46  112.070  2240.90   71.506   46.227   1.2489   48.044   0.7667 -1.817024 1.465477 
1 1 1  -14   20   10 o   81.434   0.8607  6436.56  129.897  6454.17  219.288  6427.04  161.228   81.511   1.3859   81.356   1.0209 0.1557388 1.721326 
1 1 1  -14   20   11 o   98.638   1.1071  9453.06  211.878  9499.01  304.704  9410.03  294.823   98.869   1.5876   98.408   1.5434 0.4608765 2.214178 
1 1 1  -14   20   12 o   28.648   0.8742  755.659   40.414  872.860   88.701  724.955   45.401   29.971   1.5246   27.325   0.8559 2.646442 1.748430 
1 1 1  -14   20   13 o   30.854   0.7491  904.545   32.406  953.690   83.593  895.853   35.156   31.330   1.3745   30.378   0.5962 0.9519405 1.498234 
1 1 1  -14   20   14 o   82.401   0.9117  6494.13  130.944  6830.04  250.510  6367.85  153.598   83.826   1.5395   80.975   0.9772 2.851089 1.823433 
1 1 1  -14   20   15 o  143.050   1.3661 19760.39  346.969 20274.43  639.580 19546.02  413.029  144.292   2.2834  141.809   1.5004 2.483307 2.732272 
1 1 1  -14   20   16 o   58.705   0.8897  3373.78   98.548  3237.61  157.597  3461.22  126.284   57.717   1.4066   59.693   1.0898 -1.975929 1.779429 
1 1 1  -14   20   17 o  154.179   1.6438 23370.98  466.019 22513.04  791.455 23826.29  576.565  151.890   2.6843  156.468   1.8983 -4.577499 3.287687 
1 1 1  -14   20   18 o  123.086   1.3322 14867.98  299.935 14392.05  515.552 15111.48  368.765  121.520   2.1855  124.652   1.5240 -3.132027 2.664424 
1 1 1  -14   20   19 o   39.132   0.8825  1493.90   51.617  1479.80  120.996  1497.04   57.070   39.001   1.5982   39.263   0.7488 -0.2624512 1.764913 
1 1 1  -14   20   20 o   69.593   0.8851  4750.71  108.382  4609.69  200.066  4809.29  128.941   68.829   1.4974   70.357   0.9441 -1.527885 1.770190 
1 1 1  -14   20   21 o   41.528   1.0497  1716.41   82.238  1486.25  127.207  1881.68  107.794   39.066   1.6774   43.989   1.2624 -4.922626 2.099357 
1 1 1  -14   20   22 f   49.288   0.9572  2365.42   91.171  2348.67  135.258  2379.38  123.423   49.122   1.4185   49.455   1.2856 -0.3326378 1.914410 
1 1 1  -14   20   23 o   30.141   1.2827  876.279   74.307  964.516  115.231  813.469   97.221   31.415   1.8896   28.866   1.7350 2.548964 2.565317 
1 1 1  -14   20   24 o   28.274   1.7019  781.278   93.407   0.0000   0.0000  781.278   93.407  ?   ?    28.274   1.7019      ?      ? 
1 1 1  -14   20   25 o   27.883   1.7987  762.114   97.354   0.0000   0.0000  762.114   97.354  ?   ?    27.883   1.7987      ?      ? 
1 1 1  -14   20   26 o   24.969   2.0094  614.618   97.394   0.0000   0.0000  614.618   97.394  ?   ?    24.969   2.0094      ?      ? 
1 1 1  -14   20   27 f   24.879   1.6562  633.777   77.649  532.713  118.663  709.458  102.686   22.999   2.6579   26.759   1.9768 -3.760086 3.312443 
1 1 1  -14   20   28 o   17.870   2.4613  339.712   78.922  335.690  136.363  341.738   96.778   17.397   4.1043   18.344   2.7178 -0.9470901 4.922571 
1 1 1  -14   20   29 o   34.871   1.4067  1197.58   91.897  1291.36  153.594  1145.28  114.691   35.794   2.2105   33.949   1.7404 1.845348 2.813425 
1 1 1  -14   20   30 o   32.982   1.5358  1060.58   96.344  1339.64  156.252  889.408  122.375   36.319   2.2163   29.645   2.1265 6.673647 3.071518 
1 1 1  -14   20   31 o   26.746   1.8955  739.644   96.936  834.842  153.824  676.937  124.844   28.029   2.8272   25.463   2.5258 2.565950 3.791083 
1 1 1  -14   21    1 o  164.913   1.1382 26435.52  363.037 26600.61  493.658 26241.08  535.746  165.480   1.5368  164.345   1.6793 1.135437 2.276374 
1 1 1  -14   21    2 o   50.849   0.5904  2510.24   58.232  2512.82   80.899  2507.47   83.888   50.876   0.8192   50.821   0.8503 0.5467224E-01 1.180712 
1 1 1  -14   21    3 o   61.749   0.6191  3701.42   74.157  3693.14  103.023  3710.32  106.827   61.677   0.8605   61.820   0.8902 -0.1427841 1.238104 
1 1 1  -14   21    4 o   39.301   0.5617  1499.81   42.837  1541.50   60.549  1458.04   60.613   39.848   0.7828   38.754   0.8057 1.093964 1.123346 
1 1 1  -14   21    5 o   91.504   0.7719  8132.36  137.021  8193.02  190.867  8067.85  196.823   91.857   1.0704   91.151   1.1124 0.7059250 1.543747 
1 1 1  -14   21    6 o   91.409   0.7787  8111.55  138.048  8064.87  191.095  8162.50  199.645   91.134   1.0802   91.683   1.1218 -0.5483475 1.557305 
1 1 1  -14   21    7 o  117.443   0.9231 13389.95  209.905 13307.00  286.395 13486.22  308.544  117.053   1.2604  117.833   1.3489 -0.7800598 1.846145 
1 1 1  -14   21    8 o  120.763   0.9432 14179.57  220.880 14581.68  308.237 13755.13  316.677  122.527   1.2959  118.999   1.3709 3.528336 1.886497 
1 1 1  -14   21    9 o   96.027   0.9345  8987.26  169.777  8818.86  271.223  9095.77  217.705   95.276   1.4665   96.778   1.1589 -1.501274 1.869092 
1 1 1  -14   21   10 o   27.545   0.8203  691.352   34.003  810.505   82.260  666.797   37.343   28.883   1.4672   26.207   0.7340 2.675508 1.640554 
1 1 1  -14   21   11 o   45.080   0.7766  1953.65   62.661  2025.04  114.187  1922.89   74.955   45.659   1.2883   44.502   0.8677 1.156647 1.553276 
1 1 1  -14   21   12 o   93.759   1.0513  8542.89  190.247  8531.99  284.567  8551.70  255.822   93.699   1.5645   93.819   1.4047 -0.1194992 2.102600 
1 1 1  -14   21   13 o   56.516   0.7240  3151.42   70.352  2995.15  134.126  3210.74   82.632   55.525   1.2444   57.506   0.7402 -1.980698 1.447907 
1 1 1  -14   21   14 o   79.645   0.8972  6090.89  124.109  6324.10  238.063  6003.85  145.437   80.663   1.5204   78.628   0.9529 2.034996 1.794305 
1 1 1  -14   21   15 o   49.225   0.7634  2324.17   59.059  2403.97  131.015  2303.82   66.163   49.738   1.3570   48.712   0.6997 1.025726 1.526739 
1 1 1  -14   21   16 o  121.183   1.3101 14378.40  289.844 14018.92  501.079 14559.15  355.320  119.986   2.1513  122.379   1.4957 -2.393150 2.620201 
1 1 1  -14   21   17 o   33.701   0.8239  1096.85   41.451  1113.99   97.945  1093.12   45.750   33.849   1.4906   33.553   0.7024 0.2960930 1.647829 
1 1 1  -14   21   18 o   60.977   0.8203  3682.03   85.966  3464.76  163.571  3764.95  101.046   59.693   1.4116   62.262   0.8360 -2.569267 1.640634 
1 1 1  -14   21   19 o   46.938   0.8251  2091.99   59.938  2223.30  136.618  2060.69   66.701   47.811   1.4720   46.065   0.7459 1.746082 1.650223 
1 1 1  -14   21   20 o   67.535   0.8479  4443.62  101.049  4410.60  186.719  4457.30  120.166   67.334   1.4285   67.735   0.9139 -0.4011307 1.695848 
1 1 1  -14   21   21 o   45.030   0.9905  1930.40   84.485  2162.00  138.261  1792.39  106.729   47.130   1.5113   42.930   1.2807 4.200188 1.980955 
1 1 1  -14   21   22 o   8.6468   2.5301   18.389   67.858   42.313  108.986   3.2430   86.717   9.5156   3.8349   7.7780   3.3015 1.737656 5.060281 
1 1 1  -14   21   23 o   39.214   1.0125  1504.28   76.730  1426.23  112.070  1573.15  105.274   38.244   1.5096   40.184   1.3496 -1.940441 2.024930 
1 1 1  -14   21   24 o   22.451   1.4221  494.189   61.965  489.756   86.702  498.818   88.593   22.349   1.9985   22.552   2.0237 -0.2029305 2.844155 
1 1 1  -14   21   25 o   32.643   1.5289  1041.95   96.876   0.0000   0.0000  1041.95   96.876  ?   ?    32.643   1.5289      ?      ? 
1 1 1  -14   21   26 o   20.069   2.3267  399.863   90.643   0.0000   0.0000  399.863   90.643  ?   ?    20.069   2.3267      ?      ? 
1 1 1  -14   21   27 o   14.681   3.3117  229.948   92.133   0.0000   0.0000  229.948   92.133  ?   ?    14.681   3.3117      ?      ? 
1 1 1  -14   21   28 o   13.494   2.8159  208.216   81.786  123.906  136.985  254.916  101.951   11.648   4.4115   15.340   3.5009 -3.692101 5.631781 
1 1 1  -14   21   29 o   15.742   2.8892  280.338   86.401  289.927  145.874  275.156  107.235   15.722   4.5315   15.762   3.5855 -0.4063129E-01 5.778474 
1 1 1  -14   21   30 f   12.795   2.8996  193.212   88.340   83.512  144.971  258.006  111.415   10.595   4.3652   14.994   3.8177 -4.399452 5.799131 
1 1 1  -14   21   31 o   11.141   3.0840  126.899   95.596  143.672  149.859  115.390  124.132   11.588   4.5534   10.693   4.1605 0.8953695 6.167933 
1 1 1  -14   22    1 o  160.859   1.1214 25132.58  348.866 25061.03  473.175 25217.80  516.396  160.615   1.5176  161.104   1.6513 -0.4882813 2.242737 
1 1 1  -14   22    2 o   98.897   0.8110  9499.97  155.578  9558.62  216.334  9437.15  223.901   99.214   1.1233   98.580   1.1700 0.6344223 1.621957 
1 1 1  -14   22    3 o  115.053   0.9092 12856.55  202.808 12866.59  280.059 12845.47  294.081  115.102   1.2534  115.004   1.3173 0.9816742E-01 1.818355 
1 1 1  -14   22    4 o   77.284   0.6860  5795.60  102.829  5715.05  142.100  5884.16  148.989   76.721   0.9541   77.847   0.9859 -1.125877 1.372025 
1 1 1  -14   22    5 o  134.284   1.0183 17517.12  264.787 17527.72  362.033 17504.93  388.274  134.331   1.3884  134.236   1.4901 0.9524536E-01 2.036630 
1 1 1  -14   22    6 o   96.577   0.8086  9059.73  151.463  9107.05  210.235  9008.65  218.400   96.841   1.1184   96.314   1.1681 0.5268478 1.617188 
1 1 1  -14   22    7 o   91.310   0.7709  8094.27  136.453  8058.61  187.809  8134.14  198.591   91.098   1.0620   91.521   1.1178 -0.4235306 1.541899 
1 1 1  -14   22    8 o   60.345   0.7750  3492.11   80.877  3440.51   94.510  3633.26  156.320   59.529   0.8179   61.160   1.3167 -1.630672 1.550016 
1 1 1  -14   22    9 o   37.557   0.7800  1361.97   46.113  1383.25  101.636  1356.46   51.745   37.735   1.3875   37.380   0.7131 0.3550148 1.560064 
1 1 1  -14   22   10 o  105.000   1.1053 10694.08  213.577 10774.39  366.458 10652.77  262.829  105.278   1.7932  104.722   1.2929 0.5563965 2.210680 
1 1 1  -14   22   11 o   90.988   1.1275  8043.52  198.861  8078.63  289.402  8012.12  273.718   91.173   1.6352   90.803   1.5529 0.3701706 2.255073 
1 1 1  -14   22   12 o   94.451   1.0179  8699.77  175.451  8577.29  304.470  8760.66  214.678   93.933   1.6698   94.970   1.1645 -1.036972 2.035744 
1 1 1  -14   22   13 o   78.866   0.8851  6035.13  124.612  6061.94  226.357  6023.47  149.267   78.977   1.4765   78.755   0.9764 0.2216873 1.770115 
1 1 1  -14   22   14 o   49.292   0.7165  2337.16   56.570  2399.81  122.070  2320.02   63.838   49.700   1.2653   48.884   0.6727 0.8155556 1.433025 
1 1 1  -14   22   15 o  112.548   1.2182 12279.21  248.386 12429.93  440.031 12208.73  300.909  113.013   2.0058  112.083   1.3830 0.9307327 2.436398 
1 1 1  -14   22   16 o   22.766   0.7557  503.251   33.397   0.0000   0.0000  503.251   33.397  ?   ?    22.766   0.7557      ?      ? 
1 1 1  -14   22   17 o   41.634   0.7972  1650.53   59.441  1770.87  109.042  1599.66   70.901   42.684   1.3160   40.584   0.9000 2.100544 1.594321 
1 1 1  -14   22   18 o   79.654   0.9454  6255.49  134.037  5948.28  241.310  6392.57  161.189   78.192   1.5898   81.116   1.0237 -2.923637 1.890875 
1 1 1  -14   22   19 o   24.028   1.1489  533.346   37.392  602.769  102.184  522.612   40.179   24.861   2.1173   23.195   0.8924 1.666773 2.297702 
1 1 1  -14   22   20 o   74.335   0.9169  5332.92  119.141  5466.27  225.416  5281.23  140.346   74.945   1.5494   73.725   0.9807 1.220070 1.833701 
1 1 1  -14   22   21 o   39.554   0.8662  1583.62   54.254  1414.14  114.672  1632.51   61.583   38.111   1.5500   40.996   0.7738 -2.884701 1.732455 
1 1 1  -14   22   22 o   28.212   1.3334  755.041   70.421  859.166  119.247  699.283   87.263   29.646   2.0721   26.779   1.6787 2.867458 2.666797 
1 1 1  -14   22   23 o   30.443   1.2864  880.324   74.737  1050.22  119.902  772.373   95.576   32.769   1.8849   28.117   1.7511 4.652405 2.572830 
1 1 1  -14   22   24 o   40.049   1.0423  1562.32   80.592  1600.60  121.038  1531.83  108.017   40.478   1.5404   39.620   1.4045 0.8575554 2.084568 
1 1 1  -14   22   25 o   25.371   1.8369  631.843   90.467   0.0000   0.0000  631.843   90.467  ?   ?    25.371   1.8369      ?      ? 
1 1 1  -14   22   26 o   11.157   3.6412  125.659   90.651   0.0000   0.0000  125.659   90.651  ?   ?    11.157   3.6412      ?      ? 
1 1 1  -14   22   27 f   38.789   1.4904  1479.87  112.222   0.0000   0.0000  1479.87  112.222  ?   ?    38.789   1.4904      ?      ? 
1 1 1  -14   22   28 o   45.026   1.1748  1996.56  100.833  2048.58  159.149  1961.68  130.330   45.439   1.8043   44.613   1.5049 0.8260193 2.349566 
1 1 1  -14   22   29 o   9.0874   2.7666   14.684   83.986   62.433  144.558  -9.6462  103.188   10.326   4.3155   7.8484   3.4631 2.477861 5.533238 
1 1 1  -14   22   30 o   31.844   1.5825  1026.57   93.294  1062.08  158.379  1007.71  115.450   32.033   2.5470   31.655   1.8788 0.3780785 3.165037 
1 1 1  -14   23    1 o  152.674   1.1007 22641.72  325.326 22580.80  443.834 22712.46  478.252  152.458   1.4997  152.890   1.6114 -0.4327240 2.201324 
1 1 1  -14   23    2 o  149.119   1.0685 21618.99  308.641 21863.43  424.155 21343.91  449.954  150.021   1.4565  148.218   1.5639 1.803024 2.137071 
1 1 1  -14   23    3 o  162.474   1.1480 25676.30  360.836 25997.24  492.190 25303.37  530.567  163.580   1.5500  161.367   1.6938 2.213242 2.295973 
1 1 1  -14   23    4 o   54.421   0.5794  2869.01   61.046  2793.50   82.912  2958.41   90.215   53.641   0.7963   55.201   0.8419 -1.559780 1.158809 
1 1 1  -14   23    5 f   95.447   0.7982  8847.68  147.694  8860.63  203.676  8833.32  214.486   95.522   1.0984   95.372   1.1585 0.1500397 1.596482 
1 1 1  -14   23    6 o   77.307   0.6943  5800.06  104.071  5742.23  143.524  5864.18  151.129   76.902   0.9614   77.713   1.0018 -0.8109741 1.388526 
1 1 1  -14   23    7 o   62.056   0.6057  3739.10   72.923  3744.68  101.479  3733.15  104.862   62.104   0.8418   62.008   0.8712 0.9638977E-01 1.211411 
1 1 1  -14   23    8 o  138.544   1.0793 18647.51  290.118 18576.37  403.626 18723.54  417.292  138.273   1.5038  138.815   1.5486 -0.5422821 2.158567 
1 1 1  -14   23    9 o   71.896   1.0284  5024.08  143.478  5157.18  202.189  4889.08  203.634   72.857   1.4296   70.936   1.4788 1.921539 2.056885 
1 1 1  -14   23   10 o   37.899   0.7252  1339.25   44.388  1495.88   96.587  1297.32   49.978   39.243   1.2679   36.556   0.7043 2.687206 1.450405 
1 1 1  -14   23   11 o   70.731   0.8440  4887.03  105.204  4793.41  194.265  4925.88  125.143   70.238   1.4248   71.225   0.9051 -0.9867096 1.688002 
1 1 1  -14   23   12 o   88.406   0.9655  7579.18  154.890  7636.94  273.282  7551.85  188.003   88.637   1.5883   88.176   1.0984 0.4603577 1.931092 
1 1 1  -14   23   13 o   97.785   1.0535  9329.91  188.212  9184.68  325.775  9402.67  230.590   97.189   1.7268   98.381   1.2074 -1.192673 2.107046 
1 1 1  -14   23   14 o   94.150   1.0471  8512.04  174.776  8869.92  324.205  8365.43  207.512   95.502   1.7488   92.798   1.1520 2.703781 2.094118 
1 1 1  -14   23   15 o   28.162   0.6125  769.991   33.484   0.0000   0.0000  769.991   33.484  ?   ?    28.162   0.6125      ?      ? 
1 1 1  -14   23   16 o   58.372   0.7769  3298.59   75.816  3332.81  153.248  3287.50   87.240   58.558   1.3482   58.186   0.7724 0.3724480 1.553747 
1 1 1  -14   23   17 o   36.032   0.8746  1238.90   42.625  1294.09  114.560  1230.03   45.922   36.472   1.6181   35.592   0.6647 0.8799477 1.749291 
1 1 1  -14   23   18 o   55.813   0.8154  3059.74   74.318  2967.00  153.826  3087.98   84.881   55.237   1.4346   56.390   0.7754 -1.152664 1.630770 
1 1 1  -14   23   19 o   77.932   0.9163  5974.43  128.253  5723.18  227.612  6091.31  155.245   76.688   1.5290   79.175   1.0101 -2.486671 1.832505 
1 1 1  -14   23   20 o   41.890   0.9650  1722.64   69.390  1672.99  133.368  1741.07   81.254   41.451   1.6575   42.329   0.9889 -0.8787155 1.930078 
1 1 1  -14   23   21 o   29.766   1.0005  853.174   44.952  876.956  104.980  847.834   49.743   29.992   1.8032   29.540   0.8675 0.4518490 2.000974 
1 1 1  -14   23   22 o   28.270   1.2445  759.697   67.331  910.688  106.650  659.635   86.820   30.541   1.7989   25.999   1.7203 4.541718 2.489093 
1 1 1  -14   23   23 o   18.946   1.9286  350.012   68.623  371.307  113.702  337.812   86.065   19.357   3.0259   18.535   2.3920 0.8222046 3.857211 
1 1 1  -14   23   24 o   33.424   1.2401  1109.83   77.425  1032.74  125.709  1156.96   98.278   32.431   1.9968   34.417   1.4710 -1.985966 2.480176 
1 1 1  -14   23   25 o   15.164   2.9086  236.999   82.505   0.0000   0.0000  236.999   82.505  ?   ?    15.164   2.9086      ?      ? 
1 1 1  -14   23   26 o   42.038   1.3822  1731.39  112.796   0.0000   0.0000  1731.39  112.796  ?   ?    42.038   1.3822      ?      ? 
1 1 1  -14   23   27 o   45.914   1.4087  2071.35  125.554   0.0000   0.0000  2071.35  125.554  ?   ?    45.914   1.4087      ?      ? 
1 1 1  -14   23   28 o   29.523   1.5977  879.448   85.924  870.253  149.149  884.015  105.121   29.221   2.6294   29.826   1.8157 -0.6045666 3.195398 
1 1 1  -14   23   29 o   11.926   2.8947  158.355   80.821  100.157  147.787  183.187   96.536   11.067   4.4638   12.785   3.6868 -1.717441 5.789462 
1 1 1  -14   23   30 o   17.916   2.6670  358.060   86.149  383.420  151.972  346.051  104.575   17.795   4.4196   18.038   2.9866 -0.2432995 5.334083 
1 1 1  -14   24    1 o  131.394   1.0072 16754.19  256.033 16569.50  347.270 16974.14  378.974  130.606   1.3697  132.182   1.4770 -1.576492 2.014354 
1 1 1  -14   24    2 o   51.245   0.5836  2546.71   57.840  2517.85   78.297  2581.37   85.816   50.926   0.7920   51.563   0.8574 -0.6371880 1.167211 
1 1 1  -14   24    3 o  105.252   0.8519 10737.97  173.648 10469.64  236.462 11052.07  255.830  103.829   1.1732  106.675   1.2354 -2.845551 1.703743 
1 1 1  -14   24    4 o   80.051   0.7134  6223.25  110.848  6313.95  156.288  6131.45  157.241   80.638   0.9984   79.463   1.0194 1.174698 1.426885 
1 1 1  -14   24    5 o   90.471   0.7667  7948.10  134.580  7944.21  187.374  7952.25  193.420   90.448   1.0672   90.493   1.1011 -0.4434967E-01 1.533395 
1 1 1  -14   24    6 o   99.573   0.8224  9630.59  158.862  9677.17  221.117  9580.89  228.388   99.823   1.1411   99.323   1.1846 0.5000229 1.644783 
1 1 1  -14   24    7 o  136.963   1.0289 18213.76  272.663 18087.20  370.281 18363.68  403.000  136.449   1.3980  137.478   1.5101 -1.028503 2.057843 
1 1 1  -14   24    8 o   51.905   0.5571  2614.38   56.084  2583.96   77.612  2647.64   81.135   51.590   0.7750   52.221   0.8004 -0.6313210 1.114109 
1 1 1  -14   24    9 o  117.800   1.2065 13497.47  264.412 13454.24  441.960 13521.57  329.981  117.629   1.9355  117.971   1.4409 -0.3420715 2.413020 
1 1 1  -14   24   10 o  111.023   1.1704 12053.04  243.363 11699.35  397.759 12264.67  307.670  109.692   1.8680  112.354   1.4107 -2.662048 2.340834 
1 1 1  -14   24   11 o   87.388   3.5115  7307.19  261.855  7283.37  268.658  7759.59  1171.03   86.561   1.5989   88.214   6.8386 -1.652420 7.023004 
1 1 1  -14   24   12 o   35.047   5.7639  1606.84  111.902  1620.90  112.699  624.273  942.143   40.841   1.4216   29.252   11.440 11.58820 11.52775 
1 1 1  -14   24   13 o   71.149   0.8649  4883.24  108.436  5000.62  202.419  4836.00  128.417   71.731   1.4537   70.568   0.9375 1.163086 1.729778 
1 1 1  -14   24   14 o   85.298   0.9694  6994.84  147.487  7262.10  270.471  6881.73  175.948   86.424   1.6122   84.171   1.0769 2.253120 1.938768 
1 1 1  -14   24   15 o   52.672   0.7546  2748.90   64.554  2596.55  133.751  2795.16   73.707   51.689   1.3330   53.655   0.7077 -1.965260 1.509206 
1 1 1  -14   24   16 o   46.577   0.7755  2019.45   52.985  2244.38  130.830  1975.32   57.950   48.050   1.4027   45.105   0.6619 2.944439 1.550975 
1 1 1  -14   24   17 o   13.668   1.9867  207.804   27.879  155.811  102.441  211.963   28.973   12.566   3.8427   14.771   1.0105 -2.204845 3.973346 
1 1 1  -14   24   18 o   57.930   0.7946  3285.20   77.620  3212.77  153.612  3310.03   89.947   57.480   1.3767   58.380   0.7937 -0.8996315 1.589110 
1 1 1  -14   24   19 o   33.146   0.9738  1092.10   43.469  1036.22  114.601  1101.49   46.980   32.615   1.8101   33.678   0.7186 -1.063316 1.947547 
1 1 1  -14   24   20 o   61.943   0.8420  3723.98   88.343  3744.39  174.882  3716.98  102.364   62.031   1.4524   61.856   0.8525 0.1746521 1.684072 
1 1 1  -14   24   21 f   8.9731   2.3558   24.812   39.574  142.298  113.798   8.6501   42.208   12.260   4.0835   5.6863   2.3503 6.573597 4.711617 
1 1 1  -14   24   22 o   52.018   0.9405  2644.43   94.474  2537.92  139.275  2735.21  128.578   51.034   1.4059   53.003   1.2497 -1.968555 1.881012 
1 1 1  -14   24   23 o   31.443   1.2087  970.292   72.706  942.979  111.927  990.229   95.629   31.039   1.8576   31.848   1.5468 -0.8090439 2.417335 
1 1 1  -14   24   24 o   64.981   1.0221  4134.05  128.090  4039.33  191.138  4211.27  172.574   64.278   1.5319   65.684   1.3535 -1.405746 2.044129 
1 1 1  -14   24   25 o   37.756   1.0186  1389.72   74.224  1439.16  111.918  1350.90   99.173   38.340   1.5038   37.172   1.3744 1.167767 2.037234 
1 1 1  -14   24   26 o   17.186   2.4805  295.924   82.753   0.0000   0.0000  295.924   82.753  ?   ?    17.186   2.4805      ?      ? 
1 1 1  -14   24   27 o   22.432   2.0765  501.548   90.423   0.0000   0.0000  501.548   90.423  ?   ?    22.432   2.0765      ?      ? 
1 1 1  -14   24   28 o   12.291   2.9595  146.507   79.228  219.869  144.734  115.119   94.671   13.926   4.6037   10.656   3.7204 3.269635 5.919040 
1 1 1  -14   24   29 o   30.346   1.6405  967.278   88.695  855.553  154.843  1021.84  108.205   28.688   2.7805   32.004   1.7417 -3.315752 3.280985 
1 1 1  -14   24   30 o   10.855   3.0068  113.302   87.888  123.541  155.617  108.507  106.498   11.352   4.5799   10.358   3.8973 0.9944525 6.013660 
1 1 1  -14   25    1 o   79.429   0.7221  6121.94  111.230  6032.17  153.519  6221.15  161.382   78.817   1.0034   80.041   1.0387 -1.223778 1.444180 
1 1 1  -14   25    2 o  130.321   0.9992 16495.18  252.439 16434.67  347.743 16562.59  367.044  130.071   1.3773  130.570   1.4481 -0.4994202 1.998478 
1 1 1  -14   25    3 o   46.722   0.5676  2116.43   51.397  2069.81   70.452  2169.46   75.146   46.173   0.7860   47.271   0.8189 -1.097851 1.135120 
1 1 1  -14   25    4 o   20.127   0.7754  393.941   30.221  401.836   41.554  385.076   44.031   20.342   1.0523   19.913   1.1391 0.4295979 1.550790 
1 1 1  -14   25    5 o   85.987   0.7556  7181.50  126.068  7232.30  176.054  7128.03  180.607   86.300   1.0509   85.674   1.0860 0.6258316 1.511220 
1 1 1  -14   25    6 o   47.564   0.5469  2196.01   50.371  2190.10   68.818  2202.83   73.928   47.496   0.7464   47.633   0.7995 -0.1368790 1.093794 
1 1 1  -14   25    7 o   71.148   0.6613  4908.54   91.201  4799.93  125.040  5031.98  133.310   70.309   0.9162   71.987   0.9540 -1.678276 1.322671 
1 1 1  -14   25    8 o   94.242   0.8373  8617.36  153.049  8416.10  211.385  8839.12  221.885   93.088   1.1698   95.397   1.1982 -2.309151 1.674559 
1 1 1  -14   25    9 o  173.239   1.6234 29184.96  533.442 29310.71  850.983 29103.56  684.657  173.497   2.5268  172.981   2.0390 0.5167236 3.246823 
1 1 1  -14   25   10 o  126.698   1.4721 15618.05  362.010 15943.23  513.966 15297.89  509.977  128.009   2.0684  125.387   2.0952 2.621468 2.944177 
1 1 1  -14   25   11 o   60.056   4.6959  3565.17  161.215  3563.84  163.064  3622.49  1073.77   60.560   1.3871   59.551   9.2888 1.009209 9.391761 
1 1 1  -14   25   12 o   64.759   4.6488  4316.56  182.416  4324.37  184.884  4029.87  1120.18   66.707   1.4278   62.810   9.1874 3.896152 9.297655 
1 1 1  -14   25   13 o  129.435   2.2851 16316.10  574.151 16316.10  574.151   0.0000   0.0000  129.435   2.2851  ?   ?       ?      ? 
1 1 1  -14   25   14 o   69.962   1.4615  4757.84  198.486  4757.84  198.486   0.0000   0.0000   69.962   1.4615  ?   ?       ?      ? 
1 1 1  -14   25   15 o   31.083   0.8887  870.570   28.695  1022.62  107.048  858.799   29.785   32.424   1.7008   29.743   0.5159 2.680830 1.777302 
1 1 1  -14   25   16 o   31.913   0.9270  959.258   33.163  1028.14  111.279  952.544   34.742   32.503   1.7637   31.323   0.5714 1.180225 1.853926 
1 1 1  -14   25   17 o   29.502   0.9998  851.910   34.612  839.332  108.061  853.348   36.537   29.358   1.8962   29.646   0.6349 -0.2876987 1.999620 
1 1 1  -14   25   18 o   59.466   0.7938  3389.27   78.885  3530.83  160.752  3344.37   90.536   60.252   1.3744   58.680   0.7948 1.572117 1.587692 
1 1 1  -14   25   19 o   36.491   0.9449  1292.20   46.520  1298.92  124.189  1291.10   50.173   36.519   1.7518   36.462   0.7089 0.5750656E-01 1.889820 
1 1 1  -14   25   20 o   47.986   0.8728  2282.09   77.772  2084.94  127.422  2399.13   98.181   46.288   1.4181   49.684   1.0180 -3.396610 1.745682 
1 1 1  -14   25   21 o   20.150   1.5051  386.726   39.759  411.253  111.169  383.128   42.576   20.453   2.8001   19.848   1.1050 0.6046295 3.010220 
1 1 1  -14   25   22 o   26.610   1.4517  699.918   69.966  675.094  122.367  711.975   85.282   26.213   2.4049   27.008   1.6267 -0.7956581 2.903342 
1 1 1  -14   25   23 o   63.162   1.0248  3915.92  124.753  3665.81  184.130  4128.15  169.616   61.263   1.5483   65.062   1.3430 -3.799290 2.049622 
1 1 1  -14   25   24 o   21.720   1.6190  466.668   67.229  459.816  104.070  471.576   88.071   21.550   2.4878   21.890   2.0726 -0.3399391 3.238019 
1 1 1  -14   25   25 o   16.378   2.1253  280.881   64.538  240.676   98.798  310.806   85.238   15.092   3.4479   17.664   2.4859 -2.571927 4.250666 
1 1 1  -14   25   26 o   25.570   1.7792  645.935   88.311   0.0000   0.0000  645.935   88.311  ?   ?    25.570   1.7792      ?      ? 
1 1 1  -14   25   27 o   19.372   2.4049  377.746   90.438   0.0000   0.0000  377.746   90.438  ?   ?    19.372   2.4049      ?      ? 
1 1 1  -14   25   28 o   27.441   1.6474  765.296   81.076  755.443  144.591  769.815   97.918   27.085   2.7501   27.796   1.8147 -0.7110996 3.294885 
1 1 1  -14   25   29 o   10.718   2.9442   99.997   82.860  137.074  147.281   82.827  100.226   11.730   4.5408   9.7069   3.7491 2.023208 5.888490 
1 1 1  -14   25   30 o   21.244   2.4609  498.229   90.493  523.080  164.029  487.356  108.498   20.929   4.1838   21.560   2.5925 -0.6312351 4.921883 
1 1 1  -14   26    1 o   40.984   0.5858  1620.20   46.385  1526.90   62.073  1738.19   69.802   39.657   0.8063   42.311   0.8499 -2.654255 1.171514 
1 1 1  -14   26    2 o  107.545   0.8789 11235.29  183.346 11264.74  254.523 11203.53  264.337  107.693   1.2175  107.397   1.2679 0.2962036 1.757841 
1 1 1  -14   26    3 o   65.179   0.6364  4113.40   80.359  3952.05  109.539  4301.44  118.249   63.799   0.8845   66.558   0.9152 -2.759548 1.272776 
1 1 1  -14   26    4 o   60.078   0.6011  3502.90   70.013  3476.20   96.392  3532.71  101.859   59.836   0.8299   60.319   0.8699 -0.4833908 1.202271 
1 1 1  -14   26    5 o   44.220   0.5446  1898.53   46.721  1900.11   65.055  1896.86   67.140   44.240   0.7575   44.201   0.7825 0.3826904E-01 1.089116 
1 1 1  -14   26    6 o   27.509   1.0143  778.541   39.725  800.716   43.681  672.487   95.525   28.718   0.7836   26.300   1.8711 2.418396 2.028561 
1 1 1  -14   26    7 o   75.666   0.6888  5554.66  101.065  5459.91  139.262  5660.09  146.899   74.986   0.9567   76.347   0.9912 -1.360977 1.377613 
1 1 1  -14   26    8 o  124.180   1.0730 14965.45  258.382 14588.09  355.711 15386.97  375.944  122.527   1.4955  125.834   1.5391 -3.306015 2.146021 
1 1 1  -14   26    9 o   73.226   1.0411  5209.33  147.916  5438.73  210.976  4987.56  207.437   74.812   1.4528   71.639   1.4917 3.172478 2.082207 
1 1 1  -14   26   10 o   59.355   0.9176  3414.41  105.588  3609.03  153.971  3241.63  145.073   60.947   1.3014   57.762   1.2938 3.185112 1.835135 
1 1 1  -14   26   11 o   85.496   1.6319  7106.23  270.841  7106.23  270.841   0.0000   0.0000   85.496   1.6319  ?   ?       ?      ? 
1 1 1  -14   26   12 o   18.430   2.8064  331.319  100.398  331.319  100.398   0.0000   0.0000   18.430   2.8064  ?   ?       ?      ? 
1 1 1  -14   26   13 o   93.970   1.7526  8588.57  319.699  8588.57  319.699   0.0000   0.0000   93.970   1.7526  ?   ?       ?      ? 
1 1 1  -14   26   14 o   75.809   1.5464  5587.71  227.566  5587.71  227.566   0.0000   0.0000   75.809   1.5464  ?   ?       ?      ? 
1 1 1  -14   26   15 o   48.876   1.4587  2322.55  138.394  2322.55  138.394   0.0000   0.0000   48.876   1.4587  ?   ?       ?      ? 
1 1 1  -14   26   16 o   22.067   1.2028  403.260   22.477  558.658  108.381  396.276   22.976   23.931   2.3331   20.203   0.5859 3.728155 2.405506 
1 1 1  -14   26   17 o   97.050   1.0881  9223.66  191.129  8990.81  335.954  9335.09  232.405   96.098   1.8009   98.002   1.2216 -1.903938 2.176198 
1 1 1  -14   26   18 o   35.254   0.9556  1271.17   42.625  1127.93  118.845  1292.31   45.663   34.028   1.7992   36.481   0.6448 -2.453270 1.911284 
1 1 1  -14   26   19 o   60.794   0.8329  3562.20   83.792  3652.59  172.535  3534.30   95.855   61.269   1.4507   60.320   0.8186 0.9487534 1.665730 
1 1 1  -14   26   20 o   13.642   2.1330  188.678   36.324  177.395  112.827  189.983   38.367   13.312   4.0246   13.971   1.4147 -0.6595201 4.265981 
1 1 1  -14   26   21 o   25.020   0.9963  581.804   39.788  659.704   88.254  561.932   44.575   25.998   1.7488   24.041   0.9551 1.956558 1.992589 
1 1 1  -14   26   22 o   45.030   1.0109  1994.61   84.562  1915.68  140.374  2039.56  105.942   44.293   1.6326   45.767   1.1925 -1.473782 2.021731 
1 1 1  -14   26   23 o   27.728   1.4356  767.505   71.392  721.395  126.196  789.208   86.578   27.040   2.4042   28.415   1.5696 -1.375137 2.871189 
1 1 1  -14   26   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   26   25 o   11.074   2.6181  124.362   65.570   85.258  115.419  142.997   79.676   10.471   4.0291   11.676   3.3443 -1.204837 5.236225 
1 1 1  -14   26   26 o   6.8067   3.0806 -38.7085   87.347   0.0000   0.0000 -38.7085   87.347  ?   ?    6.8067   3.0806      ?      ? 
1 1 1  -14   26   27 o   23.891   2.0782  570.304   96.378   0.0000   0.0000  570.304   96.378  ?   ?    23.891   2.0782      ?      ? 
1 1 1  -14   26   28 o   15.608   2.5761  244.047   75.591  401.511  129.682  163.016   93.029   19.072   3.6356   12.144   3.6507 6.928329 5.152147 
1 1 1  -14   26   29 o   11.992   2.7864  167.295   83.356   32.638  146.900  231.242  101.231   9.7318   4.2158   14.252   3.6447 -4.520285 5.572891 
1 1 1  -14   26   30 o   11.223   3.0227   91.472   87.831  258.496  162.380   22.397  104.425   14.153   4.8763   8.2925   3.5734 5.860802 6.045430 
1 1 1  -14   27    1 o   52.488   0.5973  2669.93   60.769  2589.87   83.221  2761.38   88.945   51.647   0.8301   53.329   0.8592 -1.682018 1.194676 
1 1 1  -14   27    2 o   66.979   0.6493  4358.21   84.341  4411.53  117.150  4300.84  121.524   67.405   0.8953   66.553   0.9407 0.8524017 1.298638 
1 1 1  -14   27    3 o   90.858   0.7749  8017.71  136.611  8036.92  190.588  7997.41  195.917   90.971   1.0793   90.746   1.1122 0.2255173 1.549772 
1 1 1  -14   27    4 o   70.539   0.6652  4832.61   91.032  4867.04  126.943  4796.16  130.612   70.799   0.9237   70.280   0.9574 0.5185089 1.330322 
1 1 1  -14   27    5 o   77.609   0.6931  5850.30  104.288  5878.65  144.065  5819.10  151.160   77.808   0.9538   77.411   1.0059 0.3970337 1.386251 
1 1 1  -14   27    6 o   85.507   0.7569  7100.67  125.611  7112.00  176.296  7088.98  179.016   85.577   1.0613   85.437   1.0794 0.1394424 1.513724 
1 1 1  -14   27    7 o  107.646   0.9314 11252.41  194.562 11074.28  271.160 11441.43  279.326  106.769   1.3083  108.523   1.3259 -1.754128 1.862749 
1 1 1  -14   27    8 o   66.922   1.0052  4348.76  130.505  4565.22  187.115  4143.71  182.112   68.544   1.4063   65.301   1.4367 3.242592 2.010384 
1 1 1  -14   27    9 o   24.564   1.4923  585.114   70.657  570.159   93.960  604.576  107.190   24.208   1.9995   24.921   2.2158 -0.7130585 2.984580 
1 1 1  -14   27   10 o   32.916   1.0199  1054.18   65.090  1015.22   93.152  1091.35   90.988   32.320   1.4848   33.512   1.3987 -1.192402 2.039801 
1 1 1  -14   27   11 o   53.863   1.3851  2819.30  144.824  2819.30  144.824   0.0000   0.0000   53.863   1.3851  ?   ?       ?      ? 
1 1 1  -14   27   12 o   46.162   1.4374  2071.11  128.807  2071.11  128.807   0.0000   0.0000   46.162   1.4374  ?   ?       ?      ? 
1 1 1  -14   27   13 f   32.182   1.7547  1007.45  109.621  1007.45  109.621   0.0000   0.0000   32.182   1.7547  ?   ?       ?      ? 
1 1 1  -14   27   14 o  114.954   2.0778 12868.09  463.647 12868.09  463.647   0.0000   0.0000  114.954   2.0778  ?   ?       ?      ? 
1 1 1  -14   27   15 o   58.458   1.4504  3322.87  164.592  3322.87  164.592   0.0000   0.0000   58.458   1.4504  ?   ?       ?      ? 
1 1 1  -14   27   16 o   72.141   1.4869  5061.64  208.218  5061.64  208.218   0.0000   0.0000   72.141   1.4869  ?   ?       ?      ? 
1 1 1  -14   27   17 o   69.652   0.8643  4646.21  102.229  4860.97  203.541  4573.75  118.221   70.686   1.4834   68.618   0.8876 2.068275 1.728635 
1 1 1  -14   27   18 o   51.253   0.9272  2637.05   84.700  2339.96  149.184  2778.37  102.891   49.033   1.5673   53.474   0.9912 -4.440247 1.854481 
1 1 1  -14   27   19 o   67.576   0.8506  4419.37   98.718  4485.42  191.710  4395.54  115.159   67.890   1.4547   67.263   0.8820 0.6269684 1.701188 
1 1 1  -14   27   20 o   93.749   1.0753  8551.76  179.301  8582.25  327.624  8538.72  214.230   93.802   1.7993   93.696   1.1779 0.1064148 2.150528 
1 1 1  -14   27   21 o   13.849   2.0767  166.244   38.428  233.651  111.060  157.076   40.959   15.012   3.8059   12.686   1.6632 2.325988 4.153446 
1 1 1  -14   27   22 o   31.411   1.0299  948.147   61.660  1036.59   98.632  891.409   79.000   32.584   1.5594   30.239   1.3459 2.345034 2.059849 
1 1 1  -14   27   23 o   9.8537   2.5056   56.936   60.578  153.804  107.581   11.962   73.304   12.371   3.9606   7.3363   3.0701 5.034748 5.011194 
1 1 1  -14   27   24 o   59.059   0.9998  3388.89  112.246  3516.24  179.230  3306.72  143.977   59.925   1.5408   58.193   1.2746 1.732014 1.999624 
1 1 1  -14   27   25 o   9.8504   2.4812   84.862   66.358 -34.6515  117.936  140.226   80.270   8.1475   3.6422   11.553   3.3706 -3.405684 4.962481 
1 1 1  -14   27   26 o   17.860   1.8049  321.152   62.428  353.117   90.882  292.593   85.902   18.712   2.5020   17.007   2.6020 1.705002 3.609770 
1 1 1  -14   27   27 o   9.0718   3.6018   57.698   94.675   0.0000   0.0000   57.698   94.675  ?   ?    9.0718   3.6018      ?      ? 
1 1 1  -14   27   28 o   9.4311   3.7004   71.410   98.832   0.0000   0.0000   71.410   98.832  ?   ?    9.4311   3.7004      ?      ? 
1 1 1  -14   27   29 o   8.6933   2.7338  -4.1155   86.928   24.479  152.794 -17.8003  105.702   9.6910   4.2471   7.6956   3.4435 1.995442 5.467678 
1 1 1  -14   28    1 o  108.234   1.0134 11402.05  206.347 11299.42  335.405 11464.56  261.743  107.827   1.6024  108.640   1.2411 -0.8134079 2.026863 
1 1 1  -14   28    2 o   35.459   0.5963  1220.15   41.031  1175.04   57.374  1267.38   58.702   34.788   0.8496   36.129   0.8370 -1.341274 1.192652 
1 1 1  -14   28    3 o   52.280   0.7684  2692.42   73.231  2541.92  125.918  2769.33   90.020   51.155   1.2680   53.406   0.8683 -2.250694 1.536860 
1 1 1  -14   28    4 o   41.900   0.5617  1702.05   45.599  1667.58   62.287  1741.86   66.938   41.444   0.7742   42.356   0.8141 -0.9123077 1.123497 
1 1 1  -14   28    5 o   88.126   0.7593  7543.88  129.844  7608.84  181.760  7476.17  185.554   88.514   1.0578   87.738   1.0895 0.7766342 1.518543 
1 1 1  -14   28    6 o   45.681   0.5351  2021.82   47.380  1954.77   64.855  2098.57   69.384   44.871   0.7446   46.491   0.7688 -1.620712 1.070272 
1 1 1  -14   28    7 f   57.854   0.5935  3247.96   66.587  3205.81   91.910  3294.52   96.600   57.460   0.8240   58.249   0.8543 -0.7887726 1.186962 
1 1 1  -14   28    8 o   20.308   1.7140  400.371   67.380  419.025   99.902  384.804   91.261   20.739   2.4815   19.878   2.3651 0.8615170 3.428088 
1 1 1  -14   28    9 o   56.023   0.9822  3050.79  106.752  3078.08  148.761  3021.82  153.281   56.283   1.3616   55.763   1.4160 0.5192719 1.964456 
1 1 1  -14   28   10 o   92.091   1.6984  8246.30  303.615  8246.30  303.615   0.0000   0.0000   92.091   1.6984  ?   ?       ?      ? 
1 1 1  -14   28   11 o   31.817   1.7062  984.422  105.381  984.422  105.381   0.0000   0.0000   31.817   1.7062  ?   ?       ?      ? 
1 1 1  -14   28   12 o   85.745   1.6538  7149.58  275.268  7149.58  275.268   0.0000   0.0000   85.745   1.6538  ?   ?       ?      ? 
1 1 1  -14   28   13 o   54.653   1.4386  2903.60  152.625  2903.60  152.625   0.0000   0.0000   54.653   1.4386  ?   ?       ?      ? 
1 1 1  -14   28   14 o   36.359   1.7401  1286.23  122.817  1286.23  122.817   0.0000   0.0000   36.359   1.7401  ?   ?       ?      ? 
1 1 1  -14   28   15 o   76.446   1.5450  5684.67  229.275  5684.67  229.275   0.0000   0.0000   76.446   1.5450  ?   ?       ?      ? 
1 1 1  -14   28   16 o   18.617   2.5783  338.523   93.178  338.523   93.178   0.0000   0.0000   18.617   2.5783  ?   ?       ?      ? 
1 1 1  -14   28   17 o   78.057   0.9721  5864.35  134.329  6077.52  249.453  5777.29  159.416   79.013   1.6264   77.102   1.0651 1.910484 1.944138 
1 1 1  -14   28   18 o  124.175   1.3582 15141.51  309.540 14683.99  528.638 15380.22  381.845  122.647   2.2204  125.702   1.5649 -3.055275 2.716454 
1 1 1  -14   28   19 o   44.211   0.9288  1904.45   68.360  1895.67  138.488  1907.27   78.603   44.117   1.6171   44.304   0.9140 -0.1873970 1.857518 
1 1 1  -14   28   20 f   76.386   1.0437  5686.04  153.365  5672.18  232.837  5696.67  203.827   76.284   1.5724   76.488   1.3728 -0.2030258 2.087314 
1 1 1  -14   28   21 o   73.037   0.9455  5220.48  117.068  5149.94  230.237  5245.07  135.955   72.634   1.6329   73.440   0.9537 -0.8058395 1.891016 
1 1 1  -14   28   22 o   36.353   1.1233  1343.03   70.085  1177.99  130.912  1409.34   82.977   34.664   1.9455   38.042   1.1237 -3.377754 2.246689 
1 1 1  -14   28   23 o   12.935   2.4135  164.519   58.077  205.844  104.438  146.018   69.878   14.002   3.7620   11.867   3.0245 2.135299 4.827072 
1 1 1  -14   28   24 o   33.882   1.1218  1135.50   70.629  1091.81  117.138  1160.46   88.532   33.313   1.8114   34.452   1.3238 -1.139755 2.243597 
1 1 1  -14   28   25 o   63.311   0.9808  3935.96  120.367  3711.50  170.800  4157.41  169.654   61.495   1.4308   65.127   1.3419 -3.632721 1.961648 
1 1 1  -14   28   26 o   27.499   1.3120  746.970   69.742  780.154  104.362  720.191   93.750   28.029   1.9181   26.970   1.7907 1.059574 2.624062 
1 1 1  -14   28   27 o   31.527   1.7833  988.573  109.137   0.0000   0.0000  988.573  109.137  ?   ?    31.527   1.7833      ?      ? 
1 1 1  -14   28   28 o   14.422   3.3808  230.624   93.000   0.0000   0.0000  230.624   93.000  ?   ?    14.422   3.3808      ?      ? 
1 1 1  -14   28   29 o   16.093   2.6777  250.189   81.609  505.469  148.830  140.431   97.589   20.991   3.7921   11.194   3.7817 9.796529 5.355444 
1 1 1  -14   29    1 o   34.528   0.5995  1158.14   40.101  1166.17   55.091  1149.09   58.485   34.656   0.8189   34.400   0.8758 0.2556152 1.199028 
1 1 1  -14   29    2 o   32.753   0.6863  1043.51   43.343  1025.96   64.874  1057.67   58.251   32.502   1.0282   33.003   0.9092 -0.5006828 1.372586 
1 1 1  -14   29    3 o   45.138   0.5618  1975.25   49.125  1934.00   67.074  2022.98   72.149   44.631   0.7742   45.645   0.8143 -1.014400 1.123581 
1 1 1  -14   29    4 o   49.567   0.8086  2429.06   67.399  2473.51   78.210  2300.77  132.862   50.473   0.7982   48.660   1.4066 1.813107 1.617296 
1 1 1  -14   29    5 o   96.774   0.8329  9097.17  156.373  9096.41  217.505  9097.99  224.973   96.771   1.1579   96.777   1.1976 -0.5744934E-02 1.665766 
1 1 1  -14   29    6 o   40.994   0.5232  1631.40   41.621  1640.06   59.643  1623.18   58.109   41.100   0.7476   40.888   0.7321 0.2118568 1.046357 
1 1 1  -14   29    7 o   54.599   0.8012  2796.32   71.676  2715.05   81.232  3082.05  152.313   52.880   0.7914   56.318   1.3932 -3.438103 1.602304 
1 1 1  -14   29    8 o   64.284   1.0303  4014.99  128.442  3990.92  177.549  4041.42  186.038   64.084   1.4273   64.484   1.4862 -0.4007492 2.060571 
1 1 1  -14   29    9 o   54.086   0.9707  2841.45  101.896  2903.24  145.980  2782.74  142.297   54.659   1.3758   53.513   1.3698 1.146038 1.941484 
1 1 1  -14   29   10 o   8.8760   3.4070   51.465   82.401   51.465   82.401   0.0000   0.0000   8.8760   3.4070  ?   ?       ?      ? 
1 1 1  -14   29   11 o   47.692   1.3757  2210.52  127.364  2210.52  127.364   0.0000   0.0000   47.692   1.3757  ?   ?       ?      ? 
1 1 1  -14   29   12 o   27.979   1.9505  761.940  105.938  761.940  105.938   0.0000   0.0000   27.979   1.9505  ?   ?       ?      ? 
1 1 1  -14   29   13 f   53.956   1.4229  2830.16  149.035  2830.16  149.035   0.0000   0.0000   53.956   1.4229  ?   ?       ?      ? 
1 1 1  -14   29   14 o   50.413   1.3982  2471.01  136.827  2471.01  136.827   0.0000   0.0000   50.413   1.3982  ?   ?       ?      ? 
1 1 1  -14   29   15 o   89.912   1.6981  7867.25  296.385  7867.25  296.385   0.0000   0.0000   89.912   1.6981  ?   ?       ?      ? 
1 1 1  -14   29   16 o   7.6463   3.4313 -48.3982  105.754 -48.3982  105.754   0.0000   0.0000   7.6463   3.4313  ?   ?       ?      ? 
1 1 1  -14   29   17 o   63.319   1.5287  3901.51  187.898  3901.51  187.898   0.0000   0.0000   63.319   1.5287  ?   ?       ?      ? 
1 1 1  -14   29   18 o   13.075   1.8402  143.921   25.824  206.244   95.625  139.018   26.821   14.192   3.4943   11.958   1.1555 2.234299 3.680382 
1 1 1  -14   29   19 o  100.954   1.1485 10036.84  208.980  9639.46  368.667 10224.98  253.671   99.391   1.9108  102.517   1.2747 -3.125763 2.296975 
1 1 1  -14   29   20 o   19.110   1.4807  361.623   30.531  352.358  104.092  362.495   31.935   18.907   2.8361   19.312   0.8519 -0.4049797 2.961304 
1 1 1  -14   29   21 o   62.766   0.9507  3869.59  113.296  3688.61  177.669  3993.61  147.079   61.490   1.4885   64.042   1.1831 -2.551918 1.901402 
1 1 1  -14   29   22 o   44.741   0.9847  1977.94   73.908  1905.38  146.714  2002.62   85.557   44.120   1.7131   45.362   0.9716 -1.241711 1.969420 
1 1 1  -14   29   23 o   67.440   1.0390  4459.88  132.979  4386.81  210.606  4508.32  171.488   66.925   1.6211   67.955   1.3000 -1.029922 2.077985 
1 1 1  -14   29   24 o   11.521   2.1771  159.430   58.944 -51.1934  124.470  220.320   66.925   8.1604   3.6868   14.882   2.3167 -6.721349 4.354232 
1 1 1  -14   29   25 o   43.856   1.0449  1886.95   84.423  1904.31  144.396  1877.94  104.062   43.921   1.6936   43.792   1.2242 0.1289787 2.089733 
1 1 1  -14   29   26 o   21.591   1.8314  504.420   67.114  399.727  122.525  549.297   80.219   19.632   3.2150   23.550   1.7547 -3.917950 3.662712 
1 1 1  -14   29   27 o   33.676   1.4874  1120.79   97.232   0.0000   0.0000  1120.79   97.232  ?   ?    33.676   1.4874      ?      ? 
1 1 1  -14   29   28 o   12.542   3.5825  177.184   91.558   0.0000   0.0000  177.184   91.558  ?   ?    12.542   3.5825      ?      ? 
1 1 1  -14   29   29 o   9.4979   2.8318   40.367   78.382  125.728  157.317   12.178   90.403   11.336   4.5938   7.6596   3.3127 3.676453 5.663654 
1 1 1  -14   30    1 o   51.005   0.7508  2533.47   70.396  2505.65  120.494  2547.88   86.738   50.786   1.2222   51.224   0.8723 -0.4375267 1.501598 
1 1 1  -14   30    2 o   58.630   0.6101  3336.55   69.418  3428.31   99.270  3248.74   97.110   59.419   0.8607   57.842   0.8649 1.577126 1.220137 
1 1 1  -14   30    3 o   6.3861   1.7478   20.498   32.618 -10.8370   49.042   45.356   43.680   5.5288   2.4150   7.2434   2.5272 -1.714557 3.495516 
1 1 1  -14   30    4 o   60.511   0.6151  3555.93   72.223  3573.26  101.011  3537.80  103.304   60.662   0.8578   60.360   0.8817 0.3025017 1.230109 
1 1 1  -14   30    5 o   82.900   0.7583  6675.46  122.018  6637.08  173.639  6712.89  171.500   82.664   1.0821   83.136   1.0627 -0.4718170 1.516661 
1 1 1  -14   30    6 o   86.538   1.0129  7304.66  157.422  7349.44  189.857  7206.14  281.607   86.984   1.1244   86.091   1.6851 0.8936996 2.025779 
1 1 1  -14   30    7 o   32.718   0.8845  1005.68   37.948  993.883   40.602  1087.18  106.708   31.996   0.6537   33.440   1.6439 -1.444416 1.769068 
1 1 1  -14   30    8 o   85.824   1.1764  7161.55  195.987  7207.39  277.855  7116.16  276.485   86.097   1.6625   85.551   1.6649 0.5468903 2.352817 
1 1 1  -14   30    9 o   75.665   1.1027  5566.58  161.914  5718.57  229.057  5414.79  228.905   76.699   1.5385   74.631   1.5801 2.068130 2.205328 
1 1 1  -14   30   10 o   26.401   1.7030  677.854   87.279  677.854   87.279   0.0000   0.0000   26.401   1.7030  ?   ?       ?      ? 
1 1 1  -14   30   11 f   37.722   1.4658  1383.23  107.333  1383.23  107.333   0.0000   0.0000   37.722   1.4658  ?   ?       ?      ? 
1 1 1  -14   30   12 f   79.013   1.5587  6070.82  239.066  6070.82  239.066   0.0000   0.0000   79.013   1.5587  ?   ?       ?      ? 
1 1 1  -14   30   13 o   51.287   1.3472  2556.91  134.125  2556.91  134.125   0.0000   0.0000   51.287   1.3472  ?   ?       ?      ? 
1 1 1  -14   30   14 o   94.905   1.7488  8767.01  322.170  8767.01  322.170   0.0000   0.0000   94.905   1.7488  ?   ?       ?      ? 
1 1 1  -14   30   15 o   7.3009   3.3087 -57.5310  101.147 -57.5310  101.147   0.0000   0.0000   7.3009   3.3087  ?   ?       ?      ? 
1 1 1  -14   30   16 o   51.238   1.5304  2554.82  152.213  2554.82  152.213   0.0000   0.0000   51.238   1.5304  ?   ?       ?      ? 
1 1 1  -14   30   17 o   30.071   1.8557  881.204  108.321  881.204  108.321   0.0000   0.0000   30.071   1.8557  ?   ?       ?      ? 
1 1 1  -14   30   18 o   94.865   1.8118  8772.71  333.643  8772.71  333.643   0.0000   0.0000   94.865   1.8118  ?   ?       ?      ? 
1 1 1  -14   30   19 o   49.646   0.8374  2504.23   62.007  2232.78  141.786  2568.43   68.951   47.871   1.5258   51.421   0.6908 -3.550903 1.674882 
1 1 1  -14   30   20 o   29.801   1.1551  888.256   34.852  841.712  126.617  892.071   36.253   29.297   2.2264   30.305   0.6163 -1.008066 2.310155 
1 1 1  -14   30   21 f   25.417   1.1449  669.044   34.577  584.076  102.977  679.841   36.709   24.386   2.1754   26.449   0.7150 -2.063095 2.289878 
1 1 1  -14   30   22 o   28.680   1.0942  836.089   37.983  763.862  112.074  845.461   40.372   27.868   2.0717   29.491   0.7052 -1.623146 2.188463 
1 1 1  -14   30   23 o   31.818   1.1709  1050.36   60.222  887.329  121.516  1103.44   69.336   29.990   2.0874   33.646   1.0616 -3.656282 2.341806 
1 1 1  -14   30   24 o   63.004   1.0071  3920.76  120.492  3747.57  188.933  4039.49  156.434   61.751   1.5762   64.257   1.2541 -2.506596 2.014233 
1 1 1  -14   30   25 o   46.059   1.0225  2108.97   85.803  2016.97  147.971  2155.58  105.317   45.187   1.6869   46.931   1.1560 -1.744282 2.045034 
1 1 1  -14   30   26 o   32.726   1.2049  1091.68   70.776  975.876  122.958  1149.07   86.553   31.252   2.0268   34.200   1.3037 -2.947733 2.409899 
1 1 1  -14   30   27 f   8.0284   2.2950   38.840   55.682   21.746   82.966   52.851   75.111   7.7496   3.2560   8.3072   3.2352 -0.5575581 4.589955 
1 1 1  -14   30   28 f   10.949   3.5356  132.025   85.591   0.0000   0.0000  132.025   85.591  ?   ?    10.949   3.5356      ?      ? 
1 1 1  -14   30   29 o   22.290   2.4611  603.580   85.422  455.220  163.826  658.977  100.108   19.156   4.4848   25.424   2.0284 -6.268177 4.922224 
1 1 1  -14   31    1 o   23.016   0.8662  515.073   37.793  516.686   48.523  512.584   60.257   23.064   1.0838   22.968   1.3515 0.9635544E-01 1.732401 
1 1 1  -14   31    2 o  101.930   0.8471 10092.31  167.600 10212.63  238.123  9974.19  235.938  102.532   1.1964  101.328   1.1995 1.204247 1.694165 
1 1 1  -14   31    3 f   61.505   0.8369  3670.36   89.951  3664.67  106.145  3684.85  169.431   61.432   0.8901   61.578   1.4174 -0.1458130 1.673739 
1 1 1  -14   31    4 o   55.949   0.6828  3002.91   71.781  3184.68  118.878  2898.61   90.050   57.261   1.0695   54.636   0.8491 2.625088 1.365543 
1 1 1  -14   31    5 o   80.731   0.9826  6373.24  141.027  6433.71  168.887  6233.93  256.323   81.388   1.0690   80.075   1.6490 1.312950 1.965203 
1 1 1  -14   31    6 f   81.084   0.9566  6417.52  139.318  6465.49  168.100  6312.29  248.973   81.588   1.0614   80.580   1.5917 1.008179 1.913117 
1 1 1  -14   31    7 o   78.552   0.9700  5949.13  135.803  5878.81  162.081  6114.80  248.783   77.798   1.0733   79.306   1.6160 -1.508858 1.939947 
1 1 1  -14   31    8 o   8.8036   2.5545   22.789   69.819   42.389  103.446   6.3900   94.620   9.3838   3.7522   8.2234   3.4672 1.160401 5.108911 
1 1 1  -14   31    9 o  144.331   1.7981 20309.24  503.781 20379.38  711.923 20238.90  712.987  144.582   2.5366  144.079   2.5493 0.5023651 3.596267 
1 1 1  -14   31   10 o   84.892   1.6079  7007.71  264.972  7007.71  264.972   0.0000   0.0000   84.892   1.6079  ?   ?       ?      ? 
1 1 1  -14   31   11 o   31.439   1.7556  961.598  107.141  961.598  107.141   0.0000   0.0000   31.439   1.7556  ?   ?       ?      ? 
1 1 1  -14   31   12 o   87.201   1.6544  7397.05  280.051  7397.05  280.051   0.0000   0.0000   87.201   1.6544  ?   ?       ?      ? 
1 1 1  -14   31   13 o   32.675   1.6221  1038.82  102.888  1038.82  102.888   0.0000   0.0000   32.675   1.6221  ?   ?       ?      ? 
1 1 1  -14   31   14 o   40.628   1.5464  1605.65  121.959  1605.65  121.959   0.0000   0.0000   40.628   1.5464  ?   ?       ?      ? 
1 1 1  -14   31   15 o   30.343   2.0318  897.743  119.675  897.743  119.675   0.0000   0.0000   30.343   2.0318  ?   ?       ?      ? 
1 1 1  -14   31   16 o   54.585   1.4944  2899.15  158.350  2899.15  158.350   0.0000   0.0000   54.585   1.4944  ?   ?       ?      ? 
1 1 1  -14   31   17 o   72.147   1.5191  5066.73  212.753  5066.73  212.753   0.0000   0.0000   72.147   1.5191  ?   ?       ?      ? 
1 1 1  -14   31   18 o   72.690   1.6144  5147.89  227.801  5147.89  227.801   0.0000   0.0000   72.690   1.6144  ?   ?       ?      ? 
1 1 1  -14   31   19 o   26.164   1.0628  667.665   34.364  666.652  101.409  667.797   36.525   26.109   2.0008   26.218   0.7177 -0.1082363 2.125667 
1 1 1  -14   31   20 o   59.862   0.8622  3498.39   81.808  3474.75  177.510  3504.76   92.181   59.676   1.5324   60.049   0.7908 -0.3731384 1.724377 
1 1 1  -14   31   21 o   31.249   1.1015  932.156   36.918  981.020  129.254  927.815   38.523   31.598   2.1073   30.900   0.6422 0.6971245 2.202989 
1 1 1  -14   31   22 o   35.762   0.9955  1271.77   43.859  1220.57  128.492  1278.52   46.661   35.257   1.8774   36.268   0.6628 -1.010693 1.990995 
1 1 1  -14   31   23 o   20.582   1.4991  430.849   49.681  397.439  103.080  440.957   56.700   19.935   2.6637   21.229   1.3759 -1.293808 2.998117 
1 1 1  -14   31   24 o   27.119   1.1258  764.596   54.361  610.663   92.529  845.730   67.176   24.832   1.9196   29.407   1.1768 -4.574699 2.251584 
1 1 1  -14   31   25 o   40.258   0.9171  1613.33   69.613  1480.77  109.930  1702.07   89.945   38.801   1.4595   41.715   1.1107 -2.914516 1.834110 
1 1 1  -14   31   26 o   12.000   2.3490  144.877   53.211  194.424   96.868  123.467   63.678   13.258   3.6489   10.743   2.9592 2.514922 4.698009 
1 1 1  -14   31   27 o   31.692   1.1248  1015.78   66.742  919.281  106.667  1077.86   85.561   30.326   1.8120   33.058   1.3333 -2.732315 2.249653 
1 1 1  -14   31   28 o   19.346   2.3277  384.894   87.413   0.0000   0.0000  384.894   87.413  ?   ?    19.346   2.3277      ?      ? 
1 1 1  -14   32    1 o   67.133   0.6622  4373.16   86.256  4554.94  123.866  4202.02  120.186   68.486   0.9317   65.779   0.9412 2.707085 1.324400 
1 1 1  -14   32    2 o   53.793   0.6731  2792.67   67.628  2747.08   84.456  2874.13  112.901   53.189   0.8180   54.397   1.0692 -1.207890 1.346205 
1 1 1  -14   32    3 o   94.764   0.8462  8724.66  155.611  8699.77  222.938  8748.32  217.304   94.631   1.2136   94.897   1.1796 -0.2661438 1.692471 
1 1 1  -14   32    4 o   12.903   2.1068  145.905   35.540  140.500   37.605  191.128  108.767   12.021   1.6115   13.785   3.8934 -1.763380 4.213671 
1 1 1  -14   32    5 o   53.704   0.8838  2801.74   87.117  2800.96  107.008  2803.29  150.020   53.702   1.0265   53.706   1.4390 -0.4653931E-02 1.767606 
1 1 1  -14   32    6 o  103.088   1.1603 10379.22  216.532 10462.48  263.050 10204.24  381.344  103.766   1.3059  102.411   1.9183 1.355270 2.320592 
1 1 1  -14   32    7 o   9.3718   2.5725   50.164   68.026   81.240   96.453   19.407   95.956   10.177   3.7311   8.5666   3.5425 1.610386 5.145003 
1 1 1  -14   32    8 o   10.648   2.7931   85.650   77.237  104.313  104.948   63.599  114.081   11.056   3.9125   10.240   3.9874 0.8157969 5.586297 
1 1 1  -14   32    9 o   27.542   1.4405  740.741   76.772  697.026  110.804  781.103  106.469   26.754   2.1336   28.330   1.9360 -1.575920 2.881021 
1 1 1  -14   32   10 o   86.440   1.6456  7267.14  276.122  7267.14  276.122   0.0000   0.0000   86.440   1.6456  ?   ?       ?      ? 
1 1 1  -14   32   11 o   73.843   1.4698  5301.81  210.686  5301.81  210.686   0.0000   0.0000   73.843   1.4698  ?   ?       ?      ? 
1 1 1  -14   32   12 o   33.289   1.6348  1078.20  105.640  1078.20  105.640   0.0000   0.0000   33.289   1.6348  ?   ?       ?      ? 
1 1 1  -14   32   13 o   70.484   1.5057  4831.92  206.018  4831.92  206.018   0.0000   0.0000   70.484   1.5057  ?   ?       ?      ? 
1 1 1  -14   32   14 o   78.561   1.6227  6006.85  247.467  6006.85  247.467   0.0000   0.0000   78.561   1.6227  ?   ?       ?      ? 
1 1 1  -14   32   15 o   14.353   4.0707  208.972  118.645  208.972  118.645   0.0000   0.0000   14.353   4.0707  ?   ?       ?      ? 
1 1 1  -14   32   16 o   30.429   1.8351  902.297  108.394  902.297  108.394   0.0000   0.0000   30.429   1.8351  ?   ?       ?      ? 
1 1 1  -14   32   17 o   44.795   1.6432  1954.62  142.886  1954.62  142.886   0.0000   0.0000   44.795   1.6432  ?   ?       ?      ? 
1 1 1  -14   32   18 o   99.799   1.8829  9723.77  364.767  9723.77  364.767   0.0000   0.0000   99.799   1.8829  ?   ?       ?      ? 
1 1 1  -14   32   19 o   50.892   1.5973  2527.16  157.795  2527.16  157.795   0.0000   0.0000   50.892   1.5973  ?   ?       ?      ? 
1 1 1  -14   32   20 o   55.206   0.8061  2923.96   69.593  3041.60  155.553  2894.53   77.815   55.838   1.4351   54.574   0.7345 1.264915 1.612153 
1 1 1  -14   32   21 o   50.907   0.8749  2588.48   65.148  2433.59  154.744  2621.84   71.823   49.880   1.5982   51.934   0.7124 -2.053604 1.749764 
1 1 1  -14   32   22 o   13.124   2.1954  205.702   30.246  114.697  125.645  211.299   31.163   11.524   4.2532   14.723   1.0903 -3.199313 4.390769 
1 1 1  -14   32   23 o   43.113   1.0061  1847.98   72.839  1768.45  144.012  1875.32   84.435   42.374   1.7508   43.853   0.9919 -1.478413 2.012232 
1 1 1  -14   32   24 f   13.639   2.1658  253.481   51.439   62.157  117.806  298.550   57.177   9.8893   3.9866   17.388   1.6940 -7.498712 4.331526 
1 1 1  -14   32   25 f   11.005   2.2578  143.787   55.555   8.8391  113.768  186.043   63.662   8.6484   3.7283   13.361   2.5475 -4.712537 4.515564 
1 1 1  -14   32   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   32   27 o   8.4009   2.4626   15.653   60.971   99.324  114.761 -17.2521   71.968   10.394   4.0125   6.4080   2.8562 3.985856 4.925261 
1 1 1  -14   32   28 f   10.217   2.5248  105.596   62.733  156.329   95.064   66.460   83.494   11.662   3.7220   8.7729   3.4125 2.889174 5.049580 
1 1 1  -14   33    1 o   12.420   1.4795  154.050   34.511  169.757   47.435  136.388   50.302   13.210   1.8498   11.631   2.3095 1.579143 2.958976 
1 1 1  -14   33    2 o   44.936   0.5887  1960.43   51.344  1992.23   73.131  1929.52   72.104   45.295   0.8317   44.576   0.8333 0.7186470 1.177333 
1 1 1  -14   33    3 o   12.018   2.1638  116.393   42.708  210.609   97.655   94.112   47.490   14.387   3.5244   9.6493   2.5112 4.738214 4.327519 
1 1 1  -14   33    4 o   52.006   0.8641  2650.81   73.154  2670.42   83.399  2585.39  152.338   52.441   0.8193   51.571   1.5217 0.8702660 1.728247 
1 1 1  -14   33    5 o   96.415   1.1018  9074.19  191.855  9138.70  232.543  8936.68  339.514   96.984   1.2352   95.847   1.8248 1.136993 2.203554 
1 1 1  -14   33    6 o   35.874   0.9474  1254.19   51.114  1256.25   56.607  1245.08  118.942   35.968   0.8107   35.780   1.7125 0.1885986 1.894736 
1 1 1  -14   33    7 o   46.876   1.0601  2121.67   96.107  1969.41  129.275  2309.79  143.698   45.010   1.4796   48.743   1.5187 -3.732620 2.120289 
1 1 1  -14   33    8 o   28.021   1.5409  765.307   82.591  601.583  113.818  947.398  120.032   24.845   2.3600   31.197   1.9821 -6.352499 3.081890 
1 1 1  -14   33    9 o   48.812   1.0593  2316.79  100.361  2339.67  141.236  2293.45  142.638   49.056   1.4832   48.567   1.5130 0.4885483 2.118685 
1 1 1  -14   33   10 f   41.636   1.5303  1685.80  123.685  1685.80  123.685   0.0000   0.0000   41.636   1.5303  ?   ?       ?      ? 
1 1 1  -14   33   11 o   65.750   1.4514  4204.01  185.248  4204.01  185.248   0.0000   0.0000   65.750   1.4514  ?   ?       ?      ? 
1 1 1  -14   33   12 o   99.850   1.8560  9707.57  359.736  9707.57  359.736   0.0000   0.0000   99.850   1.8560  ?   ?       ?      ? 
1 1 1  -14   33   13 o   54.669   1.5268  2907.56  162.026  2907.56  162.026   0.0000   0.0000   54.669   1.5268  ?   ?       ?      ? 
1 1 1  -14   33   14 f   94.265   1.8227  8656.99  333.531  8656.99  333.531   0.0000   0.0000   94.265   1.8227  ?   ?       ?      ? 
1 1 1  -14   33   15 o   64.318   1.5029  4025.45  187.641  4025.45  187.641   0.0000   0.0000   64.318   1.5029  ?   ?       ?      ? 
1 1 1  -14   33   16 o   38.620   1.5778  1452.27  118.290  1452.27  118.290   0.0000   0.0000   38.620   1.5778  ?   ?       ?      ? 
1 1 1  -14   33   17 o   37.683   1.8427  1385.20  134.792  1385.20  134.792   0.0000   0.0000   37.683   1.8427  ?   ?       ?      ? 
1 1 1  -14   33   18 o   35.682   1.6593  1242.21  114.934  1242.21  114.934   0.0000   0.0000   35.682   1.6593  ?   ?       ?      ? 
1 1 1  -14   33   19 o   18.970   3.4116  368.450  121.008  368.450  121.008   0.0000   0.0000   18.970   3.4116  ?   ?       ?      ? 
1 1 1  -14   33   20 o   38.636   1.8009  1461.65  135.062  1461.65  135.062   0.0000   0.0000   38.636   1.8009  ?   ?       ?      ? 
1 1 1  -14   33   21 o   27.141   1.0570  744.945   30.544  690.606  104.383  750.034   31.943   26.498   2.0293   27.783   0.5923 -1.284458 2.113971 
1 1 1  -14   33   22 o   25.769   1.1918  653.482   32.668  649.899  113.597  653.805   34.109   25.608   2.2852   25.930   0.6776 -0.3223057 2.383581 
1 1 1  -14   33   23 o   36.198   1.0476  1300.42   60.869  1261.03  128.776  1311.76   69.073   35.723   1.8570   36.672   0.9703 -0.9489861 2.095228 
1 1 1  -14   33   24 f   36.925   1.0959  1353.37   65.804  1323.93  136.923  1362.21   75.038   36.511   1.9319   37.339   1.0353 -0.8279419 2.191836 
1 1 1  -14   33   25 o   11.685   2.2938   68.386   54.296  316.986  117.780   1.2962   61.185   16.990   3.6778   6.3803   2.7422 10.60999 4.587581 
1 1 1  -14   33   26 o   26.329   1.3084  678.654   61.870  730.883  112.677  656.109   74.029   26.903   2.1576   25.756   1.4807 1.147161 2.616795 
1 1 1  -14   33   27 o   15.590   2.1341  255.065   60.555  285.268  103.410  239.303   74.702   15.969   3.4377   15.212   2.5298 0.7567759 4.268209 
1 1 1  -14   33   28 o   20.481   2.0966  429.024   83.355   0.0000   0.0000  429.024   83.355  ?   ?    20.481   2.0966      ?      ? 
1 1 1  -14   34    1 o   75.291   0.7048  5506.15  102.994  5490.84  146.810  5520.98  144.527   75.187   1.0059   75.395   0.9875 -0.2070847 1.409601 
1 1 1  -14   34    2 o   45.024   0.8932  2035.17   66.186  2097.25   76.284  1846.15  133.113   46.473   0.8456   43.575   1.5737 2.898014 1.786496 
1 1 1  -14   34    3 o   45.651   0.8632  2024.12   62.630  2023.55   70.596  2026.23  135.725   45.650   0.7967   45.653   1.5315 -0.2624512E-02 1.726351 
1 1 1  -14   34    4 o   69.719   0.9592  4720.91  129.809  4720.91  129.809   0.0000   0.0000   69.719   0.9592  ?   ?       ?      ? 
1 1 1  -14   34    5 o   26.576   1.2739  723.428   42.770  735.708   45.812  640.080  119.353   27.525   0.8574   25.627   2.3992 1.897575 2.547839 
1 1 1  -14   34    6 o   51.402   0.8255  2481.29   68.720  2415.01   77.544  2723.82  148.336   49.870   0.8010   52.934   1.4436 -3.064381 1.650930 
1 1 1  -14   34    7 o   79.440   1.6451  6137.71  253.684   0.0000   0.0000  6137.71  253.684  ?   ?    79.440   1.6451      ?      ? 
1 1 1  -14   34    8 o  106.956   1.3906 11135.76  288.685 11232.09  411.359 11042.27  405.235  107.411   1.9729  106.502   1.9601 0.9093399 2.781101 
1 1 1  -14   34    9 o   56.038   1.0822  3059.35  117.503  3216.86  164.458  2895.09  167.946   57.518   1.4729   54.557   1.5858 2.960346 2.164334 
1 1 1  -14   34   10 o   83.163   1.6470  6729.41  265.880  6729.41  265.880   0.0000   0.0000   83.163   1.6470  ?   ?       ?      ? 
1 1 1  -14   34   11 o   66.565   1.5096  4309.69  195.057  4309.69  195.057   0.0000   0.0000   66.565   1.5096  ?   ?       ?      ? 
1 1 1  -14   34   12 o   19.236   3.1788  362.652  118.695  362.652  118.695   0.0000   0.0000   19.236   3.1788  ?   ?       ?      ? 
1 1 1  -14   34   13 o   77.916   1.6277  5909.88  246.188  5909.88  246.188   0.0000   0.0000   77.916   1.6277  ?   ?       ?      ? 
1 1 1  -14   34   14 o   48.047   1.5810  2246.87  147.457  2246.87  147.457   0.0000   0.0000   48.047   1.5810  ?   ?       ?      ? 
1 1 1  -14   34   15 o   18.183   2.4666  323.295   87.060  323.295   87.060   0.0000   0.0000   18.183   2.4666  ?   ?       ?      ? 
1 1 1  -14   34   16 o   27.405   2.3600  734.530  125.546  734.530  125.546   0.0000   0.0000   27.405   2.3600  ?   ?       ?      ? 
1 1 1  -14   34   17 f   34.599   1.8325  1168.54  123.074  1168.54  123.074   0.0000   0.0000   34.599   1.8325  ?   ?       ?      ? 
1 1 1  -14   34   18 o   33.238   2.0180  1081.45  130.203  1081.45  130.203   0.0000   0.0000   33.238   2.0180  ?   ?       ?      ? 
1 1 1  -14   34   19 o   13.706   3.7824  194.676  103.922  194.676  103.922   0.0000   0.0000   13.706   3.7824  ?   ?       ?      ? 
1 1 1  -14   34   20 o   31.707   2.1364  989.181  131.494  989.181  131.494   0.0000   0.0000   31.707   2.1364  ?   ?       ?      ? 
1 1 1  -14   34   21 o   34.909   1.0545  1229.54   37.485  1148.16  134.718  1236.37   39.026   34.147   2.0324   35.671   0.5636 -1.523918 2.109095 
1 1 1  -14   34   22 o   38.343   0.8493  1443.48   43.454  1426.68  116.873  1446.17   46.810   38.120   1.5794   38.566   0.6253 -0.4453278 1.698678 
1 1 1  -14   34   23 o   18.800   1.3389  360.769   31.421  336.065   89.532  364.239   33.555   18.273   2.5241   19.327   0.8944 -1.054113 2.677823 
1 1 1  -14   34   24 o   36.093   1.0191  1295.66   63.342  1248.97  120.652  1313.42   74.424   35.527   1.7495   36.659   1.0458 -1.131226 2.038250 
1 1 1  -14   34   25 o   15.180   1.9328  259.177   49.952  193.970   88.296  289.870   60.578   13.300   3.4053   17.060   1.8293 -3.759554 3.865523 
1 1 1  -14   34   26 o   22.640   1.4329  539.330   57.540  452.755   99.782  582.462   70.430   21.030   2.4443   24.250   1.4962 -3.219772 2.865844 
1 1 1  -14   34   27 o   10.698   2.2993   78.799   57.650  250.414  101.788  -2.2509   69.952   14.796   3.5822   6.6003   2.8836 8.195738 4.598643 
1 1 1  -14   35    1 o   45.060   0.6764  1955.61   58.024  1891.57   74.509  2054.29   92.493   44.134   0.8697   45.987   1.0361 -1.853600 1.352745 
1 1 1  -14   35    2 o   16.626   1.5064  262.909   42.876  256.150   49.693  282.598   84.814   16.230   1.5773   17.021   2.5669 -0.7911224 3.012774 
1 1 1  -14   35    3 o   35.500   1.0156  1182.38   51.087  1163.39   55.473  1288.40  131.088   34.613   0.8256   36.387   1.8559 -1.774273 2.031259 
1 1 1  -14   35    4 o   62.517   0.8906  3834.89   95.058  3876.45  110.972  3720.34  184.225   63.178   0.9049   61.857   1.5343 1.321220 1.781214 
1 1 1  -14   35    5 o   87.900   1.1419  7506.60  194.846  7506.60  194.846   0.0000   0.0000   87.900   1.1419  ?   ?       ?      ? 
1 1 1  -14   35    6 o   32.551   1.3163  1036.10   79.886  1049.22  100.263  1013.29  132.198   32.847   1.5725   32.254   2.1114 0.5925789 2.632617 
1 1 1  -14   35    7 o   31.077   1.2341  944.679   73.617  903.946  111.472  976.185   98.037   30.474   1.8844   31.681   1.5941 -1.207300 2.468266 
1 1 1  -14   35    8 o   33.910   1.4080  1119.79   92.653  1079.68  130.202  1160.93  131.877   33.294   2.0146   34.526   1.9677 -1.232800 2.816097 
1 1 1  -14   35    9 o   41.513   1.1741  1675.93   94.508  1788.07  135.376  1569.31  131.997   42.869   1.6268   40.157   1.6933 2.711929 2.348162 
1 1 1  -14   35   10 o   48.132   1.5592  2253.61  145.684  2253.61  145.684   0.0000   0.0000   48.132   1.5592  ?   ?       ?      ? 
1 1 1  -14   35   11 o  138.207   2.4625 18648.23  660.659 18648.23  660.659   0.0000   0.0000  138.207   2.4625  ?   ?       ?      ? 
1 1 1  -14   35   12 o   88.157   1.7444  7568.76  298.509  7568.76  298.509   0.0000   0.0000   88.157   1.7444  ?   ?       ?      ? 
1 1 1  -14   35   13 o   43.249   1.6599  1821.04  139.358  1821.04  139.358   0.0000   0.0000   43.249   1.6599  ?   ?       ?      ? 
1 1 1  -14   35   14 o   55.083   1.4343  2952.19  153.368  2952.19  153.368   0.0000   0.0000   55.083   1.4343  ?   ?       ?      ? 
1 1 1  -14   35   15 o   37.687   1.7404  1384.07  127.324  1384.07  127.324   0.0000   0.0000   37.687   1.7404  ?   ?       ?      ? 
1 1 1  -14   35   16 o   22.750   2.7444  508.289  121.198  508.289  121.198   0.0000   0.0000   22.750   2.7444  ?   ?       ?      ? 
1 1 1  -14   35   17 o   44.583   1.5106  1937.87  130.732  1937.87  130.732   0.0000   0.0000   44.583   1.5106  ?   ?       ?      ? 
1 1 1  -14   35   18 o   21.717   3.1296  467.963  131.934  467.963  131.934   0.0000   0.0000   21.717   3.1296  ?   ?       ?      ? 
1 1 1  -14   35   19 o   25.381   2.3511  634.767  115.840  634.767  115.840   0.0000   0.0000   25.381   2.3511  ?   ?       ?      ? 
1 1 1  -14   35   20 o   14.025   3.8008  206.516  106.055  206.516  106.055   0.0000   0.0000   14.025   3.8008  ?   ?       ?      ? 
1 1 1  -14   35   21 o   23.891   2.7322  570.304  126.709  570.304  126.709   0.0000   0.0000   23.891   2.7322  ?   ?       ?      ? 
1 1 1  -14   35   22 o   23.626   1.3846  541.940   28.312  564.137  123.866  540.716   29.082   23.674   2.6954   23.579   0.6354 0.9493828E-01 2.769268 
1 1 1  -14   35   23 o   44.348   0.9188  1955.83   55.313  1890.95  144.767  1966.93   59.855   43.745   1.7048   44.951   0.6859 -1.205864 1.837624 
1 1 1  -14   35   24 o   32.561   1.1582  1089.73   59.687  974.822  125.752  1123.15   67.812   31.229   2.0744   33.893   1.0307 -2.663553 2.316335 
1 1 1  -14   35   25 o   52.233   0.9732  2673.48   92.868  2739.27  162.105  2641.33  113.304   52.573   1.5884   51.893   1.1248 0.6799698 1.946367 
1 1 1  -14   35   26 o   9.6971   2.5374   90.774   58.403   63.869  121.757   98.814   66.559   9.7339   4.0043   9.6602   3.1177 0.7374191E-01 5.074867 
1 1 1  -14   35   27 o   7.6130   3.0391   41.264   67.742   0.0000   0.0000   41.264   67.742  ?   ?    7.6130   3.0391      ?      ? 
1 1 1  -14   36    1 o   86.484   1.0270  7370.46  161.091  7558.19  196.949  6991.00  280.004   88.198   1.1504   84.769   1.7016 3.428146 2.053971 
1 1 1  -14   36    2 o   48.376   0.9115  2292.00   71.454  2306.55   81.289  2242.54  149.858   48.734   0.8593   48.017   1.6077 0.7167892 1.822958 
1 1 1  -14   36    3 o   32.380   1.0501  1033.48   49.497  1040.81   54.408  998.293  119.216   32.737   0.8562   32.023   1.9178 0.7136841 2.100228 
1 1 1  -14   36    4 o   94.464   1.0922  8561.29  183.020  8396.08  217.289  8964.70  339.536   92.953   1.2042   95.976   1.8225 -3.022751 2.184387 
1 1 1  -14   36    5 o   80.583   1.0052  6433.75  143.298  6616.54  171.866  6016.88  259.548   82.526   1.0728   78.640   1.7002 3.885834 2.010428 
1 1 1  -14   36    6 o   63.375   0.8933  3901.02  109.894  3901.02  109.894   0.0000   0.0000   63.375   0.8933  ?   ?       ?      ? 
1 1 1  -14   36    7 o   12.930   2.8616  164.440   79.394  178.326  102.317  143.428  125.866   13.300   3.7830   12.559   4.2945 0.7413244 5.723103 
1 1 1  -14   36    8 o   38.916   1.2416  1468.46   93.610  1375.25  127.783  1576.42  137.524   37.588   1.7513   40.243   1.7604 -2.654758 2.483174 
1 1 1  -14   36    9 o   29.364   1.3808  826.819   76.915  899.385  124.751  782.319   97.692   30.378   2.1155   28.349   1.7752 2.028717 2.761659 
1 1 1  -14   36   10 o   73.955   1.5976  5321.80  229.350  5321.80  229.350   0.0000   0.0000   73.955   1.5976  ?   ?       ?      ? 
1 1 1  -14   36   11 o   23.818   2.7053  555.101  125.076  555.101  125.076   0.0000   0.0000   23.818   2.7053  ?   ?       ?      ? 
1 1 1  -14   36   12 o   13.311   4.0777  175.663  115.295  175.663  115.295   0.0000   0.0000   13.311   4.0777  ?   ?       ?      ? 
1 1 1  -14   36   13 o   38.713   1.6387  1459.21  123.144  1459.21  123.144   0.0000   0.0000   38.713   1.6387  ?   ?       ?      ? 
1 1 1  -14   36   14 o   56.139   1.4367  3067.01  156.569  3067.01  156.569   0.0000   0.0000   56.139   1.4367  ?   ?       ?      ? 
1 1 1  -14   36   15 o   77.885   1.6570  5911.54  250.514  5911.54  250.514   0.0000   0.0000   77.885   1.6570  ?   ?       ?      ? 
1 1 1  -14   36   16 o   47.709   1.5397  2218.75  142.596  2218.75  142.596   0.0000   0.0000   47.709   1.5397  ?   ?       ?      ? 
1 1 1  -14   36   17 o   12.890   4.1215  164.720  116.525  164.720  116.525   0.0000   0.0000   12.890   4.1215  ?   ?       ?      ? 
1 1 1  -14   36   18 o   14.802   3.6749  228.288  105.108  228.288  105.108   0.0000   0.0000   14.802   3.6749  ?   ?       ?      ? 
1 1 1  -14   36   19 o   8.0062   3.6509 -71.5207  125.592 -71.5207  125.592   0.0000   0.0000   8.0062   3.6509  ?   ?       ?      ? 
1 1 1  -14   36   20 f   39.676   1.6697  1542.89  128.596  1542.89  128.596   0.0000   0.0000   39.676   1.6697  ?   ?       ?      ? 
1 1 1  -14   36   21 o   28.622   1.9513  808.956  108.414  808.956  108.414   0.0000   0.0000   28.622   1.9513  ?   ?       ?      ? 
1 1 1  -14   36   22 o   19.870   1.4836  369.051   22.516  419.648  114.517  367.016   22.964   20.314   2.9041   19.425   0.6090 0.8887920 2.967217 
1 1 1  -14   36   23 o   26.061   1.2398  629.642   32.148  723.302  124.197  622.916   33.283   26.824   2.3852   25.297   0.6778 1.526697 2.479616 
1 1 1  -14   36   24 o   14.143   2.2931  208.147   47.823  217.490  122.511  206.468   51.944   13.887   4.1927   14.398   1.8585 -0.5109425 4.586145 
1 1 1  -14   36   25 o   20.308   1.6984  399.188   52.626  457.563  123.103  386.134   58.213   20.873   3.0383   19.744   1.5188 1.128284 3.396763 
1 1 1  -14   36   26 f   16.636   2.1062  267.566   58.171  365.006  120.248  237.795   66.466   18.015   3.5647   15.257   2.2443 2.758628 4.212389 
1 1 1  -14   36   27 o   9.1352   3.2244   86.221   71.233   0.0000   0.0000   86.221   71.233  ?   ?    9.1352   3.2244      ?      ? 
1 1 1  -14   37    1 f   66.466   1.0750  4297.44  138.683  4352.72  195.572  4241.54  196.686   66.897   1.5060   66.035   1.5344 0.8624649 2.149988 
1 1 1  -14   37    2 o   9.3745   2.1651 -11.3550   45.615 -61.4751   50.608  205.706  105.319   4.5347   2.1491   14.214   3.7592 -9.679733 4.330166 
1 1 1  -14   37    3 o   97.652   1.1208  9233.03  195.402  9166.38  233.783  9387.52  355.928   97.113   1.2401   98.190   1.8674 -1.077293 2.241652 
1 1 1  -14   37    4 o   59.173   0.9174  3496.29   91.308  3595.11  106.262  3217.44  178.507   60.838   0.8998   57.508   1.5991 3.330441 1.834822 
1 1 1  -14   37    5 o   52.992   0.8482  2707.06   74.701  2686.62   85.628  2772.17  152.822   52.595   0.8387   53.389   1.4746 -0.7942238 1.696413 
1 1 1  -14   37    6 o   34.199   1.1392  1173.54   46.625  1183.52   49.434  1093.19  140.316   34.911   0.7295   33.488   2.1585 1.423347 2.278464 
1 1 1  -14   37    7 o   31.396   1.7933  959.550  109.291  959.550  109.291   0.0000   0.0000   31.396   1.7933  ?   ?       ?      ? 
1 1 1  -14   37    8 o   14.383   2.4829  202.658   78.071  341.478  110.154   62.542  110.667   18.676   3.0384   10.090   3.9277 8.586269 4.965734 
1 1 1  -14   37    9 o   34.455   1.3830  1151.33   92.152  1019.81  126.046  1302.34  135.067   32.347   2.0073   36.562   1.9031 -4.214828 2.766058 
1 1 1  -14   37   10 o   35.662   1.9221  1239.50  133.058  1239.50  133.058   0.0000   0.0000   35.662   1.9221  ?   ?       ?      ? 
1 1 1  -14   37   11 o   69.466   1.5540  4696.13  209.546  4696.13  209.546   0.0000   0.0000   69.466   1.5540  ?   ?       ?      ? 
1 1 1  -14   37   12 o   9.1901   3.7594   30.546  106.571   30.546  106.571   0.0000   0.0000   9.1901   3.7594  ?   ?       ?      ? 
1 1 1  -14   37   13 o   30.228   1.8719  890.844  109.841  890.844  109.841   0.0000   0.0000   30.228   1.8719  ?   ?       ?      ? 
1 1 1  -14   37   14 o   28.543   2.2316  796.349  123.645  796.349  123.645   0.0000   0.0000   28.543   2.2316  ?   ?       ?      ? 
1 1 1  -14   37   15 f   28.260   2.2947  782.198  125.885  782.198  125.885   0.0000   0.0000   28.260   2.2947  ?   ?       ?      ? 
1 1 1  -14   37   16 o   55.616   1.4601  3015.42  157.632  3015.42  157.632   0.0000   0.0000   55.616   1.4601  ?   ?       ?      ? 
1 1 1  -14   37   17 o   14.142   4.1842  205.869  122.930  205.869  122.930   0.0000   0.0000   14.142   4.1842  ?   ?       ?      ? 
1 1 1  -14   37   18 o   24.963   2.2109  613.168  107.131  613.168  107.131   0.0000   0.0000   24.963   2.2109  ?   ?       ?      ? 
1 1 1  -14   37   19 f   32.123   2.0741  1015.64  129.336  1015.64  129.336   0.0000   0.0000   32.123   2.0741  ?   ?       ?      ? 
1 1 1  -14   37   20 o   47.426   1.6675  2207.26  153.515  2207.26  153.515   0.0000   0.0000   47.426   1.6675  ?   ?       ?      ? 
1 1 1  -14   37   21 o   16.325   3.6072  285.111  111.269  285.111  111.269   0.0000   0.0000   16.325   3.6072  ?   ?       ?      ? 
1 1 1  -14   37   22 o   10.292   3.7292   98.764   95.944   98.764   95.944   0.0000   0.0000   10.292   3.7292  ?   ?       ?      ? 
1 1 1  -14   37   23 o   27.104   0.9809  808.655   30.968  617.565   90.702  833.870   32.948   24.930   1.8743   29.278   0.5797 -4.347904 1.961880 
1 1 1  -14   37   24 o   28.700   1.1130  794.455   51.057  853.885  111.280  778.608   57.462   29.204   1.9629   28.196   1.0498 1.007925 2.226035 
1 1 1  -14   37   25 o   19.412   1.4124  389.610   46.479  357.380   89.051  401.677   54.490   18.665   2.4578   20.160   1.3924 -1.495050 2.824806 
1 1 1  -14   37   26 o   6.7387   2.8147   18.279   61.452   0.0000   0.0000   18.279   61.452  ?   ?    6.7387   2.8147      ?      ? 
1 1 1  -14   38    1 o  154.207   1.6614 23076.23  464.824 22858.38  563.443 23540.38  822.440  153.210   1.8945  155.204   2.7298 -1.993713 3.322822 
1 1 1  -14   38    2 o   98.299   1.1349  9422.29  200.162  9457.33  241.085  9344.54  359.113   98.639   1.2591   97.960   1.8885 0.6794891 2.269749 
1 1 1  -14   38    3 o   30.301   1.1299  907.056   50.833  914.885   56.196  871.809  119.234   30.689   0.9433   29.912   2.0535 0.7770958 2.259764 
1 1 1  -14   38    4 o   28.113   1.2644  816.380   48.097  836.517   52.260  704.897  122.966   29.346   0.9174   26.880   2.3566 2.465694 2.528852 
1 1 1  -14   38    5 o   63.375   0.9163  3883.12   96.794  3863.10  111.170  3945.87  196.794   63.064   0.9081   63.686   1.5918 -0.6218452 1.832658 
1 1 1  -14   38    6 o   65.150   0.8401  4131.82   82.835  4135.83   91.891  4114.44  191.354   65.261   0.7254   65.038   1.5157 0.2233734 1.680300 
1 1 1  -14   38    7 o   69.243   1.0752  4667.01  144.249  4709.46  198.465  4619.47  210.022   69.582   1.4693   68.904   1.5702 0.6785431 2.150465 
1 1 1  -14   38    8 o   88.321   1.2515  7585.69  213.620  7479.02  287.891  7716.38  318.654   87.644   1.6922   88.998   1.8445 -1.353668 2.503100 
1 1 1  -14   38    9 o   51.789   1.5031  2609.92  151.113  2609.92  151.113   0.0000   0.0000   51.789   1.5031  ?   ?       ?      ? 
1 1 1  -14   38   10 o   85.578   1.7049  7131.24  283.218  7131.24  283.218   0.0000   0.0000   85.578   1.7049  ?   ?       ?      ? 
1 1 1  -14   38   11 o   14.566   3.8756  216.918  111.503  216.918  111.503   0.0000   0.0000   14.566   3.8756  ?   ?       ?      ? 
1 1 1  -14   38   12 f   25.342   2.1985  627.164  108.152  627.164  108.152   0.0000   0.0000   25.342   2.1985  ?   ?       ?      ? 
1 1 1  -14   38   13 o   9.6172   3.8894   41.118  112.526   41.118  112.526   0.0000   0.0000   9.6172   3.8894  ?   ?       ?      ? 
1 1 1  -14   38   14 o   22.422   2.8825  494.678  125.460  494.678  125.460   0.0000   0.0000   22.422   2.8825  ?   ?       ?      ? 
1 1 1  -14   38   15 o   63.152   1.4727  3887.61  180.534  3887.61  180.534   0.0000   0.0000   63.152   1.4727  ?   ?       ?      ? 
1 1 1  -14   38   16 o   58.084   1.5708  3292.79  177.113  3292.79  177.113   0.0000   0.0000   58.084   1.5708  ?   ?       ?      ? 
1 1 1  -14   38   17 o   18.852   3.1382  353.938  114.840  353.938  114.840   0.0000   0.0000   18.852   3.1382  ?   ?       ?      ? 
1 1 1  -14   38   18 o   36.864   2.0040  1335.48  143.406  1335.48  143.406   0.0000   0.0000   36.864   2.0040  ?   ?       ?      ? 
1 1 1  -14   38   19 o   20.433   2.6962  415.801  106.942  415.801  106.942   0.0000   0.0000   20.433   2.6962  ?   ?       ?      ? 
1 1 1  -14   38   20 o   34.674   1.8498  1185.38  124.504  1185.38  124.504   0.0000   0.0000   34.674   1.8498  ?   ?       ?      ? 
1 1 1  -14   38   21 o   18.625   3.5201  369.782  122.602  369.782  122.602   0.0000   0.0000   18.625   3.5201  ?   ?       ?      ? 
1 1 1  -14   38   22 o   11.039   4.1445  109.667  120.313  109.667  120.313   0.0000   0.0000   11.039   4.1445  ?   ?       ?      ? 
1 1 1  -14   38   23 o   9.6469   1.9128  110.768   21.280   2.1164  113.280  114.743   21.665   8.4635   3.6843   10.830   1.0305 -2.366760 3.825666 
1 1 1  -14   38   24 o   21.839   1.2736  339.379   28.752  668.151  119.425  319.149   29.623   25.600   2.4032   18.077   0.8442 7.522896 2.547137 
1 1 1  -14   38   25 o   26.180   1.4628  763.485   53.906  589.288  125.520  802.880   59.691   23.766   2.7208   28.594   1.0754 -4.828438 2.925593 
1 1 1  -14   38   26 o   7.4473   2.8733   45.195   58.820   0.0000   0.0000   45.195   58.820  ?   ?    7.4473   2.8733      ?      ? 
1 1 1  -14   39    1 o   28.358   1.1707  839.485   57.387  926.848   69.395  650.504  102.064   30.881   1.1576   25.834   2.0352 5.046818 2.341435 
1 1 1  -14   39    2 o  121.642   1.3416 14366.89  294.841 14287.14  356.371 14539.90  524.911  121.188   1.5149  122.097   2.2147 -0.9089432 2.683241 
1 1 1  -14   39    3 o   26.242   1.4779  715.177   51.408  732.838   55.645  612.277  134.316   27.463   1.0438   25.021   2.7654 2.442074 2.955815 
1 1 1  -14   39    4 o   28.184   1.2228  728.089   47.072  710.777   50.624  838.623  127.918   27.048   0.9642   29.319   2.2476 -2.270510 2.445665 
1 1 1  -14   39    5 o   38.035   0.9611  1447.47   54.223  1470.83   60.046  1344.22  126.223   38.915   0.7949   37.155   1.7501 1.760456 1.922147 
1 1 1  -14   39    6 o   43.616   0.9126  1812.97   45.920  1804.16   48.293  1896.06  148.313   43.106   0.5771   44.125   1.7315 -1.019104 1.825161 
1 1 1  -14   39    7 o   63.029   1.0851  3882.49  131.387  3989.02  175.081  3745.15  198.788   64.037   1.4085   62.022   1.6511 2.014275 2.170240 
1 1 1  -14   39    8 o   38.177   1.2862  1438.91   93.280  1527.29  122.339  1316.17  144.169   39.612   1.5910   36.741   2.0214 2.871323 2.572430 
1 1 1  -14   39    9 f   45.730   1.5178  2035.00  134.738  2035.00  134.738   0.0000   0.0000   45.730   1.5178  ?   ?       ?      ? 
1 1 1  -14   39   10 o   25.738   2.1485  646.535  107.343  646.535  107.343   0.0000   0.0000   25.738   2.1485  ?   ?       ?      ? 
1 1 1  -14   39   11 o   30.837   1.9939  927.643  119.357  927.643  119.357   0.0000   0.0000   30.837   1.9939  ?   ?       ?      ? 
1 1 1  -14   39   12 o   34.120   1.7925  1134.97  118.721  1134.97  118.721   0.0000   0.0000   34.120   1.7925  ?   ?       ?      ? 
1 1 1  -14   39   13 o   65.384   1.5623  4165.72  198.293  4165.72  198.293   0.0000   0.0000   65.384   1.5623  ?   ?       ?      ? 
1 1 1  -14   39   14 o   44.772   1.6601  1956.00  144.276  1956.00  144.276   0.0000   0.0000   44.772   1.6601  ?   ?       ?      ? 
1 1 1  -14   39   15 o   11.174   3.9181  112.533  105.059  112.533  105.059   0.0000   0.0000   11.174   3.9181  ?   ?       ?      ? 
1 1 1  -14   39   16 o   33.791   2.1136  1120.75  138.644  1120.75  138.644   0.0000   0.0000   33.791   2.1136  ?   ?       ?      ? 
1 1 1  -14   39   17 o   8.0963   3.5310 -14.0658  104.476 -14.0658  104.476   0.0000   0.0000   8.0963   3.5310  ?   ?       ?      ? 
1 1 1  -14   39   18 o   37.981   1.9426  1417.93  143.226  1417.93  143.226   0.0000   0.0000   37.981   1.9426  ?   ?       ?      ? 
1 1 1  -14   39   19 o   22.202   2.9379  495.552  126.615  495.552  126.615   0.0000   0.0000   22.202   2.9379  ?   ?       ?      ? 
1 1 1  -14   39   20 o   15.554   3.3054  256.239   96.723  256.239   96.723   0.0000   0.0000   15.554   3.3054  ?   ?       ?      ? 
1 1 1  -14   39   21 o   14.263   3.7307  222.136  104.474  222.136  104.474   0.0000   0.0000   14.263   3.7307  ?   ?       ?      ? 
1 1 1  -14   39   22 o   15.413   3.8696  262.803  115.603  262.803  115.603   0.0000   0.0000   15.413   3.8696  ?   ?       ?      ? 
1 1 1  -14   39   23 o   19.098   3.4279  396.034  122.412  396.034  122.412   0.0000   0.0000   19.098   3.4279  ?   ?       ?      ? 
1 1 1  -14   39   24 o   9.7620   2.2542   80.052   26.121  103.521  127.463   79.023   26.688   10.738   4.2055   8.7856   1.6247 1.952814 4.508396 
1 1 1  -14   39   25 o   6.6965   2.5759   34.622   47.165   0.0000   0.0000   34.622   47.165  ?   ?    6.6965   2.5759      ?      ? 
1 1 1  -14   40    1 o   41.227   1.0582  1614.32   67.201  1589.66   74.669  1719.48  154.166   40.449   0.9510   42.005   1.8907 -1.555889 2.116371 
1 1 1  -14   40    2 o   93.760   1.1090  8638.85  187.120  8781.74  226.694  8333.33  331.474   95.039   1.2288   92.482   1.8464 2.557419 2.217912 
1 1 1  -14   40    3 o   46.332   0.9351  2134.37   71.040  2176.88   81.516  2000.14  144.853   47.338   0.8871   45.326   1.6463 2.011642 1.870115 
1 1 1  -14   40    4 o   47.427   0.9187  2215.01   69.630  2236.62   78.852  2138.49  148.371   47.985   0.8465   46.869   1.6308 1.115952 1.837421 
1 1 1  -14   40    5 o   10.910   2.2391  128.990   38.956  139.438   40.779   19.851  131.792   11.965   1.7557   9.8549   4.1197 2.110336 4.478200 
1 1 1  -14   40    6 o  110.553   1.1849 12102.20  218.000 12300.61  251.609 11504.79  436.599  112.493   1.1522  108.614   2.0708 3.878540 2.369743 
1 1 1  -14   40    7 o   86.043   1.1923  7212.33  199.022  7350.62  278.488  7067.98  284.528   86.892   1.6510   85.194   1.7205 1.698021 2.384538 
1 1 1  -14   40    8 o   52.561   1.0319  2683.55  104.713  2645.88  140.498  2730.64  157.053   52.153   1.3878   52.969   1.5274 -0.8162079 2.063725 
1 1 1  -14   40    9 o   23.487   2.2049  538.606  100.525  538.606  100.525   0.0000   0.0000   23.487   2.2049  ?   ?       ?      ? 
1 1 1  -14   40   10 o   65.233   1.4404  4141.36  182.401  4141.36  182.401   0.0000   0.0000   65.233   1.4404  ?   ?       ?      ? 
1 1 1  -14   40   11 o   43.982   1.4178  1882.86  121.047  1882.86  121.047   0.0000   0.0000   43.982   1.4178  ?   ?       ?      ? 
1 1 1  -14   40   12 o   62.567   1.6179  3815.73  196.501  3815.73  196.501   0.0000   0.0000   62.567   1.6179  ?   ?       ?      ? 
1 1 1  -14   40   13 o   69.300   1.6166  4684.59  217.464  4684.59  217.464   0.0000   0.0000   69.300   1.6166  ?   ?       ?      ? 
1 1 1  -14   40   14 o   19.035   2.9377  358.200  108.551  358.200  108.551   0.0000   0.0000   19.035   2.9377  ?   ?       ?      ? 
1 1 1  -14   40   15 o   32.225   2.0962  1018.70  131.127  1018.70  131.127   0.0000   0.0000   32.225   2.0962  ?   ?       ?      ? 
1 1 1  -14   40   16 o   13.702   4.1940  193.098  121.995  193.098  121.995   0.0000   0.0000   13.702   4.1940  ?   ?       ?      ? 
1 1 1  -14   40   17 o   40.512   1.8792  1611.14  147.786  1611.14  147.786   0.0000   0.0000   40.512   1.8792  ?   ?       ?      ? 
1 1 1  -14   40   18 o   7.0151   3.2359 -72.9852  102.557 -72.9852  102.557   0.0000   0.0000   7.0151   3.2359  ?   ?       ?      ? 
1 1 1  -14   40   19 o   50.698   1.6611  2527.84  163.480  2527.84  163.480   0.0000   0.0000   50.698   1.6611  ?   ?       ?      ? 
1 1 1  -14   40   20 o   25.672   2.5619  664.076  127.672  664.076  127.672   0.0000   0.0000   25.672   2.5619  ?   ?       ?      ? 
1 1 1  -14   40   21 o   42.264   1.5718  1760.63  128.950  1760.63  128.950   0.0000   0.0000   42.264   1.5718  ?   ?       ?      ? 
1 1 1  -14   40   22 o   8.5046   3.5342   32.351   96.180   32.351   96.180   0.0000   0.0000   8.5046   3.5342  ?   ?       ?      ? 
1 1 1  -14   40   23 o   6.9954   3.2580 -76.0801  107.817 -76.0801  107.817   0.0000   0.0000   6.9954   3.2580  ?   ?       ?      ? 
1 1 1  -14   40   24 o   5.0356   1.7764 -22.0662   21.402 -76.0248  107.547 -19.8412   21.839   6.9345   3.2377   3.1367   1.4627 3.797797 3.552788 
1 1 1  -14   40   25 o   6.7378   2.5697   36.689   46.687   0.0000   0.0000   36.689   46.687  ?   ?    6.7378   2.5697      ?      ? 
1 1 1  -14   41    1 o   49.988   0.9214  2434.98   77.830  2440.21   90.164  2419.69  154.166   50.117   0.9268   49.859   1.5929 0.2583046 1.842875 
1 1 1  -14   41    2 o   44.852   0.9898  1908.18   72.382  1868.72   82.016  2047.15  153.921   43.856   0.9634   45.849   1.7294 -1.992989 1.979663 
1 1 1  -14   41    3 o   87.695   1.0682  7393.24  164.629  7274.37  194.327  7695.44  309.851   86.507   1.1572   88.882   1.7959 -2.374565 2.136416 
1 1 1  -14   41    4 o   50.243   0.9468  2449.57   75.302  2445.58   84.732  2464.54  164.250   50.175   0.8699   50.310   1.6818 -0.1353760 1.893507 
1 1 1  -14   41    5 o   49.178   0.8794  2348.14   69.459  2345.51   78.590  2357.50  148.464   49.140   0.8239   49.216   1.5540 -0.7645416E-01 1.758889 
1 1 1  -14   41    6 o   38.049   0.9653  1512.42   41.365  1538.14   43.630  1283.88  130.077   39.801   0.5647   36.297   1.8461 3.504257 1.930566 
1 1 1  -14   41    7 o   52.293   1.0695  2656.81  107.181  2632.16  140.470  2691.15  165.817   52.015   1.3912   52.572   1.6248 -0.5570030 2.139066 
1 1 1  -14   41    8 o   21.466   1.9642  434.755   79.124  390.582   98.056  517.199  133.960   19.979   2.5283   22.952   3.0067 -2.973036 3.928421 
1 1 1  -14   41    9 o   74.983   1.5103  5473.71  219.827  5473.71  219.827   0.0000   0.0000   74.983   1.5103  ?   ?       ?      ? 
1 1 1  -14   41   10 o   82.828   1.6015  6683.70  257.498  6683.70  257.498   0.0000   0.0000   82.828   1.6015  ?   ?       ?      ? 
1 1 1  -14   41   11 o   41.157   1.6616  1651.67  132.747  1651.67  132.747   0.0000   0.0000   41.157   1.6616  ?   ?       ?      ? 
1 1 1  -14   41   12 o   62.801   1.5471  3845.67  188.603  3845.67  188.603   0.0000   0.0000   62.801   1.5471  ?   ?       ?      ? 
1 1 1  -14   41   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   41   14 o   58.022   1.4680  3284.39  165.343  3284.39  165.343   0.0000   0.0000   58.022   1.4680  ?   ?       ?      ? 
1 1 1  -14   41   15 f   34.516   2.0923  1170.33  140.189  1170.33  140.189   0.0000   0.0000   34.516   2.0923  ?   ?       ?      ? 
1 1 1  -14   41   16 o   23.041   2.5804  526.068  115.415  526.068  115.415   0.0000   0.0000   23.041   2.5804  ?   ?       ?      ? 
1 1 1  -14   41   17 o   29.737   2.4218  876.273  139.798  876.273  139.798   0.0000   0.0000   29.737   2.4218  ?   ?       ?      ? 
1 1 1  -14   41   18 o   36.408   1.9357  1308.03  136.806  1308.03  136.806   0.0000   0.0000   36.408   1.9357  ?   ?       ?      ? 
1 1 1  -14   41   19 o   18.692   2.9368  354.836  106.562  354.836  106.562   0.0000   0.0000   18.692   2.9368  ?   ?       ?      ? 
1 1 1  -14   41   20 o   34.256   1.9988  1167.38  132.915  1167.38  132.915   0.0000   0.0000   34.256   1.9988  ?   ?       ?      ? 
1 1 1  -14   41   21 o   28.719   2.3406  830.556  130.488  830.556  130.488   0.0000   0.0000   28.719   2.3406  ?   ?       ?      ? 
1 1 1  -14   41   22 f   14.859   4.1798  253.007  125.627  253.007  125.627   0.0000   0.0000   14.859   4.1798  ?   ?       ?      ? 
1 1 1  -14   41   23 o   25.904   2.5436  690.320  127.904  690.320  127.904   0.0000   0.0000   25.904   2.5436  ?   ?       ?      ? 
1 1 1  -14   41   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   42    1 o   51.700   0.9674  2648.97   83.118  2696.45   95.905  2505.68  166.611   52.680   0.9379   50.720   1.6922 1.959934 1.934746 
1 1 1  -14   42    2 o   59.993   0.9157  3427.72   94.871  3344.62  110.539  3660.13  184.858   58.668   0.9706   61.318   1.5531 -2.649632 1.831407 
1 1 1  -14   42    3 o   77.218   0.9542  5884.60  134.216  6054.38  164.901  5551.36  231.018   78.924   1.0763   75.513   1.5760 3.411163 1.908489 
1 1 1  -14   42    4 f   48.049   0.8991  2188.47   71.297  2139.45   81.185  2353.72  149.066   46.927   0.8912   49.170   1.5617 -2.243732 1.798150 
1 1 1  -14   42    5 o   20.534   1.6556  420.070   31.797  421.233   32.858  402.929  126.141   20.824   0.8128   20.244   3.2100 0.5800762 3.311274 
1 1 1  -14   42    6 f   46.540   0.9924  2187.85   66.421  2229.31   73.023  1989.15  159.848   47.907   0.7852   45.174   1.8229 2.732697 1.984795 
1 1 1  -14   42    7 o   8.9715   2.6400   18.180   76.690   56.436   94.920 -53.7379  130.144   9.4036   3.6439   8.5395   3.8211 0.8641014 5.280009 
1 1 1  -14   42    8 f   31.042   1.3993  940.770   82.523  942.032  106.359  938.861  130.807   31.086   1.7626   30.998   2.1739 0.8768654E-01 2.798626 
1 1 1  -14   42    9 o   60.039   1.3865  3509.11  161.588  3509.11  161.588   0.0000   0.0000   60.039   1.3865  ?   ?       ?      ? 
1 1 1  -14   42   10 o   51.000   1.5161  2534.63  150.098  2534.63  150.098   0.0000   0.0000   51.000   1.5161  ?   ?       ?      ? 
1 1 1  -14   42   11 o   35.077   1.9192  1202.92  130.682  1202.92  130.682   0.0000   0.0000   35.077   1.9192  ?   ?       ?      ? 
1 1 1  -14   42   12 o   14.314   3.9004  212.083  111.328  212.083  111.328   0.0000   0.0000   14.314   3.9004  ?   ?       ?      ? 
1 1 1  -14   42   13 o   48.729   1.3349  2314.46  126.267  2314.46  126.267   0.0000   0.0000   48.729   1.3349  ?   ?       ?      ? 
1 1 1  -14   42   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   42   15 o   16.099   3.8616  272.995  119.126  272.995  119.126   0.0000   0.0000   16.099   3.8616  ?   ?       ?      ? 
1 1 1  -14   42   16 o   33.299   2.1094  1092.74  136.348  1092.74  136.348   0.0000   0.0000   33.299   2.1094  ?   ?       ?      ? 
1 1 1  -14   42   17 o   27.012   2.2126  722.635  116.018  722.635  116.018   0.0000   0.0000   27.012   2.2126  ?   ?       ?      ? 
1 1 1  -14   42   18 o   25.662   2.7881  664.343  138.888  664.343  138.888   0.0000   0.0000   25.662   2.7881  ?   ?       ?      ? 
1 1 1  -14   42   19 o   13.766   4.0567  207.509  115.754  207.509  115.754   0.0000   0.0000   13.766   4.0567  ?   ?       ?      ? 
1 1 1  -14   42   20 o   22.298   2.6168  503.670  113.266  503.670  113.266   0.0000   0.0000   22.298   2.6168  ?   ?       ?      ? 
1 1 1  -14   42   21 o   17.625   3.6018  340.291  119.069  340.291  119.069   0.0000   0.0000   17.625   3.6018  ?   ?       ?      ? 
1 1 1  -14   42   22 o   16.164   4.1710  302.223  131.751  302.223  131.751   0.0000   0.0000   16.164   4.1710  ?   ?       ?      ? 
1 1 1  -14   42   23 o   13.095   4.4149  199.995  133.007  199.995  133.007   0.0000   0.0000   13.095   4.4149  ?   ?       ?      ? 
1 1 1  -14   42   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   43    1 o   46.276   0.9955  2169.41   77.160  2261.38   89.979  1913.85  149.992   48.239   0.9609   44.314   1.7437 3.924812 1.990902 
1 1 1  -14   43    2 o   47.637   1.0152  2260.09   79.974  2309.30   92.163  2110.09  160.910   48.747   0.9740   46.527   1.7816 2.219379 2.030441 
1 1 1  -14   43    3 o   62.120   0.9577  3742.52  100.734  3729.85  116.662  3779.65  199.711   61.952   0.9701   62.289   1.6517 -0.3374596 1.915490 
1 1 1  -14   43    4 o   79.712   1.0151  6245.10  142.794  6332.70  170.316  6037.81  261.985   80.710   1.0871   78.715   1.7146 1.995506 2.030145 
1 1 1  -14   43    5 o   30.589   1.1454  898.413   37.432  895.852   39.057  927.287  131.135   30.372   0.6625   30.806   2.1929 -0.4346943 2.290755 
1 1 1  -14   43    6 o   25.349   0.6307  624.039   31.033  624.039   31.033   0.0000   0.0000   25.349   0.6307  ?   ?       ?      ? 
1 1 1  -14   43    7 o   34.611   1.1372  1167.11   76.392  1179.63  109.134  1155.08  106.966   34.792   1.6159   34.430   1.6005 0.3625526 2.274353 
1 1 1  -14   43    8 o   95.197   1.2682  8841.05  234.320  9022.04  334.503  8666.66  328.341   96.154   1.7921   94.240   1.7948 1.913551 2.536368 
1 1 1  -14   43    9 o   46.668   1.5520  2123.30  140.600  2123.30  140.600   0.0000   0.0000   46.668   1.5520  ?   ?       ?      ? 
1 1 1  -14   43   10 o   42.096   1.6725  1729.78  136.667  1729.78  136.667   0.0000   0.0000   42.096   1.6725  ?   ?       ?      ? 
1 1 1  -14   43   11 o   34.840   1.8596  1187.03  125.765  1187.03  125.765   0.0000   0.0000   34.840   1.8596  ?   ?       ?      ? 
1 1 1  -14   43   12 o   30.132   1.8188  888.259  106.384  888.259  106.384   0.0000   0.0000   30.132   1.8188  ?   ?       ?      ? 
1 1 1  -14   43   13 o   15.751   3.5498  258.293  105.937  258.293  105.937   0.0000   0.0000   15.751   3.5498  ?   ?       ?      ? 
1 1 1  -14   43   14 o   8.7014   3.7760  -9.3806  118.255  -9.3806  118.255   0.0000   0.0000   8.7014   3.7760  ?   ?       ?      ? 
1 1 1  -14   43   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   43   16 o   11.458   4.3409  107.428  132.669  107.428  132.669   0.0000   0.0000   11.458   4.3409  ?   ?       ?      ? 
1 1 1  -14   43   17 o   23.284   2.4117  541.108  109.006  541.108  109.006   0.0000   0.0000   23.284   2.4117  ?   ?       ?      ? 
1 1 1  -14   43   18 o   10.154   4.0450   70.694  119.778   70.694  119.778   0.0000   0.0000   10.154   4.0450  ?   ?       ?      ? 
1 1 1  -14   43   19 o   19.380   3.7931  407.655  137.588  407.655  137.588   0.0000   0.0000   19.380   3.7931  ?   ?       ?      ? 
1 1 1  -14   43   20 o   20.781   3.2185  449.950  129.832  449.950  129.832   0.0000   0.0000   20.781   3.2185  ?   ?       ?      ? 
1 1 1  -14   43   21 o   35.395   1.7979  1248.52  123.534  1248.52  123.534   0.0000   0.0000   35.395   1.7979  ?   ?       ?      ? 
1 1 1  -14   43   22 f   11.777   3.8703  153.582  102.350  153.582  102.350   0.0000   0.0000   11.777   3.8703  ?   ?       ?      ? 
1 1 1  -14   43   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   44    1 o   15.351   2.2217  235.355   57.345  233.978   66.327  239.431  114.122   15.466   2.2092   15.237   3.8554 0.2298431 4.443477 
1 1 1  -14   44    2 o   75.052   0.9653  5447.14  129.270  5392.65  154.502  5574.33  236.028   74.472   1.0687   75.631   1.6077 -1.158852 1.930501 
1 1 1  -14   44    3 o   33.247   0.9778  1077.77   58.541  1080.67   70.704  1071.44  104.397   33.337   1.0926   33.157   1.6220 0.1799088 1.955662 
1 1 1  -14   44    4 o   19.327   1.7107  371.591   50.798  375.323   56.774  356.611  113.740   19.630   1.4899   19.025   3.0799 0.6052246 3.421330 
1 1 1  -14   44    5 o   35.899   0.6461  1251.67   45.024  1251.67   45.024   0.0000   0.0000   35.899   0.6461  ?   ?       ?      ? 
1 1 1  -14   44    6 o   12.843   2.1944  187.048   27.514  190.755   28.196  113.249  125.813   14.006   1.0371   11.681   4.2646 2.325004 4.388846 
1 1 1  -14   44    7 o   67.375   1.1143  4434.62  145.396  4579.47  201.002  4275.64  210.573   68.544   1.5107   66.207   1.6385 2.337517 2.228597 
1 1 1  -14   44    8 o   14.770   3.8875  225.948  112.978  225.948  112.978   0.0000   0.0000   14.770   3.8875  ?   ?       ?      ? 
1 1 1  -14   44    9 o   30.525   2.1654  913.367  128.312  913.367  128.312   0.0000   0.0000   30.525   2.1654  ?   ?       ?      ? 
1 1 1  -14   44   10 o   48.707   1.5931  2315.76  150.620  2315.76  150.620   0.0000   0.0000   48.707   1.5931  ?   ?       ?      ? 
1 1 1  -14   44   11 f   34.031   1.8048  1133.06  119.226  1133.06  119.226   0.0000   0.0000   34.031   1.8048  ?   ?       ?      ? 
1 1 1  -14   44   12 o   38.177   1.4662  1423.02  108.657  1423.02  108.657   0.0000   0.0000   38.177   1.4662  ?   ?       ?      ? 
1 1 1  -14   44   13 o   37.415   1.7720  1371.77  128.695  1371.77  128.695   0.0000   0.0000   37.415   1.7720  ?   ?       ?      ? 
1 1 1  -14   44   14 o   51.501   1.4782  2593.14  147.777  2593.14  147.777   0.0000   0.0000   51.501   1.4782  ?   ?       ?      ? 
1 1 1  -14   44   15 o   28.388   2.2180  796.986  122.225  796.986  122.225   0.0000   0.0000   28.388   2.2180  ?   ?       ?      ? 
1 1 1  -14   44   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   44   17 o   6.3557   3.1100 -227.3404  128.315 -227.3404  128.315   0.0000   0.0000   6.3557   3.1100  ?   ?       ?      ? 
1 1 1  -14   44   18 o   29.545   2.0493  869.438  117.530  869.438  117.530   0.0000   0.0000   29.545   2.0493  ?   ?       ?      ? 
1 1 1  -14   44   19 o   8.8558   3.8239   9.0877  120.067   9.0877  120.067   0.0000   0.0000   8.8558   3.8239  ?   ?       ?      ? 
1 1 1  -14   44   20 o   10.774   4.3482   87.097  140.322   87.097  140.322   0.0000   0.0000   10.774   4.3482  ?   ?       ?      ? 
1 1 1  -14   44   21 o   8.2217   3.7979 -71.8493  142.042 -71.8493  142.042   0.0000   0.0000   8.2217   3.7979  ?   ?       ?      ? 
1 1 1  -14   44   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   44   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   45    1 o   56.364   0.9358  3110.68   90.788  3130.61  106.368  3057.20  174.240   56.742   0.9657   55.985   1.6033 0.7572212 1.871648 
1 1 1  -14   45    2 o   49.200   0.9789  2326.31   79.519  2298.28   90.791  2418.61  164.778   48.619   0.9620   49.782   1.7052 -1.163136 1.957798 
1 1 1  -14   45    3 o   16.641   2.2494  284.025   57.218  287.472   64.052  270.408  127.310   17.150   1.9240   16.133   4.0666 1.017260 4.498755 
1 1 1  -14   45    4 o   9.6950   2.3573   91.247   49.633  110.397   54.135  -9.7188  124.301   10.398   2.6686   8.9917   3.8866 1.406521 4.714598 
1 1 1  -14   45    5 o   36.984   1.0000  1247.20   43.613  1226.27   45.871  1444.20  140.734   35.529   0.6651   38.439   1.8861 -2.909565 1.999933 
1 1 1  -14   45    6 o   39.214   0.9565  1493.38   43.200  1492.23   45.472  1504.03  138.403   39.196   0.5976   39.232   1.8174 -0.3621674E-01 1.913095 
1 1 1  -14   45    7 o   44.791   1.1709  1960.65  101.696  2034.40  142.558  1884.23  145.117   45.657   1.6085   43.926   1.7019 1.731720 2.341726 
1 1 1  -14   45    8 o   15.143   3.8779  238.577  114.492  238.577  114.492   0.0000   0.0000   15.143   3.8779  ?   ?       ?      ? 
1 1 1  -14   45    9 o   68.215   1.5695  4542.76  207.830  4542.76  207.830   0.0000   0.0000   68.215   1.5695  ?   ?       ?      ? 
1 1 1  -14   45   10 f   17.105   3.4666  302.498  111.162  302.498  111.162   0.0000   0.0000   17.105   3.4666  ?   ?       ?      ? 
1 1 1  -14   45   11 o   47.153   1.4131  2170.21  129.344  2170.21  129.344   0.0000   0.0000   47.153   1.4131  ?   ?       ?      ? 
1 1 1  -14   45   12 o   70.130   1.5351  4808.44  208.982  4808.44  208.982   0.0000   0.0000   70.130   1.5351  ?   ?       ?      ? 
1 1 1  -14   45   13 o   38.971   1.7086  1488.56  129.255  1488.56  129.255   0.0000   0.0000   38.971   1.7086  ?   ?       ?      ? 
1 1 1  -14   45   14 o   13.177   3.5993  182.682   94.667  182.682   94.667   0.0000   0.0000   13.177   3.5993  ?   ?       ?      ? 
1 1 1  -14   45   15 o   29.924   2.0689  886.247  120.176  886.247  120.176   0.0000   0.0000   29.924   2.0689  ?   ?       ?      ? 
1 1 1  -14   45   16 o   6.8863   3.1585 -58.2000   95.806 -58.2000   95.806   0.0000   0.0000   6.8863   3.1585  ?   ?       ?      ? 
1 1 1  -14   45   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   45   18 o   11.758   4.3854  130.156  134.272  130.156  134.272   0.0000   0.0000   11.758   4.3854  ?   ?       ?      ? 
1 1 1  -14   45   19 o   21.876   2.8353  492.415  120.400  492.415  120.400   0.0000   0.0000   21.876   2.8353  ?   ?       ?      ? 
1 1 1  -14   45   20 o   15.184   4.3071  268.138  132.817  268.138  132.817   0.0000   0.0000   15.184   4.3071  ?   ?       ?      ? 
1 1 1  -14   45   21 o   33.851   2.2865  1167.97  150.251  1167.97  150.251   0.0000   0.0000   33.851   2.2865  ?   ?       ?      ? 
1 1 1  -14   45   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   46    1 o   6.6877   2.1211 -25.1350   53.540   3.6961   61.458 -115.8965  109.043   6.5853   2.7864   6.7901   3.1987 -0.2047944 4.242137 
1 1 1  -14   46    2 o   14.821   2.2324  253.212   55.970  287.306   64.904  154.314  110.542   17.135   1.9513   12.507   4.0159 4.628304 4.464848 
1 1 1  -14   46    3 o   29.604   1.1572  832.419   56.815  811.929   64.817  900.368  118.037   28.881   1.1561   30.327   2.0051 -1.445307 2.314493 
1 1 1  -14   46    4 o   22.560   1.2746  412.107   39.779  381.277   42.505  629.653  112.908   19.794   1.1062   25.326   2.2966 -5.532221 2.549183 
1 1 1  -14   46    5 o   25.360   1.1704  572.605   35.625  558.657   37.500  701.747  114.103   23.974   0.8058   26.746   2.1977 -2.772303 2.340748 
1 1 1  -14   46    6 o   11.881   2.0647   94.759   27.962   85.680   28.961  219.574  107.382   9.2250   1.6791   14.538   3.7725 -5.312812 4.129322 
1 1 1  -14   46    7 o   23.772   1.8146  569.916   80.802  401.732  114.475  736.913  114.070   20.140   2.9281   27.405   2.1443 -7.264664 3.629270 
1 1 1  -14   46    8 f   18.170   3.4194  339.798  116.179  339.798  116.179   0.0000   0.0000   18.170   3.4194  ?   ?       ?      ? 
1 1 1  -14   46    9 o   25.850   2.3045  657.960  115.639  657.960  115.639   0.0000   0.0000   25.850   2.3045  ?   ?       ?      ? 
1 1 1  -14   46   10 o   36.833   1.5706  1326.38  112.300  1326.38  112.300   0.0000   0.0000   36.833   1.5706  ?   ?       ?      ? 
1 1 1  -14   46   11 o   14.837   3.3707  229.571   94.871  229.571   94.871   0.0000   0.0000   14.837   3.3707  ?   ?       ?      ? 
1 1 1  -14   46   12 o   30.405   2.1575  911.556  127.337  911.556  127.337   0.0000   0.0000   30.405   2.1575  ?   ?       ?      ? 
1 1 1  -14   46   13 o   10.304   3.7453   92.931   96.884   92.931   96.884   0.0000   0.0000   10.304   3.7453  ?   ?       ?      ? 
1 1 1  -14   46   14 o   47.104   1.5132  2176.14  138.359  2176.14  138.359   0.0000   0.0000   47.104   1.5132  ?   ?       ?      ? 
1 1 1  -14   46   15 o   15.501   3.5484  257.352  104.469  257.352  104.469   0.0000   0.0000   15.501   3.5484  ?   ?       ?      ? 
1 1 1  -14   46   16 o   11.901   4.1313  143.931  116.660  143.931  116.660   0.0000   0.0000   11.901   4.1313  ?   ?       ?      ? 
1 1 1  -14   46   17 o   25.500   1.9437  646.136   96.214  646.136   96.214   0.0000   0.0000   25.500   1.9437  ?   ?       ?      ? 
1 1 1  -14   46   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   46   19 o   31.952   2.5296  1043.16  156.899  1043.16  156.899   0.0000   0.0000   31.952   2.5296  ?   ?       ?      ? 
1 1 1  -14   46   20 o   17.277   4.3180  350.554  144.415  350.554  144.415   0.0000   0.0000   17.277   4.3180  ?   ?       ?      ? 
1 1 1  -14   46   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   46   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   47    1 o   30.007   1.3139  880.868   61.451  880.554   68.818  882.104  136.513   30.069   1.1790   29.944   2.3485 0.1247177 2.627858 
1 1 1  -14   47    2 o   6.7718   2.1688 -34.3211   57.621   6.2656   64.431 -196.4377  128.770   6.7953   2.8629   6.7482   3.2586 0.4707003E-01 4.337561 
1 1 1  -14   47    3 o   22.828   1.6886  553.842   58.387  582.631   65.774  446.834  126.807   24.444   1.3862   21.213   3.0795 3.230782 3.377106 
1 1 1  -14   47    4 o   17.902   1.7954  251.814   40.281  235.042   42.363  409.946  130.078   15.524   1.4058   20.280   3.3042 -4.756597 3.590784 
1 1 1  -14   47    5 o   9.3315   2.2943   74.512   33.634   77.034   34.904   41.734  125.826   8.6893   2.0940   9.9737   4.0830 -1.284380 4.588652 
1 1 1  -14   47    6 o   18.966   1.9024  367.933   30.704  368.798   31.622  353.680  128.374   19.475   0.8365   18.457   3.7118 1.018513 3.804858 
1 1 1  -14   47    7 o   47.127   1.1735  2184.42  106.535  2296.37  144.460  2050.95  157.740   48.484   1.5349   45.770   1.7754 2.713879 2.346917 
1 1 1  -14   47    8 o   25.951   2.2774  663.555  114.724  663.555  114.724   0.0000   0.0000   25.951   2.2774  ?   ?       ?      ? 
1 1 1  -14   47    9 o   32.131   1.7498  1011.54  109.138  1011.54  109.138   0.0000   0.0000   32.131   1.7498  ?   ?       ?      ? 
1 1 1  -14   47   10 o   31.345   1.6513  962.082  100.476  962.082  100.476   0.0000   0.0000   31.345   1.6513  ?   ?       ?      ? 
1 1 1  -14   47   11 o   54.577   1.4682  2913.02  155.548  2913.02  155.548   0.0000   0.0000   54.577   1.4682  ?   ?       ?      ? 
1 1 1  -14   47   12 o   42.625   1.6439  1782.42  136.025  1782.42  136.025   0.0000   0.0000   42.625   1.6439  ?   ?       ?      ? 
1 1 1  -14   47   13 o   23.194   2.1719  533.591   97.787  533.591   97.787   0.0000   0.0000   23.194   2.1719  ?   ?       ?      ? 
1 1 1  -14   47   14 o   17.898   3.4392  339.350  115.146  339.350  115.146   0.0000   0.0000   17.898   3.4392  ?   ?       ?      ? 
1 1 1  -14   47   15 o   9.9605   3.7330   85.512   97.525   85.512   97.525   0.0000   0.0000   9.9605   3.7330  ?   ?       ?      ? 
1 1 1  -14   47   16 o   13.737   4.1857  207.315  121.691  207.315  121.691   0.0000   0.0000   13.737   4.1857  ?   ?       ?      ? 
1 1 1  -14   47   17 o   11.232   4.0681  123.658  114.164  123.658  114.164   0.0000   0.0000   11.232   4.0681  ?   ?       ?      ? 
1 1 1  -14   47   18 o   37.256   1.7917  1381.73  129.575  1381.73  129.575   0.0000   0.0000   37.256   1.7917  ?   ?       ?      ? 
1 1 1  -14   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   48    1 f   6.8649   2.1756 -23.7155   55.335  -5.1367   64.575 -75.0624  107.352   6.5012   2.8057   7.2286   3.3257 -0.7274613 4.351165 
1 1 1  -14   48    2 o   50.873   0.8613  2517.78   79.541  2509.22   96.605  2535.81  140.158   50.777   0.9801   50.970   1.4166 -0.1933632 1.722576 
1 1 1  -14   48    3 o   21.624   1.6252  492.534   57.241  524.460   66.422  400.397  112.838   23.174   1.4765   20.075   2.8956 3.099689 3.250368 
1 1 1  -14   48    4 o   15.971   1.9372  258.653   39.702  259.095   42.680  255.813  108.186   16.296   1.3492   15.646   3.6319 0.6500216 3.874412 
1 1 1  -14   48    5 o   37.131   0.9316  1354.71   46.124  1358.44   49.688  1331.46  124.036   37.386   0.6847   36.876   1.7327 0.5093422 1.863106 
1 1 1  -14   48    6 o   8.7065   1.8980   83.296   29.957   94.660   31.185 -52.6020  107.839   9.8362   1.6332   7.5769   3.4266 2.259282 3.795950 
1 1 1  -14   48    7 f   19.471   1.3629  275.071   28.160  259.660   29.084  506.276  112.650   16.335   0.9172   22.608   2.5669 -6.272894 2.725852 
1 1 1  -14   48    8 o   13.874   3.7732  201.953  104.308  201.953  104.308   0.0000   0.0000   13.874   3.7732  ?   ?       ?      ? 
1 1 1  -14   48    9 o   6.9015   3.1977 -79.7294  101.818 -79.7294  101.818   0.0000   0.0000   6.9015   3.1977  ?   ?       ?      ? 
1 1 1  -14   48   10 o   15.248   3.7715  246.406  111.015  246.406  111.015   0.0000   0.0000   15.248   3.7715  ?   ?       ?      ? 
1 1 1  -14   48   11 o   26.242   2.2027  681.992  112.209  681.992  112.209   0.0000   0.0000   26.242   2.2027  ?   ?       ?      ? 
1 1 1  -14   48   12 o   33.775   1.6989  1122.46  111.382  1122.46  111.382   0.0000   0.0000   33.775   1.6989  ?   ?       ?      ? 
1 1 1  -14   48   13 o   73.225   1.5799  5273.15  224.564  5273.15  224.564   0.0000   0.0000   73.225   1.5799  ?   ?       ?      ? 
1 1 1  -14   48   14 o   45.112   1.5442  2003.61  135.226  2003.61  135.226   0.0000   0.0000   45.112   1.5442  ?   ?       ?      ? 
1 1 1  -14   48   15 o   22.284   2.7084  504.019  117.156  504.019  117.156   0.0000   0.0000   22.284   2.7084  ?   ?       ?      ? 
1 1 1  -14   48   16 o   21.261   2.4548  456.840  101.312  456.840  101.312   0.0000   0.0000   21.261   2.4548  ?   ?       ?      ? 
1 1 1  -14   48   17 o   10.194   4.1175   73.710  125.945   73.710  125.945   0.0000   0.0000   10.194   4.1175  ?   ?       ?      ? 
1 1 1  -14   48   18 o   10.403   4.0880   91.759  120.793   91.759  120.793   0.0000   0.0000   10.403   4.0880  ?   ?       ?      ? 
1 1 1  -14   48   19 o   14.799   4.0569  255.013  120.022  255.013  120.022   0.0000   0.0000   14.799   4.0569  ?   ?       ?      ? 
1 1 1  -14   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   49    1 o   29.523   1.3417  887.944   62.909  913.878   71.498  799.033  132.382   30.614   1.2031   28.432   2.3986 2.181982 2.683387 
1 1 1  -14   49    2 o   40.104   1.0779  1633.37   70.931  1691.39   81.800  1457.51  142.409   41.678   1.0111   38.531   1.9040 3.146778 2.155797 
1 1 1  -14   49    3 o   15.681   1.8920  148.363   39.170  119.795   41.172  420.768  127.137   10.870   2.0257   20.492   3.1961 -9.621745 3.784036 
1 1 1  -14   49    4 o   22.063   1.9196  599.508   41.865  625.730   44.175  368.174  131.206   25.358   0.8974   18.767   3.7329 6.590700 3.839224 
1 1 1  -14   49    5 o   29.875   1.2217  907.686   43.416  916.949   46.030  833.006  130.695   30.707   0.7722   29.043   2.3182 1.663525 2.443424 
1 1 1  -14   49    6 o   38.556   0.9635  1432.10   44.793  1426.71   47.400  1477.10  136.965   38.314   0.6373   38.798   1.8186 -0.4836960 1.927054 
1 1 1  -14   49    7 o   65.779   0.8396  4172.56   85.312  4141.88   95.070  4299.44  193.320   65.261   0.7504   66.297   1.5022 -1.035484 1.679186 
1 1 1  -14   49    8 o   40.803   1.4729  1628.78  116.660  1628.78  116.660   0.0000   0.0000   40.803   1.4729  ?   ?       ?      ? 
1 1 1  -14   49    9 o   50.292   1.4068  2474.41  137.344  2474.41  137.344   0.0000   0.0000   50.292   1.4068  ?   ?       ?      ? 
1 1 1  -14   49   10 o   34.582   1.8670  1178.86  125.331  1178.86  125.331   0.0000   0.0000   34.582   1.8670  ?   ?       ?      ? 
1 1 1  -14   49   11 o   32.136   1.7942  1018.35  111.925  1018.35  111.925   0.0000   0.0000   32.136   1.7942  ?   ?       ?      ? 
1 1 1  -14   49   12 o   42.132   1.3887  1741.05  113.576  1741.05  113.576   0.0000   0.0000   42.132   1.3887  ?   ?       ?      ? 
1 1 1  -14   49   13 o   46.248   1.6232  2109.35  145.727  2109.35  145.727   0.0000   0.0000   46.248   1.6232  ?   ?       ?      ? 
1 1 1  -14   49   14 o   11.756   3.7842  145.613   98.107  145.613   98.107   0.0000   0.0000   11.756   3.7842  ?   ?       ?      ? 
1 1 1  -14   49   15 o   10.770   4.0428  105.245  114.467  105.245  114.467   0.0000   0.0000   10.770   4.0428  ?   ?       ?      ? 
1 1 1  -14   49   16 o   20.744   2.7539  442.076  110.891  442.076  110.891   0.0000   0.0000   20.744   2.7539  ?   ?       ?      ? 
1 1 1  -14   49   17 o   16.130   3.4540  286.529  104.890  286.529  104.890   0.0000   0.0000   16.130   3.4540  ?   ?       ?      ? 
1 1 1  -14   49   18 o   25.218   2.8598  664.740  139.996  664.740  139.996   0.0000   0.0000   25.218   2.8598  ?   ?       ?      ? 
1 1 1  -14   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   50    1 o   25.867   1.3436  667.298   58.744  677.533   68.348  638.362  114.922   26.336   1.3369   25.398   2.3310 0.9379272 2.687146 
1 1 1  -14   50    2 o   38.965   0.9842  1455.48   66.539  1421.78   77.788  1547.39  128.463   38.199   1.0491   39.732   1.6656 -1.533676 1.968425 
1 1 1  -14   50    3 o   15.169   1.9345  215.331   41.171  206.904   44.713  262.283  105.543   14.535   1.5847   15.803   3.5296 -1.267781 3.868995 
1 1 1  -14   50    4 o   52.252   0.8344  2668.01   65.638  2670.78   72.718  2655.81  152.496   52.408   0.7148   52.096   1.5080 0.3123894 1.668784 
1 1 1  -14   50    5 o   5.3415   1.8253 -46.5837   37.924 -30.4389   40.281 -172.5717  112.524   4.4127   2.0328   6.2704   3.0322 -1.857753 3.650540 
1 1 1  -14   50    6 o   16.071   2.0576  258.455   33.722  257.530   35.094  269.597  121.799   16.250   1.1125   15.892   3.9621 0.3585796 4.115290 
1 1 1  -14   50    7 o   14.205   0.9214  196.534   25.407  196.534   25.407   0.0000   0.0000   14.205   0.9214  ?   ?       ?      ? 
1 1 1  -14   50    8 o   33.451   1.6021  1098.51  104.033  1098.51  104.033   0.0000   0.0000   33.451   1.6021  ?   ?       ?      ? 
1 1 1  -14   50    9 o   9.1599   3.7531   40.131  106.426   40.131  106.426   0.0000   0.0000   9.1599   3.7531  ?   ?       ?      ? 
1 1 1  -14   50   10 o   27.694   2.1321  762.000  114.621  762.000  114.621   0.0000   0.0000   27.694   2.1321  ?   ?       ?      ? 
1 1 1  -14   50   11 f   24.077   2.0866  576.644   97.522  576.644   97.522   0.0000   0.0000   24.077   2.0866  ?   ?       ?      ? 
1 1 1  -14   50   12 o   19.228   2.8890  377.400  107.832  377.400  107.832   0.0000   0.0000   19.228   2.8890  ?   ?       ?      ? 
1 1 1  -14   50   13 o   24.132   2.3480  584.799  109.993  584.799  109.993   0.0000   0.0000   24.132   2.3480  ?   ?       ?      ? 
1 1 1  -14   50   14 o   9.5941   3.8350   63.185  108.020   63.185  108.020   0.0000   0.0000   9.5941   3.8350  ?   ?       ?      ? 
1 1 1  -14   50   15 o   11.487   3.8784  139.585  102.646  139.585  102.646   0.0000   0.0000   11.487   3.8784  ?   ?       ?      ? 
1 1 1  -14   50   16 o   10.265   4.0971   82.717  123.099   82.717  123.099   0.0000   0.0000   10.265   4.0971  ?   ?       ?      ? 
1 1 1  -14   50   17 o   26.815   2.1553  728.008  112.191  728.008  112.191   0.0000   0.0000   26.815   2.1553  ?   ?       ?      ? 
1 1 1  -14   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   51    1 o   24.331   1.5951  615.526   63.871  644.191   74.074  532.438  126.111   25.639   1.4883   23.024   2.8217 2.614843 3.190173 
1 1 1  -14   51    2 o   11.558   2.6350  113.712   57.697   93.645   64.935  188.968  125.751   9.6759   3.0749   13.440   4.2799 -3.764123 5.269912 
1 1 1  -14   51    3 o   20.122   1.7510  395.097   56.715  388.622   64.081  418.504  121.832   19.892   1.6595   20.351   3.0839 -0.4593544 3.502089 
1 1 1  -14   51    4 o   15.355   2.1133  224.511   40.259  219.252   42.689  266.800  121.061   14.959   1.4701   15.751   3.9628 -0.7920218 4.226691 
1 1 1  -14   51    5 o   33.587   1.0708  1141.50   46.784  1154.40   50.298  1058.70  127.401   34.443   0.7523   32.731   2.0052 1.712624 2.141643 
1 1 1  -14   51    6 o   30.006   1.1675  978.204   40.649  1004.61   43.172  771.885  120.668   32.136   0.6921   27.875   2.2300 4.260715 2.334932 
1 1 1  -14   51    7 o   13.876   0.9859  187.788   26.557  187.788   26.557   0.0000   0.0000   13.876   0.9859  ?   ?       ?      ? 
1 1 1  -14   51    8 o   31.092   1.8726  955.393  113.020  955.393  113.020   0.0000   0.0000   31.092   1.8726  ?   ?       ?      ? 
1 1 1  -14   51    9 o   26.490   2.2896  700.989  117.735  700.989  117.735   0.0000   0.0000   26.490   2.2896  ?   ?       ?      ? 
1 1 1  -14   51   10 o   20.771   2.5702  435.429  103.628  435.429  103.628   0.0000   0.0000   20.771   2.5702  ?   ?       ?      ? 
1 1 1  -14   51   11 o   31.395   1.7759  975.449  108.228  975.449  108.228   0.0000   0.0000   31.395   1.7759  ?   ?       ?      ? 
1 1 1  -14   51   12 o   19.302   2.9704  381.924  111.300  381.924  111.300   0.0000   0.0000   19.302   2.9704  ?   ?       ?      ? 
1 1 1  -14   51   13 o   7.1927   3.1888 -18.2098   88.498 -18.2098   88.498   0.0000   0.0000   7.1927   3.1888  ?   ?       ?      ? 
1 1 1  -14   51   14 o   21.792   2.7800  488.548  117.600  488.548  117.600   0.0000   0.0000   21.792   2.7800  ?   ?       ?      ? 
1 1 1  -14   51   15 o   22.139   2.4220  499.401  104.088  499.401  104.088   0.0000   0.0000   22.139   2.4220  ?   ?       ?      ? 
1 1 1  -14   51   16 o   20.171   3.0789  429.409  120.557  429.409  120.557   0.0000   0.0000   20.171   3.0789  ?   ?       ?      ? 
1 1 1  -14   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   52    1 o   24.929   1.4826  669.996   62.237  742.568   74.426  501.246  113.490   27.523   1.3930   22.335   2.6176 5.187578 2.965170 
1 1 1  -14   52    2 o   13.659   2.1445  212.691   44.568  224.969   49.045  154.493  106.778   15.117   1.6713   12.200   3.9500 2.917756 4.289047 
1 1 1  -14   52    3 o   23.503   1.3764  581.606   43.914  597.308   47.823  497.150  110.910   24.745   0.9956   22.262   2.5665 2.483242 2.752864 
1 1 1  -14   52    4 o   28.439   1.1978  773.345   43.594  765.790   46.499  828.209  125.305   28.036   0.8544   28.842   2.2381 -0.8056641 2.395620 
1 1 1  -14   52    5 o   30.737   1.1549  853.828   42.997  833.895   45.340  1031.91  135.523   29.262   0.7982   32.211   2.1674 -2.948208 2.309744 
1 1 1  -14   52    6 o   20.836   1.7470  434.361   37.478  434.214   39.030  436.092  134.243   21.099   0.9530   20.573   3.3615 0.5260391 3.493941 
1 1 1  -14   52    7 o   6.9536   1.9883   49.178   28.188   49.178   28.188   0.0000   0.0000   6.9536   1.9883  ?   ?       ?      ? 
1 1 1  -14   52    8 o   13.370   4.0000  194.590  111.883  194.590  111.883   0.0000   0.0000   13.370   4.0000  ?   ?       ?      ? 
1 1 1  -14   52    9 o   10.911   4.0235  110.275  112.389  110.275  112.389   0.0000   0.0000   10.911   4.0235  ?   ?       ?      ? 
1 1 1  -14   52   10 o   14.729   3.5316  235.071   99.666  235.071   99.666   0.0000   0.0000   14.729   3.5316  ?   ?       ?      ? 
1 1 1  -14   52   11 o   16.640   3.6292  301.319  113.927  301.319  113.927   0.0000   0.0000   16.640   3.6292  ?   ?       ?      ? 
1 1 1  -14   52   12 o   11.020   3.9033  121.759  104.476  121.759  104.476   0.0000   0.0000   11.020   3.9033  ?   ?       ?      ? 
1 1 1  -14   52   13 o   7.5172   3.4282 -49.1343  110.769 -49.1343  110.769   0.0000   0.0000   7.5172   3.4282  ?   ?       ?      ? 
1 1 1  -14   52   14 o   19.580   2.8901  398.680  109.845  398.680  109.845   0.0000   0.0000   19.580   2.8901  ?   ?       ?      ? 
1 1 1  -14   52   15 o   27.277   2.2986  757.396  121.713  757.396  121.713   0.0000   0.0000   27.277   2.2986  ?   ?       ?      ? 
1 1 1  -14   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   52   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   53    1 f   9.5311   2.3969 -11.9201   60.723 -91.8553   70.776  211.051  118.206   5.1842   2.4805   13.878   4.1021 -8.693807 4.793772 
1 1 1  -14   53    2 o   25.126   1.4898  666.408   49.499  681.864   53.595  576.742  129.090   26.420   1.0450   23.832   2.7904 2.587851 2.979695 
1 1 1  -14   53    3 o   31.812   1.1875  1001.21   48.745  1002.13   52.207  995.007  136.122   32.065   0.8387   31.559   2.2220 0.5069923 2.375034 
1 1 1  -14   53    4 o   8.1863   2.3030 -12.0074   38.839 -31.7484   41.202  145.467  116.369   4.4256   2.0448   11.947   4.1273 -7.521238 4.606082 
1 1 1  -14   53    5 o   9.7175   2.1811   98.854   38.217  106.177   40.818   46.814  108.811   10.138   2.1413   9.2970   3.8004 0.8409090 4.362123 
1 1 1  -14   53    6 o   24.782   1.3863  673.788   40.000  692.309   42.528  531.744  117.774   26.652   0.8220   22.913   2.6479 3.738594 2.772555 
1 1 1  -14   53    7 o   3.9542   1.8032 -18.9442   30.635 -18.9442   30.635   0.0000   0.0000   3.9542   1.8032  ?   ?       ?      ? 
1 1 1  -14   53    8 o   8.7904   3.7444   17.642  112.255   17.642  112.255   0.0000   0.0000   8.7904   3.7444  ?   ?       ?      ? 
1 1 1  -14   53    9 f   42.813   1.4900  1804.64  123.832  1804.64  123.832   0.0000   0.0000   42.813   1.4900  ?   ?       ?      ? 
1 1 1  -14   53   10 o   19.637   2.7833  394.494  106.099  394.494  106.099   0.0000   0.0000   19.637   2.7833  ?   ?       ?      ? 
1 1 1  -14   53   11 o   15.047   3.8361  252.714  112.385  252.714  112.385   0.0000   0.0000   15.047   3.8361  ?   ?       ?      ? 
1 1 1  -14   53   12 o   12.683   3.5453  177.668   90.676  177.668   90.676   0.0000   0.0000   12.683   3.5453  ?   ?       ?      ? 
1 1 1  -14   53   13 o   8.7611   3.7774   16.675  116.812   16.675  116.812   0.0000   0.0000   8.7611   3.7774  ?   ?       ?      ? 
1 1 1  -14   53   14 o   6.0780   2.9033 -109.9681   96.121 -109.9681   96.121   0.0000   0.0000   6.0780   2.9033  ?   ?       ?      ? 
1 1 1  -14   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   53   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   53   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   54    1 o   27.582   1.3885  788.000   65.592  829.701   77.757  685.117  122.134   29.066   1.3781   26.098   2.4108 2.967386 2.776914 
1 1 1  -14   54    2 o   15.517   2.0165  241.560   45.484  237.042   50.042  263.023  109.077   15.494   1.6638   15.540   3.6738 -0.4602432E-01 4.032955 
1 1 1  -14   54    3 o   18.099   1.5611  264.124   42.180  233.956   45.680  438.691  109.883   15.414   1.5267   20.784   2.7235 -5.370255 3.122222 
1 1 1  -14   54    4 o   17.464   1.9961  306.010   41.682  303.174   44.279  328.078  123.519   17.581   1.2974   17.347   3.7754 0.2347279 3.992117 
1 1 1  -14   54    5 o   15.312   2.2510  289.966   39.347  300.920   41.339  184.419  128.317   17.527   1.2151   13.097   4.3350 4.429677 4.502046 
1 1 1  -14   54    6 o   20.990   1.4227  412.927   39.575  403.755   42.371  475.624  110.782   20.321   1.0742   21.659   2.6349 -1.338591 2.845412 
1 1 1  -14   54    7 o   4.0225   1.8314 -18.7092   31.446 -18.7092   31.446   0.0000   0.0000   4.0225   1.8314  ?   ?       ?      ? 
1 1 1  -14   54    8 o   26.194   2.1637  687.808  110.016  687.808  110.016   0.0000   0.0000   26.194   2.1637  ?   ?       ?      ? 
1 1 1  -14   54    9 o   18.482   2.6509  348.858   95.106  348.858   95.106   0.0000   0.0000   18.482   2.6509  ?   ?       ?      ? 
1 1 1  -14   54   10 o   21.761   2.8064  488.202  118.545  488.202  118.545   0.0000   0.0000   21.761   2.8064  ?   ?       ?      ? 
1 1 1  -14   54   11 o   8.8762   3.6883   39.716  104.738   39.716  104.738   0.0000   0.0000   8.8762   3.6883  ?   ?       ?      ? 
1 1 1  -14   54   12 o   27.009   2.2357  739.539  117.214  739.539  117.214   0.0000   0.0000   27.009   2.2357  ?   ?       ?      ? 
1 1 1  -14   54   13 o   13.093   3.9623  196.320  109.323  196.320  109.323   0.0000   0.0000   13.093   3.9623  ?   ?       ?      ? 
1 1 1  -14   54   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   54   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   54   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   55    1 o   27.648   1.3050  727.205   62.327  690.870   72.311  832.211  122.928   26.497   1.4059   28.799   2.1989 -2.301537 2.609945 
1 1 1  -14   55    2 o   13.670   2.2199  248.245   46.160  272.717   49.720   95.482  124.224   16.626   1.5405   10.714   4.1639 5.912094 4.439737 
1 1 1  -14   55    3 o   10.549   2.3122  119.770   42.596  127.328   45.318   62.467  124.780   11.095   2.1820   10.004   4.0773 1.090972 4.624411 
1 1 1  -14   55    4 o   12.653   2.1965  151.291   41.576  143.925   44.957  194.799  109.261   12.022   1.9265   13.283   3.9480 -1.261505 4.392985 
1 1 1  -14   55    5 o   8.3456   2.3001   25.377   39.613   10.516   42.620  119.685  107.367   5.6843   2.3566   11.007   3.9506 -5.322607 4.600140 
1 1 1  -14   55    6 o   7.3213   2.4017   52.637   39.419   52.637   39.419   0.0000   0.0000   7.3213   2.4017  ?   ?       ?      ? 
1 1 1  -14   55    7 o   4.0986   1.8718 -20.5727   33.173 -20.5727   33.173   0.0000   0.0000   4.0986   1.8718  ?   ?       ?      ? 
1 1 1  -14   55    8 o   22.571   2.1472  512.616   94.076  512.616   94.076   0.0000   0.0000   22.571   2.1472  ?   ?       ?      ? 
1 1 1  -14   55    9 o   28.259   2.0344  801.843  111.602  801.843  111.602   0.0000   0.0000   28.259   2.0344  ?   ?       ?      ? 
1 1 1  -14   55   10 o   45.345   1.6601  2043.71  146.128  2043.71  146.128   0.0000   0.0000   45.345   1.6601  ?   ?       ?      ? 
1 1 1  -14   55   11 o   18.090   2.7913  340.330   98.018  340.330   98.018   0.0000   0.0000   18.090   2.7913  ?   ?       ?      ? 
1 1 1  -14   55   12 o   23.499   2.7133  574.455  123.766  574.455  123.766   0.0000   0.0000   23.499   2.7133  ?   ?       ?      ? 
1 1 1  -14   55   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   55   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   55   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   56    1 o   10.003   2.2950  112.380   49.536  133.465   54.209   5.6515  121.963   11.235   2.5446   8.7699   3.8201 2.465596 4.590037 
1 1 1  -14   56    2 o   12.887   2.1291  210.853   45.395  235.200   50.066   98.343  107.627   15.397   1.6751   10.376   3.9149 5.021246 4.258224 
1 1 1  -14   56    3 o   21.806   1.4696  457.148   45.487  447.935   49.445  507.883  116.029   21.363   1.1923   22.249   2.6865 -0.8862820 2.939181 
1 1 1  -14   56    4 o   15.301   2.2249  238.781   43.467  235.525   46.274  263.202  126.732   15.431   1.5448   15.170   4.1730 0.2610149 4.449718 
1 1 1  -14   56    5 o   26.380   1.4236  723.724   45.795  731.966   48.785  662.612  132.842   27.368   0.9183   25.392   2.6951 1.976706 2.847264 
1 1 1  -14   56    6 f   11.448   1.8767  130.912   41.704  130.912   41.704   0.0000   0.0000   11.448   1.8767  ?   ?       ?      ? 
1 1 1  -14   56    7 o   7.4841   2.1966   57.756   34.000   57.756   34.000   0.0000   0.0000   7.4841   2.1966  ?   ?       ?      ? 
1 1 1  -14   56    8 o   13.246   3.5523  195.822   93.220  195.822   93.220   0.0000   0.0000   13.246   3.5523  ?   ?       ?      ? 
1 1 1  -14   56    9 o   16.235   3.6680  296.029  112.871  296.029  112.871   0.0000   0.0000   16.235   3.6680  ?   ?       ?      ? 
1 1 1  -14   56   10 o   7.5057   3.3796 -27.7613  103.571 -27.7613  103.571   0.0000   0.0000   7.5057   3.3796  ?   ?       ?      ? 
1 1 1  -14   56   11 o   28.900   2.2078  850.783  123.859  850.783  123.859   0.0000   0.0000   28.900   2.2078  ?   ?       ?      ? 
1 1 1  -14   56   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   56   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   57    1 o   33.097   1.1537  1108.76   55.504  1119.99   61.115  1055.84  132.606   33.841   0.9303   32.352   2.1115 1.488277 2.307368 
1 1 1  -14   57    2 o   16.743   2.2939  349.751   50.030  369.630   54.109  232.608  131.352   19.340   1.4413   14.147   4.3555 5.192220 4.587739 
1 1 1  -14   57    3 o   6.6589   2.2061 -77.7719   44.995 -96.0760   48.233   44.992  124.911   3.8061   1.8714   9.5117   3.9956 -5.705613 4.412188 
1 1 1  -14   57    4 o   8.0027   2.2860 -14.6830   43.460 -41.7899   47.164  137.815  111.868   4.5826   2.1411   11.423   4.0397 -6.840193 4.572074 
1 1 1  -14   57    5 o   5.9057   1.9295 -23.9968   43.817   3.9406   46.958 -212.1107  121.849   5.6853   2.4218   6.1262   3.0045 -0.4409547 3.859028 
1 1 1  -14   57    6 o   21.861   1.0051  468.131   42.655  468.131   42.655   0.0000   0.0000   21.861   1.0051  ?   ?       ?      ? 
1 1 1  -14   57    7 o   28.955   0.7488  817.995   42.090  817.995   42.090   0.0000   0.0000   28.955   0.7488  ?   ?       ?      ? 
1 1 1  -14   57    8 o   21.875   0.6860  466.562   29.129  466.562   29.129   0.0000   0.0000   21.875   0.6860  ?   ?       ?      ? 
1 1 1  -14   57    9 o   30.482   2.0857  941.510  123.412  941.510  123.412   0.0000   0.0000   30.482   2.0857  ?   ?       ?      ? 
1 1 1  -14   57   10 f   10.554   3.7615  117.943   97.168  117.943   97.168   0.0000   0.0000   10.554   3.7615  ?   ?       ?      ? 
1 1 1  -14   57   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   57   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   58    1 o   7.8769   2.3866   20.443   47.424   16.594   51.110   44.281  127.184   6.2701   2.5885   9.4838   4.0104 -3.213671 4.773209 
1 1 1  -14   58    2 o   6.8681   2.1079   11.727   45.727   29.872   50.197 -76.7384  110.839   6.6739   2.6312   7.0623   3.2939 -0.3884082 4.215797 
1 1 1  -14   58    3 o   15.517   2.2608  286.487   49.084  299.015   53.454  219.122  123.954   17.343   1.5878   13.691   4.2337 3.651288 4.521639 
1 1 1  -14   58    4 o   32.558   1.2254  1057.54   52.087  1057.19   55.916  1059.83  143.217   32.881   0.8760   32.235   2.2888 0.6464958 2.450716 
1 1 1  -14   58    5 o   11.672   2.2083  138.638   42.973  132.230   47.703  166.229   98.992   11.212   2.2696   12.132   3.7887 -0.9195814 4.416533 
1 1 1  -14   58    6 o   4.2908   1.9956 -33.0590   40.233 -33.0590   40.233   0.0000   0.0000   4.2908   1.9956  ?   ?       ?      ? 
1 1 1  -14   58    7 o   13.571   3.5939  209.898   96.174  209.898   96.174   0.0000   0.0000   13.571   3.5939  ?   ?       ?      ? 
1 1 1  -14   58    8 o   23.550   2.5527  576.436  116.692  576.436  116.692   0.0000   0.0000   23.550   2.5527  ?   ?       ?      ? 
1 1 1  -14   58    9 o   9.6670   3.7504   85.918  100.645   85.918  100.645   0.0000   0.0000   9.6670   3.7504  ?   ?       ?      ? 
1 1 1  -14   58   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   59    1 o   15.084   2.2551  255.998   50.656  260.240   55.808  236.153  120.706   16.096   1.7862   14.071   4.1413 2.024274 4.510106 
1 1 1  -14   59    2 o   15.204   2.3082  225.302   49.176  212.984   52.981  301.930  132.144   14.538   1.8774   15.871   4.2173 -1.333301 4.616309 
1 1 1  -14   59    3 o   7.0889   2.1947   14.412   46.388   26.537   50.169 -57.0563  121.797   6.5290   2.6122   7.6487   3.5275 -1.119648 4.389436 
1 1 1  -14   59    4 o   6.2503   1.9563 -12.1592   47.459   28.664   52.285 -203.1672  113.095   6.6859   2.6697   5.8147   2.8603 0.8712158 3.912593 
1 1 1  -14   59    5 o   4.7588   2.2005 -33.8525   47.853 -33.8525   47.853   0.0000   0.0000   4.7588   2.2005  ?   ?       ?      ? 
1 1 1  -14   59    6 o   21.676   2.4330  487.022  102.371  487.022  102.371   0.0000   0.0000   21.676   2.4330  ?   ?       ?      ? 
1 1 1  -14   59    7 o   12.408   3.9920  181.484  109.190  181.484  109.190   0.0000   0.0000   12.408   3.9920  ?   ?       ?      ? 
1 1 1  -14   59    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -14   60    1 o   6.2612   2.0790 -30.0609   50.308  -5.9413   53.862 -194.9511  140.831   5.7248   2.5149   6.7976   3.3113 -1.072773 4.158097 
1 1 1  -14   60    2 o   8.8556   2.3199   75.136   48.687   78.146   56.017   65.841   98.449   8.6316   2.8646   9.0797   3.6499 -0.4481058 4.639773 
1 1 1  -14   60    3 o   7.8398   2.3762   29.265   49.046   31.527   52.888   15.374  131.083   6.7783   2.6918   8.9013   3.9166 -2.122980 4.752370 
1 1 1  -14   60    4 o   15.216   2.3888  257.474   51.613  256.794   55.797  261.501  135.853   15.953   1.8018   14.478   4.4249 1.475142 4.777631 
1 1 1  -14   60    5 f   33.984   1.6141  1156.66  106.479  1156.66  106.479   0.0000   0.0000   33.984   1.6141  ?   ?       ?      ? 
1 1 1  -13    0    1 o  356.298   2.3892 123273.20  1651.43 121953.10  2297.39 124684.60  2375.53  354.328   3.3408  358.269   3.4164 -0.000000 0.000000 
1 1 1  -13    0    2 o  319.639   2.2747 99193.08  1410.25 97858.64  1956.39 100636.50  2034.70  317.405   3.1760  321.873   3.2572 -0.000000 0.000000 
1 1 1  -13    0    3 o  238.693   1.9947 55339.46  923.804 56697.11  1312.08 54004.88  1300.90  241.599   2.7985  235.788   2.8431 -0.000000 0.000000 
1 1 1  -13    0    4 o  271.393   2.1046 71500.67  1107.43 70567.91  1529.90 72527.38  1605.10  269.538   2.9248  273.248   3.0269 -0.000000 0.000000 
1 1 1  -13    0    5 o  393.265   2.4953 150228.50  1903.92 149764.09  2655.58 150719.70  2731.11  392.644   3.4848  393.886   3.5726 -0.000000 0.000000 
1 1 1  -13    0    6 o   49.846   0.7883  2415.46   76.184  2427.12  107.136  2403.53  108.354   49.968   1.1057   49.723   1.1239 -0.000000 0.000000 
1 1 1  -13    0    7 o   40.393   4.3465  1677.66  314.769  1477.75  423.416  1924.63  470.616   37.459   6.3783   43.326   5.9062 -0.000000 0.000000 
1 1 1  -13    0    8 o  278.309   2.1444 75255.62  1158.07 75594.53  1628.25 74908.67  1647.43  278.946   3.0078  277.673   3.0572 -0.000000 0.000000 
1 1 1  -13    0    9 o  515.579   3.1749 258134.30  3173.38 264718.31  4620.25 252254.50  4366.19  521.781   4.5623  509.376   4.4164 -0.000000 0.000000 
1 1 1  -13    0   10 o   22.602   1.0724  503.091   46.479  469.493   65.627  536.902   65.835   21.824   1.5677   23.381   1.4637 -0.000000 0.000000 
1 1 1  -13    0   11 f  164.567   2.8303 26332.24  903.563 26332.24  903.563   0.0000   0.0000  164.567   2.8303  164.567   2.8303 -0.000000 0.000000 
1 1 1  -13    0   12 o  205.218   2.4595 40564.02  875.100 40074.77  1025.44 41875.32  1678.78  203.065   2.6024  207.370   4.1743 -0.000000 0.000000 
1 1 1  -13    0   13 o  136.469   2.2095 16505.16  439.981 15746.59  478.366 20670.81  1121.00  127.300   1.9368  145.637   3.9719 -0.000000 0.000000 
1 1 1  -13    0   14 o   46.314   4.1825  2274.47  103.546  2279.17  104.936  2100.76  638.281   48.416   1.1179   44.213   8.2900 -0.000000 0.000000 
1 1 1  -13    0   15 o   42.439   3.4895  1618.68   87.141  1607.62   88.261  2046.27  548.706   40.647   1.1205   44.230   6.8885 -0.000000 0.000000 
1 1 1  -13    0   16 o   88.693   3.0603  8072.51  262.165  8130.90  272.136  7319.13  977.468   91.466   1.5337   85.919   5.9254 -0.000000 0.000000 
1 1 1  -13    0   17 o   13.814   3.8620  279.328   67.431  290.902   68.002 -401.0113  521.369   16.899   2.1714   10.730   7.4125 -0.000000 0.000000 
1 1 1  -13    0   18 f  146.835   2.6286 21179.08  582.629 21262.70  646.883 20819.77  1340.91  147.862   2.2549  145.807   4.7490 -0.000000 0.000000 
1 1 1  -13    0   19 o   23.451   8.6661  812.745  510.082  707.213  884.414  865.345  624.394   22.696   12.903   24.206   11.573 -0.000000 0.000000 
1 1 1  -13    0   20 o   31.782   8.3255  1359.48  513.112  1843.20  737.851  906.483  714.035   38.962   11.246   24.602   12.279 -0.000000 0.000000 
1 1 1  -13    0   21 o   18.348   4.8627  505.579  101.995  521.226  102.930 -343.8843  758.403   22.783   2.3873   13.912   9.4278 -0.000000 0.000000 
1 1 1  -13    0   22 o   51.489   6.6128  3681.61  167.444  3733.12  170.265  2165.41  923.754   61.942   1.4177   41.036   13.149 -0.000000 0.000000 
1 1 1  -13    0   23 o   15.311   6.2816  201.998  110.173  201.376  111.063  240.344  872.008   12.212   4.8529   18.409   11.588 -0.000000 0.000000 
1 1 1  -13    0   24 f   21.903   7.7211  377.902  104.007  375.419  104.310  803.199  1365.30   18.915   3.0881   24.890   15.130 -0.000000 0.000000 
1 1 1  -13    0   25 o   38.496   8.8178  2108.69  138.415  2112.23  138.891  1593.79  1674.53   46.537   1.5413   30.456   17.568 -0.000000 0.000000 
1 1 1  -13    0   26 f   12.848   6.5258   50.116  115.347   51.230  115.882 -69.4753  1201.16   7.3089   4.4258   18.386   12.278 -0.000000 0.000000 
1 1 1  -13    0   27 o   20.311   7.5158  342.798  121.639  337.421  122.201  923.945  1270.33   17.148   4.2409   23.473   14.421 -0.000000 0.000000 
1 1 1  -13    0   28 o   9.3996   5.1727  126.021  136.583  126.021  136.583   0.0000   0.0000   9.3996   5.1727   9.3996   5.1727 -0.000000 0.000000 
1 1 1  -13    0   29 o   19.747   3.6075  423.072  124.633  423.072  124.633   0.0000   0.0000   19.747   3.6075   19.747   3.6075 -0.000000 0.000000 
1 1 1  -13    0   30 o   9.7333   5.0629  145.699  124.415  145.699  124.415   0.0000   0.0000   9.7333   5.0629   9.7333   5.0629 -0.000000 0.000000 
1 1 1  -13    0   31 o   10.162   5.3339  162.616  139.033  162.616  139.033   0.0000   0.0000   10.162   5.3339   10.162   5.3339 -0.000000 0.000000 
1 1 1  -13    0   32 o   19.432   4.2523  437.611  140.459  437.611  140.459   0.0000   0.0000   19.432   4.2523   19.432   4.2523 -0.000000 0.000000 
1 1 1  -13    0   33 o   8.1816   5.0469   82.937  157.002   82.937  157.002   0.0000   0.0000   8.1816   5.0469   8.1816   5.0469 -0.000000 0.000000 
1 1 1  -13    1    1 o   83.428   0.7198  6756.03  116.576  6801.48  165.400  6711.16  164.333   83.707   1.0179   83.150   1.0181 0.5576096 1.439688 
1 1 1  -13    1    2 o  126.762   0.9652 15597.55  237.491 15360.67  334.403 15838.60  337.341  125.791   1.3695  127.733   1.3605 -1.942085 1.930404 
1 1 1  -13    1    3 o  235.420   1.3781 53809.61  629.777 53440.35  887.322 54184.43  893.993  234.606   1.9484  236.234   1.9495 -1.627579 2.756242 
1 1 1  -13    1    4 f  209.472   1.3127 42600.20  533.741 42863.21  758.372 42342.06  751.326  210.113   1.8594  208.831   1.8534 1.280991 2.625320 
1 1 1  -13    1    5 o  111.719   1.0161 12046.02  211.788 11865.80  264.188 12370.13  354.287  110.560   1.2310  112.878   1.6169 -2.318687 2.032150 
1 1 1  -13    1    6 o   77.684   0.6784  5857.22  102.301  5934.29  145.638  5782.15  143.731   78.189   0.9595   77.180   0.9594 1.008827 1.356872 
1 1 1  -13    1    7 o  400.667   1.7955 155931.91  1396.44 155003.41  1964.08 156881.09  1985.81  399.462   2.5329  401.872   2.5456 -2.410706 3.591037 
1 1 1  -13    1    8 o  340.727   1.6702 112758.80  1104.62 113388.50  1570.86 112142.80  1553.61  341.667   2.3685  339.786   2.3554 1.880554 3.340321 
1 1 1  -13    1    9 o  108.900   1.0451 11394.10  206.621 11851.08  366.996 11182.02  250.010  110.476   1.7113  107.324   1.2000 3.151840 2.090143 
1 1 1  -13    1   10 o   24.125   0.6963  566.010   32.542  584.971   45.093  545.405   47.009   24.548   0.9463   23.703   1.0217 0.8450298 1.392596 
1 1 1  -13    1   11 o  133.319   1.2904 17264.13  333.952 17302.23  471.272 17225.70  473.292  133.467   1.8190  133.171   1.8309 0.2961578 2.580847 
1 1 1  -13    1   12 o   92.740   1.0433  8352.04  187.814  8348.21  266.044  8355.84  265.177   92.718   1.4782   92.761   1.4727 -0.4250336E-01 2.086561 
1 1 1  -13    1   13 o  438.729   2.1192 187195.59  1804.59 188793.70  2575.96 185655.41  2528.85  440.563   3.0121  436.895   2.9818 3.667542 4.238382 
1 1 1  -13    1   14 f   82.725   1.0061  6644.71  161.485  6374.38  226.674  6923.29  230.112   81.016   1.4413   84.434   1.4040 -3.417503 2.012108 
1 1 1  -13    1   15 o   40.429   0.7800  1586.40   61.195  1642.61   87.543  1532.69   85.577   41.129   1.0965   39.729   1.1096 1.400192 1.559996 
1 1 1  -13    1   16 o   64.145   0.8394  3992.90  104.476  3878.84  145.329  4114.89  150.298   63.198   1.1846   65.092   1.1895 -1.894386 1.678755 
1 1 1  -13    1   17 o   67.346   0.9027  4405.09  117.995  4500.21  167.753  4311.94  166.001   68.066   1.2696   66.626   1.2835 1.439552 1.805366 
1 1 1  -13    1   18 o  134.346   1.3584 17549.40  354.228 17233.90  498.232 17871.90  503.722  133.124   1.9280  135.568   1.9141 -2.443604 2.716816 
1 1 1  -13    1   19 o   58.964   3.9568  3435.85  450.424  3468.02  674.218  3409.92  605.328   59.157   5.8712   58.770   5.3060 0.3866920 7.913598 
1 1 1  -13    1   20 o   37.232   6.0030  1463.58  424.220  1541.01  587.711  1379.36  612.960   38.359   8.1446   36.105   8.8211 2.253460 12.00606 
1 1 1  -13    1   21 o   57.943   0.9506  3267.52  106.768  3378.52  148.742  3149.54  153.348   58.962   1.2996   56.924   1.3878 2.038177 1.901240 
1 1 1  -13    1   22 o   46.741   1.0005  2124.87   90.750  2073.62  128.732  2175.50  127.953   46.180   1.4361   47.303   1.3935 -1.123421 2.001000 
1 1 1  -13    1   23 o   32.889   1.3242  1053.65   84.102  1201.12  120.914  915.442  117.055   35.125   1.7734   30.654   1.9672 4.471069 2.648498 
1 1 1  -13    1   24 o   14.486   2.4761  206.258   76.787  339.508  109.578   77.691  107.635   18.607   3.0337   10.366   3.9141 8.241799 4.952106 
1 1 1  -13    1   25 o   65.267   1.0485  4147.11  132.819  4082.10  188.199  4211.61  187.473   64.755   1.4972   65.778   1.4682 -1.022926 2.096961 
1 1 1  -13    1   26 o   25.337   1.7239  632.924   84.400  579.940  121.486  682.353  117.340   24.291   2.5764   26.384   2.2911 -2.092062 3.447746 
1 1 1  -13    1   27 o   35.000   1.4143  1200.68   96.082  1195.57  136.552  1205.69  135.218   34.924   2.0142   35.076   1.9859 -0.1522903 2.828583 
1 1 1  -13    1   28 o   54.537   1.2007  2909.22  126.871  3170.99  182.911  2666.52  176.126   56.910   1.6557   52.164   1.7394 4.746284 2.401417 
1 1 1  -13    1   29 f   56.967   1.1500  3179.18  126.989  3324.76  185.690  3051.27  174.054   58.182   1.6441   55.752   1.6083 2.430111 2.299930 
1 1 1  -13    1   30 o   23.824   1.9853  578.629   91.388  639.448  129.195  517.719  129.291   25.140   2.6473   22.507   2.9593 2.633041 3.970594 
1 1 1  -13    1   31 o   21.503   2.4278  493.237   98.185  559.401  138.901  427.161  138.807   23.239   3.0791   19.768   3.7545 3.470427 4.855689 
1 1 1  -13    1   32 o   24.634   2.1008  633.858  100.305  683.719  145.293  588.454  138.645   25.584   2.9255   23.683   3.0158 1.901728 4.201667 
1 1 1  -13    1   33 o   8.9476   2.8460 -14.4641  103.907   9.4595  141.562 -42.4087  152.997   9.1515   4.0463   8.7438   4.0034 0.4077044 5.692028 
1 1 1  -13    2    1 o  171.845   1.1703 28669.91  390.388 28572.41  552.000 28767.48  552.185  171.553   1.6576  172.138   1.6525 -0.5847321 2.340590 
1 1 1  -13    2    2 o  381.851   1.7448 141602.91  1293.33 141911.09  1831.06 141296.00  1827.05  382.266   2.4676  381.436   2.4675 0.8294067 3.489658 
1 1 1  -13    2    3 o  220.867   1.3530 47364.16  580.078 47409.43  820.540 47318.93  820.169  220.973   1.9129  220.762   1.9139 0.2110443 2.705951 
1 1 1  -13    2    4 o  301.186   1.5629 88083.07  913.749 88633.56  1298.38 87542.88  1286.18  302.118   2.2139  300.254   2.2067 1.864166 3.125861 
1 1 1  -13    2    5 o  109.083   0.8645 11547.49  183.020 11333.12  256.241 11770.74  261.498  108.049   1.2217  110.116   1.2234 -2.066353 1.728909 
1 1 1  -13    2    6 o   95.309   0.7967  8817.11  147.380  8968.96  209.452  8668.20  207.416   96.122   1.1225   94.496   1.1307 1.625465 1.593313 
1 1 1  -13    2    7 o  181.121   1.2297 31844.77  432.248 31495.53  604.167 32210.98  618.673  180.104   1.7281  182.137   1.7498 -2.033249 2.459316 
1 1 1  -13    2    8 o  278.429   1.5192 75288.21  821.037 75440.27  1167.44 75139.41  1154.91  278.707   2.1579  278.152   2.1389 0.5547791 3.038323 
1 1 1  -13    2    9 o  241.105   1.4134 56456.29  661.487 56173.92  935.759 56738.32  935.210  240.502   2.0044  241.708   1.9932 -1.205994 2.826735 
1 1 1  -13    2   10 o  136.636   1.0076 18119.03  267.176 18511.21  382.833 17746.64  373.044  138.076   1.4283  135.195   1.4215 2.881317 2.015103 
1 1 1  -13    2   11 o  121.000   1.2223 14210.69  286.955 14507.12  413.528 13935.38  398.521  122.216   1.7431  119.784   1.7139 2.431190 2.444527 
1 1 1  -13    2   12 o   57.075   0.7986  3164.10   88.386  3130.92  127.545  3194.75  122.595   56.787   1.1570   57.364   1.1010 -0.5767326 1.597137 
1 1 1  -13    2   13 o   80.345   0.9856  6270.10  153.669  6170.23  218.830  6367.27  215.843   79.713   1.4142   80.977   1.3731 -1.263878 1.971157 
1 1 1  -13    2   14 o   59.358   0.8248  3421.07   95.037  3394.84  134.195  3447.46  134.611   59.130   1.1691   59.586   1.1638 -0.4566498 1.649620 
1 1 1  -13    2   15 o  105.131   1.1375 10736.93  232.097 10691.03  324.794 10784.83  331.787  104.902   1.5950  105.359   1.6223 -0.4574127 2.275022 
1 1 1  -13    2   16 o   96.988   1.0644  9138.54  200.391  9186.38  284.661  9091.55  282.147   97.240   1.5081   96.737   1.5025 0.5028534 2.128800 
1 1 1  -13    2   17 o   25.060   1.0628  610.360   51.654  606.531   74.563  613.893   71.625   24.984   1.5374   25.136   1.4679 -0.1524315 2.125664 
1 1 1  -13    2   18 o  114.544   1.2808 12761.32  284.258 12667.19  413.940 12845.31  391.041  114.137   1.8683  114.950   1.7525 -0.8121948 2.561569 
1 1 1  -13    2   19 o   79.233   3.3748  6207.81  516.427  6649.67  713.859  5722.66  748.013   82.272   4.4699   76.194   5.0574 6.078255 6.749590 
1 1 1  -13    2   20 o   23.647   4.2752  349.058   83.535  863.309  482.006  333.134   84.818   28.802   8.2174   18.493   2.3628 10.30936 8.550386 
1 1 1  -13    2   21 o   49.902   3.4151  2471.57  132.500  2443.46  640.942  2472.83  135.425   49.365   6.6886   50.440   1.3831 -1.075005 6.830133 
1 1 1  -13    2   22 o   22.105   1.6328  475.431   69.974  509.047  101.553  445.043   96.553   22.848   2.2897   21.362   2.3284 1.486284 3.265641 
1 1 1  -13    2   23 f   34.363   1.2756  1148.55   84.994  1074.52  118.308  1227.51  122.184   33.218   1.8347   35.508   1.7726 -2.290119 2.551162 
1 1 1  -13    2   24 o   43.518   1.1021  1841.97   93.061  1884.60  133.937  1802.17  129.398   44.004   1.5680   43.033   1.5490 0.9717216 2.204109 
1 1 1  -13    2   25 o   30.441   1.3907  904.094   81.957  817.672  114.522  994.817  117.338   28.944   2.0383   31.938   1.8926 -2.993961 2.781459 
1 1 1  -13    2   26 o   48.551   1.0934  2298.20  103.030  2303.96  147.182  2292.66  144.274   48.609   1.5598   48.493   1.5326 0.1154938 2.186797 
1 1 1  -13    2   27 o   35.105   1.3911  1206.61   94.759  1166.88  131.981  1248.88  136.136   34.509   1.9702   35.702   1.9643 -1.192947 2.782162 
1 1 1  -13    2   28 o   33.550   1.5419  1108.08   99.969  971.656  138.703  1255.56  144.211   31.381   2.2770   35.720   2.0798 -4.339495 3.083858 
1 1 1  -13    2   29 o   21.616   2.2202  475.635   89.725  589.437  132.282  378.661  122.110   24.222   2.8133   19.010   3.4354 5.211733 4.440391 
1 1 1  -13    2   30 o   14.954   2.8238  245.281   85.947  171.008  120.444  322.337  122.681   12.698   4.1997   17.211   3.7759 -4.512990 5.647571 
1 1 1  -13    2   31 o   32.769   1.6462  1082.91  104.370  1194.93  149.069  975.178  146.178   34.484   2.2269   31.054   2.4249 3.430107 3.292319 
1 1 1  -13    2   32 o   10.600   3.0248   73.477  101.821 -23.9889  151.006  154.738  137.882   9.0979   4.0901   12.101   4.4574 -3.003461 6.049538 
1 1 1  -13    2   33 o   16.291   3.2190  328.909  105.690  338.441  152.057  320.000  147.008   16.499   4.5837   16.083   4.5207 0.4156322 6.437905 
1 1 1  -13    3    1 o  187.826   1.2221 34249.58  445.550 34119.24  626.490 34382.97  633.778  187.464   1.7216  188.187   1.7349 -0.7227020 2.444148 
1 1 1  -13    3    2 o  158.085   1.2578 24356.85  379.975 24817.57  498.033 23715.13  587.781  159.885   1.6047  156.285   1.9375 3.600388 2.515695 
1 1 1  -13    3    3 o   52.518   0.6837  2671.63   66.561  2658.49   82.568  2696.02  112.483   52.334   0.8128   52.701   1.0995 -0.3666763 1.367304 
1 1 1  -13    3    4 o  187.594   1.2334 34162.90  449.099 34474.21  639.788 33860.51  630.557  188.436   1.7491  186.751   1.7394 1.684433 2.466722 
1 1 1  -13    3    5 o  231.551   1.3735 52059.22  617.334 51615.21  871.059 52507.29  875.040  230.559   1.9463  232.544   1.9385 -1.984238 2.746919 
1 1 1  -13    3    6 o  218.900   1.3400 46528.81  569.376 46418.60  808.372 46637.31  802.104  218.642   1.9046  219.158   1.8854 -0.5154419 2.680011 
1 1 1  -13    3    7 o  458.266   2.1697 203726.59  1919.73 207402.91  2879.08 200783.59  2575.97  461.955   3.2106  454.576   2.9192 7.378937 4.339354 
1 1 1  -13    3    8 o  114.075   0.8950 12631.60  198.156 12552.88  277.452 12713.57  283.103  113.712   1.2569  114.437   1.2744 -0.7251740 1.789984 
1 1 1  -13    3    9 o   90.980   0.7793  8035.26  137.626  7991.81  194.141  8079.14  195.129   90.733   1.1023   91.227   1.1019 -0.4943771 1.558565 
1 1 1  -13    3   10 o  110.852   1.0134 11979.12  211.166 11736.89  342.886 12127.12  268.023  109.940   1.6067  111.763   1.2354 -1.823547 2.026728 
1 1 1  -13    3   11 o  204.888   1.5305 40787.37  608.714 40787.70  860.091 40787.04  861.613  204.889   2.1625  204.887   2.1664 0.2059937E-02 3.060985 
1 1 1  -13    3   12 o  239.178   1.6614 55583.41  771.213 56288.64  1103.48 54910.02  1078.27  240.659   2.3621  237.697   2.3369 2.962006 3.322738 
1 1 1  -13    3   13 o  146.913   1.4829 20986.32  420.534 21119.57  566.480 20822.73  627.667  147.442   1.9792  146.385   2.2089 1.056702 2.965878 
1 1 1  -13    3   14 o  107.343   1.1648 11193.09  242.683 11157.40  345.447 11227.88  341.007  107.174   1.6605  107.513   1.6339 -0.3393478 2.329567 
1 1 1  -13    3   15 o   62.156   0.8360  3744.08  100.761  3580.41  138.706  3926.96  146.618   60.720   1.1768   63.591   1.1878 -2.870392 1.671999 
1 1 1  -13    3   16 f   42.735   0.7824  1770.74   64.841  1836.55   94.246  1711.58   89.348   43.488   1.1164   41.983   1.0964 1.505257 1.564734 
1 1 1  -13    3   17 o   72.583   0.9340  5118.08  131.589  5071.03  186.573  5164.64  185.620   72.251   1.3303   72.916   1.3114 -0.6646423 1.867995 
1 1 1  -13    3   18 o   69.900   0.9249  4744.56  125.430  4806.19  180.870  4687.46  174.094   70.337   1.3247   69.464   1.2911 0.8726120 1.849801 
1 1 1  -13    3   19 o  176.831   2.3865 30547.23  819.001 29938.07  1143.18 31189.59  1173.92  175.024   3.3647  178.637   3.3853 -3.613312 4.773041 
1 1 1  -13    3   20 o   66.790   2.6109  4325.68  168.349  4418.16  655.306  4319.15  174.195   66.910   5.0453   66.669   1.3460 0.2416992 5.221739 
1 1 1  -13    3   21 o   49.586   3.3220  1967.70  119.727  2977.74  687.555  1936.11  121.585   54.542   6.4940   44.630   1.4034 9.911255 6.643947 
1 1 1  -13    3   22 o   22.539   1.6557  500.892   71.462  455.815  107.298  536.828   95.800   21.607   2.5581   23.471   2.1026 -1.863976 3.311365 
1 1 1  -13    3   23 o   51.126   1.0355  2539.83  102.714  2455.74  142.626  2630.43  148.044   50.248   1.4622   52.004   1.4665 -1.756195 2.070945 
1 1 1  -13    3   24 o   20.166   1.9883  416.200   73.198  314.065  107.658  504.010   99.822   17.610   3.2697   22.723   2.2631 -5.112419 3.976506 
1 1 1  -13    3   25 o   32.524   1.3552  1027.87   85.398  1109.28  125.240  957.129  116.749   33.723   1.9131   31.325   1.9200 2.398563 2.710448 
1 1 1  -13    3   26 o   52.560   1.0795  2692.97  110.085  2706.19  158.408  2680.62  153.095   52.682   1.5490   52.439   1.5040 0.2424622 2.159021 
1 1 1  -13    3   27 o   25.370   1.8075  634.806   89.014  633.083  125.982  636.524  125.787   25.334   2.5617   25.405   2.5507 -0.7051086E-01 3.615026 
1 1 1  -13    3   28 o   69.160   1.1692  4682.81  156.943  4781.86  223.064  4585.71  220.854   69.887   1.6442   68.432   1.6626 1.454948 2.338305 
1 1 1  -13    3   29 o   22.585   2.0160  514.029   87.863  582.330  125.284  447.922  123.255   24.111   2.6768   21.058   3.0152 3.052567 4.031945 
1 1 1  -13    3   30 o   13.537   3.0027  196.003   88.952  248.673  130.154  149.841  121.849   14.954   4.2714   12.120   4.2213 2.833154 6.005380 
1 1 1  -13    3   31 f   27.931   1.8013  790.338   97.501  827.663  143.029  757.936  133.262   28.528   2.5828   27.334   2.5116 1.194153 3.602614 
1 1 1  -13    3   32 f   23.219   2.2876  569.612  102.863  618.178  151.589  528.166  140.037   24.131   3.2361   22.306   3.2341 1.824713 4.575125 
1 1 1  -13    3   33 o   25.774   2.2096  717.179  109.967  641.826  155.713  792.151  155.320   24.268   3.3054   27.280   2.9331 -3.011684 4.419147 
1 1 1  -13    4    1 o  176.911   1.1801 30384.15  405.254 30027.87  571.278 30745.05  574.972  175.867   1.6734  177.955   1.6645 -2.088074 2.360227 
1 1 1  -13    4    2 o  195.982   1.2667 37289.63  481.903 37057.03  678.829 37525.95  684.230  195.366   1.7900  196.598   1.7929 -1.232071 2.533478 
1 1 1  -13    4    3 o  246.819   1.4175 59149.37  679.119 59441.42  964.117 58861.75  956.763  247.423   2.0074  246.214   2.0018 1.209122 2.834922 
1 1 1  -13    4    4 o  141.266   1.0474 19373.30  287.224 19500.38  406.765 19246.94  405.630  141.728   1.4785  140.804   1.4841 0.9241180 2.094852 
1 1 1  -13    4    5 o   32.318   0.7913  1047.42   44.524  1093.90   53.068  936.927   81.827   33.570   0.8144   31.066   1.3569 2.503838 1.582500 
1 1 1  -13    4    6 o  114.974   1.0451 12848.46  226.447 12895.47  287.885 12772.17  366.731  115.254   1.2868  114.695   1.6472 0.5597839 2.090198 
1 1 1  -13    4    7 o   31.740   0.8024  1005.55   45.952  1058.34   56.349  900.768   79.392   33.020   0.8791   30.461   1.3427 2.559145 1.604892 
1 1 1  -13    4    8 o  224.749   1.3629 49047.00  594.593 49723.51  845.423 48384.83  836.412  226.283   1.9247  223.216   1.9303 3.067169 2.725896 
1 1 1  -13    4    9 o  119.100   0.9584 13752.78  221.069 14038.42  325.114 13507.12  301.497  120.247   1.3928  117.952   1.3168 2.295509 1.916732 
1 1 1  -13    4   10 o   79.395   0.8366  6106.52  122.276  6161.52  209.756  6078.22  150.490   79.662   1.3564   79.128   0.9797 0.5337524 1.673264 
1 1 1  -13    4   11 f  123.421   1.2353 14790.92  295.914 15068.03  422.620 14524.38  414.470  124.555   1.7479  122.287   1.7460 2.267479 2.470592 
1 1 1  -13    4   12 o   76.017   0.9698  5613.32  143.039  5442.98  202.800  5781.96  201.780   74.869   1.3954   77.166   1.3471 -2.297394 1.939525 
1 1 1  -13    4   13 o  104.754   1.1562 10650.89  235.024 10927.54  337.712 10391.06  327.283  106.072   1.6401  103.436   1.6300 2.636139 2.312339 
1 1 1  -13    4   14 o   59.351   0.8070  3413.36   92.778  3520.82  136.516  3321.13  126.474   60.217   1.1679   58.485   1.1140 1.731457 1.614005 
1 1 1  -13    4   15 o  105.421   1.1482 10796.66  234.945 10984.52  333.901 10612.45  330.649  106.329   1.6177  104.512   1.6298 1.817131 2.296347 
1 1 1  -13    4   16 o   78.568   0.9669  5992.19  147.372  5890.98  204.186  6102.23  212.918   77.876   1.3507   79.259   1.3839 -1.382507 1.933773 
1 1 1  -13    4   17 o   47.551   0.7992  2193.67   73.711  2251.49  106.857  2141.17  101.812   48.148   1.1433   46.954   1.1170 1.193729 1.598385 
1 1 1  -13    4   18 o   48.263   0.8286  2268.04   77.431  2117.40  110.693  2412.37  108.353   46.688   1.2214   49.838   1.1200 -3.149277 1.657147 
1 1 1  -13    4   19 o   24.296   5.2231  568.353  318.019 -75.9301  507.680  984.438  407.983   17.785   7.7691   30.808   6.9832 -13.02369 10.44628 
1 1 1  -13    4   20 o   23.657   4.5583  588.157   91.701  325.827  575.729  594.985   92.887   22.585   8.9089   24.728   1.9350 -2.143177 9.116628 
1 1 1  -13    4   21 f   49.223   5.0685  3027.25  141.655  1936.22  813.404  3061.38  143.854   42.322   10.051   56.125   1.3204 -13.80349 10.13691 
1 1 1  -13    4   22 o   17.860   1.9687  311.815   68.244  308.192   96.953  315.373   96.077   17.756   2.8129   17.964   2.7552 -0.2082596 3.937472 
1 1 1  -13    4   23 o   84.261   1.1240  6909.49  183.804  6854.14  262.030  6963.10  257.896   83.926   1.6084   84.596   1.5705 -0.6695557 2.247950 
1 1 1  -13    4   24 o   68.305   1.0275  4536.57  136.109  4596.00  197.260  4482.56  188.046   68.729   1.4785   67.881   1.4271 0.8477859 2.054920 
1 1 1  -13    4   25 o   34.858   1.2872  1173.57   86.531  1380.02  128.893  1004.19  116.752   37.627   1.7647   32.089   1.8743 5.538662 2.574323 
1 1 1  -13    4   26 o   51.359   1.1084  2571.90  110.354  2581.77  160.426  2563.03  152.038   51.446   1.6064   51.271   1.5276 0.1747856 2.216801 
1 1 1  -13    4   27 o   13.682   2.8896  190.193   83.843  236.661  119.976  145.837  117.217   15.049   4.0275   12.315   4.1446 2.733905 5.779181 
1 1 1  -13    4   28 o   26.387   1.8821  692.384   96.253  662.156  137.866  721.130  134.443   25.804   2.7523   26.971   2.5679 -1.166548 3.764256 
1 1 1  -13    4   29 o   30.399   1.5460  913.199   90.998  1009.72  132.668  827.439  125.050   31.924   2.1409   28.874   2.2311 3.050232 3.092098 
1 1 1  -13    4   30 o   21.310   2.0959  464.706   86.654  474.280  121.552  454.812  123.569   21.555   2.9051   21.065   3.0219 0.4895287 4.191816 
1 1 1  -13    4   31 o   13.308   2.9992  196.197   89.626  141.217  131.387  244.047  122.572   11.894   4.3556   14.722   4.1244 -2.827406 5.998484 
1 1 1  -13    4   32 o   26.072   2.0541  708.405  103.266  819.371  149.608  607.428  142.716   28.120   2.7408   24.024   3.0602 4.095411 4.108183 
1 1 1  -13    4   33 o   10.575   3.0957   86.408  105.281   40.170  156.266  124.841  142.467   9.9373   4.3265   11.213   4.4289 -1.275464 6.191452 
1 1 1  -13    5    1 f  165.540   1.1290 26602.68  362.772 26435.32  509.651 26774.56  516.493  165.013   1.5911  166.068   1.6022 -1.055115 2.257992 
1 1 1  -13    5    2 o  117.961   0.9138 13507.68  209.244 13669.22  296.523 13347.45  295.311  118.664   1.2873  117.258   1.2974 1.405128 1.827658 
1 1 1  -13    5    3 o  260.459   1.4663 65873.20  741.349 65938.19  1045.59 65807.51  1051.28  260.589   2.0670  260.330   2.0803 0.2590942 2.932616 
1 1 1  -13    5    4 o  105.315   0.9884 10780.81  195.500 10821.36  247.258 10713.18  319.321  105.582   1.2064  105.047   1.5660 0.5346680 1.976772 
1 1 1  -13    5    5 o   13.284   1.5586  161.426   38.251  141.533   46.320  204.080   67.826   12.073   1.9765   14.496   2.4104 -2.422706 3.117159 
1 1 1  -13    5    6 o  218.642   1.3382 46415.16  567.916 46777.08  808.583 46062.80  797.834  219.483   1.8978  217.801   1.8871 1.681625 2.676338 
1 1 1  -13    5    7 o  131.271   1.0027 16728.32  255.488 16875.45  363.355 16584.46  359.307  131.842   1.4198  130.700   1.4162 1.141541 2.005328 
1 1 1  -13    5    8 o  173.495   1.1836 29223.12  398.606 28914.88  559.586 29540.63  567.933  172.567   1.6705  174.424   1.6774 -1.856995 2.367292 
1 1 1  -13    5    9 o  172.408   1.1947 28863.39  399.824 28708.95  564.945 29018.37  565.930  171.945   1.6926  172.870   1.6865 -0.9244080 2.389355 
1 1 1  -13    5   10 o  145.425   1.2328 20522.78  339.573 20610.93  543.991 20466.49  434.656  145.671   1.9238  145.179   1.5423 0.4925995 2.465695 
1 1 1  -13    5   11 o  145.948   1.3219 20689.73  374.489 20991.19  531.756 20393.09  527.485  147.003   1.8635  144.893   1.8754 2.110168 2.643800 
1 1 1  -13    5   12 o  168.915   1.4367 27726.57  470.981 27342.54  670.480 28100.67  661.742  167.758   2.0589  170.072   2.0044 -2.314316 2.873481 
1 1 1  -13    5   13 o  183.410   1.5181 32689.18  540.423 32536.30  769.984 32837.61  758.689  182.985   2.1677  183.835   2.1260 -0.8493805 3.036281 
1 1 1  -13    5   14 o  157.987   1.4209 24254.93  435.760 24110.64  613.546 24401.79  619.006  157.514   2.0066  158.461   2.0124 -0.9476471 2.841851 
1 1 1  -13    5   15 o   30.597   0.8538  914.821   50.215  863.431   75.249  956.077   67.422   29.816   1.3001   31.378   1.1069 -1.561747 1.707506 
1 1 1  -13    5   16 o  171.759   1.4993 28688.71  499.878 28508.25  705.598 28870.55  708.278  171.217   2.1230  172.302   2.1176 -1.085373 2.998562 
1 1 1  -13    5   17 o   67.447   0.8919  4413.70  116.661  4527.67  169.487  4311.07  160.822   68.273   1.2789   66.621   1.2436 1.651619 1.783806 
1 1 1  -13    5   18 o  152.259   1.4931 22551.70  441.259 22237.79  618.784 22876.49  629.420  151.182   2.1085  153.337   2.1146 -2.154617 2.986190 
1 1 1  -13    5   19 o   54.513   3.2847  2868.84  344.256  3457.73  527.520  2432.01  454.338   59.306   4.5822   49.720   4.7074 9.585670 6.569379 
1 1 1  -13    5   20 o   69.300   2.5575  4995.90  187.277  4357.12  634.761  5056.80  196.001   66.466   4.9197   72.133   1.3998 -5.666977 5.115000 
1 1 1  -13    5   21 o   43.123   4.9021  2713.07  133.110  1140.30  662.375  2779.26  135.882   32.769   9.7165   53.477   1.3090 -20.70785 9.804272 
1 1 1  -13    5   22 o   82.962   2.4118  6461.28  226.179  7118.99  754.595  6396.36  237.080   84.828   4.5826   81.095   1.5060 3.732758 4.823692 
1 1 1  -13    5   23 o   25.252   1.5822  630.401   76.161  570.848  116.011  675.508  100.965   24.176   2.4720   26.329   1.9755 -2.152721 3.164414 
1 1 1  -13    5   24 o   68.593   1.0582  4582.85  140.701  4478.04  203.074  4679.61  195.128   67.833   1.5422   69.354   1.4494 -1.520744 2.116406 
1 1 1  -13    5   25 o   91.094   1.1838  8081.37  209.201  8188.81  302.132  7982.42  289.952   91.670   1.6979   90.518   1.6502 1.152664 2.367656 
1 1 1  -13    5   26 o   67.401   1.1020  4430.56  144.175  4400.06  204.062  4460.97  203.728   67.167   1.5651   67.634   1.5518 -0.4661179 2.203958 
1 1 1  -13    5   27 o   37.192   11.809  1915.90  957.859   0.0000   0.0000  1915.90  957.859  ?   ?    37.192   11.809      ?      ? 
1 1 1  -13    5   28 o   97.291   1.3545  9294.58  255.754  9433.49  366.475  9162.69  357.089   97.993   1.9266   96.589   1.9045 1.403511 2.709029 
1 1 1  -13    5   29 o   16.883   2.7022  302.704   86.186  338.454  129.436  274.229  115.519   17.772   3.8622   15.995   3.7804 1.777229 5.404447 
1 1 1  -13    5   30 o   8.2623   2.5843 -25.2417   83.267 -75.0345  121.468   18.900  114.368   7.6358   3.5220   8.8888   3.7827 -1.252984 5.168518 
1 1 1  -13    5   31 o   15.709   2.9691  281.736   91.848  262.213  143.057  295.428  119.801   15.115   4.5233   16.304   3.8474 -1.189123 5.938233 
1 1 1  -13    5   32 o   33.700   1.6900  1154.65  110.328  1243.36  162.225  1078.31  150.490   34.896   2.3949   32.504   2.3851 2.391926 3.379972 
1 1 1  -13    5   33 o   43.242   1.4704  1916.27  122.480  1774.55  179.947  2038.59  167.182   41.591   2.2288   44.893   1.9184 -3.301395 2.940752 
1 1 1  -13    6    1 o  125.488   0.9530 15286.19  232.130 15202.81  326.293 15371.63  330.306  125.141   1.3432  125.834   1.3522 -0.6927643 1.905973 
1 1 1  -13    6    2 o  159.357   1.1022 24648.97  340.921 24222.33  478.169 25090.06  486.200  157.955   1.5595  160.760   1.5580 -2.804398 2.204412 
1 1 1  -13    6    3 o  119.474   0.9331 13856.76  216.409 13953.54  306.309 13760.31  305.789  119.890   1.3162  119.057   1.3231 0.8331528 1.866267 
1 1 1  -13    6    4 o  216.098   1.3401 45325.78  562.025 44284.04  786.144 46414.82  803.796  213.559   1.8964  218.637   1.8939 -5.077576 2.680117 
1 1 1  -13    6    5 o   16.938   1.2494  257.679   38.595  222.486   46.031  340.973   70.816   15.138   1.5665   18.739   1.9468 -3.600805 2.498780 
1 1 1  -13    6    6 o   92.769   0.7535  8354.25  135.696  8356.84  191.910  8351.66  191.896   92.784   1.0655   92.755   1.0658 0.2874756E-01 1.507050 
1 1 1  -13    6    7 o   59.241   0.5986  3404.88   68.824  3485.89   98.678  3328.14   96.038   59.926   0.8483   58.555   0.8449 1.371670 1.197275 
1 1 1  -13    6    8 o  334.750   1.6698 108840.60  1084.97 109746.60  1543.56 107955.80  1525.36  336.127   2.3657  333.374   2.3571 2.752563 3.339502 
1 1 1  -13    6    9 o  113.966   0.8916 12606.51  197.223 12365.58  276.555 12855.85  281.337  112.858   1.2624  115.074   1.2595 -2.215637 1.783203 
1 1 1  -13    6   10 o   96.882   0.9528  9111.28  171.373  9120.95  288.139  9105.99  213.175   96.917   1.5316   96.848   1.1339 0.6906891E-01 1.905648 
1 1 1  -13    6   11 o   76.820   0.9222  5729.85  137.505  5611.00  193.811  5850.31  195.118   76.018   1.3134   77.622   1.2949 -1.604607 1.844417 
1 1 1  -13    6   12 o  155.907   1.3752 23613.68  416.167 23545.14  590.590 23681.28  586.529  155.681   1.9543  156.132   1.9352 -0.4508362 2.750324 
1 1 1  -13    6   13 o   90.553   1.0378  7962.18  182.407  8009.75  260.182  7916.20  255.799   90.818   1.4758   90.287   1.4595 0.5314026 2.075641 
1 1 1  -13    6   14 o   65.812   0.8642  4207.89  110.357  4094.33  156.936  4318.97  155.215   64.933   1.2451   66.692   1.1989 -1.758743 1.728475 
1 1 1  -13    6   15 o   96.825   1.0656  9106.76  200.267  9005.10  281.698  9210.65  284.767   96.279   1.5073   97.371   1.5066 -1.092674 2.131111 
1 1 1  -13    6   16 o  103.247   1.1398 10358.94  228.414 10242.35  323.666 10474.60  322.391  102.667   1.6240  103.827   1.5996 -1.159264 2.279522 
1 1 1  -13    6   17 o   99.954   1.1317  9709.08  219.520  9396.75  309.206 10026.47  311.704   98.331   1.6199  101.576   1.5808 -3.244522 2.263441 
1 1 1  -13    6   18 o   26.267   1.0082  671.748   51.082  658.060   76.238  682.900   68.812   26.022   1.5093   26.512   1.3371 -0.4902306 2.016357 
1 1 1  -13    6   19 o   65.832   0.9041  4212.84  115.378  4256.76  159.563  4164.71  167.031   66.194   1.2418   65.470   1.3143 0.7233810 1.808150 
1 1 1  -13    6   20 f  136.428   2.1302 17922.48  454.554 18606.76  1014.70 17750.69  508.422  137.791   3.7936  135.064   1.9392 2.727097 4.260492 
1 1 1  -13    6   21 o   51.357   3.4973  2264.02  118.527  3004.30  729.499  2243.95  120.124   54.662   6.8750   48.052   1.2878 6.609707 6.994582 
1 1 1  -13    6   22 o   84.305   2.7364  6821.10  237.517  7202.24  867.961  6790.25  246.943   85.058   5.2568   83.552   1.5226 1.506187 5.472806 
1 1 1  -13    6   23 o   86.510   1.1305  7286.75  189.631  7207.08  273.865  7360.14  262.832   86.049   1.6395   86.970   1.5568 -0.9210587 2.260942 
1 1 1  -13    6   24 o   21.813   1.7840  471.761   73.755  431.442  114.724  500.165   96.290   20.988   2.8159   22.638   2.1912 -1.650194 3.567980 
1 1 1  -13    6   25 o   20.722   2.0849  417.656   83.433  467.557  125.887  378.568  111.417   21.813   2.9731   19.632   2.9237 2.181295 4.169780 
1 1 1  -13    6   26 o   37.054   1.2986  1350.79   92.399  1123.36  130.550  1579.08  130.794   33.886   1.9847   40.221   1.6752 -6.335346 2.597158 
1 1 1  -13    6   27 o   30.122   1.5740  892.216   91.877  826.189  129.064  960.052  130.820   28.979   2.2943   31.264   2.1556 -2.284185 3.148083 
1 1 1  -13    6   28 o   35.723   1.4229  1255.11   98.657  1284.62  140.214  1226.18  138.840   36.142   1.9985   35.304   2.0259 0.8380051 2.845799 
1 1 1  -13    6   29 o   33.777   1.4720  1136.29   95.577  1077.42  143.291  1183.46  128.283   32.931   2.2416   34.623   1.9087 -1.692677 2.944099 
1 1 1  -13    6   30 o   11.069   2.8966  105.035   83.878  161.770  125.090   58.687  113.062   12.464   4.2807   9.6737   3.9034 2.790155 5.793185 
1 1 1  -13    6   31 o   10.999   2.9514   95.217   93.674  -4.2440  137.608  181.107  127.876   9.1205   4.0129   12.877   4.3290 -3.756276 5.902868 
1 1 1  -13    6   32 o   35.103   1.6792  1266.10  112.829  1197.54  171.402  1318.53  149.884   34.095   2.5897   36.110   2.1383 -2.014835 3.358410 
1 1 1  -13    6   33 o   9.2372   2.8778   16.979  100.283   8.3583  147.883   24.318  136.449   9.2541   4.1114   9.2202   4.0278 0.3389931E-01 5.755617 
1 1 1  -13    7    1 o  239.830   1.4180 55845.88  660.074 55343.03  926.119 56365.05  941.030  238.733   1.9984  240.927   2.0121 -2.193481 2.835903 
1 1 1  -13    7    2 o  275.533   1.4945 73721.77  799.323 73552.02  1126.98 73893.59  1133.88  275.214   2.1095  275.851   2.1175 -0.6377258 2.988960 
1 1 1  -13    7    3 o   69.804   0.7735  4773.65  100.486  4889.54  126.204  4572.90  166.091   70.973   0.9160   68.634   1.2466 2.339355 1.547008 
1 1 1  -13    7    4 o  174.805   1.1744 29657.82  398.440 30302.63  569.495 29039.57  557.650  176.665   1.6606  172.944   1.6611 3.721024 2.348803 
1 1 1  -13    7    5 o  207.369   1.2984 41749.33  522.614 42172.04  745.025 41339.82  733.289  208.402   1.8416  206.336   1.8308 2.066025 2.596794 
1 1 1  -13    7    6 o   55.176   0.5757  2954.79   61.658  2926.73   86.642  2983.59   87.765   54.910   0.8128   55.441   0.8155 -0.5308571 1.151415 
1 1 1  -13    7    7 o  383.128   1.7619 142590.20  1310.32 142699.50  1856.70 142481.80  1849.46  383.274   2.4956  382.983   2.4877 0.2915649 3.523708 
1 1 1  -13    7    8 o  143.681   1.0638 20043.74  296.709 20097.03  420.563 19990.92  418.663  143.872   1.5059  143.491   1.5030 0.3802338 2.127636 
1 1 1  -13    7    9 o   47.472   0.5451  2185.47   50.203  2127.59   69.573  2248.35   72.513   46.817   0.7655   48.127   0.7762 -1.310181 1.090191 
1 1 1  -13    7   10 o  166.888   1.3088 27085.58  416.166 26874.95  653.145 27229.54  539.969  166.329   2.0229  167.446   1.6612 -1.117294 2.617599 
1 1 1  -13    7   11 o  128.559   1.2645 16053.04  315.562 15918.84  445.031 16188.74  447.525  128.019   1.7908  129.100   1.7858 -1.081009 2.529038 
1 1 1  -13    7   12 o  126.745   1.2844 15603.69  315.997 15664.37  448.331 15543.79  445.457  126.990   1.8187  126.501   1.8140 0.4894562 2.568748 
1 1 1  -13    7   13 o   81.438   0.9703  6433.86  153.190  6560.22  223.246  6321.42  210.595   82.192   1.3992   80.684   1.3446 1.508263 1.940562 
1 1 1  -13    7   14 f  147.869   1.3769 21247.71  395.177 21165.98  554.703 21331.95  563.123  147.582   1.9363  148.157   1.9580 -0.5754089 2.753706 
1 1 1  -13    7   15 o  145.251   1.3885 20509.82  391.472 20275.78  553.109 20744.75  554.143  144.420   1.9730  146.083   1.9541 -1.662857 2.776917 
1 1 1  -13    7   16 o   27.356   0.9723  728.361   50.278  720.575   80.677  733.305   64.289   27.233   1.5261   27.478   1.2053 -0.2448177 1.944656 
1 1 1  -13    7   17 o   25.738   1.0523  665.206   50.751  536.409   77.793  760.639   66.963   23.492   1.7059   27.984   1.2327 -4.491970 2.104692 
1 1 1  -13    7   18 o   55.349   0.7278  2954.10   73.298  3035.59  129.250  2915.46   88.991   55.902   1.1911   54.796   0.8366 1.105934 1.455545 
1 1 1  -13    7   19 o   58.468   3.1057  3339.73  345.613  3447.85  549.068  3268.77  444.783   59.184   4.7792   57.752   3.9675 1.431892 6.211462 
1 1 1  -13    7   20 o   86.690   2.3174  7268.70  236.599  7447.47  741.458  7248.44  249.650   87.028   4.3890   86.353   1.4893 0.6746979 4.634794 
1 1 1  -13    7   21 o   66.558   2.7268  4530.69  174.631  4140.07  662.438  4559.86  181.035   64.622   5.2808   68.493   1.3616 -3.871475 5.453515 
1 1 1  -13    7   22 o   32.423   5.0195  1178.48  102.559  932.853  672.100  1184.34  103.774   29.952   9.9215   34.894   1.5321 -4.941956 10.03909 
1 1 1  -13    7   23 o   77.185   1.0715  5796.87  160.459  5790.01  230.426  5803.32  223.575   77.137   1.5389   77.232   1.4913 -0.9465790E-01 2.142907 
1 1 1  -13    7   24 o   21.244   1.8920  439.616   77.582  510.185  113.702  378.142  106.124   22.839   2.5646   19.650   2.7822 3.189709 3.783915 
1 1 1  -13    7   25 o   86.649   1.1914  7319.59  200.281  7234.20  287.183  7400.44  279.454   86.150   1.7173   87.148   1.6519 -0.9980316 2.382815 
1 1 1  -13    7   26 o   76.468   1.1476  5710.01  170.185  5603.29  244.773  5809.87  236.781   75.766   1.6643   77.171   1.5806 -1.405434 2.295249 
1 1 1  -13    7   27 o   20.133   2.2402  410.601   82.123  579.929  121.465  268.028  111.457   24.232   2.5823   16.035   3.6613 8.197029 4.480338 
1 1 1  -13    7   28 o   66.499   1.1191  4323.02  144.285  4427.87  210.256  4229.69  198.362   67.250   1.6106   65.747   1.5542 1.502640 2.238238 
1 1 1  -13    7   29 o   24.345   1.8788  599.717   87.945  524.025  126.977  669.504  121.924   22.789   2.8703   25.900   2.4250 -3.111385 3.757604 
1 1 1  -13    7   30 o   34.553   1.4596  1181.89   97.137  1249.63  148.411  1131.12  128.480   35.370   2.1615   33.736   1.9619 1.634678 2.919152 
1 1 1  -13    7   31 o   13.571   2.9729  193.240   96.121  323.723  136.547   65.070  135.331   16.882   4.1871   10.261   4.2213 6.621446 5.945722 
1 1 1  -13    7   32 o   25.480   2.1258  687.576  104.186  626.413  152.708  740.838  142.503   24.251   3.2439   26.710   2.7485 -2.458576 4.251672 
1 1 1  -13    7   33 o   12.220   3.2173  172.696  102.450  150.691  154.908  189.804  136.588   11.825   4.6347   12.615   4.4635 -0.7899027 6.434586 
1 1 1  -13    8    1 o  125.373   0.9343 15263.94  226.969 15335.57  312.066 15183.49  330.710  125.687   1.2791  125.060   1.3623 0.6264343 1.868634 
1 1 1  -13    8    2 o   50.115   0.7566  2435.94   73.568  2373.04  102.114  2503.83  106.080   49.443   1.0639   50.787   1.0760 -1.344181 1.513192 
1 1 1  -13    8    3 f  184.811   1.2250 33160.81  439.470 32933.67  618.622 33392.23  624.427  184.172   1.7304  185.450   1.7346 -1.277603 2.450074 
1 1 1  -13    8    4 o  244.636   1.4252 58116.70  676.776 58356.07  955.841 57876.06  958.375  245.141   2.0086  244.130   2.0223 1.011124 2.850337 
1 1 1  -13    8    5 o  252.591   1.4471 61954.96  709.531 61465.68  998.110 62454.82  1008.83  251.583   2.0438  253.599   2.0493 -2.015869 2.894240 
1 1 1  -13    8    6 o   98.997   0.8086  9513.05  155.373  9455.00  218.148  9572.82  221.348   98.691   1.1387   99.303   1.1483 -0.6128693 1.617151 
1 1 1  -13    8    7 o  235.388   1.4082 53807.57  643.433 53847.79  914.338 53768.11  905.627  235.475   2.0003  235.302   1.9827 0.1731415 2.816448 
1 1 1  -13    8    8 o  344.264   1.6861 115130.70  1126.77 114633.00  1586.61 115637.10  1600.46  343.514   2.3794  345.014   2.3897 -1.499878 3.372245 
1 1 1  -13    8    9 o   67.799   0.6267  4462.19   82.482  4455.82  117.142  4468.46  116.159   67.751   0.8907   67.847   0.8820 -0.9611511E-01 1.253489 
1 1 1  -13    8   10 o  111.963   1.0231 12177.23  214.799 12154.68  352.587 12190.53  270.865  111.874   1.6236  112.052   1.2453 -0.1782150 2.046149 
1 1 1  -13    8   11 o   93.604   1.0509  8501.51  190.784  8665.45  276.713  8352.96  263.397   94.463   1.5091   92.745   1.4630 1.717346 2.101834 
1 1 1  -13    8   12 o  178.168   1.5096 30839.21  522.028 31094.66  745.373 30593.28  731.346  178.891   2.1464  177.445   2.1232 1.446045 3.019144 
1 1 1  -13    8   13 o   31.120   0.8528  957.325   49.044  882.771   81.451  999.729   61.428   30.150   1.3917   32.090   0.9861 -1.939365 1.705648 
1 1 1  -13    8   14 o   62.573   0.8477  3790.84  102.491  3914.89  153.495  3691.04  137.678   63.493   1.2454   61.654   1.1504 1.839561 1.695394 
1 1 1  -13    8   15 o   23.971   1.0038  566.492   45.419  519.742   71.584  597.995   58.762   23.128   1.5944   24.814   1.2199 -1.685524 2.007580 
1 1 1  -13    8   16 o   54.802   0.8365  2915.19   88.601  2933.64  131.741  2899.96  119.722   54.959   1.2349   54.645   1.1286 0.3132668 1.672934 
1 1 1  -13    8   17 o   43.653   0.8162  1845.97   68.095  1877.50  106.464  1824.14   88.585   43.965   1.2475   43.340   1.0529 0.6245155 1.632433 
1 1 1  -13    8   18 o  105.316   1.0548 10767.78  204.921 10816.31  349.569 10742.36  252.939  105.475   1.7073  105.156   1.2391 0.3184357 2.109606 
1 1 1  -13    8   19 o  207.813   1.6113 42160.93  646.724 40860.95  955.511 43259.92  878.540  204.811   2.4033  210.815   2.1468 -6.003189 3.222562 
1 1 1  -13    8   20 o   61.557   3.4571  4216.07  167.660  3235.65  748.519  4267.86  172.031   56.843   6.7836   66.270   1.3373 -9.427235 6.914141 
1 1 1  -13    8   21 o   34.781   4.9585  1343.63   99.012  1106.43  670.414  1348.92  100.110   32.310   9.8198   37.252   1.3844 -4.941978 9.916924 
1 1 1  -13    8   22 o   50.457   3.8978  2115.21  121.621  3042.72  812.080  2093.93  123.008   54.507   7.6751   46.407   1.3655 8.099655 7.795614 
1 1 1  -13    8   23 o   83.176   2.4472  6584.22  235.263  7084.33  760.573  6531.31  247.396   84.430   4.6406   81.922   1.5557 2.508461 4.894463 
1 1 1  -13    8   24 o   99.941   1.2700  9732.09  246.265  9719.86  353.704  9743.61  343.082   99.874   1.8244  100.008   1.7672 -0.1341705 2.540007 
1 1 1  -13    8   25 o   23.352   1.9243  538.396   85.882  514.692  131.978  555.805  113.105   22.879   2.9717   23.825   2.4456 -0.9459667 3.848660 
1 1 1  -13    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13    8   27 o   23.775   1.9898  569.957   90.094  463.304  130.857  666.076  124.226   21.565   3.1259   25.984   2.4628 -4.419146 3.979539 
1 1 1  -13    8   28 o   20.678   2.1445  428.372   82.971  535.630  123.910  341.192  111.712   23.192   2.7523   18.163   3.2895 5.028875 4.289099 
1 1 1  -13    8   29 o   21.931   2.0576  492.206   86.380  424.531  126.417  551.475  118.306   20.410   3.1908   23.451   2.5988 -3.040897 4.115211 
1 1 1  -13    8   30 o   13.415   3.0519  194.405   90.119  215.498  132.892  176.446  122.622   13.983   4.3936   12.848   4.2370 1.134649 6.103704 
1 1 1  -13    8   31 o   10.718   3.0422   73.034   99.181  149.452  145.885   7.3558  135.245   12.219   4.5684   9.2168   4.0186 3.002397 6.084381 
1 1 1  -13    8   32 o   12.263   3.1832  160.834   99.583  190.825  144.949  134.025  137.046   12.965   4.5970   11.561   4.4043 1.403902 6.366326 
1 1 1  -13    8   33 o   9.1466   2.8799   5.6124  102.834   16.598  152.028  -3.6539  139.622   9.4433   4.1833   8.8499   3.9590 0.5933638 5.759705 
1 1 1  -13    9    1 o   34.948   0.6178  1185.16   41.698  1181.83   56.148  1189.25   62.265   34.893   0.8290   35.002   0.9164 -0.1090240 1.235694 
1 1 1  -13    9    2 o  186.206   1.2367 33663.62  447.016 33311.78  629.521 34021.46  634.864  185.224   1.7508  187.187   1.7472 -1.962784 2.473486 
1 1 1  -13    9    3 o  254.248   1.4558 62761.98  718.399 61954.50  1006.74 63599.79  1025.46  252.582   2.0533  255.914   2.0642 -3.331146 2.911537 
1 1 1  -13    9    4 o  291.458   1.5553 82471.46  879.783 80754.00  1230.69 84266.46  1258.16  288.356   2.1986  294.560   2.2004 -6.204224 3.110581 
1 1 1  -13    9    5 o  127.626   0.9770 15813.34  242.048 15875.78  342.322 15750.92  342.292  127.878   1.3790  127.374   1.3844 0.5039978 1.954019 
1 1 1  -13    9    6 o   76.437   0.8136  5685.12  114.580  5714.45  141.508  5629.27  195.249   76.726   0.9501   76.148   1.3209 0.5783310 1.627103 
1 1 1  -13    9    7 o  216.699   1.3387 45600.11  563.132 45278.44  794.487 45924.87  798.304  215.931   1.8954  217.467   1.8911 -1.536194 2.677467 
1 1 1  -13    9    8 o   74.031   0.6649  5319.73   95.551  5248.41  134.444  5392.54  135.825   73.530   0.9419   74.533   0.9388 -1.002823 1.329861 
1 1 1  -13    9    9 o   69.576   0.6350  4699.07   85.761  4670.99  120.953  4727.46  121.619   69.367   0.8983   69.785   0.8978 -0.4180984 1.269993 
1 1 1  -13    9   10 o   80.429   0.8700  6291.44  128.515  6247.56  220.626  6313.97  158.108   80.212   1.4169   80.646   1.0100 -0.4343033 1.740045 
1 1 1  -13    9   11 o   91.723   1.0309  8170.63  183.475  8145.35  263.269  8194.49  255.837   91.585   1.4808   91.862   1.4347 -0.2773209 2.061866 
1 1 1  -13    9   12 o   71.819   0.8880  4999.19  123.525  5134.88  181.819  4882.88  168.341   72.721   1.2880   70.916   1.2229 1.805527 1.776045 
1 1 1  -13    9   13 o   73.107   0.9048  5180.27  128.096  5321.14  188.809  5060.13  174.361   74.025   1.3139   72.189   1.2443 1.836548 1.809607 
1 1 1  -13    9   14 o   67.645   0.8845  4437.07  115.741  4521.54  171.622  4366.60  156.751   68.233   1.2957   67.056   1.2042 1.176544 1.768910 
1 1 1  -13    9   15 o   42.219   0.7693  1729.32   62.355  1741.26   95.683  1720.51   82.209   42.344   1.1641   42.094   1.0061 0.2500343 1.538590 
1 1 1  -13    9   16 o   9.7761   1.9717   96.993   44.718   10.453   72.506  150.120   56.809   7.3529   3.0632   12.199   2.4834 -4.846493 3.943354 
1 1 1  -13    9   17 o  132.413   1.3282 17074.23  339.914 16738.87  502.047 17358.08  461.884  131.199   1.9713  133.627   1.7806 -2.428146 2.656423 
1 1 1  -13    9   18 o  122.046   1.1233 14436.78  252.305 14611.64  433.283 14347.07  310.352  122.574   1.8210  121.517   1.3157 1.057007 2.246556 
1 1 1  -13    9   19 f  140.679   1.3747 19278.41  374.611 18841.85  544.387 19671.07  516.289  139.152   2.0154  142.206   1.8703 -3.054276 2.749495 
1 1 1  -13    9   20 o   33.818   4.5373  1342.55   95.587  961.021  565.471  1353.78   96.982   30.311   8.9753   37.324   1.3386 -7.012085 9.074612 
1 1 1  -13    9   21 o   60.094   3.0646  3889.78  160.353  3194.33  656.796  3933.86  165.357   56.570   5.9811   63.618   1.3390 -7.048546 6.129142 
1 1 1  -13    9   22 o   59.630   3.5793  3606.83  153.618  3450.88  796.156  3612.86  156.560   58.298   7.0352   60.961   1.3230 -2.662815 7.158502 
1 1 1  -13    9   23 o   48.812   4.4638  2488.01  132.273  2390.68  775.639  2490.93  134.239   47.018   8.8224   50.607   1.3665 -3.588886 8.927584 
1 1 1  -13    9   24 o   42.817   1.1474  1777.68   94.593  1841.45  144.318  1729.65  125.249   43.480   1.7099   42.155   1.5306 1.325748 2.294864 
1 1 1  -13    9   25 o   38.571   1.2298  1471.05   90.775  1267.93  133.549  1645.47  123.759   36.043   1.9088   41.099   1.5513 -5.055752 2.459644 
1 1 1  -13    9   26 o   47.046   1.1318  2157.31  103.074  2194.37  152.045  2125.80  140.211   47.411   1.6521   46.681   1.5473 0.7300224 2.263506 
1 1 1  -13    9   27 o   65.489   1.1244  4180.37  142.717  4402.10  209.066  3986.88  195.301   67.106   1.6049   63.872   1.5752 3.234905 2.248775 
1 1 1  -13    9   28 o   11.020   2.7926   85.349   80.067  186.494  123.340   11.682  105.261   13.443   4.2341   8.5963   3.6425 4.846933 5.585274 
1 1 1  -13    9   29 o   25.548   1.8920  686.359   89.022  523.981  138.326  801.164  116.310   22.680   3.1419   28.415   2.1086 -5.735308 3.783913 
1 1 1  -13    9   30 o   37.235   1.3961  1365.54  100.425  1520.23  151.240  1243.55  134.307   39.096   1.9928   35.375   1.9559 3.720490 2.792268 
1 1 1  -13    9   31 o   31.912   1.6989  1029.87  104.709  896.404  144.270  1178.43  152.210   29.674   2.5046   34.150   2.2961 -4.476433 3.397769 
1 1 1  -13    9   32 o   14.386   3.1572  250.191  102.862  153.473  157.727  321.765  135.685   12.203   4.7060   16.568   4.2102 -4.364714 6.314441 
1 1 1  -13    9   33 o   12.933   2.8104  147.840  104.839 -117.5410  150.860  395.714  145.799   7.7978   3.6999   18.068   4.2314 -10.27004 5.620822 
1 1 1  -13   10    1 o  136.199   0.9775 18008.20  257.775 17996.09  352.024 18022.20  378.512  136.151   1.3319  136.247   1.4312 -0.9629822E-01 1.955065 
1 1 1  -13   10    2 o   88.012   0.8574  7517.73  142.727  7528.97  229.351  7510.63  182.335   88.064   1.3416   87.961   1.0679 0.1035156 1.714740 
1 1 1  -13   10    3 o  165.606   1.1465 26627.93  368.564 26632.54  520.230 26623.28  522.232  165.621   1.6181  165.592   1.6247 0.2905273E-01 2.293003 
1 1 1  -13   10    4 o  161.979   1.1370 25473.80  357.484 25429.00  503.463 25519.36  507.682  161.835   1.6026  162.122   1.6132 -0.2869415 2.273925 
1 1 1  -13   10    5 o  163.572   1.1325 25971.87  359.540 26481.81  512.823 25478.89  504.218  165.151   1.5996  161.993   1.6035 3.157654 2.264928 
1 1 1  -13   10    6 o  196.274   1.2827 37405.91  488.678 37539.43  696.238 37276.25  686.064  196.618   1.8242  195.929   1.8039 0.6894226 2.565448 
1 1 1  -13   10    7 o   29.046   0.6299  819.531   35.482  857.392   50.081  781.372   50.277   29.720   0.8681   28.372   0.9129 1.348295 1.259736 
1 1 1  -13   10    8 o  267.182   1.4931 69340.94  774.403 69289.72  1094.47 69392.29  1095.88  267.083   2.1110  267.281   2.1122 -0.1974792 2.986239 
1 1 1  -13   10    9 o  117.637   0.9135 13436.15  208.599 13413.02  294.774 13459.36  295.235  117.536   1.2920  117.739   1.2918 -0.2028732 1.826979 
1 1 1  -13   10   10 o   97.444   0.9485  9163.46  170.375  9399.33  292.556  9042.41  209.582   98.381   1.5319   96.507   1.1187 1.873604 1.896920 
1 1 1  -13   10   11 o  181.268   1.4687 31924.66  516.784 32047.46  730.771 31801.80  730.916  181.617   2.0728  180.919   2.0812 0.6981812 2.937349 
1 1 1  -13   10   12 o  106.075   1.1200 10927.54  230.626 10857.26  325.567 10998.35  326.746  105.733   1.5862  106.418   1.5817 -0.6849670 2.240085 
1 1 1  -13   10   13 o   72.420   0.9107  5094.70  127.721  5066.49  186.971  5119.38  174.883   72.231   1.3335   72.609   1.2408 -0.3785477 1.821455 
1 1 1  -13   10   14 o   37.169   0.7813  1306.31   54.386  1472.46   91.889  1216.72   67.474   38.939   1.2157   35.400   0.9819 3.539265 1.562686 
1 1 1  -13   10   15 f   91.957   1.0570  8215.28  188.641  8000.94  265.913  8432.44  267.654   90.749   1.5095   93.166   1.4800 -2.416733 2.113972 
1 1 1  -13   10   16 o  103.428   1.1754 10398.12  235.937 10276.31  335.728 10516.98  331.639  102.827   1.6820  104.028   1.6423 -1.200386 2.350763 
1 1 1  -13   10   17 o   70.074   0.8028  4762.60  102.028  4787.21  180.068  4750.96  123.822   70.199   1.3214   69.949   0.9119 0.2503052 1.605522 
1 1 1  -13   10   18 o   21.666   1.1804  462.141   41.979  445.529   86.118  467.318   48.078   21.397   2.0733   21.934   1.1292 -0.5370560 2.360885 
1 1 1  -13   10   19 o   15.890   1.9314  253.585   57.456  221.128   84.537  281.447   78.327   14.782   3.0474   16.998   2.3738 -2.215904 3.862817 
1 1 1  -13   10   20 o   36.311   5.0456  1810.42  105.534  835.959  684.109  1834.18  106.813   29.176   10.011   43.447   1.2665 -14.27096 10.09111 
1 1 1  -13   10   21 o   16.084   4.7506  124.919   81.130   83.477  624.695  125.630   81.822   20.873   8.8605   11.295   3.4301 9.577366 9.501266 
1 1 1  -13   10   22 o   86.202   3.0122  6939.76  242.468  7798.12  998.352  6885.95  249.952   88.264   5.8268   84.139   1.5304 4.125687 6.024451 
1 1 1  -13   10   23 o   42.303   6.5693  2165.83  127.535  1590.09  1167.62  2172.78  128.303   37.345   13.064   47.262   1.3985 -9.916725 13.13861 
1 1 1  -13   10   24 o   52.931   1.0687  2727.95  109.002  2719.12  164.289  2734.89  145.685   52.845   1.6015   53.017   1.4156 -0.1713829 2.137474 
1 1 1  -13   10   25 o   24.186   1.7976  566.447   83.773  633.689  128.367  516.565  110.562   25.415   2.6020   22.957   2.4809 2.457458 3.595167 
1 1 1  -13   10   26 o   17.022   2.6425  294.173   84.338  352.068  130.229  252.351  110.685   18.453   3.7632   15.592   3.7106 2.860286 5.284910 
1 1 1  -13   10   27 o   27.808   1.6454  760.750   87.806  771.354  135.108  752.995  115.532   27.945   2.4907   27.671   2.1508 0.2732677 3.290824 
1 1 1  -13   10   28 o   10.312   2.8033   70.207   82.979  -2.3465  124.563  128.091  111.261   9.0128   3.8933   11.612   4.0343 -2.599112 5.606552 
1 1 1  -13   10   29 o   20.970   2.1077  446.226   84.924  446.560  129.455  445.975  112.520   20.910   3.1893   21.029   2.7564 -0.1188259 4.215347 
1 1 1  -13   10   30 o   20.660   2.4533  452.598   95.644  420.762  138.819  481.368  131.963   19.709   3.7657   21.611   3.1456 -1.902182 4.906647 
1 1 1  -13   10   31 f   27.765   1.9366  789.753  103.721  820.293  156.767  765.974  138.326   28.166   2.8672   27.365   2.6040 0.8011627 3.873240 
1 1 1  -13   10   32 o   11.609   3.1515  127.742  100.832  188.675  149.986   77.491  136.206   12.895   4.6641   10.323   4.2395 2.572017 6.302938 
1 1 1  -13   10   33 o   14.188   3.1668  236.040  110.938   74.593  154.962  405.784  158.894   10.378   4.4095   17.998   4.5465 -7.620098 6.333606 
1 1 1  -13   11    1 o  308.471   1.4953 92349.49  884.516 92016.98  1162.77 92806.16  1362.66  307.826   1.9459  309.115   2.2709 -1.288727 2.990598 
1 1 1  -13   11    2 o  120.525   0.9163 14096.22  213.985 14006.86  293.425 14197.74  312.739  120.118   1.2584  120.932   1.3322 -0.8141403 1.832602 
1 1 1  -13   11    3 o   67.706   0.6336  4444.04   83.159  4347.52  114.167  4553.12  121.373   66.924   0.8788   68.488   0.9129 -1.563904 1.267191 
1 1 1  -13   11    4 o  253.137   1.4570 62229.16  715.927 62090.13  1011.48 62368.75  1013.47  252.853   2.0607  253.420   2.0602 -0.5667267 2.913929 
1 1 1  -13   11    5 o  197.953   1.2821 38050.46  492.675 38105.13  697.619 37996.07  695.880  198.095   1.8142  197.812   1.8122 0.2835693 2.564266 
1 1 1  -13   11    6 o   67.203   0.6235  4383.96   81.331  4413.29  114.976  4354.58  115.063   67.428   0.8784   66.978   0.8850 0.4500427 1.246930 
1 1 1  -13   11    7 o  165.158   1.1527 26481.80  369.487 26258.27  516.691 26715.72  528.579  164.445   1.6186  165.870   1.6416 -1.425217 2.305400 
1 1 1  -13   11    8 o  130.945   1.0013 16646.93  254.512 16486.30  357.699 16811.64  362.214  130.305   1.4141  131.585   1.4181 -1.279297 2.002667 
1 1 1  -13   11    9 o  141.013   1.0585 19308.64  289.742 19221.09  407.774 19397.93  411.770  140.690   1.4931  141.336   1.5008 -0.6453552 2.117051 
1 1 1  -13   11   10 o   30.050   1.0280  875.487   59.919  838.271   82.834  916.333   86.780   29.381   1.4524   30.718   1.4553 -1.337549 2.056032 
1 1 1  -13   11   11 o  104.743   1.1286 10652.89  229.356 10714.20  330.056 10595.63  318.947  105.034   1.6188  104.453   1.5730 0.5809860 2.257192 
1 1 1  -13   11   12 o  107.022   1.1595 11114.01  240.758 11468.64  347.228 10785.66  334.116  108.665   1.6461  105.380   1.6333 3.284660 2.318936 
1 1 1  -13   11   13 o   47.874   0.7768  2234.50   70.810  2177.13  110.837  2274.05   92.042   47.351   1.2059   48.397   0.9797 -1.046280 1.553685 
1 1 1  -13   11   14 o   86.674   0.9978  7294.50  167.760  7363.35  242.344  7231.15  232.460   87.065   1.4339   86.282   1.3879 0.7828827 1.995594 
1 1 1  -13   11   15 o   37.142   0.8019  1353.91   56.051  1279.49   89.858  1401.30   71.712   36.295   1.2754   37.989   0.9724 -1.693916 1.603828 
1 1 1  -13   11   16 o   15.123   1.5605  210.630   44.467  276.435   74.625  174.401   55.371   16.855   2.2808   13.390   2.1303 3.465149 3.120932 
1 1 1  -13   11   17 o   54.058   0.7252  2840.53   70.780  2830.70  125.741  2845.10   85.636   53.984   1.1999   54.132   0.8150 -0.1480713 1.450488 
1 1 1  -13   11   18 o   35.475   0.7738  1213.58   48.146  1242.82   90.587  1202.07   56.839   35.765   1.3048   35.185   0.8322 0.5803375 1.547578 
1 1 1  -13   11   19 o   19.850   5.5189  241.807  316.250 -36.6232  535.743  390.715  391.794   18.587   8.0516   21.113   7.5501 -2.526159 11.03774 
1 1 1  -13   11   20 o   84.942   2.6023  7554.51  242.987  6495.33  785.214  7666.67  255.530   81.078   4.9891   88.806   1.4823 -7.727386 5.204605 
1 1 1  -13   11   21 o   28.407   4.9023  798.089   91.390  787.703  637.294  798.307   92.344   28.168   9.6629   28.646   1.6607 -0.4775181 9.804526 
1 1 1  -13   11   22 o   76.661   2.9924  6412.07  228.540  5101.40  803.037  6527.59  238.399   71.398   5.7941   81.923   1.4991 -10.52516 5.984849 
1 1 1  -13   11   23 f   51.655   1.3377  2594.92  134.133   0.0000   0.0000  2594.92  134.133  ?   ?    51.655   1.3377      ?      ? 
1 1 1  -13   11   24 o   13.328   2.5664  187.303   71.852   97.141  112.343  249.714   93.468   10.991   4.0272   15.665   3.1824 -4.673496 5.132814 
1 1 1  -13   11   25 o   34.390   1.2886  1150.42   85.201  1181.74  130.575  1127.20  112.435   34.785   1.9338   33.996   1.7038 0.7884979 2.577256 
1 1 1  -13   11   26 o   87.749   1.2394  7523.35  211.037  7563.13  302.959  7485.84  294.138   87.967   1.7742   87.531   1.7311 0.4360428 2.478817 
1 1 1  -13   11   27 o   16.462   2.6733  280.884   83.369  322.530  125.489  247.980  111.543   17.551   3.7940   15.372   3.7673 2.178195 5.346671 
1 1 1  -13   11   28 o   35.577   1.3688  1261.52   92.045  1169.53  144.805  1323.88  119.233   34.412   2.1677   36.741   1.6718 -2.329048 2.737508 
1 1 1  -13   11   29 o   14.530   2.8677  236.076   87.188  152.445  134.425  296.807  114.552   12.431   4.4249   16.628   3.6491 -4.196820 5.735466 
1 1 1  -13   11   30 o   33.742   1.5366  1136.09  100.432  1166.52  147.629  1109.88  137.028   34.137   2.2278   33.347   2.1168 0.7898369 3.073111 
1 1 1  -13   11   31 o   30.098   1.7194  920.351   99.723  930.967  150.592  912.060  133.084   30.171   2.5712   30.026   2.2833 0.1458149 3.438739 
1 1 1  -13   11   32 o   10.705   3.1025   87.677  103.697   54.836  152.233  116.105  141.639   10.230   4.3592   11.179   4.4159 -0.9489565 6.205065 
1 1 1  -13   11   33 o   17.318   3.3377  383.081  115.250  411.964  167.592  357.168  158.745   17.938   4.7412   16.698   4.6992 1.240360 6.675447 
1 1 1  -13   12    1 o  103.357   0.8325 10365.73  166.858 10270.17  230.254 10471.40  242.140  102.856   1.1532  103.858   1.2010 -1.001953 1.665060 
1 1 1  -13   12    2 o   27.050   0.7052  710.482   37.017  728.895   52.241  691.915   52.458   27.402   0.9821   26.698   1.0122 0.7042751 1.410362 
1 1 1  -13   12    3 o   21.683   0.8210  445.131   33.861  404.079   43.027  511.914   54.879   20.402   1.0864   22.963   1.2311 -2.560987 1.641952 
1 1 1  -13   12    4 o   60.497   0.6028  3552.84   70.784  3600.84  100.004  3504.64  100.204   60.906   0.8458   60.087   0.8591 0.8191757 1.205602 
1 1 1  -13   12    5 o   93.698   0.7809  8519.32  141.997  8380.76  198.117  8665.69  203.624   92.915   1.0984   94.481   1.1102 -1.566086 1.561792 
1 1 1  -13   12    6 o  114.804   0.8901 12795.32  198.332 12780.18  278.382 12810.93  282.634  114.735   1.2499  114.873   1.2675 -0.1375504 1.780109 
1 1 1  -13   12    7 o   64.843   0.6102  4076.32   76.757  3929.43  106.287  4236.43  110.965   63.624   0.8606   66.062   0.8653 -2.438625 1.220397 
1 1 1  -13   12    8 o  278.210   1.5414 75190.14  832.366 75824.66  1185.75 74573.71  1168.72  279.366   2.1865  277.054   2.1731 2.312408 3.082740 
1 1 1  -13   12    9 o   59.475   0.5973  3433.66   68.942  3424.81   96.540  3442.88   98.488   59.397   0.8373   59.553   0.8519 -0.1563339 1.194514 
1 1 1  -13   12   10 o  146.129   1.2098 20750.76  335.024 20691.10  534.867 20789.28  429.780  145.945   1.8880  146.313   1.5132 -0.3681946 2.419538 
1 1 1  -13   12   11 o   96.843   1.0557  9105.31  198.389  9187.55  284.692  9027.67  276.612   97.267   1.5078   96.418   1.4779 0.8489990 2.111322 
1 1 1  -13   12   12 o  113.328   1.1650 12473.81  256.274 12313.42  360.841 12637.05  364.033  112.593   1.6510  114.064   1.6441 -1.470337 2.329968 
1 1 1  -13   12   13 o  104.983   1.1473 10704.96  233.788 10516.57  328.282 10898.83  333.020  104.046   1.6254  105.920   1.6197 -1.874405 2.294602 
1 1 1  -13   12   14 o   69.708   0.8851  4719.55  119.592  4713.62  173.787  4724.88  164.826   69.665   1.2851   69.750   1.2173 -0.8554840E-01 1.770147 
1 1 1  -13   12   15 o   55.421   0.8122  2966.23   86.317  3086.53  134.036  2880.99  112.827   56.374   1.2248   54.468   1.0671 1.905064 1.624480 
1 1 1  -13   12   16 o   92.857   0.9423  8354.48  159.248  8438.43  279.545  8314.14  193.762   93.188   1.5454   92.527   1.0788 0.6610489 1.884651 
1 1 1  -13   12   17 o  104.237   1.0186 10576.51  195.764 10497.95  333.333 10617.87  241.870  103.923   1.6524  104.552   1.1918 -0.6293869 2.037291 
1 1 1  -13   12   18 o   52.470   0.8483  2673.08   86.377  2585.50  120.705  2765.00  123.661   51.590   1.2053   53.351   1.1941 -1.761185 1.696629 
1 1 1  -13   12   19 o   59.915   0.8994  3488.71  104.455  3473.25  151.711  3502.65  144.030   59.787   1.3072   60.043   1.2357 -0.2560463 1.798849 
1 1 1  -13   12   20 o   61.665   2.6901  3397.09  137.130  4118.48  655.757  3364.10  140.231   64.490   5.2382   58.840   1.2277 5.649773 5.380184 
1 1 1  -13   12   21 o   39.934   4.7645  1889.49  107.900  1374.24  663.506  1903.49  109.356   35.614   9.4437   44.254   1.2730 -8.639816 9.529094 
1 1 1  -13   12   22 o   23.536   2.0971  539.870   95.811   0.0000   0.0000  539.870   95.811  ?   ?    23.536   2.0971      ?      ? 
1 1 1  -13   12   23 o   16.491   3.1058  275.308   95.778   0.0000   0.0000  275.308   95.778  ?   ?    16.491   3.1058      ?      ? 
1 1 1  -13   12   24 o   63.932   1.4281  3977.53  177.227   0.0000   0.0000  3977.53  177.227  ?   ?    63.932   1.4281      ?      ? 
1 1 1  -13   12   25 o   18.027   2.4190  330.231   81.117  348.076  122.399  316.255  108.321   18.441   3.5480   17.614   3.2890 0.8269520 4.837981 
1 1 1  -13   12   26 o   32.951   1.4133  1076.97   88.939  972.377  134.397  1158.46  118.631   31.477   2.1995   34.424   1.7753 -2.946098 2.826589 
1 1 1  -13   12   27 o   54.627   1.1158  2917.53  117.915  2926.28  174.201  2910.13  160.192   54.686   1.6410   54.568   1.5123 0.1178474 2.231575 
1 1 1  -13   12   28 o   13.743   2.8585  187.879   81.885  269.616  128.793  132.421  106.088   15.855   4.1400   11.631   3.9428 4.223503 5.717089 
1 1 1  -13   12   29 o   26.728   1.7424  705.084   89.656  837.843  136.533  604.441  118.878   28.916   2.4324   24.540   2.4955 4.375956 3.484811 
1 1 1  -13   12   30 o   21.072   2.1984  449.889   89.025  516.055  138.361  403.145  116.295   22.338   3.1908   19.806   3.0249 2.532648 4.396705 
1 1 1  -13   12   31 o   25.618   2.0191  678.676   99.823  693.063  149.925  667.219  133.790   25.779   2.9960   25.456   2.7075 0.3229465 4.038113 
1 1 1  -13   12   32 o   27.646   2.0260  805.659  108.299  759.285  156.727  848.038  149.823   26.768   3.0162   28.524   2.7058 -1.756254 4.052015 
1 1 1  -13   13    1 o  183.759   1.1838 32751.59  419.735 32463.82  562.331 33113.62  630.730  182.853   1.5843  184.665   1.7595 -1.812881 2.367649 
1 1 1  -13   13    2 o  171.503   1.1313 28516.65  374.630 28160.42  502.977 28960.52  561.446  170.305   1.5214  172.702   1.6747 -2.396255 2.262636 
1 1 1  -13   13    3 o  242.375   1.3444 56926.63  626.421 56194.52  827.669 57908.34  958.434  240.563   1.7724  244.187   2.0220 -3.623810 2.688822 
1 1 1  -13   13    4 o  224.448   1.3086 48880.30  566.043 48590.07  755.306 49252.15  854.929  223.695   1.7394  225.201   1.9557 -1.505280 2.617283 
1 1 1  -13   13    5 o   18.914   0.8453  345.842   30.903  303.191   42.349  394.424   45.198   17.672   1.2345   20.157   1.1551 -2.484543 1.690663 
1 1 1  -13   13    6 o   42.806   0.5457  1778.60   45.340  1784.76   64.421  1772.56   63.824   42.879   0.7740   42.733   0.7694 0.1468124 1.091328 
1 1 1  -13   13    7 o  124.531   0.9464 15056.83  228.789 15011.18  322.728 15102.95  324.390  124.341   1.3371  124.720   1.3399 -0.3793869 1.892895 
1 1 1  -13   13    8 o  112.902   0.8816 12374.50  193.198 12481.43  275.816 12271.50  270.703  113.381   1.2532  112.424   1.2404 0.9571686 1.763270 
1 1 1  -13   13    9 o  150.926   1.1791 22032.72  342.802 21427.91  454.638 22829.66  521.880  148.540   1.5767  153.311   1.7536 -4.770844 2.358217 
1 1 1  -13   13   10 o  118.059   1.0788 13574.33  239.096 13381.81  390.147 13690.12  302.573  117.378   1.7123  118.740   1.3127 -1.361542 2.157568 
1 1 1  -13   13   11 o   60.835   0.7951  3580.50   93.493  3724.33  139.901  3464.42  125.678   61.935   1.1636   59.736   1.0838 2.198864 1.590203 
1 1 1  -13   13   12 o   42.990   0.7237  1796.68   59.567  1779.78   91.963  1808.90   78.185   42.814   1.1065   43.165   0.9331 -0.3510056 1.447426 
1 1 1  -13   13   13 o   70.473   0.8864  4808.96  120.718  4967.60  180.586  4680.81  162.315   71.519   1.3008   69.427   1.2044 2.092209 1.772707 
1 1 1  -13   13   14 f   33.101   0.7897  1068.08   48.726  1049.29   80.789  1078.82   61.088   32.869   1.2662   33.333   0.9441 -0.4642563 1.579426 
1 1 1  -13   13   15 o   19.223   1.3774  394.692   43.610  290.292   82.278  435.480   51.428   17.271   2.4542   21.174   1.2512 -3.903835 2.754740 
1 1 1  -13   13   16 o  113.131   1.0805 12548.98  225.542 12068.01  380.247 12810.04  280.143  111.422   1.7580  114.839   1.2567 -3.416824 2.161005 
1 1 1  -13   13   17 o  104.096   1.0471 10653.00  200.972 10131.61  338.290 10937.38  249.839  102.084   1.7071  106.109   1.2129 -4.025932 2.094170 
1 1 1  -13   13   18 o  103.264   1.0199 10392.07  192.930 10275.48  332.536 10451.22  236.873  102.804   1.6663  103.724   1.1764 -0.9199753 2.039775 
1 1 1  -13   13   19 o   50.989   0.9079  2528.96   89.230  2502.77  134.007  2549.82  119.600   50.748   1.3603   51.230   1.2026 -0.4818192 1.815719 
1 1 1  -13   13   20 o   52.274   0.8558  2655.97   86.810  2704.44  121.998  2606.25  123.552   52.758   1.1912   51.790   1.2290 0.9683609 1.711560 
1 1 1  -13   13   21 o   67.891   3.0857  4097.25  161.966  5079.00  832.943  4058.67  165.118   71.167   6.0294   64.615   1.3164 6.552361 6.171406 
1 1 1  -13   13   22 o   70.836   1.4009  4879.71  192.635   0.0000   0.0000  4879.71  192.635  ?   ?    70.836   1.4009      ?      ? 
1 1 1  -13   13   23 o   78.827   1.5552  6047.21  237.965   0.0000   0.0000  6047.21  237.965  ?   ?    78.827   1.5552      ?      ? 
1 1 1  -13   13   24 o   40.899   1.5204  1628.51  120.711   0.0000   0.0000  1628.51  120.711  ?   ?    40.899   1.5204      ?      ? 
1 1 1  -13   13   25 o   11.689   2.8531  114.766   76.446  169.828  128.578   84.660   95.075   13.219   4.3377   10.158   3.7074 3.060285 5.706154 
1 1 1  -13   13   26 o   15.717   2.7514  260.743   82.886  234.374  129.747  278.924  107.735   15.009   4.2569   16.424   3.4870 -1.414312 5.502784 
1 1 1  -13   13   27 o   20.484   2.1499  410.602   84.300  469.432  133.382  371.472  108.782   21.656   3.1729   19.312   2.9018 2.343519 4.299751 
1 1 1  -13   13   28 o   19.884   2.3330  407.755   85.376  399.730  136.554  412.905  109.394   19.459   3.7510   20.308   2.7750 -0.8486462 4.665923 
1 1 1  -13   13   29 o   16.378   2.7472  292.593   84.506  289.331  135.764  294.655  107.973   16.154   4.2662   16.602   3.4624 -0.4482574 5.494451 
1 1 1  -13   13   30 o   19.432   2.5547  438.729   91.346  208.874  133.904  638.797  124.927   13.751   4.4204   25.113   2.5626 -11.36215 5.109496 
1 1 1  -13   13   31 o   7.9670   2.5989 -83.7141   96.552 -182.3757  148.223 -10.9921  127.255   7.3070   3.5202   8.6269   3.8242 -1.319862 5.197757 
1 1 1  -13   13   32 o   16.928   3.0180  341.672   98.993  336.024  145.894  346.492  134.762   16.674   4.4316   17.182   4.0980 -0.5079060 6.035928 
1 1 1  -13   14    1 o  105.269   0.8346 10760.06  170.376 10800.71  235.828 10715.69  246.416  105.478   1.1518  105.061   1.2083 0.4170837 1.669281 
1 1 1  -13   14    2 o  128.236   0.9573 15970.75  237.755 16043.71  325.816 15887.65  347.726  128.551   1.3057  127.922   1.4003 0.6293716 1.914590 
1 1 1  -13   14    3 o   99.832   0.8055  9679.69  155.990  9807.84  217.398  9543.70  223.953  100.514   1.1142   99.150   1.1636 1.363640 1.611018 
1 1 1  -13   14    4 o   32.780   0.8285  1090.53   46.479  941.204   86.913  1150.33   55.004   31.135   1.4380   34.425   0.8231 -3.289631 1.656941 
1 1 1  -13   14    5 o   68.251   0.6308  4520.84   83.561  4609.55  119.154  4434.98  117.217   68.910   0.8908   67.592   0.8934 1.317497 1.261567 
1 1 1  -13   14    6 o  161.654   1.1375 25374.16  356.945 25187.32  501.892 25565.38  507.752  161.052   1.6054  162.256   1.6121 -1.203857 2.275091 
1 1 1  -13   14    7 o   92.248   0.7723  8256.85  138.257  8078.57  192.559  8446.55  198.631   91.221   1.0874   93.275   1.0970 -2.054199 1.544661 
1 1 1  -13   14    8 o  159.935   1.1266 24840.97  349.747 24913.02  496.439 24769.96  492.815  160.165   1.5967  159.705   1.5896 0.4600983 2.253119 
1 1 1  -13   14    9 o  112.499   0.9029 12282.52  197.112 12056.80  274.551 12522.63  283.165  111.433   1.2692  113.565   1.2845 -2.131790 1.805789 
1 1 1  -13   14   10 o   74.521   0.8098  5401.62  110.983  5360.85  189.989  5422.74  136.740   74.304   1.3172   74.739   0.9425 -0.4351959 1.619672 
1 1 1  -13   14   11 o  165.491   1.4468 26610.32  464.787 26524.97  656.563 26696.05  658.055  165.225   2.0471  165.757   2.0451 -0.5321350 2.893641 
1 1 1  -13   14   12 o  117.310   1.2017 13368.70  273.641 13408.71  388.155 13329.17  385.829  117.484   1.7020  117.135   1.6968 0.3486328 2.403353 
1 1 1  -13   14   13 o   55.052   0.7955  2928.13   83.788  3028.88  130.992  2858.36  109.004   55.847   1.2083   54.256   1.0350 1.590748 1.590961 
1 1 1  -13   14   14 o   77.965   0.9498  5904.95  143.443  5894.15  209.600  5914.47  196.729   77.896   1.3861   78.034   1.2987 -0.1380539 1.899500 
1 1 1  -13   14   15 o   60.646   0.7477  3533.91   79.765  3660.81  149.762  3483.66   94.245   61.392   1.2567   59.901   0.8105 1.490826 1.495389 
1 1 1  -13   14   16 o   67.305   0.7992  4412.62   95.855  4366.51  174.027  4432.70  114.846   67.044   1.3372   67.567   0.8756 -0.5233002 1.598373 
1 1 1  -13   14   17 o   90.144   0.9471  7955.66  156.196  7713.38  268.551  8079.51  192.014   89.082   1.5530   91.206   1.0845 -2.123444 1.894210 
1 1 1  -13   14   18 o   89.950   0.9535  7833.27  155.925  7944.04  274.559  7780.53  189.439   90.400   1.5646   89.500   1.0904 0.8998871 1.907059 
1 1 1  -13   14   19 o   48.926   0.8807  2342.61   82.783  2190.58  123.954  2465.02  111.223   47.478   1.3449   50.373   1.1374 -2.895161 1.761431 
1 1 1  -13   14   20 o   59.143   0.8877  3401.77  101.798  3213.69  143.990  3589.72  143.939   57.505   1.2899   60.780   1.2200 -3.275356 1.775451 
1 1 1  -13   14   21 o   93.166   1.5560  8443.62  281.396   0.0000   0.0000  8443.62  281.396  ?   ?    93.166   1.5560      ?      ? 
1 1 1  -13   14   22 o   27.457   1.7679  734.149   94.226   0.0000   0.0000  734.149   94.226  ?   ?    27.457   1.7679      ?      ? 
1 1 1  -13   14   23 o   46.195   1.4025  2075.85  125.766   0.0000   0.0000  2075.85  125.766  ?   ?    46.195   1.4025      ?      ? 
1 1 1  -13   14   24 o   64.787   1.4221  4085.23  178.842   0.0000   0.0000  4085.23  178.842  ?   ?    64.787   1.4221      ?      ? 
1 1 1  -13   14   25 o   11.009   2.7721   97.555   79.965   12.118  121.865  162.155  105.968   9.3019   3.9291   12.716   3.9116 -3.413999 5.544228 
1 1 1  -13   14   26 o   30.293   1.4857  896.992   86.769  928.761  131.501  872.495  115.475   30.750   2.2031   29.836   1.9938 0.9139404 2.971325 
1 1 1  -13   14   27 o   31.933   1.4695  1010.94   89.712  955.252  137.201  1052.53  118.571   31.117   2.2714   32.749   1.8651 -1.632475 2.939057 
1 1 1  -13   14   28 o   19.473   2.3962  410.048   82.621  335.128  137.203  452.672  103.489   17.636   4.0875   21.309   2.5019 -3.672136 4.792398 
1 1 1  -13   14   29 o   22.559   2.0556  505.991   88.767  599.202  140.540  444.125  114.497   24.214   2.9900   20.904   2.8216 3.309902 4.111171 
1 1 1  -13   14   30 o   17.206   2.8333  324.974   92.216  368.596  141.367  292.664  121.665   18.168   4.1051   16.244   3.9063 1.923971 5.666678 
1 1 1  -13   14   31 o   19.933   2.4795  424.351   91.903  468.005  147.463  396.626  117.517   20.453   3.8557   19.413   3.1185 1.039711 4.958939 
1 1 1  -13   14   32 o   20.162   2.5089  441.073   94.525  583.957  145.098  335.724  124.590   23.284   3.2103   17.040   3.8565 6.243397 5.017812 
1 1 1  -13   15    1 o  173.414   1.1529 29146.16  385.996 28687.65  517.678 29720.24  579.261  171.885   1.5515  174.943   1.7057 -3.058258 2.305812 
1 1 1  -13   15    2 o  197.229   1.2329 37814.05  469.197 38139.77  631.406 37412.39  701.149  198.184   1.6412  196.273   1.8403 1.910782 2.465831 
1 1 1  -13   15    3 o  158.378   1.0795 24303.11  330.359 23832.02  444.395 24885.03  493.917  156.668   1.4612  160.087   1.5894 -3.418274 2.159034 
1 1 1  -13   15    4 o  254.457   1.3807 62865.27  675.829 62721.88  896.900 63053.64  1027.99  254.133   1.8181  254.781   2.0785 -0.6477051 2.761479 
1 1 1  -13   15    5 o  125.688   0.9502 15325.13  231.182 15169.63  314.509 15507.91  340.974  124.997   1.2962  126.380   1.3899 -1.382919 1.900496 
1 1 1  -13   15    6 o  127.961   0.9768 15898.96  242.610 15890.11  344.901 15907.64  341.332  127.926   1.3889  127.997   1.3738 -0.7109070E-01 1.953533 
1 1 1  -13   15    7 o  224.335   1.3756 48888.32  599.019 48792.39  848.625 48983.57  845.663  224.115   1.9507  224.554   1.9400 -0.4396973 2.751147 
1 1 1  -13   15    8 o   85.468   0.7366  7089.74  122.190  6997.94  170.753  7186.09  174.928   84.901   1.0361   86.034   1.0474 -1.133575 1.473276 
1 1 1  -13   15    9 o   63.474   0.7666  3908.52   87.760  3919.73  156.443  3903.38  106.010   63.537   1.2684   63.411   0.8612 0.1261292 1.533173 
1 1 1  -13   15   10 o  146.099   1.2403 20713.72  342.434 20814.48  552.037 20650.70  436.579  146.375   1.9428  145.823   1.5423 0.5525818 2.480587 
1 1 1  -13   15   11 o   42.171   0.7772  1766.82   60.547  1588.43   99.847  1870.58   76.145   40.445   1.2718   43.896   0.8936 -3.450344 1.554322 
1 1 1  -13   15   12 o   51.640   0.7489  2585.14   74.328  2618.43  113.708  2560.31   98.216   51.929   1.1280   51.352   0.9853 0.5769310 1.497735 
1 1 1  -13   15   13 o  114.044   1.2105 12633.31  267.897 12837.57  384.671 12440.94  373.313  114.938   1.7241  113.150   1.6996 1.787544 2.420994 
1 1 1  -13   15   14 o   59.447   0.8127  3440.44   93.436  3318.36  136.734  3547.38  127.977   58.453   1.2050   60.440   1.0908 -1.986855 1.625409 
1 1 1  -13   15   15 o   47.500   0.7275  2281.70   58.624  2002.53  111.663  2387.93   68.881   45.405   1.2669   49.595   0.7155 -4.190357 1.454974 
1 1 1  -13   15   16 o   41.613   0.8250  1696.41   62.900  1637.43  107.719  1726.92   77.481   41.054   1.3517   42.171   0.9465 -1.116966 1.650096 
1 1 1  -13   15   17 o   37.080   0.8181  1357.96   48.335  1296.44  103.143  1375.28   54.715   36.524   1.4548   37.636   0.7489 -1.111927 1.636227 
1 1 1  -13   15   18 o   44.954   0.7575  1940.91   57.343  2007.00  115.328  1919.21   66.091   45.448   1.3072   44.459   0.7658 0.9892654 1.515023 
1 1 1  -13   15   19 o   46.823   0.8479  2131.25   76.908  2110.86  112.128  2149.38  105.687   46.610   1.2393   47.036   1.1575 -0.4265862 1.695770 
1 1 1  -13   15   20 o   44.849   6.3328  2289.42  432.830  1799.47  957.966  2415.10  485.176   40.317   11.610   49.381   5.0614 -9.063839 12.66554 
1 1 1  -13   15   21 o   41.458   1.3218  1670.92  106.371   0.0000   0.0000  1670.92  106.371  ?   ?    41.458   1.3218      ?      ? 
1 1 1  -13   15   22 o   41.009   1.3595  1635.63  108.219   0.0000   0.0000  1635.63  108.219  ?   ?    41.009   1.3595      ?      ? 
1 1 1  -13   15   23 o   48.934   1.3489  2329.12  128.133   0.0000   0.0000  2329.12  128.133  ?   ?    48.934   1.3489      ?      ? 
1 1 1  -13   15   24 o   56.192   1.4108  3073.47  153.886   0.0000   0.0000  3073.47  153.886  ?   ?    56.192   1.4108      ?      ? 
1 1 1  -13   15   25 f   22.964   1.8182  532.628   78.836  422.213  116.870  624.821  106.791   20.679   2.9115   25.250   2.1787 -4.571629 3.636446 
1 1 1  -13   15   26 o   49.352   1.1545  2387.65  109.235  2331.19  167.083  2429.80  144.359   48.813   1.7633   49.891   1.4906 -1.078533 2.308942 
1 1 1  -13   15   27 o   25.553   1.6996  651.164   82.674  615.933  128.184  676.258  108.182   24.905   2.6515   26.202   2.1270 -1.296944 3.399164 
1 1 1  -13   15   28 f   8.5400   2.6026  -9.8648   82.011 -108.1231  132.418   51.279  104.457   7.7104   3.5975   9.3696   3.7620 -1.659141 5.205297 
1 1 1  -13   15   29 o   22.975   1.9339  510.546   84.168  671.270  138.141  415.654  106.145   25.702   2.7688   20.247   2.7007 5.455172 3.867788 
1 1 1  -13   15   30 o   23.972   1.9957  589.878   90.358  587.082  144.936  591.655  115.566   23.771   3.1409   24.172   2.4629 -0.4005871 3.991430 
1 1 1  -13   15   31 o   20.444   2.4789  446.629   94.629  582.569  143.380  341.718  125.958   23.489   3.1445   17.399   3.8329 6.090511 4.957768 
1 1 1  -13   15   32 o   8.0114   2.6236 -69.9155   97.350 -109.4983  137.814 -30.4928  137.535   7.5422   3.5661   8.4806   3.8491 -0.9383130 5.247185 
1 1 1  -13   16    1 o  155.760   1.0794 23511.02  324.940 23071.01  437.732 24051.09  484.956  154.143   1.4629  157.377   1.5874 -3.234055 2.158724 
1 1 1  -13   16    2 o   53.304   0.5775  2747.03   59.588  2615.73   80.710  2904.35   88.349   51.910   0.8010   54.699   0.8321 -2.788662 1.154933 
1 1 1  -13   16    3 o  120.393   0.9154 14084.55  213.654 14335.01  296.244 13813.05  308.429  121.511   1.2559  119.276   1.3321 2.234993 1.830818 
1 1 1  -13   16    4 o   71.114   0.8077  4914.04  104.143  4921.66  126.478  4897.98  183.528   71.204   0.9151   71.025   1.3311 0.1782990 1.615326 
1 1 1  -13   16    5 o  119.007   0.9183 13734.90  211.653 13522.01  288.734 13982.15  311.168  118.013   1.2604  120.001   1.3358 -1.988640 1.836560 
1 1 1  -13   16    6 o   96.279   0.7769  9004.24  145.110  9181.56  203.044  8819.12  207.462   97.249   1.0756   95.309   1.1213 1.939865 1.553793 
1 1 1  -13   16    7 o  127.094   0.9586 15683.93  236.495 15806.28  335.748 15563.45  333.176  127.586   1.3556  126.602   1.3557 0.9838486 1.917218 
1 1 1  -13   16    8 o  169.198   1.1940 27805.15  392.130 27830.72  552.143 27779.13  557.001  169.277   1.6803  169.119   1.6967 0.1580811 2.387916 
1 1 1  -13   16    9 o   73.537   0.9368  5251.73  133.684  5287.62  186.911  5214.14  191.279   73.795   1.3048   73.279   1.3447 0.5154877 1.873681 
1 1 1  -13   16   10 o  151.604   1.2678 22237.66  362.389 22694.47  589.882 21960.74  459.279  152.836   1.9883  150.373   1.5734 2.462738 2.535517 
1 1 1  -13   16   11 o   58.095   0.7938  3280.85   88.277  3253.89  136.429  3300.27  115.782   57.888   1.2141   58.303   1.0230 -0.4148674 1.587642 
1 1 1  -13   16   12 o  168.601   1.4732 27634.06  482.132 27617.45  678.478 27651.02  685.248  168.551   2.0737  168.651   2.0931 -0.9991455E-01 2.946399 
1 1 1  -13   16   13 o   21.125   1.1517  440.027   39.622  421.823   82.092  445.555   45.241   20.829   2.0303   21.420   1.0880 -0.5910835 2.303469 
1 1 1  -13   16   14 o  118.606   1.0954 13783.67  239.629 13293.17  404.605 14048.68  297.399  116.947   1.7823  120.266   1.2739 -3.319221 2.190743 
1 1 1  -13   16   15 o   31.084   0.8302  935.756   46.289  945.438   83.491  931.460   55.621   31.196   1.3787   30.972   0.9251 0.2235451 1.660343 
1 1 1  -13   16   16 o   60.560   0.7524  3513.24   79.562  3673.11  151.549  3452.41   93.480   61.490   1.2696   59.630   0.8076 1.860199 1.504719 
1 1 1  -13   16   17 o   67.981   0.7937  4558.98   97.710  4291.19  169.987  4691.12  119.409   66.457   1.3177   69.505   0.8850 -3.048126 1.587306 
1 1 1  -13   16   18 o   45.174   0.7329  2034.82   57.306  1864.33  107.039  2103.33   67.848   43.805   1.2588   46.543   0.7510 -2.738644 1.465781 
1 1 1  -13   16   19 o   29.622   1.1132  845.000   62.847  895.103   99.995  812.288   80.799   30.337   1.6980   28.908   1.4399 1.428961 2.226350 
1 1 1  -13   16   20 o   66.728   0.9610  4319.61  123.310  4390.31  188.440  4266.66  163.071   67.198   1.4446   66.258   1.2679 0.9398804 1.922092 
1 1 1  -13   16   21 o   91.103   1.6873  8076.81  298.387   0.0000   0.0000  8076.81  298.387  ?   ?    91.103   1.6873      ?      ? 
1 1 1  -13   16   22 o   69.046   1.4169  4637.70  189.912   0.0000   0.0000  4637.70  189.912  ?   ?    69.046   1.4169      ?      ? 
1 1 1  -13   16   23 o   38.002   1.4851  1405.49  109.554   0.0000   0.0000  1405.49  109.554  ?   ?    38.002   1.4851      ?      ? 
1 1 1  -13   16   24 o   37.987   1.5812  1405.98  116.594   0.0000   0.0000  1405.98  116.594  ?   ?    37.987   1.5812      ?      ? 
1 1 1  -13   16   25 o   50.987   1.4516  2534.49  143.670   0.0000   0.0000  2534.49  143.670  ?   ?    50.987   1.4516      ?      ? 
1 1 1  -13   16   26 o   39.892   1.2373  1544.38   94.596  1637.20  147.682  1479.80  123.183   40.879   1.8611   38.906   1.6311 1.972549 2.474666 
1 1 1  -13   16   27 o   23.067   1.8823  538.111   80.782  493.826  131.577  564.902  102.340   22.206   3.0525   23.927   2.2033 -1.721756 3.764611 
1 1 1  -13   16   28 o   19.743   2.1704  379.968   80.543  458.900  135.910  337.242   99.994   21.193   3.3037   18.293   2.8159 2.899399 4.340901 
1 1 1  -13   16   29 o   13.292   2.9463  176.912   85.634  273.585  136.031  113.452  110.213   15.625   4.3334   10.959   3.9929 4.665541 5.892503 
1 1 1  -13   16   30 o   12.187   3.0572  149.819   90.182  193.610  139.049  118.027  118.478   13.263   4.5139   11.111   4.1243 2.151595 6.114356 
1 1 1  -13   16   31 o   14.615   3.1532  248.363   97.687  296.650  146.387  209.598  131.163   15.767   4.5380   13.462   4.3793 2.304651 6.306460 
1 1 1  -13   16   32 o   8.7297   2.7254 -81.7384   99.842  122.034  149.298 -246.5975  134.288   11.234   4.5022   6.2254   3.0727 5.008451 5.450790 
1 1 1  -13   17    1 o   48.595   0.5787  2289.55   54.556  2205.79   75.599  2380.58   78.810   47.669   0.8170   49.521   0.8198 -1.852665 1.157413 
1 1 1  -13   17    2 o  143.946   1.0219 20119.22  284.695 20106.79  387.916 20133.75  419.134  143.901   1.3887  143.992   1.4995 -0.9144592E-01 2.043775 
1 1 1  -13   17    3 o  141.001   1.0282 19307.00  280.637 19327.23  383.026 19283.56  412.358  141.083   1.3986  140.919   1.5074 0.1643219 2.056310 
1 1 1  -13   17    4 o   60.621   0.7787  3510.60   82.426  3439.45   96.778  3698.58  157.296   59.524   0.8376   61.719   1.3129 -2.194565 1.557318 
1 1 1  -13   17    5 o  307.724   1.5149 91989.01  895.399 91889.80  1183.36 92121.86  1369.50  307.553   1.9821  307.894   2.2914 -0.3413086 3.029726 
1 1 1  -13   17    6 o   93.046   0.7763  8390.30  139.969  8167.63  191.394  8646.30  205.219   91.721   1.0750   94.370   1.1203 -2.648315 1.552586 
1 1 1  -13   17    7 o  142.321   1.0099 19686.91  278.140 19903.55  379.779 19436.28  408.486  143.169   1.3665  141.473   1.4874 1.696396 2.019859 
1 1 1  -13   17    8 o   90.260   0.7771  7901.13  136.031  8102.48  197.385  7719.00  187.730   91.354   1.1131   89.167   1.0846 2.187347 1.554111 
1 1 1  -13   17    9 o  133.114   1.1708 17278.95  294.803 16896.38  470.663 17525.93  378.178  131.887   1.8384  134.342   1.4502 -2.455414 2.341533 
1 1 1  -13   17   10 o   62.854   0.7725  3892.99   87.643  3677.85  153.604  3996.83  106.719   61.543   1.2858   64.165   0.8568 -2.621494 1.545081 
1 1 1  -13   17   11 o  123.764   1.2674 14880.70  304.466 14682.82  427.558 15084.29  433.666  122.929   1.7917  124.599   1.7930 -1.669197 2.534786 
1 1 1  -13   17   12 o  139.227   1.3263 18833.54  358.402 18424.33  501.610 19260.32  512.271  137.682   1.8768  140.771   1.8747 -3.089157 2.652699 
1 1 1  -13   17   13 o   86.689   1.0343  7286.21  173.705  7518.14  255.281  7086.24  237.044   87.969   1.4949   85.408   1.4298 2.560738 2.068583 
1 1 1  -13   17   14 o   79.294   0.8481  6087.64  121.009  6157.61  217.096  6056.10  145.751   79.614   1.4048   78.974   0.9507 0.6390762 1.696239 
1 1 1  -13   17   15 o   23.366   0.9463  556.290   33.110  490.050   75.105  572.268   36.888   22.454   1.7231   24.278   0.7827 -1.824606 1.892568 
1 1 1  -13   17   16 o   30.991   0.8269  879.808   38.878  1019.82   92.830  850.028   42.813   32.394   1.4762   29.589   0.7454 2.805260 1.653753 
1 1 1  -13   17   17 o   80.214   0.8692  6256.23  126.032  6236.09  223.361  6265.64  152.654   80.105   1.4364   80.322   0.9791 -0.2169800 1.738344 
1 1 1  -13   17   18 o   45.885   0.7771  2078.30   58.928  1982.00  119.394  2109.31   67.755   45.161   1.3619   46.609   0.7489 -1.448048 1.554231 
1 1 1  -13   17   19 o   48.572   0.9059  2266.30   83.340  2410.03  135.226  2178.27  105.826   49.794   1.3990   47.350   1.1513 2.443634 1.811850 
1 1 1  -13   17   20 o   23.822   1.2333  548.933   56.447  574.915   87.081  530.105   74.131   24.301   1.8460   23.343   1.6360 0.9587402 2.466599 
1 1 1  -13   17   21 o  108.521   1.9397 11470.87  408.609   0.0000   0.0000 11470.87  408.609  ?   ?   108.521   1.9397      ?      ? 
1 1 1  -13   17   22 o   20.436   2.3450  407.843   93.026   0.0000   0.0000  407.843   93.026  ?   ?    20.436   2.3450      ?      ? 
1 1 1  -13   17   23 o   28.673   1.7631  801.086   98.130   0.0000   0.0000  801.086   98.130  ?   ?    28.673   1.7631      ?      ? 
1 1 1  -13   17   24 o   81.595   1.5965  6489.17  252.875   0.0000   0.0000  6489.17  252.875  ?   ?    81.595   1.5965      ?      ? 
1 1 1  -13   17   25 o   45.529   1.4687  2021.47  129.806   0.0000   0.0000  2021.47  129.806  ?   ?    45.529   1.4687      ?      ? 
1 1 1  -13   17   26 o   54.098   1.0905  2880.18  113.338  2695.68  169.722  3028.67  152.264   52.493   1.6656   55.703   1.4082 -3.210346 2.181088 
1 1 1  -13   17   27 o   52.952   1.1216  2755.41  113.255  2693.33  176.481  2798.88  147.675   52.397   1.7351   53.507   1.4218 -1.110394 2.243230 
1 1 1  -13   17   28 o   13.935   2.8497  199.320   79.038  254.921  132.577  168.662   98.445   15.262   4.2942   12.608   3.7476 2.654441 5.699491 
1 1 1  -13   17   29 o   13.832   2.6413  156.688   81.645  394.779  137.550   27.171  101.450   19.033   3.8550   8.6298   3.6116 10.40359 5.282524 
1 1 1  -13   17   30 o   49.118   1.2300  2392.61  116.046  2421.02  177.781  2371.51  153.181   49.293   1.8580   48.943   1.6123 0.3497925 2.460005 
1 1 1  -13   17   31 o   37.721   1.4104  1450.65  101.387  1312.85  154.057  1555.93  134.660   35.969   2.2064   39.473   1.7574 -3.503872 2.820796 
1 1 1  -13   17   32 o   13.462   3.1165  222.148   93.466  215.895  144.779  226.616  122.386   13.253   4.6022   13.671   4.2034 -0.4180069 6.232904 
1 1 1  -13   18    1 o  193.809   1.2168 36503.24  455.208 36683.55  612.966 36281.54  679.718  194.350   1.6248  193.267   1.8118 1.082382 2.433591 
1 1 1  -13   18    2 o  210.544   1.2796 43001.16  518.709 42623.06  689.480 43494.23  787.356  209.488   1.6955  211.599   1.9169 -2.110397 2.559121 
1 1 1  -13   18    3 o  143.996   1.0434 20140.14  290.745 20197.59  396.202 20073.11  427.986  144.222   1.4152  143.771   1.5335 0.4509583 2.086756 
1 1 1  -13   18    4 f   78.417   0.6883  5970.33  104.721  5992.44  146.017  5946.91  150.271   78.566   0.9574   78.267   0.9891 0.2995987 1.376564 
1 1 1  -13   18    5 o   56.048   0.5768  3053.39   62.676  3204.76   88.081  2898.13   89.205   57.458   0.7897   54.639   0.8410 2.818424 1.153691 
1 1 1  -13   18    6 o  138.724   1.0034 18695.09  269.496 18797.36  368.521 18577.53  395.118  139.134   1.3645  138.313   1.4716 0.8209839 2.006853 
1 1 1  -13   18    7 o  106.624   0.8521 11033.67  176.024 10969.48  241.130 11106.91  257.552  106.293   1.1686  106.955   1.2405 -0.6616058 1.704285 
1 1 1  -13   18    8 o   51.368   0.5447  2561.66   54.309  2600.65   76.727  2522.50   76.882   51.760   0.7636   50.976   0.7769 0.7838058 1.089403 
1 1 1  -13   18    9 o   88.032   1.0499  7526.10  179.369  7531.02  251.146  7520.99  256.264   88.062   1.4692   88.002   1.5001 0.5974579E-01 2.099735 
1 1 1  -13   18   10 o  212.146   1.4947 43684.62  607.505 44093.14  940.074 43391.68  796.057  212.974   2.2739  211.318   1.9406 1.655701 2.989422 
1 1 1  -13   18   11 o  104.674   1.1529 10643.06  234.215 10725.26  334.827 10564.29  327.747  105.069   1.6417  104.279   1.6191 0.7900467 2.305767 
1 1 1  -13   18   12 o   51.901   0.7621  2625.05   75.400  2565.26  117.661  2666.70   98.216   51.395   1.1794   52.407   0.9655 -1.011311 1.524130 
1 1 1  -13   18   13 o   68.089   0.7754  4509.76   93.208  4483.84  172.191  4520.50  110.853   67.943   1.3056   68.235   0.8369 -0.2921906 1.550776 
1 1 1  -13   18   14 o  158.746   1.3226 24613.90  389.593 24111.75  652.011 24892.74  485.868  157.440   2.1334  160.052   1.5638 -2.611496 2.645193 
1 1 1  -13   18   15 o  120.251   1.1210 14065.73  248.339 14012.07  423.951 14093.76  306.411  120.051   1.8192  120.450   1.3105 -0.3982773 2.242076 
1 1 1  -13   18   16 o   42.726   0.7415  1790.02   50.515  1743.30  108.256  1803.03   57.114   42.358   1.3166   43.095   0.6827 -0.7361183 1.483079 
1 1 1  -13   18   17 o   19.137   1.4034  403.869   34.652  295.237   89.485  423.033   37.584   17.402   2.6490   20.871   0.9277 -3.469017 2.806705 
1 1 1  -13   18   18 o   19.490   1.6231  434.329   38.557  299.973   99.801  457.901   41.803   17.267   3.0910   21.713   0.9918 -4.446037 3.246209 
1 1 1  -13   18   19 o   42.571   0.9226  1757.71   75.460  1785.89  115.700  1736.85   99.545   42.863   1.3905   42.278   1.2129 0.5851326 1.845203 
1 1 1  -13   18   20 o   55.974   0.9365  3051.30  101.074  2997.54  151.266  3094.67  135.854   55.523   1.4035   56.426   1.2403 -0.9036293 1.872992 
1 1 1  -13   18   21 o   51.107   0.9027  2539.11   89.549  2550.58  127.613  2527.99  125.691   51.220   1.2835   50.994   1.2698 0.2265320 1.805438 
1 1 1  -13   18   22 o   50.624   1.3215  2492.25  129.868   0.0000   0.0000  2492.25  129.868  ?   ?    50.624   1.3215      ?      ? 
1 1 1  -13   18   23 o   55.917   1.3425  3041.93  145.719   0.0000   0.0000  3041.93  145.719  ?   ?    55.917   1.3425      ?      ? 
1 1 1  -13   18   24 o   88.318   1.6884  7609.26  289.462   0.0000   0.0000  7609.26  289.462  ?   ?    88.318   1.6884      ?      ? 
1 1 1  -13   18   25 o   49.350   1.4165  2374.69  135.695   0.0000   0.0000  2374.69  135.695  ?   ?    49.350   1.4165      ?      ? 
1 1 1  -13   18   26 o   27.700   1.6170  770.786   83.019  704.511  136.341  809.838  104.658   26.666   2.6340   28.734   1.8763 -2.068584 3.233926 
1 1 1  -13   18   27 o   34.297   1.3626  1156.53   87.683  1162.54  143.837  1152.98  110.613   34.307   2.1598   34.288   1.6619 0.1976013E-01 2.725202 
1 1 1  -13   18   28 o   15.245   2.8099  249.882   81.734  263.670  135.923  242.073  102.294   15.470   4.3464   15.020   3.5624 0.4503117 5.619787 
1 1 1  -13   18   29 o   10.853   2.9211  102.057   83.681   97.805  135.594  104.672  106.349   11.059   4.3358   10.647   3.9157 0.4120388 5.842235 
1 1 1  -13   18   30 o   15.690   2.9090  289.081   92.681  198.259  140.112  359.734  123.579   13.312   4.5311   18.067   3.6493 -4.754661 5.817911 
1 1 1  -13   18   31 f   9.0039   2.7516  -5.9355   95.037 -128.6883  143.058   91.034  127.149   7.5830   3.5994   10.425   4.1630 -2.841707 5.503252 
1 1 1  -13   18   32 o   11.997   3.0587  157.339   99.293   47.814  145.945  251.721  135.481   9.7721   4.2177   14.221   4.4309 -4.449072 6.117349 
1 1 1  -13   19    1 o  130.655   0.9776 16583.22  247.197 16667.20  337.211 16485.67  363.439  131.015   1.3259  130.295   1.4369 0.7201996 1.955204 
1 1 1  -13   19    2 o  128.748   0.9602 16083.37  239.267 15942.59  325.345 16249.20  353.105  128.137   1.3080  129.359   1.4062 -1.222168 1.920474 
1 1 1  -13   19    3 o   91.426   0.7559  8113.32  134.072  8067.53  186.027  8162.82  193.402   91.158   1.0513   91.694   1.0866 -0.5359650 1.511885 
1 1 1  -13   19    4 o   24.395   0.6677  576.344   31.334  567.678   41.463  587.883   47.846   24.182   0.8833   24.608   1.0016 -0.4259472 1.335450 
1 1 1  -13   19    5 o  125.588   0.9484 15311.90  230.784 15265.31  316.653 15364.70  337.056  125.385   1.3010  125.790   1.3804 -0.4043350 1.896826 
1 1 1  -13   19    6 o   85.569   0.7282  7106.80  120.836  7071.77  166.874  7145.42  175.206   85.348   1.0072   85.791   1.0521 -0.4423828 1.456491 
1 1 1  -13   19    7 o   63.702   0.6025  3922.49   74.298  3722.42  100.641  4162.14  110.148   61.924   0.8372   65.479   0.8666 -3.554993 1.204964 
1 1 1  -13   19    8 o   73.632   0.6487  5264.09   92.668  5291.09  129.250  5235.53  132.933   73.826   0.9019   73.437   0.9325 0.3891220 1.297300 
1 1 1  -13   19    9 o  261.673   1.6391 66509.98  824.890 66943.77  1256.78 66181.68  1093.36  262.395   2.4674  260.951   2.1584 1.444000 3.278240 
1 1 1  -13   19   10 o   75.195   0.9707  5490.52  141.672  5394.19  198.858  5589.81  201.885   74.526   1.3746   75.865   1.3709 -1.339500 1.941335 
1 1 1  -13   19   11 o   35.092   0.8094  1227.14   47.771  1132.99   93.502  1260.40   55.570   34.153   1.4104   36.031   0.7945 -1.878696 1.618751 
1 1 1  -13   19   12 o  131.869   1.1848 17028.55  290.290 16439.81  482.587 17362.38  363.385  130.045   1.9117  133.692   1.4002 -3.647186 2.369634 
1 1 1  -13   19   13 o   53.700   0.7274  2846.73   65.817  2706.43  129.488  2895.60   76.426   52.786   1.2637   54.614   0.7209 -1.827183 1.454869 
1 1 1  -13   19   14 o   78.125   0.8593  5976.11  120.272  5803.55  215.251  6054.44  145.023   77.288   1.4347   78.963   0.9461 -1.675400 1.718599 
1 1 1  -13   19   15 o   84.900   0.9063  7049.70  139.160  6871.01  244.980  7134.83  169.089   84.086   1.5009   85.714   1.0162 -1.628006 1.812561 
1 1 1  -13   19   16 o  127.856   1.1955 15891.92  281.551 15900.39  481.279 15887.51  347.153  127.846   1.9393  127.865   1.3986 -0.1853943E-01 2.391034 
1 1 1  -13   19   17 o   67.206   0.8291  4371.23   96.206  4423.60  185.175  4351.87  112.594   67.467   1.4139   66.945   0.8664 0.5222778 1.658286 
1 1 1  -13   19   18 o   63.884   0.8330  4038.84   92.791  3795.99  172.433  4137.83  110.091   62.493   1.4214   65.276   0.8688 -2.782600 1.665922 
1 1 1  -13   19   19 o   84.263   1.1125  6906.70  181.893  6844.54  260.402  6965.93  254.180   83.890   1.5991   84.636   1.5471 -0.7461853 2.224987 
1 1 1  -13   19   20 o   54.267   0.9531  2849.93   98.884  2937.72  154.842  2789.46  128.500   54.962   1.4513   53.571   1.2357 1.390282 1.906106 
1 1 1  -13   19   21 o   56.392   0.9268  3098.26  101.165  3002.15  147.431  3183.78  139.072   55.559   1.3670   57.224   1.2520 -1.665455 1.853678 
1 1 1  -13   19   22 o   33.911   1.4166  1118.70   93.253   0.0000   0.0000  1118.70   93.253  ?   ?    33.911   1.4166      ?      ? 
1 1 1  -13   19   23 o   55.074   1.3482  2951.32  144.129   0.0000   0.0000  2951.32  144.129  ?   ?    55.074   1.3482      ?      ? 
1 1 1  -13   19   24 o   39.497   1.4886  1520.57  114.128   0.0000   0.0000  1520.57  114.128  ?   ?    39.497   1.4886      ?      ? 
1 1 1  -13   19   25 o   52.164   1.3854  2653.31  140.286   0.0000   0.0000  2653.31  140.286  ?   ?    52.164   1.3854      ?      ? 
1 1 1  -13   19   26 o   19.792   2.0868  373.029   77.973  469.300  130.182  319.170   97.371   21.667   3.0952   17.916   2.7998 3.751310 4.173590 
1 1 1  -13   19   27 o   16.417   2.6245  280.680   79.229  306.139  132.096  266.375   99.015   16.885   4.0765   15.949   3.3067 0.9356508 5.249046 
1 1 1  -13   19   28 o   15.607   2.6713  247.473   78.734  350.885  130.551  188.359   98.706   17.993   3.8538   13.221   3.7001 4.772186 5.342508 
1 1 1  -13   19   29 o   34.888   1.4072  1198.95   93.233  1272.38  149.880  1152.60  119.075   35.670   2.1646   34.105   1.7986 1.564575 2.814323 
1 1 1  -13   19   30 o   31.743   1.6408  1017.27   99.593  1047.17  155.588  996.515  129.631   32.026   2.5027   31.461   2.1226 0.5656681 3.281611 
1 1 1  -13   19   31 o   8.6222   2.6552 -14.4713   90.570 -151.6508  142.841   77.761  117.125   7.3357   3.5135   9.9088   3.9818 -2.573123 5.310342 
1 1 1  -13   19   32 o   7.8543   2.5654 -53.0695   91.058 -101.8581  146.632 -22.4442  116.174   7.8231   3.6926   7.8854   3.5622 -0.6231260E-01 5.130777 
1 1 1  -13   20    1 o  169.513   1.1410 27876.82  373.770 27598.03  504.019 28217.48  557.146  168.577   1.5402  170.449   1.6839 -1.872070 2.282037 
1 1 1  -13   20    2 o  180.344   1.1899 31573.92  414.711 31434.89  560.116 31742.60  616.978  179.910   1.6038  180.777   1.7582 -0.8672638 2.379793 
1 1 1  -13   20    3 o   31.132   0.8714  891.954   46.250  1044.35   93.858  843.083   53.151   32.794   1.4744   29.470   0.9291 3.324448 1.742726 
1 1 1  -13   20    4 o  107.947   0.8622 11311.32  180.404 11269.16  248.184 11358.56  262.694  107.735   1.1867  108.159   1.2512 -0.4244766 1.724468 
1 1 1  -13   20    5 o   40.261   0.5428  1573.95   42.412  1599.47   59.584  1547.73   60.383   40.592   0.7562   39.930   0.7790 0.6620827 1.085668 
1 1 1  -13   20    6 o  197.370   1.2664 37924.39  481.777 38606.30  647.335 37077.69  721.326  199.373   1.6726  195.367   1.9020 4.006149 2.532856 
1 1 1  -13   20    7 o  118.742   0.9336 13692.18  214.888 13713.28  296.191 13668.73  312.238  118.840   1.2839  118.644   1.3557 0.1960373 1.867224 
1 1 1  -13   20    8 o  108.983   0.8698 11532.54  183.786 11525.44  253.712 11540.38  266.593  108.949   1.1996  109.017   1.2598 -0.6832886E-01 1.739581 
1 1 1  -13   20    9 o   48.079   0.6898  2298.35   59.822  2094.38  103.923  2399.43   73.159   46.443   1.1527   49.716   0.7581 -3.273426 1.379665 
1 1 1  -13   20   10 o   41.730   0.7491  1692.00   55.800  1687.99  101.219  1693.75   66.881   41.691   1.2507   41.769   0.8249 -0.7796860E-01 1.498232 
1 1 1  -13   20   11 o  137.097   1.4628 18214.69  386.117 18735.70  588.393 17820.65  511.706  138.799   2.1838  135.395   1.9469 3.404358 2.925685 
1 1 1  -13   20   12 o  112.450   1.0600 12281.98  218.793 12295.00  376.808 12275.35  268.737  112.477   1.7258  112.423   1.2314 0.5409241E-01 2.120088 
1 1 1  -13   20   13 o  153.886   1.3783 23159.85  402.704 22366.87  634.092 23695.90  521.339  151.635   2.1542  156.138   1.7201 -4.503403 2.756682 
1 1 1  -13   20   14 o   97.630   1.0313  9257.11  178.552  9271.10  327.900  9251.22  212.881   97.662   1.7296   97.599   1.1236 0.6286621E-01 2.062559 
1 1 1  -13   20   15 o   91.242   0.9596  8139.83  157.884  7951.62  279.669  8227.87  191.280   90.445   1.5929   92.040   1.0706 -1.595657 1.919270 
1 1 1  -13   20   16 o   54.864   0.7744  2924.50   69.425  2922.15  144.694  2925.21   79.128   54.838   1.3592   54.889   0.7426 -0.5073929E-01 1.548895 
1 1 1  -13   20   17 o   30.691   5.4165  1383.70   51.369 -611.0434  1121.83  1387.89   51.423   23.573   10.810   37.808   0.7007 -14.23577 10.83300 
1 1 1  -13   20   18 o  118.275   1.2774 13651.46  275.583 13488.92  478.915 13731.92  336.960  117.698   2.0962  118.852   1.4605 -1.154060 2.554795 
1 1 1  -13   20   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   20   20 o   31.457   1.0892  970.886   64.709  925.047  103.011  1000.76   83.165   30.830   1.7213   32.084   1.3353 -1.254322 2.178486 
1 1 1  -13   20   21 o   28.865   1.2745  833.935   66.808  745.863  113.885  880.146   82.493   27.651   2.1217   30.079   1.4128 -2.428604 2.549083 
1 1 1  -13   20   22 o   53.126   1.2697  2744.71  130.945   0.0000   0.0000  2744.71  130.945  ?   ?    53.126   1.2697      ?      ? 
1 1 1  -13   20   23 o   52.214   1.3282  2653.08  134.626   0.0000   0.0000  2653.08  134.626  ?   ?    52.214   1.3282      ?      ? 
1 1 1  -13   20   24 o   50.208   1.3333  2455.64  129.947   0.0000   0.0000  2455.64  129.947  ?   ?    50.208   1.3333      ?      ? 
1 1 1  -13   20   25 o   9.8423   3.6192   79.281   90.851   0.0000   0.0000   79.281   90.851  ?   ?    9.8423   3.6192      ?      ? 
1 1 1  -13   20   26 o   16.199   2.3761  267.962   71.518  308.037  111.571  240.010   93.179   17.204   3.4608   15.195   3.2569 2.008384 4.752298 
1 1 1  -13   20   27 o   33.198   1.3640  1070.66   85.749  1161.57  139.638  1015.63  108.646   34.263   2.0995   32.134   1.7417 2.128918 2.727927 
1 1 1  -13   20   28 o   23.483   1.8650  543.030   81.667  608.967  138.995  508.266  100.925   24.434   2.9305   22.531   2.3076 1.903198 3.729944 
1 1 1  -13   20   29 o   10.352   2.8074   91.703   79.074   32.662  139.409  119.709   96.014   9.8285   4.1794   10.876   3.7495 -1.047417 5.614793 
1 1 1  -13   20   30 o   8.9375   2.7599   8.1191   89.139   10.238  139.885   6.6704  115.664   9.3221   4.0751   8.5529   3.7230 0.7692060 5.519710 
1 1 1  -13   20   31 o   20.698   2.4184  459.422   95.988  511.597  150.319  423.499  124.730   21.560   3.5917   19.836   3.2394 1.724096 4.836730 
1 1 1  -13   21    1 o   55.338   0.5934  2971.27   63.716  2923.57   88.652  3022.24   91.638   54.879   0.8322   55.797   0.8461 -0.9182396 1.186736 
1 1 1  -13   21    2 o  106.127   0.8477 10939.53  174.512 11057.15  242.990 10814.23  250.790  106.717   1.1730  105.537   1.2242 1.180298 1.695424 
1 1 1  -13   21    3 f   96.763   0.7976  9092.82  149.676  9146.93  207.503  9034.13  216.107   97.064   1.1013   96.462   1.1541 0.6017151 1.595248 
1 1 1  -13   21    4 o   47.272   0.5558  2170.11   50.869  2182.07   69.592  2156.38   74.541   47.412   0.7561   47.131   0.8147 0.2803802 1.111558 
1 1 1  -13   21    5 o   42.783   0.5327  1773.40   44.166  1720.64   60.449  1833.82   64.688   42.102   0.7396   43.464   0.7667 -1.362446 1.065325 
1 1 1  -13   21    6 o  147.208   1.0514 21028.89  299.346 20861.93  405.469 21228.90  443.802  146.570   1.4251  147.847   1.5464 -1.276611 2.102895 
1 1 1  -13   21    7 o  138.073   1.0601 18510.76  284.053 18334.64  396.367 18696.71  407.279  137.399   1.4861  138.747   1.5122 -1.348495 2.120181 
1 1 1  -13   21    8 o   61.941   0.7600  3758.20   86.244  3624.43  147.667  3827.45  106.248   61.094   1.2452   62.789   0.8717 -1.695641 1.519961 
1 1 1  -13   21    9 o  207.745   1.7867 41932.42  703.425 42230.55  1125.70 41741.44  900.992  208.299   2.7840  207.191   2.2402 1.107513 3.573390 
1 1 1  -13   21   10 o  136.986   1.5368 18229.93  408.194 17893.58  561.843 18605.95  594.050  135.654   2.1336  138.318   2.2125 -2.664337 3.073669 
1 1 1  -13   21   11 o   48.202   0.7977  2272.70   70.563  2205.63  120.609  2307.61   87.008   47.653   1.3038   48.751   0.9194 -1.098019 1.595397 
1 1 1  -13   21   12 o   79.614   0.8916  6218.46  128.197  5985.93  225.567  6329.40  155.805   78.493   1.4804   80.736   0.9942 -2.242928 1.783238 
1 1 1  -13   21   13 o   35.594   0.7522  1215.76   36.408  1250.85   96.877  1209.98   39.289   35.882   1.3908   35.305   0.5733 0.5771484 1.504348 
1 1 1  -13   21   14 o   51.583   0.7899  2610.50   75.887  2489.15  125.057  2681.23   95.474   50.620   1.2727   52.547   0.9360 -1.927235 1.579822 
1 1 1  -13   21   15 o   20.393   1.3305  454.589   37.144  336.062   89.666  479.141   40.810   18.573   2.4871   22.212   0.9465 -3.639631 2.661064 
1 1 1  -13   21   16 o   58.742   0.7676  3372.78   76.670  3307.56  149.938  3395.88   89.216   58.344   1.3239   59.139   0.7771 -0.7953110 1.535131 
1 1 1  -13   21   17 o   37.371   0.8159  1364.39   45.256  1344.99  106.937  1368.62   49.949   37.197   1.4810   37.545   0.6853 -0.3476257 1.631868 
1 1 1  -13   21   18 o   63.065   0.8245  3812.68   88.359  3971.06  175.562  3758.95  102.253   63.915   1.4150   62.215   0.8467 1.699951 1.648980 
1 1 1  -13   21   19 o   62.882   0.9505  3856.63  114.946  3747.49  173.524  3941.96  153.440   62.079   1.4400   63.685   1.2412 -1.605831 1.901063 
1 1 1  -13   21   20 o   34.954   0.9821  1167.48   64.846  1274.97  106.503  1104.16   81.745   36.204   1.5154   33.703   1.2495 2.500565 1.964105 
1 1 1  -13   21   21 o   46.605   0.9610  2107.55   85.650  2141.13  133.566  2084.10  111.621   46.912   1.4667   46.299   1.2420 0.6132927 1.921913 
1 1 1  -13   21   22 o   68.258   1.3689  4532.85  181.386   0.0000   0.0000  4532.85  181.386  ?   ?    68.258   1.3689      ?      ? 
1 1 1  -13   21   23 o   21.804   2.1480  464.855   90.913   0.0000   0.0000  464.855   90.913  ?   ?    21.804   2.1480      ?      ? 
1 1 1  -13   21   24 o   53.192   1.3207  2756.38  136.370   0.0000   0.0000  2756.38  136.370  ?   ?    53.192   1.3207      ?      ? 
1 1 1  -13   21   25 o   13.908   3.3193  200.861   88.370   0.0000   0.0000  200.861   88.370  ?   ?    13.908   3.3193      ?      ? 
1 1 1  -13   21   26 o   9.6201   3.6259   72.044   92.258   0.0000   0.0000   72.044   92.258  ?   ?    9.6201   3.6259      ?      ? 
1 1 1  -13   21   27 o   13.761   2.8210  200.506   77.148  206.367  131.831  197.454   95.140   13.911   4.3768   13.610   3.5604 0.3015699 5.642013 
1 1 1  -13   21   28 f   30.714   1.3989  906.570   80.805  1063.25  135.727  820.542  100.572   32.638   2.1423   28.789   1.7996 3.849104 2.797841 
1 1 1  -13   21   29 o   30.390   1.5830  934.950   90.156  902.735  146.439  954.614  114.409   29.819   2.5298   30.961   1.9036 -1.141523 3.166030 
1 1 1  -13   21   30 o   10.511   2.9589   89.199   92.474   23.277  150.944  128.806  117.001   9.7880   4.2568   11.234   4.1108 -1.446211 5.917720 
1 1 1  -13   21   31 o   9.9220   2.9501   51.880   94.527  113.427  152.599   13.559  120.411   11.173   4.5255   8.6713   3.7860 2.501304 5.900299 
1 1 1  -13   22    1 o   76.663   0.6865  5705.61  102.103  5703.10  141.928  5708.30  146.995   76.646   0.9539   76.680   0.9875 -0.3428650E-01 1.373032 
1 1 1  -13   22    2 o  137.741   1.0041 18411.03  267.777 18251.64  364.961 18596.87  394.103  137.098   1.3714  138.384   1.4671 -1.285782 2.008235 
1 1 1  -13   22    3 o   17.846   0.8962  310.610   30.725  319.492   40.956  299.176   46.467   18.140   1.1631   17.553   1.3638 0.5873299 1.792393 
1 1 1  -13   22    4 o   81.785   0.7126  6496.43  113.045  6568.65  157.245  6419.18  162.630   82.256   0.9848   81.313   1.0303 0.9421768 1.425268 
1 1 1  -13   22    5 o  156.440   1.0937 23754.89  330.856 23610.31  448.019 23928.30  490.689  155.921   1.4802  156.959   1.6105 -1.037933 2.187396 
1 1 1  -13   22    6 o   93.498   0.7799  8475.82  141.175  8329.62  192.099  8647.50  208.171   92.624   1.0684   94.373   1.1363 -1.748749 1.559732 
1 1 1  -13   22    7 o   47.643   0.5293  2197.03   48.789  2129.53   65.919  2278.79   72.553   46.837   0.7250   48.450   0.7714 -1.613068 1.058672 
1 1 1  -13   22    8 o   92.427   0.8162  8289.19  146.384  8084.29  203.399  8509.36  210.838   91.243   1.1484   93.611   1.1603 -2.367538 1.632477 
1 1 1  -13   22    9 o   34.391   1.0593  1150.16   70.490  1164.28   96.212  1133.80  103.569   34.621   1.4316   34.162   1.5618 0.4586754 2.118667 
1 1 1  -13   22   10 o  131.673   1.4806 16861.87  378.138 16925.99  524.668 16792.56  545.474  131.939   2.0485  131.408   2.1384 0.5314941 2.961294 
1 1 1  -13   22   11 o   79.738   0.8992  6141.10  128.943  6266.78  232.072  6084.98  155.083   80.314   1.4886   79.162   1.0092 1.152573 1.798424 
1 1 1  -13   22   12 o   6.9117   1.7248   43.785   18.270 -48.8602   89.791   47.786   18.660   6.9388   3.1334   6.8846   1.4425 0.5423403E-01 3.449511 
1 1 1  -13   22   13 o   92.034   0.9963  8148.96  165.104  8443.05  297.511  8018.08  198.471   93.205   1.6444   90.862   1.1253 2.343636 1.992514 
1 1 1  -13   22   14 o   27.999   0.8797  762.166   40.656  760.381   83.467  762.721   46.552   27.970   1.5373   28.027   0.8557 -0.5638313E-01 1.759377 
1 1 1  -13   22   15 o   78.747   0.8838  5931.41  121.886  6239.94  231.380  5812.91  143.395   80.127   1.4876   77.367   0.9548 2.759407 1.767642 
1 1 1  -13   22   16 o  120.352   1.2859 14138.64  279.865 13950.97  494.290 14227.18  339.530  119.714   2.1270  120.989   1.4457 -1.275040 2.571801 
1 1 1  -13   22   17 o   78.546   0.9172  6014.14  127.859  5948.23  233.723  6042.29  152.742   78.218   1.5393   78.873   0.9976 -0.6547394 1.834322 
1 1 1  -13   22   18 o   23.177   1.2362  479.564   35.535  580.860  109.455  467.629   37.571   24.412   2.3098   21.943   0.8820 2.468515 2.472473 
1 1 1  -13   22   19 o   62.570   0.9279  3812.17  112.095  3743.08  166.613  3869.31  151.514   62.045   1.3834   63.094   1.2371 -1.048828 1.855818 
1 1 1  -13   22   20 o   52.161   0.9465  2650.92   93.503  2622.02  149.237  2669.60  119.970   51.915   1.4809   52.407   1.1793 -0.4911690 1.893058 
1 1 1  -13   22   21 o   18.958   1.6615  355.724   59.944  323.496   91.926  379.566   79.066   18.187   2.6038   19.728   2.0646 -1.540974 3.323016 
1 1 1  -13   22   22 o   29.027   1.1565  820.339   65.094  768.924   91.027  874.148   93.122   28.095   1.6691   29.960   1.6012 -1.865103 2.312943 
1 1 1  -13   22   23 o   52.273   1.3114  2660.17  133.070   0.0000   0.0000  2660.17  133.070  ?   ?    52.273   1.3114      ?      ? 
1 1 1  -13   22   24 o   32.694   1.5641  1043.22   99.269   0.0000   0.0000  1043.22   99.269  ?   ?    32.694   1.5641      ?      ? 
1 1 1  -13   22   25 o   14.201   3.2140  209.220   86.534   0.0000   0.0000  209.220   86.534  ?   ?    14.201   3.2140      ?      ? 
1 1 1  -13   22   26 o   24.795   1.9389  604.800   93.320   0.0000   0.0000  604.800   93.320  ?   ?    24.795   1.9389      ?      ? 
1 1 1  -13   22   27 o   21.525   1.9008  446.188   77.109  551.480  129.386  388.193   96.025   23.362   2.8530   19.688   2.5126 3.674175 3.801687 
1 1 1  -13   22   28 o   8.3438   2.5400   2.8573   75.980 -74.4422  126.998   45.949   94.821   7.8420   3.6114   8.8455   3.5728 -1.003427 5.080043 
1 1 1  -13   22   29 o   10.327   2.9092   69.791   84.067  130.942  144.333   38.393  103.421   11.796   4.5136   8.8584   3.6717 2.938042 5.818401 
1 1 1  -13   22   30 o   15.911   2.9250  296.266   89.409  280.108  148.702  305.415  111.894   15.284   4.6202   16.539   3.5884 -1.254643 5.850087 
1 1 1  -13   22   31 o   33.532   1.5967  1156.46  100.031  1147.71  164.566  1161.59  125.975   33.172   2.5557   33.892   1.9148 -0.7202110 3.193420 
1 1 1  -13   23    1 o   30.481   0.6314  900.139   37.323  855.319   51.465  949.863   54.208   29.682   0.8932   31.280   0.8928 -1.597502 1.262864 
1 1 1  -13   23    2 o  106.443   0.9992 10967.75  201.727 11167.80  322.989 10839.81  258.303  107.230   1.5517  105.656   1.2594 1.574097 1.998464 
1 1 1  -13   23    3 o  104.598   0.8407 10622.08  170.406 10605.43  234.133 10640.84  248.489  104.511   1.1541  104.683   1.2228 -0.1719055 1.681421 
1 1 1  -13   23    4 o   78.114   0.6897  5925.92  104.518  5982.41  145.660  5865.96  150.060   78.499   0.9559   77.730   0.9945 0.7686539 1.379423 
1 1 1  -13   23    5 o   81.288   0.7089  6415.12  111.799  6408.87  155.682  6421.76  160.650   81.247   0.9871   81.328   1.0176 -0.8092499E-01 1.417704 
1 1 1  -13   23    6 o  103.724   0.8391 10440.51  168.698 10329.92  231.812 10565.02  245.968  103.142   1.1578  104.307   1.2148 -1.164734 1.678165 
1 1 1  -13   23    7 o   75.365   0.6671  5504.25   97.387  5366.55  132.784  5664.54  143.265   74.347   0.9201   76.382   0.9662 -2.035042 1.334216 
1 1 1  -13   23    8 f   93.332   1.0036  8477.63  172.777  8409.38  293.879  8513.68  213.590   93.033   1.6273   93.632   1.1751 -0.5985260 2.007247 
1 1 1  -13   23    9 o   96.126   1.0309  9026.22  184.571  8797.82  305.944  9156.91  231.429   95.152   1.6564   97.100   1.2278 -1.947571 2.061818 
1 1 1  -13   23   10 o  107.111   3.1013 11524.34  370.803 11592.85  389.625 10866.26  1207.62  109.209   1.8379  105.013   5.9241 4.195847 6.202601 
1 1 1  -13   23   11 o   14.695   5.4415 -77.9992   81.405 -75.7216   81.672 -423.6999  1006.22   6.1000   2.8392   23.291   10.506 -17.19066 10.88296 
1 1 1  -13   23   12 o   50.004   6.6179  2594.12  134.588  2594.71  135.352  2542.38  1268.78   51.681   1.3492   48.326   13.167 3.355133 13.23580 
1 1 1  -13   23   13 o   52.877   0.8282  2699.26   81.072  2769.96  137.974  2661.99  100.193   53.396   1.3311   52.357   0.9858 1.039814 1.656427 
1 1 1  -13   23   14 o  113.171   1.1813 12548.75  248.617 12108.65  412.351 12800.10  311.629  111.571   1.9039  114.771   1.3988 -3.199394 2.362507 
1 1 1  -13   23   15 o  138.557   1.4653 18663.18  366.044 18738.70  652.949 18628.57  442.036  138.692   2.4253  138.421   1.6451 0.2706757 2.930578 
1 1 1  -13   23   16 o   76.701   0.9053  5727.81  122.079  5689.21  227.032  5743.51  144.794   76.501   1.5288   76.901   0.9700 -0.4005280 1.810552 
1 1 1  -13   23   17 o   27.252   1.0958  728.860   35.379  713.627  109.102  730.650   37.400   27.072   2.0761   27.432   0.7023 -0.3598156 2.191666 
1 1 1  -13   23   18 o   50.062   0.7910  2456.12   63.923  2397.11  134.709  2473.27   72.619   49.655   1.3975   50.468   0.7413 -0.8128624 1.581962 
1 1 1  -13   23   19 o   56.409   0.8152  3130.02   76.509  3018.73  153.923  3166.54   88.172   55.717   1.4231   57.102   0.7955 -1.384357 1.630369 
1 1 1  -13   23   20 o   30.999   1.1255  958.563   63.063  869.621  108.928  1003.40   77.342   29.873   1.8784   32.125   1.2402 -2.251585 2.250916 
1 1 1  -13   23   21 o   10.538   2.5521   94.895   57.745  116.098  110.436   86.916   67.744   11.474   4.0175   9.6023   3.1484 1.871219 5.104190 
1 1 1  -13   23   22 o   20.010   1.7208  406.705   64.306  306.259   96.251  487.688   86.425   17.666   2.8068   22.353   1.9917 -4.687687 3.441657 
1 1 1  -13   23   23 f   28.623   1.6841  799.534   93.573   0.0000   0.0000  799.534   93.573  ?   ?    28.623   1.6841      ?      ? 
1 1 1  -13   23   24 o   43.912   1.3247  1879.48  112.916   0.0000   0.0000  1879.48  112.916  ?   ?    43.912   1.3247      ?      ? 
1 1 1  -13   23   25 o   32.895   1.4951  1057.51   95.472   0.0000   0.0000  1057.51   95.472  ?   ?    32.895   1.4951      ?      ? 
1 1 1  -13   23   26 o   33.354   1.5112  1089.43   97.848   0.0000   0.0000  1089.43   97.848  ?   ?    33.354   1.5112      ?      ? 
1 1 1  -13   23   27 o   23.758   1.7739  558.096   76.554  590.021  135.893  543.255   92.655   24.117   2.9028   23.399   2.0399 0.7181377 3.547844 
1 1 1  -13   23   28 o   18.963   2.3208  338.423   79.643  537.451  141.189  245.536   96.454   22.814   3.1881   15.112   3.3735 7.701929 4.641624 
1 1 1  -13   23   29 o   17.683   2.6571  369.513   86.755  253.943  144.256  434.995  108.586   14.791   4.5662   20.575   2.7187 -5.783784 5.314248 
1 1 1  -13   23   30 o   21.856   2.3140  456.438   90.478  745.318  162.853  327.455  108.819   26.475   3.1688   17.237   3.3730 9.237711 4.628016 
1 1 1  -13   23   31 o   22.693   2.3333  559.149  100.211  592.014  161.797  538.696  127.639   22.953   3.6314   22.434   2.9310 0.5186691 4.666621 
1 1 1  -13   24    1 o   58.031   0.5919  3261.93   66.577  3142.36   91.127  3398.81   97.504   56.893   0.8251   59.169   0.8489 -2.275558 1.183842 
1 1 1  -13   24    2 o   31.408   0.6111  959.091   37.201  995.487   51.906  920.654   53.342   32.022   0.8350   30.795   0.8923 1.227581 1.222115 
1 1 1  -13   24    3 o   56.073   0.5852  3048.03   63.625  2963.38   87.563  3142.71   92.607   55.250   0.8164   56.896   0.8385 -1.646820 1.170318 
1 1 1  -13   24    4 o  143.581   1.0480 20026.82  291.332 20064.82  398.129 19983.02  427.444  143.731   1.4269  143.430   1.5352 0.3009949 2.095971 
1 1 1  -13   24    5 f  137.560   1.0215 18391.84  272.166 18570.13  373.591 18190.19  397.304  138.274   1.3918  136.845   1.4956 1.429077 2.043076 
1 1 1  -13   24    6 o  174.481   1.1721 29563.65  394.885 29434.44  531.187 29723.28  590.399  174.064   1.5721  174.898   1.7390 -0.8338776 2.344245 
1 1 1  -13   24    7 o   83.380   0.7499  6751.29  121.351  6782.95  170.453  6718.75  172.804   83.579   1.0506   83.182   1.0702 0.3971481 1.499701 
1 1 1  -13   24    8 o  125.375   1.2680 15266.57  297.035 15316.50  492.403 15238.01  372.428  125.513   2.0210  125.237   1.5319 0.2764664 2.535996 
1 1 1  -13   24    9 f   26.551   1.2865  686.571   66.130  707.490   91.133  663.305   96.108   26.981   1.7400   26.122   1.8954 0.8592892 2.572946 
1 1 1  -13   24   10 o   26.163   5.9556  533.974   87.422  534.775   87.735  422.463  1035.49   23.453   1.9271   28.874   11.754 -5.420700 11.91117 
1 1 1  -13   24   11 o   39.346   6.6645  1622.78  101.006  1624.37  101.363  1398.18  1204.79   40.893   1.2769   37.800   13.268 3.093586 13.32893 
1 1 1  -13   24   12 f   71.085   6.5182  6427.78  243.060  6496.98  246.443  3958.68  1472.04   81.766   1.5527   60.404   12.944 21.36201 13.03631 
1 1 1  -13   24   13 o   48.838   6.8052  2783.25  141.369  2791.48  142.252  2126.60  1270.47   53.599   1.3672   44.076   13.542 9.523514 13.61050 
1 1 1  -13   24   14 f   21.361   1.2506  471.175   26.830  412.454   96.482  476.096   27.932   20.578   2.4154   22.145   0.6498 -1.567320 2.501263 
1 1 1  -13   24   15 o   89.328   1.1601  7768.69  200.844  7529.04  289.551  7990.91  278.827   87.993   1.6952   90.663   1.5843 -2.669464 2.320262 
1 1 1  -13   24   16 o   69.160   0.8659  4657.55  102.098  4626.08  199.506  4668.71  118.839   68.984   1.4898   69.336   0.8829 -0.3522263 1.731827 
1 1 1  -13   24   17 o   75.584   0.9004  5597.39  119.893  5442.79  220.995  5661.88  142.722   74.818   1.5216   76.350   0.9630 -1.531960 1.800763 
1 1 1  -13   24   18 o   41.566   0.7514  1688.72   49.038  1661.60  107.577  1695.83   55.095   41.342   1.3405   41.791   0.6792 -0.4493065 1.502729 
1 1 1  -13   24   19 f   34.646   0.9817  1170.60   44.588  1162.51  122.790  1171.83   47.855   34.553   1.8307   34.738   0.7097 -0.1856613 1.963430 
1 1 1  -13   24   20 o   11.072   2.3516  108.795   52.464  167.438   92.547   81.026   63.685   12.855   3.5776   9.2892   3.0530 3.565428 4.703162 
1 1 1  -13   24   21 o   58.070   0.9690  3262.31  107.441  3380.16  169.199  3182.69  139.080   58.933   1.4790   57.208   1.2524 1.725346 1.938045 
1 1 1  -13   24   22 o   43.075   1.0392  1800.98   84.457  1831.84  137.126  1782.12  107.204   43.355   1.6293   42.795   1.2905 0.5599861 2.078482 
1 1 1  -13   24   23 f   18.100   2.3682  321.690   83.208   0.0000   0.0000  321.690   83.208  ?   ?    18.100   2.3682      ?      ? 
1 1 1  -13   24   24 o   43.859   1.3263  1875.52  112.917   0.0000   0.0000  1875.52  112.917  ?   ?    43.859   1.3263      ?      ? 
1 1 1  -13   24   25 o   8.6946   3.3532   52.329   80.087   0.0000   0.0000   52.329   80.087  ?   ?    8.6946   3.3532      ?      ? 
1 1 1  -13   24   26 o   11.884   3.6133  146.587   90.759   0.0000   0.0000  146.587   90.759  ?   ?    11.884   3.6133      ?      ? 
1 1 1  -13   24   27 o   16.298   2.5372  308.442   75.314  205.891  133.889  355.911   91.092   13.780   4.4191   18.815   2.4940 -5.034931 5.074332 
1 1 1  -13   24   28 o   30.759   1.5096  949.373   86.198  932.695  143.833  958.720  107.676   30.412   2.4364   31.106   1.7833 -0.6934357 3.019258 
1 1 1  -13   24   29 o   9.2784   2.7406   43.205   82.262 -19.0422  141.908   74.709  100.955   8.9571   4.0003   9.5998   3.7474 -0.6426907 5.481301 
1 1 1  -13   24   30 o   17.942   2.6610  370.115   84.791  337.654  151.967  384.789  102.173   16.677   4.5622   19.206   2.7405 -2.528887 5.322063 
1 1 1  -13   24   31 o   10.901   3.0556  102.225   94.634  188.018  155.141   51.385  119.426   12.556   4.7078   9.2457   3.8966 3.310063 6.111228 
1 1 1  -13   25    1 o  141.822   1.0141 19537.86  279.169 19656.40  393.744 19418.03  395.873  142.255   1.4259  141.389   1.4424 0.8664398 2.028184 
1 1 1  -13   25    2 o  130.447   0.9853 16514.24  248.961 16329.16  340.222 16727.59  365.279  129.663   1.3517  131.230   1.4339 -1.566818 1.970589 
1 1 1  -13   25    3 o   66.476   0.6278  4289.69   80.944  4274.45  112.061  4306.33  117.044   66.353   0.8700   66.599   0.9053 -0.2461929 1.255622 
1 1 1  -13   25    4 o  114.754   0.8992 12782.89  199.840 12698.62  273.113 12879.99  293.186  114.350   1.2304  115.159   1.3115 -0.8091965 1.798325 
1 1 1  -13   25    5 o   59.251   0.5940  3393.32   68.112  3225.46   92.060  3596.34  101.245   57.640   0.8228   60.863   0.8570 -3.222969 1.187996 
1 1 1  -13   25    6 o   73.346   0.6651  5216.45   94.566  5098.32  129.894  5349.67  137.941   72.464   0.9234   74.227   0.9573 -1.763756 1.330114 
1 1 1  -13   25    7 f  202.273   1.5480 39767.60  607.427 39171.01  841.424 40416.88  877.794  200.695   2.1598  203.851   2.2183 -3.155685 3.096034 
1 1 1  -13   25    8 o   67.023   0.9945  4366.25  129.269  4434.25  179.861  4293.59  185.917   67.564   1.3714   66.481   1.4406 1.083099 1.988997 
1 1 1  -13   25    9 o   44.583   0.9970  1934.85   85.970  1982.56  117.517  1879.92  126.095   45.177   1.3400   43.988   1.4767 1.188728 1.994090 
1 1 1  -13   25   10 o   83.840   4.3073  6883.87  250.397  6879.52  254.663  7010.66  1373.90   84.140   1.5592   83.540   8.4722 0.6006088 8.614502 
1 1 1  -13   25   11 o   51.496   6.9152  3798.50  159.554  3831.86  160.782  1638.70  1293.61   62.806   1.3188   40.187   13.767 22.61932 13.83046 
1 1 1  -13   25   12 o   86.233   4.5083  6496.55  244.175  6449.48  247.188  8392.39  1568.75   81.461   1.5632   91.006   8.8801 -9.545235 9.016633 
1 1 1  -13   25   13 o   69.900   5.3237  5066.01  205.482  5073.65  207.790  4727.83  1382.52   72.253   1.4815   67.547   10.544 4.705200 10.64740 
1 1 1  -13   25   14 o  104.733   1.9148 10670.98  389.287 10670.98  389.287   0.0000   0.0000  104.733   1.9148  ?   ?       ?      ? 
1 1 1  -13   25   15 o   71.590   0.8836  5022.00  109.959  4884.04  207.255  5076.05  129.721   70.883   1.5063   72.297   0.9243 -1.414246 1.767252 
1 1 1  -13   25   16 o  122.356   1.5283 14580.58  362.957 14349.27  512.349 14813.62  514.254  121.379   2.1745  123.333   2.1480 -1.953484 3.056512 
1 1 1  -13   25   17 o   37.692   0.8140  1438.83   43.509  1295.79  106.315  1467.60   47.685   36.505   1.5003   38.879   0.6318 -2.374355 1.627929 
1 1 1  -13   25   18 o   35.102   0.9182  1188.29   42.021  1210.74  117.233  1184.98   45.013   35.271   1.7123   34.934   0.6638 0.3366089 1.836416 
1 1 1  -13   25   19 o   47.900   0.8140  2277.84   61.231  2149.05  132.844  2312.58   68.998   47.002   1.4560   48.799   0.7284 -1.797058 1.628043 
1 1 1  -13   25   20 o   23.767   1.4378  542.521   57.807  567.753  115.716  534.130   66.730   24.103   2.4732   23.430   1.4671 0.6726284 2.875606 
1 1 1  -13   25   21 o   29.827   1.1804  878.794   66.487  809.824  104.781  925.281   86.023   28.819   1.8730   30.834   1.4372 -2.014914 2.360841 
1 1 1  -13   25   22 o   18.242   1.9137  296.961   62.219  507.424  108.117  192.747   76.079   22.749   2.4484   13.736   2.9419 9.012164 3.827393 
1 1 1  -13   25   23 o   35.586   1.4138  1234.51   97.661   0.0000   0.0000  1234.51   97.661  ?   ?    35.586   1.4138      ?      ? 
1 1 1  -13   25   24 o   33.061   1.5328  1067.85   98.372   0.0000   0.0000  1067.85   98.372  ?   ?    33.061   1.5328      ?      ? 
1 1 1  -13   25   25 o   42.584   1.3142  1770.43  108.635   0.0000   0.0000  1770.43  108.635  ?   ?    42.584   1.3142      ?      ? 
1 1 1  -13   25   26 o   8.1258   3.3205   30.072   83.031   0.0000   0.0000   30.072   83.031  ?   ?    8.1258   3.3205      ?      ? 
1 1 1  -13   25   27 o   28.634   1.3442  814.297   73.562  808.224  114.198  818.604   96.174   28.487   2.0651   28.781   1.7214 -0.2944374 2.688495 
1 1 1  -13   25   28 o   11.891   2.7749   92.912   76.206  288.062  141.073   12.501   90.556   15.890   4.4151   7.8927   3.3626 7.997367 5.549816 
1 1 1  -13   25   29 o   8.3107   2.6192 -12.8014   78.754   0.5496  143.992 -18.4998   94.071   9.2767   4.0923   7.3447   3.2702 1.932054 5.238437 
1 1 1  -13   25   30 o   15.389   2.8588  246.566   85.538  417.762  148.457  161.487  104.657   18.847   4.1685   11.931   3.9133 6.915865 5.717531 
1 1 1  -13   26    1 o   29.784   2.1768  821.176   53.906  913.424  251.671  816.740   55.187   30.565   4.2418   29.003   0.9802 1.562208 4.353542 
1 1 1  -13   26    2 o   39.722   0.8562  1547.92   55.103  1560.85   62.711  1504.12  115.421   40.096   0.8057   39.348   1.5111 0.7484818 1.712489 
1 1 1  -13   26    3 o  121.558   0.9517 14347.43  224.155 14272.25  307.447 14432.75  327.511  121.221   1.3066  121.895   1.3841 -0.6745300 1.903383 
1 1 1  -13   26    4 o   87.985   0.7471  7522.16  127.471  7643.33  177.173  7392.13  183.538   88.722   1.0287   87.249   1.0837 1.472183 1.494206 
1 1 1  -13   26    5 o  105.769   0.8611 10869.16  176.594 10961.90  244.546 10768.09  255.282  106.242   1.1858  105.295   1.2490 0.9467621 1.722185 
1 1 1  -13   26    6 o   45.240   0.5777  1996.39   49.978  2044.80   65.721  1930.01   76.961   45.894   0.7377   44.585   0.8892 1.309101 1.155394 
1 1 1  -13   26    7 o  136.689   1.3750 18249.82  347.003 18445.76  430.176 17884.81  587.122  137.780   1.6084  135.599   2.2305 2.181412 2.749943 
1 1 1  -13   26    8 o  109.811   1.3295 11721.34  283.256 11680.43  393.810 11765.19  407.720  109.616   1.8508  110.007   1.9093 -0.3914566 2.659093 
1 1 1  -13   26    9 o   40.473   8.1396  1780.74  646.003  1919.26  768.076  1445.86  1194.24   42.765   9.4993   38.181   13.220 4.583721 16.27912 
1 1 1  -13   26   10 o   43.238   6.4701  2920.80  142.280  2952.47  143.204  488.601  1254.97   55.130   1.3381   31.347   12.871 23.78296 12.94021 
1 1 1  -13   26   11 o  134.552   3.5669 18059.79  545.203 18120.60  573.757 17494.08  1750.05  136.467   2.1659  132.637   6.7970 3.829727 7.133749 
1 1 1  -13   26   12 o   61.031   7.2402  5073.99  203.375  5119.40  205.355  2753.87  1467.83   72.580   1.4576   49.483   14.407 23.09618 14.48046 
1 1 1  -13   26   13 o  113.129   2.0294 12453.23  445.656 12453.23  445.656   0.0000   0.0000  113.129   2.0294  ?   ?       ?      ? 
1 1 1  -13   26   14 f   76.727   1.5286  5722.57  227.678  5722.57  227.678   0.0000   0.0000   76.727   1.5286  ?   ?       ?      ? 
1 1 1  -13   26   15 o   26.191   1.9535  667.599   99.321  667.599   99.321   0.0000   0.0000   26.191   1.9535  ?   ?       ?      ? 
1 1 1  -13   26   16 o   93.332   1.0497  8546.47  178.001  8246.63  309.785  8694.26  217.489   92.071   1.7333   94.594   1.1844 -2.523819 2.099334 
1 1 1  -13   26   17 o   83.233   0.9706  6734.44  142.236  6737.69  264.349  6733.12  168.745   83.218   1.6364   83.249   1.0442 -0.3105927E-01 1.941206 
1 1 1  -13   26   18 o   60.946   0.8500  3692.12   85.554  3453.61  172.607  3769.81   98.506   59.590   1.4922   62.303   0.8145 -2.713318 1.700004 
1 1 1  -13   26   19 o   81.624   0.9496  6527.16  138.675  6356.60  248.919  6603.92  166.990   80.812   1.5868   82.436   1.0435 -1.623604 1.899169 
1 1 1  -13   26   20 o   69.361   1.0156  4697.05  135.369  4561.37  204.932  4802.09  180.306   68.457   1.5422   70.266   1.3219 -1.809479 2.031174 
1 1 1  -13   26   21 o   23.164   1.5258  494.395   64.061  607.884  117.908  446.861   76.307   24.923   2.4372   21.406   1.8363 3.516058 3.051546 
1 1 1  -13   26   22 o   41.103   0.9732  1636.80   76.452  1695.10  119.985  1596.94   99.195   41.704   1.4821   40.501   1.2617 1.202248 1.946432 
1 1 1  -13   26   23 f   9.8750   2.4376   86.377   57.992  106.901   82.315   66.151   81.714   10.547   3.4711   9.2032   3.4234 1.343526 4.875257 
1 1 1  -13   26   24 o   23.162   1.8893  526.257   84.945   0.0000   0.0000  526.257   84.945  ?   ?    23.162   1.8893      ?      ? 
1 1 1  -13   26   25 o   32.479   1.5331  1032.74   96.658   0.0000   0.0000  1032.74   96.658  ?   ?    32.479   1.5331      ?      ? 
1 1 1  -13   26   26 o   20.751   2.2134  428.295   89.157   0.0000   0.0000  428.295   89.157  ?   ?    20.751   2.2134      ?      ? 
1 1 1  -13   26   27 o   21.013   2.2667  442.301   92.461   0.0000   0.0000  442.301   92.461  ?   ?    21.013   2.2667      ?      ? 
1 1 1  -13   26   28 o   31.023   1.5321  972.887   83.746  951.195  153.742  982.039   99.862   30.549   2.5926   31.497   1.6333 -0.9481678 3.064186 
1 1 1  -13   26   29 o   18.071   2.5788  329.166   82.441  480.393  150.760  264.653   98.468   20.648   3.9044   15.494   3.3699 5.154311 5.157546 
1 1 1  -13   26   30 o   15.302   2.9677  256.912   89.152  393.717  151.726  184.773  110.178   18.024   4.3795   12.579   4.0061 5.445509 5.935445 
1 1 1  -13   27    1 o  153.011   1.0640 22744.71  315.948 22702.25  441.225 22789.41  452.630  152.866   1.4869  153.156   1.5225 -0.2896729 2.128084 
1 1 1  -13   27    2 f  111.918   0.9979 12085.90  210.452 12502.77  344.173 11836.95  265.969  113.438   1.5630  110.398   1.2411 3.040634 1.995800 
1 1 1  -13   27    3 o   44.764   0.7729  1912.77   58.315  1880.23   67.151  2012.57  117.607   44.008   0.7861   45.519   1.3310 -1.511204 1.545779 
1 1 1  -13   27    4 o   24.403   0.6438  570.737   30.297  508.182   40.223  652.767   46.061   22.878   0.9057   25.929   0.9151 -3.050976 1.287561 
1 1 1  -13   27    5 o   82.503   0.9134  6598.39  134.546  6578.57  161.130  6644.04  244.531   82.310   1.0085   82.695   1.5233 -0.3852921 1.826869 
1 1 1  -13   27    6 o  144.400   1.0814 20221.95  301.551 19905.99  404.885 20615.52  451.891  143.143   1.4571  145.658   1.5982 -2.514832 2.162755 
1 1 1  -13   27    7 o   91.831   1.0339  8153.40  171.698  8084.98  207.533  8301.84  305.664   91.239   1.1718   92.422   1.7037 -1.182640 2.067790 
1 1 1  -13   27    8 o   73.556   1.0249  5254.68  146.267  5195.00  203.258  5318.78  210.644   73.124   1.4319   73.988   1.4666 -0.8642197 2.049752 
1 1 1  -13   27    9 o   48.664   0.9519  2300.11   89.915  2254.81  126.247  2346.74  128.090   48.177   1.3499   49.150   1.3425 -0.9725533 1.903874 
1 1 1  -13   27   10 o   78.485   4.1851  5596.53  215.692  5567.04  218.726  6637.52  1299.57   75.691   1.4886   81.280   8.2367 -5.588310 8.370131 
1 1 1  -13   27   11 o   63.307   5.9636  4564.74  181.291  4583.65  183.116  3629.79  1287.43   68.683   1.3735   57.932   11.848 10.75100 11.92727 
1 1 1  -13   27   12 o   74.991   1.4665  5465.41  213.480  5465.41  213.480   0.0000   0.0000   74.991   1.4665  ?   ?       ?      ? 
1 1 1  -13   27   13 o  112.378   2.0112 12288.90  438.726 12288.90  438.726   0.0000   0.0000  112.378   2.0112  ?   ?       ?      ? 
1 1 1  -13   27   14 o   18.597   2.3685  336.943   85.502  336.943   85.502   0.0000   0.0000   18.597   2.3685  ?   ?       ?      ? 
1 1 1  -13   27   15 o   33.393   1.5891  1084.29  103.008  1084.29  103.008   0.0000   0.0000   33.393   1.5891  ?   ?       ?      ? 
1 1 1  -13   27   16 o  134.935   1.4879 17832.51  374.890 17375.51  617.563 18099.19  471.758  133.490   2.3832  136.380   1.7820 -2.889938 2.975775 
1 1 1  -13   27   17 o   94.523   1.2277  8705.54  224.917  8504.18  325.031  8890.56  311.558   93.464   1.7915   95.582   1.6792 -2.117043 2.455424 
1 1 1  -13   27   18 o   42.527   0.7929  1701.30   47.743  1840.91  122.422  1676.26   51.848   43.504   1.4496   41.549   0.6428 1.955341 1.585777 
1 1 1  -13   27   19 o   17.161   1.9000  292.095   32.572  295.070  117.297  291.846   33.906   16.992   3.6639   17.331   1.0078 -0.3382721 3.799951 
1 1 1  -13   27   20 o   60.905   0.9131  3622.04  107.177  3478.59  159.691  3739.63  144.576   59.795   1.3758   62.016   1.2010 -2.220562 1.826222 
1 1 1  -13   27   21 o   72.919   1.0558  5181.33  148.444  5154.98  222.875  5202.33  199.010   72.738   1.5785   73.101   1.4025 -0.3629227 2.111506 
1 1 1  -13   27   22 o   12.300   2.5485  154.829   61.134  133.949  116.588  162.747   71.797   12.013   4.1323   12.587   2.9839 -0.5745850 5.096974 
1 1 1  -13   27   23 o   7.8690   2.4091  -5.0156   65.232 -18.5267  110.789   2.1540   80.705   8.2883   3.6248   7.4497   3.1742 0.8386240 4.818144 
1 1 1  -13   27   24 o   28.839   1.5913  813.724   89.086   0.0000   0.0000  813.724   89.086  ?   ?    28.839   1.5913      ?      ? 
1 1 1  -13   27   25 o   16.604   2.7032  275.549   87.132   0.0000   0.0000  275.549   87.132  ?   ?    16.604   2.7032      ?      ? 
1 1 1  -13   27   26 o   30.272   1.5944  901.797   93.692   0.0000   0.0000  901.797   93.692  ?   ?    30.272   1.5944      ?      ? 
1 1 1  -13   27   27 o   31.361   1.5923  969.853   96.934   0.0000   0.0000  969.853   96.934  ?   ?    31.361   1.5923      ?      ? 
1 1 1  -13   27   28 o   36.110   1.3810  1333.30   89.236  1222.43  156.798  1386.42  108.526   34.755   2.3242   37.466   1.4922 -2.711620 2.761953 
1 1 1  -13   27   29 o   14.379   2.8963  247.085   83.264  201.887  149.985  267.221  100.108   13.242   4.6782   15.516   3.4161 -2.274261 5.792698 
1 1 1  -13   27   30 o   9.3943   2.8642   36.154   90.300   69.360  155.419   19.232  110.948   10.341   4.4054   8.4477   3.6617 1.893232 5.728497 
1 1 1  -13   28    1 o   80.906   0.8521  6413.55  128.456  6153.11  211.827  6565.03  161.550   79.588   1.3711   82.224   1.0121 -2.636650 1.704214 
1 1 1  -13   28    2 o   74.075   0.6736  5327.02   96.853  5431.58  137.907  5225.26  136.053   74.793   0.9499   73.358   0.9554 1.434425 1.347245 
1 1 1  -13   28    3 o   44.710   0.8478  1902.82   67.061  1850.11   79.311  2035.03  125.605   43.651   0.9360   45.769   1.4137 -2.118084 1.695502 
1 1 1  -13   28    4 o   91.679   0.7855  8163.31  139.768  8288.98  197.380  8036.92  197.945   92.388   1.1006   90.971   1.1209 1.416489 1.570911 
1 1 1  -13   28    5 o   53.291   0.7402  2751.22   70.067  2774.07  128.542  2741.56   83.575   53.442   1.2391   53.139   0.8102 0.3031921 1.480447 
1 1 1  -13   28    6 o   68.277   0.8474  4539.65  103.115  4557.98  123.536  4497.54  187.236   68.514   0.9289   68.039   1.4176 0.4744492 1.694832 
1 1 1  -13   28    7 o   90.961   1.1764  8043.06  207.682  8181.13  292.609  7902.89  294.817   91.749   1.6429   90.172   1.6843 1.576767 2.352875 
1 1 1  -13   28    8 o  109.673   1.3170 11696.08  280.338 11869.97  395.136 11519.84  397.792  110.496   1.8422  108.850   1.8826 1.645866 2.633993 
1 1 1  -13   28    9 o   90.982   1.1647  8047.61  205.650  8151.47  288.572  7940.42  293.146   91.581   1.6232   90.384   1.6708 1.197021 2.329497 
1 1 1  -13   28   10 o  103.309   3.2995  9953.70  335.822  9870.06  347.506 11135.11  1306.07  100.749   1.7769  105.868   6.3553 -5.119003 6.599034 
1 1 1  -13   28   11 o   69.060   1.4271  4634.78  191.314  4634.78  191.314   0.0000   0.0000   69.060   1.4271  ?   ?       ?      ? 
1 1 1  -13   28   12 o   63.722   1.3624  3945.70  168.518  3945.70  168.518   0.0000   0.0000   63.722   1.3624  ?   ?       ?      ? 
1 1 1  -13   28   13 o   73.446   1.4758  5243.22  210.402  5243.22  210.402   0.0000   0.0000   73.446   1.4758  ?   ?       ?      ? 
1 1 1  -13   28   14 o   20.321   2.2549  402.247   88.948  402.247   88.948   0.0000   0.0000   20.321   2.2549  ?   ?       ?      ? 
1 1 1  -13   28   15 o   61.148   1.4222  3634.74  168.811  3634.74  168.811   0.0000   0.0000   61.148   1.4222  ?   ?       ?      ? 
1 1 1  -13   28   16 o   69.932   1.5564  4756.93  211.283  4756.93  211.283   0.0000   0.0000   69.932   1.5564  ?   ?       ?      ? 
1 1 1  -13   28   17 o   56.057   0.8116  3070.09   71.822  3025.38  156.462  3082.03   80.843   55.777   1.4451   56.337   0.7392 -0.5597725 1.623180 
1 1 1  -13   28   18 o   15.936   1.7247  238.659   26.131  269.407  101.696  236.485   27.039   16.271   3.3320   15.602   0.8928 0.6682405 3.449499 
1 1 1  -13   28   19 o   84.971   0.9907  6980.90  147.333  7122.41  277.884  6925.56  173.767   85.525   1.6738   84.417   1.0604 1.108688 1.981435 
1 1 1  -13   28   20 o   99.832   1.2906  9713.87  249.457  9749.00  366.510  9683.55  340.496   99.984   1.8884   99.679   1.7597 0.3051071 2.581200 
1 1 1  -13   28   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   28   22 o   41.961   0.9981  1745.63   75.961  1632.42  131.459  1802.38   93.071   40.888   1.6563   43.034   1.1141 -2.146431 1.996125 
1 1 1  -13   28   23 o   22.705   1.6937  544.943   62.250  440.080  123.516  580.645   72.072   21.029   3.0258   24.381   1.5228 -3.352119 3.387442 
1 1 1  -13   28   24 o   6.4407   2.8567 -21.9004   71.105   0.0000   0.0000 -21.9004   71.105  ?   ?    6.4407   2.8567      ?      ? 
1 1 1  -13   28   25 o   66.331   1.3769  4307.25  177.293   0.0000   0.0000  4307.25  177.293  ?   ?    66.331   1.3769      ?      ? 
1 1 1  -13   28   26 o   21.996   2.1180  482.100   90.435   0.0000   0.0000  482.100   90.435  ?   ?    21.996   2.1180      ?      ? 
1 1 1  -13   28   27 o   5.2232   2.5507 -148.7200   85.053   0.0000   0.0000 -148.7200   85.053  ?   ?    5.2232   2.5507      ?      ? 
1 1 1  -13   28   28 o   17.564   2.5336  392.718   77.166  210.268  142.306  468.711   91.841   13.581   4.5667   21.546   2.1958 -7.965170 5.067210 
1 1 1  -13   28   29 o   15.110   2.7536  210.469   80.421  449.899  150.251  114.334   95.207   19.740   4.0567   10.481   3.7246 9.259010 5.507246 
1 1 1  -13   28   30 o   21.370   2.5200  540.660   89.290  450.243  162.656  579.659  106.825   19.069   4.4717   23.671   2.3248 -4.602407 5.039930 
1 1 1  -13   29    1 o  149.109   1.1619 21568.49  329.178 21418.06  423.411 21798.34  523.375  148.472   1.4691  149.745   1.8005 -1.273026 2.323805 
1 1 1  -13   29    2 o   27.797   0.6654  752.021   35.704  768.003   48.306  732.776   53.008   28.124   0.8848   27.470   0.9940 0.6539173 1.330802 
1 1 1  -13   29    3 o   41.194   0.5484  1649.88   43.705  1679.61   59.745  1615.67   64.100   41.594   0.7400   40.793   0.8095 0.8004303 1.096719 
1 1 1  -13   29    4 o  126.558   1.1162 15554.48  269.784 15621.33  421.486 15508.08  351.140  126.774   1.7127  126.341   1.4318 0.4332962 2.232339 
1 1 1  -13   29    5 o  113.335   1.1620 12263.98  230.189 11989.55  270.323 12987.89  439.041  111.101   1.2534  115.570   1.9570 -4.469131 2.324012 
1 1 1  -13   29    6 o  174.495   1.6704 29715.63  545.877 29949.90  688.386 29318.76  895.988  175.488   2.0208  173.502   2.6603 1.985718 3.340786 
1 1 1  -13   29    7 o   65.232   0.9905  4133.59  125.411  4163.44  178.952  4104.77  175.807   65.463   1.4082   65.001   1.3933 0.4622040 1.981029 
1 1 1  -13   29    8 o   14.004   2.4277  199.025   65.307  198.523   88.486  199.625   96.788   13.983   3.3111   14.026   3.5514 -0.4249382E-01 4.855464 
1 1 1  -13   29    9 o   88.416   1.1796  7598.37  202.432  7485.09  283.944  7715.45  288.679   87.746   1.6670   89.086   1.6693 -1.339821 2.359150 
1 1 1  -13   29   10 o   66.209   1.4336  4260.03  184.255  4260.03  184.255   0.0000   0.0000   66.209   1.4336  ?   ?       ?      ? 
1 1 1  -13   29   11 o   87.217   1.6580  7395.64  280.696  7395.64  280.696   0.0000   0.0000   87.217   1.6580  ?   ?       ?      ? 
1 1 1  -13   29   12 o  127.076   2.2490 15724.69  554.782 15724.69  554.782   0.0000   0.0000  127.076   2.2490  ?   ?       ?      ? 
1 1 1  -13   29   13 o   82.645   1.6024  6641.15  257.075  6641.15  257.075   0.0000   0.0000   82.645   1.6024  ?   ?       ?      ? 
1 1 1  -13   29   14 o   56.215   1.4023  3071.72  153.023  3071.72  153.023   0.0000   0.0000   56.215   1.4023  ?   ?       ?      ? 
1 1 1  -13   29   15 o   15.369   3.6649  240.993  107.799  240.993  107.799   0.0000   0.0000   15.369   3.6649  ?   ?       ?      ? 
1 1 1  -13   29   16 o   51.855   1.4982  2615.38  150.809  2615.38  150.809   0.0000   0.0000   51.855   1.4982  ?   ?       ?      ? 
1 1 1  -13   29   17 o   49.124   1.3618  2346.52  129.857  2346.52  129.857   0.0000   0.0000   49.124   1.3618  ?   ?       ?      ? 
1 1 1  -13   29   18 o   30.625   1.0932  959.459   33.253  859.453  121.711  967.526   34.568   29.684   2.1123   31.567   0.5641 -1.883707 2.186304 
1 1 1  -13   29   19 o   42.125   0.8025  1705.79   59.697  1771.42  111.400  1679.35   70.706   42.674   1.3448   41.576   0.8761 1.097122 1.605003 
1 1 1  -13   29   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   29   21 f   34.278   1.1196  1170.89   62.556  1099.93  128.636  1192.87   71.592   33.536   1.9760   35.019   1.0531 -1.483513 2.239140 
1 1 1  -13   29   22 o   57.607   0.9459  3273.02  103.472  3032.13  160.756  3443.40  135.203   55.747   1.4855   59.466   1.1712 -3.719048 1.891715 
1 1 1  -13   29   23 o   9.7942   2.2106   96.307   54.712 -44.5652  105.546  148.071   63.980   7.6095   3.4204   11.979   2.8015 -4.369250 4.421204 
1 1 1  -13   29   24 o   29.725   1.0792  884.749   60.106  779.201   95.182  954.755   77.517   28.179   1.7400   31.271   1.2770 -3.091934 2.158350 
1 1 1  -13   29   25 o   30.038   1.4076  884.357   82.074   0.0000   0.0000  884.357   82.074  ?   ?    30.038   1.4076      ?      ? 
1 1 1  -13   29   26 o   36.319   1.3133  1294.05   92.593   0.0000   0.0000  1294.05   92.593  ?   ?    36.319   1.3133      ?      ? 
1 1 1  -13   29   27 o   18.870   2.2331  358.003   81.800   0.0000   0.0000  358.003   81.800  ?   ?    18.870   2.2331      ?      ? 
1 1 1  -13   29   28 o   17.895   2.5320  417.580   74.241  222.704  147.186  484.080   85.980   13.846   4.6444   21.944   2.0184 -8.098698 5.064046 
1 1 1  -13   29   29 o   10.627   2.8695  107.087   75.610  119.553  147.339  102.631   88.094   11.259   4.4859   9.9963   3.5795 1.262265 5.739029 
1 1 1  -13   30    1 o   79.683   0.8777  6255.60  129.116  6468.10  161.069  5873.56  215.973   81.613   1.0167   77.753   1.4309 3.860558 1.755340 
1 1 1  -13   30    2 o   68.627   0.7466  4575.98   96.385  4583.32  122.127  4563.85  156.952   68.704   0.9157   68.549   1.1795 0.1553040 1.493245 
1 1 1  -13   30    3 o   49.526   0.5715  2369.34   54.626  2276.48   72.832  2488.75   82.589   48.423   0.7748   50.629   0.8404 -2.205933 1.143048 
1 1 1  -13   30    4 o  137.961   1.1101 18447.83  295.266 18100.47  393.473 18895.57  446.713  136.488   1.4851  139.435   1.6504 -2.947830 2.220220 
1 1 1  -13   30    5 o   82.830   1.0375  6633.67  164.842  6463.53  215.815  6871.95  255.394   81.568   1.3630   84.093   1.5645 -2.525337 2.074988 
1 1 1  -13   30    6 o  159.356   1.5565 24758.14  463.469 24893.29  582.250 24524.42  765.683  160.005   1.8746  158.707   2.4853 1.297745 3.113055 
1 1 1  -13   30    7 o   54.659   1.0113  2903.34  107.247  2914.45  149.473  2891.54  153.968   54.768   1.4060   54.550   1.4540 0.2176971 2.022601 
1 1 1  -13   30    8 o   57.935   0.9647  3261.33  108.488  3299.60  153.650  3223.28  153.202   58.274   1.3583   57.596   1.3703 0.6783867 1.929406 
1 1 1  -13   30    9 o   93.709   1.2319  8539.06  224.058  8554.18  314.481  8523.46  319.305   93.795   1.7272   93.623   1.7569 0.1715240 2.463777 
1 1 1  -13   30   10 o   40.339   1.5324  1581.66  119.995  1581.66  119.995   0.0000   0.0000   40.339   1.5324  ?   ?       ?      ? 
1 1 1  -13   30   11 o   74.753   1.5270  5431.76  221.577  5431.76  221.577   0.0000   0.0000   74.753   1.5270  ?   ?       ?      ? 
1 1 1  -13   30   12 o  108.550   1.9792 11467.06  417.039 11467.06  417.039   0.0000   0.0000  108.550   1.9792  ?   ?       ?      ? 
1 1 1  -13   30   13 o   59.560   1.4500  3448.31  167.638  3448.31  167.638   0.0000   0.0000   59.560   1.4500  ?   ?       ?      ? 
1 1 1  -13   30   14 o   69.850   1.5111  4744.00  204.896  4744.00  204.896   0.0000   0.0000   69.850   1.5111  ?   ?       ?      ? 
1 1 1  -13   30   15 o   49.885   1.4602  2420.05  141.399  2420.05  141.399   0.0000   0.0000   49.885   1.4602  ?   ?       ?      ? 
1 1 1  -13   30   16 o   65.222   1.4284  4136.60  180.847  4136.60  180.847   0.0000   0.0000   65.222   1.4284  ?   ?       ?      ? 
1 1 1  -13   30   17 o   44.799   1.5383  1953.13  133.778  1953.13  133.778   0.0000   0.0000   44.799   1.5383  ?   ?       ?      ? 
1 1 1  -13   30   18 o   37.994   0.9194  1386.28   52.245  1431.45  123.624  1376.46   57.645   38.343   1.6609   37.645   0.7888 0.6978989 1.838734 
1 1 1  -13   30   19 o   53.823   0.8475  2849.69   69.134  2764.69  158.320  2869.71   76.848   53.290   1.5305   54.356   0.7283 -1.066925 1.694933 
1 1 1  -13   30   20 o  100.775   1.1331  9904.06  204.576  9885.03  368.552  9912.54  245.944  100.623   1.8868  100.928   1.2553 -0.3046112 2.266290 
1 1 1  -13   30   21 o   22.131   1.5021  454.062   50.520  522.547  119.937  439.290   55.703   23.028   2.6830   21.233   1.3514 1.794867 3.004165 
1 1 1  -13   30   22 o   69.678   1.0391  4750.98  137.670  4675.47  216.868  4801.94  178.175   69.172   1.6151   70.183   1.3078 -1.010506 2.078206 
1 1 1  -13   30   23 o   42.745   1.0453  1867.71   77.650  1595.40  141.033  1986.16   93.019   40.335   1.8012   45.156   1.0612 -4.820522 2.090595 
1 1 1  -13   30   24 o   59.674   0.9795  3525.32  110.552  3281.03  173.936  3690.89  143.197   57.861   1.5486   61.487   1.1997 -3.626007 1.958950 
1 1 1  -13   30   25 o   50.939   1.1540  2536.49  114.106   0.0000   0.0000  2536.49  114.106  ?   ?    50.939   1.1540      ?      ? 
1 1 1  -13   30   26 o   10.869   3.0115  124.994   65.728   0.0000   0.0000  124.994   65.728  ?   ?    10.869   3.0115      ?      ? 
1 1 1  -13   30   27 o   26.253   1.6552  683.086   84.353   0.0000   0.0000  683.086   84.353  ?   ?    26.253   1.6552      ?      ? 
1 1 1  -13   30   28 o   20.428   2.1578  431.561   70.876  468.728  145.188  419.933   81.210   20.447   3.7978   20.410   2.0497 0.3601646E-01 4.315653 
1 1 1  -13   30   29 o   14.361   2.7713  233.542   72.709  261.729  143.431  223.794   84.350   14.532   4.5642   14.191   3.1447 0.3411283 5.542664 
1 1 1  -13   31    1 o  110.882   0.8793 11942.91  189.256 12066.36  268.071 11820.24  267.228  111.454   1.2391  110.311   1.2480 1.143188 1.758591 
1 1 1  -13   31    2 o   52.240   0.9246  2654.42   93.630  2732.49  130.239  2570.90  134.699   53.037   1.2650   51.442   1.3489 1.595066 1.849269 
1 1 1  -13   31    3 o  140.305   1.1423 19138.98  303.614 19162.24  389.152 19102.81  485.365  140.435   1.4275  140.175   1.7837 0.2597046 2.284628 
1 1 1  -13   31    4 o  105.835   1.1086 10924.63  206.618 10978.54  245.478 10793.64  382.659  106.314   1.1895  105.357   1.8711 0.9575424 2.217134 
1 1 1  -13   31    5 o   65.936   0.8721  4248.00   98.225  4275.72  114.573  4171.09  190.804   66.358   0.8895   65.514   1.5003 0.8435059 1.744167 
1 1 1  -13   31    6 o   39.197   0.8406  1470.96   53.098  1454.29   60.005  1531.14  113.994   38.701   0.7987   39.693   1.4795 -0.9914589 1.681299 
1 1 1  -13   31    7 o   49.428   1.0242  2373.76   98.230  2468.99  140.001  2281.43  137.859   50.405   1.4308   48.451   1.4658 1.953762 2.048365 
1 1 1  -13   31    8 o   47.034   1.0182  2149.41   92.695  2144.00  126.322  2155.73  136.443   46.972   1.3854   47.096   1.4925 -0.1238708 2.036359 
1 1 1  -13   31    9 o   66.012   0.9813  4234.14  125.745  4270.17  179.011  4199.05  176.672   66.289   1.3911   65.735   1.3845 0.5540314 1.962699 
1 1 1  -13   31   10 o   78.514   1.5606  5992.53  237.848  5992.53  237.848   0.0000   0.0000   78.514   1.5606  ?   ?       ?      ? 
1 1 1  -13   31   11 o   95.463   1.7936  8864.26  332.366  8864.26  332.366   0.0000   0.0000   95.463   1.7936  ?   ?       ?      ? 
1 1 1  -13   31   12 o   31.936   1.8390  992.296  114.004  992.296  114.004   0.0000   0.0000   31.936   1.8390  ?   ?       ?      ? 
1 1 1  -13   31   13 o   31.805   1.9138  984.552  118.153  984.552  118.153   0.0000   0.0000   31.805   1.9138  ?   ?       ?      ? 
1 1 1  -13   31   14 o   68.309   1.5078  4537.71  199.932  4537.71  199.932   0.0000   0.0000   68.309   1.5078  ?   ?       ?      ? 
1 1 1  -13   31   15 o   30.329   1.7649  895.372  103.908  895.372  103.908   0.0000   0.0000   30.329   1.7649  ?   ?       ?      ? 
1 1 1  -13   31   16 o   11.623   3.8777  126.018  102.601  126.018  102.601   0.0000   0.0000   11.623   3.8777  ?   ?       ?      ? 
1 1 1  -13   31   17 o   27.855   2.2472  757.314  121.510  757.314  121.510   0.0000   0.0000   27.855   2.2472  ?   ?       ?      ? 
1 1 1  -13   31   18 o   40.457   1.4872  1592.95  116.796  1592.95  116.796   0.0000   0.0000   40.457   1.4872  ?   ?       ?      ? 
1 1 1  -13   31   19 o   19.752   1.6168  377.210   26.271  386.281  121.363  376.764   26.909   19.809   3.1561   19.695   0.7038 0.1140385 3.233617 
1 1 1  -13   31   20 o   70.781   1.0215  4911.33  138.372  4692.53  211.715  5074.48  182.824   69.371   1.5722   72.191   1.3046 -2.820091 2.042997 
1 1 1  -13   31   21 o   63.025   0.9233  3882.61  111.527  3789.80  170.840  3951.53  147.226   62.346   1.4116   63.704   1.1906 -1.358006 1.846656 
1 1 1  -13   31   22 o   17.881   2.0958  378.019   50.527  247.173  118.210  407.268   55.890   15.336   3.9475   20.427   1.4095 -5.091083 4.191646 
1 1 1  -13   31   23 o   86.181   1.1750  7290.19  195.518  7138.71  290.264  7415.99  264.533   85.315   1.7527   87.048   1.5655 -1.732529 2.350052 
1 1 1  -13   31   24 o   17.252   2.2331  373.520   56.369  203.761  121.479  420.102   63.635   13.819   4.1756   20.686   1.5847 -6.866728 4.466247 
1 1 1  -13   31   25 o   46.581   0.9630  2118.51   82.544  2162.30  141.950  2096.14  101.463   46.864   1.5604   46.298   1.1290 0.5659103 1.925966 
1 1 1  -13   31   26 o   37.922   1.1511  1407.98   84.734   0.0000   0.0000  1407.98   84.734  ?   ?    37.922   1.1511      ?      ? 
1 1 1  -13   31   27 f   9.3968   3.2630   87.611   72.780   0.0000   0.0000   87.611   72.780  ?   ?    9.3968   3.2630      ?      ? 
1 1 1  -13   31   28 o   19.418   2.0204  348.148   68.617  512.932  138.027  294.056   79.081   21.898   3.2471   16.938   2.4051 4.959930 4.040832 
1 1 1  -13   31   29 o   13.226   2.6446  225.845   71.415  114.269  149.738  258.697   81.251   11.024   4.4767   15.429   2.8167 -4.404801 5.289099 
1 1 1  -13   32    1 o   60.444   0.9547  3548.37  111.941  3512.82  155.081  3587.05  161.745   60.129   1.3287   60.759   1.3714 -0.6298981 1.909454 
1 1 1  -13   32    2 o   70.183   0.6554  4782.64   89.285  4734.85  125.342  4831.88  127.216   69.827   0.9247   70.539   0.9291 -0.7116776 1.310824 
1 1 1  -13   32    3 o   66.923   0.9820  4354.51  127.357  4399.10  175.594  4305.02  184.993   67.287   1.3443   66.559   1.4318 0.7281799 1.964010 
1 1 1  -13   32    4 o  112.228   1.2645 12236.36  275.478 12236.36  275.478   0.0000   0.0000  112.228   1.2645  ?   ?       ?      ? 
1 1 1  -13   32    5 f   38.741   0.8457  1460.63   50.228  1462.32   55.942  1453.59  114.077   38.809   0.7426   38.672   1.5196 0.1365509 1.691342 
1 1 1  -13   32    6 o  136.915   1.4837 18263.94  371.583 18305.72  455.180 18180.46  643.361  137.211   1.7089  136.618   2.4259 0.5932922 2.967441 
1 1 1  -13   32    7 o   55.593   1.3891  3003.21  149.903   0.0000   0.0000  3003.21  149.903  ?   ?    55.593   1.3891      ?      ? 
1 1 1  -13   32    8 o   61.136   1.0182  3632.26  120.750  3629.07  167.507  3635.70  174.224   61.110   1.4121   61.162   1.4674 -0.5276489E-01 2.036495 
1 1 1  -13   32    9 o  127.079   1.5933 15710.69  392.815 15309.61  544.266 16146.76  567.513  125.391   2.2360  128.767   2.2704 -3.376221 3.186645 
1 1 1  -13   32   10 o   47.141   1.4040  2159.75  128.479  2159.75  128.479   0.0000   0.0000   47.141   1.4040  ?   ?       ?      ? 
1 1 1  -13   32   11 o   23.184   2.4010  523.818  108.056  523.818  108.056   0.0000   0.0000   23.184   2.4010  ?   ?       ?      ? 
1 1 1  -13   32   12 o   36.741   1.7042  1313.06  121.543  1313.06  121.543   0.0000   0.0000   36.741   1.7042  ?   ?       ?      ? 
1 1 1  -13   32   13 o   43.573   1.5216  1846.31  128.700  1846.31  128.700   0.0000   0.0000   43.573   1.5216  ?   ?       ?      ? 
1 1 1  -13   32   14 o   91.705   1.7300  8185.33  307.973  8185.33  307.973   0.0000   0.0000   91.705   1.7300  ?   ?       ?      ? 
1 1 1  -13   32   15 o   91.861   1.7354  8213.62  309.460  8213.62  309.460   0.0000   0.0000   91.861   1.7354  ?   ?       ?      ? 
1 1 1  -13   32   16 o   20.979   2.9538  431.392  120.290  431.392  120.290   0.0000   0.0000   20.979   2.9538  ?   ?       ?      ? 
1 1 1  -13   32   17 o   20.319   2.6298  403.897  103.728  403.897  103.728   0.0000   0.0000   20.319   2.6298  ?   ?       ?      ? 
1 1 1  -13   32   18 o   25.917   2.4026  656.860  120.877  656.860  120.877   0.0000   0.0000   25.917   2.4026  ?   ?       ?      ? 
1 1 1  -13   32   19 o   64.603   0.8563  4091.62   92.926  3997.77  184.895  4123.34  107.488   64.064   1.4868   65.141   0.8500 -1.076569 1.712616 
1 1 1  -13   32   20 o   49.716   0.9761  2404.12   81.924  2417.33  162.928  2399.64   94.777   49.759   1.6868   49.673   0.9829 0.8593750E-01 1.952272 
1 1 1  -13   32   21 o   47.443   0.9909  2225.81   80.338  2130.48  154.811  2260.94   93.983   46.682   1.7084   48.204   1.0044 -1.522083 1.981771 
1 1 1  -13   32   22 o   38.744   0.9750  1481.11   64.366  1432.61  124.921  1498.65   75.104   38.252   1.6823   39.236   0.9861 -0.9835320 1.950033 
1 1 1  -13   32   23 o   20.372   1.4322  415.927   49.508  394.407   96.019  423.721   57.781   19.930   2.4820   20.814   1.4301 -0.8848171 2.864465 
1 1 1  -13   32   24 o   34.359   0.9481  1142.14   59.864  1199.89  103.960  1113.48   73.223   34.954   1.5322   33.765   1.1172 1.189560 1.896194 
1 1 1  -13   32   25 o   10.395   2.2777  115.300   51.561   75.730   86.097  137.429   64.384   9.3989   3.5105   11.390   2.9033 -1.991547 4.555465 
1 1 1  -13   32   26 o   25.863   1.4251  658.657   71.548   0.0000   0.0000  658.657   71.548  ?   ?    25.863   1.4251      ?      ? 
1 1 1  -13   32   27 o   12.622   2.8731  171.399   68.814   0.0000   0.0000  171.399   68.814  ?   ?    12.622   2.8731      ?      ? 
1 1 1  -13   32   28 o   24.639   1.6451  608.588   72.135  656.699  133.171  588.610   85.814   25.063   2.7372   24.214   1.8257 0.8489113 3.290184 
1 1 1  -13   32   29 o   13.496   2.8201  227.192   75.745  170.606  158.163  244.031   86.283   12.196   4.7099   14.797   3.1030 -2.600843 5.640198 
1 1 1  -13   33    1 f  102.537   0.8586 10210.58  170.859 10387.35  244.395 10041.58  238.960  103.404   1.2176  101.669   1.2108 1.735062 1.717113 
1 1 1  -13   33    2 o   88.841   0.9645  7687.56  154.477  7718.98  186.793  7619.58  274.770   89.147   1.0794   88.534   1.5988 0.6133804 1.929069 
1 1 1  -13   33    3 o   78.170   0.9110  5994.52  129.024  6101.20  157.251  5774.76  225.705   79.260   1.0221   77.081   1.5084 2.178429 1.822090 
1 1 1  -13   33    4 f  125.114   1.2529 15295.91  296.698 15565.17  381.370 14883.06  472.233  126.543   1.5525  123.684   1.9669 2.858917 2.505787 
1 1 1  -13   33    5 o   73.780   0.9920  5286.61  142.080  5286.61  142.080   0.0000   0.0000   73.780   0.9920  ?   ?       ?      ? 
1 1 1  -13   33    6 o   61.022   0.8350  3621.18   87.205  3625.55  101.692  3609.04  169.520   61.104   0.8573   60.940   1.4330 0.1643295 1.669914 
1 1 1  -13   33    7 o  133.705   1.6773 17408.77  435.272 17758.29  621.097 17071.43  610.182  135.024   2.3697  132.386   2.3744 2.637970 3.354553 
1 1 1  -13   33    8 o   48.768   1.0442  2315.25   98.501  2265.85  144.697  2357.91  134.468   48.279   1.5440   49.257   1.4063 -0.9774742 2.088440 
1 1 1  -13   33    9 o   41.184   1.3387  1648.22  107.024  1648.22  107.024   0.0000   0.0000   41.184   1.3387  ?   ?       ?      ? 
1 1 1  -13   33   10 o   63.877   1.3993  3965.83  173.514  3965.83  173.514   0.0000   0.0000   63.877   1.3993  ?   ?       ?      ? 
1 1 1  -13   33   11 o   83.704   1.6238  6813.83  263.841  6813.83  263.841   0.0000   0.0000   83.704   1.6238  ?   ?       ?      ? 
1 1 1  -13   33   12 o  130.067   2.3071 16490.62  582.502 16490.62  582.502   0.0000   0.0000  130.067   2.3071  ?   ?       ?      ? 
1 1 1  -13   33   13 o   28.598   1.7948  796.166   99.638  796.166   99.638   0.0000   0.0000   28.598   1.7948  ?   ?       ?      ? 
1 1 1  -13   33   14 o   35.927   1.5913  1255.69  110.976  1255.69  110.976   0.0000   0.0000   35.927   1.5913  ?   ?       ?      ? 
1 1 1  -13   33   15 o   36.635   1.8813  1307.70  133.788  1307.70  133.788   0.0000   0.0000   36.635   1.8813  ?   ?       ?      ? 
1 1 1  -13   33   16 o   61.754   1.5236  3710.97  182.644  3710.97  182.644   0.0000   0.0000   61.754   1.5236  ?   ?       ?      ? 
1 1 1  -13   33   17 o   31.919   1.6829  992.300  104.274  992.300  104.274   0.0000   0.0000   31.919   1.6829  ?   ?       ?      ? 
1 1 1  -13   33   18 o   38.447   1.7996  1441.36  134.309  1441.36  134.309   0.0000   0.0000   38.447   1.7996  ?   ?       ?      ? 
1 1 1  -13   33   19 o   44.027   1.6019  1890.33  136.901  1890.33  136.901   0.0000   0.0000   44.027   1.6019  ?   ?       ?      ? 
1 1 1  -13   33   20 o   88.854   1.0350  7740.95  163.752  7594.39  296.875  7805.03  196.317   88.160   1.7347   89.547   1.1294 -1.386810 2.069988 
1 1 1  -13   33   21 o   51.450   0.9636  2592.74   86.725  2558.38  162.274  2606.47  102.607   51.153   1.6342   51.747   1.0215 -0.5942192 1.927222 
1 1 1  -13   33   22 o   34.938   1.1593  1237.69   62.303  1125.33  137.333  1266.81   69.911   33.807   2.0927   36.068   0.9985 -2.261036 2.318695 
1 1 1  -13   33   23 o   33.486   1.2375  1203.54   62.534  941.327  135.276  1274.80   70.522   30.808   2.2620   36.164   1.0046 -5.355545 2.475037 
1 1 1  -13   33   24 o   13.573   2.3236  203.185   50.684  162.843  120.955  211.777   55.821   12.529   4.2102   14.616   1.9674 -2.086612 4.647243 
1 1 1  -13   33   25 o   29.268   1.3143  874.822   63.229  800.162  127.067  899.391   72.894   28.240   2.3179   30.295   1.2395 -2.054966 2.628549 
1 1 1  -13   33   26 o   7.2986   2.9460   29.921   64.423   0.0000   0.0000   29.921   64.423  ?   ?    7.2986   2.9460      ?      ? 
1 1 1  -13   33   27 o   31.355   1.4009  971.330   85.266   0.0000   0.0000  971.330   85.266  ?   ?    31.355   1.4009      ?      ? 
1 1 1  -13   33   28 o   7.9615   3.2525   38.999   79.638   0.0000   0.0000   38.999   79.638  ?   ?    7.9615   3.2525      ?      ? 
1 1 1  -13   34    1 o   74.048   0.8895  5319.71  117.841  5308.13  141.393  5346.06  213.240   73.930   0.9852   74.165   1.4812 -0.2351456 1.778916 
1 1 1  -13   34    2 o   24.740   1.3140  641.200   47.121  667.150   52.226  527.571  109.285   26.209   1.0265   23.272   2.4192 2.937366 2.627971 
1 1 1  -13   34    3 o  110.542   1.1491 11932.79  237.722 12083.67  299.839 11677.44  390.064  111.512   1.3852  109.572   1.8339 1.940033 2.298223 
1 1 1  -13   34    4 f   54.658   0.8365  2858.57   75.177  2821.14   85.637  2984.34  156.966   53.902   0.8185   55.413   1.4592 -1.511673 1.673092 
1 1 1  -13   34    5 o   49.956   0.8327  2484.76   68.334  2540.44   78.519  2310.92  138.734   51.151   0.7908   48.762   1.4657 2.389072 1.665406 
1 1 1  -13   34    6 o   30.655   0.6717  912.380   39.969  912.380   39.969   0.0000   0.0000   30.655   0.6717  ?   ?       ?      ? 
1 1 1  -13   34    7 o   42.509   1.0714  1755.89   88.358  1841.90  126.228  1673.26  123.723   43.530   1.4938   41.488   1.5363 2.042381 2.142792 
1 1 1  -13   34    8 o   56.434   1.0439  3099.76  114.202  3251.12  160.414  2944.21  162.620   57.835   1.4288   55.033   1.5223 2.802746 2.087792 
1 1 1  -13   34    9 o   15.167   3.3906  233.925   97.321  233.925   97.321   0.0000   0.0000   15.167   3.3906  ?   ?       ?      ? 
1 1 1  -13   34   10 o   74.497   1.4767  5395.38  213.546  5395.38  213.546   0.0000   0.0000   74.497   1.4767  ?   ?       ?      ? 
1 1 1  -13   34   11 o   11.595   3.6664  129.954   92.413  129.954   92.413   0.0000   0.0000   11.595   3.6664  ?   ?       ?      ? 
1 1 1  -13   34   12 o   65.302   1.4248  4146.52  180.606  4146.52  180.606   0.0000   0.0000   65.302   1.4248  ?   ?       ?      ? 
1 1 1  -13   34   13 o   72.733   1.4953  5145.17  211.123  5145.17  211.123   0.0000   0.0000   72.733   1.4953  ?   ?       ?      ? 
1 1 1  -13   34   14 o   45.816   1.5907  2042.64  141.471  2042.64  141.471   0.0000   0.0000   45.816   1.5907  ?   ?       ?      ? 
1 1 1  -13   34   15 o  145.612   2.5812 20733.10  729.598 20733.10  729.598   0.0000   0.0000  145.612   2.5812  ?   ?       ?      ? 
1 1 1  -13   34   16 o   33.339   1.7763  1082.81  114.958  1082.81  114.958   0.0000   0.0000   33.339   1.7763  ?   ?       ?      ? 
1 1 1  -13   34   17 o   10.939   4.1218   88.462  119.203   88.462  119.203   0.0000   0.0000   10.939   4.1218  ?   ?       ?      ? 
1 1 1  -13   34   18 o   75.841   1.5745  5605.43  231.793  5605.43  231.793   0.0000   0.0000   75.841   1.5745  ?   ?       ?      ? 
1 1 1  -13   34   19 o   10.030   4.0750   45.261  124.135   45.261  124.135   0.0000   0.0000   10.030   4.0750  ?   ?       ?      ? 
1 1 1  -13   34   20 o   19.024   1.5998  348.835   23.218  363.238  116.296  348.237   23.695   19.116   3.1340   18.932   0.6448 0.1838074 3.199669 
1 1 1  -13   34   21 o   45.240   0.8516  1973.27   68.855  2051.26  125.810  1939.93   82.270   45.833   1.4141   44.646   0.9493 1.187168 1.703150 
1 1 1  -13   34   22 o   36.664   1.0419  1368.15   61.447  1219.04  126.826  1413.88   70.242   35.222   1.8549   38.105   0.9496 -2.882927 2.083856 
1 1 1  -13   34   23 f   32.281   1.1800  1095.12   58.504  909.439  125.832  1146.32   66.081   30.277   2.1410   34.285   0.9929 -4.007679 2.359987 
1 1 1  -13   34   24 o   37.725   1.0639  1394.04   66.744  1412.53  135.745  1388.15   76.650   37.757   1.8521   37.693   1.0476 0.6460953E-01 2.127815 
1 1 1  -13   34   25 o   31.737   1.1834  1027.46   64.064  927.759  121.508  1065.84   75.395   30.489   2.0531   32.985   1.1775 -2.496405 2.366767 
1 1 1  -13   34   26 o   10.434   2.3539  111.705   52.210  132.969   86.816   99.657   65.348   11.119   3.5577   9.7478   3.0832 1.371481 4.707839 
1 1 1  -13   34   27 o   6.8282   2.9860  -3.8893   75.172   0.0000   0.0000  -3.8893   75.172  ?   ?    6.8282   2.9860      ?      ? 
1 1 1  -13   34   28 o   16.036   2.6498  270.459   82.486   0.0000   0.0000  270.459   82.486  ?   ?    16.036   2.6498      ?      ? 
1 1 1  -13   35    1 o   17.260   2.1061  387.615   48.386  436.169   53.651  176.020  112.001   21.187   1.3045   13.334   4.0050 7.852676 4.212110 
1 1 1  -13   35    2 o  107.232   1.1274 11119.59  223.976 10982.48  277.166 11377.63  380.231  106.310   1.3431  108.154   1.8111 -1.843246 2.254756 
1 1 1  -13   35    3 o   9.2553   2.1993   81.810   39.158   91.451   41.994   17.578  108.394   9.5014   2.3012   9.0092   3.7486 0.4921541 4.398582 
1 1 1  -13   35    4 o   16.424   1.6387  212.630   37.407  194.561   39.947  341.312  106.603   14.148   1.4545   18.699   2.9369 -4.550672 3.277334 
1 1 1  -13   35    5 o   37.254   0.9573  1450.78   51.558  1507.75   57.081  1198.39  120.147   39.406   0.7462   35.102   1.7633 4.304699 1.914674 
1 1 1  -13   35    6 o   25.633   1.1794  626.885   31.326  624.715   32.584  653.365  113.833   25.366   0.6617   25.900   2.2642 -0.5334339 2.358886 
1 1 1  -13   35    7 o   19.038   2.7224  353.625  100.607  353.625  100.607   0.0000   0.0000   19.038   2.7224  ?   ?       ?      ? 
1 1 1  -13   35    8 o   10.861   2.7522   87.805   76.104   35.378  103.789  148.776  111.927   9.2274   3.7341   12.495   4.0440 -3.267203 5.504305 
1 1 1  -13   35    9 o  107.952   1.9687 11344.45  412.549 11344.45  412.549   0.0000   0.0000  107.952   1.9687  ?   ?       ?      ? 
1 1 1  -13   35   10 o   46.290   1.4726  2083.37  132.327  2083.37  132.327   0.0000   0.0000   46.290   1.4726  ?   ?       ?      ? 
1 1 1  -13   35   11 o   8.3974   3.4797   17.921   92.861   17.921   92.861   0.0000   0.0000   8.3974   3.4797  ?   ?       ?      ? 
1 1 1  -13   35   12 o   81.175   1.6157  6411.05  254.593  6411.05  254.593   0.0000   0.0000   81.175   1.6157  ?   ?       ?      ? 
1 1 1  -13   35   13 o   33.684   1.9519  1105.33  127.628  1105.33  127.628   0.0000   0.0000   33.684   1.9519  ?   ?       ?      ? 
1 1 1  -13   35   14 o   56.072   1.5494  3059.85  168.645  3059.85  168.645   0.0000   0.0000   56.072   1.5494  ?   ?       ?      ? 
1 1 1  -13   35   15 o   23.505   2.3474  539.582  107.105  539.582  107.105   0.0000   0.0000   23.505   2.3474  ?   ?       ?      ? 
1 1 1  -13   35   16 o   39.998   1.7134  1558.60  133.033  1558.60  133.033   0.0000   0.0000   39.998   1.7134  ?   ?       ?      ? 
1 1 1  -13   35   17 o   35.351   1.8620  1219.20  127.775  1219.20  127.775   0.0000   0.0000   35.351   1.8620  ?   ?       ?      ? 
1 1 1  -13   35   18 o   60.491   1.5459  3567.61  181.525  3567.61  181.525   0.0000   0.0000   60.491   1.5459  ?   ?       ?      ? 
1 1 1  -13   35   19 o   19.014   2.9936  357.961  110.492  357.961  110.492   0.0000   0.0000   19.014   2.9936  ?   ?       ?      ? 
1 1 1  -13   35   20 o   43.673   1.7491  1866.73  148.280  1866.73  148.280   0.0000   0.0000   43.673   1.7491  ?   ?       ?      ? 
1 1 1  -13   35   21 o   22.259   1.6152  511.481   27.906  464.550  132.335  513.665   28.548   21.529   3.1665   22.990   0.6397 -1.460529 3.230477 
1 1 1  -13   35   22 o   28.870   1.1335  835.320   48.476  789.544  113.292  845.579   53.634   28.276   2.0640   29.463   0.9378 -1.186821 2.267046 
1 1 1  -13   35   23 o   39.655   0.9690  1571.36   65.685  1477.18  125.783  1606.68   77.020   38.726   1.6732   40.584   0.9777 -1.857445 1.937902 
1 1 1  -13   35   24 o   7.9885   2.0438   50.611   47.409 -105.5068   99.936   95.950   53.855   6.3849   3.0242   9.5921   2.7501 -3.207212 4.087635 
1 1 1  -13   35   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   35   26 o   23.260   1.4554  549.034   58.378  534.161  110.756  554.755   68.695   22.843   2.4977   23.677   1.4946 -0.8335934 2.910786 
1 1 1  -13   35   27 o   23.709   1.6998  561.908   78.233   0.0000   0.0000  561.908   78.233  ?   ?    23.709   1.6998      ?      ? 
1 1 1  -13   35   28 o   32.870   1.4490  1075.65   92.458   0.0000   0.0000  1075.65   92.458  ?   ?    32.870   1.4490      ?      ? 
1 1 1  -13   36    1 o  129.877   1.3002 16380.75  317.789 16289.00  402.244 16533.13  518.369  129.431   1.6010  130.323   2.0491 -0.8916016 2.600337 
1 1 1  -13   36    2 o   74.454   0.9217  5414.57  123.605  5462.21  149.533  5311.78  219.632   74.991   1.0272   73.917   1.5307 1.073105 1.843412 
1 1 1  -13   36    3 o   49.914   0.8429  2453.76   69.218  2484.00   79.375  2357.78  141.418   50.578   0.8085   49.250   1.4792 1.328186 1.685750 
1 1 1  -13   36    4 o   22.336   1.2802  392.061   39.663  358.730   42.337  631.248  113.413   19.216   1.1350   25.455   2.2952 -6.238968 2.560490 
1 1 1  -13   36    5 o   40.399   0.8987  1579.94   54.103  1576.60   59.705  1595.25  127.935   40.295   0.7633   40.503   1.6272 -0.2077751 1.797316 
1 1 1  -13   36    6 o   49.967   0.7752  2441.62   53.675  2448.64   58.258  2402.20  138.058   50.221   0.5976   49.712   1.4307 0.5092125 1.550446 
1 1 1  -13   36    7 f   46.918   1.0738  2139.77   96.885  2136.89  128.524  2143.56  147.451   46.887   1.4121   46.949   1.6179 -0.6216431E-01 2.147499 
1 1 1  -13   36    8 o   79.734   1.1333  6177.02  175.301  6029.24  242.664  6338.32  253.516   78.739   1.5876   80.728   1.6178 -1.989922 2.266662 
1 1 1  -13   36    9 o   26.623   2.1382  690.558  110.505  690.558  110.505   0.0000   0.0000   26.623   2.1382  ?   ?       ?      ? 
1 1 1  -13   36   10 o   56.622   1.4719  3117.86  161.777  3117.86  161.777   0.0000   0.0000   56.622   1.4719  ?   ?       ?      ? 
1 1 1  -13   36   11 o   50.296   1.4997  2460.40  146.417  2460.40  146.417   0.0000   0.0000   50.296   1.4997  ?   ?       ?      ? 
1 1 1  -13   36   12 o   32.535   1.9505  1031.14  123.182  1031.14  123.182   0.0000   0.0000   32.535   1.9505  ?   ?       ?      ? 
1 1 1  -13   36   13 o   24.040   2.6031  565.196  121.477  565.196  121.477   0.0000   0.0000   24.040   2.6031  ?   ?       ?      ? 
1 1 1  -13   36   14 o   64.997   1.4982  4110.65  189.028  4110.65  189.028   0.0000   0.0000   64.997   1.4982  ?   ?       ?      ? 
1 1 1  -13   36   15 o  104.870   1.9329 10723.37  393.480 10723.37  393.480   0.0000   0.0000  104.870   1.9329  ?   ?       ?      ? 
1 1 1  -13   36   16 o   41.179   1.7698  1652.97  141.474  1652.97  141.474   0.0000   0.0000   41.179   1.7698  ?   ?       ?      ? 
1 1 1  -13   36   17 o   45.545   1.3645  2019.80  120.634  2019.80  120.634   0.0000   0.0000   45.545   1.3645  ?   ?       ?      ? 
1 1 1  -13   36   18 o   37.987   1.8815  1410.97  138.741  1410.97  138.741   0.0000   0.0000   37.987   1.8815  ?   ?       ?      ? 
1 1 1  -13   36   19 o   13.063   3.9427  174.079  108.350  174.079  108.350   0.0000   0.0000   13.063   3.9427  ?   ?       ?      ? 
1 1 1  -13   36   20 o   31.473   1.9632  972.640  119.943  972.640  119.943   0.0000   0.0000   31.473   1.9632  ?   ?       ?      ? 
1 1 1  -13   36   21 o   16.381   1.8753  191.029   23.461  377.050  129.380  184.704   23.856   18.986   3.6429   13.776   0.8921 5.210844 3.750569 
1 1 1  -13   36   22 o   11.838   2.2367  159.188   39.633   81.233  124.802  167.932   41.796   10.605   4.1590   13.071   1.6473 -2.466095 4.473404 
1 1 1  -13   36   23 o   32.856   1.1675  996.805   55.875  1170.98  140.494  964.082   60.898   34.287   2.1109   31.424   0.9983 2.862597 2.335045 
1 1 1  -13   36   24 o   14.252   2.2462  255.268   50.014  134.458  119.257  281.051   55.093   11.641   4.1652   16.863   1.6830 -5.222484 4.492376 
1 1 1  -13   36   25 o   18.233   1.9716  326.462   55.634  384.358  122.888  311.537   62.394   18.781   3.4994   17.686   1.8174 1.095875 3.943235 
1 1 1  -13   36   26 o   37.733   1.1186  1421.74   74.606  1394.27  136.595  1433.42   89.064   37.290   1.8870   38.175   1.2019 -0.8846474 2.237252 
1 1 1  -13   36   27 o   22.880   1.4372  550.816   60.509  457.585   97.282  609.644   77.276   21.055   2.3802   24.706   1.6113 -3.650557 2.874321 
1 1 1  -13   37    1 o   49.776   0.9241  2495.05   77.047  2587.73   89.701  2234.33  150.454   51.619   0.8952   47.933   1.6170 3.686554 1.848248 
1 1 1  -13   37    2 o   36.334   0.8869  1308.17   57.692  1351.30   69.906  1216.05  102.162   37.300   0.9655   35.367   1.4881 1.932690 1.773832 
1 1 1  -13   37    3 o  110.189   1.2255 11797.04  243.342 11773.65  293.720 11848.22  434.528  110.061   1.3748  110.317   2.0291 -0.2567062 2.450996 
1 1 1  -13   37    4 f   25.539   1.2528  682.747   43.211  703.677   47.014  568.864  109.667   26.918   0.8998   24.160   2.3384 2.757618 2.505507 
1 1 1  -13   37    5 o   37.130   0.8858  1285.54   48.795  1257.19   53.528  1424.88  118.680   35.982   0.7664   38.278   1.5972 -2.295929 1.771545 
1 1 1  -13   37    6 o   54.456   0.8416  2876.28   62.008  2874.25   66.913  2888.62  164.990   54.410   0.6335   54.503   1.5595 -0.9274673E-01 1.683244 
1 1 1  -13   37    7 o   34.824   1.1325  1181.50   76.278  1154.22  112.030  1205.08  104.147   34.446   1.6755   35.203   1.5240 -0.7577438 2.264930 
1 1 1  -13   37    8 o   83.980   1.1939  6859.47  194.370  6811.82  267.646  6912.64  282.737   83.677   1.6478   84.284   1.7281 -0.6070938 2.387777 
1 1 1  -13   37    9 o   45.173   1.5169  1984.82  133.015  1984.82  133.015   0.0000   0.0000   45.173   1.5169  ?   ?       ?      ? 
1 1 1  -13   37   10 o   21.777   2.7002  463.381  114.143  463.381  114.143   0.0000   0.0000   21.777   2.7002  ?   ?       ?      ? 
1 1 1  -13   37   11 o   41.234   1.6917  1654.76  135.407  1654.76  135.407   0.0000   0.0000   41.234   1.6917  ?   ?       ?      ? 
1 1 1  -13   37   12 o   51.272   1.5720  2558.53  156.462  2558.53  156.462   0.0000   0.0000   51.272   1.5720  ?   ?       ?      ? 
1 1 1  -13   37   13 o   43.945   1.5717  1879.56  134.076  1879.56  134.076   0.0000   0.0000   43.945   1.5717  ?   ?       ?      ? 
1 1 1  -13   37   14 o   9.4458   3.7000   52.972   98.676   52.972   98.676   0.0000   0.0000   9.4458   3.7000  ?   ?       ?      ? 
1 1 1  -13   37   15 o   48.167   1.6578  2260.04  155.007  2260.04  155.007   0.0000   0.0000   48.167   1.6578  ?   ?       ?      ? 
1 1 1  -13   37   16 o   41.446   1.6452  1674.43  132.363  1674.43  132.363   0.0000   0.0000   41.446   1.6452  ?   ?       ?      ? 
1 1 1  -13   37   17 o   29.461   2.1749  850.341  124.382  850.341  124.382   0.0000   0.0000   29.461   2.1749  ?   ?       ?      ? 
1 1 1  -13   37   18 o   24.408   2.3360  585.487  110.681  585.487  110.681   0.0000   0.0000   24.408   2.3360  ?   ?       ?      ? 
1 1 1  -13   37   19 o   53.413   1.6256  2789.39  168.546  2789.39  168.546   0.0000   0.0000   53.413   1.6256  ?   ?       ?      ? 
1 1 1  -13   37   20 o   26.810   2.3250  709.946  120.999  709.946  120.999   0.0000   0.0000   26.810   2.3250  ?   ?       ?      ? 
1 1 1  -13   37   21 f   42.380   0.7512  1696.39   44.910  1832.20  115.532  1672.22   48.744   43.283   1.3751   41.477   0.6054 1.805943 1.502433 
1 1 1  -13   37   22 f   32.928   0.9958  988.737   49.578  1185.99  119.579  947.791   54.482   34.673   1.7766   31.184   0.9000 3.489304 1.991606 
1 1 1  -13   37   23 f   36.873   1.0322  1304.37   60.289  1394.87  133.044  1280.99   67.632   37.521   1.8266   36.225   0.9618 1.296379 2.064379 
1 1 1  -13   37   24 o   21.227   1.6113  476.663   49.285  417.177  115.886  489.797   54.455   20.114   2.9680   22.340   1.2557 -2.225391 3.222671 
1 1 1  -13   37   25 o   10.988   2.3814  130.540   50.887  112.067  107.710  135.849   57.737   10.693   3.9395   11.282   2.6766 -0.5891590 4.762744 
1 1 1  -13   37   26 o   14.499   2.2415  248.971   58.734  171.201  105.299  284.095   70.765   12.279   3.9170   16.719   2.1804 -4.439921 4.483011 
1 1 1  -13   37   27 o   8.5375   3.2155   67.337   72.530   0.0000   0.0000   67.337   72.530  ?   ?    8.5375   3.2155      ?      ? 
1 1 1  -13   38    1 o   20.823   1.8540  498.798   54.675  549.402   62.063  323.395  115.546   23.775   1.3448   17.872   3.4556 5.902664 3.708036 
1 1 1  -13   38    2 o   8.2182   2.3022   38.484   53.388   69.180   59.700 -84.0899  119.296   8.7367   2.9578   7.6996   3.5289 1.037015 4.604500 
1 1 1  -13   38    3 o   18.426   1.6383  300.475   45.429  284.523   49.727  380.973  111.705   17.106   1.4975   19.745   2.9144 -2.638985 3.276629 
1 1 1  -13   38    4 o   51.688   0.8732  2629.74   74.883  2661.55   86.194  2531.83  151.219   52.351   0.8482   51.026   1.5267 1.324970 1.746480 
1 1 1  -13   38    5 o   67.169   0.9031  4380.13  104.232  4374.61  121.751  4395.30  201.689   67.111   0.9346   67.227   1.5455 -0.1162949 1.806105 
1 1 1  -13   38    6 o   34.437   0.8377  1162.42   42.596  1167.90   46.968  1137.00  101.107   34.681   0.6977   34.192   1.5233 0.4890938 1.675476 
1 1 1  -13   38    7 o   91.848   1.2497  8207.30  222.579  8128.61  307.064  8294.42  323.098   91.389   1.7309   92.306   1.8032 -0.9166489 2.499481 
1 1 1  -13   38    8 o   14.374   2.8280  208.966   81.408  205.245  108.960  213.667  122.479   14.209   3.8531   14.538   4.1404 -0.3289928 5.655901 
1 1 1  -13   38    9 o   82.742   1.6335  6661.23  262.375  6661.23  262.375   0.0000   0.0000   82.742   1.6335  ?   ?       ?      ? 
1 1 1  -13   38   10 o   24.637   2.3681  592.412  113.255  592.412  113.255   0.0000   0.0000   24.637   2.3681  ?   ?       ?      ? 
1 1 1  -13   38   11 o   30.165   1.9806  887.073  115.975  887.073  115.975   0.0000   0.0000   30.165   1.9806  ?   ?       ?      ? 
1 1 1  -13   38   12 o   52.495   1.5397  2681.74  156.895  2681.74  156.895   0.0000   0.0000   52.495   1.5397  ?   ?       ?      ? 
1 1 1  -13   38   13 o   9.0551   3.4675   55.242   85.228   55.242   85.228   0.0000   0.0000   9.0551   3.4675  ?   ?       ?      ? 
1 1 1  -13   38   14 o   8.5319   3.7077 -16.6804  114.334 -16.6804  114.334   0.0000   0.0000   8.5319   3.7077  ?   ?       ?      ? 
1 1 1  -13   38   15 o   93.101   1.8141  8454.47  327.860  8454.47  327.860   0.0000   0.0000   93.101   1.8141  ?   ?       ?      ? 
1 1 1  -13   38   16 o   18.299   2.9500  330.264  104.789  330.264  104.789   0.0000   0.0000   18.299   2.9500  ?   ?       ?      ? 
1 1 1  -13   38   17 o   35.889   2.0159  1261.16  140.443  1261.16  140.443   0.0000   0.0000   35.889   2.0159  ?   ?       ?      ? 
1 1 1  -13   38   18 o   42.511   1.5854  1765.32  130.827  1765.32  130.827   0.0000   0.0000   42.511   1.5854  ?   ?       ?      ? 
1 1 1  -13   38   19 o   42.128   1.6816  1737.57  137.518  1737.57  137.518   0.0000   0.0000   42.128   1.6816  ?   ?       ?      ? 
1 1 1  -13   38   20 o   8.4072   3.7694 -45.8900  127.327 -45.8900  127.327   0.0000   0.0000   8.4072   3.7694  ?   ?       ?      ? 
1 1 1  -13   38   21 o   16.430   3.7780  289.368  117.976  289.368  117.976   0.0000   0.0000   16.430   3.7780  ?   ?       ?      ? 
1 1 1  -13   38   22 o   7.5439   2.2159   5.1819   31.541   93.025  109.960  -2.6938   32.925   10.450   3.9537   4.6375   2.0024 5.812789 4.431878 
1 1 1  -13   38   23 o   13.269   2.0647  156.252   39.869  229.772  104.259  143.660   43.148   14.502   3.6935   12.036   1.8467 2.465720 4.129405 
1 1 1  -13   38   24 o   31.626   1.0650  996.242   55.630  971.311  113.055  1004.21   63.902   31.217   1.8657   32.035   1.0276 -0.8183346 2.129949 
1 1 1  -13   38   25 o   29.399   1.1867  836.338   57.497  906.536  120.180  815.502   65.476   29.990   2.0644   28.809   1.1708 1.181068 2.373323 
1 1 1  -13   38   26 o   7.9714   2.1604   30.538   58.449 -176.3740  113.353  105.476   68.217   6.0564   2.9548   9.8863   3.1527 -3.829912 4.320862 
1 1 1  -13   39    1 o   49.825   0.8975  2433.00   76.412  2455.48   89.209  2371.06  148.068   50.279   0.9140   49.372   1.5450 0.9067802 1.795082 
1 1 1  -13   39    2 o   88.147   1.0376  7577.81  165.303  7616.27  200.387  7495.88  292.444   88.529   1.1660   87.764   1.7166 0.7653351 2.075161 
1 1 1  -13   39    3 o  140.693   1.5228 19028.66  384.981 18608.57  461.418 19991.03  698.383  138.280   1.7190  143.107   2.5140 -4.826965 3.045522 
1 1 1  -13   39    4 o  104.544   1.1793 10700.85  223.584 10822.50  272.305 10449.17  391.693  105.510   1.3295  103.578   1.9481 1.931976 2.358546 
1 1 1  -13   39    5 o   35.842   0.8072  1247.65   56.162  1247.65   56.162   0.0000   0.0000   35.842   0.8072  ?   ?       ?      ? 
1 1 1  -13   39    6 o   59.323   0.8493  3387.63   70.989  3372.97   77.197  3467.96  180.682   58.938   0.6747   59.707   1.5589 -0.7689514 1.698677 
1 1 1  -13   39    7 o   41.837   1.1371  1725.60   90.571  1840.36  119.508  1570.74  138.827   43.504   1.4151   40.170   1.7804 3.334415 2.274262 
1 1 1  -13   39    8 o   65.123   1.0296  4123.50  130.076  4150.63  187.653  4098.40  180.468   65.327   1.4798   64.919   1.4321 0.4080734 2.059262 
1 1 1  -13   39    9 o   49.846   1.4617  2416.89  141.432  2416.89  141.432   0.0000   0.0000   49.846   1.4617  ?   ?       ?      ? 
1 1 1  -13   39   10 o   72.738   1.5284  5148.73  215.812  5148.73  215.812   0.0000   0.0000   72.738   1.5284  ?   ?       ?      ? 
1 1 1  -13   39   11 o   49.452   1.4133  2378.83  135.670  2378.83  135.670   0.0000   0.0000   49.452   1.4133  ?   ?       ?      ? 
1 1 1  -13   39   12 o   12.550   3.7657  157.087   99.054  157.087   99.054   0.0000   0.0000   12.550   3.7657  ?   ?       ?      ? 
1 1 1  -13   39   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   39   14 o   10.844   4.2032   76.749  126.323   76.749  126.323   0.0000   0.0000   10.844   4.2032  ?   ?       ?      ? 
1 1 1  -13   39   15 o   30.658   1.8819  917.986  111.999  917.986  111.999   0.0000   0.0000   30.658   1.8819  ?   ?       ?      ? 
1 1 1  -13   39   16 o   33.523   2.0469  1100.32  133.201  1100.32  133.201   0.0000   0.0000   33.523   2.0469  ?   ?       ?      ? 
1 1 1  -13   39   17 o   19.032   2.9981  359.169  110.762  359.169  110.762   0.0000   0.0000   19.032   2.9981  ?   ?       ?      ? 
1 1 1  -13   39   18 o   20.889   3.2097  436.152  130.151  436.152  130.151   0.0000   0.0000   20.889   3.2097  ?   ?       ?      ? 
1 1 1  -13   39   19 o   12.990   3.8958  174.769  106.035  174.769  106.035   0.0000   0.0000   12.990   3.8958  ?   ?       ?      ? 
1 1 1  -13   39   20 o   45.374   1.5961  2019.31  140.584  2019.31  140.584   0.0000   0.0000   45.374   1.5961  ?   ?       ?      ? 
1 1 1  -13   39   21 o   20.459   3.0680  426.220  121.848  426.220  121.848   0.0000   0.0000   20.459   3.0680  ?   ?       ?      ? 
1 1 1  -13   39   22 o   27.974   1.2376  706.083   28.312  853.408  136.383  699.448   28.942   29.129   2.4120   26.819   0.5559 2.309906 2.475202 
1 1 1  -13   39   23 o   21.653   1.6306  494.242   41.055  442.753  124.713  500.500   43.478   20.675   3.1075   22.631   0.9897 -1.956730 3.261292 
1 1 1  -13   39   24 o   27.800   1.3526  758.352   53.600  794.984  134.206  751.400   58.466   27.913   2.4768   27.687   1.0878 0.2259846 2.705178 
1 1 1  -13   39   25 o   25.716   1.5501  697.411   57.552  630.128  135.800  712.141   63.541   24.536   2.8513   26.896   1.2170 -2.360056 3.100140 
1 1 1  -13   39   26 o   9.0982   3.0074   87.698   61.765   0.0000   0.0000   87.698   61.765  ?   ?    9.0982   3.0074      ?      ? 
1 1 1  -13   40    1 o   68.236   0.9445  4610.27  114.725  4744.22  138.251  4314.06  205.594   69.881   1.0192   66.592   1.5905 3.289040 1.888994 
1 1 1  -13   40    2 f   62.489   0.9237  3857.95  100.521  3939.88  119.061  3654.60  187.572   63.685   0.9631   61.292   1.5765 2.393028 1.847421 
1 1 1  -13   40    3 o   12.005   2.3741  121.041   47.578  104.869   52.646  193.101  111.133   10.174   2.6422   13.835   3.9453 -3.661028 4.748275 
1 1 1  -13   40    4 o   11.626   2.3725   82.822   46.556   52.046   50.781  245.031  116.582   7.7701   2.7241   15.483   3.8852 -7.712672 4.745059 
1 1 1  -13   40    5 o   34.369   1.0944  1186.55   39.981  1194.14   41.792  1104.68  137.310   35.070   0.6139   33.668   2.1010 1.401855 2.188823 
1 1 1  -13   40    6 o   9.5440   2.0614   88.426   24.445   91.491   24.993   20.780  117.410   9.7009   1.3272   9.3872   3.9032 0.3136606 4.122701 
1 1 1  -13   40    7 o   63.022   1.0401  3857.70  126.824  3795.74  171.875  3931.75  187.907   62.472   1.4173   63.572   1.5227 -1.099392 2.080226 
1 1 1  -13   40    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   40    9 o   18.423   2.7071  332.167   96.815  332.167   96.815   0.0000   0.0000   18.423   2.7071  ?   ?       ?      ? 
1 1 1  -13   40   10 o  101.135   1.8591  9965.79  364.973  9965.79  364.973   0.0000   0.0000  101.135   1.8591  ?   ?       ?      ? 
1 1 1  -13   40   11 o   27.919   1.8609  759.695  100.854  759.695  100.854   0.0000   0.0000   27.919   1.8609  ?   ?       ?      ? 
1 1 1  -13   40   12 o   58.256   1.4555  3302.90  164.593  3302.90  164.593   0.0000   0.0000   58.256   1.4555  ?   ?       ?      ? 
1 1 1  -13   40   13 o   12.850   4.1667  159.836  118.780  159.836  118.780   0.0000   0.0000   12.850   4.1667  ?   ?       ?      ? 
1 1 1  -13   40   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   40   15 o   59.644   1.4827  3468.27  171.666  3468.27  171.666   0.0000   0.0000   59.644   1.4827  ?   ?       ?      ? 
1 1 1  -13   40   16 o   23.332   2.7142  537.360  122.930  537.360  122.930   0.0000   0.0000   23.332   2.7142  ?   ?       ?      ? 
1 1 1  -13   40   17 o   10.069   3.9144   68.361  109.809   68.361  109.809   0.0000   0.0000   10.069   3.9144  ?   ?       ?      ? 
1 1 1  -13   40   18 o   31.509   2.1821  978.181  133.466  978.181  133.466   0.0000   0.0000   31.509   2.1821  ?   ?       ?      ? 
1 1 1  -13   40   19 o   42.238   1.8180  1752.84  149.057  1752.84  149.057   0.0000   0.0000   42.238   1.8180  ?   ?       ?      ? 
1 1 1  -13   40   20 o   8.4223   3.6501  -2.7872  110.207  -2.7872  110.207   0.0000   0.0000   8.4223   3.6501  ?   ?       ?      ? 
1 1 1  -13   40   21 o   19.816   2.6164  396.433  100.640  396.433  100.640   0.0000   0.0000   19.816   2.6164  ?   ?       ?      ? 
1 1 1  -13   40   22 f   8.6796   2.1622   25.436   22.265  166.598  106.079   18.930   22.773   12.456   3.9271   4.9028   1.8105 7.553538 4.324325 
1 1 1  -13   40   23 o   23.274   1.3113  511.724   39.096  578.209  113.322  502.742   41.654   23.866   2.4461   22.681   0.9461 1.184702 2.622654 
1 1 1  -13   40   24 o   7.8896   2.2844   37.880   42.670   29.472  113.765   39.257   46.030   8.8963   3.7790   6.8829   2.5676 2.013365 4.568768 
1 1 1  -13   40   25 o   19.595   1.4338  380.640   54.537   0.0000   0.0000  380.640   54.537  ?   ?    19.595   1.4338      ?      ? 
1 1 1  -13   40   26 o   11.119   2.8512  136.628   61.833   0.0000   0.0000  136.628   61.833  ?   ?    11.119   2.8512      ?      ? 
1 1 1  -13   41    1 o   59.568   0.8915  3449.91   93.814  3450.40  111.572  3448.72  173.320   59.595   0.9644   59.541   1.4996 0.5443573E-01 1.782943 
1 1 1  -13   41    2 o   31.604   1.1798  1022.94   58.444  1061.83   66.239  886.273  124.180   33.058   1.0322   30.150   2.1218 2.907969 2.359523 
1 1 1  -13   41    3 o   78.082   0.9999  5935.60  136.969  5943.85  162.168  5915.08  255.831   78.211   1.0682   77.954   1.6906 0.2567139 1.999797 
1 1 1  -13   41    4 f   52.202   0.9429  2706.04   81.408  2759.59   93.767  2542.15  164.052   53.299   0.9063   51.106   1.6537 2.193398 1.885718 
1 1 1  -13   41    5 o   98.728   1.0685  9460.20  171.937  9440.41  195.667  9527.26  360.200   98.567   1.0226   98.888   1.8764 -0.3210068 2.137002 
1 1 1  -13   41    6 o   41.911   0.9218  1811.92   46.774  1843.02   49.787  1578.04  136.516   43.568   0.5887   40.253   1.7471 3.314201 1.843603 
1 1 1  -13   41    7 o   92.612   1.2617  8328.79  226.048  8060.72  305.313  8654.02  336.287   90.978   1.7288   94.246   1.8382 -3.268013 2.523403 
1 1 1  -13   41    8 o   58.751   1.4257  3357.79  162.594  3357.79  162.594   0.0000   0.0000   58.751   1.4257  ?   ?       ?      ? 
1 1 1  -13   41    9 o   60.435   1.4350  3553.25  168.341  3553.25  168.341   0.0000   0.0000   60.435   1.4350  ?   ?       ?      ? 
1 1 1  -13   41   10 o   30.926   1.6620  931.380   99.774  931.380   99.774   0.0000   0.0000   30.926   1.6620  ?   ?       ?      ? 
1 1 1  -13   41   11 o   55.827   1.4533  3033.22  157.493  3033.22  157.493   0.0000   0.0000   55.827   1.4533  ?   ?       ?      ? 
1 1 1  -13   41   12 o   9.1817   3.8273   19.638  113.285   19.638  113.285   0.0000   0.0000   9.1817   3.8273  ?   ?       ?      ? 
1 1 1  -13   41   13 o   39.896   1.7230  1552.57  133.434  1552.57  133.434   0.0000   0.0000   39.896   1.7230  ?   ?       ?      ? 
1 1 1  -13   41   14 o   47.432   1.4633  2192.97  134.732  2192.97  134.732   0.0000   0.0000   47.432   1.4633  ?   ?       ?      ? 
1 1 1  -13   41   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   41   16 o   45.363   1.5124  2009.19  133.179  2009.19  133.179   0.0000   0.0000   45.363   1.5124  ?   ?       ?      ? 
1 1 1  -13   41   17 f   13.938   4.3734  199.732  131.729  199.732  131.729   0.0000   0.0000   13.938   4.3734  ?   ?       ?      ? 
1 1 1  -13   41   18 o   26.584   2.2259  697.736  114.863  697.736  114.863   0.0000   0.0000   26.584   2.2259  ?   ?       ?      ? 
1 1 1  -13   41   19 o   15.250   3.9433  249.784  117.599  249.784  117.599   0.0000   0.0000   15.250   3.9433  ?   ?       ?      ? 
1 1 1  -13   41   20 o   20.839   3.1233  443.523  126.345  443.523  126.345   0.0000   0.0000   20.839   3.1233  ?   ?       ?      ? 
1 1 1  -13   41   21 o   29.172   2.2615  852.331  128.066  852.331  128.066   0.0000   0.0000   29.172   2.2615  ?   ?       ?      ? 
1 1 1  -13   41   22 o   30.257   2.1865  918.227  128.423  918.227  128.423   0.0000   0.0000   30.257   2.1865  ?   ?       ?      ? 
1 1 1  -13   41   23 o   11.628   2.2400  127.466   32.896  154.567  120.513  125.284   34.195   12.008   4.1972   11.247   1.5662 0.7606773 4.479915 
1 1 1  -13   41   24 o   13.483   2.2707  221.493   41.525  145.688  127.612  230.471   43.915   11.715   4.2922   15.250   1.4834 -3.535164 4.541322 
1 1 1  -13   41   25 o   5.6647   2.4857  -6.0397   52.489   0.0000   0.0000  -6.0397   52.489  ?   ?    5.6647   2.4857      ?      ? 
1 1 1  -13   42    1 o   73.034   1.0390  5183.34  147.300  5183.34  147.300   0.0000   0.0000   73.034   1.0390  ?   ?       ?      ? 
1 1 1  -13   42    2 o   45.193   0.9737  2008.32   70.863  2025.90   80.466  1947.58  149.573   45.666   0.9077   44.720   1.7230 0.9455528 1.947497 
1 1 1  -13   42    3 f   21.338   1.5369  440.724   50.754  438.406   56.626  450.195  114.459   21.230   1.3740   21.445   2.7495 -0.2149658 3.073703 
1 1 1  -13   42    4 o   57.584   0.9112  3269.25   90.280  3323.05  106.014  3127.29  172.214   58.484   0.9338   56.685   1.5651 1.799187 1.822499 
1 1 1  -13   42    5 o   34.965   1.0849  1132.85   40.981  1121.74   42.736  1259.78  144.484   33.988   0.6477   35.941   2.0709 -1.952911 2.169850 
1 1 1  -13   42    6 o   66.624   0.8985  4401.75   89.297  4451.58   98.913  4182.18  207.631   67.702   0.7526   65.545   1.6319 2.157036 1.797076 
1 1 1  -13   42    7 o   24.589   1.7245  611.511   79.292  702.086  104.548  488.864  121.658   26.834   2.0071   22.344   2.8049 4.490761 3.449054 
1 1 1  -13   42    8 o   47.067   1.3875  2155.02  126.770  2155.02  126.770   0.0000   0.0000   47.067   1.3875  ?   ?       ?      ? 
1 1 1  -13   42    9 o   44.457   1.4925  1923.67  128.799  1923.67  128.799   0.0000   0.0000   44.457   1.4925  ?   ?       ?      ? 
1 1 1  -13   42   10 o   57.263   1.4748  3191.77  163.940  3191.77  163.940   0.0000   0.0000   57.263   1.4748  ?   ?       ?      ? 
1 1 1  -13   42   11 o   58.819   1.5055  3369.05  171.899  3369.05  171.899   0.0000   0.0000   58.819   1.5055  ?   ?       ?      ? 
1 1 1  -13   42   12 o   98.468   1.8737  9466.89  358.145  9466.89  358.145   0.0000   0.0000   98.468   1.8737  ?   ?       ?      ? 
1 1 1  -13   42   13 o   84.647   1.6762  6993.25  275.430  6993.25  275.430   0.0000   0.0000   84.647   1.6762  ?   ?       ?      ? 
1 1 1  -13   42   14 o   18.997   3.0320  357.374  111.809  357.374  111.809   0.0000   0.0000   18.997   3.0320  ?   ?       ?      ? 
1 1 1  -13   42   15 o   43.797   1.5766  1873.44  134.042  1873.44  134.042   0.0000   0.0000   43.797   1.5766  ?   ?       ?      ? 
1 1 1  -13   42   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   42   17 o   17.747   3.6872  330.060  122.875  330.060  122.875   0.0000   0.0000   17.747   3.6872  ?   ?       ?      ? 
1 1 1  -13   42   18 o   28.706   2.5109  819.946  139.918  819.946  139.918   0.0000   0.0000   28.706   2.5109  ?   ?       ?      ? 
1 1 1  -13   42   19 o   32.940   1.8185  1070.55  116.279  1070.55  116.279   0.0000   0.0000   32.940   1.8185  ?   ?       ?      ? 
1 1 1  -13   42   20 o   20.848   2.7535  441.230  111.433  441.230  111.433   0.0000   0.0000   20.848   2.7535  ?   ?       ?      ? 
1 1 1  -13   42   21 o   12.860   4.2472  177.485  123.195  177.485  123.195   0.0000   0.0000   12.860   4.2472  ?   ?       ?      ? 
1 1 1  -13   42   22 o   9.4679   4.0266   31.854  129.436   31.854  129.436   0.0000   0.0000   9.4679   4.0266  ?   ?       ?      ? 
1 1 1  -13   42   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   42   24 o   4.9173   2.1934 -13.2800   42.527   0.0000   0.0000 -13.2800   42.527  ?   ?    4.9173   2.1934      ?      ? 
1 1 1  -13   42   25 o   14.026   1.8249  198.705   49.688   0.0000   0.0000  198.705   49.688  ?   ?    14.026   1.8249      ?      ? 
1 1 1  -13   43    1 o   68.929   0.9253  4601.69  113.929  4572.83  136.399  4668.30  207.200   68.599   1.0243   69.259   1.5412 -0.6603317 1.850507 
1 1 1  -13   43    2 o   25.172   1.4641  601.981   55.105  593.156   60.696  643.372  131.450   24.699   1.2660   25.645   2.6405 -0.9466610 2.928296 
1 1 1  -13   43    3 o   32.205   1.2644  1046.69   61.047  1068.88   67.905  953.176  139.391   33.165   1.0548   31.245   2.2982 1.919947 2.528724 
1 1 1  -13   43    4 o   13.691   2.2815  198.408   37.489  202.199   39.189  157.520  128.694   14.417   1.4003   12.965   4.3429 1.452311 4.563054 
1 1 1  -13   43    5 o   20.244   1.5716  371.884   34.904  366.249   36.417  435.495  122.347   19.415   0.9663   21.073   2.9909 -1.657866 3.143153 
1 1 1  -13   43    6 o   18.772   1.3587  327.165   28.522  323.652   29.849  364.072   96.741   18.253   0.8424   19.290   2.5835 -1.037231 2.717375 
1 1 1  -13   43    7 o   30.979   1.4343  930.440   85.985  849.382  116.530  1027.32  127.396   29.506   2.0345   32.451   2.0224 -2.944780 2.868654 
1 1 1  -13   43    8 o   44.889   1.5932  1962.16  138.826  1962.16  138.826   0.0000   0.0000   44.889   1.5932  ?   ?       ?      ? 
1 1 1  -13   43    9 o   51.481   1.5234  2580.56  152.237  2580.56  152.237   0.0000   0.0000   51.481   1.5234  ?   ?       ?      ? 
1 1 1  -13   43   10 o   41.301   1.6751  1662.72  134.296  1662.72  134.296   0.0000   0.0000   41.301   1.6751  ?   ?       ?      ? 
1 1 1  -13   43   11 o   55.316   1.5029  2981.58  161.381  2981.58  161.381   0.0000   0.0000   55.316   1.5029  ?   ?       ?      ? 
1 1 1  -13   43   12 o   83.438   1.6599  6794.50  268.852  6794.50  268.852   0.0000   0.0000   83.438   1.6599  ?   ?       ?      ? 
1 1 1  -13   43   13 o   50.257   1.4652  2463.10  142.940  2463.10  142.940   0.0000   0.0000   50.257   1.4652  ?   ?       ?      ? 
1 1 1  -13   43   14 o   32.770   1.9516  1052.18  124.147  1052.18  124.147   0.0000   0.0000   32.770   1.9516  ?   ?       ?      ? 
1 1 1  -13   43   15 o   15.253   3.3476  241.598   96.397  241.598   96.397   0.0000   0.0000   15.253   3.3476  ?   ?       ?      ? 
1 1 1  -13   43   16 o   15.773   3.8922  262.779  118.442  262.779  118.442   0.0000   0.0000   15.773   3.8922  ?   ?       ?      ? 
1 1 1  -13   43   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   43   18 o   28.832   2.3643  828.155  132.326  828.155  132.326   0.0000   0.0000   28.832   2.3643  ?   ?       ?      ? 
1 1 1  -13   43   19 o   13.687   4.3833  202.276  131.758  202.276  131.758   0.0000   0.0000   13.687   4.3833  ?   ?       ?      ? 
1 1 1  -13   43   20 f   14.469   4.1360  231.783  121.987  231.783  121.987   0.0000   0.0000   14.469   4.1360  ?   ?       ?      ? 
1 1 1  -13   43   21 o   28.686   2.0767  823.374  115.642  823.374  115.642   0.0000   0.0000   28.686   2.0767  ?   ?       ?      ? 
1 1 1  -13   43   22 o   23.716   2.7156  579.699  125.017  579.699  125.017   0.0000   0.0000   23.716   2.7156  ?   ?       ?      ? 
1 1 1  -13   43   23 f   15.044   4.1090  264.143  123.385  264.143  123.385   0.0000   0.0000   15.044   4.1090  ?   ?       ?      ? 
1 1 1  -13   43   24 o   19.874   1.1162  388.777   43.062   0.0000   0.0000  388.777   43.062  ?   ?    19.874   1.1162      ?      ? 
1 1 1  -13   44    1 f   9.8764   2.6106   45.638   57.704   20.519   64.772  142.257  127.033   7.2409   2.9429   12.512   4.3129 -5.270864 5.221231 
1 1 1  -13   44    2 o   41.321   1.0737  1698.67   81.214  1780.58  100.832  1547.39  137.025   42.792   1.2139   39.850   1.7713 2.941738 2.147351 
1 1 1  -13   44    3 o   60.937   0.8942  3631.69   94.816  3657.69  111.833  3565.21  178.812   61.354   0.9390   60.520   1.5221 0.8348427 1.788407 
1 1 1  -13   44    4 o   41.946   0.9035  1752.59   52.992  1771.49   57.753  1651.93  133.290   42.709   0.6966   41.183   1.6673 1.525940 1.806978 
1 1 1  -13   44    5 o   10.949   2.3680   95.103   34.750   91.424   36.169  139.225  125.267   9.5019   2.0230   12.395   4.2822 -2.893538 4.736011 
1 1 1  -13   44    6 o   26.258   1.3832  665.042   34.324  663.959   35.455  681.218  137.008   26.147   0.6985   26.369   2.6767 -0.2222366 2.766307 
1 1 1  -13   44    7 f   54.730   0.8765  2800.49   64.146  2759.35   68.836  3071.86  176.804   53.303   0.6653   56.157   1.6219 -2.853230 1.753049 
1 1 1  -13   44    8 o   46.255   1.6031  2084.45  143.943  2084.45  143.943   0.0000   0.0000   46.255   1.6031  ?   ?       ?      ? 
1 1 1  -13   44    9 o   35.682   1.8639  1242.71  129.101  1242.71  129.101   0.0000   0.0000   35.682   1.8639  ?   ?       ?      ? 
1 1 1  -13   44   10 o   41.031   1.6260  1641.98  129.510  1641.98  129.510   0.0000   0.0000   41.031   1.6260  ?   ?       ?      ? 
1 1 1  -13   44   11 o   54.231   1.4567  2866.94  153.345  2866.94  153.345   0.0000   0.0000   54.231   1.4567  ?   ?       ?      ? 
1 1 1  -13   44   12 o   63.780   1.4675  3967.14  181.686  3967.14  181.686   0.0000   0.0000   63.780   1.4675  ?   ?       ?      ? 
1 1 1  -13   44   13 o   74.139   1.6154  5369.61  232.487  5369.61  232.487   0.0000   0.0000   74.139   1.6154  ?   ?       ?      ? 
1 1 1  -13   44   14 o   16.304   3.4446  276.022  105.603  276.022  105.603   0.0000   0.0000   16.304   3.4446  ?   ?       ?      ? 
1 1 1  -13   44   15 o   19.616   2.8364  383.040  108.006  383.040  108.006   0.0000   0.0000   19.616   2.8364  ?   ?       ?      ? 
1 1 1  -13   44   16 o   30.477   1.8721  912.910  110.753  912.910  110.753   0.0000   0.0000   30.477   1.8721  ?   ?       ?      ? 
1 1 1  -13   44   17 f   42.402   1.7138  1767.89  141.063  1767.89  141.063   0.0000   0.0000   42.402   1.7138  ?   ?       ?      ? 
1 1 1  -13   44   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   44   19 o   13.688   4.2345  205.471  123.986  205.471  123.986   0.0000   0.0000   13.688   4.2345  ?   ?       ?      ? 
1 1 1  -13   44   20 o   21.651   3.2620  487.297  137.096  487.297  137.096   0.0000   0.0000   21.651   3.2620  ?   ?       ?      ? 
1 1 1  -13   44   21 o   16.950   4.2763  330.095  140.697  330.095  140.697   0.0000   0.0000   16.950   4.2763  ?   ?       ?      ? 
1 1 1  -13   44   22 o   13.658   4.6243  216.728  145.925  216.728  145.925   0.0000   0.0000   13.658   4.6243  ?   ?       ?      ? 
1 1 1  -13   44   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   44   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   45    1 o   36.391   1.0934  1333.53   66.530  1379.58   77.345  1202.55  130.451   37.672   1.0577   35.110   1.9140 2.562035 2.186831 
1 1 1  -13   45    2 o   20.204   1.7504  362.670   54.733  340.957   60.363  463.038  129.781   18.707   1.6623   21.700   3.0809 -2.993290 3.500731 
1 1 1  -13   45    3 o   51.574   0.9490  2586.74   80.763  2585.57   92.444  2590.50  165.985   51.583   0.9232   51.564   1.6583 0.1827240E-01 1.897946 
1 1 1  -13   45    4 o   37.631   1.0332  1388.09   48.897  1391.11   52.134  1366.02  140.953   37.845   0.7097   37.417   1.9406 0.4284515 2.066317 
1 1 1  -13   45    5 o   16.999   2.0905  328.032   37.531  336.851   39.442  243.619  122.029   18.613   1.0916   15.384   4.0359 3.229606 4.180964 
1 1 1  -13   45    6 o   31.156   1.0971  962.067   38.762  965.985   40.776  925.304  124.892   31.537   0.6661   30.774   2.0907 0.7629223 2.194190 
1 1 1  -13   45    7 o   15.704   1.9923  267.046   23.178  268.864   23.672  224.774  114.137   16.636   0.7330   14.773   3.9166 1.863866 3.984608 
1 1 1  -13   45    8 o   78.414   1.6285  5996.03  247.889  5996.03  247.889   0.0000   0.0000   78.414   1.6285  ?   ?       ?      ? 
1 1 1  -13   45    9 f   51.535   1.5416  2589.73  154.219  2589.73  154.219   0.0000   0.0000   51.535   1.5416  ?   ?       ?      ? 
1 1 1  -13   45   10 o   13.493   3.8748  186.758  106.832  186.758  106.832   0.0000   0.0000   13.493   3.8748  ?   ?       ?      ? 
1 1 1  -13   45   11 o   48.804   1.3684  2321.60  129.636  2321.60  129.636   0.0000   0.0000   48.804   1.3684  ?   ?       ?      ? 
1 1 1  -13   45   12 o   45.782   1.6252  2047.89  144.432  2047.89  144.432   0.0000   0.0000   45.782   1.6252  ?   ?       ?      ? 
1 1 1  -13   45   13 o   63.774   1.5408  3974.26  190.748  3974.26  190.748   0.0000   0.0000   63.774   1.5408  ?   ?       ?      ? 
1 1 1  -13   45   14 o   39.975   1.4695  1561.58  114.029  1561.58  114.029   0.0000   0.0000   39.975   1.4695  ?   ?       ?      ? 
1 1 1  -13   45   15 o   28.232   2.0974  785.652  114.945  785.652  114.945   0.0000   0.0000   28.232   2.0974  ?   ?       ?      ? 
1 1 1  -13   45   16 o   30.403   1.7867  909.406  105.449  909.406  105.449   0.0000   0.0000   30.403   1.7867  ?   ?       ?      ? 
1 1 1  -13   45   17 o   20.400   2.9219  421.556  115.707  421.556  115.707   0.0000   0.0000   20.400   2.9219  ?   ?       ?      ? 
1 1 1  -13   45   18 o   14.509   4.0706  232.083  119.308  232.083  119.308   0.0000   0.0000   14.509   4.0706  ?   ?       ?      ? 
1 1 1  -13   45   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   45   20 o   24.086   2.6957  593.646  126.036  593.646  126.036   0.0000   0.0000   24.086   2.6957  ?   ?       ?      ? 
1 1 1  -13   45   21 o   23.273   3.2614  573.786  147.340  573.786  147.340   0.0000   0.0000   23.273   3.2614  ?   ?       ?      ? 
1 1 1  -13   45   22 o   18.774   4.1682  410.573  147.947  410.573  147.947   0.0000   0.0000   18.774   4.1682  ?   ?       ?      ? 
1 1 1  -13   45   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   46    1 o   15.455   2.2948  275.032   58.386  308.188   67.036  170.851  118.829   17.763   1.9441   13.147   4.1576 4.615981 4.589681 
1 1 1  -13   46    2 o   11.525   2.6451  128.501   68.848  156.728   91.465   91.599  104.580   12.436   3.5893   10.615   3.8861 1.820959 5.290130 
1 1 1  -13   46    3 o   41.078   0.9392  1617.13   63.734  1594.70   72.752  1691.18  132.166   40.506   0.9253   41.651   1.6347 -1.144974 1.878380 
1 1 1  -13   46    4 o   38.230   0.8168  1403.68   47.654  1392.70   52.886  1451.11  109.881   37.864   0.7195   38.596   1.4666 -0.7327805 1.633601 
1 1 1  -13   46    5 o   14.758   2.0360  233.054   36.778  237.673   39.120  197.904  107.917   15.626   1.2897   13.890   3.8624 1.735800 4.072043 
1 1 1  -13   46    6 o   25.856   1.2911  679.229   36.333  684.981   38.096  621.360  120.836   26.552   0.7391   25.160   2.4741 1.392059 2.582129 
1 1 1  -13   46    7 o   31.591   0.9901  999.937   43.926  1012.82   47.950  932.672  109.550   32.285   0.7651   30.898   1.8265 1.387207 1.980279 
1 1 1  -13   46    8 o   27.275   2.1961  729.312  116.275  729.312  116.275   0.0000   0.0000   27.275   2.1961  ?   ?       ?      ? 
1 1 1  -13   46    9 o   28.099   2.0333  773.255  110.905  773.255  110.905   0.0000   0.0000   28.099   2.0333  ?   ?       ?      ? 
1 1 1  -13   46   10 o   73.275   1.5318  5240.17  217.880  5240.17  217.880   0.0000   0.0000   73.275   1.5318  ?   ?       ?      ? 
1 1 1  -13   46   11 o   46.842   1.4935  2142.01  135.804  2142.01  135.804   0.0000   0.0000   46.842   1.4935  ?   ?       ?      ? 
1 1 1  -13   46   12 o   25.734   2.4636  654.103  123.068  654.103  123.068   0.0000   0.0000   25.734   2.4636  ?   ?       ?      ? 
1 1 1  -13   46   13 o   66.782   1.4881  4359.07  192.909  4359.07  192.909   0.0000   0.0000   66.782   1.4881  ?   ?       ?      ? 
1 1 1  -13   46   14 o   47.239   1.5609  2184.48  143.136  2184.48  143.136   0.0000   0.0000   47.239   1.5609  ?   ?       ?      ? 
1 1 1  -13   46   15 o   9.4890   3.6955   62.867   98.002   62.867   98.002   0.0000   0.0000   9.4890   3.6955  ?   ?       ?      ? 
1 1 1  -13   46   16 f   42.002   1.7068  1737.18  139.158  1737.18  139.158   0.0000   0.0000   42.002   1.7068  ?   ?       ?      ? 
1 1 1  -13   46   17 o   9.5366   3.5140   79.963   85.705   79.963   85.705   0.0000   0.0000   9.5366   3.5140  ?   ?       ?      ? 
1 1 1  -13   46   18 f   8.2861   3.6695 -19.5160  116.886 -19.5160  116.886   0.0000   0.0000   8.2861   3.6695  ?   ?       ?      ? 
1 1 1  -13   46   19 o   8.7317   3.8630 -14.1271  129.224 -14.1271  129.224   0.0000   0.0000   8.7317   3.8630  ?   ?       ?      ? 
1 1 1  -13   46   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   46   21 o   7.9776   3.6304 -43.0784  123.380 -43.0784  123.380   0.0000   0.0000   7.9776   3.6304  ?   ?       ?      ? 
1 1 1  -13   46   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   46   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   47    1 f   27.935   1.4039  759.633   63.319  756.603   71.769  770.276  134.511   27.871   1.3265   28.000   2.4748 -0.1287479 2.807900 
1 1 1  -13   47    2 o   23.354   1.5238  492.427   55.581  466.406   61.568  607.040  129.215   21.876   1.4499   24.832   2.6806 -2.956377 3.047622 
1 1 1  -13   47    3 o   51.645   0.8850  2614.30   64.647  2622.44   70.501  2571.27  162.038   51.955   0.6990   51.335   1.6261 0.6194534 1.769961 
1 1 1  -13   47    4 o   39.806   1.0442  1605.94   52.345  1626.19   55.979  1464.98  147.685   40.912   0.7049   38.700   1.9659 2.212318 2.088463 
1 1 1  -13   47    5 o   43.954   0.9635  1979.60   56.261  2018.32   60.833  1750.69  147.919   45.579   0.6876   42.329   1.8002 3.250114 1.927034 
1 1 1  -13   47    6 o   20.593   1.5150  350.502   33.960  338.594   35.276  501.149  125.468   18.659   0.9739   22.527   2.8692 -3.868137 3.030029 
1 1 1  -13   47    7 o   25.173   0.6269  615.578   30.636  615.578   30.636   0.0000   0.0000   25.173   0.6269  ?   ?       ?      ? 
1 1 1  -13   47    8 o   43.397   1.4801  1837.22  124.688  1837.22  124.688   0.0000   0.0000   43.397   1.4801  ?   ?       ?      ? 
1 1 1  -13   47    9 o   42.735   1.5003  1782.53  124.462  1782.53  124.462   0.0000   0.0000   42.735   1.5003  ?   ?       ?      ? 
1 1 1  -13   47   10 o   55.682   1.4365  3026.25  155.268  3026.25  155.268   0.0000   0.0000   55.682   1.4365  ?   ?       ?      ? 
1 1 1  -13   47   11 o   41.527   1.6518  1687.45  133.158  1687.45  133.158   0.0000   0.0000   41.527   1.6518  ?   ?       ?      ? 
1 1 1  -13   47   12 o   56.817   1.4811  3155.39  163.351  3155.39  163.351   0.0000   0.0000   56.817   1.4811  ?   ?       ?      ? 
1 1 1  -13   47   13 o   41.414   1.4855  1677.75  119.426  1677.75  119.426   0.0000   0.0000   41.414   1.4855  ?   ?       ?      ? 
1 1 1  -13   47   14 o   11.132   4.0334  111.927  112.234  111.927  112.234   0.0000   0.0000   11.132   4.0334  ?   ?       ?      ? 
1 1 1  -13   47   15 o   32.345   1.7407  1030.59  109.290  1030.59  109.290   0.0000   0.0000   32.345   1.7407  ?   ?       ?      ? 
1 1 1  -13   47   16 o   21.315   2.8330  461.101  117.217  461.101  117.217   0.0000   0.0000   21.315   2.8330  ?   ?       ?      ? 
1 1 1  -13   47   17 o   12.685   4.0934  172.395  114.743  172.395  114.743   0.0000   0.0000   12.685   4.0934  ?   ?       ?      ? 
1 1 1  -13   47   18 o   20.884   2.2114  437.393   89.651  437.393   89.651   0.0000   0.0000   20.884   2.2114  ?   ?       ?      ? 
1 1 1  -13   47   19 o   10.229   4.0343   83.634  118.044   83.634  118.044   0.0000   0.0000   10.229   4.0343  ?   ?       ?      ? 
1 1 1  -13   47   20 o   14.978   4.3573  263.102  134.314  263.102  134.314   0.0000   0.0000   14.978   4.3573  ?   ?       ?      ? 
1 1 1  -13   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   48    1 o   16.742   2.0180  267.178   58.078  248.447   68.126  317.004  111.111   15.913   2.2055   17.572   3.3802 -1.658920 4.036089 
1 1 1  -13   48    2 o   29.042   1.2064  861.730   57.531  898.534   66.502  752.255  114.694   30.383   1.1275   27.700   2.1330 2.683613 2.412727 
1 1 1  -13   48    3 o   5.9184   1.9850 -63.6756   40.296 -70.4152   43.682 -25.2008  104.370   3.9095   1.8902   7.9273   3.4912 -4.017719 3.970060 
1 1 1  -13   48    4 f   55.661   0.8315  3015.78   69.895  3015.41   77.475  3017.41  162.013   55.706   0.7165   55.616   1.5007 0.9053040E-01 1.662938 
1 1 1  -13   48    5 o   34.086   0.8564  1102.70   42.324  1088.60   46.253  1175.29  104.943   33.471   0.7119   34.701   1.5579 -1.230137 1.712881 
1 1 1  -13   48    6 o   12.990   1.8370  147.928   32.820  139.315   35.258  203.820   89.821   11.948   1.5202   14.032   3.3448 -2.084537 3.674090 
1 1 1  -13   48    7 o   38.980   0.5917  1476.05   44.772  1476.05   44.772   0.0000   0.0000   38.980   0.5917  ?   ?       ?      ? 
1 1 1  -13   48    8 o   40.653   1.5614  1614.58  123.218  1614.58  123.218   0.0000   0.0000   40.653   1.5614  ?   ?       ?      ? 
1 1 1  -13   48    9 o   39.200   1.5467  1501.74  117.696  1501.74  117.696   0.0000   0.0000   39.200   1.5467  ?   ?       ?      ? 
1 1 1  -13   48   10 o   21.324   2.7588  451.764  114.199  451.764  114.199   0.0000   0.0000   21.324   2.7588  ?   ?       ?      ? 
1 1 1  -13   48   11 o   22.037   2.6088  481.958  111.599  481.958  111.599   0.0000   0.0000   22.037   2.6088  ?   ?       ?      ? 
1 1 1  -13   48   12 o   12.543   3.5843  164.071   91.626  164.071   91.626   0.0000   0.0000   12.543   3.5843  ?   ?       ?      ? 
1 1 1  -13   48   13 o   11.787   3.9916  137.401  108.727  137.401  108.727   0.0000   0.0000   11.787   3.9916  ?   ?       ?      ? 
1 1 1  -13   48   14 o   8.1043   3.4927   1.1468   99.788   1.1468   99.788   0.0000   0.0000   8.1043   3.4927  ?   ?       ?      ? 
1 1 1  -13   48   15 o   46.599   1.6121  2138.45  145.822  2138.45  145.822   0.0000   0.0000   46.599   1.6121  ?   ?       ?      ? 
1 1 1  -13   48   16 o   8.8594   3.5547   48.588   93.187   48.588   93.187   0.0000   0.0000   8.8594   3.5547  ?   ?       ?      ? 
1 1 1  -13   48   17 o   10.363   4.0568   84.245  118.576   84.245  118.576   0.0000   0.0000   10.363   4.0568  ?   ?       ?      ? 
1 1 1  -13   48   18 o   21.817   2.9809  493.399  126.244  493.399  126.244   0.0000   0.0000   21.817   2.9809  ?   ?       ?      ? 
1 1 1  -13   48   19 o   20.567   2.6882  436.140  107.324  436.140  107.324   0.0000   0.0000   20.567   2.6882  ?   ?       ?      ? 
1 1 1  -13   48   20 o   9.4140   3.9165   51.842  118.306   51.842  118.306   0.0000   0.0000   9.4140   3.9165  ?   ?       ?      ? 
1 1 1  -13   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   49    1 o   16.975   2.1084  260.353   60.355  228.020   69.320  361.667  122.707   15.219   2.3463   18.730   3.5037 -3.510993 4.216759 
1 1 1  -13   49    2 o   43.368   0.9798  1810.34   69.983  1789.28   79.828  1880.24  145.464   42.886   0.9589   43.850   1.7089 -0.9645081 1.959567 
1 1 1  -13   49    3 o   9.9318   2.4021   84.829   42.003   85.163   44.800   82.400  120.761   9.1425   2.4672   10.721   4.1223 -1.578536 4.804188 
1 1 1  -13   49    4 o   13.506   2.1839  231.391   40.227  248.357   42.687   96.755  120.248   15.957   1.3781   11.055   4.1448 4.902197 4.367869 
1 1 1  -13   49    5 o   37.545   1.0650  1432.21   48.514  1448.74   51.585  1305.70  142.736   38.610   0.6883   36.480   2.0157 2.130527 2.129931 
1 1 1  -13   49    6 o   49.719   0.9215  2446.89   60.989  2460.80   65.726  2360.75  163.598   50.321   0.6729   49.117   1.7159 1.203960 1.843087 
1 1 1  -13   49    7 o   6.8545   2.0778   46.463   30.044   46.463   30.044   0.0000   0.0000   6.8545   2.0778  ?   ?       ?      ? 
1 1 1  -13   49    8 o   9.7084   3.7646   64.737  101.365   64.737  101.365   0.0000   0.0000   9.7084   3.7646  ?   ?       ?      ? 
1 1 1  -13   49    9 o   19.341   2.9705  373.396  111.523  373.396  111.523   0.0000   0.0000   19.341   2.9705  ?   ?       ?      ? 
1 1 1  -13   49   10 o   15.979   3.6489  268.661  110.697  268.661  110.697   0.0000   0.0000   15.979   3.6489  ?   ?       ?      ? 
1 1 1  -13   49   11 f   28.931   1.8160  822.531  101.983  822.531  101.983   0.0000   0.0000   28.931   1.8160  ?   ?       ?      ? 
1 1 1  -13   49   12 o   12.430   3.8071  161.301  100.506  161.301  100.506   0.0000   0.0000   12.430   3.8071  ?   ?       ?      ? 
1 1 1  -13   49   13 o   14.244   3.7504  218.261  105.126  218.261  105.126   0.0000   0.0000   14.244   3.7504  ?   ?       ?      ? 
1 1 1  -13   49   14 o   25.225   2.1360  633.481  104.590  633.481  104.590   0.0000   0.0000   25.225   2.1360  ?   ?       ?      ? 
1 1 1  -13   49   15 o   28.139   2.1585  790.856  117.903  790.856  117.903   0.0000   0.0000   28.139   2.1585  ?   ?       ?      ? 
1 1 1  -13   49   16 o   10.733   3.9955  104.948  111.354  104.948  111.354   0.0000   0.0000   10.733   3.9955  ?   ?       ?      ? 
1 1 1  -13   49   17 f   20.397   2.6158  424.418  103.574  424.418  103.574   0.0000   0.0000   20.397   2.6158  ?   ?       ?      ? 
1 1 1  -13   49   18 o   7.9961   3.6227 -39.7827  121.152 -39.7827  121.152   0.0000   0.0000   7.9961   3.6227  ?   ?       ?      ? 
1 1 1  -13   49   19 o   22.656   3.1303  543.718  137.665  543.718  137.665   0.0000   0.0000   22.656   3.1303  ?   ?       ?      ? 
1 1 1  -13   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   50    1 o   10.929   2.5189  112.544   58.066  103.915   70.017  131.549  103.916   10.209   3.1861   11.649   3.9025 -1.439818 5.037895 
1 1 1  -13   50    2 o   40.635   0.9405  1622.76   66.765  1638.26   79.010  1584.06  124.854   41.024   0.9922   40.246   1.5981 0.7779312 1.881073 
1 1 1  -13   50    3 o   12.161   2.1159  157.437   39.208  163.074   42.425  124.437  102.648   12.907   1.6933   11.415   3.8783 1.491786 4.231875 
1 1 1  -13   50    4 o   36.421   0.9251  1265.09   46.804  1252.83   50.681  1336.16  122.002   35.899   0.7273   36.942   1.7013 -1.043255 1.850222 
1 1 1  -13   50    5 o   15.111   2.0746  300.594   37.749  322.311   40.256  142.365  108.661   18.187   1.1403   12.036   3.9894 6.150430 4.149175 
1 1 1  -13   50    6 o   20.219   1.5554  406.377   36.338  407.276   38.311  398.322  114.728   20.455   0.9649   19.984   2.9574 0.4701195 3.110824 
1 1 1  -13   50    7 o   26.163   0.7229  665.502   36.716  665.502   36.716   0.0000   0.0000   26.163   0.7229  ?   ?       ?      ? 
1 1 1  -13   50    8 o   32.145   1.9224  1015.57  119.958  1015.57  119.958   0.0000   0.0000   32.145   1.9224  ?   ?       ?      ? 
1 1 1  -13   50    9 o   9.9672   3.8723   69.787  107.404   69.787  107.404   0.0000   0.0000   9.9672   3.8723  ?   ?       ?      ? 
1 1 1  -13   50   10 o   8.6986   3.5454   35.510   94.352   35.510   94.352   0.0000   0.0000   8.6986   3.5454  ?   ?       ?      ? 
1 1 1  -13   50   11 o   23.946   2.0079  566.934   93.335  566.934   93.335   0.0000   0.0000   23.946   2.0079  ?   ?       ?      ? 
1 1 1  -13   50   12 o   21.665   2.6195  471.581  110.165  471.581  110.165   0.0000   0.0000   21.665   2.6195  ?   ?       ?      ? 
1 1 1  -13   50   13 o   17.356   2.8163  305.716   94.886  305.716   94.886   0.0000   0.0000   17.356   2.8163  ?   ?       ?      ? 
1 1 1  -13   50   14 o   34.242   1.8819  1163.19  125.093  1163.19  125.093   0.0000   0.0000   34.242   1.8819  ?   ?       ?      ? 
1 1 1  -13   50   15 o   29.302   1.7786  850.400  101.167  850.400  101.167   0.0000   0.0000   29.302   1.7786  ?   ?       ?      ? 
1 1 1  -13   50   16 o   21.211   2.9408  464.449  121.088  464.449  121.088   0.0000   0.0000   21.211   2.9408  ?   ?       ?      ? 
1 1 1  -13   50   17 o   15.555   3.9650  274.637  120.083  274.637  120.083   0.0000   0.0000   15.555   3.9650  ?   ?       ?      ? 
1 1 1  -13   50   18 o   24.182   2.3599  596.398  110.775  596.398  110.775   0.0000   0.0000   24.182   2.3599  ?   ?       ?      ? 
1 1 1  -13   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   51    1 o   27.356   1.3600  693.083   64.173  647.680   74.122  828.968  128.230   25.738   1.4836   28.975   2.2798 -3.236727 2.720053 
1 1 1  -13   51    2 o   33.783   1.1025  1137.63   51.352  1146.79   55.774  1086.65  131.594   34.334   0.8369   33.232   2.0399 1.101940 2.204921 
1 1 1  -13   51    3 o   21.996   1.5902  478.878   42.757  479.315   45.406  475.453  127.026   22.182   1.0545   21.809   3.0004 0.3721619 3.180350 
1 1 1  -13   51    4 f   17.602   2.1619  409.735   41.498  435.877   44.089  206.776  122.848   21.151   1.0738   14.054   4.1884 7.096755 4.323898 
1 1 1  -13   51    5 o   22.038   1.4825  475.740   40.497  474.913   43.063  482.065  119.101   22.082   1.0046   21.994   2.7896 0.8755302E-01 2.964956 
1 1 1  -13   51    6 o   34.744   0.8330  1072.13   41.763  1024.86   45.285  1341.12  108.022   32.465   0.7186   37.024   1.5030 -4.558765 1.665965 
1 1 1  -13   51    7 o   23.042   0.8296  516.652   37.106  516.652   37.106   0.0000   0.0000   23.042   0.8296  ?   ?       ?      ? 
1 1 1  -13   51    8 o   7.8368   1.2868   60.007   19.576   60.007   19.576   0.0000   0.0000   7.8368   1.2868  ?   ?       ?      ? 
1 1 1  -13   51    9 o   22.143   2.4386  488.510  104.819  488.510  104.819   0.0000   0.0000   22.143   2.4386  ?   ?       ?      ? 
1 1 1  -13   51   10 o   35.900   1.4086  1263.07   98.162  1263.07   98.162   0.0000   0.0000   35.900   1.4086  ?   ?       ?      ? 
1 1 1  -13   51   11 o   7.8220   3.5082 -36.3889  110.384 -36.3889  110.384   0.0000   0.0000   7.8220   3.5082  ?   ?       ?      ? 
1 1 1  -13   51   12 o   24.007   2.3014  577.004  107.250  577.004  107.250   0.0000   0.0000   24.007   2.3014  ?   ?       ?      ? 
1 1 1  -13   51   13 o   25.065   2.2254  628.609  108.276  628.609  108.276   0.0000   0.0000   25.065   2.2254  ?   ?       ?      ? 
1 1 1  -13   51   14 o   29.263   1.9694  852.089  111.872  852.089  111.872   0.0000   0.0000   29.263   1.9694  ?   ?       ?      ? 
1 1 1  -13   51   15 o   9.4437   3.8082   58.624  107.538   58.624  107.538   0.0000   0.0000   9.4437   3.8082  ?   ?       ?      ? 
1 1 1  -13   51   16 o   41.951   1.5226  1740.59  123.992  1740.59  123.992   0.0000   0.0000   41.951   1.5226  ?   ?       ?      ? 
1 1 1  -13   51   17 o   18.079   3.7289  366.104  126.518  366.104  126.518   0.0000   0.0000   18.079   3.7289  ?   ?       ?      ? 
1 1 1  -13   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   52    1 o   21.363   1.5055  419.703   57.478  376.604   67.610  532.047  109.158   19.578   1.7790   23.148   2.4293 -3.570492 3.011024 
1 1 1  -13   52    2 o   37.645   0.9073  1325.53   52.746  1289.30   58.508  1482.82  121.893   36.399   0.8281   38.892   1.6146 -2.492970 1.814533 
1 1 1  -13   52    3 o   17.793   1.9007  370.418   43.200  393.352   47.271  254.232  106.399   20.074   1.2131   15.511   3.6027 4.563202 3.801411 
1 1 1  -13   52    4 o   27.533   1.1697  675.907   44.631  649.347   48.006  845.130  121.175   25.819   0.9578   29.247   2.1343 -3.428217 2.339422 
1 1 1  -13   52    5 f   25.246   1.3535  636.935   41.558  639.626   44.135  615.890  123.429   25.630   0.8871   24.861   2.5576 0.7690830 2.707078 
1 1 1  -13   52    6 o   27.632   0.8061  743.142   43.241  743.142   43.241   0.0000   0.0000   27.632   0.8061  ?   ?       ?      ? 
1 1 1  -13   52    7 o   3.1927   1.5715 -71.9491   34.318 -71.9491   34.318   0.0000   0.0000   3.1927   1.5715  ?   ?       ?      ? 
1 1 1  -13   52    8 o   20.040   0.7601  390.879   29.570  390.879   29.570   0.0000   0.0000   20.040   0.7601  ?   ?       ?      ? 
1 1 1  -13   52    9 o   21.307   2.2744  452.511   94.070  452.511   94.070   0.0000   0.0000   21.307   2.2744  ?   ?       ?      ? 
1 1 1  -13   52   10 o   33.804   1.7347  1128.02  113.832  1128.02  113.832   0.0000   0.0000   33.804   1.7347  ?   ?       ?      ? 
1 1 1  -13   52   11 o   36.330   1.7939  1306.38  126.509  1306.38  126.509   0.0000   0.0000   36.330   1.7939  ?   ?       ?      ? 
1 1 1  -13   52   12 f   9.3987   3.4841   77.049   84.497   77.049   84.497   0.0000   0.0000   9.3987   3.4841  ?   ?       ?      ? 
1 1 1  -13   52   13 o   24.159   2.5063  590.108  117.538  590.108  117.538   0.0000   0.0000   24.159   2.5063  ?   ?       ?      ? 
1 1 1  -13   52   14 o   12.232   3.7546  163.213   97.694  163.213   97.694   0.0000   0.0000   12.232   3.7546  ?   ?       ?      ? 
1 1 1  -13   52   15 o   13.216   4.1509  196.969  118.634  196.969  118.634   0.0000   0.0000   13.216   4.1509  ?   ?       ?      ? 
1 1 1  -13   52   16 o   13.973   3.8923  222.537  109.494  222.537  109.494   0.0000   0.0000   13.973   3.8923  ?   ?       ?      ? 
1 1 1  -13   52   17 o   24.376   2.1568  603.111  102.056  603.111  102.056   0.0000   0.0000   24.376   2.1568  ?   ?       ?      ? 
1 1 1  -13   52   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   52   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   53    1 o   26.726   1.4147  640.737   65.734  568.759   75.746  860.296  132.294   24.056   1.6221   29.396   2.3183 -5.340023 2.829449 
1 1 1  -13   53    2 o   30.531   1.2313  988.707   51.499  1021.85   56.278  818.017  127.707   32.386   0.8952   28.676   2.2942 3.709951 2.462689 
1 1 1  -13   53    3 o   23.015   1.6822  619.747   46.435  652.139   49.961  414.254  125.836   25.860   0.9953   20.170   3.2138 5.689892 3.364415 
1 1 1  -13   53    4 o   7.0966   2.1619   15.724   41.828   25.827   44.932 -49.9247  114.536   6.3959   2.4991   7.7972   3.5284 -1.401294 4.323750 
1 1 1  -13   53    5 o   28.269   1.1625  811.655   42.935  821.245   46.208  751.070  116.142   29.040   0.8197   27.498   2.1758 1.541981 2.325094 
1 1 1  -13   53    6 o   12.619   1.6501  156.693   40.420  156.693   40.420   0.0000   0.0000   12.619   1.6501  ?   ?       ?      ? 
1 1 1  -13   53    7 o   42.689   0.6660  1772.89   55.191  1772.89   55.191   0.0000   0.0000   42.689   0.6660  ?   ?       ?      ? 
1 1 1  -13   53    8 o   4.0238   1.7966 -11.2613   28.605 -11.2613   28.605   0.0000   0.0000   4.0238   1.7966  ?   ?       ?      ? 
1 1 1  -13   53    9 o   22.186   2.4390  494.974  105.040  494.974  105.040   0.0000   0.0000   22.186   2.4390  ?   ?       ?      ? 
1 1 1  -13   53   10 o   10.464   3.9133   97.145  107.059   97.145  107.059   0.0000   0.0000   10.464   3.9133  ?   ?       ?      ? 
1 1 1  -13   53   11 o   20.076   2.5596  407.381   99.749  407.381   99.749   0.0000   0.0000   20.076   2.5596  ?   ?       ?      ? 
1 1 1  -13   53   12 o   20.610   2.7091  433.046  108.382  433.046  108.382   0.0000   0.0000   20.610   2.7091  ?   ?       ?      ? 
1 1 1  -13   53   13 f   10.577   3.8890  106.752  104.897  106.752  104.897   0.0000   0.0000   10.577   3.8890  ?   ?       ?      ? 
1 1 1  -13   53   14 o   14.805   3.8225  246.885  110.612  246.885  110.612   0.0000   0.0000   14.805   3.8225  ?   ?       ?      ? 
1 1 1  -13   53   15 o   15.266   3.4394  258.101   99.478  258.101   99.478   0.0000   0.0000   15.266   3.4394  ?   ?       ?      ? 
1 1 1  -13   53   16 o   12.160   4.2121  165.548  121.237  165.548  121.237   0.0000   0.0000   12.160   4.2121  ?   ?       ?      ? 
1 1 1  -13   53   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   53   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   54    1 o   12.152   2.3040  152.866   48.245  152.458   54.113  154.445  106.518   12.150   2.3796   12.155   3.9461 -0.5032539E-02 4.608034 
1 1 1  -13   54    2 o   16.765   2.0777  362.734   47.029  402.594   52.159  189.441  108.755   20.269   1.3257   13.261   3.9383 7.008137 4.155456 
1 1 1  -13   54    3 o   7.9167   2.3095   29.684   44.580   28.946   48.549   33.652  112.568   6.6632   2.5993   9.1703   3.8182 -2.507065 4.618995 
1 1 1  -13   54    4 o   19.632   1.8311  397.710   44.630  399.593   47.893  385.283  123.025   20.206   1.2210   19.058   3.4526 1.148539 3.662154 
1 1 1  -13   54    5 o   16.593   2.1679  317.339   40.866  325.862   43.237  245.968  125.120   18.245   1.2208   14.940   4.1604 3.305105 4.335859 
1 1 1  -13   54    6 o   29.491   0.8372  847.655   47.930  847.655   47.930   0.0000   0.0000   29.491   0.8372  ?   ?       ?      ? 
1 1 1  -13   54    7 o   9.6307   2.0177   95.540   36.514   95.540   36.514   0.0000   0.0000   9.6307   2.0177  ?   ?       ?      ? 
1 1 1  -13   54    8 o   12.693   1.2932  158.001   31.862  158.001   31.862   0.0000   0.0000   12.693   1.2932  ?   ?       ?      ? 
1 1 1  -13   54    9 o   51.371   1.5478  2599.91  154.343  2599.91  154.343   0.0000   0.0000   51.371   1.5478  ?   ?       ?      ? 
1 1 1  -13   54   10 o   8.8324   3.6631   35.155  103.024   35.155  103.024   0.0000   0.0000   8.8324   3.6631  ?   ?       ?      ? 
1 1 1  -13   54   11 f   9.5248   3.4952   82.830   84.667   82.830   84.667   0.0000   0.0000   9.5248   3.4952  ?   ?       ?      ? 
1 1 1  -13   54   12 o   10.673   4.0272  105.175  113.894  105.175  113.894   0.0000   0.0000   10.673   4.0272  ?   ?       ?      ? 
1 1 1  -13   54   13 o   20.214   2.4621  416.878   96.612  416.878   96.612   0.0000   0.0000   20.214   2.4621  ?   ?       ?      ? 
1 1 1  -13   54   14 o   11.304   4.0529  133.820  112.968  133.820  112.968   0.0000   0.0000   11.304   4.0529  ?   ?       ?      ? 
1 1 1  -13   54   15 o   27.180   2.1452  749.481  113.187  749.481  113.187   0.0000   0.0000   27.180   2.1452  ?   ?       ?      ? 
1 1 1  -13   54   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   54   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   55    1 o   31.103   1.1714  878.553   52.866  842.756   57.470  1075.49  134.799   29.374   1.0079   32.833   2.1150 -3.459078 2.342875 
1 1 1  -13   55    2 o   12.194   2.4697  144.580   47.077  140.743   50.505  170.006  130.013   11.661   2.3129   12.727   4.3645 -1.066046 4.939475 
1 1 1  -13   55    3 o   30.626   1.1859  899.043   49.900  887.887   53.907  965.832  131.902   30.166   0.9206   31.086   2.1859 -0.9198246 2.371813 
1 1 1  -13   55    4 o   10.219   2.3718   82.168   41.835   69.386   45.305  156.148  108.996   8.2746   2.5597   12.164   3.9938 -3.889236 4.743690 
1 1 1  -13   55    5 o   38.251   0.8586  1476.66   50.923  1507.37   57.249  1360.27  111.449   39.340   0.7497   37.161   1.5450 2.178749 1.717253 
1 1 1  -13   55    6 o   27.961   0.8638  762.377   46.884  762.377   46.884   0.0000   0.0000   27.961   0.8638  ?   ?       ?      ? 
1 1 1  -13   55    7 o   13.803   1.4018  187.228   37.559  187.228   37.559   0.0000   0.0000   13.803   1.4018  ?   ?       ?      ? 
1 1 1  -13   55    8 o   21.582   0.8526  454.273   35.721  454.273   35.721   0.0000   0.0000   21.582   0.8526  ?   ?       ?      ? 
1 1 1  -13   55    9 o   15.394   3.8643  263.314  115.299  263.314  115.299   0.0000   0.0000   15.394   3.8643  ?   ?       ?      ? 
1 1 1  -13   55   10 o   27.261   1.9104  741.260  101.093  741.260  101.093   0.0000   0.0000   27.261   1.9104  ?   ?       ?      ? 
1 1 1  -13   55   11 o   9.3740   3.8133   56.350  108.882   56.350  108.882   0.0000   0.0000   9.3740   3.8133  ?   ?       ?      ? 
1 1 1  -13   55   12 o   11.405   3.9282  138.728  105.375  138.728  105.375   0.0000   0.0000   11.405   3.9282  ?   ?       ?      ? 
1 1 1  -13   55   13 o   15.294   3.8516  266.924  114.280  266.924  114.280   0.0000   0.0000   15.294   3.8516  ?   ?       ?      ? 
1 1 1  -13   55   14 o   22.989   2.3040  540.066  102.816  540.066  102.816   0.0000   0.0000   22.989   2.3040  ?   ?       ?      ? 
1 1 1  -13   55   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   55   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   56    1 o   13.790   2.1727  255.075   49.558  292.729   54.821   86.724  115.917   17.215   1.6405   10.364   4.0239 6.850703 4.345408 
1 1 1  -13   56    2 o   22.792   1.4322  498.228   49.449  486.869   54.634  549.690  116.287   22.281   1.2632   23.302   2.5709 -1.020210 2.864422 
1 1 1  -13   56    3 f   9.5767   2.3203   92.999   45.571  104.102   49.337   28.500  118.917   9.9612   2.5428   9.1921   3.8819 0.7690878 4.640622 
1 1 1  -13   56    4 o   32.950   1.1913  1128.18   49.999  1147.61   53.674  1000.70  137.493   34.312   0.8058   31.589   2.2423 2.723476 2.382662 
1 1 1  -13   56    5 o   23.816   1.0033  554.268   46.382  554.268   46.382   0.0000   0.0000   23.816   1.0033  ?   ?       ?      ? 
1 1 1  -13   56    6 f   9.2869   2.3264   90.157   41.850   90.157   41.850   0.0000   0.0000   9.2869   2.3264  ?   ?       ?      ? 
1 1 1  -13   56    7 o   26.350   0.8343  677.313   42.676  677.313   42.676   0.0000   0.0000   26.350   0.8343  ?   ?       ?      ? 
1 1 1  -13   56    8 o   14.909   1.2075  218.161   34.947  218.161   34.947   0.0000   0.0000   14.909   1.2075  ?   ?       ?      ? 
1 1 1  -13   56    9 o   9.1300   3.7084   52.675  102.774   52.675  102.774   0.0000   0.0000   9.1300   3.7084  ?   ?       ?      ? 
1 1 1  -13   56   10 o   29.460   1.9934  870.698  113.997  870.698  113.997   0.0000   0.0000   29.460   1.9934  ?   ?       ?      ? 
1 1 1  -13   56   11 o   6.7259   3.1804 -102.5358  109.667 -102.5358  109.667   0.0000   0.0000   6.7259   3.1804  ?   ?       ?      ? 
1 1 1  -13   56   12 o   16.079   2.9465  277.980   88.575  277.980   88.575   0.0000   0.0000   16.079   2.9465  ?   ?       ?      ? 
1 1 1  -13   56   13 o   9.2398   3.8644   48.093  116.047   48.093  116.047   0.0000   0.0000   9.2398   3.8644  ?   ?       ?      ? 
1 1 1  -13   56   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   56   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   57    1 o   7.6823   2.3138   23.964   51.377   37.305   56.425 -40.7461  124.271   7.2291   2.8072   8.1356   3.6789 -0.9065166 4.627612 
1 1 1  -13   57    2 o   18.023   2.0536  336.917   48.545  335.765   52.510  343.691  127.343   18.451   1.4661   17.595   3.8365 0.8557243 4.107100 
1 1 1  -13   57    3 o   8.2072   2.3844   32.573   45.648   27.547   49.400   61.940  119.413   6.6054   2.6083   9.8089   3.9922 -3.203566 4.768766 
1 1 1  -13   57    4 o   15.907   1.7430  203.715   41.590  177.888   45.052  352.658  108.190   13.385   1.7339   18.430   3.0242 -5.044108 3.485969 
1 1 1  -13   57    5 o   19.761   1.2085  383.297   46.357  383.297   46.357   0.0000   0.0000   19.761   1.2085  ?   ?       ?      ? 
1 1 1  -13   57    6 o   20.643   1.1043  417.625   44.252  417.625   44.252   0.0000   0.0000   20.643   1.1043  ?   ?       ?      ? 
1 1 1  -13   57    7 o   5.3858   2.2659   6.1403   40.270   6.1403   40.270   0.0000   0.0000   5.3858   2.2659  ?   ?       ?      ? 
1 1 1  -13   57    8 o   22.744   0.8709  505.336   38.450  505.336   38.450   0.0000   0.0000   22.744   0.8709  ?   ?       ?      ? 
1 1 1  -13   57    9 o   32.783   1.6781  1069.21  106.789  1069.21  106.789   0.0000   0.0000   32.783   1.6781  ?   ?       ?      ? 
1 1 1  -13   57   10 o   24.574   2.5112  620.454  119.787  620.454  119.787   0.0000   0.0000   24.574   2.5112  ?   ?       ?      ? 
1 1 1  -13   57   11 o   16.885   3.1418  310.617   99.190  310.617   99.190   0.0000   0.0000   16.885   3.1418  ?   ?       ?      ? 
1 1 1  -13   57   12 o   7.7744   3.5005 -24.4638  111.107 -24.4638  111.107   0.0000   0.0000   7.7744   3.5005  ?   ?       ?      ? 
1 1 1  -13   57   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   57   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   58    1 f   21.332   1.6176  417.253   53.199  391.039   58.655  538.821  126.313   19.878   1.5201   22.786   2.8557 -2.907787 3.235100 
1 1 1  -13   58    2 o   27.397   1.2940  723.193   63.907  681.946   76.311  820.048  116.938   26.259   1.4971   28.535   2.1111 -2.275492 2.588052 
1 1 1  -13   58    3 o   28.516   1.3148  863.845   51.302  887.972   56.005  738.027  127.895   30.130   0.9575   26.901   2.4492 3.229324 2.629696 
1 1 1  -13   58    4 o   8.0412   2.3994   24.303   44.584   19.525   47.588   58.602  127.501   6.2226   2.5248   9.8599   4.0809 -3.637282 4.798847 
1 1 1  -13   58    5 f   25.662   1.0113  644.826   50.378  644.826   50.378   0.0000   0.0000   25.662   1.0113  ?   ?       ?      ? 
1 1 1  -13   58    6 o   9.2850   2.4238   91.197   44.155   91.197   44.155   0.0000   0.0000   9.2850   2.4238  ?   ?       ?      ? 
1 1 1  -13   58    7 o   15.157   1.3773  226.826   40.525  226.826   40.525   0.0000   0.0000   15.157   1.3773  ?   ?       ?      ? 
1 1 1  -13   58    8 f   17.863   1.1210  313.359   38.871  313.359   38.871   0.0000   0.0000   17.863   1.1210  ?   ?       ?      ? 
1 1 1  -13   58    9 o   11.972   1.3084  141.436   30.407  141.436   30.407   0.0000   0.0000   11.972   1.3084  ?   ?       ?      ? 
1 1 1  -13   58   10 o   9.8151   3.9123   79.448  112.104   79.448  112.104   0.0000   0.0000   9.8151   3.9123  ?   ?       ?      ? 
1 1 1  -13   58   11 o   9.7472   3.5923   94.893   89.577   94.893   89.577   0.0000   0.0000   9.7472   3.5923  ?   ?       ?      ? 
1 1 1  -13   58   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   59    1 o   14.221   2.3363  259.998   53.283  284.555   58.386  137.634  130.330   16.874   1.7825   11.567   4.3193 5.306549 4.672689 
1 1 1  -13   59    2 o   8.7800   2.1649   79.806   50.022  116.107   54.076 -135.4261  131.673   10.405   2.6654   7.1547   3.4122 3.250625 4.329803 
1 1 1  -13   59    3 o   14.701   2.2343  258.591   47.434  271.748   51.731  189.120  118.873   16.534   1.6118   12.869   4.1679 3.665234 4.468667 
1 1 1  -13   59    4 o   16.508   1.8729  243.309   45.998  219.598   50.396  361.650  112.589   14.830   1.7506   18.185   3.3115 -3.354783 3.745745 
1 1 1  -13   59    5 o   4.7431   2.2098 -41.2175   49.671 -41.2175   49.671   0.0000   0.0000   4.7431   2.2098  ?   ?       ?      ? 
1 1 1  -13   59    6 o   27.551   0.9619  743.391   51.443  743.391   51.443   0.0000   0.0000   27.551   0.9619  ?   ?       ?      ? 
1 1 1  -13   59    7 f   3.9888   1.8946 -46.2835   39.762 -46.2835   39.762   0.0000   0.0000   3.9888   1.8946  ?   ?       ?      ? 
1 1 1  -13   59    8 o   25.064   2.1297  638.727  103.617  638.727  103.617   0.0000   0.0000   25.064   2.1297  ?   ?       ?      ? 
1 1 1  -13   59    9 o   14.449   3.9617  246.306  114.439  246.306  114.439   0.0000   0.0000   14.449   3.9617  ?   ?       ?      ? 
1 1 1  -13   59   10 o   32.894   1.7028  1086.08  108.725  1086.08  108.725   0.0000   0.0000   32.894   1.7028  ?   ?       ?      ? 
1 1 1  -13   59   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   60    1 o   27.172   1.4451  786.963   54.448  806.399   59.602  688.925  133.861   28.653   1.0716   25.691   2.6841 2.961550 2.890151 
1 1 1  -13   60    2 o   12.601   2.2681  187.795   49.178  200.625   54.379  130.191  115.225   14.091   1.9881   11.111   4.0774 2.979538 4.536286 
1 1 1  -13   60    3 o   11.133   2.4289  132.667   46.509  134.848   49.865  118.083  128.962   11.282   2.3531   10.984   4.2498 0.2979136 4.857781 
1 1 1  -13   60    4 o   14.693   2.3058  245.533   47.566  249.838   51.303  219.172  126.957   15.813   1.6713   13.572   4.2980 2.240749 4.611557 
1 1 1  -13   60    5 o   18.422   1.5167  337.515   54.236  337.515   54.236   0.0000   0.0000   18.422   1.5167  ?   ?       ?      ? 
1 1 1  -13   60    6 o   7.2660   2.6356   48.334   47.945   48.334   47.945   0.0000   0.0000   7.2660   2.6356  ?   ?       ?      ? 
1 1 1  -13   60    7 o   14.471   3.5135  239.634   97.707  239.634   97.707   0.0000   0.0000   14.471   3.5135  ?   ?       ?      ? 
1 1 1  -13   60    8 o   21.557   2.8298  494.222  118.418  494.222  118.418   0.0000   0.0000   21.557   2.8298  ?   ?       ?      ? 
1 1 1  -13   60    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -13   61    1 f   8.5431   2.3211   67.555   52.178   90.303   57.178 -45.7176  127.590   9.1601   2.8825   7.9261   3.6389 1.233990 4.642211 
1 1 1  -13   61    2 o   8.7382   2.5059   52.346   49.065   48.698   52.650   76.437  135.294   7.3941   2.7484   10.082   4.1909 -2.688018 5.011721 
1 1 1  -13   61    3 f   7.7373   2.1636   46.514   48.222   74.384   52.905 -90.3299  117.233   8.4431   2.7830   7.0315   3.3137 1.411616 4.327296 
1 1 1  -13   61    4 o   15.848   1.6985  252.203   52.252  252.203   52.252   0.0000   0.0000   15.848   1.6985  ?   ?       ?      ? 
1 1 1  -13   61    5 f   8.5865   2.7791   77.859   52.860   77.859   52.860   0.0000   0.0000   8.5865   2.7791  ?   ?       ?      ? 
1 1 1  -13   61    6 o   6.9610   3.1866 -39.6545   96.879 -39.6545   96.879   0.0000   0.0000   6.9610   3.1866  ?   ?       ?      ? 
1 1 1  -12    0    1 o  353.463   2.6448 119857.90  1751.70 115792.30  2189.72 127083.90  2919.26  345.278   3.2677  361.649   4.1596 -0.000000 0.000000 
1 1 1  -12    0    2 o  520.934   3.0844 263450.09  3114.21 260028.70  4280.51 267297.41  4539.17  517.354   4.2629  524.513   4.4589 -0.000000 0.000000 
1 1 1  -12    0    3 o  268.440   2.0736 69995.63  1080.14 70802.94  1524.99 69182.87  1530.12  269.996   2.9104  266.885   2.9543 -0.000000 0.000000 
1 1 1  -12    0    4 o  304.100   2.1904 89824.30  1292.67 90841.65  1827.55 88805.71  1828.66  305.825   3.0791  302.375   3.1162 -0.000000 0.000000 
1 1 1  -12    0    5 o  265.941   2.0612 68697.52  1063.77 69132.70  1500.95 68258.34  1507.86  266.789   2.8990  265.093   2.9310 -0.000000 0.000000 
1 1 1  -12    0    6 o  194.044   1.7430 36573.39  656.271 36532.74  922.744 36614.99  933.564  193.936   2.4520  194.152   2.4780 -0.000000 0.000000 
1 1 1  -12    0    7 o  159.090   1.5562 24577.69  480.313 24062.37  672.749 25113.47  685.976  157.389   2.2030  160.792   2.1987 -0.000000 0.000000 
1 1 1  -12    0    8 o  245.284   2.0292 58433.61  965.745 58025.36  1352.81 58857.89  1379.10  244.411   2.8522  246.156   2.8871 -0.000000 0.000000 
1 1 1  -12    0    9 o  316.253   2.2659 97143.85  1390.42 96478.75  1944.50 97839.71  1988.96  315.147   3.1793  317.358   3.2293 -0.000000 0.000000 
1 1 1  -12    0   10 o  142.107   2.2588 19580.10  506.592 19534.67  569.618 19751.98  1107.98  141.803   2.0703  142.412   4.0152 -0.000000 0.000000 
1 1 1  -12    0   11 o  142.551   2.2282 19385.61  498.762 19124.62  558.270 20417.73  1110.21  140.305   2.0508  144.797   3.9565 -0.000000 0.000000 
1 1 1  -12    0   12 o   52.184   3.1007  2645.15  112.177  2640.78  114.216  2764.17  596.395   52.122   1.1301   52.246   6.0975 -0.000000 0.000000 
1 1 1  -12    0   13 o   12.767   5.1178  114.811   64.720  110.931   65.288  335.022  491.888   9.0101   3.7448   16.524   9.5260 -0.000000 0.000000 
1 1 1  -12    0   14 o  171.660   2.3762 28371.13  685.311 28075.50  789.607 29273.72  1379.69  169.969   2.3943  173.350   4.1053 -0.000000 0.000000 
1 1 1  -12    0   15 o   44.861   5.0141  2407.97  106.604  2423.63  107.996  1812.39  665.926   49.929   1.1155   39.793   9.9659 -0.000000 0.000000 
1 1 1  -12    0   16 o  108.842   2.7534 12185.36  387.451 12412.51  417.237 10762.67  1044.20  113.003   1.9033  104.681   5.1674 -0.000000 0.000000 
1 1 1  -12    0   17 o  169.626   3.2291 28157.25  1058.58 27393.66  1543.18 28835.91  1454.83  167.398   4.7577  171.854   4.3674 -0.000000 0.000000 
1 1 1  -12    0   18 o   45.398   7.0851  2547.16  507.432  1551.13  783.876  3265.59  665.744   34.039   12.725   56.757   6.2342 -0.000000 0.000000 
1 1 1  -12    0   19 o   18.204   7.2983  401.098  414.392  639.311  587.185  164.737  584.898   20.940   10.970   15.468   9.6295 -0.000000 0.000000 
1 1 1  -12    0   20 o   60.322   3.3600  3466.30  150.253  3453.13  153.296  3788.27  757.779   59.587   1.3268   61.057   6.5877 -0.000000 0.000000 
1 1 1  -12    0   21 o   87.173   3.3482  8043.58  279.885  8136.51  290.835  6878.53  1029.74   91.474   1.6391   82.872   6.4928 -0.000000 0.000000 
1 1 1  -12    0   22 o   27.453   6.1929  1071.90  107.802  1079.63  108.810  660.033  793.828   33.204   1.6983   21.701   12.269 -0.000000 0.000000 
1 1 1  -12    0   23 o   54.438   6.2315  3494.61  161.811  3511.80  163.910  2836.48  1014.34   60.075   1.4073   48.802   12.383 -0.000000 0.000000 
1 1 1  -12    0   24 o   13.069   7.0791 -79.9588  104.242 -81.7931  104.566  214.610  1325.11   4.8108   3.3226   21.328   13.763 -0.000000 0.000000 
1 1 1  -12    0   25 o   26.656   5.7759  1302.72  126.563  1324.59  127.240 -737.0704  1228.90   36.777   1.7920   16.535   11.412 -0.000000 0.000000 
1 1 1  -12    0   26 o   33.097   7.4538  1587.84  131.484  1594.20  132.307  1081.51  1180.17   40.379   1.6948   25.815   14.811 -0.000000 0.000000 
1 1 1  -12    0   27 o   23.547   6.8702  720.091  126.547  725.240  127.016   26.974  1473.59   26.915   2.4795   20.180   13.515 -0.000000 0.000000 
1 1 1  -12    0   28 o   5.2040   3.5997 -96.5242  123.962 -96.5242  123.962   0.0000   0.0000   5.2040   3.5997   5.2040   3.5997 -0.000000 0.000000 
1 1 1  -12    0   29 o   5.7722   3.9076 -58.4952  129.568 -58.4952  129.568   0.0000   0.0000   5.7722   3.9076   5.7722   3.9076 -0.000000 0.000000 
1 1 1  -12    0   30 o   22.180   2.9581  512.112  121.021  512.112  121.021   0.0000   0.0000   22.180   2.9581   22.180   2.9581 -0.000000 0.000000 
1 1 1  -12    0   31 o   4.5295   3.2405 -191.7528  130.932 -191.7528  130.932   0.0000   0.0000   4.5295   3.2405   4.5295   3.2405 -0.000000 0.000000 
1 1 1  -12    0   32 o   6.2241   4.1372 -21.3376  133.633 -21.3376  133.633   0.0000   0.0000   6.2241   4.1372   6.2241   4.1372 -0.000000 0.000000 
1 1 1  -12    0   33 o   17.505   4.8789  385.090  143.428  385.090  143.428   0.0000   0.0000   17.505   4.8789   17.505   4.8789 -0.000000 0.000000 
1 1 1  -12    1    1 o  291.373   1.5280 82432.52  864.236 82337.42  1220.14 82528.28  1224.30  291.204   2.1585  291.541   2.1633 -0.3370361 3.055978 
1 1 1  -12    1    2 o   82.622   0.7035  6626.16  112.832  6592.20  159.356  6660.30  159.782   82.410   0.9961   82.835   0.9937 -0.4245834 1.407029 
1 1 1  -12    1    3 o  189.005   1.2114 34679.93  444.456 34527.02  626.769 34834.59  630.359  188.586   1.7121  189.424   1.7143 -0.8380432 2.422842 
1 1 1  -12    1    4 f  151.505   1.0687 22281.55  314.281 22046.19  442.552 22521.02  446.393  150.698   1.5128  152.312   1.5098 -1.614304 2.137322 
1 1 1  -12    1    5 o  366.754   1.6954 130596.50  1206.82 131899.00  1723.97 129344.90  1689.93  368.546   2.4098  364.962   2.3854 3.583893 3.390716 
1 1 1  -12    1    6 o   61.012   0.7023  3655.94   79.432  3465.93  132.050  3763.68   99.433   59.754   1.1384   62.269   0.8226 -2.515587 1.404529 
1 1 1  -12    1    7 o  396.753   1.7667 152874.41  1360.67 153017.59  1926.17 152731.59  1922.41  396.939   2.4998  396.568   2.4973 0.3708496 3.533450 
1 1 1  -12    1    8 o  244.723   1.4136 58147.32  671.534 57697.24  946.680 58603.17  952.732  243.769   2.0006  245.676   1.9978 -1.906448 2.827265 
1 1 1  -12    1    9 o  123.774   0.9514 14871.75  228.577 14751.80  322.039 14993.54  324.489  123.271   1.3458  124.277   1.3451 -1.005951 1.902731 
1 1 1  -12    1   10 o  231.716   1.6183 52148.37  727.888 52408.77  1030.80 51889.39  1027.99  232.294   2.2860  231.139   2.2911 1.154205 3.236499 
1 1 1  -12    1   11 o   93.071   1.0193  8410.87  184.130  8336.69  261.646  8483.65  259.169   92.664   1.4546   93.478   1.4283 -0.8137054 2.038555 
1 1 1  -12    1   12 o  200.973   1.5052 39231.78  587.182 38979.14  825.891 39490.00  834.986  200.319   2.1239  201.626   2.1334 -1.307693 3.010362 
1 1 1  -12    1   13 o   81.915   0.9605  6513.40  152.700  6603.87  218.841  6427.56  213.171   82.469   1.3670   81.361   1.3497 1.107880 1.921074 
1 1 1  -12    1   14 o   76.370   0.9642  5659.81  142.895  5519.72  199.026  5808.85  205.288   75.396   1.3599   77.345   1.3673 -1.949265 1.928419 
1 1 1  -12    1   15 o   55.334   0.8098  2972.85   86.978  2932.43  122.793  3013.55  123.219   54.957   1.1510   55.712   1.1394 -0.7551498 1.619583 
1 1 1  -12    1   16 o  100.001   1.1015  9714.29  213.828  9690.09  302.376  9738.51  302.421   99.876   1.5596  100.125   1.5560 -0.2494125 2.203065 
1 1 1  -12    1   17 o   19.698   5.0225   37.337  321.461  712.838  436.365 -764.3091  475.366   26.549   7.8897   12.847   6.2172 13.70235 10.04495 
1 1 1  -12    1   18 o   33.260   5.1870  1145.23  326.106  1242.12  456.381  1044.15  466.140   34.779   7.0022   31.742   7.6542 3.037519 10.37392 
1 1 1  -12    1   19 o   72.091   2.8698  5044.71  392.129  5282.48  632.686  4896.41  499.672   73.398   4.4406   70.783   3.6365 2.614403 5.739618 
1 1 1  -12    1   20 o   64.590   0.9439  4053.52  118.342  4062.46  167.441  4044.61  167.282   64.661   1.3340   64.518   1.3357 0.1422882 1.887747 
1 1 1  -12    1   21 o  136.782   1.3543 18201.31  359.513 18102.65  502.778 18304.53  514.275  136.406   1.8988  137.159   1.9316 -0.7527466 2.708565 
1 1 1  -12    1   22 o   81.500   1.0599  6449.78  167.585  6724.00  242.000  6197.11  232.299   83.162   1.4991   79.838   1.4989 3.324677 2.119895 
1 1 1  -12    1   23 o   30.583   1.2871  911.758   76.224  835.487  107.472  988.959  108.124   29.291   1.8902   31.875   1.7474 -2.584572 2.574157 
1 1 1  -12    1   24 o   51.063   1.0187  2532.44  100.896  2659.43  145.975  2416.28  139.614   52.286   1.4382   49.839   1.4431 2.447865 2.037404 
1 1 1  -12    1   25 o   94.582   1.1748  8710.80  215.692  8666.81  303.851  8755.47  306.231   94.342   1.6592   94.823   1.6637 -0.4804840 2.349614 
1 1 1  -12    1   26 f   46.711   1.1200  2125.98  101.458  2010.09  142.711  2244.42  144.270   45.419   1.6186   48.002   1.5483 -2.582466 2.239908 
1 1 1  -12    1   27 o   42.382   1.2195  1750.74  100.131  1914.32  144.931  1601.36  138.500   44.278   1.6862   40.486   1.7623 3.792038 2.439047 
1 1 1  -12    1   28 o   16.206   2.8964  275.976   91.007  262.621  124.407  291.351  133.478   15.796   4.0408   16.615   4.1506 -0.8184652 5.792746 
1 1 1  -12    1   29 o   43.943   1.2784  1895.35  108.861  1909.17  158.945  1883.13  149.402   44.080   1.8576   43.806   1.7569 0.2734222 2.556829 
1 1 1  -12    1   30 o   23.873   1.9267  576.810   88.811  518.661  126.932  632.577  124.306   22.634   2.8890   25.111   2.5501 -2.477167 3.853479 
1 1 1  -12    1   31 o   15.730   2.9129  273.776   91.785  349.279  132.034  203.166  127.684   17.839   3.9198   13.620   4.3100 4.219219 5.825875 
1 1 1  -12    1   32 o   10.911   2.8964   74.418   94.696  214.484  134.971 -61.3690  132.894   13.715   4.4410   8.1082   3.7192 5.606394 5.792727 
1 1 1  -12    1   33 o   11.316   3.1783  106.412  106.686  185.986  157.481   38.913  145.040   12.834   4.7567   9.7974   4.2167 3.036629 6.356625 
1 1 1  -12    2    1 o  187.367   1.2239 34074.74  445.089 34744.07  634.607 33426.71  624.419  189.177   1.7281  185.556   1.7335 3.621231 2.447764 
1 1 1  -12    2    2 o  195.328   1.2383 37026.15  469.402 36445.89  654.889 37639.23  673.156  193.755   1.7412  196.901   1.7612 -3.145920 2.476599 
1 1 1  -12    2    3 o  372.889   1.7748 135068.30  1281.11 134462.30  1881.04 135592.50  1749.63  372.101   2.6042  373.676   2.4120 -1.575409 3.549611 
1 1 1  -12    2    4 o  355.143   1.6643 122473.10  1147.34 122186.50  1619.15 122762.00  1626.03  354.726   2.3514  355.560   2.3559 -0.8341064 3.328555 
1 1 1  -12    2    5 o  282.334   1.5037 77397.71  824.096 76950.13  1162.60 77849.71  1168.32  281.514   2.1275  283.155   2.1256 -1.640869 3.007348 
1 1 1  -12    2    6 o  230.514   1.3697 51593.48  612.873 51342.43  868.176 51842.88  865.299  229.955   1.9449  231.074   1.9291 -1.118683 2.739349 
1 1 1  -12    2    7 o  103.150   0.8650 10328.90  173.041 10338.52  239.544 10318.40  250.240  103.201   1.1957  103.099   1.2504 0.1011276 1.730090 
1 1 1  -12    2    8 o  209.473   1.3100 42602.29  532.690 42755.71  752.877 42448.48  753.799  209.851   1.8482  209.095   1.8571 0.7556610 2.620083 
1 1 1  -12    2    9 o   67.879   0.6283  4472.05   82.787  4440.38  116.304  4504.58  117.869   67.635   0.8858   68.122   0.8913 -0.4871445 1.256662 
1 1 1  -12    2   10 o  114.886   1.1521 12812.06  256.873 12950.48  367.903 12680.40  358.813  115.491   1.6410  114.281   1.6174 1.210060 2.304152 
1 1 1  -12    2   11 o   90.887   1.0248  8016.39  180.749  8161.70  259.546  7879.55  251.862   91.687   1.4583   90.088   1.4402 1.598366 2.049598 
1 1 1  -12    2   12 o  243.299   1.6449 57510.17  776.861 57750.63  1099.47 57270.43  1097.83  243.807   2.3231  242.791   2.3294 1.016418 3.289802 
1 1 1  -12    2   13 o  157.971   1.3887 24236.13  425.768 24571.73  608.963 23915.19  595.516  159.040   1.9725  156.902   1.9552 2.137878 2.777370 
1 1 1  -12    2   14 o  132.434   1.3084 17036.77  336.351 16805.53  474.828 17269.67  476.520  131.532   1.8597  133.337   1.8411 -1.805038 2.616853 
1 1 1  -12    2   15 o  100.591   1.1005  9823.90  214.846 10015.67  307.375  9640.71  300.420  101.551   1.5593   99.632   1.5533 1.918762 2.200945 
1 1 1  -12    2   16 o   73.094   0.9269  5187.01  131.441  5238.69  189.425  5139.02  182.538   73.444   1.3287   72.743   1.2927 0.7008057 1.853750 
1 1 1  -12    2   17 f   79.720   2.8231  6241.36  434.351  5836.17  636.082  6595.36  594.548   77.250   4.2418   82.191   3.7264 -4.941940 5.646189 
1 1 1  -12    2   18 o   33.212   5.1905  1231.63  325.637  1524.43  407.313  713.002  542.096   39.363   5.3305   27.060   8.9079 12.30352 10.38097 
1 1 1  -12    2   19 o   69.749   2.1435  4561.72  168.747  4974.20  563.668  4521.11  176.859   71.279   4.0738   68.218   1.3355 3.060814 4.287092 
1 1 1  -12    2   20 o   83.260   2.3137  6912.59  227.049  6596.10  698.421  6949.99  240.090   81.956   4.3901   84.565   1.4626 -2.609344 4.627311 
1 1 1  -12    2   21 o   67.668   1.0079  4450.19  132.379  4365.19  186.700  4536.12  187.727   67.017   1.4351   68.318   1.4156 -1.300781 2.015795 
1 1 1  -12    2   22 o   17.880   2.0606  315.866   69.650  360.210  101.439  276.314   95.801   19.211   2.7202   16.550   3.0959 2.661215 4.121149 
1 1 1  -12    2   23 o   15.216   2.3728  230.610   70.940  331.327  103.423  141.124   97.487   18.404   2.8949   12.028   3.7604 6.376736 4.745651 
1 1 1  -12    2   24 f   53.565   1.0075  2790.55  104.747  2827.47  149.201  2754.68  147.090   53.914   1.4256   53.215   1.4239 0.6983795 2.014927 
1 1 1  -12    2   25 o   36.704   1.2270  1305.88   87.211  1418.29  128.674  1210.35  118.610   38.158   1.7371   35.250   1.7334 2.907742 2.454031 
1 1 1  -12    2   26 o   56.971   1.0649  3161.00  117.754  3104.46  166.160  3218.06  166.902   56.458   1.5161   57.484   1.4957 -1.026375 2.129741 
1 1 1  -12    2   27 o   38.991   1.2649  1485.71   95.555  1610.10  136.473  1366.07  133.836   40.601   1.7316   37.382   1.8444 3.219006 2.529864 
1 1 1  -12    2   28 o   32.247   1.6200  1036.04   99.884  1222.54  140.024  842.822  142.524   35.284   2.0444   29.210   2.5136 6.074217 3.240002 
1 1 1  -12    2   29 o   11.353   2.9814  106.770   89.735   52.011  136.548  148.396  119.054   10.402   4.2554   12.303   4.1768 -1.900568 5.962704 
1 1 1  -12    2   30 o   43.041   1.2421  1821.14  103.371  2060.98  150.436  1606.59  142.281   45.742   1.6942   40.341   1.8169 5.400322 2.484274 
1 1 1  -12    2   31 o   12.384   3.0056  156.540   89.154  107.797  126.350  204.871  125.816   11.104   4.2291   13.664   4.2720 -2.560869 6.011268 
1 1 1  -12    2   32 o   12.989   3.1091  185.401   95.781  128.196  137.275  239.670  133.706   11.565   4.4074   14.414   4.3864 -2.849072 6.218164 
1 1 1  -12    2   33 o   15.820   3.0496  292.618  104.085  448.076  151.204  152.607  143.495   19.660   4.0949   11.979   4.5203 7.680977 6.099298 
1 1 1  -12    3    1 o  134.576   1.1269 17505.47  286.715 17252.89  364.795 17913.62  463.731  133.314   1.4096  135.837   1.7587 -2.522461 2.253881 
1 1 1  -12    3    2 o  389.616   1.7417 147410.00  1317.26 147498.80  1865.53 147321.70  1860.27  389.733   2.4659  389.499   2.4604 0.2337036 3.483392 
1 1 1  -12    3    3 o  360.803   1.6792 126346.30  1175.62 124244.90  1635.39 128593.40  1691.16  357.702   2.3552  363.905   2.3940 -6.203125 3.358366 
1 1 1  -12    3    4 o  133.460   1.0107 17290.65  261.845 17233.35  370.228 17348.00  370.380  133.238   1.4314  133.681   1.4273 -0.4425354 2.021436 
1 1 1  -12    3    5 o  166.317   1.1174 26853.02  360.755 26734.57  507.918 26973.61  512.482  165.947   1.5767  166.687   1.5838 -0.7400665 2.234868 
1 1 1  -12    3    6 o  429.920   1.9881 179171.30  1637.02 181709.30  2538.78 177365.20  2141.73  432.495   3.0240  427.345   2.5818 5.150574 3.976192 
1 1 1  -12    3    7 o  137.120   0.9868 18247.79  262.599 18475.18  375.800 18030.81  367.095  137.955   1.4033  136.286   1.3876 1.668869 1.973505 
1 1 1  -12    3    8 o  260.100   1.4590 65687.70  736.669 65481.54  1039.76 65895.49  1043.86  259.690   2.0626  260.509   2.0642 -0.8194580 2.918094 
1 1 1  -12    3    9 o  122.167   0.9131 14488.44  216.539 14492.31  306.941 14484.61  305.529  122.183   1.2941  122.150   1.2885 0.3239441E-01 1.826220 
1 1 1  -12    3   10 o   92.043   1.0136  8225.60  181.087  8122.46  256.567  8327.98  255.626   91.468   1.4450   92.618   1.4218 -1.150337 2.027217 
1 1 1  -12    3   11 o  133.931   1.2606 17416.19  327.721 17565.88  467.092 17271.06  459.926  134.498   1.7890  133.365   1.7766 1.133026 2.521287 
1 1 1  -12    3   12 o  135.780   1.2673 17904.62  334.022 17751.53  471.905 18058.33  472.853  135.198   1.7981  136.362   1.7864 -1.163834 2.534628 
1 1 1  -12    3   13 o   82.458   0.9581  6602.35  153.356  6544.20  216.992  6660.38  216.765   82.095   1.3616   82.821   1.3483 -0.7258835 1.916229 
1 1 1  -12    3   14 o  111.124   1.1973 11983.85  258.167 11601.02  359.342 12392.26  371.150  109.291   1.6938  112.956   1.6927 -3.665604 2.394591 
1 1 1  -12    3   15 o   66.917   0.8955  4347.02  116.304  4401.82  166.320  4294.59  162.697   67.329   1.2725   66.504   1.2603 0.8248749 1.790991 
1 1 1  -12    3   16 o   72.791   0.9085  5145.50  128.357  5159.43  183.309  5132.11  179.789   72.887   1.2956   72.695   1.2741 0.1924973 1.817087 
1 1 1  -12    3   17 o   55.972   3.1394  3078.26  339.523  3231.21  466.102  2905.37  495.568   57.486   4.1769   54.458   4.6878 3.027451 6.278724 
1 1 1  -12    3   18 f  122.614   2.4386 14679.21  580.259 14849.64  813.649 14502.81  827.753  123.348   3.3981  121.879   3.4987 1.469276 4.877299 
1 1 1  -12    3   19 o   84.731   2.0997  6667.68  216.617  7439.13  668.037  6577.03  228.990   87.188   3.9471   82.274   1.4338 4.914543 4.199444 
1 1 1  -12    3   20 o   85.786   2.5716  7678.20  250.967  6621.62  781.852  7799.57  264.990   81.993   4.9123   89.580   1.5239 -7.586807 5.143232 
1 1 1  -12    3   21 o   40.635   1.0481  1603.72   82.634  1646.43  119.109  1564.09  114.739   41.156   1.4909   40.114   1.4735 1.041645 2.096173 
1 1 1  -12    3   22 o   56.484   0.9711  3101.09  106.474  3114.37  150.663  3087.84  150.490   56.605   1.3711   56.363   1.3755 0.2418518 1.942142 
1 1 1  -12    3   23 o   50.368   0.9777  2468.93   95.495  2404.32  137.099  2529.82  133.091   49.724   1.4204   51.011   1.3441 -1.286320 1.955493 
1 1 1  -12    3   24 f   68.154   1.0556  4516.57  139.583  4601.28  201.399  4438.27  193.632   68.767   1.5087   67.541   1.4769 1.225548 2.111267 
1 1 1  -12    3   25 o   50.783   1.0924  2509.22  107.627  2539.35  155.134  2481.25  149.439   51.075   1.5647   50.491   1.5247 0.5839577 2.184723 
1 1 1  -12    3   26 o   76.575   1.1201  5707.28  166.180  5801.56  243.422  5624.99  227.422   77.159   1.6252   75.991   1.5417 1.168068 2.240139 
1 1 1  -12    3   27 o   20.863   2.0657  429.799   83.558  459.449  119.852  401.757  116.554   21.570   2.8625   20.156   2.9790 1.413996 4.131356 
1 1 1  -12    3   28 o   48.707   1.2079  2319.59  114.149  2254.79  158.528  2389.37  164.500   48.003   1.7013   49.411   1.7150 -1.408554 2.415730 
1 1 1  -12    3   29 o   25.456   1.8590  651.387   90.763  585.405  134.502  706.555  122.987   24.202   2.8629   26.710   2.3720 -2.507698 3.717901 
1 1 1  -12    3   30 o   16.074   2.8643  278.895   89.180  321.228  133.544  244.821  119.809   17.156   4.0711   14.991   4.0301 2.164870 5.728510 
1 1 1  -12    3   31 o   24.594   1.9691  615.553   93.195  723.364  134.611  516.304  129.155   26.738   2.5935   22.450   2.9637 4.288128 3.938222 
1 1 1  -12    3   32 o   17.032   3.0533  342.941  104.297  238.245  152.675  434.552  142.814   14.322   4.7280   19.743   3.8648 -5.420901 6.106591 
1 1 1  -12    3   33 o   18.961   2.8383  421.704  103.168  309.613  150.305  521.559  141.865   15.927   4.6025   21.994   3.3228 -6.066980 5.676582 
1 1 1  -12    4    1 o  297.504   1.5388 85938.40  888.666 86506.24  1259.74 85375.91  1253.81  298.482   2.1742  296.526   2.1782 1.956696 3.077623 
1 1 1  -12    4    2 o  224.297   1.6628 49056.18  679.006 49446.27  829.072 48261.48  1183.35  225.675   1.8925  222.919   2.7346 2.756638 3.325655 
1 1 1  -12    4    3 o  252.988   1.4169 62141.54  695.838 62195.84  983.092 62087.03  985.038  253.098   2.0010  252.877   2.0067 0.2217407 2.833839 
1 1 1  -12    4    4 o   79.152   0.6875  6079.49  105.615  5946.00  148.014  6217.96  150.747   78.267   0.9742   80.037   0.9703 -1.769890 1.374977 
1 1 1  -12    4    5 o  271.668   1.4828 71662.25  781.978 71629.68  1105.80 71694.82  1105.96  271.607   2.0974  271.730   2.0967 -0.1235046 2.965651 
1 1 1  -12    4    6 o  247.869   1.4313 59656.55  688.658 59812.44  970.849 59498.67  977.001  248.195   2.0151  247.542   2.0332 0.6527405 2.862596 
1 1 1  -12    4    7 o  105.449   0.8445 10788.58  172.814 10584.10  240.806 11005.72  248.150  104.419   1.1880  106.479   1.2006 -2.059319 1.689005 
1 1 1  -12    4    8 o  274.388   1.5070 73103.93  802.657 72623.32  1131.58 73590.63  1138.71  273.481   2.1315  275.296   2.1308 -1.815369 3.013951 
1 1 1  -12    4    9 o  304.083   1.5765 89798.82  930.591 89815.81  1318.91 89781.98  1313.21  304.111   2.2342  304.055   2.2249 0.5657959E-01 3.153080 
1 1 1  -12    4   10 o  189.061   1.4732 34710.01  540.626 34926.84  769.637 34498.81  759.583  189.643   2.0907  188.478   2.0761 1.164886 2.946366 
1 1 1  -12    4   11 o  125.565   1.2542 15309.04  305.650 15733.11  434.321 14892.95  430.216  127.289   1.7577  123.842   1.7896 3.446342 2.508443 
1 1 1  -12    4   12 o   75.187   0.9123  5489.34  133.094  5295.60  187.773  5684.95  188.678   73.853   1.3098   76.521   1.2702 -2.667534 1.824545 
1 1 1  -12    4   13 o   51.891   0.7980  2612.09   80.217  2646.49  117.621  2582.19  109.681   52.209   1.1606   51.572   1.0956 0.6372032 1.596013 
1 1 1  -12    4   14 o   90.543   1.0118  7962.35  177.770  7886.67  253.949  8035.07  248.935   90.120   1.4516   90.965   1.4098 -0.8451767 2.023532 
1 1 1  -12    4   15 o   97.526   1.0823  9236.33  204.870  9302.58  292.664  9172.67  286.881   97.869   1.5405   97.184   1.5207 0.6849747 2.164637 
1 1 1  -12    4   16 o  100.685   1.1114  9846.08  217.196  9629.38  304.884 10069.39  309.491   99.560   1.5776  101.810   1.5660 -2.249916 2.222851 
1 1 1  -12    4   17 o   77.216   2.7525  5873.24  409.052  5217.89  594.270  6463.31  563.899   73.049   4.1909   81.383   3.5694 -8.334694 5.504957 
1 1 1  -12    4   18 o  114.328   2.0169 13017.45  347.770 12290.73  795.466 13189.18  386.682  112.168   3.6533  116.489   1.7100 -4.320580 4.033728 
1 1 1  -12    4   19 o   40.304   3.7395  1825.15  110.172  1414.07  510.305  1845.24  112.833   37.026   7.3592   43.581   1.3337 -6.554916 7.479046 
1 1 1  -12    4   20 o   99.416   2.2680  9923.90  294.804  9288.67  800.973 10023.44  317.060   97.291   4.2411  101.542   1.6085 -4.251251 4.535918 
1 1 1  -12    4   21 o   28.950   1.2164  817.177   68.174  759.713   97.385  872.400   95.467   27.947   1.7951   29.953   1.6419 -2.006342 2.432743 
1 1 1  -12    4   22 o   18.030   2.0809  317.702   70.205  403.780  105.925  250.269   93.754   20.340   2.6827   15.719   3.1818 4.621696 4.161811 
1 1 1  -12    4   23 o   36.094   1.2288  1269.96   85.873  1237.53  125.076  1298.89  118.108   35.653   1.8072   36.535   1.6654 -0.8816757 2.457536 
1 1 1  -12    4   24 o   57.700   1.0304  3239.37  115.403  3198.38  163.612  3279.95  162.801   57.336   1.4700   58.065   1.4444 -0.7289658 2.060861 
1 1 1  -12    4   25 o   48.825   1.0788  2317.83  102.132  2477.05  146.829  2168.57  142.158   50.450   1.4993   47.200   1.5515 3.250359 2.157576 
1 1 1  -12    4   26 o   61.989   1.0824  3743.39  130.236  3706.06  184.851  3780.17  183.518   61.680   1.5439   62.297   1.5176 -0.6174698 2.164841 
1 1 1  -12    4   27 o   48.702   1.1753  2309.43  110.946  2434.57  162.387  2199.88  151.936   49.933   1.6753   47.470   1.6488 2.463356 2.350599 
1 1 1  -12    4   28 o   56.352   1.1334  3104.71  123.974  3101.61  174.723  3107.86  175.934   56.324   1.5980   56.379   1.6076 -0.5433655E-01 2.266721 
1 1 1  -12    4   29 o   75.685   1.1748  5617.39  172.542  5543.19  246.030  5689.21  242.043   75.182   1.6858   76.188   1.6366 -1.006447 2.349548 
1 1 1  -12    4   30 o   46.616   1.2363  2147.04  111.498  2089.42  163.216  2197.46  152.674   45.994   1.8281   47.238   1.6650 -1.243938 2.472674 
1 1 1  -12    4   31 o   28.290   1.7663  807.211   96.962  837.406  138.435  778.132  135.851   28.819   2.4746   27.760   2.5210 1.058289 3.532571 
1 1 1  -12    4   32 f   34.073   1.6794  1184.20  109.940  1383.14  156.485  990.304  154.493   37.033   2.1768   31.114   2.5579 5.919273 3.358793 
1 1 1  -12    4   33 o   13.357   3.2291  202.237  102.943  283.708  152.860  134.623  139.255   15.196   4.7019   11.518   4.4272 3.677844 6.458165 
1 1 1  -12    5    1 o  309.785   1.5711 93168.71  944.690 92089.25  1324.75 94285.64  1347.53  307.960   2.2160  311.610   2.2277 -3.650177 3.142216 
1 1 1  -12    5    2 o  234.508   1.3750 53389.62  625.885 52964.18  879.838 53825.46  890.528  233.562   1.9406  235.454   1.9484 -1.891098 2.749935 
1 1 1  -12    5    3 o  295.070   1.5336 84537.21  878.384 84265.28  1235.48 84815.16  1249.08  294.591   2.1605  295.549   2.1772 -0.9586487 3.067217 
1 1 1  -12    5    4 o  308.923   1.5653 92663.98  938.659 92234.09  1321.33 93101.97  1333.68  308.200   2.2086  309.646   2.2188 -1.445984 3.130652 
1 1 1  -12    5    5 f  244.302   1.3995 57949.66  663.674 57904.64  938.656 57994.66  938.496  244.208   1.9801  244.397   1.9782 -0.1898651 2.798928 
1 1 1  -12    5    6 o   50.487   0.6902  2488.22   62.953  2435.65  111.193  2513.01   76.371   50.091   1.1435   50.882   0.7732 -0.7910538 1.380415 
1 1 1  -12    5    7 o   41.901   0.6929  1736.55   52.453  1796.83   64.067  1613.98   91.353   43.025   0.7671   40.776   1.1541 2.249237 1.385789 
1 1 1  -12    5    8 o  143.807   1.0636 20076.67  296.918 19945.55  419.686 20208.07  420.125  143.337   1.5083  144.277   1.5001 -0.9403381 2.127293 
1 1 1  -12    5    9 o  217.856   1.3427 46084.58  567.792 46187.23  806.318 45983.61  799.682  218.097   1.9045  217.616   1.8930 0.4807129 2.685319 
1 1 1  -12    5   10 o  268.242   1.6930 69890.98  881.576 69617.88  1246.04 70164.70  1247.44  267.717   2.3977  268.767   2.3910 -1.049896 3.386095 
1 1 1  -12    5   11 o  111.170   1.1660 11997.85  251.591 12212.99  358.585 11789.26  353.086  112.151   1.6471  110.188   1.6507 1.962814 2.331941 
1 1 1  -12    5   12 o   70.109   0.8592  4772.25  116.880  4768.77  167.695  4775.53  162.992   70.084   1.2326   70.135   1.1972 -0.5025482E-01 1.718338 
1 1 1  -12    5   13 o  134.400   1.3005 17546.34  339.272 17706.85  480.033 17386.14  479.572  135.015   1.8316  133.786   1.8466 1.229187 2.600906 
1 1 1  -12    5   14 o  101.323   1.1299  9969.11  222.167 10018.20  318.503  9922.59  310.051  101.565   1.6155  101.080   1.5802 0.4844894 2.259802 
1 1 1  -12    5   15 o  141.498   1.3302 19444.51  365.281 19830.08  523.208 19077.87  510.207  142.866   1.8866  140.131   1.8756 2.735046 2.660313 
1 1 1  -12    5   16 o  173.563   1.5119 29288.83  509.370 29539.42  719.990 29037.73  720.727  174.308   2.1279  172.818   2.1484 1.489349 3.023814 
1 1 1  -12    5   17 o  141.788   2.0054 20025.11  485.754 20547.65  569.682 18633.21  929.778  145.374   2.0187  138.202   3.4658 7.171707 4.010853 
1 1 1  -12    5   18 o   88.153   2.0843  7968.12  249.467  7030.21  638.565  8137.04  271.003   84.796   3.8794   91.510   1.5256 -6.713837 4.168585 
1 1 1  -12    5   19 o  116.675   2.0697 13090.30  353.309 13558.73  859.784 12995.13  387.542  117.734   3.7620  115.616   1.7268 2.119026 4.139388 
1 1 1  -12    5   20 o   56.100   2.9463  3398.25  151.133  2746.03  586.236  3444.68  156.420   52.659   5.7350   59.540   1.3534 -6.881245 5.892527 
1 1 1  -12    5   21 o   56.204   2.8068  2829.24  134.941  3414.99  621.815  2800.29  138.236   58.726   5.4546   53.681   1.3266 5.044849 5.613595 
1 1 1  -12    5   22 o   73.493   1.0178  5250.25  145.201  5297.23  206.607  5204.40  204.108   73.817   1.4419   73.168   1.4371 0.6492844 2.035698 
1 1 1  -12    5   23 o   36.407   1.1736  1291.54   82.816  1247.22  119.057  1333.09  115.275   35.798   1.7133   37.016   1.6043 -1.218094 2.347143 
1 1 1  -12    5   24 o   70.508   3.7817  4979.05  517.541  5038.27  738.744  4921.97  725.268   70.912   5.3667   70.104   5.3295 0.8081284 7.563413 
1 1 1  -12    5   25 o   39.980   1.1847  1555.64   91.835  1662.60  131.627  1454.20  128.188   41.321   1.6410   38.639   1.7091 2.681725 2.369357 
1 1 1  -12    5   26 o   82.076   1.1618  6564.42  185.068  6640.12  264.812  6492.15  258.745   82.536   1.6528   81.615   1.6332 0.9206848 2.323607 
1 1 1  -12    5   27 o   26.924   1.6740  705.833   86.679  854.948  128.746  582.207  117.227   29.518   2.2469   24.330   2.4821 5.188236 3.348044 
1 1 1  -12    5   28 o   34.865   1.4221  1203.52   95.150  1115.37  142.549  1274.36  127.783   33.668   2.1811   36.061   1.8254 -2.393185 2.844199 
1 1 1  -12    5   29 o   18.280   2.5543  351.037   88.359  267.112  125.908  432.480  124.032   15.814   4.0758   20.746   3.0799 -4.931598 5.108588 
1 1 1  -12    5   30 o   39.173   1.3201  1506.62   99.943  1716.82  147.841  1329.71  135.630   41.687   1.8269   36.659   1.9059 5.028008 2.640128 
1 1 1  -12    5   31 o   16.613   2.9277  304.671   95.121  383.176  139.499  236.452  130.040   18.666   3.9720   14.561   4.3022 4.104494 5.855365 
1 1 1  -12    5   32 o   10.361   3.0288   68.352   99.149   70.340  138.013   66.231  142.532   10.350   4.2611   10.372   4.3057 -0.2275753E-01 6.057689 
1 1 1  -12    5   33 o   22.754   2.4934  559.119  106.516  689.156  163.203  462.625  140.586   25.257   3.3288   20.251   3.7130 5.005259 4.986731 
1 1 1  -12    6    1 o   36.269   0.7234  1273.65   50.863  1195.01   70.033  1361.45   73.994   35.087   1.0282   37.451   1.0178 -2.363892 1.446792 
1 1 1  -12    6    2 o  175.899   1.1790 30037.88  402.558 29949.55  568.788 30126.53  569.818  175.640   1.6683  176.158   1.6664 -0.5182495 2.357924 
1 1 1  -12    6    3 o  185.591   1.1976 33438.71  431.465 33647.83  612.002 33232.06  608.382  186.168   1.6935  185.014   1.6940 1.153778 2.395297 
1 1 1  -12    6    4 o  138.180   1.0311 18532.63  276.537 18292.39  388.030 18780.59  394.208  137.270   1.4562  139.089   1.4600 -1.819626 2.062108 
1 1 1  -12    6    5 o  171.189   1.1556 28448.12  383.997 28218.91  539.341 28683.74  546.844  170.489   1.6297  171.888   1.6389 -1.398209 2.311244 
1 1 1  -12    6    6 o  182.657   1.2070 32391.22  427.967 32378.95  604.345 32403.57  606.134  182.622   1.7048  182.691   1.7092 -0.6927490E-01 2.414022 
1 1 1  -12    6    7 o  460.441   2.1168 205997.50  1888.27 206856.30  2593.71 205029.09  2754.37  461.475   2.8954  459.408   3.0886 2.067230 4.233516 
1 1 1  -12    6    8 o  308.890   1.5832 92649.77  949.303 92101.55  1336.55 93207.87  1348.56  307.968   2.2357  309.812   2.2424 -1.843628 3.166486 
1 1 1  -12    6    9 o  241.356   1.4053 56567.66  658.412 56384.95  932.048 56749.66  930.226  240.967   1.9926  241.745   1.9823 -0.7787018 2.810661 
1 1 1  -12    6   10 o  184.273   1.4701 32962.79  525.730 33714.70  753.032 32247.80  734.310  186.322   2.0820  182.224   2.0759 4.098114 2.940101 
1 1 1  -12    6   11 o  177.831   1.4467 30713.44  499.398 30825.67  708.750 30602.78  703.787  178.153   2.0494  177.508   2.0425 0.6448517 2.893425 
1 1 1  -12    6   12 o   86.488   1.0119  7256.29  169.742  7423.31  246.203  7104.98  234.339   87.435   1.4506   85.541   1.4112 1.894287 2.023808 
1 1 1  -12    6   13 o   67.531   0.8650  4424.16  113.218  4494.24  165.229  4362.13  155.447   68.035   1.2511   67.028   1.1947 1.006271 1.729903 
1 1 1  -12    6   14 o  181.119   1.5034 31871.49  528.555 32074.81  751.239 31672.18  743.797  181.690   2.1300  180.547   2.1223 1.143265 3.006814 
1 1 1  -12    6   15 o  104.303   1.1563 10565.07  234.100 10363.64  328.556 10772.78  333.638  103.293   1.6386  105.312   1.6320 -2.019470 2.312696 
1 1 1  -12    6   16 o   76.254   0.9397  5645.14  138.974  5700.42  201.309  5594.81  192.092   76.610   1.3537   75.899   1.3038 0.7110443 1.879446 
1 1 1  -12    6   17 o   72.708   2.0936  5407.66  180.051  5478.95  190.854  4830.94  542.858   75.105   1.3091   70.311   3.9774 4.793968 4.187259 
1 1 1  -12    6   18 o   76.922   2.1146  5561.91  187.395  6029.41  611.004  5513.37  196.884   78.508   4.0093   75.335   1.3463 3.172882 4.229273 
1 1 1  -12    6   19 o  104.645   2.1327 10552.88  299.128 10864.94  808.874 10503.44  321.952  105.337   3.9558  103.953   1.5955 1.384697 4.265421 
1 1 1  -12    6   20 o   64.772   2.4162  3737.40  150.444  4541.73  613.991  3686.02  155.174   67.951   4.6548   61.593   1.2978 6.357628 4.832332 
1 1 1  -12    6   21 o   19.321   4.1718  403.876   95.476 -208.6763  570.572  421.522   96.842   17.844   7.9915   20.799   2.3986 -2.954641 8.343664 
1 1 1  -12    6   22 o  103.225   1.2004 10368.04  240.467 10152.62  341.370 10580.21  338.788  102.157   1.7214  104.293   1.6734 -2.135674 2.400775 
1 1 1  -12    6   23 o   98.944   1.1666  9525.31  224.048  9588.58  319.498  9464.09  314.270   99.266   1.6581   98.622   1.6416 0.6440353 2.333227 
1 1 1  -12    6   24 o   42.247   1.1032  1721.85   90.064  1913.40  135.273  1569.34  120.707   44.338   1.5717   40.156   1.5485 4.182198 2.206374 
1 1 1  -12    6   25 f   59.364   1.0341  3418.02  118.809  3570.62  176.303  3291.06  160.807   60.570   1.4995   58.158   1.4244 2.411594 2.068174 
1 1 1  -12    6   26 o   33.692   1.3970  1108.67   91.359  1086.53  128.848  1131.06  129.559   33.352   1.9901   34.032   1.9612 -0.6796303 2.794065 
1 1 1  -12    6   27 o   81.489   1.1749  6486.40  185.787  6352.08  264.172  6617.85  261.336   80.646   1.6875   82.332   1.6352 -1.685478 2.349759 
1 1 1  -12    6   28 o   14.118   2.8742  208.912   84.039  168.736  122.843  244.257  115.220   12.993   4.2387   15.243   3.8831 -2.249242 5.748481 
1 1 1  -12    6   29 o   35.949   1.4437  1269.37  100.544  1379.61  147.189  1172.93  137.670   37.411   2.0268   34.488   2.0564 2.923683 2.887337 
1 1 1  -12    6   30 o   19.669   2.4163  406.496   89.574  382.023  131.701  427.562  122.188   18.869   3.7278   20.469   3.0751 -1.600340 4.832515 
1 1 1  -12    6   31 o   23.687   2.0374  565.561   92.157  724.041  138.630  440.067  123.362   26.703   2.6745   20.671   3.0743 6.031155 4.074816 
1 1 1  -12    6   32 o   8.2590   2.6905 -70.8597   99.904 -91.9004  139.218 -48.5209  143.448   7.9253   3.6948   8.5926   3.9119 -0.6672630 5.380947 
1 1 1  -12    6   33 o   18.885   2.8289  430.408  102.138  285.557  154.126  543.833  136.385   15.200   4.7243   22.570   3.1130 -7.369913 5.657728 
1 1 1  -12    7    1 o  282.005   1.5080 77204.98  825.429 76180.74  1156.74 78267.62  1178.22  280.100   2.1274  283.910   2.1379 -3.809998 3.016040 
1 1 1  -12    7    2 o   91.058   0.7622  8033.15  134.576  7722.89  185.103  8381.04  196.001   89.197   1.0691   92.920   1.0866 -3.722855 1.524356 
1 1 1  -12    7    3 o  279.917   1.4998 76068.37  814.860 75168.48  1142.96 76998.58  1162.05  278.234   2.1162  281.600   2.1258 -3.366119 2.999569 
1 1 1  -12    7    4 o  141.806   1.0184 19519.54  280.311 19756.36  398.545 19287.70  394.328  142.657   1.4392  140.955   1.4412 1.702255 2.036720 
1 1 1  -12    7    5 o  184.897   1.1969 33189.73  429.568 33343.05  609.407 33038.32  605.613  185.321   1.6940  184.473   1.6912 0.8487091 2.393718 
1 1 1  -12    7    6 f  119.151   0.9106 13781.61  210.609 13776.95  297.413 13786.31  298.282  119.131   1.2861  119.172   1.2894 -0.4041290E-01 1.821149 
1 1 1  -12    7    7 o  246.716   1.4351 59102.36  687.266 58811.80  972.796 59391.91  971.089  246.111   2.0362  247.322   2.0227 -1.211441 2.870109 
1 1 1  -12    7    8 o  214.913   1.3355 44835.20  557.078 44136.85  780.237 45561.39  795.642  213.206   1.8852  216.619   1.8921 -3.413040 2.671007 
1 1 1  -12    7    9 o  238.670   1.4052 55313.57  651.029 54899.14  917.146 55734.49  924.285  237.769   1.9871  239.571   1.9875 -1.802109 2.810456 
1 1 1  -12    7   10 o  264.563   1.6882 67988.00  866.983 68160.06  1228.80 67817.44  1223.42  264.896   2.3897  264.230   2.3852 0.6662292 3.376365 
1 1 1  -12    7   11 o  159.025   1.3909 24557.86  429.338 24785.26  612.325 24337.96  602.155  159.749   1.9746  158.302   1.9596 1.447296 2.781886 
1 1 1  -12    7   12 o  176.710   1.4692 30337.48  503.920 30845.00  713.153 29831.39  712.149  178.188   2.0618  175.233   2.0936 2.954681 2.938361 
1 1 1  -12    7   13 o  123.224   1.2145 14748.10  290.494 14765.60  409.662 14730.41  411.990  123.298   1.7116  123.150   1.7234 0.1475754 2.428932 
1 1 1  -12    7   14 o  115.111   1.1930 12851.05  266.391 13402.58  385.595 12347.46  368.456  117.470   1.6910  112.752   1.6834 4.718353 2.386075 
1 1 1  -12    7   15 o  185.771   1.5600 33541.67  562.493 33355.73  789.374 33733.46  801.739  185.249   2.1951  186.292   2.2170 -1.043274 3.119918 
1 1 1  -12    7   16 o  146.191   1.3762 20775.43  390.505 20581.02  553.583 20967.98  550.941  145.509   1.9599  146.873   1.9324 -1.364609 2.752322 
1 1 1  -12    7   17 o  171.320   1.4155 28620.36  468.792 27460.65  686.554 29633.36  641.665  168.043   2.1047  174.596   1.8933 -6.553345 2.830928 
1 1 1  -12    7   18 o  139.929   1.8377 18624.32  413.480 19864.35  895.137 18287.97  466.197  142.695   3.2316  137.163   1.7509 5.531662 3.675434 
1 1 1  -12    7   19 o   63.217   2.7100  4073.89  159.298  3728.65  627.877  4097.65  164.686   61.490   5.2603   64.943   1.3063 -3.453575 5.420035 
1 1 1  -12    7   20 o   67.593   2.5313  4525.97  171.613  4403.80  633.525  4535.65  178.278   66.864   4.8810   68.321   1.3442 -1.457527 5.062696 
1 1 1  -12    7   21 o   67.461   2.6857  4231.78  165.526  4730.10  698.534  4202.14  170.379   69.164   5.2029   65.758   1.3348 3.405693 5.371356 
1 1 1  -12    7   22 o   31.051   1.2525  955.942   73.573  846.469  113.846  1034.45   96.409   29.485   1.9890   32.617   1.5227 -3.131115 2.504983 
1 1 1  -12    7   23 o   58.992   1.0185  3386.46  116.252  3354.36  170.979  3414.06  158.535   58.727   1.4998   59.256   1.3782 -0.5298653 2.036915 
1 1 1  -12    7   24 o   55.078   1.0190  2947.81  108.490  2988.55  161.522  2914.32  146.440   55.419   1.5014   54.737   1.3782 0.6815720 2.038071 
1 1 1  -12    7   25 o   32.746   1.3557  1058.18   85.125  926.359  125.089  1171.89  116.175   30.810   2.0915   34.683   1.7256 -3.873375 2.711462 
1 1 1  -12    7   26 o   41.806   1.1713  1696.70   94.683  1783.59  141.533  1626.32  127.385   42.765   1.7049   40.847   1.6065 1.917984 2.342585 
1 1 1  -12    7   27 o   12.592   2.9944  149.462   87.713  110.702  123.548  188.853  124.547   11.516   4.2227   13.669   4.2466 -2.152201 5.988761 
1 1 1  -12    7   28 o   42.674   1.2116  1782.72  100.305  1867.35  142.912  1700.56  140.818   43.677   1.6856   41.670   1.7409 2.007858 2.423195 
1 1 1  -12    7   29 f   26.874   1.7697  719.282   92.055  658.260  130.190  780.297  130.182   25.704   2.6092   28.044   2.3914 -2.339376 3.539311 
1 1 1  -12    7   30 o   51.388   1.1634  2604.48  115.659  2563.88  169.996  2639.47  157.816   50.981   1.7178   51.796   1.5696 -0.8149796 2.326885 
1 1 1  -12    7   31 o   25.485   1.9051  662.120   93.969  622.547  135.078  699.232  130.809   24.691   2.8183   26.280   2.5642 -1.588879 3.810217 
1 1 1  -12    7   32 f   23.333   2.4343  580.551  105.590  740.903  157.016  448.165  142.668   26.605   3.0403   20.062   3.8026 6.542763 4.868582 
1 1 1  -12    7   33 o   11.093   2.9854  105.265   99.458 -30.0537  150.730  209.613  132.362   8.8904   4.0330   13.295   4.4029 -4.404748 5.970803 
1 1 1  -12    8    1 o   18.440   0.8012  328.086   28.541  311.250   38.171  349.432   42.981   17.907   1.0981   18.973   1.1670 -1.066422 1.602441 
1 1 1  -12    8    2 o   88.111   0.8481  7540.30  138.909  7550.37  173.141  7522.12  232.705   88.195   1.0113   88.027   1.3618 0.1686020 1.696284 
1 1 1  -12    8    3 o   71.782   0.6411  5001.59   89.329  5018.61  125.815  4984.29  126.850   71.905   0.9014   71.658   0.9119 0.2463303 1.282227 
1 1 1  -12    8    4 o   84.803   0.8715  7031.81  137.749  7168.26  173.098  6796.18  227.467   85.934   1.0377   83.671   1.4005 2.263550 1.743022 
1 1 1  -12    8    5 o   64.218   0.6108  4000.54   76.120  3912.27  105.939  4094.76  109.447   63.486   0.8596   64.950   0.8681 -1.463757 1.221687 
1 1 1  -12    8    6 o  193.913   1.2508 36507.11  470.831 36525.95  665.412 36488.22  666.300  193.964   1.7673  193.863   1.7706 0.1002960 2.501627 
1 1 1  -12    8    7 f  136.283   1.0078 18027.59  266.594 17721.46  374.651 18341.59  379.436  135.111   1.4285  137.454   1.4220 -2.343765 2.015630 
1 1 1  -12    8    8 o  182.360   1.2135 32286.14  429.551 32022.52  604.785 32554.50  610.204  181.609   1.7155  183.111   1.7167 -1.502258 2.426961 
1 1 1  -12    8    9 f  144.051   1.0713 20143.80  299.542 19876.27  420.772 20418.69  426.519  143.082   1.5149  145.021   1.5151 -1.939209 2.142568 
1 1 1  -12    8   10 o  238.427   1.6304 55212.04  754.569 54631.52  1060.97 55806.23  1073.39  237.159   2.3046  239.695   2.3069 -2.536011 3.260842 
1 1 1  -12    8   11 o  191.773   1.4946 35722.45  556.367 36021.61  788.427 35425.72  785.226  192.573   2.1091  190.973   2.1182 1.600082 2.989141 
1 1 1  -12    8   12 o  105.174   1.1430 10742.29  233.342 10730.16  328.851 10754.60  331.152  105.114   1.6117  105.233   1.6211 -0.1193085 2.285912 
1 1 1  -12    8   13 o   69.911   0.9061  4737.24  122.562  4845.28  181.706  4647.06  166.012   70.640   1.3251   69.182   1.2362 1.458138 1.812205 
1 1 1  -12    8   14 o  107.448   1.1594 11210.12  241.789 11388.55  345.315 11038.49  338.665  108.286   1.6428  106.609   1.6365 1.676971 2.318782 
1 1 1  -12    8   15 o  189.328   1.5607 34837.75  573.430 34597.50  800.352 35091.15  821.987  188.660   2.1854  189.995   2.2287 -1.335480 3.121426 
1 1 1  -12    8   16 o   30.961   0.9034  895.149   52.376  1065.71   89.203  805.411   64.703   33.123   1.3873   28.799   1.1574 4.324596 1.806733 
1 1 1  -12    8   17 o  126.902   1.2414 15623.19  304.648 15968.82  453.073 15337.96  411.584  128.174   1.8210  125.630   1.6877 2.544350 2.482806 
1 1 1  -12    8   18 f   72.801   2.6266  5859.17  200.595  4407.11  658.897  6007.50  210.591   66.965   5.0688   78.637   1.3796 -11.67226 5.253196 
1 1 1  -12    8   19 o   42.378   3.2894  1936.09  104.903  1585.65  500.862  1952.17  107.282   39.928   6.4622   44.828   1.2329 -4.899914 6.578732 
1 1 1  -12    8   20 o   20.523   3.9432  523.367   85.870 -96.0408  498.123  542.338   87.175   17.434   7.6537   23.612   1.9020 -6.177473 7.886497 
1 1 1  -12    8   21 o   27.576   4.9363  914.869   94.823  351.911  699.359  925.411   95.707   24.302   9.7424   30.850   1.5982 -6.548864 9.872646 
1 1 1  -12    8   22 o   66.753   3.5241  4448.70  450.067  3590.03  635.257  5314.06  637.731   60.103   5.4449   73.403   4.4757 -13.29980 7.048291 
1 1 1  -12    8   23 o   95.109   1.1822  8804.76  218.195  8675.72  311.066  8929.76  306.141   94.419   1.6972   95.799   1.6463 -1.379868 2.364437 
1 1 1  -12    8   24 o   62.874   1.0267  3844.49  125.069  3870.29  182.924  3821.84  171.387   63.068   1.4942   62.681   1.4086 0.3872490 2.053438 
1 1 1  -12    8   25 o   41.238   1.1856  1645.21   94.315  1752.78  143.188  1562.79  125.347   42.415   1.7391   40.061   1.6119 2.353878 2.371205 
1 1 1  -12    8   26 o   48.233   1.1301  2272.10  105.609  2169.67  151.786  2368.21  147.036   47.170   1.6577   49.297   1.5365 -2.127159 2.260270 
1 1 1  -12    8   27 o   12.041   2.9981  124.553   87.650  175.962  132.520   84.575  116.864   13.385   4.4042   10.698   4.0690 2.687347 5.996158 
1 1 1  -12    8   28 o   29.891   1.5755  882.844   91.085  802.414  129.435  961.748  128.202   28.516   2.3383   31.267   2.1123 -2.750261 3.151047 
1 1 1  -12    8   29 o   14.071   2.9328  207.384   86.178  251.528  126.102  168.700  118.046   15.313   4.1421   12.829   4.1532 2.484380 5.865636 
1 1 1  -12    8   30 o   16.234   2.7863  287.006   86.299  296.362  131.637  279.954  114.284   16.395   4.1364   16.073   3.7341 0.3213139 5.572576 
1 1 1  -12    8   31 o   18.705   2.6618  397.804   95.298  206.382  137.101  576.746  132.557   13.684   4.4786   23.727   2.8780 -10.04360 5.323587 
1 1 1  -12    8   32 o   12.911   3.2078  182.568   99.440  216.158  148.751  155.427  133.709   13.705   4.6687   12.116   4.4005 1.589107 6.415647 
1 1 1  -12    8   33 o   12.222   3.1546  158.619   98.813  232.494  148.766  100.294  132.185   13.824   4.6691   10.620   4.2433 3.204081 6.309225 
1 1 1  -12    9    1 o  121.295   0.9034 14283.61  212.127 14302.66  289.610 14261.56  311.579  121.383   1.2291  121.207   1.3243 0.1759186 1.806755 
1 1 1  -12    9    2 o  229.577   1.3600 51172.72  606.062 50979.56  854.792 51368.00  859.429  229.141   1.9217  230.012   1.9248 -0.8711700 2.719932 
1 1 1  -12    9    3 o   39.508   0.5880  1482.99   42.560  1422.24   51.693  1610.83   74.987   38.279   0.6957   40.737   0.9483 -2.458050 1.176083 
1 1 1  -12    9    4 o  107.229   1.0019 11166.02  200.640 11176.79  251.566 11147.19  332.607  107.303   1.2077  107.155   1.5990 0.1478119 2.003876 
1 1 1  -12    9    5 o  205.489   1.2930 40990.43  515.745 41624.02  734.471 40374.11  724.381  207.055   1.8274  203.923   1.8299 3.132584 2.586095 
1 1 1  -12    9    6 o   66.165   0.7501  4280.29   90.764  4343.09  111.497  4156.92  156.272   66.891   0.8587   65.439   1.2302 1.451729 1.500249 
1 1 1  -12    9    7 o  119.769   0.9193 13925.11  213.736 13928.63  301.709 13921.56  302.830  119.784   1.2975  119.754   1.3027 0.3048706E-01 1.838658 
1 1 1  -12    9    8 o   91.211   0.7751  8067.38  137.160  7836.20  189.964  8319.16  198.248   89.847   1.0892   92.574   1.1032 -2.727173 1.550282 
1 1 1  -12    9    9 o  139.514   1.1724 18776.05  307.275 19378.62  506.178 18424.43  386.672  141.268   1.8458  137.759   1.4460 3.509811 2.344766 
1 1 1  -12    9   10 o   85.941   1.0019  7168.00  167.114  7034.96  233.458  7307.80  239.321   85.123   1.4128   86.758   1.4210 -1.634827 2.003868 
1 1 1  -12    9   11 o  235.656   1.6324 53954.37  746.710 53659.39  1056.55 54248.75  1055.47  235.012   2.3160  236.300   2.3010 -1.288605 3.264710 
1 1 1  -12    9   12 o  163.437   1.4312 25944.43  453.934 25721.26  633.081 26180.57  651.223  162.715   2.0043  164.159   2.0436 -1.443405 2.862454 
1 1 1  -12    9   13 o  218.235   1.5942 46281.16  675.344 46007.41  953.523 46556.71  956.648  217.587   2.2575  218.883   2.2515 -1.295792 3.188382 
1 1 1  -12    9   14 o  206.541   1.5936 41457.30  638.921 41401.41  900.607 41513.92  906.563  206.402   2.2478  206.681   2.2596 -0.2788849 3.187225 
1 1 1  -12    9   15 o  179.598   1.5071 31348.47  525.380 30755.09  738.138 31957.74  747.957  177.875   2.1378  181.321   2.1250 -3.446075 3.014253 
1 1 1  -12    9   16 o   78.555   0.8434  6007.45  120.999  5950.01  209.923  6036.03  148.071   78.266   1.3817   78.845   0.9675 -0.5794678 1.686757 
1 1 1  -12    9   17 o   69.623   0.9216  4705.66  124.467  4776.47  180.003  4640.78  172.295   70.124   1.3224   69.122   1.2841 1.001663 1.843235 
1 1 1  -12    9   18 o   40.735   4.2531  2097.90  109.992  1249.79  560.110  2131.92  112.176   34.620   8.4163   46.850   1.2335 -12.22911 8.506168 
1 1 1  -12    9   19 o   81.413   2.2781  6506.39  214.887  6431.68  680.011  6514.68  226.493   80.949   4.3275   81.877   1.4250 -0.9287262 4.556137 
1 1 1  -12    9   20 o   92.258   2.2144  8207.20  251.754  8450.50  750.592  8176.35  267.234   92.798   4.1668   91.717   1.5010 1.080551 4.428886 
1 1 1  -12    9   21 o   68.694   3.0728  4918.19  188.075  4333.40  766.474  4955.65  194.007   65.983   5.9842   71.405   1.3997 -5.422691 6.145668 
1 1 1  -12    9   22 o   41.083   3.8859  1698.38  105.478  1705.64  578.167  1698.13  107.278   40.368   7.6585   41.798   1.3222 -1.430279 7.771769 
1 1 1  -12    9   23 o   37.127   1.1879  1333.80   84.461  1386.27  131.732  1297.18  110.061   37.736   1.7983   36.517   1.5526 1.218788 2.375842 
1 1 1  -12    9   24 o   21.117   1.9319  454.394   75.410  365.204  119.325  513.704   97.305   19.289   3.1869   22.945   2.1847 -3.656210 3.863802 
1 1 1  -12    9   25 o   42.416   1.1738  1759.76   96.046  1676.50  142.012  1829.95  130.389   41.478   1.7638   43.354   1.5493 -1.876362 2.347622 
1 1 1  -12    9   26 o   38.951   1.2823  1488.72   96.413  1329.68  137.933  1640.65  134.816   36.892   1.9261   41.010   1.6935 -4.117920 2.564699 
1 1 1  -12    9   27 o   24.299   1.8714  580.432   88.064  638.780  128.432  528.655  120.985   25.454   2.5993   23.143   2.6931 2.311060 3.742833 
1 1 1  -12    9   28 f   29.715   1.6145  873.560   92.744  788.033  131.706  957.685  130.620   28.242   2.4024   31.187   2.1576 -2.945101 3.229003 
1 1 1  -12    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12    9   30 o   44.408   1.2248  1946.39  105.452  1969.04  153.407  1926.10  145.195   44.636   1.7705   44.180   1.6930 0.4554710 2.449683 
1 1 1  -12    9   31 o   22.256   2.3593  524.632   97.105  662.463  140.250  397.719  134.581   25.432   2.8409   19.079   3.7675 6.352575 4.718534 
1 1 1  -12    9   32 o   18.029   2.7610  348.974   98.497  568.291  152.191  190.902  129.205   23.063   3.3995   12.995   4.3515 10.06821 5.521959 
1 1 1  -12    9   33 o   16.770   3.0467  351.590  102.596  252.581  157.702  424.246  135.094   14.257   4.8073   19.282   3.7442 -5.024960 6.093377 
1 1 1  -12   10    1 o  146.823   1.0103 20929.90  286.967 20963.35  390.351 20890.56  423.317  146.952   1.3684  146.694   1.4866 0.2576447 2.020509 
1 1 1  -12   10    2 o  135.221   0.9751 17731.28  255.097 17527.59  345.923 17974.11  377.689  134.372   1.3262  136.070   1.4299 -1.698975 1.950230 
1 1 1  -12   10    3 f  112.114   0.8877 12199.85  193.181 12338.06  275.432 12066.03  271.021  112.739   1.2586  111.489   1.2523 1.249649 1.775449 
1 1 1  -12   10    4 o  315.689   1.5915 96770.14  975.235 96414.65  1371.36 97133.88  1387.16  315.103   2.2420  316.275   2.2594 -1.171967 3.183000 
1 1 1  -12   10    5 o   82.393   0.7009  6589.49  112.101  6665.89  158.785  6513.56  158.286   82.869   0.9871   81.917   0.9954 0.9524307 1.401853 
1 1 1  -12   10    6 o  140.005   1.0331 19028.51  280.744 19295.22  398.074 18764.57  395.999  140.982   1.4546  139.029   1.4673 1.952362 2.066107 
1 1 1  -12   10    7 o  217.946   1.3277 46121.39  561.714 45962.04  793.322 46281.59  795.451  217.568   1.8784  218.324   1.8769 -0.7550964 2.655420 
1 1 1  -12   10    8 o  188.126   1.2344 34361.79  450.770 34074.62  634.445 34654.54  640.571  187.333   1.7447  188.920   1.7467 -1.587280 2.468795 
1 1 1  -12   10    9 o  127.363   1.1253 15808.83  270.173 15499.30  435.643 16002.28  344.403  126.341   1.7763  128.386   1.3819 -2.044579 2.250562 
1 1 1  -12   10   10 o  139.523   1.2949 18903.62  350.691 18752.00  494.393 19057.18  497.526  138.960   1.8328  140.087   1.8296 -1.126328 2.589709 
1 1 1  -12   10   11 o   33.633   0.8427  1117.05   51.658  1042.30   88.558  1155.60   63.600   32.764   1.3924   34.502   0.9496 -1.738506 1.685401 
1 1 1  -12   10   12 o   57.687   0.8262  3233.10   91.665  3215.06  139.250  3246.89  121.769   57.544   1.2466   57.830   1.0847 -0.2867584 1.652473 
1 1 1  -12   10   13 o   35.044   0.8350  1172.40   54.173  1257.67   93.102  1128.76   66.611   35.989   1.3327   34.098   1.0064 1.891335 1.669941 
1 1 1  -12   10   14 o  284.354   1.7967 78593.59  991.607 77534.27  1387.68 79698.89  1417.48  282.398   2.5314  286.309   2.5504 -3.911194 3.593446 
1 1 1  -12   10   15 o   83.610   1.0032  6791.15  162.784  6667.19  231.028  6913.38  229.404   82.851   1.4365   84.368   1.4007 -1.517281 2.006376 
1 1 1  -12   10   16 o   57.070   0.7218  3210.39   75.581  3012.80  128.053  3316.02   93.629   55.698   1.1844   58.442   0.8253 -2.744415 1.443554 
1 1 1  -12   10   17 o   39.089   0.8402  1480.21   63.654  1417.35   87.130  1552.16   93.219   38.202   1.1749   39.976   1.2013 -1.774815 1.680330 
1 1 1  -12   10   18 o  121.896   1.9435 14476.86  361.334 14474.28  826.576 14477.47  401.755  121.748   3.4975  122.044   1.6958 -0.2963181 3.886921 
1 1 1  -12   10   19 o   20.475   4.0198  289.951   78.354  572.772  403.013  278.840   79.878   24.030   7.6629   16.919   2.4321 7.110466 8.039562 
1 1 1  -12   10   20 o   71.163   2.5461  5233.96  184.225  4634.92  653.900  5285.61  192.003   68.573   4.9124   73.753   1.3411 -5.179504 5.092145 
1 1 1  -12   10   21 o   44.537   3.8984  2097.06  112.605  1880.19  611.797  2104.67  114.562   42.534   7.6930   46.539   1.2681 -4.005745 7.796846 
1 1 1  -12   10   22 o   89.875   2.4074  7166.58  234.201  8871.95  842.938  7023.93  243.800   94.760   4.5825   84.990   1.4778 9.770500 4.814889 
1 1 1  -12   10   23 o   37.227   1.1802  1356.59   84.184  1295.03  128.207  1403.24  111.619   36.472   1.8109   37.982   1.5139 -1.510803 2.360329 
1 1 1  -12   10   24 o   44.215   1.1144  1881.12   94.487  2036.80  147.669  1773.20  122.951   45.739   1.6632   42.690   1.4837 3.048847 2.228769 
1 1 1  -12   10   25 o   56.942   1.0572  3158.09  116.240  3138.69  173.281  3173.97  156.738   56.775   1.5723   57.110   1.4138 -0.3358917 2.114466 
1 1 1  -12   10   26 o   72.809   1.1334  5175.08  159.997  5017.52  229.614  5323.78  223.069   71.720   1.6493   73.897   1.5551 -2.176865 2.266779 
1 1 1  -12   10   27 o   30.579   1.5937  917.212   94.481  945.823  137.842  891.859  129.757   31.022   2.2890   30.136   2.2181 0.8866062 3.187370 
1 1 1  -12   10   28 o   20.224   2.1495  406.479   84.121  434.835  125.165  383.119  113.605   20.854   3.0919   19.594   2.9869 1.260168 4.299002 
1 1 1  -12   10   29 o   19.398   2.3024  370.829   83.105  496.307  133.340  291.129  106.269   22.158   3.1001   16.638   3.4051 5.520067 4.604897 
1 1 1  -12   10   30 o   17.014   2.6623  328.714   91.209  155.711  134.395  476.434  124.186   12.432   4.4245   21.596   2.9623 -9.163826 5.324614 
1 1 1  -12   10   31 o   28.444   1.7846  820.690   98.360  814.166  142.992  826.550  135.515   28.298   2.6031   28.590   2.4418 -0.2924767 3.569111 
1 1 1  -12   10   32 o   25.630   2.1238  680.105  103.523  731.158  165.805  647.487  132.529   26.243   3.2548   25.016   2.7291 1.226511 4.247537 
1 1 1  -12   10   33 f   22.757   2.4195  563.427  105.818  600.005  163.111  536.844  139.052   23.237   3.6161   22.277   3.2155 0.9601593 4.838957 
1 1 1  -12   11    1 o   66.492   0.6087  4282.87   78.409  4165.54  106.957  4419.17  115.284   65.509   0.8411   67.474   0.8802 -1.964653 1.217424 
1 1 1  -12   11    2 o  313.629   1.4837 95378.94  891.655 94705.75  1168.75 96316.39  1379.21  312.317   1.9278  314.941   2.2560 -2.624512 2.967456 
1 1 1  -12   11    3 o  168.251   1.1495 27482.43  375.421 27367.47  530.135 27598.06  531.720  167.898   1.6266  168.604   1.6246 -0.7059021 2.298938 
1 1 1  -12   11    4 o  294.784   1.5494 84369.70  886.520 83638.90  1244.38 85122.91  1263.29  293.488   2.1842  296.079   2.1980 -2.591400 3.098726 
1 1 1  -12   11    5 o  149.269   1.0761 21628.29  311.798 21836.93  444.217 21425.68  437.753  149.979   1.5258  148.560   1.5180 1.418777 2.152280 
1 1 1  -12   11    6 o   82.590   0.8666  6648.24  132.620  6712.18  165.017  6531.62  222.863   83.155   1.0223   82.025   1.3997 1.130066 1.733248 
1 1 1  -12   11    7 o  185.832   1.2239 33526.27  441.471 33285.88  619.073 33775.01  629.732  185.154   1.7224  186.509   1.7394 -1.354797 2.447890 
1 1 1  -12   11    8 o   67.327   0.7253  4418.17   91.849  4474.13  116.683  4327.00  148.928   67.891   0.8854   66.763   1.1491 1.128014 1.450661 
1 1 1  -12   11    9 o  203.660   1.4102 40302.41  550.062 40143.85  849.340 40416.96  721.912  203.305   2.1521  204.015   1.8229 -0.7094574 2.820379 
1 1 1  -12   11   10 o  214.774   1.5723 44806.11  655.502 44540.20  921.388 45078.63  932.755  214.130   2.2167  215.419   2.2306 -1.289261 3.144697 
1 1 1  -12   11   11 o  100.137   1.0752  9719.11  208.715 10072.02  304.958  9408.16  286.264  101.843   1.5426   98.431   1.4982 3.412102 2.150379 
1 1 1  -12   11   12 o  111.618   1.1828 12099.99  256.262 12122.47  364.099 12077.92  360.743  111.720   1.6789  111.515   1.6665 0.2049026 2.365543 
1 1 1  -12   11   13 o   22.982   1.0465  493.149   42.325  559.646   81.046  468.213   49.630   24.004   1.7393   21.960   1.1642 2.043911 2.093017 
1 1 1  -12   11   14 o  102.635   1.1140 10230.79  221.928 10271.71  315.906 10190.93  311.839  102.838   1.5825  102.433   1.5683 0.4045486 2.227960 
1 1 1  -12   11   15 o  129.016   1.1415 16041.70  270.605 16569.43  468.540 15777.56  331.480  130.577   1.8485  127.456   1.3398 3.120644 2.282958 
1 1 1  -12   11   16 o  209.357   1.4449 42661.25  567.540 42441.19  929.543 42792.05  716.617  208.878   2.2925  209.835   1.7593 -0.9577026 2.889778 
1 1 1  -12   11   17 o  141.023   1.3606 19357.46  370.823 19108.10  548.873 19566.87  502.974  140.174   2.0172  141.872   1.8263 -1.697617 2.721113 
1 1 1  -12   11   18 o   32.741   4.1525  1276.41   87.998  869.977  483.202  1290.35   89.495   29.035   8.2081   36.447   1.2650 -7.411354 8.304993 
1 1 1  -12   11   19 o  102.927   2.1559 10660.07  303.130  9892.74  780.272 10796.47  328.970  100.469   4.0008  105.386   1.6081 -4.916451 4.311894 
1 1 1  -12   11   20 o   28.097   4.7509  968.233   85.870  447.583  627.046  978.184   86.687   24.469   9.3970   31.726   1.4076 -7.256968 9.501841 
1 1 1  -12   11   21 o   43.671   3.6086  1700.48  102.276  2097.15  629.297  1689.72  103.654   45.642   7.1027   41.699   1.2805 3.943047 7.217223 
1 1 1  -12   11   22 o   68.257   3.0897  4355.66  173.338  4877.23  816.109  4331.02  177.385   69.770   6.0258   66.745   1.3691 3.025772 6.179343 
1 1 1  -12   11   23 o   76.617   1.0683  5721.86  158.523  5479.46  228.832  5945.53  219.812   75.047   1.5708   78.187   1.4483 -3.140526 2.136568 
1 1 1  -12   11   24 o   38.639   1.2014  1464.21   87.658  1407.28  139.917  1500.98  112.465   38.001   1.8967   39.277   1.4751 -1.275928 2.402785 
1 1 1  -12   11   25 o   28.696   1.5575  812.504   85.218  757.282  130.967  853.053  112.225   27.823   2.4249   29.570   1.9551 -1.747641 3.114919 
1 1 1  -12   11   26 o   23.574   1.9038  540.080   86.429  601.270  132.825  495.147  113.822   24.708   2.7693   22.440   2.6130 2.268358 3.807504 
1 1 1  -12   11   27 o   63.222   1.1261  3903.90  138.152  3900.71  197.911  3906.93  192.935   63.191   1.6134   63.252   1.5713 -0.6073761E-01 2.252163 
1 1 1  -12   11   28 f   22.096   2.2348  537.274   84.835  304.704  126.185  729.098  114.599   16.990   3.9074   27.202   2.1703 -10.21159 4.469693 
1 1 1  -12   11   29 o   30.415   1.5753  917.130   92.423  925.077  138.893  910.816  123.814   30.497   2.3461   30.334   2.1027 0.1638279 3.150532 
1 1 1  -12   11   30 o   28.005   1.8092  805.313   96.376  693.908  144.396  894.810  129.422   26.098   2.8503   29.912   2.2289 -3.814465 3.618335 
1 1 1  -12   11   31 o   16.529   2.8561  304.926   90.493  323.609  135.377  289.834  121.671   16.937   4.1501   16.120   3.9250 0.8171558 5.712131 
1 1 1  -12   11   32 o   10.635   2.9005   48.877   96.462  216.400  143.089 -90.6768  130.600   13.651   4.5793   7.6197   3.5611 6.031136 5.800986 
1 1 1  -12   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   12    1 o  179.984   1.1606 31382.03  402.729 30888.87  537.106 32015.38  608.674  178.375   1.5512  181.594   1.7267 -3.218582 2.321135 
1 1 1  -12   12    2 o  112.808   1.0015 12418.21  209.792 12579.01  261.946 12130.54  350.351  113.835   1.1854  111.781   1.6146 2.053963 2.003045 
1 1 1  -12   12    3 o  165.666   1.1886 26473.42  372.992 25885.17  475.346 27415.93  601.691  163.291   1.4996  168.041   1.8446 -4.749710 2.377246 
1 1 1  -12   12    4 o  235.337   1.3798 53774.18  630.326 53702.36  889.795 53846.54  893.043  235.179   1.9491  235.495   1.9536 -0.3152771 2.759572 
1 1 1  -12   12    5 o  132.227   0.9808 16968.50  251.699 16705.66  352.254 17242.69  359.779  131.181   1.3833  133.273   1.3907 -2.091690 1.961520 
1 1 1  -12   12    6 o   40.993   0.7179  1647.49   51.709  1592.84   95.611  1670.09   61.475   40.507   1.2159   41.480   0.7635 -0.9728203 1.435753 
1 1 1  -12   12    7 f  171.318   1.1583 28494.11  385.191 28835.16  547.394 28159.59  542.128  172.333   1.6363  170.302   1.6399 2.030869 2.316630 
1 1 1  -12   12    8 o  133.180   1.0225 17218.13  264.313 16936.25  371.694 17506.46  375.933  132.078   1.4497  134.283   1.4422 -2.205170 2.044918 
1 1 1  -12   12    9 o  235.422   1.5265 53827.11  690.836 53865.00  1052.96 53798.48  915.399  235.484   2.3035  235.361   2.0036 0.1223450 3.052944 
1 1 1  -12   12   10 o  150.665   1.3679 22039.41  399.998 22462.34  572.759 21636.76  558.863  152.076   1.9402  149.255   1.9289 2.820221 2.735883 
1 1 1  -12   12   11 o  156.072   1.3701 23654.41  415.020 23102.66  581.260 24228.21  592.763  154.216   1.9417  157.929   1.9335 -3.712540 2.740201 
1 1 1  -12   12   12 o   79.984   0.9449  6209.88  146.581  6257.21  212.226  6166.71  202.695   80.274   1.3619   79.693   1.3103 0.5813141 1.889882 
1 1 1  -12   12   13 o   33.204   0.8270  1071.51   49.797  1067.47   87.714  1073.43   60.491   33.156   1.3628   33.252   0.9371 -0.9623718E-01 1.653940 
1 1 1  -12   12   14 o  113.121   1.1794 12430.28  258.989 12427.09  366.398 12433.47  366.133  113.106   1.6688  113.136   1.6672 -0.2912140E-01 2.358865 
1 1 1  -12   12   15 o   67.399   0.7954  4390.23   95.696  4464.48  174.398  4358.24  114.469   67.799   1.3251   67.000   0.8801 0.7988586 1.590779 
1 1 1  -12   12   16 o  104.523   1.0136 10643.80  195.624 10513.43  331.647 10713.36  242.255  104.017   1.6425  105.030   1.1882 -1.013321 2.027235 
1 1 1  -12   12   17 o  129.489   1.2726 16301.08  318.044 16290.12  475.955 16309.92  427.502  129.439   1.8942  129.540   1.7001 -0.1006470 2.545279 
1 1 1  -12   12   18 o   71.127   2.3920  5231.79  183.353  4596.66  609.991  5294.88  192.244   68.429   4.5922   73.824   1.3415 -5.395149 4.784093 
1 1 1  -12   12   19 o   66.426   2.5087  4417.26  160.122  4198.87  615.487  4433.12  165.832   65.303   4.8554   67.550   1.2647 -2.246964 5.017365 
1 1 1  -12   12   20 f   49.376   3.3995  2199.26  109.779  2630.86  666.346  2187.22  111.300   51.304   6.6909   47.448   1.2084 3.856224 6.799100 
1 1 1  -12   12   21 o   58.402   2.8947  3358.95  140.848  3344.03  636.109  3359.71  144.434   58.005   5.6494   58.799   1.2654 -0.7942123 5.789359 
1 1 1  -12   12   22 o   39.669   5.1305  2207.88  119.527  1035.05  708.572  2242.23  121.265   31.310   10.178   48.027   1.3007 -16.71654 10.26107 
1 1 1  -12   12   23 o   38.339   6.4590  1447.48  111.683  1648.65  1123.34  1445.47  112.239   38.131   12.831   38.546   1.5000 -0.4157028 12.91796 
1 1 1  -12   12   24 o   44.387   1.1216  1921.44   95.107  1896.67  147.796  1938.95  124.250   44.131   1.7253   44.643   1.4337 -0.5125427 2.243248 
1 1 1  -12   12   25 f   86.809   1.2195  7344.76  205.303  7335.92  296.689  7352.88  284.386   86.751   1.7618   86.867   1.6865 -0.1158905 2.438929 
1 1 1  -12   12   26 o   45.474   1.1817  2025.13  103.821  1935.19  152.339  2103.14  141.869   44.514   1.7630   46.435   1.5739 -1.920601 2.363321 
1 1 1  -12   12   27 o   41.048   1.2428  1655.46   98.444  1570.89  145.069  1727.66  134.028   40.052   1.8659   42.045   1.6422 -1.993076 2.485615 
1 1 1  -12   12   28 o   18.139   2.6213  358.362   89.122  245.002  136.430  442.741  117.706   15.207   4.3821   21.072   2.8776 -5.864402 5.242512 
1 1 1  -12   12   29 o   41.880   1.2907  1742.52  103.207  1646.67  158.521  1813.05  135.972   40.808   2.0011   42.953   1.6308 -2.145271 2.581469 
1 1 1  -12   12   30 o   14.723   2.8863  247.706   88.585  161.053  138.309  307.977  115.349   12.583   4.4874   16.863   3.6312 -4.279620 5.772523 
1 1 1  -12   12   31 o   47.642   1.2384  2255.31  114.313  2211.74  165.876  2294.71  157.756   47.166   1.8117   48.118   1.6889 -0.9513474 2.476859 
1 1 1  -12   12   32 o   16.866   2.9664  333.879  101.077  209.488  142.139  461.129  143.763   13.450   4.5638   20.282   3.7908 -6.832563 5.932854 
1 1 1  -12   12   33 o   10.622   3.0989   90.110  105.086  132.303  145.242   43.758  152.231   11.365   4.4773   9.8793   4.2857 1.485685 6.197872 
1 1 1  -12   13    1 o  118.525   0.8975 13639.22  206.146 13671.54  283.663 13603.04  300.101  118.674   1.2313  118.376   1.3060 0.2988434 1.794945 
1 1 1  -12   13    2 o  109.705   0.8533 11667.22  181.372 11441.63  247.935 11926.92  266.015  108.566   1.1765  110.844   1.2363 -2.277695 1.706609 
1 1 1  -12   13    3 o  166.952   1.0969 27040.88  353.930 26860.55  477.949 27259.84  526.652  166.338   1.4802  167.566   1.6191 -1.228073 2.193745 
1 1 1  -12   13    4 o  169.462   1.1292 27805.95  369.519 27186.50  495.361 28583.08  554.840  167.342   1.5249  171.582   1.6658 -4.240234 2.258410 
1 1 1  -12   13    5 o   53.954   0.5570  2825.93   58.333  2802.66   82.926  2848.73   82.073   53.734   0.7950   54.174   0.7804 -0.4398422 1.114062 
1 1 1  -12   13    6 o   64.927   0.6972  4107.47   85.020  4030.01  138.410  4154.41  107.743   64.432   1.1066   65.421   0.8484 -0.9889679 1.394423 
1 1 1  -12   13    7 o   44.613   0.5193  1932.13   44.966  1905.92   63.765  1958.07   63.419   44.312   0.7413   44.914   0.7274 -0.6021843 1.038578 
1 1 1  -12   13    8 f  173.431   1.1974 29204.35  403.098 29038.51  567.500 29373.22  572.668  172.934   1.6905  173.928   1.6962 -0.9935760 2.394749 
1 1 1  -12   13    9 o  252.417   1.5671 61788.54  760.296 62610.17  1163.15 61175.61  1004.63  253.866   2.3603  250.968   2.0622 2.897888 3.134233 
1 1 1  -12   13   10 o  106.262   1.1202 10958.45  230.970 10545.08  322.560 11393.42  330.880  104.207   1.5946  108.318   1.5736 -4.111305 2.240324 
1 1 1  -12   13   11 o  190.242   1.5265 35160.14  563.683 34681.04  791.110 35654.21  803.367  188.926   2.1571  191.558   2.1605 -2.632034 3.053016 
1 1 1  -12   13   12 o   63.343   0.8344  3873.24  101.658  4054.46  156.126  3739.86  133.942   64.620   1.2446   62.065   1.1117 2.555382 1.668856 
1 1 1  -12   13   13 o  127.811   1.2490 15870.25  309.841 16084.94  436.331 15651.88  440.055  128.684   1.7467  126.938   1.7859 1.746307 2.498080 
1 1 1  -12   13   14 o  105.596   1.0211 10845.20  198.307 10781.70  339.574 10878.06  244.292  105.350   1.6605  105.842   1.1890 -0.4925766 2.042293 
1 1 1  -12   13   15 o  146.967   1.2231 21154.81  335.049 20384.53  552.647 21602.47  421.306  144.809   1.9660  149.124   1.4554 -4.315613 2.446105 
1 1 1  -12   13   16 o   58.391   0.7443  3338.36   76.947  3243.24  140.612  3379.02   91.934   57.786   1.2535   58.995   0.8028 -1.209194 1.488555 
1 1 1  -12   13   17 o   68.896   0.9263  4613.21  123.516  4581.88  181.547  4640.21  168.534   68.676   1.3618   69.117   1.2561 -0.4404068 1.852682 
1 1 1  -12   13   18 o   90.162   1.0436  7893.20  182.425  8029.21  265.547  7771.65  251.040   90.894   1.5050   89.429   1.4461 1.465309 2.087165 
1 1 1  -12   13   19 o   58.309   2.9893  3936.94  151.998  2707.49  592.969  4023.41  157.252   52.266   5.8445   64.353   1.2588 -12.08645 5.978512 
1 1 1  -12   13   20 o   34.876   3.9349  1273.50   91.358  1176.13  494.593  1276.94   92.958   33.501   7.7582   36.250   1.3210 -2.749256 7.869826 
1 1 1  -12   13   21 o   59.631   3.1412  3710.11  148.182  3279.22  684.528  3731.30  151.781   57.298   6.1544   61.965   1.2618 -4.667377 6.282470 
1 1 1  -12   13   22 o   47.005   6.1734  2529.17  129.760  2109.02  1074.62  2535.39  130.717   42.942   12.276   51.068   1.3186 -8.126770 12.34672 
1 1 1  -12   13   23 o   81.868   1.4856  6520.90  236.088   0.0000   0.0000  6520.90  236.088  ?   ?    81.868   1.4856      ?      ? 
1 1 1  -12   13   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   13   25 o   21.523   2.0287  455.303   83.676  453.182  128.841  456.850  110.041   21.459   3.0929   21.587   2.6260 -0.1280651 4.057331 
1 1 1  -12   13   26 o   30.757   1.5493  949.513   89.874  811.320  138.285  1050.57  118.256   28.730   2.4796   32.783   1.8583 -4.053110 3.098604 
1 1 1  -12   13   27 o   41.925   1.2180  1727.74   98.642  1580.54  142.195  1864.29  136.956   40.176   1.8233   43.675   1.6154 -3.499004 2.435964 
1 1 1  -12   13   28 o   64.819   1.1213  4095.96  140.363  4272.30  211.206  3956.47  187.848   66.041   1.6475   63.596   1.5216 2.445042 2.242684 
1 1 1  -12   13   29 o   61.682   1.1215  3740.17  133.372  3719.99  200.258  3756.25  178.793   61.488   1.6778   61.876   1.4885 -0.3882790 2.242918 
1 1 1  -12   13   30 o   57.436   1.1639  3258.98  129.561  3193.16  187.356  3319.30  179.361   56.849   1.6978   58.023   1.5924 -1.173649 2.327729 
1 1 1  -12   13   31 o   18.928   2.7770  412.470   99.525  286.206  149.754  512.357  133.196   15.676   4.6126   22.179   3.0937 -6.503114 5.553996 
1 1 1  -12   13   32 o   29.808   1.8735  911.049  107.717  1065.60  159.935  782.741  145.724   32.162   2.5618   27.454   2.7344 4.707586 3.746935 
1 1 1  -12   13   33 o   15.073   3.2587  288.304  104.971  317.963  145.084  255.721  152.066   15.946   4.4941   14.200   4.7200 1.745644 6.517348 
1 1 1  -12   14    1 o  203.830   1.2177 40286.29  478.486 39903.02  638.710 40776.50  722.343  202.730   1.6230  204.929   1.8158 -2.198975 2.435441 
1 1 1  -12   14    2 o   59.245   0.7548  3466.14   79.826  3562.44   96.356  3255.44  142.530   60.581   0.8194   57.909   1.2679 2.672272 1.509634 
1 1 1  -12   14    3 o   60.550   0.5854  3558.86   68.805  3561.91   96.582  3555.71   98.045   60.577   0.8213   60.524   0.8345 0.5286026E-01 1.170898 
1 1 1  -12   14    4 o  188.555   1.1815 34507.01  429.829 34411.56  576.579 34626.41  644.879  188.265   1.5777  188.845   1.7592 -0.5799561 2.363008 
1 1 1  -12   14    5 o  145.360   1.0659 20505.85  300.706 20142.25  419.795 20889.02  430.951  144.037   1.5014  146.683   1.5135 -2.645432 2.131879 
1 1 1  -12   14    6 o  233.999   1.3969 53170.30  634.508 53573.66  900.728 52772.96  893.968  234.880   1.9755  233.118   1.9755 1.761826 2.793804 
1 1 1  -12   14    7 o  197.944   1.2917 38033.48  496.234 37387.29  693.320 38712.20  710.559  196.221   1.8202  199.667   1.8333 -3.445862 2.583432 
1 1 1  -12   14    8 o  176.044   1.1863 30090.17  405.373 29855.82  569.252 30331.28  577.402  175.349   1.6724  176.739   1.6830 -1.390228 2.372615 
1 1 1  -12   14    9 o  114.235   1.0481 12608.83  223.895 12900.07  372.200 12443.68  280.275  115.258   1.6636  113.212   1.2753 2.045570 2.096179 
1 1 1  -12   14   10 o  157.990   1.4447 24244.31  443.040 23918.90  621.353 24580.84  631.885  156.912   2.0399  159.068   2.0464 -2.155930 2.889485 
1 1 1  -12   14   11 o  136.658   1.3102 18141.24  347.570 17987.38  491.305 18295.40  491.772  136.078   1.8599  137.239   1.8460 -1.161026 2.620484 
1 1 1  -12   14   12 o  117.467   1.1892 13404.53  271.115 13213.78  385.665 13590.90  381.202  116.640   1.7033  118.295   1.6601 -1.654739 2.378471 
1 1 1  -12   14   13 o   63.331   0.8271  3904.47  101.395  3712.09  146.602  4080.88  140.389   61.831   1.2214   64.832   1.1155 -3.000839 1.654178 
1 1 1  -12   14   14 o  108.034   1.0132 11354.51  201.508 11278.23  344.246 11394.28  248.539  107.745   1.6459  108.323   1.1820 -0.5775375 2.026343 
1 1 1  -12   14   15 o   16.654   1.1709  256.881   32.425  294.238   68.027  245.898   36.885   17.397   2.0144   15.912   1.1941 1.484408 2.341763 
1 1 1  -12   14   16 o   84.959   0.8927  7117.21  139.077  6678.96  235.925  7350.62  172.174   82.913   1.4658   87.005   1.0194 -4.091103 1.785474 
1 1 1  -12   14   17 o   55.018   0.8439  2940.55   89.943  2931.06  131.433  2948.91  123.348   54.933   1.2326   55.103   1.1532 -0.1695442 1.687896 
1 1 1  -12   14   18 o   67.017   0.8964  4365.11  116.520  4147.05  164.398  4585.24  165.174   65.333   1.2963   68.701   1.2385 -3.368027 1.792851 
1 1 1  -12   14   19 o   72.195   2.4376  4943.33  172.445  5277.49  668.257  4919.49  178.490   73.233   4.7008   71.157   1.2922 2.076027 4.875196 
1 1 1  -12   14   20 o   39.137   4.1763  1646.86   97.917  1443.76  578.616  1652.85   99.349   37.029   8.2599   41.244   1.2409 -4.215759 8.352556 
1 1 1  -12   14   21 o   33.592   4.8883  1351.86   96.347  909.838  641.367  1362.06   97.453   29.750   9.6842   37.435   1.3411 -7.684643 9.776616 
1 1 1  -12   14   22 o   29.640   5.3785  954.751   97.984  666.783  799.591  959.141   98.728   27.882   10.634   31.397   1.6199 -3.515368 10.75698 
1 1 1  -12   14   23 o   87.509   1.5863  7453.62  269.472   0.0000   0.0000  7453.62  269.472  ?   ?    87.509   1.5863      ?      ? 
1 1 1  -12   14   24 o   66.096   1.0870  4258.77  138.565  4193.61  207.278  4311.42  186.314   65.627   1.6271   66.565   1.4419 -0.9383163 2.174036 
1 1 1  -12   14   25 o   89.142   1.2408  7755.17  214.533  7472.99  305.404  8030.04  301.427   87.530   1.7974   90.754   1.7110 -3.224686 2.481591 
1 1 1  -12   14   26 o   38.839   1.2620  1452.99   94.150  1616.79  146.574  1337.93  122.844   40.665   1.8568   37.013   1.7098 3.652287 2.524096 
1 1 1  -12   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   14   28 o   44.235   1.2119  1904.16  103.345  2040.43  157.533  1801.21  136.927   45.596   1.7798   42.874   1.6452 2.721558 2.423759 
1 1 1  -12   14   29 o   12.825   2.7951  146.838   83.148  289.824  129.426   46.352  108.500   16.301   4.0953   9.3483   3.8052 6.952936 5.590264 
1 1 1  -12   14   30 o   16.098   2.8933  290.512   90.574  259.935  137.761  313.793  120.209   15.226   4.4081   16.971   3.7490 -1.744555 5.786677 
1 1 1  -12   14   31 o   19.513   2.5502  402.114   93.096  562.520  142.940  283.946  122.685   23.173   3.1776   15.854   3.9896 7.319238 5.100454 
1 1 1  -12   14   32 o   20.465   2.6250  500.986   96.474  304.473  147.315  648.553  127.658   15.896   4.5456   25.035   2.6269 -9.138813 5.249993 
1 1 1  -12   14   33 o   8.8667   2.7895  -2.6450   98.717 -71.9586  151.292   48.743  130.268   8.2838   3.8584   9.4496   4.0296 -1.165795 5.579038 
1 1 1  -12   15    1 o  167.480   1.1193 27179.18  361.694 26759.02  483.771 27711.74  544.648  166.018   1.5011  168.942   1.6608 -2.924179 2.238658 
1 1 1  -12   15    2 o  108.058   0.8476 11331.68  177.506 11275.43  243.967 11394.95  258.746  107.773   1.1661  108.342   1.2303 -0.5686569 1.695152 
1 1 1  -12   15    3 o   71.789   0.7843  5055.12  102.293  5155.21  125.054  4852.74  177.829   72.876   0.8840   70.702   1.2957 2.174240 1.568532 
1 1 1  -12   15    4 o   31.615   0.6315  978.413   37.782  931.924   59.816  1009.27   48.734   30.985   0.9945   32.246   0.7786 -1.260988 1.263018 
1 1 1  -12   15    5 o   70.554   0.6315  4832.75   86.476  4915.98  121.960  4748.59  122.634   71.165   0.8829   69.943   0.9032 1.222252 1.263042 
1 1 1  -12   15    6 o   63.681   0.8624  3936.31  106.592  3914.17  149.180  3959.42  152.359   63.498   1.2103   63.864   1.2290 -0.3657646 1.724880 
1 1 1  -12   15    7 o  238.888   1.4153 55421.59  656.307 55302.70  926.616 55541.27  929.709  238.631   2.0004  239.145   2.0027 -0.5139923 2.830601 
1 1 1  -12   15    8 o   60.829   0.7497  3591.73   81.417  3591.30   97.571  3592.73  147.738   60.825   0.8264   60.833   1.2511 -0.7591248E-02 1.499370 
1 1 1  -12   15    9 o   29.403   0.8445  837.722   38.436  841.980   86.425  836.672   42.913   29.447   1.5120   29.359   0.7530 0.8790398E-01 1.689080 
1 1 1  -12   15   10 o  155.226   1.4010 23407.56  422.126 23387.77  593.752 23427.78  600.252  155.161   1.9713  155.292   1.9912 -0.1312561 2.801979 
1 1 1  -12   15   11 o   82.800   0.9635  6653.62  154.502  6708.09  226.743  6606.41  211.092   83.115   1.4054   82.485   1.3184 0.6299744 1.926945 
1 1 1  -12   15   12 o  112.671   1.1770 12332.02  257.381 12144.15  365.649 12516.53  362.356  111.819   1.6845  113.523   1.6443 -1.703270 2.354039 
1 1 1  -12   15   13 o  129.106   1.1358 16361.58  272.047 15595.21  452.153 16796.42  340.592  126.696   1.8385  131.516   1.3341 -4.819534 2.271523 
1 1 1  -12   15   14 o   81.263   0.9750  6402.56  153.209  6539.93  227.888  6289.26  206.960   82.055   1.4307   80.471   1.3249 1.583542 1.949948 
1 1 1  -12   15   15 o   61.106   0.7443  3618.50   80.409  3643.67  148.644  3608.09   95.605   61.250   1.2502   60.962   0.8079 0.2879143 1.488509 
1 1 1  -12   15   16 o  103.753   1.0262 10466.03  193.978 10436.76  338.717 10480.32  236.624  103.627   1.6838  103.879   1.1735 -0.2518921 2.052381 
1 1 1  -12   15   17 o   59.381   0.8481  3435.16   97.125  3327.65  144.642  3523.43  131.070   58.530   1.2731   60.232   1.1210 -1.702637 1.696284 
1 1 1  -12   15   18 o   24.503   1.2192  586.073   56.229  574.319   91.003  593.332   71.514   24.298   1.9294   24.708   1.4910 -0.4101467 2.438386 
1 1 1  -12   15   19 o   46.795   4.1115  2673.97  116.525  1736.36  622.044  2708.07  118.625   40.791   8.1411   52.799   1.1574 -12.00820 8.222923 
1 1 1  -12   15   20 o   93.534   2.2467  8156.80  253.993  9071.32  788.604  8050.95  268.289   96.065   4.2289   91.002   1.5188 5.063812 4.493347 
1 1 1  -12   15   21 o  118.208   2.9620 13638.22  393.224 13902.66  1294.60 13611.34  412.724  118.150   5.6446  118.266   1.7978 -0.1152878 5.923989 
1 1 1  -12   15   22 o   72.064   1.3986  5049.50  195.644   0.0000   0.0000  5049.50  195.644  ?   ?    72.064   1.3986      ?      ? 
1 1 1  -12   15   23 o   10.881   3.7575  106.070   96.441   0.0000   0.0000  106.070   96.441  ?   ?    10.881   3.7575      ?      ? 
1 1 1  -12   15   24 o   50.427   1.0611  2483.97  103.218  2386.43  153.101  2565.23  139.753   49.507   1.5931   51.347   1.4021 -1.839470 2.122249 
1 1 1  -12   15   25 f   48.064   1.1198  2257.06  103.071  2216.01  158.581  2287.08  135.625   47.668   1.7138   48.461   1.4417 -0.7921486 2.239569 
1 1 1  -12   15   26 o   11.225   2.7710  106.821   81.231  -2.3259  129.979  176.771  104.055   9.3031   3.9976   13.146   3.8383 -3.843287 5.541941 
1 1 1  -12   15   27 o   40.097   1.2476  1569.99   96.125  1606.60  147.515  1542.97  126.724   40.478   1.8774   39.716   1.6437 0.7626076 2.495275 
1 1 1  -12   15   28 o   45.122   1.1696  1957.87  100.571  2192.35  161.471  1809.26  128.551   47.257   1.7602   42.987   1.5405 4.270145 2.339126 
1 1 1  -12   15   29 o   15.135   2.7637  254.584   81.732  208.740  130.163  284.425  105.016   13.911   4.3445   16.358   3.4173 -2.447664 5.527436 
1 1 1  -12   15   30 o   49.101   1.1878  2380.28  111.665  2389.16  172.824  2373.92  146.306   49.109   1.8129   49.093   1.5353 0.1587677E-01 2.375652 
1 1 1  -12   15   31 f   12.142   3.0180  158.050   89.343  118.179  138.820  186.242  116.731   11.372   4.4067   12.911   4.1248 -1.539637 6.035917 
1 1 1  -12   15   32 o   10.046   2.8680   29.255   91.130  183.068  146.439 -67.9596  116.420   12.722   4.6075   7.3700   3.4164 5.352029 5.735956 
1 1 1  -12   15   33 o   14.126   2.9672  211.801   97.447  419.022  152.869   69.961  126.475   18.494   4.3339   9.7586   4.0538 8.734952 5.934346 
1 1 1  -12   16    1 o  131.616   0.9602 16833.96  244.847 17109.46  337.509 16527.90  355.742  132.755   1.3097  130.477   1.4045 2.277908 1.920423 
1 1 1  -12   16    2 o  176.186   1.1480 30089.15  390.822 29638.83  526.211 30643.15  583.651  174.721   1.5515  177.651   1.6925 -2.930237 2.295996 
1 1 1  -12   16    3 o  239.829   1.3338 55765.05  614.509 55254.84  810.897 56453.30  941.818  238.550   1.7511  241.108   2.0123 -2.557510 2.667547 
1 1 1  -12   16    4 o   77.214   0.6694  5784.45  100.237  5724.61  138.386  5850.49  145.387   76.795   0.9283   77.634   0.9647 -0.8393860 1.338840 
1 1 1  -12   16    5 o  120.342   0.9045 14036.32  210.653 13777.49  285.741 14344.48  311.776  119.130   1.2356  121.555   1.3213 -2.424751 1.809040 
1 1 1  -12   16    6 o  101.549   0.8226  9977.62  161.624  9628.28  218.378 10400.76  240.340   99.590   1.1296  103.507   1.1962 -3.916809 1.645240 
1 1 1  -12   16    7 o  103.637   0.8485 10424.62  170.670 10599.49  243.643 10256.15  239.146  104.490   1.2012  102.784   1.1986 1.706200 1.696916 
1 1 1  -12   16    8 o   97.884   0.8104  9296.31  153.934  9093.12  214.361  9512.65  221.191   96.780   1.1410   98.987   1.1511 -2.207161 1.620810 
1 1 1  -12   16    9 o   70.193   0.7956  4825.71  102.213  4655.51  175.368  4913.27  125.788   69.244   1.3047   71.142   0.9108 -1.897934 1.591166 
1 1 1  -12   16   10 o   61.772   0.8301  3701.95   98.604  3724.88  150.308  3684.63  130.645   61.938   1.2501   61.605   1.0925 0.3328743 1.660227 
1 1 1  -12   16   11 o  179.940   1.4787 31453.39  516.445 32001.34  735.452 30920.35  725.378  181.486   2.0876  178.394   2.0947 3.092194 2.957323 
1 1 1  -12   16   12 o  114.372   1.1864 12707.11  263.365 12581.79  374.489 12829.74  370.453  113.814   1.6950  114.931   1.6605 -1.117676 2.372827 
1 1 1  -12   16   13 o   74.579   0.8069  5351.14  107.840  5528.88  195.934  5273.90  129.165   75.453   1.3377   73.704   0.9028 1.748871 1.613862 
1 1 1  -12   16   14 o   74.240   0.8190  5366.06  109.425  5315.80  195.245  5389.07  132.127   73.979   1.3596   74.502   0.9136 -0.5230637 1.638031 
1 1 1  -12   16   15 o   49.638   0.7178  2421.24   60.570  2332.89  117.978  2452.87   70.583   49.010   1.2401   50.266   0.7234 -1.255447 1.435646 
1 1 1  -12   16   16 o  103.600   1.0434 10528.04  197.881 10124.94  339.057 10736.27  243.688  102.063   1.7114  105.138   1.1940 -3.074593 2.086722 
1 1 1  -12   16   17 o   58.307   0.8723  3293.06   97.310  3356.51  151.632  3248.64  126.885   58.779   1.3289   57.834   1.1302 0.9448166 1.744546 
1 1 1  -12   16   18 o   34.640   0.9618  1148.07   62.952  1241.90  103.164  1092.41   79.462   35.746   1.4867   33.533   1.2207 2.212963 1.923672 
1 1 1  -12   16   19 o   39.801   3.4110  1228.81   80.078  1955.99  577.101  1214.53   80.860   44.244   6.7195   35.358   1.1781 8.885391 6.821992 
1 1 1  -12   16   20 o   51.190   3.4250  2685.35  118.435  2481.30  651.526  2692.32  120.442   49.739   6.7479   52.641   1.1787 -2.901787 6.850035 
1 1 1  -12   16   21 o   44.673   1.2706  1939.73  110.187   0.0000   0.0000  1939.73  110.187  ?   ?    44.673   1.2706      ?      ? 
1 1 1  -12   16   22 o   59.048   1.3468  3389.92  154.379   0.0000   0.0000  3389.92  154.379  ?   ?    59.048   1.3468      ?      ? 
1 1 1  -12   16   23 o   62.115   1.3867  3752.84  167.204   0.0000   0.0000  3752.84  167.204  ?   ?    62.115   1.3867      ?      ? 
1 1 1  -12   16   24 o   60.438   1.4124  3554.40  165.705   0.0000   0.0000  3554.40  165.705  ?   ?    60.438   1.4124      ?      ? 
1 1 1  -12   16   25 o   53.230   1.0909  2728.24  110.982  2945.58  175.529  2583.49  143.250   54.959   1.6453   51.500   1.4329 3.459457 2.181793 
1 1 1  -12   16   26 o   45.565   1.1542  2041.08  100.847  1930.37  152.676  2126.76  134.319   44.437   1.7699   46.693   1.4819 -2.255604 2.308403 
1 1 1  -12   16   27 o   25.735   1.7402  649.919   85.646  681.592  134.399  628.263  111.133   26.225   2.6401   25.246   2.2677 0.9782906 3.480311 
1 1 1  -12   16   28 o   11.724   2.9149  131.029   82.533   94.434  133.111  153.884  105.194   11.176   4.3194   12.273   3.9151 -1.097006 5.829710 
1 1 1  -12   16   29 o   37.014   1.3659  1366.95   96.257  1301.66  149.478  1413.21  125.815   36.174   2.1287   37.854   1.7122 -1.680836 2.731865 
1 1 1  -12   16   30 f   14.805   2.8915  249.935   89.770  157.544  136.273  320.765  119.318   12.443   4.4524   17.166   3.6905 -4.722898 5.783046 
1 1 1  -12   16   31 o   15.363   2.9904  267.395   91.821  322.188  139.630  225.645  121.882   16.681   4.2883   14.045   4.1688 2.636622 5.980703 
1 1 1  -12   16   32 o   15.724   3.1313  296.374   99.139  317.699  149.312  279.559  132.583   16.143   4.5625   15.306   4.2900 0.8368082 6.262583 
1 1 1  -12   17    1 o   22.493   0.8385  478.491   35.800  435.224   45.300  550.457   58.424   21.174   1.1021   23.812   1.2639 -2.638035 1.676979 
1 1 1  -12   17    2 o  192.752   1.2136 36072.87  451.256 36054.88  605.327 36095.38  677.018  192.702   1.6182  192.801   1.8089 -0.9948730E-01 2.427125 
1 1 1  -12   17    3 o  123.912   0.9374 14899.36  224.833 14815.79  306.155 14997.19  331.251  123.537   1.2767  124.288   1.3730 -0.7517395 1.874821 
1 1 1  -12   17    4 f  191.535   1.1895 35640.70  439.449 35800.49  589.977 35441.54  658.626  192.021   1.5828  191.048   1.7760 0.9738464 2.378908 
1 1 1  -12   17    5 o  234.344   1.3271 53358.14  599.456 53571.68  802.456 53088.52  901.716  234.882   1.7600  233.806   1.9868 1.076385 2.654204 
1 1 1  -12   17    6 o  159.307   1.0767 24663.62  331.837 24921.16  452.456 24363.83  488.151  160.211   1.4549  158.404   1.5875 1.806732 2.153336 
1 1 1  -12   17    7 o  123.615   0.9376 14837.36  224.538 14857.20  308.034 14814.87  327.993  123.705   1.2828  123.526   1.3679 0.1788712 1.875242 
1 1 1  -12   17    8 o  151.157   1.1102 22178.82  325.697 21743.51  454.900 22636.68  466.529  149.636   1.5661  152.678   1.5741 -3.042007 2.220468 
1 1 1  -12   17    9 o   89.519   0.9051  7792.31  150.641  7741.23  251.953  7820.73  187.930   89.285   1.4537   89.753   1.0787 -0.4672012 1.810178 
1 1 1  -12   17   10 o  130.670   1.2988 16586.08  329.422 16621.31  464.352 16550.39  467.410  130.810   1.8287  130.530   1.8447 0.2802734 2.597500 
1 1 1  -12   17   11 o  139.348   1.3407 18862.78  362.667 18729.00  512.029 18997.47  513.752  138.852   1.8997  139.844   1.8925 -0.9920807 2.681494 
1 1 1  -12   17   12 o   78.992   0.8923  6062.86  136.001  6022.78  203.516  6095.21  182.816   78.754   1.3312   79.230   1.1887 -0.4761276 1.784693 
1 1 1  -12   17   13 o  118.763   1.0700 13731.12  234.520 13603.18  398.287 13799.02  290.154  118.324   1.7340  119.203   1.2539 -0.8786926 2.139915 
1 1 1  -12   17   14 o   16.052   1.4124  290.645   29.804  204.355   70.953  309.132   32.842   14.261   2.6609   17.843   0.9482 -3.582308 2.824811 
1 1 1  -12   17   15 o   64.990   0.7720  4087.93   88.579  4134.49  164.346  4068.86  105.160   65.242   1.2977   64.737   0.8368 0.5056458 1.544096 
1 1 1  -12   17   16 o   59.335   0.7599  3472.13   79.131  3293.83  145.854  3546.51   94.200   58.231   1.2903   60.439   0.8029 -2.207386 1.519736 
1 1 1  -12   17   17 o   85.614   1.0363  7118.83  171.778  7178.09  252.713  7067.93  234.203   85.941   1.5148   85.286   1.4146 0.6548538 2.072654 
1 1 1  -12   17   18 o   54.443   3.3955  2884.76  349.155  3059.07  570.170  2780.18  441.648   55.664   5.2767   53.221   4.2749 2.443340 6.791060 
1 1 1  -12   17   19 o   44.861   3.4119  2006.10   98.843  1959.33  578.104  2007.51  100.321   44.262   6.7284   45.459   1.1368 -1.197304 6.823730 
1 1 1  -12   17   20 o   58.055   1.2029  3274.88  135.561   0.0000   0.0000  3274.88  135.561  ?   ?    58.055   1.2029      ?      ? 
1 1 1  -12   17   21 o   94.669   4.4828  8858.15  823.793   0.0000   0.0000  8858.15  823.793  ?   ?    94.669   4.4828      ?      ? 
1 1 1  -12   17   22 o   69.906   1.4108  4752.49  191.448   0.0000   0.0000  4752.49  191.448  ?   ?    69.906   1.4108      ?      ? 
1 1 1  -12   17   23 f  122.282   2.1750 14590.02  516.277   0.0000   0.0000 14590.02  516.277  ?   ?   122.282   2.1750      ?      ? 
1 1 1  -12   17   24 o   90.163   1.7054  7920.92  298.480   0.0000   0.0000  7920.92  298.480  ?   ?    90.163   1.7054      ?      ? 
1 1 1  -12   17   25 o   43.773   1.1723  1882.79   98.478  1767.60  148.273  1973.70  131.727   42.547   1.7953   44.999   1.5080 -2.451855 2.344599 
1 1 1  -12   17   26 f   31.103   1.4200  954.647   83.049  920.220  134.044  976.095  105.802   30.605   2.2563   31.600   1.7248 -0.9947319 2.840011 
1 1 1  -12   17   27 o   13.812   2.7774  176.409   77.319  293.047  131.760  115.150   95.489   16.627   4.1065   10.996   3.7406 5.631182 5.554770 
1 1 1  -12   17   28 o   14.446   2.8028  206.921   78.454  289.703  134.137  163.879   96.723   16.379   4.1991   12.513   3.7136 3.866358 5.605680 
1 1 1  -12   17   29 o   23.328   1.8758  544.333   81.987  570.303  136.036  529.519  102.743   23.647   2.9635   23.008   2.3004 0.6392651 3.751573 
1 1 1  -12   17   30 o   12.400   2.8161  115.039   84.117  306.986  140.774   8.4486  104.904   16.464   4.3423   8.3365   3.5870 8.127851 5.632271 
1 1 1  -12   17   31 o   10.999   2.9717  114.108   87.409   96.405  142.204  124.858  110.815   10.921   4.3879   11.077   4.0086 -0.1551857 5.943305 
1 1 1  -12   17   32 o   13.125   3.1088  205.224   94.007  171.575  147.525  228.228  121.979   12.377   4.6006   13.873   4.1825 -1.495727 6.217637 
1 1 1  -12   18    1 o  110.122   0.8672 11768.15  185.010 11697.66  253.460 11848.54  270.674  109.770   1.1895  110.475   1.2622 -0.7041931 1.734348 
1 1 1  -12   18    2 o  128.121   0.9424 15912.93  233.602 15660.92  316.512 16214.45  346.209  127.010   1.2838  129.232   1.3801 -2.222610 1.884851 
1 1 1  -12   18    3 o  139.763   1.0186 18928.78  275.259 18577.15  371.469 19356.96  409.914  138.328   1.3834  141.198   1.4955 -2.869949 2.037266 
1 1 1  -12   18    4 o  313.137   1.5087 95338.54  907.914 95959.82  1204.17 94520.07  1382.12  314.336   1.9735  311.937   2.2825 2.399200 3.017347 
1 1 1  -12   18    5 o   91.828   0.9104  8129.10  151.975  8024.91  184.359  8350.03  268.465   90.921   1.0446   92.735   1.4913 -1.814705 1.820773 
1 1 1  -12   18    6 o   41.974   0.7018  1755.03   50.416  1808.38   59.247  1615.00   95.987   43.163   0.7071   40.786   1.2124 2.376617 1.403515 
1 1 1  -12   18    7 o   77.138   0.6680  5775.51   99.938  5757.19  138.273  5795.54  144.608   77.010   0.9250   77.266   0.9641 -0.2554398 1.336082 
1 1 1  -12   18    8 o  100.193   0.8266  9745.73  160.748  9686.72  225.687  9806.50  229.013   99.886   1.1640  100.501   1.1739 -0.6154022 1.653116 
1 1 1  -12   18    9 o  133.356   1.2663 17372.52  309.401 16973.63  531.480 17577.00  380.530  132.174   2.0715  134.538   1.4571 -2.363602 2.532578 
1 1 1  -12   18   10 o  100.173   1.0798  9744.63  209.950  9758.10  298.963  9731.53  294.908  100.241   1.5364  100.105   1.5176 0.1359100 2.159575 
1 1 1  -12   18   11 o  129.586   1.2781 16311.46  321.482 16080.39  453.171 16545.56  456.132  128.662   1.8145  130.510   1.8004 -1.848526 2.556143 
1 1 1  -12   18   12 o  156.386   1.2423 23826.80  362.939 23510.88  599.327 24009.76  456.076  155.544   1.9849  157.227   1.4943 -1.682846 2.484542 
1 1 1  -12   18   13 f   51.178   0.7147  2481.52   59.139  2655.14  127.218  2433.66   66.795   52.287   1.2534   50.069   0.6872 2.217762 1.429439 
1 1 1  -12   18   14 o   28.929   0.7866  829.594   33.809  786.625   79.004  839.227   37.407   28.456   1.4302   29.402   0.6554 -0.9461422 1.573254 
1 1 1  -12   18   15 o   13.984   1.5356  162.559   28.535  240.559   81.090  151.535   30.484   15.478   2.8020   12.490   1.2573 2.987984 3.071141 
1 1 1  -12   18   16 o  115.948   1.0947 12999.61  232.996 13260.80  403.074 12868.53  285.533  116.796   1.7778  115.099   1.2780 1.697021 2.189499 
1 1 1  -12   18   17 o   72.234   0.9469  5062.20  132.210  5148.92  196.962  4991.08  178.365   72.793   1.3939   71.675   1.2820 1.117920 1.893776 
1 1 1  -12   18   18 o   44.241   0.8851  1915.92   74.047  1835.93  117.664  1968.37   95.280   43.466   1.3945   45.017   1.0903 -1.551197 1.770197 
1 1 1  -12   18   19 o   42.548   0.8645  1745.88   70.773  1852.99  108.771  1667.24   93.201   43.669   1.2831   41.427   1.1590 2.242283 1.729072 
1 1 1  -12   18   20 o   25.390   1.5740  626.899   77.577   0.0000   0.0000  626.899   77.577  ?   ?    25.390   1.5740      ?      ? 
1 1 1  -12   18   21 o   72.580   1.4212  5122.58  200.237   0.0000   0.0000  5122.58  200.237  ?   ?    72.580   1.4212      ?      ? 
1 1 1  -12   18   22 o   52.425   1.2894  2672.39  131.215   0.0000   0.0000  2672.39  131.215  ?   ?    52.425   1.2894      ?      ? 
1 1 1  -12   18   23 o   56.051   1.3624  3055.90  148.237   0.0000   0.0000  3055.90  148.237  ?   ?    56.051   1.3624      ?      ? 
1 1 1  -12   18   24 o   15.092   3.3096  233.005   94.292   0.0000   0.0000  233.005   94.292  ?   ?    15.092   3.3096      ?      ? 
1 1 1  -12   18   25 o   25.978   1.7116  659.953   83.357  673.121  137.519  652.305  104.806   26.144   2.7097   25.812   2.0917 0.3319817 3.423140 
1 1 1  -12   18   26 o   11.592   2.8438  114.781   77.247  170.417  124.859   80.280   98.324   13.110   4.2731   10.074   3.7536 3.035932 5.687664 
1 1 1  -12   18   27 f   9.9320   2.7490   64.397   78.138   2.1765  130.299   99.338   97.643   9.3127   4.0022   10.551   3.7696 -1.238599 5.497921 
1 1 1  -12   18   28 o   24.784   1.7738  601.657   81.673  652.250  139.342  575.179  100.805   25.474   2.8178   24.094   2.1553 1.379953 3.547618 
1 1 1  -12   18   29 o   21.124   2.2528  437.486   86.108  681.025  139.783  288.554  109.311   25.888   2.7815   16.360   3.5446 9.528919 4.505627 
1 1 1  -12   18   30 o   34.940   1.5030  1252.31   99.266  1015.34  147.811  1446.98  133.973   31.705   2.4016   38.174   1.8080 -6.468525 3.006094 
1 1 1  -12   18   31 o   18.518   2.7483  391.593   96.263  327.680  146.651  439.980  127.601   16.661   4.4502   20.375   3.2262 -3.714342 5.496596 
1 1 1  -12   18   32 o   11.055   3.0838  117.442   97.198  127.833  144.607  108.879  131.275   11.347   4.4683   10.762   4.2513 0.5841579 6.167616 
1 1 1  -12   19    1 o  181.721   1.1780 32062.76  413.307 32031.42  556.237 32101.39  617.572  181.626   1.5777  181.815   1.7498 -0.1893311 2.356038 
1 1 1  -12   19    2 o  221.350   1.3019 47569.70  554.995 47484.12  739.611 47680.00  839.633  221.130   1.7230  221.570   1.9522 -0.4398651 2.603785 
1 1 1  -12   19    3 o   78.276   0.6726  5949.16  102.146  5994.50  142.542  5901.29  146.451   78.583   0.9344   77.969   0.9676 0.6137543 1.345166 
1 1 1  -12   19    4 o  160.443   1.1094 25012.47  344.413 25210.49  469.555 24781.86  506.712  161.134   1.5012  159.752   1.6340 1.381546 2.218892 
1 1 1  -12   19    5 o  176.509   1.1662 30244.13  397.566 30149.23  535.583 30360.60  593.328  176.206   1.5658  176.813   1.7287 -0.6076050 2.332410 
1 1 1  -12   19    6 o   44.013   0.5143  1881.65   43.787  1896.60   59.629  1864.15   64.508   44.203   0.6949   43.822   0.7583 0.3802490 1.028578 
1 1 1  -12   19    7 o   71.450   0.6359  4947.96   88.094  4804.27  121.042  5109.78  128.457   70.349   0.8864   72.551   0.9121 -2.201942 1.271850 
1 1 1  -12   19    8 f  136.636   1.1358 18157.04  299.267 17901.43  448.159 18362.74  402.040  135.762   1.7006  137.510   1.5062 -1.748352 2.271650 
1 1 1  -12   19    9 o  131.778   1.1889 16868.60  298.759 16852.97  468.512 16879.32  387.847  131.719   1.8323  131.838   1.5155 -0.1195526 2.377860 
1 1 1  -12   19   10 f  113.111   1.2592 12452.61  275.696 12030.87  401.192 12829.97  379.497  111.289   1.8571  114.933   1.7010 -3.644211 2.518366 
1 1 1  -12   19   11 o   70.799   0.7970  4870.12   99.576  4858.59  184.230  4874.88  118.353   70.734   1.3417   70.863   0.8604 -0.1288986 1.593903 
1 1 1  -12   19   12 o   33.048   0.7810  1049.84   42.549  1080.73   88.210  1040.48   48.574   33.358   1.3622   32.738   0.7643 0.6200523 1.562003 
1 1 1  -12   19   13 o  147.934   1.2334 21205.39  337.195 21468.09  574.127 21067.06  416.621  148.604   1.9903  147.264   1.4574 1.339630 2.466823 
1 1 1  -12   19   14 o   63.707   0.7645  3967.56   84.662  3881.88  159.822  4000.98   99.818   63.218   1.3024   64.196   0.8010 -0.9771271 1.528967 
1 1 1  -12   19   15 o   96.169   0.9593  9019.50  168.192  8882.16  292.382  9087.42  205.619   95.605   1.5755   96.733   1.0950 -1.128639 1.918631 
1 1 1  -12   19   16 o   47.005   0.7332  2140.85   55.948  2154.61  117.894  2136.85   63.561   47.095   1.2896   46.915   0.6979 0.1801338 1.466324 
1 1 1  -12   19   17 o   26.339   1.1447  676.206   52.378  670.331   99.296  678.471   61.653   26.250   1.9487   26.428   1.2018 -0.1777916 2.289470 
1 1 1  -12   19   18 o   44.504   4.1637  2027.40  329.520  1800.62  580.687  2135.11  400.196   42.398   7.0555   46.610   4.4231 -4.211529 8.327348 
1 1 1  -12   19   19 o   41.065   0.8850  1649.59   69.839  1550.45  104.667  1729.15   93.764   39.942   1.3499   42.189   1.1449 -2.246723 1.770087 
1 1 1  -12   19   20 o   49.770   1.1887  2406.98  114.844   0.0000   0.0000  2406.98  114.844  ?   ?    49.770   1.1887      ?      ? 
1 1 1  -12   19   21 o   97.739   1.7637  9298.62  334.617   0.0000   0.0000  9298.62  334.617  ?   ?    97.739   1.7637      ?      ? 
1 1 1  -12   19   22 o   42.601   1.3258  1764.95  109.640   0.0000   0.0000  1764.95  109.640  ?   ?    42.601   1.3258      ?      ? 
1 1 1  -12   19   23 o  112.963   2.0231 12446.60  443.616   0.0000   0.0000 12446.60  443.616  ?   ?   112.963   2.0231      ?      ? 
1 1 1  -12   19   24 o   12.926   3.5648  170.391   92.344   0.0000   0.0000  170.391   92.344  ?   ?    12.926   3.5648      ?      ? 
1 1 1  -12   19   25 o   52.590   1.1152  2723.32  111.786  2554.28  172.353  2846.06  146.867   51.139   1.7362   54.040   1.4001 -2.901081 2.230376 
1 1 1  -12   19   26 o   8.6566   2.6141  -2.9461   75.272   37.670  124.850 -26.1409   94.348   9.8469   4.0533   7.4664   3.3021 2.380501 5.228109 
1 1 1  -12   19   27 o   18.580   2.2704  329.195   77.684  448.633  132.285  266.326   95.976   21.131   3.2250   16.030   3.1965 5.100836 4.540733 
1 1 1  -12   19   28 o   11.931   2.8810  138.403   77.974  160.782  128.514  125.364   98.093   12.631   4.3389   11.231   3.7914 1.400577 5.761996 
1 1 1  -12   19   29 o   19.730   2.2601  406.007   82.493  409.170  131.168  403.938  106.103   19.520   3.5941   19.940   2.7412 -0.4199085 4.520155 
1 1 1  -12   19   30 o   24.032   1.9857  609.337   88.996  518.068  139.774  671.566  115.414   22.260   3.2347   25.804   2.3042 -3.543711 3.971474 
1 1 1  -12   19   31 o   23.660   2.0728  569.357   93.050  664.759  152.126  512.328  117.618   25.082   3.1245   22.237   2.7248 2.844610 4.145697 
1 1 1  -12   19   32 o   18.956   2.8012  447.153  101.009  272.777  155.113  575.544  133.099   14.688   4.7614   23.224   2.9524 -8.536139 5.602422 
1 1 1  -12   20    1 o   97.092   0.7911  9151.56  149.003  9143.67  206.809  9160.06  214.867   97.049   1.0978   97.135   1.1395 -0.8603668E-01 1.582293 
1 1 1  -12   20    2 o  100.955   0.8084  9891.93  158.196  9842.85  217.756  9946.77  230.210  100.691   1.1141  101.220   1.1716 -0.5288544 1.616752 
1 1 1  -12   20    3 o   88.319   0.7531  7575.60  129.058  7750.52  181.482  7396.63  183.567   89.351   1.0463   87.287   1.0834 2.064377 1.506157 
1 1 1  -12   20    4 o  153.786   1.0751 22975.70  319.638 23080.34  433.405 22850.89  473.297  154.174   1.4482  153.399   1.5894 0.7749329 2.150238 
1 1 1  -12   20    5 o   87.881   0.7327  7487.73  124.741  7351.48  170.315  7645.38  183.209   87.021   1.0082   88.742   1.0635 -1.721291 1.465495 
1 1 1  -12   20    6 o   58.099   0.5596  3276.07   63.100  3231.04   88.481  3322.67   90.014   57.693   0.7901   58.505   0.7926 -0.8123245 1.119107 
1 1 1  -12   20    7 o  103.326   0.8219 10359.15  164.545 10265.38  225.390 10466.17  240.774  102.826   1.1292  103.825   1.1947 -0.9988937 1.643853 
1 1 1  -12   20    8 f   67.954   0.8028  4473.22   98.830  4511.17  174.958  4455.44  119.769   68.161   1.3223   67.746   0.9107 0.4148636 1.605595 
1 1 1  -12   20    9 o  112.238   1.2857 12236.99  280.106 12356.38  395.711 12117.09  396.549  112.787   1.8074  111.689   1.8290 1.098465 2.571388 
1 1 1  -12   20   10 o  149.781   1.6081 21800.22  467.216 21714.63  648.016 21892.88  674.250  149.478   2.2333  150.083   2.3143 -0.6051178 3.216150 
1 1 1  -12   20   11 o  103.967   1.0760 10541.11  206.395 10361.43  350.060 10636.87  255.536  103.273   1.7462  104.660   1.2578 -1.387520 2.152019 
1 1 1  -12   20   12 o  144.655   1.2259 20338.62  329.521 20312.78  552.558 20352.88  410.506  144.560   1.9691  144.750   1.4609 -0.1903534 2.451868 
1 1 1  -12   20   13 o   80.186   0.8689  6262.57  126.271  6194.81  222.305  6294.85  153.424   79.856   1.4341   80.517   0.9816 -0.6608429 1.737865 
1 1 1  -12   20   14 o   15.484   1.3427  172.589   26.214  323.819   86.528  157.306   27.507   18.241   2.4437   12.727   1.1134 5.513524 2.685378 
1 1 1  -12   20   15 o   61.222   0.7736  3716.80   81.835  3470.28  154.069  3813.68   96.586   59.769   1.3279   62.674   0.7939 -2.904850 1.547142 
1 1 1  -12   20   16 o   51.778   0.7553  2620.39   63.858  2573.01  132.632  2634.69   72.859   51.462   1.3277   52.093   0.7205 -0.6317062 1.510598 
1 1 1  -12   20   17 o   96.910   1.1179  9116.14  209.271  9259.69  312.792  8999.81  281.572   97.593   1.6511   96.227   1.5074 1.365837 2.235707 
1 1 1  -12   20   18 f   64.250   0.9144  4024.46  113.165  3895.90  169.434  4128.00  152.053   63.316   1.3786   65.185   1.2017 -1.868599 1.828774 
1 1 1  -12   20   19 o   50.895   0.9166  2530.59   89.041  2440.43  137.859  2595.13  116.631   50.106   1.4174   51.683   1.1625 -1.576305 1.833130 
1 1 1  -12   20   20 o   62.553   1.2847  3803.28  155.999   0.0000   0.0000  3803.28  155.999  ?   ?    62.553   1.2847      ?      ? 
1 1 1  -12   20   21 o   43.797   1.2103  1864.27  102.894   0.0000   0.0000  1864.27  102.894  ?   ?    43.797   1.2103      ?      ? 
1 1 1  -12   20   22 o   91.183   1.6852  8095.40  298.282   0.0000   0.0000  8095.40  298.282  ?   ?    91.183   1.6852      ?      ? 
1 1 1  -12   20   23 o   44.367   1.3560  1914.94  116.785   0.0000   0.0000  1914.94  116.785  ?   ?    44.367   1.3560      ?      ? 
1 1 1  -12   20   24 o   60.453   1.3609  3557.87  159.700   0.0000   0.0000  3557.87  159.700  ?   ?    60.453   1.3609      ?      ? 
1 1 1  -12   20   25 o   55.266   1.0409  2947.64  110.703  3205.99  170.508  2759.37  145.552   57.326   1.5322   53.205   1.4093 4.121796 2.081792 
1 1 1  -12   20   26 o   40.211   1.2032  1540.34   90.970  1748.10  152.232  1424.94  113.456   42.232   1.8569   38.189   1.5305 4.043327 2.406352 
1 1 1  -12   20   27 o   16.683   2.4189  258.066   75.826  435.742  128.847  163.932   93.785   20.814   3.1890   12.551   3.6381 8.263331 4.837893 
1 1 1  -12   20   28 o   19.727   2.3139  411.291   80.733  379.740  137.715  427.812   99.652   18.779   3.9052   20.676   2.4829 -1.896992 4.627713 
1 1 1  -12   20   29 o   18.119   2.3673  314.537   79.088  563.424  132.246  175.961   98.679   23.486   2.9008   12.752   3.7420 10.73331 4.734646 
1 1 1  -12   20   30 o   32.222   1.6259  1054.68   98.958  1021.52  157.691  1076.22  127.099   31.646   2.5670   32.798   1.9963 -1.151691 3.251870 
1 1 1  -12   20   31 o   12.086   3.0969  158.484   95.554  106.017  149.567  194.668  124.207   11.153   4.4934   13.019   4.2629 -1.865558 6.193754 
1 1 1  -12   20   32 o   27.548   1.9484  784.457  102.978  948.474  160.543  669.801  134.229   29.931   2.7631   25.164   2.7479 4.766973 3.896894 
1 1 1  -12   21    1 o   86.456   0.7342  7258.50  123.174  7355.88  172.802  7157.92  175.619   87.046   1.0227   85.866   1.0536 1.179939 1.468322 
1 1 1  -12   21    2 o  123.195   0.9460 14733.46  225.913 14682.27  311.012 14790.63  328.701  122.970   1.3029  123.420   1.3720 -0.4504471 1.892067 
1 1 1  -12   21    3 o  185.031   1.2030 33292.95  429.650 33663.22  579.470 32840.84  640.310  186.182   1.6034  183.880   1.7939 2.301392 2.405972 
1 1 1  -12   21    4 o   47.739   0.7325  2260.64   59.032  2312.39   68.721  2114.93  115.310   48.808   0.7253   46.671   1.2728 2.136189 1.464939 
1 1 1  -12   21    5 o   44.990   0.5178  1964.92   45.216  1989.88   63.947  1939.97   63.942   45.276   0.7276   44.705   0.7368 0.5713921 1.035523 
1 1 1  -12   21    6 f   98.143   0.8028  9349.49  152.702  9314.11  210.045  9389.16  222.390   97.947   1.1047   98.339   1.1650 -0.3922501 1.605507 
1 1 1  -12   21    7 o  188.436   1.2154 34513.67  441.663 34716.61  592.641 34260.17  662.370  189.067   1.6148  187.804   1.8169 1.262589 2.430761 
1 1 1  -12   21    8 o   50.300   0.7365  2493.44   62.712  2380.18  122.641  2533.54   72.974   49.511   1.2760   51.088   0.7358 -1.576649 1.473006 
1 1 1  -12   21    9 o   74.979   0.8671  5487.66  119.354  5368.33  204.292  5549.50  147.062   74.352   1.4154   75.606   1.0020 -1.253593 1.734223 
1 1 1  -12   21   10 o  102.789   1.0703 10325.75  205.851 10017.19  337.200 10509.05  259.901  101.548   1.7106  104.030   1.2870 -2.482330 2.140698 
1 1 1  -12   21   11 o  102.414   1.0821 10167.17  203.941 10255.15  349.991 10121.93  250.948  102.735   1.7550  102.092   1.2663 0.6431427 2.164117 
1 1 1  -12   21   12 o  118.341   1.1888 13626.43  261.089 13545.98  438.452 13670.62  324.992  118.050   1.9133  118.632   1.4113 -0.5820236 2.377501 
1 1 1  -12   21   13 o  109.483   1.2462 11633.58  263.448 11801.43  394.672 11498.68  353.812  110.187   1.8452  108.779   1.6756 1.408531 2.492441 
1 1 1  -12   21   14 o  161.128   1.3245 25286.89  397.053 25080.74  662.766 25402.31  495.892  160.575   2.1263  161.680   1.5800 -1.105011 2.649049 
1 1 1  -12   21   15 o   14.216   1.7817  237.888   26.245  157.569   86.517  246.029   27.543   12.514   3.4502   15.918   0.8914 -3.403773 3.563466 
1 1 1  -12   21   16 o   82.623   0.8995  6697.90  133.468  6457.98  237.389  6808.79  161.392   81.515   1.5002   83.731   0.9930 -2.216652 1.799069 
1 1 1  -12   21   17 o   19.436   1.4806  421.143   46.224  267.706   86.112  483.250   54.786   16.571   2.6771   22.302   1.2655 -5.731745 2.961113 
1 1 1  -12   21   18 o   64.224   0.9491  4021.83  117.481  3886.75  175.322  4131.91  158.270   63.237   1.4282   65.212   1.2503 -1.974537 1.898174 
1 1 1  -12   21   19 o   66.281   0.9771  4290.08  125.078  4009.57  182.400  4539.06  171.846   64.221   1.4631   68.342   1.2953 -4.121002 1.954145 
1 1 1  -12   21   20 o   26.786   1.4412  697.733   74.937   0.0000   0.0000  697.733   74.937  ?   ?    26.786   1.4412      ?      ? 
1 1 1  -12   21   21 o   35.277   1.2539  1209.76   85.867   0.0000   0.0000  1209.76   85.867  ?   ?    35.277   1.2539      ?      ? 
1 1 1  -12   21   22 f   43.492   1.2379  1839.09  104.509   0.0000   0.0000  1839.09  104.509  ?   ?    43.492   1.2379      ?      ? 
1 1 1  -12   21   23 o   76.683   1.4960  5724.08  222.681   0.0000   0.0000  5724.08  222.681  ?   ?    76.683   1.4960      ?      ? 
1 1 1  -12   21   24 o   55.527   1.3340  3002.06  143.791   0.0000   0.0000  3002.06  143.791  ?   ?    55.527   1.3340      ?      ? 
1 1 1  -12   21   25 o   40.481   1.4244  1597.96  111.931   0.0000   0.0000  1597.96  111.931  ?   ?    40.481   1.4244      ?      ? 
1 1 1  -12   21   26 o   24.127   1.7383  570.348   78.304  593.247  130.989  557.614   97.677   24.444   2.7606   23.809   2.1134 0.6346092 3.476673 
1 1 1  -12   21   27 o   30.314   1.4993  918.558   84.097  867.672  139.952  947.316  105.210   29.566   2.4385   31.061   1.7449 -1.495771 2.998515 
1 1 1  -12   21   28 o   26.613   1.6406  709.822   80.886  697.743  135.596  716.495  100.780   26.322   2.6538   26.904   1.9297 -0.5818977 3.281189 
1 1 1  -12   21   29 o   22.626   1.9775  493.473   84.494  672.119  139.427  389.788  106.220   25.689   2.7960   19.563   2.7971 6.126270 3.954903 
1 1 1  -12   21   30 o   30.933   1.6836  955.078   98.874  1048.09  159.997  897.610  125.761   32.017   2.5743   29.849   2.1704 2.167879 3.367180 
1 1 1  -12   21   31 o   11.830   3.0551  127.220   91.143  239.179  151.107   63.193  114.270   14.116   4.7057   9.5453   3.8974 4.570273 6.110140 
1 1 1  -12   21   32 o   16.296   3.0523  340.356  100.973  248.767  158.245  403.254  131.138   13.954   4.8134   18.638   3.7545 -4.683879 6.104546 
1 1 1  -12   22    1 o  118.549   0.8845 13637.53  203.453 13376.76  282.914 13916.82  292.793  117.376   1.2417  119.721   1.2599 -2.345306 1.768909 
1 1 1  -12   22    2 o  167.874   1.1381 27362.47  369.192 27296.94  498.668 27441.95  549.219  167.656   1.5322  168.091   1.6832 -0.4351044 2.276163 
1 1 1  -12   22    3 o  163.040   1.1170 25817.59  352.051 25840.00  476.692 25790.71  522.161  163.122   1.5054  162.957   1.6507 0.1644440 2.234074 
1 1 1  -12   22    4 o  144.872   1.0362 20397.18  290.670 20618.82  398.297 20144.63  425.156  145.717   1.4081  144.027   1.5207 1.691025 2.072489 
1 1 1  -12   22    5 o  143.968   1.0343 20130.17  288.181 20162.33  392.694 20092.63  424.228  144.095   1.4039  143.840   1.5193 0.2550812 2.068657 
1 1 1  -12   22    6 o   91.550   0.7867  8140.41  139.731  8251.60  195.257  8023.69  200.051   92.191   1.0911   90.908   1.1336 1.283066 1.573386 
1 1 1  -12   22    7 o  170.073   1.4767 28100.76  487.509 27878.21  685.371 28328.68  693.586  169.392   2.0843  170.754   2.0925 -1.362366 2.953470 
1 1 1  -12   22    8 o   84.807   0.9464  7014.79  148.406  6880.88  250.412  7087.28  184.249   84.174   1.5325   85.439   1.1109 -1.264862 1.892837 
1 1 1  -12   22    9 o   98.482   1.2149  9397.89  231.874  9032.92  317.061  9817.52  339.976   96.432   1.6938  100.531   1.7421 -4.098534 2.429795 
1 1 1  -12   22   10 o   27.992   5.0138  935.329   94.905  946.059   95.741  328.434  720.050   31.208   1.5804   24.777   9.9023 6.430840 10.02763 
1 1 1  -12   22   11 o  117.629   2.8120 13372.91  399.704 13334.48  423.182 13690.67  1216.94  117.133   1.8612  118.124   5.3072 -0.9910355 5.624060 
1 1 1  -12   22   12 o   41.428   0.7713  1784.27   45.280  1497.82  108.688  1844.43   49.809   39.267   1.4259   43.589   0.5887 -4.322670 1.542640 
1 1 1  -12   22   13 f  139.550   1.3740 18889.78  357.159 19090.57  597.363 18778.07  445.570  140.093   2.1966  139.008   1.6512 1.085205 2.748054 
1 1 1  -12   22   14 o  113.418   1.1534 12446.22  233.162 12641.32  425.890 12362.71  278.626  114.021   1.9242  112.815   1.2723 1.205940 2.306785 
1 1 1  -12   22   15 o   30.408   0.8138  877.631   39.802  934.874   86.153  862.097   44.879   31.018   1.4308   29.798   0.7759 1.220022 1.627652 
1 1 1  -12   22   16 o   33.449   0.7735  1098.06   37.470  1069.71   91.056  1103.84   41.112   33.178   1.4138   33.720   0.6281 -0.5416145 1.547048 
1 1 1  -12   22   17 o   62.245   0.9094  3805.41  107.697  3540.44  166.635  3995.49  141.135   60.357   1.4222   64.134   1.1337 -3.776825 1.818778 
1 1 1  -12   22   18 o  135.291   1.6758 17828.54  440.000 17316.63  615.484 18363.60  629.254  133.304   2.3785  137.278   2.3613 -3.974625 3.351619 
1 1 1  -12   22   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   22   20 o   8.6584   3.1784   58.601   70.023   0.0000   0.0000   58.601   70.023  ?   ?    8.6584   3.1784      ?      ? 
1 1 1  -12   22   21 o   18.300   2.1211  326.660   75.350   0.0000   0.0000  326.660   75.350  ?   ?    18.300   2.1211      ?      ? 
1 1 1  -12   22   22 o   33.853   1.3505  1114.64   88.745   0.0000   0.0000  1114.64   88.745  ?   ?    33.853   1.3505      ?      ? 
1 1 1  -12   22   23 o   87.921   1.6434  7530.95  280.475   0.0000   0.0000  7530.95  280.475  ?   ?    87.921   1.6434      ?      ? 
1 1 1  -12   22   24 o   32.849   1.5435  1052.19   98.424   0.0000   0.0000  1052.19   98.424  ?   ?    32.849   1.5435      ?      ? 
1 1 1  -12   22   25 o   32.487   1.5134  1030.10   95.441   0.0000   0.0000  1030.10   95.441  ?   ?    32.487   1.5134      ?      ? 
1 1 1  -12   22   26 o   24.213   1.7883  597.225   77.970  532.753  134.577  629.802   95.662   23.103   3.0008   25.323   1.9461 -2.219505 3.576603 
1 1 1  -12   22   27 o   46.907   1.1334  2140.97  100.620  2236.15  162.914  2082.26  127.938   47.692   1.7597   46.122   1.4290 1.570198 2.266838 
1 1 1  -12   22   28 o   16.508   2.6004  276.416   77.518  357.747  136.352  237.575   94.227   18.099   3.9885   14.916   3.3376 3.182664 5.200755 
1 1 1  -12   22   29 o   13.667   2.9810  204.502   84.728  206.603  142.633  203.357  105.324   13.725   4.5717   13.609   3.8269 0.1156588 5.962007 
1 1 1  -12   22   30 o   27.599   1.8963  798.294   97.126  726.473  157.948  841.965  123.164   26.324   3.0910   28.874   2.1974 -2.550171 3.792501 
1 1 1  -12   22   31 o   15.445   3.0775  280.823   95.025  321.803  148.975  252.713  123.383   16.260   4.5439   14.631   4.1518 1.629074 6.155044 
1 1 1  -12   23    1 o  133.366   0.9694 17267.02  250.930 17588.52  358.000 16956.52  351.819  134.586   1.3703  132.146   1.3715 2.440186 1.938764 
1 1 1  -12   23    2 o  135.267   0.9882 17768.05  258.627 17775.29  351.804 17759.53  381.505  135.300   1.3395  135.235   1.4533 0.6513977E-01 1.976418 
1 1 1  -12   23    3 o  138.649   1.0074 18669.70  270.170 18697.14  367.066 18637.26  399.097  138.763   1.3627  138.535   1.4841 0.2280884 2.014809 
1 1 1  -12   23    4 o   67.435   0.7875  4420.99   94.951  4430.33  113.983  4399.79  171.628   67.556   0.8692   67.315   1.3135 0.2410583 1.575005 
1 1 1  -12   23    5 o  139.911   1.0135 18999.30  274.274 18902.07  371.983 19115.14  406.011  139.521   1.3735  140.300   1.4908 -0.7786102 2.027029 
1 1 1  -12   23    6 o   73.484   0.6634  5243.18   94.601  5403.10  133.885  5083.74  133.686   74.604   0.9245   72.365   0.9517 2.238754 1.326805 
1 1 1  -12   23    7 o   86.678   0.7826  7289.44  131.592  7166.06  182.246  7423.84  190.207   85.913   1.0928   87.444   1.1206 -1.530914 1.565189 
1 1 1  -12   23    8 o  217.777   2.0456 46148.63  864.290 46487.28  1204.86 45789.65  1240.50  218.610   2.8392  216.945   2.9457 1.664825 4.091236 
1 1 1  -12   23    9 o   66.224   0.9658  4264.64  123.993  4414.73  173.066  4106.35  177.732   67.424   1.3223   65.024   1.4081 2.399918 1.931626 
1 1 1  -12   23   10 o  103.855   2.9222 10328.74  333.914 10285.16  349.382 10788.51  1134.77  102.883   1.7494  104.828   5.5765 -1.945747 5.844479 
1 1 1  -12   23   11 o  106.081   2.9633 11008.70  348.282 11010.34  365.098 10992.16  1160.98  106.439   1.7670  105.723   5.6571 0.7168427 5.926626 
1 1 1  -12   23   12 o  139.886   2.9467 19795.42  570.181 20091.95  620.833 18197.40  1441.23  143.723   2.2253  136.049   5.4572 7.674210 5.893490 
1 1 1  -12   23   13 o   72.872   0.8649  5226.73  112.801  4978.19  201.194  5340.67  136.226   71.581   1.4479   74.163   0.9463 -2.581741 1.729721 
1 1 1  -12   23   14 o   55.083   0.7498  2999.65   68.422  2844.48  137.922  3050.30   78.803   54.113   1.3130   56.053   0.7242 -1.940273 1.499514 
1 1 1  -12   23   15 o   40.068   0.7358  1598.97   42.813  1499.78  102.690  1619.84   47.102   39.288   1.3465   40.848   0.5940 -1.559990 1.471696 
1 1 1  -12   23   16 o  100.765   1.0843  9839.53  189.916  9936.36  361.385  9802.58  223.225  101.074   1.8419  100.456   1.1447 0.6179886 2.168637 
1 1 1  -12   23   17 o   20.288   1.3540  388.282   31.008  415.711  103.193  385.560   32.510   20.650   2.5743   19.926   0.8405 0.7237053 2.708064 
1 1 1  -12   23   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   23   19 o   62.620   0.9579  3838.76  115.444  3561.09  171.033  4071.15  156.464   60.517   1.4559   64.722   1.2454 -4.204704 1.915884 
1 1 1  -12   23   20 o   47.302   0.8457  2151.10   76.806  2328.07  119.423  2026.27  100.302   48.940   1.2571   45.664   1.1315 3.276035 1.691334 
1 1 1  -12   23   21 o   48.444   1.2032  2281.50  113.145   0.0000   0.0000  2281.50  113.145  ?   ?    48.444   1.2032      ?      ? 
1 1 1  -12   23   22 o   37.710   1.3652  1383.34   99.931   0.0000   0.0000  1383.34   99.931  ?   ?    37.710   1.3652      ?      ? 
1 1 1  -12   23   23 o   57.428   1.2968  3209.14  144.566   0.0000   0.0000  3209.14  144.566  ?   ?    57.428   1.2968      ?      ? 
1 1 1  -12   23   24 o   11.104   3.5950  119.800   88.446   0.0000   0.0000  119.800   88.446  ?   ?    11.104   3.5950      ?      ? 
1 1 1  -12   23   25 o   11.134   3.5076  123.323   84.638   0.0000   0.0000  123.323   84.638  ?   ?    11.134   3.5076      ?      ? 
1 1 1  -12   23   26 o   11.767   2.8592  122.940   74.663  168.016  133.074  102.231   90.198   13.054   4.4160   10.480   3.6329 2.573946 5.718304 
1 1 1  -12   23   27 o   24.963   1.9202  689.628   82.371  453.623  138.090  819.983  102.628   21.079   3.3748   28.846   1.8328 -7.767193 3.840365 
1 1 1  -12   23   28 o   20.683   2.1811  455.790   80.012  404.922  133.415  484.362   99.988   19.391   3.6790   21.976   2.3439 -2.585438 4.362241 
1 1 1  -12   23   29 o   25.688   1.9197  684.818   89.052  638.917  154.215  707.781  109.076   24.783   3.2056   26.593   2.1130 -1.809757 3.839326 
1 1 1  -12   23   30 o   16.373   2.9221  302.579   90.069  334.381  150.844  284.957  112.283   16.803   4.5240   15.942   3.6997 0.8613234 5.844179 
1 1 1  -12   23   31 o   12.300   3.1403  169.234   94.502  188.740  150.586  156.560  121.379   12.768   4.6649   11.832   4.2054 0.9357662 6.280696 
1 1 1  -12   24    1 o   53.397   0.6456  2783.29   65.700  2683.91  102.250  2853.17   85.742   52.579   1.0018   54.214   0.8147 -1.634834 1.291279 
1 1 1  -12   24    2 o   95.122   0.7686  8784.64  141.910  8691.91  200.479  8877.76  200.904   94.619   1.0915   95.626   1.0823 -1.006432 1.537127 
1 1 1  -12   24    3 o   43.181   0.5401  1806.73   45.156  1766.25   61.411  1854.37   66.627   42.656   0.7417   43.707   0.7853 -1.050732 1.080158 
1 1 1  -12   24    4 o  173.936   1.1603 29391.66  389.263 29462.97  522.113 29302.43  584.089  174.180   1.5442  173.692   1.7323 0.4879150 2.320679 
1 1 1  -12   24    5 o   68.325   0.6363  4533.54   84.303  4569.64  116.740  4494.19  121.869   68.609   0.8765   68.040   0.9227 0.5694504 1.272680 
1 1 1  -12   24    6 o  143.651   1.1052 19979.86  302.995 19712.99  392.787 20372.02  476.143  142.478   1.4202  144.824   1.6937 -2.346298 2.210313 
1 1 1  -12   24    7 o   91.525   0.8296  8132.06  147.362  8049.96  206.306  8217.57  210.562   91.054   1.1672   91.996   1.1791 -0.9427032 1.659105 
1 1 1  -12   24    8 o   47.114   0.9321  2154.62   85.223  2202.75  122.158  2108.97  118.954   47.626   1.3213   46.601   1.3150 1.024696 1.864143 
1 1 1  -12   24    9 o  101.069   1.2348  9922.31  242.180  9804.84  337.696 10046.70  347.503  100.454   1.7318  101.684   1.7605 -1.229553 2.469515 
1 1 1  -12   24   10 o  113.702   2.9694 12522.79  389.814 12494.88  410.344 12780.91  1248.04  113.382   1.8644  114.022   5.6386 -0.6401672 5.938882 
1 1 1  -12   24   11 o  115.991   2.9435 12987.84  396.903 12946.49  418.067 13365.54  1263.47  115.408   1.8661  116.575   5.5834 -1.166672 5.886964 
1 1 1  -12   24   12 o   62.914   4.0056  3950.84  163.733  3954.17  166.215  3841.76  950.949   63.801   1.3421   62.026   7.8980 1.775089 8.011212 
1 1 1  -12   24   13 o   41.040   5.8039  2158.81  123.187  2176.60  124.339  1211.26  907.343   47.334   1.3532   34.746   11.529 12.58818 11.60780 
1 1 1  -12   24   14 o   46.038   0.7744  2142.39   52.312  1931.56  122.561  2189.36   57.846   44.586   1.4161   47.489   0.6275 -2.902882 1.548874 
1 1 1  -12   24   15 o   32.985   0.8928  1100.05   34.393  1004.07  105.892  1111.37   36.365   32.135   1.6975   33.835   0.5537 -1.700043 1.785521 
1 1 1  -12   24   16 f   30.548   1.0033  933.201   44.202  867.922  106.675  946.733   48.568   29.871   1.8397   31.225   0.8013 -1.353985 2.006595 
1 1 1  -12   24   17 o   84.423   0.9666  6963.74  145.854  6830.82  262.777  7022.92  175.343   83.816   1.6151   85.030   1.0623 -1.214020 1.933140 
1 1 1  -12   24   18 o   93.327   1.2043  8478.53  218.018  8252.68  311.501  8695.39  305.243   92.103   1.7423   94.551   1.6631 -2.447922 2.408619 
1 1 1  -12   24   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   24   20 o   73.636   1.0417  5290.12  148.354  5038.40  215.984  5514.96  204.126   71.965   1.5461   75.308   1.3963 -3.342743 2.083310 
1 1 1  -12   24   21 o   47.143   1.2214  2160.65  111.772   0.0000   0.0000  2160.65  111.772  ?   ?    47.143   1.2214      ?      ? 
1 1 1  -12   24   22 o   52.678   1.3025  2699.25  133.195   0.0000   0.0000  2699.25  133.195  ?   ?    52.678   1.3025      ?      ? 
1 1 1  -12   24   23 f   30.913   1.5169  931.069   91.025   0.0000   0.0000  931.069   91.025  ?   ?    30.913   1.5169      ?      ? 
1 1 1  -12   24   24 o   33.749   1.4943  1110.92   97.899   0.0000   0.0000  1110.92   97.899  ?   ?    33.749   1.4943      ?      ? 
1 1 1  -12   24   25 o   25.553   1.8072  639.586   89.640   0.0000   0.0000  639.586   89.640  ?   ?    25.553   1.8072      ?      ? 
1 1 1  -12   24   26 o   35.034   1.2620  1188.97   80.649  1250.13  142.148  1159.94   97.938   35.626   2.0554   34.441   1.4649 1.185402 2.524051 
1 1 1  -12   24   27 o   25.038   1.6552  608.198   77.514  686.789  131.239  566.094   96.059   26.175   2.5829   23.900   2.0705 2.275064 3.310329 
1 1 1  -12   24   28 o   19.075   2.3044  369.103   79.387  423.496  137.498  341.903   97.231   19.803   3.7132   18.347   2.7300 1.456320 4.608769 
1 1 1  -12   24   29 o   15.965   2.8257  271.432   83.798  342.071  145.070  236.059  102.657   17.300   4.3300   14.629   3.6318 2.671100 5.651387 
1 1 1  -12   24   30 o   12.565   2.8819  181.522   86.356   80.895  141.118  241.761  109.186   10.548   4.3217   14.583   3.8137 -4.035167 5.763818 
1 1 1  -12   24   31 o   16.458   2.9945  317.848   94.436  374.521  152.023  282.237  120.507   17.472   4.4654   15.444   3.9909 2.027823 5.988939 
1 1 1  -12   25    1 o   56.821   0.5778  3125.10   63.591  3001.61   86.583  3269.72   93.702   55.606   0.8021   58.036   0.8317 -2.429977 1.155500 
1 1 1  -12   25    2 o   89.565   0.8650  7793.04  146.223  7770.73  236.070  7806.93  186.256   89.457   1.3594   89.673   1.0700 -0.2160339 1.730026 
1 1 1  -12   25    3 o  258.787   1.4399 65102.15  715.485 65298.42  945.588 64839.29  1094.33  259.264   1.8789  258.311   2.1824 0.9530029 2.879776 
1 1 1  -12   25    4 o   84.036   0.7254  6859.17  118.291  7010.29  166.177  6703.94  168.422   84.975   1.0074   83.097   1.0441 1.878288 1.450887 
1 1 1  -12   25    5 o   84.783   0.7213  6977.52  118.546  6957.52  163.314  6999.80  172.349   84.655   0.9938   84.910   1.0456 -0.2556076 1.442582 
1 1 1  -12   25    6 o   63.424   0.6133  3906.14   75.487  3965.98  106.068  3844.72  107.455   63.916   0.8549   62.931   0.8796 0.9851341 1.226608 
1 1 1  -12   25    7 f   31.098   1.1468  936.654   69.120  992.634  101.170  887.651   94.656   31.966   1.6304   30.229   1.6131 1.737352 2.293542 
1 1 1  -12   25    8 f   81.622   1.0662  6467.41  168.878  6674.77  242.262  6271.40  235.539   82.894   1.5056   80.350   1.5101 2.543961 2.132403 
1 1 1  -12   25    9 o   84.013   1.0656  6856.63  173.786  6920.86  246.334  6792.99  245.212   84.405   1.5035   83.621   1.5106 0.7837372 2.131298 
1 1 1  -12   25   10 o   76.960   3.5670  5928.14  220.835  5940.17  226.141  5680.66  1025.55   78.195   1.4898   75.725   6.9767 2.469246 7.134013 
1 1 1  -12   25   11 o  100.892   3.2758 10390.37  340.552 10469.49  355.145  9486.58  1200.33  103.787   1.7628   97.997   6.3099 5.790657 6.551520 
1 1 1  -12   25   12 o   24.139   5.3975  450.597   80.250  450.697   80.634  440.110  823.352   21.529   1.9294   26.748   10.621 -5.219128 10.79501 
1 1 1  -12   25   13 o   29.290   5.5183  905.794   98.552  910.639   99.213  545.920  855.114   30.609   1.6697   27.970   10.910 2.639244 11.03657 
1 1 1  -12   25   14 o   25.520   5.1438  777.553  102.311  791.356  102.946 -332.1355  923.044   28.525   1.8592   22.516   10.118 6.008928 10.28763 
1 1 1  -12   25   15 o   50.820   0.7554  2458.00   58.201  2589.94  136.028  2428.43   64.393   51.627   1.3573   50.013   0.6633 1.613987 1.510712 
1 1 1  -12   25   16 o   94.355   1.0477  8617.98  177.318  8746.48  320.164  8561.12  212.961   94.835   1.7392   93.876   1.1686 0.9590454 2.095335 
1 1 1  -12   25   17 o   58.203   0.8624  3299.89   95.130  3252.38  151.380  3330.90  122.295   57.849   1.3481   58.557   1.0759 -0.7081146 1.724746 
1 1 1  -12   25   18 o   39.009   0.9618  1441.54   65.576  1565.67  125.804  1395.23   76.842   40.121   1.6153   37.898   1.0445 2.223331 1.923608 
1 1 1  -12   25   19 o   27.533   1.1377  746.507   56.430  713.135   99.528  762.318   68.505   27.061   1.8947   28.005   1.2602 -0.9436836 2.275496 
1 1 1  -12   25   20 o   10.087   2.5251   86.186   57.223   82.635  109.974   87.504   67.008   10.562   3.9630   9.6129   3.1303 0.9487162 5.050141 
1 1 1  -12   25   21 o   19.063   1.9635  354.274   72.658   0.0000   0.0000  354.274   72.658  ?   ?    19.063   1.9635      ?      ? 
1 1 1  -12   25   22 o   23.675   1.7494  546.263   80.398   0.0000   0.0000  546.263   80.398  ?   ?    23.675   1.7494      ?      ? 
1 1 1  -12   25   23 o   11.070   3.3917  121.882   79.759   0.0000   0.0000  121.882   79.759  ?   ?    11.070   3.3917      ?      ? 
1 1 1  -12   25   24 o   33.305   1.4465  1081.85   93.520   0.0000   0.0000  1081.85   93.520  ?   ?    33.305   1.4465      ?      ? 
1 1 1  -12   25   25 o   32.715   1.4511  1045.37   92.151   0.0000   0.0000  1045.37   92.151  ?   ?    32.715   1.4511      ?      ? 
1 1 1  -12   25   26 o   11.973   2.4230  154.628   64.997   50.795  105.217  218.702   82.653   9.4351   3.7802   14.510   3.0321 -5.074924 4.845973 
1 1 1  -12   25   27 o   29.326   1.5197  852.450   81.697  862.331  141.089  847.465  100.206   29.339   2.4773   29.312   1.7611 0.2744675E-01 3.039471 
1 1 1  -12   25   28 o   28.017   1.6268  762.670   83.912  864.801  147.266  713.569  102.110   29.241   2.5945   26.793   1.9632 2.447241 3.253556 
1 1 1  -12   25   29 o   16.384   2.7123  312.110   85.167  230.720  142.034  357.803  106.421   14.190   4.5517   18.578   2.9510 -4.388127 5.424582 
1 1 1  -12   25   30 o   9.0037   2.7700  -5.0874   86.431   85.634  149.488 -50.6439  105.932   10.760   4.4330   7.2470   3.3229 3.513461 5.540093 
1 1 1  -12   25   31 o   11.201   2.8732  129.874   91.611 -14.1834  149.036  217.364  116.145   8.9493   4.0395   13.452   4.0870 -4.502454 5.746449 
1 1 1  -12   26    1 o   35.558   0.5751  1227.97   39.674  1274.03   56.053  1181.73   56.161   36.227   0.7971   34.890   0.8292 1.337086 1.150195 
1 1 1  -12   26    2 o  186.643   1.1534 33838.38  417.806 33959.35  586.403 33713.65  595.436  186.983   1.6156  186.302   1.6465 0.6803131 2.306717 
1 1 1  -12   26    3 o   37.953   0.5940  1400.31   43.447  1381.28   65.243  1415.47   58.239   37.720   0.8910   38.185   0.7857 -0.4649467 1.187966 
1 1 1  -12   26    4 o   93.302   0.7767  8442.99  140.415  8307.96  192.095  8597.93  205.764   92.503   1.0698   94.102   1.1264 -1.598724 1.553475 
1 1 1  -12   26    5 o   94.451   0.7904  8664.26  144.784  8714.10  200.686  8610.16  209.082   94.735   1.0913   94.167   1.1438 0.5684128 1.580887 
1 1 1  -12   26    6 o   66.639   0.8365  4327.58   97.745  4348.22  115.783  4276.36  182.356   66.924   0.8913   66.355   1.4157 0.5688400 1.672912 
1 1 1  -12   26    7 o   93.171   1.1813  8415.10  213.223  8152.61  290.775  8720.42  313.603   91.605   1.6352   94.737   1.7053 -3.132256 2.362605 
1 1 1  -12   26    8 o   40.618   1.0234  1605.54   80.490  1651.89  110.994  1554.14  116.896   41.239   1.3865   39.997   1.5056 1.241432 2.046763 
1 1 1  -12   26    9 o   41.525   0.9478  1664.22   75.883  1588.94  100.691  1763.17  115.446   40.447   1.2824   42.604   1.3959 -2.157070 1.895596 
1 1 1  -12   26   10 o  112.794   3.1463 12623.15  406.745 12664.36  428.407 12246.29  1295.52  114.135   1.9336  111.454   5.9881 2.681160 6.292517 
1 1 1  -12   26   11 o   16.702   5.1921  125.932   92.067  130.909   92.630 -280.3943  836.965   11.654   3.6691   21.751   9.7143 -10.09636 10.38414 
1 1 1  -12   26   12 o   52.053   5.1221  2889.42  133.330  2895.73  134.680  2579.24  944.170   54.600   1.2707   49.507   10.165 5.092369 10.24415 
1 1 1  -12   26   13 o   91.041   3.7636  9048.70  309.768  9178.03  320.470  7208.61  1208.77   97.165   1.6991   84.918   7.3329 12.24673 7.527205 
1 1 1  -12   26   14 o   16.043   5.4692   37.482   84.495   39.416   84.840 -199.1350  938.406   8.6326   3.4152   23.454   10.391 -14.82116 10.93830 
1 1 1  -12   26   15 o   82.658   0.9560  6643.17  142.290  6628.00  254.071  6650.11  171.751   82.571   1.5851   82.744   1.0693 -0.1735458 1.912063 
1 1 1  -12   26   16 o  140.633   1.5126 19422.83  392.139 18716.20  662.610 19803.72  486.477  138.576   2.4632  142.691   1.7563 -4.114990 3.025252 
1 1 1  -12   26   17 o   44.379   0.9031  1899.86   66.171  1940.76  136.609  1887.32   75.636   44.675   1.5753   44.084   0.8839 0.5910187 1.806294 
1 1 1  -12   26   18 o   21.409   1.3653  468.059   46.760  407.934   96.767  486.375   53.410   20.447   2.4380   22.371   1.2299 -1.923342 2.730651 
1 1 1  -12   26   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   26   20 o   19.555   1.5601  373.623   54.803  372.055   98.173  374.333   66.053   19.505   2.5929   19.605   1.7356 -0.1004639 3.120166 
1 1 1  -12   26   21 f   31.768   1.1187  985.088   67.604  969.204  106.378  995.849   87.559   31.542   1.7374   31.993   1.4099 -0.4506683 2.237462 
1 1 1  -12   26   22 o   81.281   1.5438  6434.97  243.587   0.0000   0.0000  6434.97  243.587  ?   ?    81.281   1.5438      ?      ? 
1 1 1  -12   26   23 o   20.237   2.3700  402.033   93.101   0.0000   0.0000  402.033   93.101  ?   ?    20.237   2.3700      ?      ? 
1 1 1  -12   26   24 o   52.393   1.3671  2676.84  139.035   0.0000   0.0000  2676.84  139.035  ?   ?    52.393   1.3671      ?      ? 
1 1 1  -12   26   25 o   13.700   3.1865  195.194   83.142   0.0000   0.0000  195.194   83.142  ?   ?    13.700   3.1865      ?      ? 
1 1 1  -12   26   26 o   27.615   1.7456  749.633   93.575   0.0000   0.0000  749.633   93.575  ?   ?    27.615   1.7456      ?      ? 
1 1 1  -12   26   27 o   48.594   1.1398  2286.12  103.771  2474.81  173.697  2181.40  129.403   50.046   1.7880   47.142   1.4141 2.903381 2.279558 
1 1 1  -12   26   28 o   17.324   2.4857  310.322   76.876  347.643  138.018  293.535   92.565   17.686   4.1000   16.962   2.8113 0.7243004 4.971314 
1 1 1  -12   26   29 o   24.234   1.8908  580.221   84.981  684.603  147.671  528.536  103.911   25.645   2.9664   22.824   2.3453 2.820724 3.781559 
1 1 1  -12   26   30 o   9.3950   2.8240   35.608   85.528   75.421  147.392   15.397  105.017   10.487   4.3679   8.3034   3.5808 2.183213 5.648076 
1 1 1  -12   26   31 o   12.053   3.1500  158.962   95.947  223.801  154.476  118.237  122.425   13.372   4.7452   10.734   4.1442 2.637679 6.300061 
1 1 1  -12   27    1 o   55.184   0.6673  2982.56   69.626  3078.14   89.678  2837.50  110.474   56.309   0.8204   54.059   1.0527 2.249828 1.334689 
1 1 1  -12   27    2 o  118.914   0.9063 13729.71  209.186 13547.95  293.411 13917.59  298.316  118.114   1.2797  119.714   1.2837 -1.600281 1.812609 
1 1 1  -12   27    3 o   78.371   0.6828  5962.36  103.869  6075.17  147.861  5852.45  145.944   79.103   0.9629   77.640   0.9684 1.463654 1.365631 
1 1 1  -12   27    4 o   50.516   0.6068  2475.12   58.558  2490.41   91.429  2464.49   76.249   50.647   0.9300   50.385   0.7796 0.2619553 1.213509 
1 1 1  -12   27    5 o  106.163   1.0968 10970.50  205.284 11001.09  243.945 10896.29  379.993  106.437   1.1807  105.890   1.8487 0.5468674 2.193527 
1 1 1  -12   27    6 o   67.874   0.8226  4396.34   97.804  4298.14  115.016  4652.79  185.863   66.536   0.8905   69.212   1.3834 -2.675705 1.645236 
1 1 1  -12   27    7 f   60.762   0.9441  3586.25  111.335  3595.77  156.019  3576.38  158.923   60.845   1.3210   60.680   1.3492 0.1652260 1.888195 
1 1 1  -12   27    8 o   48.934   0.9607  2331.94   91.000  2499.14  127.600  2158.89  129.816   50.725   1.2959   47.142   1.4186 3.582653 1.921364 
1 1 1  -12   27    9 o  172.384   2.8760 28851.23  756.756 28728.28  840.874 29375.20  1735.81  171.805   2.5213  172.963   5.1699 -1.158157 5.751984 
1 1 1  -12   27   10 o  109.363   3.0994 11626.70  375.416 11607.73  393.377 11820.27  1256.76  109.271   1.8546  109.456   5.9149 -0.1848755 6.198839 
1 1 1  -12   27   11 o  214.302   2.9594 45597.32  1065.14 46261.21  1234.64 43665.15  2106.27  217.864   2.9194  210.740   5.1488 7.124512 5.918824 
1 1 1  -12   27   12 o   55.939   5.4992  3727.51  162.684  3755.85  164.776  2632.92  1024.08   62.176   1.3652   49.702   10.913 12.47405 10.99831 
1 1 1  -12   27   13 o   89.562   3.5468  7424.97  267.720  7373.98  274.255  8456.83  1233.68   87.094   1.6222   92.031   6.9056 -4.936569 7.093616 
1 1 1  -12   27   14 o   82.700   1.5734  6648.31  252.582  6648.31  252.582   0.0000   0.0000   82.700   1.5734  ?   ?       ?      ? 
1 1 1  -12   27   15 o   52.309   1.4019  2659.15  142.347  2659.15  142.347   0.0000   0.0000   52.309   1.4019  ?   ?       ?      ? 
1 1 1  -12   27   16 f   27.575   1.1925  835.363   38.244  625.357  112.088  863.031   40.685   25.336   2.2791   29.814   0.7030 -4.477987 2.385036 
1 1 1  -12   27   17 o  124.939   1.3558 15228.33  308.131 15099.11  538.771 15291.14  375.626  124.480   2.2297  125.398   1.5431 -0.9181671 2.711577 
1 1 1  -12   27   18 o   32.662   0.9939  990.210   51.431  1120.10  115.238  957.903   57.472   33.923   1.7500   31.402   0.9428 2.520166 1.987837 
1 1 1  -12   27   19 o   79.679   1.0852  6197.91  167.056  5925.60  245.310  6433.42  228.131   78.030   1.6195   81.328   1.4450 -3.297203 2.170483 
1 1 1  -12   27   20 o   26.206   1.2865  640.506   55.540  723.600  117.715  616.712   62.991   27.229   2.2271   25.184   1.2885 2.045250 2.572973 
1 1 1  -12   27   21 o   40.299   0.9442  1550.02   70.547  1679.13  121.095  1483.69   86.797   41.533   1.5020   39.065   1.1446 2.468193 1.888401 
1 1 1  -12   27   22 o   26.221   1.5652  670.020   79.670   0.0000   0.0000  670.020   79.670  ?   ?    26.221   1.5652      ?      ? 
1 1 1  -12   27   23 o   24.764   1.7021  598.916   81.824   0.0000   0.0000  598.916   81.824  ?   ?    24.764   1.7021      ?      ? 
1 1 1  -12   27   24 o   12.443   3.3625  160.143   83.149   0.0000   0.0000  160.143   83.149  ?   ?    12.443   3.3625      ?      ? 
1 1 1  -12   27   25 o   35.148   1.3545  1206.47   92.414   0.0000   0.0000  1206.47   92.414  ?   ?    35.148   1.3545      ?      ? 
1 1 1  -12   27   26 o   32.408   1.4812  1029.75   93.183   0.0000   0.0000  1029.75   93.183  ?   ?    32.408   1.4812      ?      ? 
1 1 1  -12   27   27 o   53.087   1.0862  2779.61  108.889  2752.37  175.043  2796.81  139.074   52.785   1.7083   53.388   1.3419 -0.6029968 2.172349 
1 1 1  -12   27   28 o   25.382   1.7771  665.161   78.685  621.961  144.819  683.256   93.727   24.539   3.0402   26.226   1.8411 -1.686289 3.554205 
1 1 1  -12   27   29 o   10.239   2.7299   97.874   75.959   6.6820  141.235  134.986   90.099   9.2988   4.0790   11.180   3.6292 -1.881005 5.459826 
1 1 1  -12   27   30 o   10.369   2.6467   96.625   81.020 -71.5295  137.011  187.045  100.469   7.9782   3.7011   12.760   3.7843 -4.782086 5.293359 
1 1 1  -12   28    1 o  103.548   0.8338 10412.34  167.573 10420.29  238.913 10404.64  235.100  103.587   1.1882  103.510   1.1701 0.7693481E-01 1.667550 
1 1 1  -12   28    2 o   97.729   0.9017  9191.32  164.684  8972.95  205.467  9583.62  275.398   96.128   1.1011   99.329   1.4283 -3.201515 1.803456 
1 1 1  -12   28    3 o   68.823   0.6341  4594.93   84.618  4525.37  116.510  4672.58  123.098   68.272   0.8791   69.373   0.9141 -1.100716 1.268249 
1 1 1  -12   28    4 o   22.277   0.6445  481.878   27.860  499.174   39.504  464.763   39.297   22.675   0.8975   21.879   0.9253 0.7957153 1.289045 
1 1 1  -12   28    5 o   55.283   0.8498  2908.14   84.234  2816.60  100.553  3123.53  154.240   53.860   0.9618   56.707   1.4012 -2.846779 1.699510 
1 1 1  -12   28    6 o   59.106   0.8097  3422.74   81.891  3457.05   95.693  3328.87  158.283   59.672   0.8261   58.540   1.3929 1.132065 1.619440 
1 1 1  -12   28    7 f   65.394   0.9713  4153.85  123.279  4248.16  174.944  4060.81  173.747   66.132   1.3628   64.656   1.3843 1.475540 1.942557 
1 1 1  -12   28    8 o  128.486   1.4735 16048.49  367.384 15867.24  511.892 16241.02  527.581  127.740   2.0644  129.231   2.1031 -1.491234 2.946957 
1 1 1  -12   28    9 o   45.597   5.8052  2392.91  127.800  2403.05  128.943  1828.11  962.016   49.737   1.3355   41.456   11.533 8.281078 11.61049 
1 1 1  -12   28   10 o  101.923   3.3562 10572.43  351.372 10643.67  366.257  9749.08  1245.18  104.636   1.8032   99.209   6.4657 5.426765 6.712398 
1 1 1  -12   28   11 o   25.770   5.5384  628.527  103.266  633.858  103.924  211.678  918.935   25.527   2.0973   26.012   10.877 -0.4853096 11.07688 
1 1 1  -12   28   12 o   80.876   3.9102  6852.31  258.840  6895.89  265.642  6033.87  1151.23   84.225   1.6248   77.528   7.6497 6.697609 7.820308 
1 1 1  -12   28   13 o   51.326   1.3886  2559.88  138.351  2559.88  138.351   0.0000   0.0000   51.326   1.3886  ?   ?       ?      ? 
1 1 1  -12   28   14 o   96.218   1.7974  9004.20  335.720  9004.20  335.720   0.0000   0.0000   96.218   1.7974  ?   ?       ?      ? 
1 1 1  -12   28   15 o  119.051   2.1398 13799.68  494.496 13799.68  494.496   0.0000   0.0000  119.051   2.1398  ?   ?       ?      ? 
1 1 1  -12   28   16 o   78.499   0.9389  6001.15  131.123  5958.04  238.932  6019.72  156.853   78.276   1.5725   78.722   1.0264 -0.4462280 1.877812 
1 1 1  -12   28   17 o   20.941   1.1814  409.601   24.976  447.013   94.399  406.784   25.899   21.413   2.2711   20.468   0.6518 0.9441586 2.362780 
1 1 1  -12   28   18 o   69.151   0.9975  4662.50  131.216  4584.82  206.418  4715.17  169.979   68.654   1.5489   69.649   1.2572 -0.9953384 1.994908 
1 1 1  -12   28   19 o   17.945   1.7105  343.173   46.702  277.864   96.375  363.216   53.390   16.568   3.1109   19.323   1.4234 -2.755177 3.421094 
1 1 1  -12   28   20 o   38.676   0.9832  1430.45   63.998  1504.70  129.313  1406.36   73.651   39.308   1.6947   38.043   0.9973 1.264462 1.966398 
1 1 1  -12   28   21 o   80.578   1.1124  6327.17  172.582  6292.28  260.862  6354.33  230.149   80.363   1.6722   80.793   1.4675 -0.4308243 2.224807 
1 1 1  -12   28   22 o   59.782   1.2061  3478.16  139.960   0.0000   0.0000  3478.16  139.960  ?   ?    59.782   1.2061      ?      ? 
1 1 1  -12   28   23 o   36.295   1.2390  1283.11   87.290   0.0000   0.0000  1283.11   87.290  ?   ?    36.295   1.2390      ?      ? 
1 1 1  -12   28   24 o   47.859   1.1871  2232.39  110.282   0.0000   0.0000  2232.39  110.282  ?   ?    47.859   1.1871      ?      ? 
1 1 1  -12   28   25 o   6.5170   2.8845 -20.3492   72.128   0.0000   0.0000 -20.3492   72.128  ?   ?    6.5170   2.8845      ?      ? 
1 1 1  -12   28   26 o   46.011   1.2542  2071.04  112.024   0.0000   0.0000  2071.04  112.024  ?   ?    46.011   1.2542      ?      ? 
1 1 1  -12   28   27 o   13.480   2.6815  152.565   66.622  319.857  137.194  100.941   76.211   16.940   4.1943   10.020   3.3420 6.920505 5.362911 
1 1 1  -12   28   28 o   26.793   1.7086  773.213   74.306  636.384  146.626  820.497   86.194   24.764   3.0501   28.822   1.5406 -4.057722 3.417130 
1 1 1  -12   28   29 f   9.6769   2.7437   70.070   71.844   72.259  139.432   69.279   83.829   10.350   4.2744   9.0039   3.4411 1.345891 5.487372 
1 1 1  -12   28   30 o   13.958   2.9319  221.792   79.974  264.350  147.295  204.002   95.234   14.590   4.6305   13.327   3.5975 1.263313 5.863736 
1 1 1  -12   29    1 o  112.249   0.8780 12237.04  191.301 12230.48  269.276 12243.73  271.823  112.219   1.2361  112.279   1.2472 -0.6010437E-01 1.755976 
1 1 1  -12   29    2 o   43.793   0.5543  1860.48   47.011  1841.86   64.154  1882.08   69.086   43.557   0.7588   44.029   0.8083 -0.4722443 1.108644 
1 1 1  -12   29    3 o  104.417   0.9424 10533.77  184.525 10376.77  231.792 10805.45  304.905  103.369   1.1552  105.464   1.4893 -2.094101 1.884820 
1 1 1  -12   29    4 o   88.720   0.9689  7677.27  151.740  7721.92  180.602  7570.09  279.810   89.175   1.0433   88.265   1.6331 0.9104080 1.937900 
1 1 1  -12   29    5 o  108.638   1.1250 11597.23  219.976 11822.80  266.708 11117.32  389.025  110.331   1.2453  106.945   1.8739 3.386986 2.249973 
1 1 1  -12   29    6 o  103.590   1.2739 10414.79  255.878 10123.90  352.066 10740.49  372.533  102.061   1.7770  105.119   1.8256 -3.058075 2.547722 
1 1 1  -12   29    7 o   19.770   1.8419  375.837   70.249  335.420   93.423  428.423  106.563   18.562   2.5928   20.978   2.6169 -2.415531 3.683821 
1 1 1  -12   29    8 o   57.762   0.9769  3242.34  109.485  3284.40  153.162  3198.40  156.564   58.146   1.3570   57.378   1.4057 0.7681656 1.953767 
1 1 1  -12   29    9 o  137.735   3.2171 18269.13  540.452 18175.37  572.730 19031.39  1632.95  136.687   2.1585  138.783   6.0614 -2.095673 6.434252 
1 1 1  -12   29   10 o   78.597   4.3053  6108.96  227.517  6109.19  231.186  6101.70  1282.16   79.292   1.5020   77.902   8.4787 1.389977 8.610668 
1 1 1  -12   29   11 o   76.681   4.2115  6326.00  241.508  6372.93  246.892  5284.81  1162.82   80.974   1.5707   72.388   8.2752 8.585815 8.422967 
1 1 1  -12   29   12 o  114.946   2.0609 12857.07  459.839 12857.07  459.839   0.0000   0.0000  114.946   2.0609  ?   ?       ?      ? 
1 1 1  -12   29   13 f  106.297   1.9443 10992.82  401.184 10992.82  401.184   0.0000   0.0000  106.297   1.9443  ?   ?       ?      ? 
1 1 1  -12   29   14 o   39.246   1.6244  1497.60  123.753  1497.60  123.753   0.0000   0.0000   39.246   1.6244  ?   ?       ?      ? 
1 1 1  -12   29   15 o  102.699   1.8860 10263.16  375.978 10263.16  375.978   0.0000   0.0000  102.699   1.8860  ?   ?       ?      ? 
1 1 1  -12   29   16 o   85.441   1.6206  7100.31  268.782  7100.31  268.782   0.0000   0.0000   85.441   1.6206  ?   ?       ?      ? 
1 1 1  -12   29   17 o   31.690   0.9957  998.522   31.993  950.884  116.369  1002.42   33.275   31.246   1.9185   32.133   0.5335 -0.8863659 1.991336 
1 1 1  -12   29   18 o   80.574   1.0775  6333.48  168.008  6018.44  243.459  6619.92  232.145   78.647   1.5947   82.501   1.4496 -3.854370 2.155061 
1 1 1  -12   29   19 o   48.182   0.9334  2244.01   78.438  2288.69  148.777  2226.81   92.309   48.492   1.5805   47.872   0.9933 0.6197968 1.866747 
1 1 1  -12   29   20 o   35.663   0.9553  1214.52   58.943  1287.41  114.313  1188.13   68.793   36.360   1.6196   34.965   1.0135 1.395321 1.910577 
1 1 1  -12   29   21 o   56.608   0.9460  3080.39   99.941  3256.06  168.115  2984.38  124.287   57.821   1.4978   55.395   1.1558 2.426571 1.891915 
1 1 1  -12   29   22 o   70.924   1.3451  4900.38  185.186   0.0000   0.0000  4900.38  185.186  ?   ?    70.924   1.3451      ?      ? 
1 1 1  -12   29   23 o   52.321   1.1680  2666.12  118.632   0.0000   0.0000  2666.12  118.632  ?   ?    52.321   1.1680      ?      ? 
1 1 1  -12   29   24 o   37.418   1.1892  1364.98   86.380   0.0000   0.0000  1364.98   86.380  ?   ?    37.418   1.1892      ?      ? 
1 1 1  -12   29   25 o   25.537   1.6220  639.687   80.408   0.0000   0.0000  639.687   80.408  ?   ?    25.537   1.6220      ?      ? 
1 1 1  -12   29   26 o   21.815   1.7816  469.885   75.445   0.0000   0.0000  469.885   75.445  ?   ?    21.815   1.7816      ?      ? 
1 1 1  -12   29   27 f   15.767   2.5034  207.336   67.923  439.229  141.616  138.054   77.407   20.144   3.7599   11.391   3.3062 8.753066 5.006765 
1 1 1  -12   29   28 o   16.788   2.4847  296.944   69.998  322.656  141.041  288.541   80.629   16.735   4.3142   16.841   2.4663 -0.1064548 4.969437 
1 1 1  -12   29   29 o   8.4051   2.4786   18.767   74.425 -182.5843  146.838   88.377   86.337   7.2129   3.4822   9.5974   3.5283 -2.384404 4.957281 
1 1 1  -12   29   30 o   10.328   2.8902   97.361   79.839  105.971  151.172   94.030   94.021   10.908   4.4715   9.7490   3.6631 1.158665 5.780368 
1 1 1  -12   30    1 o  151.153   1.0540 22197.79  309.242 22482.00  437.013 21912.74  437.657  152.123   1.4799  150.182   1.5012 1.940323 2.108041 
1 1 1  -12   30    2 o  137.227   0.9936 18291.74  264.630 18217.13  370.847 18369.14  377.735  136.943   1.3950  137.512   1.4151 -0.5684814 1.987115 
1 1 1  -12   30    3 o   78.577   0.8821  6021.77  123.374  6059.96  147.753  5933.81  224.217   79.001   0.9635   78.153   1.4779 0.8478546 1.764263 
1 1 1  -12   30    4 o   84.252   1.9919  6960.04  158.671  6966.86  164.003  6860.18  627.400   84.705   0.9974   83.800   3.8569 0.9046173 3.983762 
1 1 1  -12   30    5 f   89.075   0.9965  7696.13  154.847  7681.17  182.497  7734.60  292.603   88.938   1.0571   89.212   1.6896 -0.2741547 1.993042 
1 1 1  -12   30    6 f   72.090   0.8799  5025.31  113.192  4991.08  135.378  5104.84  206.350   71.694   0.9727   72.486   1.4665 -0.7921600 1.759792 
1 1 1  -12   30    7 o  143.866   3.0138 20305.57  610.795 20205.09  1540.63 20324.31  665.316  143.221   5.5415  144.511   2.3717 -1.289261 6.027694 
1 1 1  -12   30    8 o   55.069   0.9943  2951.31  106.027  3033.19  146.213  2860.51  153.979   55.878   1.3480   54.260   1.4619 1.618069 1.988522 
1 1 1  -12   30    9 o  131.031   3.7364 17129.62  534.975 17180.50  560.511 16609.06  1792.80  132.889   2.1729  129.173   7.1499 3.716049 7.472733 
1 1 1  -12   30   10 o   63.848   4.8903  2860.21  136.723  2833.80  137.393  5549.47  1386.42   54.008   1.3105   73.689   9.6923 -19.68115 9.780525 
1 1 1  -12   30   11 o   87.796   1.6372  7493.67  279.027  7493.67  279.027   0.0000   0.0000   87.796   1.6372  ?   ?       ?      ? 
1 1 1  -12   30   12 o   30.886   1.7448  927.655  104.609  927.655  104.609   0.0000   0.0000   30.886   1.7448  ?   ?       ?      ? 
1 1 1  -12   30   13 o  155.596   2.7166 23611.03  820.524 23611.03  820.524   0.0000   0.0000  155.596   2.7166  ?   ?       ?      ? 
1 1 1  -12   30   14 o   8.1283   3.4017   10.925   89.997   10.925   89.997   0.0000   0.0000   8.1283   3.4017  ?   ?       ?      ? 
1 1 1  -12   30   15 o   63.651   1.3869  3938.05  171.366  3938.05  171.366   0.0000   0.0000   63.651   1.3869  ?   ?       ?      ? 
1 1 1  -12   30   16 o   10.880   3.9304   97.283  106.462   97.283  106.462   0.0000   0.0000   10.880   3.9304  ?   ?       ?      ? 
1 1 1  -12   30   17 o   69.975   0.8828  4727.90  105.473  4825.31  206.988  4693.73  122.581   70.435   1.5139   69.515   0.9084 0.9201431 1.765520 
1 1 1  -12   30   18 o   76.155   0.9205  5735.61  123.295  5410.92  226.079  5873.05  147.094   74.564   1.5620   77.747   0.9746 -3.183472 1.841099 
1 1 1  -12   30   19 o   26.620   1.3063  750.474   48.708  605.444  117.156  780.782   53.557   24.892   2.4246   28.347   0.9733 -3.455084 2.612620 
1 1 1  -12   30   20 o   38.724   1.0348  1435.97   64.635  1502.23  138.688  1417.59   73.053   39.255   1.8200   38.192   0.9854 1.062923 2.069635 
1 1 1  -12   30   21 o   50.105   0.9178  2472.52   85.801  2336.18  140.418  2553.76  108.389   48.968   1.4772   51.242   1.0897 -2.273613 1.835626 
1 1 1  -12   30   22 o   14.848   1.9531  232.809   51.221  189.468   87.466  255.430   63.190   13.545   3.3461   16.151   2.0155 -2.606139 3.906270 
1 1 1  -12   30   23 o   17.568   1.9275  302.620   65.733   0.0000   0.0000  302.620   65.733  ?   ?    17.568   1.9275      ?      ? 
1 1 1  -12   30   24 o   29.698   1.2750  860.683   73.503   0.0000   0.0000  860.683   73.503  ?   ?    29.698   1.2750      ?      ? 
1 1 1  -12   30   25 o   15.708   2.3854  245.695   72.735   0.0000   0.0000  245.695   72.735  ?   ?    15.708   2.3854      ?      ? 
1 1 1  -12   30   26 o   45.121   1.2145  1993.40  106.380   0.0000   0.0000  1993.40  106.380  ?   ?    45.121   1.2145      ?      ? 
1 1 1  -12   30   27 o   15.248   2.5120  253.587   64.091  234.629  137.239  258.875   72.481   14.453   4.4524   16.042   2.3275 -1.589293 5.024045 
1 1 1  -12   30   28 o   37.687   1.2967  1447.60   83.179  1351.51  159.482  1483.51   97.488   36.550   2.2478   38.824   1.2936 -2.274460 2.593455 
1 1 1  -12   30   29 o   32.610   1.5481  1138.75   83.780  961.449  161.249  1204.31   98.054   30.359   2.7362   34.862   1.4490 -4.502199 3.096123 
1 1 1  -12   30   30 o   18.534   2.3995  325.190   77.812  559.036  153.264  243.982   90.317   22.357   3.5314   14.710   3.2496 7.647280 4.799059 
1 1 1  -12   31    1 o   56.543   0.9103  3105.23   99.904  3052.95  140.579  3158.57  142.003   56.063   1.2918   57.024   1.2828 -0.9618111 1.820530 
1 1 1  -12   31    2 o   32.870   1.1639  1041.60   73.879  971.440   98.561  1131.58  111.614   31.618   1.6059   34.122   1.6851 -2.504646 2.327707 
1 1 1  -12   31    3 o   56.996   0.7674  3142.25   75.694  3127.31   88.702  3182.27  145.193   56.755   0.8051   57.237   1.3068 -0.4823189 1.534894 
1 1 1  -12   31    4 o   19.720   1.0660  357.089   32.764  344.038   36.372  413.250   75.452   18.823   0.9954   20.617   1.8853 -1.794104 2.131973 
1 1 1  -12   31    5 o  105.921   3.4565 11434.07  261.733 11467.41  266.709 10565.68  1361.33  108.654   1.2645  103.187   6.7963 5.467064 6.912937 
1 1 1  -12   31    6 o   92.974   1.0431  8404.92  175.795  8415.96  213.439  8381.65  309.974   93.086   1.1812   92.861   1.7196 0.2254715 2.086210 
1 1 1  -12   31    7 o  154.362   1.8232 23210.87  544.322 23097.17  803.736 23307.21  739.807  153.991   2.6888  154.733   2.4630 -0.7424927 3.646369 
1 1 1  -12   31    8 o   27.850   5.4608  934.374  101.717 -169.5323  996.776  945.990  102.251   24.503   10.790   31.197   1.6885 -6.693827 10.92155 
1 1 1  -12   31    9 o   72.709   5.5357  5344.84  216.750  5346.54  218.997  5263.56  1516.72   74.171   1.5210   71.248   10.966 2.923065 11.07146 
1 1 1  -12   31   10 o  114.342   2.0491 12721.91  454.816 12721.91  454.816   0.0000   0.0000  114.342   2.0491  ?   ?       ?      ? 
1 1 1  -12   31   11 o   60.452   1.3465  3550.93  158.008  3550.93  158.008   0.0000   0.0000   60.452   1.3465  ?   ?       ?      ? 
1 1 1  -12   31   12 o   28.070   1.7026  766.175   92.775  766.175   92.775   0.0000   0.0000   28.070   1.7026  ?   ?       ?      ? 
1 1 1  -12   31   13 o   61.361   1.3204  3658.86  157.281  3658.86  157.281   0.0000   0.0000   61.361   1.3204  ?   ?       ?      ? 
1 1 1  -12   31   14 o   68.890   1.4366  4613.27  192.114  4613.27  192.114   0.0000   0.0000   68.890   1.4366  ?   ?       ?      ? 
1 1 1  -12   31   15 o   88.780   1.7052  7668.26  293.870  7668.26  293.870   0.0000   0.0000   88.780   1.7052  ?   ?       ?      ? 
1 1 1  -12   31   16 o   84.547   1.6734  6956.19  274.643  6956.19  274.643   0.0000   0.0000   84.547   1.6734  ?   ?       ?      ? 
1 1 1  -12   31   17 o   40.258   1.4525  1576.35  113.513  1576.35  113.513   0.0000   0.0000   40.258   1.4525  ?   ?       ?      ? 
1 1 1  -12   31   18 o   44.168   0.9092  1904.88   50.388  1886.47  145.923  1907.37   53.690   44.015   1.7079   44.321   0.6241 -0.3055420 1.818329 
1 1 1  -12   31   19 o   70.587   0.9917  4852.97  134.184  4813.81  206.292  4881.70  176.664   70.326   1.5111   70.848   1.2846 -0.5216599 1.983327 
1 1 1  -12   31   20 o   8.2440   2.2696   47.582   47.093 -32.3821  112.194   64.684   51.885   8.1637   3.6062   8.3242   2.7566 -0.1605091 4.539128 
1 1 1  -12   31   21 o   86.445   1.1708  7305.71  195.395  7150.80  290.186  7434.21  264.287   85.579   1.7468   87.311   1.5593 -1.732048 2.341556 
1 1 1  -12   31   22 o   11.978   2.5362  125.011   53.577  187.181  121.120  109.887   59.740   13.575   4.1829   10.380   2.8691 3.194509 5.072305 
1 1 1  -12   31   23 o   65.181   1.2731  4143.74  161.080   0.0000   0.0000  4143.74  161.080  ?   ?    65.181   1.2731      ?      ? 
1 1 1  -12   31   24 o   29.809   1.2714  867.533   73.570   0.0000   0.0000  867.533   73.570  ?   ?    29.809   1.2714      ?      ? 
1 1 1  -12   31   25 o   42.708   1.1651  1782.36   96.594   0.0000   0.0000  1782.36   96.594  ?   ?    42.708   1.1651      ?      ? 
1 1 1  -12   31   26 o   9.7515   3.1780   96.334   69.060   0.0000   0.0000   96.334   69.060  ?   ?    9.7515   3.1780      ?      ? 
1 1 1  -12   31   27 f   44.067   1.0537  1931.00   86.501  1856.24  142.551  1974.57  108.827   43.282   1.6967   44.851   1.2500 -1.568493 2.107380 
1 1 1  -12   31   28 o   9.9654   2.7909   66.425   66.706  131.326  149.282   50.233   74.564   11.725   4.5624   8.2062   3.2158 3.518337 5.581782 
1 1 1  -12   31   29 o   31.679   1.4811  976.901   79.882  1111.54  160.462  932.538   92.107   32.749   2.5241   30.608   1.5502 2.141407 2.962135 
1 1 1  -12   32    1 o  134.223   1.2352 17531.39  310.402 17585.38  390.742 17439.04  511.029  134.530   1.4963  133.916   1.9658 0.6142578 2.470486 
1 1 1  -12   32    2 o   35.669   0.8386  1194.88   50.700  1154.45   58.331  1319.79  102.533   34.482   0.8714   36.857   1.4331 -2.374931 1.677272 
1 1 1  -12   32    3 o   22.333   1.2536  511.638   39.204  524.483   42.907  446.689   96.479   23.241   0.9511   21.425   2.3198 1.816267 2.507206 
1 1 1  -12   32    4 o   13.986   1.9600  184.719   34.338  181.891   36.448  207.046  102.408   13.683   1.3722   14.290   3.6720 -0.6064434 3.920047 
1 1 1  -12   32    5 o   74.119   0.8793  5283.17  112.731  5220.80  131.843  5452.74  217.391   73.326   0.9263   74.912   1.4949 -1.585861 1.758637 
1 1 1  -12   32    6 o  175.540   1.7020 29951.19  579.959 29951.19  579.959   0.0000   0.0000  175.540   1.7020  ?   ?       ?      ? 
1 1 1  -12   32    7 o   91.041   1.1857  8059.14  209.473  8256.84  295.296  7858.90  297.192   92.167   1.6505   89.914   1.7027 2.252594 2.371374 
1 1 1  -12   32    8 o  116.161   1.4409 13113.12  324.503 13413.14  473.024 12846.41  446.001  117.410   2.0755  114.913   1.9994 2.496826 2.881872 
1 1 1  -12   32    9 o   41.853   1.5763  1702.72  128.066  1702.72  128.066   0.0000   0.0000   41.853   1.5763  ?   ?       ?      ? 
1 1 1  -12   32   10 o   54.868   1.4126  2925.50  150.453  2925.50  150.453   0.0000   0.0000   54.868   1.4126  ?   ?       ?      ? 
1 1 1  -12   32   11 o   65.720   1.4329  4197.57  182.800  4197.57  182.800   0.0000   0.0000   65.720   1.4329  ?   ?       ?      ? 
1 1 1  -12   32   12 o   55.590   1.3797  3003.27  148.884  3003.27  148.884   0.0000   0.0000   55.590   1.3797  ?   ?       ?      ? 
1 1 1  -12   32   13 o  103.844   1.9068 10493.96  384.368 10493.96  384.368   0.0000   0.0000  103.844   1.9068  ?   ?       ?      ? 
1 1 1  -12   32   14 o   37.953   1.6739  1401.15  123.321  1401.15  123.321   0.0000   0.0000   37.953   1.6739  ?   ?       ?      ? 
1 1 1  -12   32   15 o   58.082   1.4773  3280.74  166.561  3280.74  166.561   0.0000   0.0000   58.082   1.4773  ?   ?       ?      ? 
1 1 1  -12   32   16 o   42.844   1.5063  1785.33  125.274  1785.33  125.274   0.0000   0.0000   42.844   1.5063  ?   ?       ?      ? 
1 1 1  -12   32   17 o   45.574   1.5917  2021.66  140.813  2021.66  140.813   0.0000   0.0000   45.574   1.5917  ?   ?       ?      ? 
1 1 1  -12   32   18 o   26.323   1.1204  711.057   26.743  633.940  107.794  716.114   27.606   25.488   2.1787   27.159   0.5236 -1.670574 2.240726 
1 1 1  -12   32   19 o   51.840   0.9485  2620.22   86.309  2601.15  160.891  2627.93  102.269   51.682   1.6037   51.999   1.0132 -0.3177681 1.896960 
1 1 1  -12   32   20 o   60.095   0.9183  3497.04  104.068  3589.82  169.543  3440.95  131.824   60.712   1.4386   59.477   1.1418 1.234440 1.836629 
1 1 1  -12   32   21 o   24.681   1.3202  615.525   52.676  559.307  108.546  632.843   60.245   23.867   2.3429   25.495   1.2173 -1.627987 2.640300 
1 1 1  -12   32   22 o   56.583   0.9718  3167.29  102.557  2954.92  167.323  3295.09  129.797   55.000   1.5672   58.166   1.1496 -3.165409 1.943604 
1 1 1  -12   32   23 o   12.986   2.1621  213.515   50.904   60.091  111.704  253.727   57.187   9.8906   3.9169   16.082   1.8319 -6.191364 4.324131 
1 1 1  -12   32   24 o   60.957   1.2215  3628.65  144.543   0.0000   0.0000  3628.65  144.543  ?   ?    60.957   1.2215      ?      ? 
1 1 1  -12   32   25 o   25.850   1.4560  656.069   73.062   0.0000   0.0000  656.069   73.062  ?   ?    25.850   1.4560      ?      ? 
1 1 1  -12   32   26 o   20.393   1.7238  411.161   68.236   0.0000   0.0000  411.161   68.236  ?   ?    20.393   1.7238      ?      ? 
1 1 1  -12   32   27 o   11.859   2.6726  139.894   63.307  188.622  122.593  122.174   73.927   13.021   4.2337   10.697   3.2631 2.324494 5.345267 
1 1 1  -12   32   28 o   8.8230   2.6485   37.552   66.110   24.018  151.003   40.762   73.531   9.7622   4.2516   7.8837   3.1596 1.878518 5.297072 
1 1 1  -12   32   29 o   17.436   2.4615  338.781   70.943  343.279  142.274  337.293   81.843   16.783   4.3362   18.088   2.3309 -1.305677 4.922953 
1 1 1  -12   33    1 o  156.992   1.3079 24017.95  380.570 24149.43  473.253 23777.30  640.245  157.642   1.5465  156.342   2.1096 1.300720 2.615769 
1 1 1  -12   33    2 o  146.742   1.2572 21032.37  340.991 21262.85  423.255 20606.11  575.607  147.930   1.4739  145.555   2.0372 2.374802 2.514495 
1 1 1  -12   33    3 o   12.994   2.0105  215.600   38.889  240.168   42.303   81.556   98.813   15.723   1.3860   10.264   3.7745 5.458479 4.020925 
1 1 1  -12   33    4 o   52.385   0.7213  2613.92   65.501  2554.14   76.511  2777.97  126.742   51.291   0.7685   53.479   1.2209 -2.187855 1.442597 
1 1 1  -12   33    5 o  122.257   1.1479 14586.90  258.031 14714.70  318.251 14341.72  440.815  123.070   1.3321  121.444   1.8699 1.625854 2.295887 
1 1 1  -12   33    6 o   76.714   0.8844  5719.67  108.611  5721.65  122.774  5712.56  232.928   76.764   0.8239   76.665   1.5652 0.9970856E-01 1.768787 
1 1 1  -12   33    7 o   55.472   1.3835  2990.02  148.971  2990.02  148.971   0.0000   0.0000   55.472   1.3835  ?   ?       ?      ? 
1 1 1  -12   33    8 o   42.534   1.0553  1747.56   85.746  1700.14  111.063  1817.53  134.911   41.829   1.3678   43.240   1.6073 -1.410576 2.110542 
1 1 1  -12   33    9 o   80.680   1.5854  6327.56  248.294  6327.56  248.294   0.0000   0.0000   80.680   1.5854  ?   ?       ?      ? 
1 1 1  -12   33   10 f   17.323   3.2736  302.788  106.050  302.788  106.050   0.0000   0.0000   17.323   3.2736  ?   ?       ?      ? 
1 1 1  -12   33   11 o   98.871   1.8408  9509.56  353.290  9509.56  353.290   0.0000   0.0000   98.871   1.8408  ?   ?       ?      ? 
1 1 1  -12   33   12 o   33.058   1.8252  1063.24  117.126  1063.24  117.126   0.0000   0.0000   33.058   1.8252  ?   ?       ?      ? 
1 1 1  -12   33   13 o   65.832   1.5212  4213.88  194.398  4213.88  194.398   0.0000   0.0000   65.832   1.5212  ?   ?       ?      ? 
1 1 1  -12   33   14 o   82.925   1.6494  6689.89  265.501  6689.89  265.501   0.0000   0.0000   82.925   1.6494  ?   ?       ?      ? 
1 1 1  -12   33   15 o   16.804   3.0961  285.070   97.269  285.070   97.269   0.0000   0.0000   16.804   3.0961  ?   ?       ?      ? 
1 1 1  -12   33   16 o   50.098   1.4948  2441.61  145.368  2441.61  145.368   0.0000   0.0000   50.098   1.4948  ?   ?       ?      ? 
1 1 1  -12   33   17 o   18.628   3.3506  351.078  116.708  351.078  116.708   0.0000   0.0000   18.628   3.3506  ?   ?       ?      ? 
1 1 1  -12   33   18 o   15.582   1.8325  250.168   17.017  233.673  104.833  250.614   17.246   15.098   3.6231   16.066   0.5530 -0.9674721 3.665047 
1 1 1  -12   33   19 o   18.480   1.9216  401.688   38.200  270.404  114.231  418.218   40.533   16.218   3.7090   20.743   1.0067 -4.524612 3.843188 
1 1 1  -12   33   20 o   33.111   1.1609  1112.62   56.227  1004.42  132.106  1136.55   62.136   32.032   2.1246   34.191   0.9362 -2.159546 2.321725 
1 1 1  -12   33   21 o   25.310   1.3675  596.805   50.421  674.068  125.831  582.027   55.032   26.169   2.4770   24.450   1.1595 1.718855 2.734988 
1 1 1  -12   33   22 o   54.226   0.9432  2887.97   94.630  2803.48  158.915  2934.39  117.791   53.564   1.5284   54.888   1.1055 -1.324100 1.886303 
1 1 1  -12   33   23 o   22.529   1.3209  506.267   51.760  480.911   96.674  516.456   61.284   22.066   2.2570   22.993   1.3731 -0.9267769 2.641842 
1 1 1  -12   33   24 o   25.156   1.3375  619.346   65.311   0.0000   0.0000  619.346   65.311  ?   ?    25.156   1.3375      ?      ? 
1 1 1  -12   33   25 o   18.229   1.9034  329.559   67.353   0.0000   0.0000  329.559   67.353  ?   ?    18.229   1.9034      ?      ? 
1 1 1  -12   33   26 o   28.641   1.3851  806.446   77.009   0.0000   0.0000  806.446   77.009  ?   ?    28.641   1.3851      ?      ? 
1 1 1  -12   33   27 o   16.804   2.2861  285.980   74.570   0.0000   0.0000  285.980   74.570  ?   ?    16.804   2.2861      ?      ? 
1 1 1  -12   33   28 f   18.778   2.5330  428.715   73.501  319.591  153.666  461.087   83.696   16.184   4.6470   21.372   2.0174 -5.188816 5.066019 
1 1 1  -12   33   29 o   27.290   1.8935  848.179   79.499  666.919  164.235  903.648   90.853   24.505   3.4526   30.075   1.5562 -5.570192 3.787098 
1 1 1  -12   34    1 o   84.219   0.9453  6979.14  145.197  7156.62  178.429  6631.22  249.820   85.840   1.0708   82.598   1.5581 3.241882 1.890562 
1 1 1  -12   34    2 o   64.889   0.8376  4052.21   94.990  4004.14  111.817  4176.84  180.053   64.215   0.8970   65.562   1.4147 -1.347450 1.675163 
1 1 1  -12   34    3 o   39.110   0.8497  1472.23   55.657  1459.15   64.014  1512.76  112.665   38.765   0.8507   39.454   1.4711 -0.6890488 1.699322 
1 1 1  -12   34    4 o   97.937   1.0186  9331.40  181.970  9351.49  222.288  9290.59  316.839   98.118   1.1671   97.757   1.6697 0.3611908 2.037114 
1 1 1  -12   34    5 o   43.560   0.8023  1888.54   56.929  1928.55   65.159  1759.48  117.030   44.568   0.7532   42.551   1.4168 2.016895 1.604573 
1 1 1  -12   34    6 o  128.858   1.3297 16363.87  291.098 16598.88  339.264 15707.98  566.778  130.703   1.3372  127.012   2.2988 3.690735 2.659422 
1 1 1  -12   34    7 o   70.717   1.0612  4851.85  145.413  4725.86  198.764  4996.94  213.295   69.733   1.4684   71.700   1.5325 -1.967827 2.122406 
1 1 1  -12   34    8 o   80.883   1.1208  6324.06  174.942  6051.58  233.101  6675.46  264.715   78.905   1.5219   82.862   1.6457 -3.957466 2.241535 
1 1 1  -12   34    9 o   48.552   1.3296  2290.60  125.309  2290.60  125.309   0.0000   0.0000   48.552   1.3296  ?   ?       ?      ? 
1 1 1  -12   34   10 o   86.882   1.6690  7340.24  281.487  7340.24  281.487   0.0000   0.0000   86.882   1.6690  ?   ?       ?      ? 
1 1 1  -12   34   11 o   37.291   1.6901  1352.42  122.344  1352.42  122.344   0.0000   0.0000   37.291   1.6901  ?   ?       ?      ? 
1 1 1  -12   34   12 o   64.596   1.4883  4056.66  186.622  4056.66  186.622   0.0000   0.0000   64.596   1.4883  ?   ?       ?      ? 
1 1 1  -12   34   13 o   31.210   1.9163  948.292  116.095  948.292  116.095   0.0000   0.0000   31.210   1.9163  ?   ?       ?      ? 
1 1 1  -12   34   14 o   41.000   1.4505  1634.73  115.444  1634.73  115.444   0.0000   0.0000   41.000   1.4505  ?   ?       ?      ? 
1 1 1  -12   34   15 o   34.170   1.7264  1136.48  114.511  1136.48  114.511   0.0000   0.0000   34.170   1.7264  ?   ?       ?      ? 
1 1 1  -12   34   16 o   41.953   1.6753  1713.74  136.438  1713.74  136.438   0.0000   0.0000   41.953   1.6753  ?   ?       ?      ? 
1 1 1  -12   34   17 o   31.003   1.5866  935.613   95.486  935.613   95.486   0.0000   0.0000   31.003   1.5866  ?   ?       ?      ? 
1 1 1  -12   34   18 o   53.456   1.5760  2782.60  163.540  2782.60  163.540   0.0000   0.0000   53.456   1.5760  ?   ?       ?      ? 
1 1 1  -12   34   19 o   62.500   0.9320  3797.18  110.001  3824.25  177.730  3780.36  140.048   62.660   1.4612   62.340   1.1573 0.3198395 1.863962 
1 1 1  -12   34   20 o   26.797   1.2168  708.549   45.681  690.726  115.480  711.855   49.737   26.537   2.2417   27.056   0.9470 -0.5191193 2.433563 
1 1 1  -12   34   21 o   53.411   0.9845  2787.75   93.027  2769.40  171.092  2795.45  110.843   53.231   1.6558   53.590   1.0655 -0.3584785 1.968971 
1 1 1  -12   34   22 o   45.247   1.0433  2036.52   78.944  1929.12  156.717  2073.04   91.385   44.353   1.8202   46.140   1.0203 -1.787262 2.086692 
1 1 1  -12   34   23 f   24.368   1.4805  553.605   54.554  639.551  130.269  535.326   60.076   25.330   2.6494   23.406   1.3222 1.923168 2.961007 
1 1 1  -12   34   24 o   21.246   1.5166  443.311   62.549   0.0000   0.0000  443.311   62.549  ?   ?    21.246   1.5166      ?      ? 
1 1 1  -12   34   25 o   7.2640   2.9213   28.977   63.100   0.0000   0.0000   28.977   63.100  ?   ?    7.2640   2.9213      ?      ? 
1 1 1  -12   34   26 o   10.126   3.1337  107.614   67.894   0.0000   0.0000  107.614   67.894  ?   ?    10.126   3.1337      ?      ? 
1 1 1  -12   34   27 o   16.166   2.3567  266.088   73.958   0.0000   0.0000  266.088   73.958  ?   ?    16.166   2.3567      ?      ? 
1 1 1  -12   34   28 o   27.182   1.7037  733.513   77.557  817.427  158.529  707.109   88.925   27.784   2.9393   26.579   1.7235 1.205414 3.407359 
1 1 1  -12   35    1 o   64.809   0.8499  4054.69   96.495  4021.42  113.867  4139.46  181.762   64.352   0.9115   65.265   1.4347 -0.9132156 1.699763 
1 1 1  -12   35    2 o   54.701   0.7967  2900.01   74.750  2892.75   87.192  2920.15  145.200   54.582   0.8229   54.820   1.3645 -0.2381592 1.593416 
1 1 1  -12   35    3 o   75.275   0.8963  5562.32  120.712  5655.81  145.539  5356.24  216.083   76.314   0.9825   74.236   1.4995 2.077553 1.792665 
1 1 1  -12   35    4 o  102.267   1.0799 10111.28  204.289  9989.58  252.343 10342.75  348.006  101.400   1.2820  103.133   1.7383 -1.733482 2.159899 
1 1 1  -12   35    5 o  129.052   1.3214 16372.60  322.972 17061.36  418.551 15358.90  507.774  132.476   1.6276  125.628   2.0822 6.848114 2.642837 
1 1 1  -12   35    6 o   23.482   1.1734  532.915   29.826  532.264   31.172  539.968  102.603   23.414   0.6858   23.550   2.2444 -0.1354294 2.346894 
1 1 1  -12   35    7 o   47.821   1.0485  2234.40   96.780  2374.74  132.821  2075.57  141.307   49.434   1.3841   46.207   1.5754 3.226955 2.097058 
1 1 1  -12   35    8 o   55.932   0.9501  3039.99  103.155  3028.23  145.933  3051.73  145.833   55.824   1.3467   56.040   1.3406 -0.2165070 1.900190 
1 1 1  -12   35    9 o   99.274   1.8165  9586.97  350.064  9586.97  350.064   0.0000   0.0000   99.274   1.8165  ?   ?       ?      ? 
1 1 1  -12   35   10 o   14.828   3.1849  223.104   88.938  223.104   88.938   0.0000   0.0000   14.828   3.1849  ?   ?       ?      ? 
1 1 1  -12   35   11 o   61.685   1.4313  3698.86  171.388  3698.86  171.388   0.0000   0.0000   61.685   1.4313  ?   ?       ?      ? 
1 1 1  -12   35   12 o   26.573   1.9670  687.530  101.467  687.530  101.467   0.0000   0.0000   26.573   1.9670  ?   ?       ?      ? 
1 1 1  -12   35   13 o   52.281   1.3804  2657.60  140.093  2657.60  140.093   0.0000   0.0000   52.281   1.3804  ?   ?       ?      ? 
1 1 1  -12   35   14 o   41.944   1.5127  1711.20  123.166  1711.20  123.166   0.0000   0.0000   41.944   1.5127  ?   ?       ?      ? 
1 1 1  -12   35   15 o   46.280   1.6667  2085.20  149.735  2085.20  149.735   0.0000   0.0000   46.280   1.6667  ?   ?       ?      ? 
1 1 1  -12   35   16 o   41.896   1.5386  1708.17  125.127  1708.17  125.127   0.0000   0.0000   41.896   1.5386  ?   ?       ?      ? 
1 1 1  -12   35   17 o   40.236   1.7253  1577.18  134.751  1577.18  134.751   0.0000   0.0000   40.236   1.7253  ?   ?       ?      ? 
1 1 1  -12   35   18 o   73.503   1.5591  5262.42  222.449  5262.42  222.449   0.0000   0.0000   73.503   1.5591  ?   ?       ?      ? 
1 1 1  -12   35   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   35   20 o   24.427   1.2616  496.695   40.669  710.451  120.626  469.280   43.199   26.892   2.3108   21.963   1.0132 4.928829 2.523151 
1 1 1  -12   35   21 o   52.576   0.8766  2676.62   85.673  2756.73  144.587  2633.27  106.354   53.147   1.4015   52.005   1.0535 1.141247 1.753300 
1 1 1  -12   35   22 o   14.807   2.1632  246.885   46.827  184.148  112.079  260.152   51.541   13.316   4.0080   16.299   1.6290 -2.983449 4.326374 
1 1 1  -12   35   23 o   16.786   2.1203  357.967   50.418  187.526  111.207  402.065   56.566   13.311   3.9892   20.261   1.4383 -6.949839 4.240527 
1 1 1  -12   35   24 o   24.341   1.2185  570.272   53.555  624.517   97.072  546.536   64.212   25.084   1.9935   23.598   1.4018 1.486042 2.437037 
1 1 1  -12   35   25 o   9.0832   3.0468   81.381   63.341   0.0000   0.0000   81.381   63.341  ?   ?    9.0832   3.0468      ?      ? 
1 1 1  -12   35   26 o   28.401   1.3953  794.946   76.927   0.0000   0.0000  794.946   76.927  ?   ?    28.401   1.3953      ?      ? 
1 1 1  -12   35   27 o   5.5172   2.6076 -73.7204   73.551   0.0000   0.0000 -73.7204   73.551  ?   ?    5.5172   2.6076      ?      ? 
1 1 1  -12   35   28 o   35.322   1.5166  1355.67   86.271  1115.68  171.700  1436.72   99.780   32.564   2.7163   38.081   1.3498 -5.517445 3.033161 
1 1 1  -12   36    1 o   65.656   0.8549  4217.39   99.938  4263.05  119.857  4113.21  181.032   66.256   0.9319   65.057   1.4335 1.198997 1.709784 
1 1 1  -12   36    2 o   10.700   2.4075   93.733   44.993   85.145   49.189  137.728  111.331   9.2323   2.6220   12.167   4.0384 -2.934754 4.814906 
1 1 1  -12   36    3 o  112.243   1.1635 12241.62  243.877 12223.08  305.600 12274.14  404.692  112.151   1.4037  112.334   1.8559 -0.1822281 2.326959 
1 1 1  -12   36    4 o   21.517   1.4801  482.084   42.554  495.157   46.158  408.050  109.846   22.579   1.0531   20.455   2.7665 2.124126 2.960151 
1 1 1  -12   36    5 f   77.554   0.9328  5827.72  128.542  5803.40  153.342  5885.21  235.742   77.300   1.0219   77.808   1.5608 -0.5084610 1.865585 
1 1 1  -12   36    6 o   7.1845   1.7554   51.682   19.326   57.261   19.613 -134.7594  113.369   7.5575   1.3880   6.8114   3.2247 0.7461185 3.510761 
1 1 1  -12   36    7 o   70.784   1.0357  4871.52  142.267  4769.09  202.224  4971.90  200.183   70.045   1.4873   71.522   1.4419 -1.476997 2.071443 
1 1 1  -12   36    8 o   7.9720   3.4255  -7.0718   95.431  -7.0718   95.431   0.0000   0.0000   7.9720   3.4255  ?   ?       ?      ? 
1 1 1  -12   36    9 o   80.533   1.5332  6305.53  239.684  6305.53  239.684   0.0000   0.0000   80.533   1.5332  ?   ?       ?      ? 
1 1 1  -12   36   10 o   80.817   1.5492  6350.84  243.044  6350.84  243.044   0.0000   0.0000   80.817   1.5492  ?   ?       ?      ? 
1 1 1  -12   36   11 o   22.462   2.0916  491.422   91.199  491.422   91.199   0.0000   0.0000   22.462   2.0916  ?   ?       ?      ? 
1 1 1  -12   36   12 o   18.070   2.7943  319.181   98.016  319.181   98.016   0.0000   0.0000   18.070   2.7943  ?   ?       ?      ? 
1 1 1  -12   36   13 o   34.502   1.7109  1158.48  114.584  1158.48  114.584   0.0000   0.0000   34.502   1.7109  ?   ?       ?      ? 
1 1 1  -12   36   14 o   35.900   1.8312  1255.31  127.612  1255.31  127.612   0.0000   0.0000   35.900   1.8312  ?   ?       ?      ? 
1 1 1  -12   36   15 o   22.947   2.5399  514.773  113.139  514.773  113.139   0.0000   0.0000   22.947   2.5399  ?   ?       ?      ? 
1 1 1  -12   36   16 o   39.994   1.5403  1556.93  119.585  1556.93  119.585   0.0000   0.0000   39.994   1.5403  ?   ?       ?      ? 
1 1 1  -12   36   17 o   41.612   1.7146  1687.33  138.502  1687.33  138.502   0.0000   0.0000   41.612   1.7146  ?   ?       ?      ? 
1 1 1  -12   36   18 o   53.485   1.4993  2787.10  155.667  2787.10  155.667   0.0000   0.0000   53.485   1.4993  ?   ?       ?      ? 
1 1 1  -12   36   19 o   52.749   1.4897  2713.23  152.537  2713.23  152.537   0.0000   0.0000   52.749   1.4897  ?   ?       ?      ? 
1 1 1  -12   36   20 o   54.638   0.9649  2900.91   92.962  2935.73  172.745  2886.72  110.294   54.815   1.6235   54.461   1.0433 0.3535385 1.929785 
1 1 1  -12   36   21 o   56.032   0.9841  3088.14   98.814  3006.08  176.733  3125.46  119.184   55.421   1.6428   56.644   1.0839 -1.222504 1.968152 
1 1 1  -12   36   22 o   45.281   0.9809  2009.25   75.498  1993.92  148.007  2014.64   87.777   45.085   1.6911   45.476   0.9943 -0.3907204 1.961805 
1 1 1  -12   36   23 o   36.182   1.0078  1276.48   61.207  1297.45  122.962  1269.57   70.572   36.288   1.7456   36.076   1.0077 0.2118835 2.015610 
1 1 1  -12   36   24 o   14.866   2.1608  237.017   51.467  218.136  109.149  242.415   58.363   14.107   3.8695   15.626   1.9241 -1.519245 4.321514 
1 1 1  -12   36   25 o   36.915   1.1708  1335.21   83.900   0.0000   0.0000  1335.21   83.900  ?   ?    36.915   1.1708      ?      ? 
1 1 1  -12   36   26 o   11.199   3.0382  135.696   67.727   0.0000   0.0000  135.696   67.727  ?   ?    11.199   3.0382      ?      ? 
1 1 1  -12   36   27 o   29.075   1.4848  838.433   83.802   0.0000   0.0000  838.433   83.802  ?   ?    29.075   1.4848      ?      ? 
1 1 1  -12   36   28 o   6.7136   3.0123 -18.8482   81.475   0.0000   0.0000 -18.8482   81.475  ?   ?    6.7136   3.0123      ?      ? 
1 1 1  -12   37    1 o   35.736   1.0418  1291.22   59.244  1331.41   67.371  1154.18  124.422   37.026   0.9373   34.445   1.8608 2.581642 2.083580 
1 1 1  -12   37    2 o   57.607   0.7942  3274.96   83.512  3381.63  102.914  3069.27  142.904   59.011   0.8984   56.202   1.3099 2.808216 1.588354 
1 1 1  -12   37    3 o   31.811   1.1336  1036.02   51.781  1063.39   57.023  907.329  123.638   33.091   0.8877   30.531   2.0861 2.560247 2.267161 
1 1 1  -12   37    4 o   63.315   0.8527  3911.80   94.740  3935.03  112.317  3854.50  176.389   63.656   0.9090   62.975   1.4429 0.6810112 1.705341 
1 1 1  -12   37    5 o   84.749   0.9540  7061.29  130.527  7128.15  148.386  6832.59  274.427   85.675   0.8922   83.822   1.6866 1.852913 1.908025 
1 1 1  -12   37    6 f   91.133   0.9912  8190.67  149.561  8302.79  172.062  7844.13  302.505   92.461   0.9587   89.806   1.7353 2.654839 1.982456 
1 1 1  -12   37    7 o   60.191   1.0343  3522.69  120.650  3538.85  166.202  3504.69  175.422   60.340   1.4190   60.042   1.5051 0.2972565 2.068500 
1 1 1  -12   37    8 o   14.587   3.5782  216.712  100.553  216.712  100.553   0.0000   0.0000   14.587   3.5782  ?   ?       ?      ? 
1 1 1  -12   37    9 o   20.086   2.6111  393.649  101.811  393.649  101.811   0.0000   0.0000   20.086   2.6111  ?   ?       ?      ? 
1 1 1  -12   37   10 o   74.512   1.5053  5398.79  217.733  5398.79  217.733   0.0000   0.0000   74.512   1.5053  ?   ?       ?      ? 
1 1 1  -12   37   11 o   56.826   1.4089  3139.93  155.412  3139.93  155.412   0.0000   0.0000   56.826   1.4089  ?   ?       ?      ? 
1 1 1  -12   37   12 o   22.353   2.5050  487.775  108.694  487.775  108.694   0.0000   0.0000   22.353   2.5050  ?   ?       ?      ? 
1 1 1  -12   37   13 f   38.715   1.8376  1459.75  138.105  1459.75  138.105   0.0000   0.0000   38.715   1.8376  ?   ?       ?      ? 
1 1 1  -12   37   14 o   34.241   1.8952  1142.56  125.965  1142.56  125.965   0.0000   0.0000   34.241   1.8952  ?   ?       ?      ? 
1 1 1  -12   37   15 o   35.541   1.6309  1229.80  112.518  1229.80  112.518   0.0000   0.0000   35.541   1.6309  ?   ?       ?      ? 
1 1 1  -12   37   16 o   33.593   2.0249  1101.12  132.046  1101.12  132.046   0.0000   0.0000   33.593   2.0249  ?   ?       ?      ? 
1 1 1  -12   37   17 o   34.478   1.7547  1159.22  117.441  1159.22  117.441   0.0000   0.0000   34.478   1.7547  ?   ?       ?      ? 
1 1 1  -12   37   18 o   24.761   2.6054  603.021  125.227  603.021  125.227   0.0000   0.0000   24.761   2.6054  ?   ?       ?      ? 
1 1 1  -12   37   19 o   23.093   2.5704  525.487  115.225  525.487  115.225   0.0000   0.0000   23.093   2.5704  ?   ?       ?      ? 
1 1 1  -12   37   20 o   19.990   1.6173  401.130   35.662  384.290  117.873  402.827   37.415   19.634   3.0928   20.347   0.9473 -0.7127285 3.234587 
1 1 1  -12   37   21 o   26.093   1.3704  648.875   45.234  696.408  131.934  642.544   48.153   26.497   2.5651   25.690   0.9656 0.8072472 2.740785 
1 1 1  -12   37   22 o   13.273   2.3420  121.667   44.420  306.473  127.497   96.136   47.389   16.900   3.9562   9.6449   2.5077 7.255465 4.684043 
1 1 1  -12   37   23 o   33.245   1.2237  1152.64   60.873  991.632  136.683  1192.48   67.987   31.534   2.2329   34.955   1.0020 -3.420952 2.447383 
1 1 1  -12   37   24 o   12.840   2.4793  148.312   51.060  232.954  125.469  131.512   55.898   14.490   4.2103   11.191   2.6194 3.298507 4.958601 
1 1 1  -12   37   25 o   25.883   1.3046  672.942   59.238  652.511  109.449  681.406   70.448   25.459   2.2147   26.307   1.3795 -0.8481655 2.609190 
1 1 1  -12   37   26 f   6.1227   2.7267 -16.8531   65.439   0.0000   0.0000 -16.8531   65.439  ?   ?    6.1227   2.7267      ?      ? 
1 1 1  -12   37   27 o   35.606   1.3883  1255.91   95.954   0.0000   0.0000  1255.91   95.954  ?   ?    35.606   1.3883      ?      ? 
1 1 1  -12   38    1 o  119.595   1.2365 13925.09  276.573 13960.70  347.621 13863.68  456.544  119.838   1.4943  119.352   1.9705 0.4861603 2.473068 
1 1 1  -12   38    2 o   21.202   1.5402  425.202   50.211  417.470   55.723  458.586  115.787   20.725   1.3850   21.679   2.7514 -0.9538441 3.080336 
1 1 1  -12   38    3 o   79.655   0.9390  6156.69  135.075  6140.84  163.305  6191.03  240.342   79.511   1.0581   79.799   1.5516 -0.2882538 1.877980 
1 1 1  -12   38    4 o   60.211   0.8751  3569.86   90.446  3625.65  106.043  3420.95  173.258   61.102   0.8941   59.321   1.5046 1.780659 1.750186 
1 1 1  -12   38    5 o   14.790   1.8804  234.804   27.948  238.056   29.123  196.952   99.371   15.656   0.9583   13.925   3.6367 1.731112 3.760812 
1 1 1  -12   38    6 o   72.452   0.7779  5097.17  109.404  5097.17  109.404   0.0000   0.0000   72.452   0.7779  ?   ?       ?      ? 
1 1 1  -12   38    7 o   84.879   1.1733  6998.75  193.084  6846.21  265.557  7169.84  281.242   83.902   1.6305   85.856   1.6875 -1.954048 2.346534 
1 1 1  -12   38    8 o   15.847   3.5439  255.732  106.282  255.732  106.282   0.0000   0.0000   15.847   3.5439  ?   ?       ?      ? 
1 1 1  -12   38    9 o   35.461   1.7461  1223.66  120.197  1223.66  120.197   0.0000   0.0000   35.461   1.7461  ?   ?       ?      ? 
1 1 1  -12   38   10 f   29.924   1.9738  872.233  114.653  872.233  114.653   0.0000   0.0000   29.924   1.9738  ?   ?       ?      ? 
1 1 1  -12   38   11 o   59.031   1.4655  3388.86  167.935  3388.86  167.935   0.0000   0.0000   59.031   1.4655  ?   ?       ?      ? 
1 1 1  -12   38   12 o   18.847   3.0203  347.875  110.497  347.875  110.497   0.0000   0.0000   18.847   3.0203  ?   ?       ?      ? 
1 1 1  -12   38   13 o   77.382   1.5817  5828.32  237.596  5828.32  237.596   0.0000   0.0000   77.382   1.5817  ?   ?       ?      ? 
1 1 1  -12   38   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   38   15 o   34.551   2.0094  1164.55  134.770  1164.55  134.770   0.0000   0.0000   34.551   2.0094  ?   ?       ?      ? 
1 1 1  -12   38   16 o   14.395   3.9488  212.124  113.664  212.124  113.664   0.0000   0.0000   14.395   3.9488  ?   ?       ?      ? 
1 1 1  -12   38   17 f   7.6838   3.5089 -73.4648  116.540 -73.4648  116.540   0.0000   0.0000   7.6838   3.5089  ?   ?       ?      ? 
1 1 1  -12   38   18 o   43.384   1.5804  1836.62  133.090  1836.62  133.090   0.0000   0.0000   43.384   1.5804  ?   ?       ?      ? 
1 1 1  -12   38   19 o   64.710   1.6330  4092.13  205.128  4092.13  205.128   0.0000   0.0000   64.710   1.6330  ?   ?       ?      ? 
1 1 1  -12   38   20 o   34.868   1.0589  1080.45   46.983  1337.75  140.997  1048.31   49.831   36.903   1.9683   32.833   0.7818 4.069923 2.117850 
1 1 1  -12   38   21 o   41.396   0.9464  1645.34   63.155  1726.63  135.622  1622.83   71.366   41.963   1.6650   40.829   0.9004 1.133671 1.892846 
1 1 1  -12   38   22 o   32.737   0.9520  1062.28   52.193  1023.83  103.812  1075.29   60.379   32.262   1.6577   33.213   0.9365 -0.9518242 1.903912 
1 1 1  -12   38   23 o   38.986   0.9866  1492.58   64.470  1492.94  129.224  1492.46   74.390   38.873   1.7125   39.099   0.9801 -0.2257309 1.973146 
1 1 1  -12   38   24 o   18.536   1.4721  336.687   48.525  359.648   89.755  327.203   57.682   18.873   2.4499   18.199   1.6328 0.6745205 2.944160 
1 1 1  -12   38   25 o   19.770   1.6599  407.105   57.080  370.494  104.694  422.591   68.089   18.917   2.8511   20.623   1.7009 -1.705914 3.319874 
1 1 1  -12   38   26 o   32.025   1.2799  1011.00   79.569   0.0000   0.0000  1011.00   79.569  ?   ?    32.025   1.2799      ?      ? 
1 1 1  -12   38   27 o   30.376   1.4894  918.782   87.825   0.0000   0.0000  918.782   87.825  ?   ?    30.376   1.4894      ?      ? 
1 1 1  -12   39    1 o   42.320   0.9197  1779.25   65.382  1819.77   75.924  1662.99  128.617   43.287   0.9036   41.353   1.6022 1.933819 1.839444 
1 1 1  -12   39    2 o  109.997   1.2210 11845.07  245.231 11995.93  300.687 11545.40  423.789  111.092   1.3943  108.902   2.0047 2.190384 2.441921 
1 1 1  -12   39    3 o   54.248   0.8933  2893.35   80.339  2925.16   92.415  2794.95  162.554   54.883   0.8674   53.613   1.5619 1.269287 1.786633 
1 1 1  -12   39    4 o   27.011   1.1304  674.684   47.402  652.994   52.603  768.380  109.329   25.927   1.0452   28.094   2.0047 -2.166567 2.260835 
1 1 1  -12   39    5 o   67.474   0.8564  4446.88   88.882  4461.79   99.154  4385.90  200.530   67.786   0.7535   67.161   1.5381 0.6252747 1.712802 
1 1 1  -12   39    6 o   48.659   0.8260  2267.10   52.173  2255.73   55.812  2345.86  146.888   48.202   0.5965   49.116   1.5406 -0.9145050 1.652057 
1 1 1  -12   39    7 o   17.611   2.1180  322.235   67.815  381.832   89.705  242.749  103.598   19.790   2.3351   15.433   3.5342 4.357269 4.235960 
1 1 1  -12   39    8 o   61.654   1.4325  3696.14  171.446  3696.14  171.446   0.0000   0.0000   61.654   1.4325  ?   ?       ?      ? 
1 1 1  -12   39    9 o   50.900   1.4854  2519.78  146.768  2519.78  146.768   0.0000   0.0000   50.900   1.4854  ?   ?       ?      ? 
1 1 1  -12   39   10 o   43.409   1.5694  1833.10  132.245  1833.10  132.245   0.0000   0.0000   43.409   1.5694  ?   ?       ?      ? 
1 1 1  -12   39   11 o   49.973   1.4791  2429.18  143.484  2429.18  143.484   0.0000   0.0000   49.973   1.4791  ?   ?       ?      ? 
1 1 1  -12   39   12 o   20.508   2.6221  411.376  104.383  411.376  104.383   0.0000   0.0000   20.508   2.6221  ?   ?       ?      ? 
1 1 1  -12   39   13 o   38.483   1.3597  1440.33  101.570  1440.33  101.570   0.0000   0.0000   38.483   1.3597  ?   ?       ?      ? 
1 1 1  -12   39   14 o   23.011   2.6101  518.245  116.591  518.245  116.591   0.0000   0.0000   23.011   2.6101  ?   ?       ?      ? 
1 1 1  -12   39   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   39   16 o   86.872   1.6999  7360.24  286.661  7360.24  286.661   0.0000   0.0000   86.872   1.6999  ?   ?       ?      ? 
1 1 1  -12   39   17 o   25.329   2.5557  631.077  125.661  631.077  125.661   0.0000   0.0000   25.329   2.5557  ?   ?       ?      ? 
1 1 1  -12   39   18 o   49.090   1.5931  2353.17  151.813  2353.17  151.813   0.0000   0.0000   49.090   1.5931  ?   ?       ?      ? 
1 1 1  -12   39   19 o   37.109   1.8384  1349.67  132.425  1349.67  132.425   0.0000   0.0000   37.109   1.8384  ?   ?       ?      ? 
1 1 1  -12   39   20 o   38.039   1.0404  1312.32   53.310  1562.05  148.256  1275.23   57.131   39.871   1.9155   36.207   0.8129 3.663826 2.080877 
1 1 1  -12   39   21 o   8.7158   2.4089   38.832   34.751   97.278  127.336   34.128   36.122   11.069   4.2385   6.3631   2.2907 4.705446 4.817863 
1 1 1  -12   39   22 o   8.9656   2.4663   37.030   40.941  123.635  126.981   26.982   43.251   11.582   4.2755   6.3497   2.4599 5.231841 4.932679 
1 1 1  -12   39   23 o   25.328   1.3582  567.357   48.810  745.674  129.807  537.993   52.675   27.210   2.4576   23.446   1.1574 3.764214 2.716466 
1 1 1  -12   39   24 f   12.188   2.4785  127.091   48.783  229.926  123.093  107.931   53.133   14.275   4.1766   10.100   2.6696 4.174512 4.956908 
1 1 1  -12   39   25 f   11.660   2.4024  164.745   56.313   58.810  129.792  189.312   62.503   9.8987   4.1089   13.422   2.4907 -3.523003 4.804841 
1 1 1  -12   39   26 o   24.542   1.5463  598.994   73.666   0.0000   0.0000  598.994   73.666  ?   ?    24.542   1.5463      ?      ? 
1 1 1  -12   39   27 o   28.334   1.5151  801.087   83.336   0.0000   0.0000  801.087   83.336  ?   ?    28.334   1.5151      ?      ? 
1 1 1  -12   40    1 o   74.003   0.9463  5334.96  123.555  5351.72  146.917  5294.46  228.362   74.224   1.0197   73.781   1.5945 0.4431763 1.892627 
1 1 1  -12   40    2 o   34.003   1.0404  1079.90   55.882  1049.74   62.444  1201.23  125.234   32.874   0.9785   35.132   1.8363 -2.257992 2.080785 
1 1 1  -12   40    3 o   80.417   0.9466  6307.45  138.025  6347.03  167.841  6224.77  242.587   80.829   1.0697   80.005   1.5620 0.8242798 1.893201 
1 1 1  -12   40    4 o   33.872   1.0600  1077.39   53.586  1056.74   58.922  1176.15  128.869   32.985   0.9202   34.759   1.9100 -1.773693 2.120082 
1 1 1  -12   40    5 o   19.872   1.5558  391.996   31.432  393.267   32.696  376.506  114.145   20.123   0.8370   19.621   2.9969 0.5024014 3.111607 
1 1 1  -12   40    6 o   74.348   0.8725  5375.99  102.657  5378.67  115.554  5365.95  223.606   74.421   0.7999   74.275   1.5509 0.1465454 1.745004 
1 1 1  -12   40    7 o   98.551   1.3073  9456.23  249.875  9447.76  346.186  9465.44  361.035   98.511   1.8103   98.591   1.8865 -0.7923126E-01 2.614583 
1 1 1  -12   40    8 o   70.186   1.4780  4790.89  201.366  4790.89  201.366   0.0000   0.0000   70.186   1.4780  ?   ?       ?      ? 
1 1 1  -12   40    9 o   60.472   1.4648  3556.40  171.953  3556.40  171.953   0.0000   0.0000   60.472   1.4648  ?   ?       ?      ? 
1 1 1  -12   40   10 o   57.839   1.4313  3253.90  160.699  3253.90  160.699   0.0000   0.0000   57.839   1.4313  ?   ?       ?      ? 
1 1 1  -12   40   11 o   21.848   2.2851  466.037   96.911  466.037   96.911   0.0000   0.0000   21.848   2.2851  ?   ?       ?      ? 
1 1 1  -12   40   12 o   54.102   1.3720  2846.88  144.085  2846.88  144.085   0.0000   0.0000   54.102   1.3720  ?   ?       ?      ? 
1 1 1  -12   40   13 o   46.929   1.5157  2143.55  138.081  2143.55  138.081   0.0000   0.0000   46.929   1.5157  ?   ?       ?      ? 
1 1 1  -12   40   14 o   8.8849   3.7895   0.6538  115.244   0.6538  115.244   0.0000   0.0000   8.8849   3.7895  ?   ?       ?      ? 
1 1 1  -12   40   15 o   64.663   1.4591  4072.02  183.150  4072.02  183.150   0.0000   0.0000   64.663   1.4591  ?   ?       ?      ? 
1 1 1  -12   40   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   40   17 o   31.023   1.8540  941.393  111.650  941.393  111.650   0.0000   0.0000   31.023   1.8540  ?   ?       ?      ? 
1 1 1  -12   40   18 o   48.222   1.6969  2274.52  158.842  2274.52  158.842   0.0000   0.0000   48.222   1.6969  ?   ?       ?      ? 
1 1 1  -12   40   19 o   18.590   3.6153  359.966  125.769  359.966  125.769   0.0000   0.0000   18.590   3.6153  ?   ?       ?      ? 
1 1 1  -12   40   20 o   23.767   2.3702  559.944  109.353  559.944  109.353   0.0000   0.0000   23.767   2.3702  ?   ?       ?      ? 
1 1 1  -12   40   21 o   18.440   1.5604  290.724   33.142  401.945  113.654  280.387   34.648   19.929   2.9379   16.950   1.0530 2.978872 3.120889 
1 1 1  -12   40   22 o   7.5296   2.1696   37.290   39.945 -53.4392  117.888   49.057   42.456   7.8064   3.5510   7.2529   2.4937 0.5534973 4.339171 
1 1 1  -12   40   23 o   7.6500   2.2206   35.813   45.527 -71.0954  122.300   53.011   49.053   7.6962   3.5441   7.6039   2.6766 0.9232569E-01 4.441275 
1 1 1  -12   40   24 o   25.250   1.5084  670.361   54.894  596.440  129.627  686.515   60.596   24.053   2.7762   26.447   1.1803 -2.393965 3.016716 
1 1 1  -12   40   25 o   13.270   2.4137  178.080   55.418  236.637  114.427  160.137   63.342   14.330   3.9745   12.210   2.7397 2.119313 4.827300 
1 1 1  -12   40   26 o   18.786   1.9179  356.698   69.941   0.0000   0.0000  356.698   69.941  ?   ?    18.786   1.9179      ?      ? 
1 1 1  -12   41    1 o   16.040   2.0565  281.400   48.225  297.103   53.828  217.542  108.551   17.476   1.5868   14.605   3.7945 2.870710 4.112904 
1 1 1  -12   41    2 o   41.545   0.9745  1723.27   67.294  1768.07   77.819  1590.42  133.994   42.663   0.9396   40.426   1.7075 2.237881 1.948983 
1 1 1  -12   41    3 o   27.261   1.0478  722.047   55.447  722.047   55.447   0.0000   0.0000   27.261   1.0478  ?   ?       ?      ? 
1 1 1  -12   41    4 o   35.522   0.9698  1304.16   51.636  1353.25   57.695  1106.54  115.751   37.329   0.7962   33.716   1.7686 3.612934 1.939542 
1 1 1  -12   41    5 o   56.948   0.8050  3090.05   67.950  3057.12   74.717  3247.51  163.392   56.110   0.6860   57.786   1.4566 -1.676113 1.610044 
1 1 1  -12   41    6 o   49.766   0.8897  2390.21   57.076  2384.47   61.025  2430.29  161.286   49.556   0.6344   49.975   1.6626 -0.4190788 1.779471 
1 1 1  -12   41    7 o   65.156   0.8747  4178.85   85.814  4210.22   95.213  4043.05  198.079   65.845   0.7449   64.467   1.5828 1.378471 1.749367 
1 1 1  -12   41    8 o   51.092   1.4164  2538.57  140.472  2538.57  140.472   0.0000   0.0000   51.092   1.4164  ?   ?       ?      ? 
1 1 1  -12   41    9 f   96.793   1.7998  9125.64  338.166  9125.64  338.166   0.0000   0.0000   96.793   1.7998  ?   ?       ?      ? 
1 1 1  -12   41   10 f   18.641   2.6687  339.983   96.568  339.983   96.568   0.0000   0.0000   18.641   2.6687  ?   ?       ?      ? 
1 1 1  -12   41   11 o   19.171   2.5079  359.231   93.327  359.231   93.327   0.0000   0.0000   19.171   2.5079  ?   ?       ?      ? 
1 1 1  -12   41   12 o   53.705   1.4509  2806.56  151.260  2806.56  151.260   0.0000   0.0000   53.705   1.4509  ?   ?       ?      ? 
1 1 1  -12   41   13 o   25.379   2.4350  630.044  119.960  630.044  119.960   0.0000   0.0000   25.379   2.4350  ?   ?       ?      ? 
1 1 1  -12   41   14 o   72.610   1.5150  5135.24  213.533  5135.24  213.533   0.0000   0.0000   72.610   1.5150  ?   ?       ?      ? 
1 1 1  -12   41   15 o   82.829   1.6708  6693.96  268.637  6693.96  268.637   0.0000   0.0000   82.829   1.6708  ?   ?       ?      ? 
1 1 1  -12   41   16 o   67.099   1.5266  4391.92  198.844  4391.92  198.844   0.0000   0.0000   67.099   1.5266  ?   ?       ?      ? 
1 1 1  -12   41   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   41   18 o   13.990   3.9088  204.746  110.248  204.746  110.248   0.0000   0.0000   13.990   3.9088  ?   ?       ?      ? 
1 1 1  -12   41   19 o   29.295   2.3763  849.364  135.131  849.364  135.131   0.0000   0.0000   29.295   2.3763  ?   ?       ?      ? 
1 1 1  -12   41   20 f   43.431   1.8299  1858.12  154.273  1858.12  154.273   0.0000   0.0000   43.431   1.8299  ?   ?       ?      ? 
1 1 1  -12   41   21 o   6.9167   2.2058 -17.4630   27.199   68.416  122.306 -21.9311   27.898   10.185   4.0774   3.6481   1.6845 6.537265 4.411651 
1 1 1  -12   41   22 o   10.450   2.3182   68.603   37.194  202.610  111.104   51.689   39.471   13.602   3.9647   7.2977   2.4037 6.304659 4.636425 
1 1 1  -12   41   23 o   12.776   2.2310  147.119   42.907  225.266  110.229  133.164   46.580   14.214   3.8843   11.338   2.1957 2.875916 4.461909 
1 1 1  -12   41   24 o   41.339   1.0205  1639.49   70.883  1788.33  144.427  1592.27   81.356   42.362   1.7563   40.315   1.0396 2.047138 2.040937 
1 1 1  -12   41   25 o   6.6259   2.7566   17.375   58.610   0.0000   0.0000   17.375   58.610  ?   ?    6.6259   2.7566      ?      ? 
1 1 1  -12   41   26 o   13.733   2.7131  204.673   69.760   0.0000   0.0000  204.673   69.760  ?   ?    13.733   2.7131      ?      ? 
1 1 1  -12   42    1 o   44.792   0.9575  1940.03   68.834  1931.86   77.803  1969.43  147.675   44.597   0.8987   44.986   1.6911 -0.3889618 1.915046 
1 1 1  -12   42    2 o   55.201   0.9146  2978.19   87.210  2997.60  102.380  2926.86  166.489   55.551   0.9494   54.852   1.5636 0.6983261 1.829273 
1 1 1  -12   42    3 o   92.222   1.0649  8289.20  177.267  8319.09  214.577  8224.93  314.590   92.520   1.1948   91.924   1.7630 0.5961456 2.129702 
1 1 1  -12   42    4 o   58.529   0.7093  3326.43   80.592  3326.43   80.592   0.0000   0.0000   58.529   0.7093  ?   ?       ?      ? 
1 1 1  -12   42    5 o   24.245   1.5310  649.357   35.968  662.834   37.453  489.474  129.000   26.126   0.7385   22.364   2.9715 3.762291 3.061930 
1 1 1  -12   42    6 o   48.145   0.8324  2297.70   55.554  2317.44   60.393  2189.12  141.647   48.854   0.6368   47.436   1.5383 1.417885 1.664885 
1 1 1  -12   42    7 o   42.947   0.7817  1815.23   44.931  1824.01   48.452  1761.33  120.054   43.343   0.5759   42.551   1.4535 0.7920647 1.563393 
1 1 1  -12   42    8 o   39.551   1.4632  1521.97  112.340  1521.97  112.340   0.0000   0.0000   39.551   1.4632  ?   ?       ?      ? 
1 1 1  -12   42    9 o   53.964   1.3447  2832.12  140.862  2832.12  140.862   0.0000   0.0000   53.964   1.3447  ?   ?       ?      ? 
1 1 1  -12   42   10 o   66.599   1.4805  4315.76  191.406  4315.76  191.406   0.0000   0.0000   66.599   1.4805  ?   ?       ?      ? 
1 1 1  -12   42   11 o   35.090   1.8191  1199.94  123.907  1199.94  123.907   0.0000   0.0000   35.090   1.8191  ?   ?       ?      ? 
1 1 1  -12   42   12 o   58.678   1.4885  3351.68  169.550  3351.68  169.550   0.0000   0.0000   58.678   1.4885  ?   ?       ?      ? 
1 1 1  -12   42   13 o   36.927   1.7110  1329.37  122.644  1329.37  122.644   0.0000   0.0000   36.927   1.7110  ?   ?       ?      ? 
1 1 1  -12   42   14 f  108.610   1.9892 11532.34  419.380 11532.34  419.380   0.0000   0.0000  108.610   1.9892  ?   ?       ?      ? 
1 1 1  -12   42   15 o   91.429   1.7892  8168.51  317.547  8168.51  317.547   0.0000   0.0000   91.429   1.7892  ?   ?       ?      ? 
1 1 1  -12   42   16 f   22.887   2.1480  514.135   95.431  514.135   95.431   0.0000   0.0000   22.887   2.1480  ?   ?       ?      ? 
1 1 1  -12   42   17 o   22.777   2.6505  513.752  117.188  513.752  117.188   0.0000   0.0000   22.777   2.6505  ?   ?       ?      ? 
1 1 1  -12   42   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   42   19 o   22.837   2.6552  520.509  117.705  520.509  117.705   0.0000   0.0000   22.837   2.6552  ?   ?       ?      ? 
1 1 1  -12   42   20 o   6.4706   3.1279 -176.3869  119.474 -176.3869  119.474   0.0000   0.0000   6.4706   3.1279  ?   ?       ?      ? 
1 1 1  -12   42   21 o   13.109   2.3045  160.703   24.835  194.398  137.885  159.574   25.248   13.437   4.4953   12.781   1.0176 0.6559067 4.609062 
1 1 1  -12   42   22 o   7.7772   2.3295   29.663   34.209   11.523  137.071   30.868   35.327   9.4162   4.0757   6.1383   2.2569 3.277905 4.658905 
1 1 1  -12   42   23 o   20.820   1.7487  399.866   46.423  500.690  137.746  386.947   49.307   21.803   3.2546   19.836   1.2805 1.966293 3.497490 
1 1 1  -12   42   24 o   8.7567   2.4046   67.705   48.155 -44.5889  148.080   80.985   50.923   8.7177   3.9711   8.7957   2.7126 -0.7800102E-01 4.809116 
1 1 1  -12   42   25 o   25.858   1.3202  661.419   66.267   0.0000   0.0000  661.419   66.267  ?   ?    25.858   1.3202      ?      ? 
1 1 1  -12   43    1 o   44.308   0.9300  1903.16   70.673  1896.53   82.418  1921.58  137.361   44.182   0.9610   44.435   1.5925 -0.2524796 1.859972 
1 1 1  -12   43    2 o   88.954   1.0602  7679.40  168.957  7649.13  202.859  7747.94  305.279   88.709   1.1780   89.199   1.7631 -0.4899216 2.120427 
1 1 1  -12   43    3 f   13.281   2.3871  187.197   51.715  197.693   56.599  134.124  127.267   14.240   2.0476   12.321   4.3129 1.918759 4.774235 
1 1 1  -12   43    4 f   23.043   1.5385  600.573   38.048  620.293   40.123  424.598  119.859   25.271   0.8179   20.816   2.9662 4.455009 3.076948 
1 1 1  -12   43    5 o   15.846   1.5236  221.483   33.097  212.696   35.508  279.675   91.376   14.791   1.2367   16.902   2.7850 -2.111067 3.047276 
1 1 1  -12   43    6 o   50.509   0.8827  2556.08   60.536  2587.50   65.594  2375.61  157.219   51.620   0.6546   49.398   1.6396 2.221825 1.765423 
1 1 1  -12   43    7 o   20.596   0.6627  411.906   26.495  411.906   26.495   0.0000   0.0000   20.596   0.6627  ?   ?       ?      ? 
1 1 1  -12   43    8 o   49.795   1.4835  2412.56  143.400  2412.56  143.400   0.0000   0.0000   49.795   1.4835  ?   ?       ?      ? 
1 1 1  -12   43    9 o   22.600   2.6701  499.907  117.140  499.907  117.140   0.0000   0.0000   22.600   2.6701  ?   ?       ?      ? 
1 1 1  -12   43   10 o   8.6711   3.7471 -11.6044  115.483 -11.6044  115.483   0.0000   0.0000   8.6711   3.7471  ?   ?       ?      ? 
1 1 1  -12   43   11 o   55.965   1.5205  3049.42  165.189  3049.42  165.189   0.0000   0.0000   55.965   1.5205  ?   ?       ?      ? 
1 1 1  -12   43   12 f   72.205   1.5379  5078.54  215.558  5078.54  215.558   0.0000   0.0000   72.205   1.5379  ?   ?       ?      ? 
1 1 1  -12   43   13 o   94.933   1.7827  8797.79  328.520  8797.79  328.520   0.0000   0.0000   94.933   1.7827  ?   ?       ?      ? 
1 1 1  -12   43   14 o   11.606   4.1803  116.425  120.308  116.425  120.308   0.0000   0.0000   11.606   4.1803  ?   ?       ?      ? 
1 1 1  -12   43   15 o   35.906   1.5803  1258.74  110.148  1258.74  110.148   0.0000   0.0000   35.906   1.5803  ?   ?       ?      ? 
1 1 1  -12   43   16 o   8.7088   3.7175   4.3363  111.074   4.3363  111.074   0.0000   0.0000   8.7088   3.7175  ?   ?       ?      ? 
1 1 1  -12   43   17 f   30.077   1.8037  887.122  105.310  887.122  105.310   0.0000   0.0000   30.077   1.8037  ?   ?       ?      ? 
1 1 1  -12   43   18 o   23.146   2.6121  533.156  117.366  533.156  117.366   0.0000   0.0000   23.146   2.6121  ?   ?       ?      ? 
1 1 1  -12   43   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   43   20 o   10.204   3.8632   87.538  105.028   87.538  105.028   0.0000   0.0000   10.204   3.8632  ?   ?       ?      ? 
1 1 1  -12   43   21 o   9.8797   3.6550   86.913   92.893   86.913   92.893   0.0000   0.0000   9.8797   3.6550  ?   ?       ?      ? 
1 1 1  -12   43   22 o   9.2207   2.3503   51.037   32.918  142.662  116.865   43.141   34.307   11.737   4.1313   6.7044   2.2423 5.032667 4.700615 
1 1 1  -12   43   23 o   11.084   2.3365  127.761   40.226  112.313  125.812  129.520   42.455   10.970   4.2101   11.198   2.0278 -0.2283163 4.672940 
1 1 1  -12   43   24 o   12.819   2.0409  166.157   50.788   0.0000   0.0000  166.157   50.788  ?   ?    12.819   2.0409      ?      ? 
1 1 1  -12   43   25 o   5.8602   2.5637  -3.9184   55.457   0.0000   0.0000  -3.9184   55.457  ?   ?    5.8602   2.5637      ?      ? 
1 1 1  -12   44    1 o   45.404   0.9908  2005.04   73.966  2004.84   84.532  2005.69  152.783   45.426   0.9586   45.382   1.7343 0.4322433E-01 1.981606 
1 1 1  -12   44    2 o   22.740   1.5032  479.859   56.777  458.613   64.546  552.524  119.371   21.709   1.5317   23.770   2.5870 -2.061638 3.006423 
1 1 1  -12   44    3 o  106.178   1.1982 11068.57  231.986 11249.66  284.355 10708.15  401.157  107.548   1.3621  104.809   1.9717 2.739136 2.396451 
1 1 1  -12   44    4 o   34.025   1.0995  1185.66   45.172  1203.04   48.032  1052.69  132.884   35.197   0.7030   32.854   2.0836 2.342983 2.199047 
1 1 1  -12   44    5 o   61.658   0.8908  3752.27   80.871  3782.80   89.184  3611.07  191.825   62.410   0.7361   60.906   1.6225 1.504013 1.781662 
1 1 1  -12   44    6 o   40.367   1.0052  1621.46   48.023  1631.22   50.807  1539.67  147.075   40.986   0.6386   39.747   1.9062 1.239132 2.010316 
1 1 1  -12   44    7 o   44.867   0.6192  1954.75   53.926  1954.75   53.926   0.0000   0.0000   44.867   0.6192  ?   ?       ?      ? 
1 1 1  -12   44    8 o   25.232   2.3619  622.154  115.683  622.154  115.683   0.0000   0.0000   25.232   2.3619  ?   ?       ?      ? 
1 1 1  -12   44    9 o   49.512   1.5778  2387.00  151.648  2387.00  151.648   0.0000   0.0000   49.512   1.5778  ?   ?       ?      ? 
1 1 1  -12   44   10 o   58.935   1.5111  3381.90  172.878  3381.90  172.878   0.0000   0.0000   58.935   1.5111  ?   ?       ?      ? 
1 1 1  -12   44   11 o   86.743   1.6971  7336.22  285.757  7336.22  285.757   0.0000   0.0000   86.743   1.6971  ?   ?       ?      ? 
1 1 1  -12   44   12 o   11.236   3.7028  120.713   93.657  120.713   93.657   0.0000   0.0000   11.236   3.7028  ?   ?       ?      ? 
1 1 1  -12   44   13 o   45.538   1.5992  2023.50  141.366  2023.50  141.366   0.0000   0.0000   45.538   1.5992  ?   ?       ?      ? 
1 1 1  -12   44   14 o   77.552   1.6153  5873.01  243.168  5873.01  243.168   0.0000   0.0000   77.552   1.6153  ?   ?       ?      ? 
1 1 1  -12   44   15 o   15.512   3.5413  250.507  104.287  250.507  104.287   0.0000   0.0000   15.512   3.5413  ?   ?       ?      ? 
1 1 1  -12   44   16 o   7.5025   3.3834 -47.6489  104.279 -47.6489  104.279   0.0000   0.0000   7.5025   3.3834  ?   ?       ?      ? 
1 1 1  -12   44   17 o   10.579   3.8951   95.042  105.279   95.042  105.279   0.0000   0.0000   10.579   3.8951  ?   ?       ?      ? 
1 1 1  -12   44   18 o   32.456   1.6935  1035.33  106.696  1035.33  106.696   0.0000   0.0000   32.456   1.6935  ?   ?       ?      ? 
1 1 1  -12   44   19 o   10.760   4.0194  101.162  112.880  101.162  112.880   0.0000   0.0000   10.760   4.0194  ?   ?       ?      ? 
1 1 1  -12   44   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   44   21 o   10.679   4.2638   84.902  133.363   84.902  133.363   0.0000   0.0000   10.679   4.2638  ?   ?       ?      ? 
1 1 1  -12   44   22 f   21.286   1.6091  335.652   34.953  629.883  145.358  317.596   36.009   24.560   3.0489   18.011   1.0299 6.548838 3.218134 
1 1 1  -12   44   23 o   19.960   1.9148  333.498   42.662  525.238  153.997  317.560   44.400   21.966   3.6115   17.953   1.2740 4.013458 3.829632 
1 1 1  -12   44   24 o   20.440   1.3294  413.371   52.745   0.0000   0.0000  413.371   52.745  ?   ?    20.440   1.3294      ?      ? 
1 1 1  -12   45    1 o   15.901   2.2637  260.303   58.232  266.813   66.422  238.682  121.048   16.538   2.0690   15.264   4.0271 1.274875 4.527466 
1 1 1  -12   45    2 o   25.849   1.4623  649.850   59.426  648.488   66.707  655.084  130.814   25.822   1.3308   25.877   2.6042 -0.5550003E-01 2.924530 
1 1 1  -12   45    3 o   16.005   2.2179  288.033   39.988  296.016   42.095  214.252  127.976   17.448   1.2429   14.563   4.2581 2.885465 4.435747 
1 1 1  -12   45    4 o   46.677   0.9220  2208.78   59.037  2248.07   64.199  1993.50  150.273   48.113   0.6874   45.241   1.7111 2.871933 1.844018 
1 1 1  -12   45    5 o   38.194   0.9213  1396.50   47.406  1387.97   51.049  1449.95  127.797   37.805   0.6956   38.583   1.7063 -0.7780952 1.842673 
1 1 1  -12   45    6 f   78.198   0.9268  6068.07  116.792  6167.39  132.928  5731.87  244.568   79.677   0.8594   76.718   1.6422 2.958572 1.853532 
1 1 1  -12   45    7 o  104.738   1.0889 10663.69  221.382 10663.69  221.382   0.0000   0.0000  104.738   1.0889  ?   ?       ?      ? 
1 1 1  -12   45    8 o   48.056   1.5176  2248.42  141.564  2248.42  141.564   0.0000   0.0000   48.056   1.5176  ?   ?       ?      ? 
1 1 1  -12   45    9 o   70.936   1.5477  4901.22  213.112  4901.22  213.112   0.0000   0.0000   70.936   1.5477  ?   ?       ?      ? 
1 1 1  -12   45   10 o   58.478   1.4385  3330.48  163.296  3330.48  163.296   0.0000   0.0000   58.478   1.4385  ?   ?       ?      ? 
1 1 1  -12   45   11 o   7.6387   3.3591 -23.1861   96.297 -23.1861   96.297   0.0000   0.0000   7.6387   3.3591  ?   ?       ?      ? 
1 1 1  -12   45   12 o   34.859   1.8288  1187.78  123.748  1187.78  123.748   0.0000   0.0000   34.859   1.8288  ?   ?       ?      ? 
1 1 1  -12   45   13 o   40.717   1.7015  1620.04  134.488  1620.04  134.488   0.0000   0.0000   40.717   1.7015  ?   ?       ?      ? 
1 1 1  -12   45   14 o   49.638   1.4130  2404.24  136.152  2404.24  136.152   0.0000   0.0000   49.638   1.4130  ?   ?       ?      ? 
1 1 1  -12   45   15 o   11.902   4.1197  133.837  115.964  133.837  115.964   0.0000   0.0000   11.902   4.1197  ?   ?       ?      ? 
1 1 1  -12   45   16 o   22.691   2.1700  507.785   95.580  507.785   95.580   0.0000   0.0000   22.691   2.1700  ?   ?       ?      ? 
1 1 1  -12   45   17 o   19.610   2.9806  386.952  113.456  386.952  113.456   0.0000   0.0000   19.610   2.9806  ?   ?       ?      ? 
1 1 1  -12   45   18 o   14.510   3.8892  227.643  111.774  227.643  111.774   0.0000   0.0000   14.510   3.8892  ?   ?       ?      ? 
1 1 1  -12   45   19 o   25.801   1.9852  661.605   99.426  661.605   99.426   0.0000   0.0000   25.801   1.9852  ?   ?       ?      ? 
1 1 1  -12   45   20 o   19.362   2.9670  384.407  111.514  384.407  111.514   0.0000   0.0000   19.362   2.9670  ?   ?       ?      ? 
1 1 1  -12   45   21 o   16.129   4.3791  299.749  140.634  299.749  140.634   0.0000   0.0000   16.129   4.3791  ?   ?       ?      ? 
1 1 1  -12   45   22 o   8.7254   2.3848   53.680   27.979   53.990  149.218   53.669   28.485   10.253   4.3403   7.1973   1.9778 3.056154 4.769678 
1 1 1  -12   45   23 o   15.492   1.4317  237.788   43.055   0.0000   0.0000  237.788   43.055  ?   ?    15.492   1.4317      ?      ? 
1 1 1  -12   45   24 o   8.1752   2.6067   70.105   46.637   0.0000   0.0000   70.105   46.637  ?   ?    8.1752   2.6067      ?      ? 
1 1 1  -12   46    1 o   65.919   0.9558  4284.60  111.016  4366.94  132.452  4090.16  203.542   67.032   1.0179   64.806   1.6180 2.225243 1.911539 
1 1 1  -12   46    2 o   82.558   1.0108  6743.67  152.188  6972.62  187.469  6301.18  260.625   84.687   1.1404   80.429   1.6693 4.257561 2.021646 
1 1 1  -12   46    3 f   43.541   0.8810  1812.26   55.479  1796.84   60.649  1891.27  137.330   43.012   0.7264   44.069   1.6053 -1.057434 1.762017 
1 1 1  -12   46    4 o   56.641   0.7085  3115.86   77.900  3115.86   77.900   0.0000   0.0000   56.641   0.7085  ?   ?       ?      ? 
1 1 1  -12   46    5 o   23.350   1.5254  546.257   39.674  549.412   41.673  515.714  129.658   23.779   0.9028   22.921   2.9141 0.8578739 3.050703 
1 1 1  -12   46    6 o   31.104   1.2273  972.339   40.921  978.423   42.812  907.980  139.236   31.740   0.6949   30.469   2.3541 1.270514 2.454529 
1 1 1  -12   46    7 o   55.461   0.6829  2987.46   73.518  2987.46   73.518   0.0000   0.0000   55.461   0.6829  ?   ?       ?      ? 
1 1 1  -12   46    8 o   44.338   1.4745  1914.67  126.907  1914.67  126.907   0.0000   0.0000   44.338   1.4745  ?   ?       ?      ? 
1 1 1  -12   46    9 o   45.409   1.4261  2008.60  125.703  2008.60  125.703   0.0000   0.0000   45.409   1.4261  ?   ?       ?      ? 
1 1 1  -12   46   10 o   30.301   1.6524  896.002   97.196  896.002   97.196   0.0000   0.0000   30.301   1.6524  ?   ?       ?      ? 
1 1 1  -12   46   11 o   25.914   2.3243  659.373  116.924  659.373  116.924   0.0000   0.0000   25.914   2.3243  ?   ?       ?      ? 
1 1 1  -12   46   12 o   36.699   1.8043  1317.32  128.541  1317.32  128.541   0.0000   0.0000   36.699   1.8043  ?   ?       ?      ? 
1 1 1  -12   46   13 o   24.663   2.0133  596.789   96.387  596.789   96.387   0.0000   0.0000   24.663   2.0133  ?   ?       ?      ? 
1 1 1  -12   46   14 o   39.981   1.7054  1565.24  132.359  1565.24  132.359   0.0000   0.0000   39.981   1.7054  ?   ?       ?      ? 
1 1 1  -12   46   15 o   21.464   2.6157  457.438  108.983  457.438  108.983   0.0000   0.0000   21.464   2.6157  ?   ?       ?      ? 
1 1 1  -12   46   16 o   31.869   1.9917  1001.29  123.213  1001.29  123.213   0.0000   0.0000   31.869   1.9917  ?   ?       ?      ? 
1 1 1  -12   46   17 o   48.746   1.4791  2330.99  139.964  2330.99  139.964   0.0000   0.0000   48.746   1.4791  ?   ?       ?      ? 
1 1 1  -12   46   18 o   34.578   1.9197  1185.26  128.851  1185.26  128.851   0.0000   0.0000   34.578   1.9197  ?   ?       ?      ? 
1 1 1  -12   46   19 o   14.210   4.1277  223.080  120.613  223.080  120.613   0.0000   0.0000   14.210   4.1277  ?   ?       ?      ? 
1 1 1  -12   46   20 o   6.9026   3.2427 -96.6536  110.698 -96.6536  110.698   0.0000   0.0000   6.9026   3.2427  ?   ?       ?      ? 
1 1 1  -12   46   21 o   12.740   4.0079  181.616  110.547  181.616  110.547   0.0000   0.0000   12.740   4.0079  ?   ?       ?      ? 
1 1 1  -12   46   22 o   27.997   2.4425  803.799  132.739  803.799  132.739   0.0000   0.0000   27.997   2.4425  ?   ?       ?      ? 
1 1 1  -12   46   23 o   6.6717   2.3502   41.718   37.825   0.0000   0.0000   41.718   37.825  ?   ?    6.6717   2.3502      ?      ? 
1 1 1  -12   47    1 o   38.426   1.0800  1363.15   70.189  1291.82   80.370  1592.40  144.085   36.448   1.1360   40.404   1.8371 -3.956188 2.159938 
1 1 1  -12   47    2 o   8.0938   2.4431   12.234   57.783   20.936   64.828 -21.4036  127.451   7.2487   2.9449   8.9388   3.8991 -1.690142 4.886246 
1 1 1  -12   47    3 o   52.534   0.9035  2785.93   70.294  2844.35   77.913  2530.30  162.982   54.112   0.7417   50.956   1.6477 3.156311 1.806957 
1 1 1  -12   47    4 o   64.967   0.8880  4023.60   86.682  3976.80   95.667  4238.25  204.871   63.981   0.7703   65.953   1.6002 -1.971489 1.775965 
1 1 1  -12   47    5 o  111.335   1.1810 12214.69  218.381 12340.16  251.423 11829.21  440.688  112.640   1.1499  110.031   2.0633 2.609383 2.362036 
1 1 1  -12   47    6 o   45.132   0.8656  2042.81   54.308  2070.31   59.155  1895.32  136.993   46.168   0.6601   44.096   1.6004 2.072323 1.731199 
1 1 1  -12   47    7 o   8.9793   1.9543   81.824   33.097   81.824   33.097   0.0000   0.0000   8.9793   1.9543  ?   ?       ?      ? 
1 1 1  -12   47    8 o   56.107   0.8686  3059.86   94.601  3059.86   94.601   0.0000   0.0000   56.107   0.8686  ?   ?       ?      ? 
1 1 1  -12   47    9 o   46.671   1.3520  2122.23  122.492  2122.23  122.492   0.0000   0.0000   46.671   1.3520  ?   ?       ?      ? 
1 1 1  -12   47   10 o   20.371   2.7522  409.567  108.831  409.567  108.831   0.0000   0.0000   20.371   2.7522  ?   ?       ?      ? 
1 1 1  -12   47   11 o   50.161   1.5540  2456.58  151.312  2456.58  151.312   0.0000   0.0000   50.161   1.5540  ?   ?       ?      ? 
1 1 1  -12   47   12 f   52.334   1.4324  2673.25  145.517  2673.25  145.517   0.0000   0.0000   52.334   1.4324  ?   ?       ?      ? 
1 1 1  -12   47   13 o   12.273   3.7676  153.563   98.367  153.563   98.367   0.0000   0.0000   12.273   3.7676  ?   ?       ?      ? 
1 1 1  -12   47   14 o   15.158   3.8431  242.748  113.240  242.748  113.240   0.0000   0.0000   15.158   3.8431  ?   ?       ?      ? 
1 1 1  -12   47   15 o   19.736   2.5642  387.697   98.237  387.697   98.237   0.0000   0.0000   19.736   2.5642  ?   ?       ?      ? 
1 1 1  -12   47   16 o   20.409   2.8576  419.972  113.209  419.972  113.209   0.0000   0.0000   20.409   2.8576  ?   ?       ?      ? 
1 1 1  -12   47   17 o   17.949   3.3234  340.568  111.529  340.568  111.529   0.0000   0.0000   17.949   3.3234  ?   ?       ?      ? 
1 1 1  -12   47   18 o   8.7772   3.3720   59.461   80.759   59.461   80.759   0.0000   0.0000   8.7772   3.3720  ?   ?       ?      ? 
1 1 1  -12   47   19 o   11.360   4.0375  129.062  111.876  129.062  111.876   0.0000   0.0000   11.360   4.0375  ?   ?       ?      ? 
1 1 1  -12   47   20 o   13.579   4.2638  208.812  125.181  208.812  125.181   0.0000   0.0000   13.579   4.2638  ?   ?       ?      ? 
1 1 1  -12   47   21 o   17.894   3.7685  360.024  126.765  360.024  126.765   0.0000   0.0000   17.894   3.7685  ?   ?       ?      ? 
1 1 1  -12   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   48    1 o   37.185   1.0233  1374.06   67.590  1416.62   81.373  1279.39  121.379   38.162   1.0985   36.208   1.7269 1.953690 2.046663 
1 1 1  -12   48    2 o   43.740   0.8895  1914.19   58.114  1944.97   64.482  1781.01  134.122   44.743   0.7424   42.736   1.6167 2.006695 1.779044 
1 1 1  -12   48    3 o   18.833   1.3526  295.153   41.953  256.583   46.879  450.284   94.016   16.227   1.4883   21.440   2.2590 -5.213556 2.705164 
1 1 1  -12   48    4 o   45.229   0.8828  2018.05   58.844  2032.76   64.899  1950.08  139.505   45.742   0.7309   44.717   1.6071 1.024658 1.765541 
1 1 1  -12   48    5 f   28.686   1.1240  787.422   42.470  782.040   45.539  823.366  117.686   28.367   0.8270   29.004   2.0902 -0.6373138 2.247901 
1 1 1  -12   48    6 o   33.464   0.9122  1094.92   46.093  1097.55   51.121  1083.52  106.572   33.607   0.7836   33.321   1.6476 0.2857819 1.824489 
1 1 1  -12   48    7 o   18.302   0.9851  325.791   35.000  325.791   35.000   0.0000   0.0000   18.302   0.9851  ?   ?       ?      ? 
1 1 1  -12   48    8 o   30.426   0.5947  899.212   35.123  899.212   35.123   0.0000   0.0000   30.426   0.5947  ?   ?       ?      ? 
1 1 1  -12   48    9 o   56.898   1.4875  3158.53  164.297  3158.53  164.297   0.0000   0.0000   56.898   1.4875  ?   ?       ?      ? 
1 1 1  -12   48   10 o   10.983   3.9790  103.651  109.228  103.651  109.228   0.0000   0.0000   10.983   3.9790  ?   ?       ?      ? 
1 1 1  -12   48   11 o   41.036   1.5984  1646.26  127.323  1646.26  127.323   0.0000   0.0000   41.036   1.5984  ?   ?       ?      ? 
1 1 1  -12   48   12 o   19.398   2.5179  372.422   94.814  372.422   94.814   0.0000   0.0000   19.398   2.5179  ?   ?       ?      ? 
1 1 1  -12   48   13 o   16.771   3.4442  293.312  108.373  293.312  108.373   0.0000   0.0000   16.771   3.4442  ?   ?       ?      ? 
1 1 1  -12   48   14 o   36.345   1.5812  1294.50  111.558  1294.50  111.558   0.0000   0.0000   36.345   1.5812  ?   ?       ?      ? 
1 1 1  -12   48   15 f   19.160   3.1231  372.598  116.158  372.598  116.158   0.0000   0.0000   19.160   3.1231  ?   ?       ?      ? 
1 1 1  -12   48   16 o   8.3287   3.3264   41.620   81.190   41.620   81.190   0.0000   0.0000   8.3287   3.3264  ?   ?       ?      ? 
1 1 1  -12   48   17 o   20.033   2.8769  409.563  111.877  409.563  111.877   0.0000   0.0000   20.033   2.8769  ?   ?       ?      ? 
1 1 1  -12   48   18 o   30.636   2.1233  937.797  126.271  937.797  126.271   0.0000   0.0000   30.636   2.1233  ?   ?       ?      ? 
1 1 1  -12   48   19 o   12.160   3.7983  161.545   99.486  161.545   99.486   0.0000   0.0000   12.160   3.7983  ?   ?       ?      ? 
1 1 1  -12   48   20 o   12.084   3.9377  161.392  106.027  161.392  106.027   0.0000   0.0000   12.084   3.9377  ?   ?       ?      ? 
1 1 1  -12   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   49    1 o   14.824   2.3332  180.475   58.036  135.061   65.767  340.282  123.370   11.476   2.9393   18.173   3.6243 -6.697549 4.666374 
1 1 1  -12   49    2 o   23.031   1.5053  519.474   45.306  519.383   48.600  520.077  125.181   23.104   1.0836   22.958   2.8089 0.1458626 3.010671 
1 1 1  -12   49    3 f   48.242   0.9381  2267.23   64.314  2267.22   70.162  2267.25  160.910   48.303   0.7483   48.181   1.7204 0.1214828 1.876124 
1 1 1  -12   49    4 o   35.217   1.0767  1196.86   49.746  1192.31   53.342  1227.23  137.831   35.026   0.7845   35.407   2.0054 -0.3808098 2.153373 
1 1 1  -12   49    5 o   39.780   0.9898  1568.71   51.815  1578.43   55.729  1506.75  140.748   40.305   0.7123   39.255   1.8471 1.049702 1.979655 
1 1 1  -12   49    6 o   45.780   0.6833  2036.31   60.725  2036.31   60.725   0.0000   0.0000   45.780   0.6833  ?   ?       ?      ? 
1 1 1  -12   49    7 o   16.558   1.0916  266.861   35.087  266.861   35.087   0.0000   0.0000   16.558   1.0916  ?   ?       ?      ? 
1 1 1  -12   49    8 o   54.319   0.6733  2867.05   70.995  2867.05   70.995   0.0000   0.0000   54.319   0.6733  ?   ?       ?      ? 
1 1 1  -12   49    9 o   29.632   2.0066  861.607  115.424  861.607  115.424   0.0000   0.0000   29.632   2.0066  ?   ?       ?      ? 
1 1 1  -12   49   10 o   14.717   3.6276  226.692  102.971  226.692  102.971   0.0000   0.0000   14.717   3.6276  ?   ?       ?      ? 
1 1 1  -12   49   11 o   9.1238   3.5847   52.550   92.866   52.550   92.866   0.0000   0.0000   9.1238   3.5847  ?   ?       ?      ? 
1 1 1  -12   49   12 o   20.848   2.7392  432.789  110.856  432.789  110.856   0.0000   0.0000   20.848   2.7392  ?   ?       ?      ? 
1 1 1  -12   49   13 o   8.6288   3.5810   25.753   98.551   25.753   98.551   0.0000   0.0000   8.6288   3.5810  ?   ?       ?      ? 
1 1 1  -12   49   14 f   15.039   3.6286  241.632  104.713  241.632  104.713   0.0000   0.0000   15.039   3.6286  ?   ?       ?      ? 
1 1 1  -12   49   15 o   34.657   1.7327  1184.55  116.567  1184.55  116.567   0.0000   0.0000   34.657   1.7327  ?   ?       ?      ? 
1 1 1  -12   49   16 o   30.880   1.9782  947.887  118.579  947.887  118.579   0.0000   0.0000   30.880   1.9782  ?   ?       ?      ? 
1 1 1  -12   49   17 o   16.909   2.5507  289.040   83.724  289.040   83.724   0.0000   0.0000   16.909   2.5507  ?   ?       ?      ? 
1 1 1  -12   49   18 o   17.118   3.6469  321.625  117.475  321.625  117.475   0.0000   0.0000   17.118   3.6469  ?   ?       ?      ? 
1 1 1  -12   49   19 o   16.249   4.0091  300.809  125.678  300.809  125.678   0.0000   0.0000   16.249   4.0091  ?   ?       ?      ? 
1 1 1  -12   49   20 o   28.595   2.4070  836.890  133.607  836.890  133.607   0.0000   0.0000   28.595   2.4070  ?   ?       ?      ? 
1 1 1  -12   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   50    1 o   17.218   1.9620  291.986   57.484  284.609   67.663  311.123  108.981   17.039   2.0457   17.398   3.3484 -0.3592644 3.923902 
1 1 1  -12   50    2 o   25.710   1.2143  628.042   46.152  618.522   50.674  674.355  111.768   25.212   1.0354   26.209   2.1969 -0.9966812 2.428665 
1 1 1  -12   50    3 f   47.789   0.8431  2193.81   61.458  2175.40   68.190  2273.47  141.848   47.311   0.7425   48.266   1.5140 -0.9543686 1.686241 
1 1 1  -12   50    4 o   28.272   0.9607  766.005   42.185  757.336   47.047  801.557   95.276   27.908   0.8684   28.635   1.7140 -0.7273102 1.921473 
1 1 1  -12   50    5 o   29.940   0.9218  833.284   42.758  808.124   47.442  942.146   98.684   28.829   0.8477   31.052   1.6372 -2.222832 1.843630 
1 1 1  -12   50    6 o   33.027   0.7324  1060.18   46.955  1060.18   46.955   0.0000   0.0000   33.027   0.7324  ?   ?       ?      ? 
1 1 1  -12   50    7 o   45.250   0.6725  1989.83   59.068  1989.83   59.068   0.0000   0.0000   45.250   0.6725  ?   ?       ?      ? 
1 1 1  -12   50    8 o   18.280   0.9159  325.136   32.499  325.136   32.499   0.0000   0.0000   18.280   0.9159  ?   ?       ?      ? 
1 1 1  -12   50    9 o   31.392   1.8307  966.419  111.559  966.419  111.559   0.0000   0.0000   31.392   1.8307  ?   ?       ?      ? 
1 1 1  -12   50   10 o   34.211   1.6634  1146.31  110.463  1146.31  110.463   0.0000   0.0000   34.211   1.6634  ?   ?       ?      ? 
1 1 1  -12   50   11 o   14.581   3.7535  224.707  106.869  224.707  106.869   0.0000   0.0000   14.581   3.7535  ?   ?       ?      ? 
1 1 1  -12   50   12 o   31.523   1.8671  978.190  114.252  978.190  114.252   0.0000   0.0000   31.523   1.8671  ?   ?       ?      ? 
1 1 1  -12   50   13 o   28.569   1.7853  804.242   99.005  804.242   99.005   0.0000   0.0000   28.569   1.7853  ?   ?       ?      ? 
1 1 1  -12   50   14 o   8.4954   3.6664   2.8756  110.271   2.8756  110.271   0.0000   0.0000   8.4954   3.6664  ?   ?       ?      ? 
1 1 1  -12   50   15 f   18.161   2.6105  333.516   92.026  333.516   92.026   0.0000   0.0000   18.161   2.6105  ?   ?       ?      ? 
1 1 1  -12   50   16 o   13.891   3.8978  211.822  109.385  211.822  109.385   0.0000   0.0000   13.891   3.8978  ?   ?       ?      ? 
1 1 1  -12   50   17 o   15.804   3.7873  276.664  114.674  276.664  114.674   0.0000   0.0000   15.804   3.7873  ?   ?       ?      ? 
1 1 1  -12   50   18 o   8.5916   3.5911   32.597  100.124   32.597  100.124   0.0000   0.0000   8.5916   3.5911  ?   ?       ?      ? 
1 1 1  -12   50   19 o   18.755   3.0335  370.149  110.444  370.149  110.444   0.0000   0.0000   18.755   3.0335  ?   ?       ?      ? 
1 1 1  -12   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   51    1 o   40.501   1.0393  1636.39   70.053  1670.83   80.972  1533.88  139.683   41.432   1.0068   39.570   1.8185 1.861343 2.078591 
1 1 1  -12   51    2 o   14.253   2.2589  247.286   44.792  264.283   48.013  133.221  124.380   16.449   1.5036   12.058   4.2602 4.391792 4.517728 
1 1 1  -12   51    3 o   10.374   2.2320  118.979   42.969  134.107   45.903   11.840  122.157   11.504   2.1342   9.2439   3.9208 2.259779 4.463998 
1 1 1  -12   51    4 f   15.025   2.1960  244.929   42.094  250.532   44.906  204.354  120.843   16.019   1.4442   14.031   4.1478 1.988210 4.391984 
1 1 1  -12   51    5 o   15.913   2.1098  251.288   41.108  249.643   43.655  264.172  122.135   15.991   1.4063   15.835   3.9784 0.1563835 4.219625 
1 1 1  -12   51    6 o   4.5019   2.0355 -20.5206   38.031 -20.5206   38.031   0.0000   0.0000   4.5019   2.0355  ?   ?       ?      ? 
1 1 1  -12   51    7 o   20.677   0.9788  416.205   39.288  416.205   39.288   0.0000   0.0000   20.677   0.9788  ?   ?       ?      ? 
1 1 1  -12   51    8 o   11.945   1.4139  139.402   32.786  139.402   32.786   0.0000   0.0000   11.945   1.4139  ?   ?       ?      ? 
1 1 1  -12   51    9 o   48.136   0.8147  2254.07   76.127  2254.07   76.127   0.0000   0.0000   48.136   0.8147  ?   ?       ?      ? 
1 1 1  -12   51   10 o   54.828   1.4411  2940.72  153.376  2940.72  153.376   0.0000   0.0000   54.828   1.4411  ?   ?       ?      ? 
1 1 1  -12   51   11 o   21.134   2.6430  446.641  108.428  446.641  108.428   0.0000   0.0000   21.134   2.6430  ?   ?       ?      ? 
1 1 1  -12   51   12 o   7.1811   3.1881 -23.6015   88.758 -23.6015   88.758   0.0000   0.0000   7.1811   3.1881  ?   ?       ?      ? 
1 1 1  -12   51   13 o   12.606   3.9979  168.265  109.816  168.265  109.816   0.0000   0.0000   12.606   3.9979  ?   ?       ?      ? 
1 1 1  -12   51   14 o   24.260   2.0198  585.631   95.119  585.631   95.119   0.0000   0.0000   24.260   2.0198  ?   ?       ?      ? 
1 1 1  -12   51   15 o   19.160   2.9544  375.929  109.885  375.929  109.885   0.0000   0.0000   19.160   2.9544  ?   ?       ?      ? 
1 1 1  -12   51   16 o   34.126   1.4790  1147.94   97.976  1147.94   97.976   0.0000   0.0000   34.126   1.4790  ?   ?       ?      ? 
1 1 1  -12   51   17 o   17.318   3.5221  328.963  114.372  328.963  114.372   0.0000   0.0000   17.318   3.5221  ?   ?       ?      ? 
1 1 1  -12   51   18 o   18.629   3.5027  382.268  122.017  382.268  122.017   0.0000   0.0000   18.629   3.5027  ?   ?       ?      ? 
1 1 1  -12   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   52    1 f   36.411   0.9523  1260.27   52.055  1241.23   57.400  1348.44  123.536   35.722   0.8278   37.100   1.7154 -1.378120 1.904636 
1 1 1  -12   52    2 o   12.102   2.1361  174.604   44.773  196.304   49.294   72.304  107.029   14.150   1.7947   10.055   3.8769 4.094270 4.272129 
1 1 1  -12   52    3 o   22.845   1.3508  505.662   44.610  502.305   48.807  522.698  109.957   22.705   1.1074   22.986   2.4643 -0.2808590 2.701699 
1 1 1  -12   52    4 o   8.2656   2.2808   37.729   39.993   31.981   43.318   70.923  104.096   6.5964   2.4848   9.9349   3.8254 -3.338548 4.561574 
1 1 1  -12   52    5 o   9.5971   2.1473   94.880   38.536  104.022   41.632   40.173  101.838   10.085   2.1895   9.1097   3.6945 0.9748287 4.294546 
1 1 1  -12   52    6 o   33.069   0.7624  1063.46   48.943  1063.46   48.943   0.0000   0.0000   33.069   0.7624  ?   ?       ?      ? 
1 1 1  -12   52    7 o   19.710   0.9629  378.297   36.843  378.297   36.843   0.0000   0.0000   19.710   0.9629  ?   ?       ?      ? 
1 1 1  -12   52    8 o   37.752   0.6534  1385.50   47.881  1385.50   47.881   0.0000   0.0000   37.752   0.6534  ?   ?       ?      ? 
1 1 1  -12   52    9 o   29.611   0.6458  852.528   37.121  852.528   37.121   0.0000   0.0000   29.611   0.6458  ?   ?       ?      ? 
1 1 1  -12   52   10 o   18.639   3.0248  351.559  109.442  351.559  109.442   0.0000   0.0000   18.639   3.0248  ?   ?       ?      ? 
1 1 1  -12   52   11 o   17.049   3.0889  303.659   98.462  303.659   98.462   0.0000   0.0000   17.049   3.0889  ?   ?       ?      ? 
1 1 1  -12   52   12 o   14.478   3.5172  225.650   97.870  225.650   97.870   0.0000   0.0000   14.478   3.5172  ?   ?       ?      ? 
1 1 1  -12   52   13 o   17.941   3.3728  343.195  113.152  343.195  113.152   0.0000   0.0000   17.941   3.3728  ?   ?       ?      ? 
1 1 1  -12   52   14 o   6.1685   2.9234 -100.5825   93.655 -100.5825   93.655   0.0000   0.0000   6.1685   2.9234  ?   ?       ?      ? 
1 1 1  -12   52   15 o   17.704   3.2541  335.133  107.708  335.133  107.708   0.0000   0.0000   17.704   3.2541  ?   ?       ?      ? 
1 1 1  -12   52   16 o   7.9399   3.5773 -33.7611  116.257 -33.7611  116.257   0.0000   0.0000   7.9399   3.5773  ?   ?       ?      ? 
1 1 1  -12   52   17 o   26.769   2.0649  721.761  107.300  721.761  107.300   0.0000   0.0000   26.769   2.0649  ?   ?       ?      ? 
1 1 1  -12   52   18 o   16.452   3.5815  304.099  111.136  304.099  111.136   0.0000   0.0000   16.452   3.5815  ?   ?       ?      ? 
1 1 1  -12   52   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   53    1 o   23.627   1.4691  537.124   47.444  531.818   51.224  569.145  125.834   23.354   1.1299   23.900   2.7123 -0.5456161 2.938249 
1 1 1  -12   53    2 o   30.254   1.2270  913.859   47.884  919.431   51.337  876.562  132.818   30.737   0.8604   29.771   2.2982 0.9662571 2.454022 
1 1 1  -12   53    3 o   11.731   2.4245  114.271   42.511  104.893   45.278  184.023  123.488   10.099   2.3533   13.363   4.2397 -3.264079 4.849005 
1 1 1  -12   53    4 o   10.290   2.4193   82.235   41.411   73.962   44.278  139.983  116.985   8.5505   2.5059   12.030   4.1393 -3.479809 4.838691 
1 1 1  -12   53    5 o   26.717   1.0805  698.700   41.656  698.595   45.623  699.225  102.141   26.789   0.8773   26.644   1.9748 0.1451168 2.160934 
1 1 1  -12   53    6 o   16.566   1.2839  268.123   41.288  268.123   41.288   0.0000   0.0000   16.566   1.2839  ?   ?       ?      ? 
1 1 1  -12   53    7 o   13.909   1.3818  189.318   37.311  189.318   37.311   0.0000   0.0000   13.909   1.3818  ?   ?       ?      ? 
1 1 1  -12   53    8 o   8.3880   2.1942   72.355   36.136   72.355   36.136   0.0000   0.0000   8.3880   2.1942  ?   ?       ?      ? 
1 1 1  -12   53    9 o   23.178   0.7465  522.874   33.585  522.874   33.585   0.0000   0.0000   23.178   0.7465  ?   ?       ?      ? 
1 1 1  -12   53   10 o   16.040   3.3958  273.867  102.440  273.867  102.440   0.0000   0.0000   16.040   3.3958  ?   ?       ?      ? 
1 1 1  -12   53   11 o   21.665   2.1306  467.892   89.603  467.892   89.603   0.0000   0.0000   21.665   2.1306  ?   ?       ?      ? 
1 1 1  -12   53   12 o   25.696   2.2427  660.964  111.867  660.964  111.867   0.0000   0.0000   25.696   2.2427  ?   ?       ?      ? 
1 1 1  -12   53   13 o   10.506   3.7414  106.491   96.115  106.491   96.115   0.0000   0.0000   10.506   3.7414  ?   ?       ?      ? 
1 1 1  -12   53   14 o   8.2394   3.5975  -2.5523  108.728  -2.5523  108.728   0.0000   0.0000   8.2394   3.5975  ?   ?       ?      ? 
1 1 1  -12   53   15 o   9.6955   3.6713   82.807   94.863   82.807   94.863   0.0000   0.0000   9.6955   3.6713  ?   ?       ?      ? 
1 1 1  -12   53   16 f   25.045   2.4317  640.479  118.221  640.479  118.221   0.0000   0.0000   25.045   2.4317  ?   ?       ?      ? 
1 1 1  -12   53   17 o   10.124   4.0402   83.895  119.688   83.895  119.688   0.0000   0.0000   10.124   4.0402  ?   ?       ?      ? 
1 1 1  -12   53   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   53   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   54    1 o   9.5800   2.3386   53.542   44.668   28.932   49.527  160.833  103.409   6.7303   2.6254   12.430   3.8708 -5.699343 4.677170 
1 1 1  -12   54    2 o   40.855   0.8339  1649.25   55.882  1666.55   63.988  1593.64  114.712   41.380   0.7966   40.330   1.4653 1.049114 1.667801 
1 1 1  -12   54    3 o   10.361   2.3090  101.827   41.772  101.469   45.274  103.871  108.317   9.9081   2.3831   10.814   3.9556 -0.9058437 4.617971 
1 1 1  -12   54    4 o   18.082   1.8291  324.811   43.424  322.121   46.909  340.929  114.804   18.145   1.3318   18.018   3.4072 0.1267700 3.658193 
1 1 1  -12   54    5 f   16.617   1.3393  270.250   43.201  270.250   43.201   0.0000   0.0000   16.617   1.3393  ?   ?       ?      ? 
1 1 1  -12   54    6 o   47.511   0.7005  2196.12   64.604  2196.12   64.604   0.0000   0.0000   47.511   0.7005  ?   ?       ?      ? 
1 1 1  -12   54    7 o   14.510   1.4817  206.620   41.734  206.620   41.734   0.0000   0.0000   14.510   1.4817  ?   ?       ?      ? 
1 1 1  -12   54    8 o   14.761   1.3054  213.421   37.404  213.421   37.404   0.0000   0.0000   14.761   1.3054  ?   ?       ?      ? 
1 1 1  -12   54    9 o   15.630   1.1272  238.870   34.201  238.870   34.201   0.0000   0.0000   15.630   1.1272  ?   ?       ?      ? 
1 1 1  -12   54   10 o   9.5842   3.6601   74.582   94.791   74.582   94.791   0.0000   0.0000   9.5842   3.6601  ?   ?       ?      ? 
1 1 1  -12   54   11 o   35.367   1.8051  1238.73  123.926  1238.73  123.926   0.0000   0.0000   35.367   1.8051  ?   ?       ?      ? 
1 1 1  -12   54   12 o   32.028   1.7892  1016.76  111.239  1016.76  111.239   0.0000   0.0000   32.028   1.7892  ?   ?       ?      ? 
1 1 1  -12   54   13 o   13.634   3.8032  206.174  104.462  206.174  104.462   0.0000   0.0000   13.634   3.8032  ?   ?       ?      ? 
1 1 1  -12   54   14 o   16.710   3.3742  304.167  105.680  304.167  105.680   0.0000   0.0000   16.710   3.3742  ?   ?       ?      ? 
1 1 1  -12   54   15 o   21.820   2.8030  494.127  118.724  494.127  118.724   0.0000   0.0000   21.820   2.8030  ?   ?       ?      ? 
1 1 1  -12   54   16 o   39.373   1.5609  1539.83  119.298  1539.83  119.298   0.0000   0.0000   39.373   1.5609  ?   ?       ?      ? 
1 1 1  -12   54   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   54   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   55    1 o   24.686   1.4674  657.810   50.343  684.716   55.331  528.448  121.325   26.480   1.0764   22.891   2.7304 3.589378 2.934897 
1 1 1  -12   55    2 o   29.774   1.2037  835.018   49.322  819.521   53.219  929.365  131.314   28.990   0.9457   30.557   2.2138 -1.566290 2.407330 
1 1 1  -12   55    3 o   13.461   2.3032  166.590   44.309  158.490   47.483  221.186  123.271   12.656   1.9328   14.266   4.1812 -1.610522 4.606360 
1 1 1  -12   55    4 o   14.742   2.1952  231.584   42.338  234.070   45.261  214.178  119.762   15.436   1.5105   14.048   4.1224 1.388309 4.390465 
1 1 1  -12   55    5 o   8.0438   2.4842   65.066   42.692   65.066   42.692   0.0000   0.0000   8.0438   2.4842  ?   ?       ?      ? 
1 1 1  -12   55    6 o   11.946   1.8599  141.240   43.131  141.240   43.131   0.0000   0.0000   11.946   1.8599  ?   ?       ?      ? 
1 1 1  -12   55    7 o   36.691   0.7557  1311.07   53.821  1311.07   53.821   0.0000   0.0000   36.691   0.7557  ?   ?       ?      ? 
1 1 1  -12   55    8 o   21.618   0.9798  456.292   41.115  456.292   41.115   0.0000   0.0000   21.618   0.9798  ?   ?       ?      ? 
1 1 1  -12   55    9 o   29.042   0.7972  821.861   44.942  821.861   44.942   0.0000   0.0000   29.042   0.7972  ?   ?       ?      ? 
1 1 1  -12   55   10 o   13.855   3.7310  209.957  102.582  209.957  102.582   0.0000   0.0000   13.855   3.7310  ?   ?       ?      ? 
1 1 1  -12   55   11 f   29.865   2.0837  891.836  120.796  891.836  120.796   0.0000   0.0000   29.865   2.0837  ?   ?       ?      ? 
1 1 1  -12   55   12 o   7.9390   3.3600   17.833   89.401   17.833   89.401   0.0000   0.0000   7.9390   3.3600  ?   ?       ?      ? 
1 1 1  -12   55   13 o   15.597   3.6265  270.389  107.722  270.389  107.722   0.0000   0.0000   15.597   3.6265  ?   ?       ?      ? 
1 1 1  -12   55   14 o   11.066   3.7363  130.998   95.260  130.998   95.260   0.0000   0.0000   11.066   3.7363  ?   ?       ?      ? 
1 1 1  -12   55   15 o   11.487   4.0869  141.929  114.660  141.929  114.660   0.0000   0.0000   11.487   4.0869  ?   ?       ?      ? 
1 1 1  -12   55   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   55   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   56    1 o   11.473   2.3113   94.457   48.179   55.119   53.993  248.156  106.726   7.8460   2.8031   15.100   3.6757 -7.253525 4.622609 
1 1 1  -12   56    2 o   30.801   0.9930  941.101   50.158  949.445   57.426  914.260  103.001   31.191   0.9485   30.410   1.7448 0.7805882 1.985955 
1 1 1  -12   56    3 o   25.730   1.3199  681.831   54.949  704.948   63.029  608.612  112.173   26.830   1.2102   24.630   2.3462 2.200357 2.639897 
1 1 1  -12   56    4 o   17.919   1.9870  330.993   44.657  330.853   47.925  331.916  123.034   18.361   1.3446   17.477   3.7396 0.8842030 3.974039 
1 1 1  -12   56    5 o   6.7745   2.5421   35.865   45.253   35.865   45.253   0.0000   0.0000   6.7745   2.5421  ?   ?       ?      ? 
1 1 1  -12   56    6 f   18.952   1.2534  352.021   46.110  352.021   46.110   0.0000   0.0000   18.952   1.2534  ?   ?       ?      ? 
1 1 1  -12   56    7 o   31.744   0.8117  982.083   50.017  982.083   50.017   0.0000   0.0000   31.744   0.8117  ?   ?       ?      ? 
1 1 1  -12   56    8 o   14.267   1.4108  200.087   39.071  200.087   39.071   0.0000   0.0000   14.267   1.4108  ?   ?       ?      ? 
1 1 1  -12   56    9 o   27.385   0.7695  730.820   40.903  730.820   40.903   0.0000   0.0000   27.385   0.7695  ?   ?       ?      ? 
1 1 1  -12   56   10 o   15.590   1.0068  237.671   30.470  237.671   30.470   0.0000   0.0000   15.590   1.0068  ?   ?       ?      ? 
1 1 1  -12   56   11 o   38.996   1.5474  1503.98  117.135  1503.98  117.135   0.0000   0.0000   38.996   1.5474  ?   ?       ?      ? 
1 1 1  -12   56   12 o   11.137   4.0038  127.014  110.320  127.014  110.320   0.0000   0.0000   11.137   4.0038  ?   ?       ?      ? 
1 1 1  -12   56   13 o   13.600   3.5912  207.575   96.212  207.575   96.212   0.0000   0.0000   13.600   3.5912  ?   ?       ?      ? 
1 1 1  -12   56   14 o   24.018   2.4748  593.485  115.387  593.485  115.387   0.0000   0.0000   24.018   2.4748  ?   ?       ?      ? 
1 1 1  -12   56   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   56   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   57    1 o   37.456   1.0492  1332.39   59.353  1304.71   65.505  1459.31  140.286   36.565   0.9229   38.346   1.8846 -1.780594 2.098463 
1 1 1  -12   57    2 o   27.128   1.3243  648.826   53.035  609.407   57.704  863.260  134.585   24.946   1.1916   29.309   2.3655 -4.363693 2.648701 
1 1 1  -12   57    3 o   12.007   2.4933  127.813   47.476  116.197   51.216  198.748  126.558   10.528   2.5362   13.487   4.2934 -2.958652 4.986569 
1 1 1  -12   57    4 o   7.0189   2.0342   25.225   42.087   45.290   47.282 -51.3399   92.361   7.2319   2.6183   6.8059   3.1140 0.4259758 4.068472 
1 1 1  -12   57    5 o   14.915   1.6198  219.601   46.899  219.601   46.899   0.0000   0.0000   14.915   1.6198  ?   ?       ?      ? 
1 1 1  -12   57    6 o   16.580   1.4335  270.519   46.136  270.519   46.136   0.0000   0.0000   16.580   1.4335  ?   ?       ?      ? 
1 1 1  -12   57    7 o   7.2094   2.4818   48.801   42.059   48.801   42.059   0.0000   0.0000   7.2094   2.4818  ?   ?       ?      ? 
1 1 1  -12   57    8 o   19.238   1.0851  362.370   40.522  362.370   40.522   0.0000   0.0000   19.238   1.0851  ?   ?       ?      ? 
1 1 1  -12   57    9 o   6.8564   2.3074   45.126   36.329   45.126   36.329   0.0000   0.0000   6.8564   2.3074  ?   ?       ?      ? 
1 1 1  -12   57   10 o   25.020   0.7268  610.245   35.300  610.245   35.300   0.0000   0.0000   25.020   0.7268  ?   ?       ?      ? 
1 1 1  -12   57   11 o   23.983   2.3216  584.676  108.082  584.676  108.082   0.0000   0.0000   23.983   2.3216  ?   ?       ?      ? 
1 1 1  -12   57   12 o   11.194   4.0018  131.756  110.057  131.756  110.057   0.0000   0.0000   11.194   4.0018  ?   ?       ?      ? 
1 1 1  -12   57   13 o   7.4336   3.3171 -17.3433   97.363 -17.3433   97.363   0.0000   0.0000   7.4336   3.3171  ?   ?       ?      ? 
1 1 1  -12   57   14 o   7.3787   3.3608 -37.3880  106.025 -37.3880  106.025   0.0000   0.0000   7.3787   3.3608  ?   ?       ?      ? 
1 1 1  -12   57   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   58    1 o   38.872   1.0405  1520.55   62.211  1541.45   69.653  1438.12  138.325   39.734   0.9031   38.009   1.8748 1.724503 2.080925 
1 1 1  -12   58    2 o   20.121   1.3874  390.253   48.394  374.276   56.383  434.956   94.310   19.481   1.4910   20.761   2.3401 -1.280529 2.774717 
1 1 1  -12   58    3 o   8.4271   2.4305   29.081   49.941   16.714   55.099   86.016  118.221   6.5155   2.6886   10.339   4.0498 -3.823256 4.861004 
1 1 1  -12   58    4 o   7.7404   2.6978   56.240   49.771   56.240   49.771   0.0000   0.0000   7.7404   2.6978  ?   ?       ?      ? 
1 1 1  -12   58    5 o   6.3890   2.5231   25.471   46.227   25.471   46.227   0.0000   0.0000   6.3890   2.5231  ?   ?       ?      ? 
1 1 1  -12   58    6 o   4.8050   2.1850 -24.3048   44.584 -24.3048   44.584   0.0000   0.0000   4.8050   2.1850  ?   ?       ?      ? 
1 1 1  -12   58    7 f   13.671   1.6135  185.205   42.819  185.205   42.819   0.0000   0.0000   13.671   1.6135  ?   ?       ?      ? 
1 1 1  -12   58    8 o   8.3209   2.4247   72.122   41.562   72.122   41.562   0.0000   0.0000   8.3209   2.4247  ?   ?       ?      ? 
1 1 1  -12   58    9 o   5.4015   2.2394   9.8018   38.485   9.8018   38.485   0.0000   0.0000   5.4015   2.2394  ?   ?       ?      ? 
1 1 1  -12   58   10 o   11.797   1.4325  137.599   32.803  137.599   32.803   0.0000   0.0000   11.797   1.4325  ?   ?       ?      ? 
1 1 1  -12   58   11 o   21.381   2.7735  476.689  115.111  476.689  115.111   0.0000   0.0000   21.381   2.7735  ?   ?       ?      ? 
1 1 1  -12   58   12 o   7.8303   3.3912   9.2858   94.997   9.2858   94.997   0.0000   0.0000   7.8303   3.3912  ?   ?       ?      ? 
1 1 1  -12   58   13 o   7.9101   3.5534 -18.7155  113.735 -18.7155  113.735   0.0000   0.0000   7.9101   3.5534  ?   ?       ?      ? 
1 1 1  -12   58   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   59    1 o   29.802   1.2549  842.092   57.024  816.969   63.025  955.474  133.892   28.862   1.1249   30.742   2.2436 -1.880291 2.509866 
1 1 1  -12   59    2 o   33.931   1.1916  1105.10   58.885  1085.77   64.420  1203.37  145.209   33.311   0.9963   34.551   2.1651 -1.240211 2.383281 
1 1 1  -12   59    3 o   8.9329   2.4367   67.159   51.034   75.067   55.877   27.371  125.331   8.6323   2.8608   9.2334   3.9454 -0.6010065 4.873396 
1 1 1  -12   59    4 o   25.380   1.0749  631.200   52.954  631.200   52.954   0.0000   0.0000   25.380   1.0749  ?   ?       ?      ? 
1 1 1  -12   59    5 o   7.6845   2.6029   57.587   46.232   57.587   46.232   0.0000   0.0000   7.6845   2.6029  ?   ?       ?      ? 
1 1 1  -12   59    6 o   14.048   1.6945  196.299   46.207  196.299   46.207   0.0000   0.0000   14.048   1.6945  ?   ?       ?      ? 
1 1 1  -12   59    7 o   23.228   1.0471  528.786   47.213  528.786   47.213   0.0000   0.0000   23.228   1.0471  ?   ?       ?      ? 
1 1 1  -12   59    8 o   17.028   1.3264  285.993   43.845  285.993   43.845   0.0000   0.0000   17.028   1.3264  ?   ?       ?      ? 
1 1 1  -12   59    9 f   9.0862   2.2912   87.302   40.404   87.302   40.404   0.0000   0.0000   9.0862   2.2912  ?   ?       ?      ? 
1 1 1  -12   59   10 o   25.848   2.2694  682.411  113.869  682.411  113.869   0.0000   0.0000   25.848   2.2694  ?   ?       ?      ? 
1 1 1  -12   59   11 o   21.004   2.6188  460.188  106.773  460.188  106.773   0.0000   0.0000   21.004   2.6188  ?   ?       ?      ? 
1 1 1  -12   59   12 o   12.161   3.9398  172.969  106.215  172.969  106.215   0.0000   0.0000   12.161   3.9398  ?   ?       ?      ? 
1 1 1  -12   59   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   60    1 o   12.292   2.3569  175.621   52.866  189.835   58.558  112.983  122.927   13.685   2.2043   10.899   4.1666 2.786334 4.713753 
1 1 1  -12   60    2 o   25.521   1.3953  687.006   53.640  708.870   60.052  600.708  119.304   26.864   1.1516   24.178   2.5420 2.685505 2.790646 
1 1 1  -12   60    3 o   21.151   1.6351  392.952   49.965  365.052   54.022  558.042  131.412   19.211   1.4486   23.091   2.9317 -3.880180 3.270104 
1 1 1  -12   60    4 o   5.7458   2.4725   0.7794   49.853   0.7794   49.853   0.0000   0.0000   5.7458   2.4725  ?   ?       ?      ? 
1 1 1  -12   60    5 o   13.249   1.8826  175.997   48.415  175.997   48.415   0.0000   0.0000   13.249   1.8826  ?   ?       ?      ? 
1 1 1  -12   60    6 o   11.835   2.2170  146.311   49.059  146.311   49.059   0.0000   0.0000   11.835   2.2170  ?   ?       ?      ? 
1 1 1  -12   60    7 o   18.227   1.3275  328.047   46.969  328.047   46.969   0.0000   0.0000   18.227   1.3275  ?   ?       ?      ? 
1 1 1  -12   60    8 o   5.2735   2.2937  -3.2983   43.834  -3.2983   43.834   0.0000   0.0000   5.2735   2.2937  ?   ?       ?      ? 
1 1 1  -12   60    9 o   15.833   3.6633  287.150  110.355  287.150  110.355   0.0000   0.0000   15.833   3.6633  ?   ?       ?      ? 
1 1 1  -12   60   10 o   9.5037   3.8630   70.141  111.624   70.141  111.624   0.0000   0.0000   9.5037   3.8630  ?   ?       ?      ? 
1 1 1  -12   60   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -12   61    1 o   7.8880   2.3817   24.624   52.473   24.952   58.026   23.152  122.914   6.8220   2.7804   8.9540   3.8676 -2.132033 4.763329 
1 1 1  -12   61    2 o   12.330   2.6024  123.168   52.448   95.771   56.931  276.849  134.836   9.4597   2.8586   15.200   4.3495 -5.740722 5.204779 
1 1 1  -12   61    3 o   12.935   2.1337  181.638   45.483  183.439   51.091  174.760   99.852   13.489   1.9512   12.381   3.7951 1.107622 4.267315 
1 1 1  -12   61    4 o   10.705   2.4075  121.973   48.815  121.973   48.815   0.0000   0.0000   10.705   2.4075  ?   ?       ?      ? 
1 1 1  -12   61    5 o   4.6400   2.1812 -47.8589   50.224 -47.8589   50.224   0.0000   0.0000   4.6400   2.1812  ?   ?       ?      ? 
1 1 1  -12   61    6 o   7.9753   2.7388   63.283   51.205   63.283   51.205   0.0000   0.0000   7.9753   2.7388  ?   ?       ?      ? 
1 1 1  -12   61    7 o   5.1586   2.3023 -13.8558   46.920 -13.8558   46.920   0.0000   0.0000   5.1586   2.3023  ?   ?       ?      ? 
1 1 1  -12   61    8 o   8.3015   3.5355   28.103  100.041   28.103  100.041   0.0000   0.0000   8.3015   3.5355  ?   ?       ?      ? 
1 1 1  -12   61    9 o   16.978   3.8697  339.732  124.696  339.732  124.696   0.0000   0.0000   16.978   3.8697  ?   ?       ?      ? 
1 1 1  -12   62    1 o   12.101   2.3935  176.257   54.115  191.241   59.355  102.460  131.723   13.642   2.2414   10.559   4.2299 3.082941 4.787047 
1 1 1  -12   62    2 o   24.257   1.5252  618.648   55.059  629.447   61.245  573.142  125.716   25.238   1.2501   23.276   2.7824 1.961906 3.050315 
1 1 1  -12   62    3 o   11.851   2.3692  149.509   52.597  149.509   52.597   0.0000   0.0000   11.851   2.3692  ?   ?       ?      ? 
1 1 1  -12   62    4 o   9.8917   2.7437  106.778   54.529  106.778   54.529   0.0000   0.0000   9.8917   2.7437  ?   ?       ?      ? 
1 1 1  -12   62    5 o   9.0288   2.7140   87.860   51.418   87.860   51.418   0.0000   0.0000   9.0288   2.7140  ?   ?       ?      ? 
1 1 1  -12   62    6 o   8.6897   2.7690   80.285   52.630   80.285   52.630   0.0000   0.0000   8.6897   2.7690  ?   ?       ?      ? 
1 1 1  -12   62    7 o   20.895   2.8363  465.491  115.040  465.491  115.040   0.0000   0.0000   20.895   2.8363  ?   ?       ?      ? 
1 1 1  -11    0    1 o   88.018   1.0082  7525.81  172.151  7507.49  243.774  7544.03  243.143   87.911   1.4294   88.125   1.4222 -0.000000 0.000000 
1 1 1  -11    0    2 o  427.888   2.8669 177865.91  2380.73 178743.00  3358.18 176979.70  3375.60  428.951   4.0338  426.826   4.0750 -0.000000 0.000000 
1 1 1  -11    0    3 o  214.860   1.8283 44839.68  762.233 45016.28  1072.46 44659.40  1083.55  215.289   2.5670  214.431   2.6040 -0.000000 0.000000 
1 1 1  -11    0    4 o  198.897   1.8085 38423.73  697.870 38351.78  977.545 38498.53  996.606  198.708   2.5352  199.086   2.5798 -0.000000 0.000000 
1 1 1  -11    0    5 o  257.803   2.0081 64547.15  1004.47 64358.23  1405.28 64744.50  1436.31  257.419   2.8130  258.187   2.8666 -0.000000 0.000000 
1 1 1  -11    0    6 o  251.675   1.9949 61508.83  974.086 61039.19  1361.15 62001.83  1394.59  250.691   2.7978  252.658   2.8443 -0.000000 0.000000 
1 1 1  -11    0    7 o  443.404   2.9268 190916.59  2516.68 188924.50  3482.12 193095.20  3641.48  440.990   4.0685  445.818   4.2087 -0.000000 0.000000 
1 1 1  -11    0    8 o  144.898   1.4381 20394.03  404.312 20503.07  571.022 20284.41  572.547  145.288   2.0256  144.509   2.0420 -0.000000 0.000000 
1 1 1  -11    0    9 o   88.816   2.2608  7627.43  238.533  7610.84  252.143  7768.80  735.974   88.511   1.4684   89.122   4.2766 -0.000000 0.000000 
1 1 1  -11    0   10 o   62.706   3.0135  4428.96  158.103  4502.42  163.149  3296.08  640.650   68.073   1.2356   57.338   5.8989 -0.000000 0.000000 
1 1 1  -11    0   11 o  169.507   2.9097 27924.93  956.782 27924.93  956.782   0.0000   0.0000  169.507   2.9097  169.507   2.9097 -0.000000 0.000000 
1 1 1  -11    0   12 o   29.838   4.8963  1502.49   84.887  1537.85   86.481  569.730  444.171   39.756   1.1226   19.920   9.7280 -0.000000 0.000000 
1 1 1  -11    0   13 o   63.979   2.6414  4214.07  156.052  4243.45  161.490  3799.79  606.490   66.081   1.2600   61.877   5.1304 -0.000000 0.000000 
1 1 1  -11    0   14 o   87.787   2.3211  7293.06  232.581  7240.17  244.327  7803.84  759.253   86.322   1.4590   89.251   4.4069 -0.000000 0.000000 
1 1 1  -11    0   15 o   76.727   3.8210  5848.66  559.171  5304.03  804.888  6356.74  777.404   73.113   5.7532   80.340   5.0300 -0.000000 0.000000 
1 1 1  -11    0   16 o  133.838   3.1917 17438.13  824.748 18149.17  1221.83 16842.99  1117.83  136.325   4.6292  131.352   4.3952 -0.000000 0.000000 
1 1 1  -11    0   17 o  118.193   3.3356 13703.12  760.294 13253.10  1106.98 14104.95  1046.04  116.299   4.9235  120.088   4.5017 -0.000000 0.000000 
1 1 1  -11    0   18 o   37.105   7.1231  1606.36  442.241  1450.23  593.028  1801.97  663.781   34.696   10.139   39.515   10.008 -0.000000 0.000000 
1 1 1  -11    0   19 o   42.295   4.1866  1264.07   98.962  1239.14   99.918  2547.33  716.914   35.634   1.4500   48.956   8.2467 -0.000000 0.000000 
1 1 1  -11    0   20 o   72.109   3.5963  5209.66  199.099  5214.83  203.629  5097.25  949.188   73.237   1.4336   70.981   7.0483 -0.000000 0.000000 
1 1 1  -11    0   21 f  184.520   2.6767 33728.43  760.198 34056.80  850.236 32419.72  1697.39  187.117   2.3416  181.923   4.8141 -0.000000 0.000000 
1 1 1  -11    0   22 f  162.861   2.7057 25475.96  633.287 25263.39  691.709 26577.29  1574.45  161.154   2.2121  164.568   4.9386 -0.000000 0.000000 
1 1 1  -11    0   23 o  125.084   3.0659 15410.10  447.288 15424.96  472.165 15280.09  1396.42  125.927   1.9326  124.241   5.8192 -0.000000 0.000000 
1 1 1  -11    0   24 o   41.385   8.0651  1150.71  115.812  1135.73  116.243  3159.69  1345.97   34.046   1.7698   48.725   16.033 -0.000000 0.000000 
1 1 1  -11    0   25 o   29.057   7.1966  975.033  114.964  972.985  115.716  1131.22  1010.44   31.457   1.9111   26.657   14.266 -0.000000 0.000000 
1 1 1  -11    0   26 o   24.668   7.3109  582.294  125.464  576.102  126.326  1031.80  1076.34   23.813   2.8394   25.522   14.343 -0.000000 0.000000 
1 1 1  -11    0   27 o   41.850   8.8852  2955.21  164.778  2966.21  165.365  1412.24  1958.44   55.158   1.5472   28.542   17.703 -0.000000 0.000000 
1 1 1  -11    0   28 o   18.695   3.9054  385.203  124.903  385.203  124.903   0.0000   0.0000   18.695   3.9054   18.695   3.9054 -0.000000 0.000000 
1 1 1  -11    0   29 o   5.2339   3.6475 -120.2489  133.654 -120.2489  133.654   0.0000   0.0000   5.2339   3.6475   5.2339   3.6475 -0.000000 0.000000 
1 1 1  -11    0   30 o   38.476   1.8192  1456.98  135.181  1456.98  135.181   0.0000   0.0000   38.476   1.8192   38.476   1.8192 -0.000000 0.000000 
1 1 1  -11    0   31 o   9.7539   5.0645  146.565  124.321  146.565  124.321   0.0000   0.0000   9.7539   5.0645   9.7539   5.0645 -0.000000 0.000000 
1 1 1  -11    0   32 o   7.5860   4.6669   59.372  133.455   59.372  133.455   0.0000   0.0000   7.5860   4.6669   7.5860   4.6669 -0.000000 0.000000 
1 1 1  -11    0   33 o   8.5005   5.0507  100.234  145.405  100.234  145.405   0.0000   0.0000   8.5005   5.0507   8.5005   5.0507 -0.000000 0.000000 
1 1 1  -11    0   34 o   32.154   2.8153  1071.53  172.625  1071.53  172.625   0.0000   0.0000   32.154   2.8153   32.154   2.8153 -0.000000 0.000000 
1 1 1  -11    1    1 o  262.501   1.4311 66896.80  729.236 67437.98  1036.32 66366.02  1026.34  263.553   2.0256  261.450   2.0223 2.102936 2.862301 
1 1 1  -11    1    2 o  130.684   0.9292 16578.11  235.719 16597.51  334.058 16558.89  332.661  130.760   1.3161  130.608   1.3121 0.1521606 1.858403 
1 1 1  -11    1    3 o   72.780   0.7351  5110.27   99.006  5039.61  122.303  5244.60  168.634   72.056   0.8744   73.505   1.1819 -1.449089 1.470146 
1 1 1  -11    1    4 o  122.097   0.9099 14468.15  215.633 14294.94  302.047 14648.19  307.940  121.352   1.2822  122.842   1.2914 -1.490158 1.819824 
1 1 1  -11    1    5 o  175.756   1.1509 29988.00  392.649 30052.49  554.601 29923.18  555.981  175.945   1.6238  175.566   1.6314 0.3791199 2.301775 
1 1 1  -11    1    6 o  243.076   1.3944 57363.76  657.926 57613.30  934.772 57118.77  926.183  243.600   1.9768  242.553   1.9671 1.047348 2.788768 
1 1 1  -11    1    7 o  188.469   1.1921 34480.99  436.133 34825.80  619.799 34142.80  613.815  189.402   1.6858  187.535   1.6861 1.866486 2.384298 
1 1 1  -11    1    8 o  407.664   2.0370 161395.41  1611.78 162611.50  2298.80 160219.50  2260.48  409.173   2.8942  406.155   2.8671 3.017944 4.073910 
1 1 1  -11    1    9 o   96.399   1.0332  9015.04  193.278  8756.36  269.219  9290.17  277.648   94.973   1.4603   97.825   1.4621 -2.852013 2.066450 
1 1 1  -11    1   10 o  126.808   1.2333 15608.69  303.548 15807.49  433.436 15417.34  425.246  127.600   1.7499  126.016   1.7384 1.584282 2.466595 
1 1 1  -11    1   11 o  192.926   1.4779 36143.29  553.483 35943.93  782.854 36342.55  782.633  192.394   2.0962  193.458   2.0840 -1.064407 2.955858 
1 1 1  -11    1   12 o  260.787   1.6696 66058.38  845.201 65917.75  1195.46 66198.94  1195.13  260.509   2.3640  261.065   2.3583 -0.5555420 3.339179 
1 1 1  -11    1   13 o  155.818   1.3911 23579.28  420.758 23705.33  596.248 23454.24  593.841  156.233   1.9660  155.403   1.9685 0.8297424 2.782166 
1 1 1  -11    1   14 o   52.419   0.7662  2667.78   77.965  2643.81  110.522  2691.52  109.997   52.185   1.0910   52.654   1.0762 -0.4689217 1.532498 
1 1 1  -11    1   15 o  200.903   2.1054 39262.55  820.992 39670.63  1156.36 38847.78  1165.81  201.960   2.9496  199.846   3.0051 2.113419 4.210835 
1 1 1  -11    1   16 o   40.825   4.1867  1635.18  331.147  1707.62  461.543  1558.32  475.389   41.772   5.6919   39.878   6.1412 1.894733 8.373304 
1 1 1  -11    1   17 o  172.937   2.2071 29126.44  740.889 28663.11  1045.65 29593.56  1049.91  171.552   3.1400  174.322   3.1027 -2.769287 4.414296 
1 1 1  -11    1   18 o  137.904   1.8757 18599.51  419.157 18356.07  880.756 18670.80  476.588  137.204   3.3069  138.604   1.7713 -1.399872 3.751455 
1 1 1  -11    1   19 o   38.616   0.9643  1446.48   72.231  1512.39  104.531  1386.25   99.925   39.456   1.3648   37.775   1.3627 1.681107 1.928622 
1 1 1  -11    1   20 o   82.327   1.0400  6586.09  166.205  6554.52  234.327  6618.05  235.780   82.128   1.4698   82.525   1.4718 -0.3969040 2.080051 
1 1 1  -11    1   21 o   37.443   1.1278  1364.00   81.895  1397.07  114.290  1329.10  117.407   37.911   1.5530   36.974   1.6358 0.9367523 2.255589 
1 1 1  -11    1   22 o   98.050   1.1758  9351.10  223.732  9151.74  317.301  9548.23  315.516   97.008   1.6850   99.092   1.6403 -2.084198 2.351526 
1 1 1  -11    1   23 o   34.741   1.1801  1175.48   79.393  1077.60  111.940  1274.56  112.621   33.281   1.7327   36.201   1.6026 -2.920269 2.360243 
1 1 1  -11    1   24 o   53.552   0.9952  2785.83  103.385  2936.29  148.564  2644.54  143.961   54.953   1.3927   52.150   1.4221 2.803493 1.990456 
1 1 1  -11    1   25 o   77.115   1.0926  5787.16  163.549  5800.68  231.801  5773.76  230.788   77.204   1.5467   77.025   1.5435 0.1789322 2.185137 
1 1 1  -11    1   26 o   93.381   1.1887  8494.52  215.468  8455.15  305.201  8533.65  304.237   93.164   1.6876   93.598   1.6745 -0.4341049 2.377370 
1 1 1  -11    1   27 o   40.680   1.2139  1615.57   95.810  1663.07  134.834  1567.12  136.168   41.289   1.6823   40.072   1.7505 1.217129 2.427859 
1 1 1  -11    1   28 o   27.935   1.6496  767.399   89.424  771.537  125.021  763.064  127.960   28.018   2.2987   27.853   2.3667 0.1647034 3.299280 
1 1 1  -11    1   29 o   54.269   1.2038  2884.52  126.785  2900.96  181.423  2868.83  177.251   54.416   1.7175   54.122   1.6871 0.2933273 2.407540 
1 1 1  -11    1   30 o   13.219   2.8212  178.081   85.319   74.484  122.620  275.307  118.789   10.420   4.1110   16.018   3.8647 -5.598449 5.642419 
1 1 1  -11    1   31 o   10.130   2.8460   67.843   85.978   12.915  128.312  112.603  115.828   9.2182   3.9667   11.042   4.0820 -1.823595 5.691911 
1 1 1  -11    1   32 o   14.663   3.0642  244.789   93.428  257.407  128.389  230.587  136.211   15.065   4.2213   14.261   4.4428 0.8040676 6.128423 
1 1 1  -11    1   33 o   11.569   3.1558  130.262  100.115  138.274  147.127  123.353  136.624   11.801   4.5468   11.336   4.3775 0.4654884 6.311558 
1 1 1  -11    1   34 o   24.973   2.3785  686.703  114.708  763.556  163.077  611.442  161.380   26.525   3.1672   23.422   3.5495 3.103367 4.757078 
1 1 1  -11    2    1 o  169.290   1.1777 27844.93  385.380 28080.00  522.762 27565.10  570.362  170.075   1.5834  168.505   1.7437 1.569901 2.355369 
1 1 1  -11    2    2 o  311.768   1.5489 94371.95  937.387 93888.89  1321.60 94860.99  1329.77  310.965   2.1894  312.570   2.1916 -1.605560 3.097834 
1 1 1  -11    2    3 o  165.198   1.0977 26491.75  351.989 26696.26  499.245 26289.61  496.343  165.832   1.5509  164.564   1.5538 1.267914 2.195312 
1 1 1  -11    2    4 o  232.228   1.3467 52355.63  607.062 52678.36  862.489 52038.76  854.596  232.937   1.9074  231.518   1.9016 1.418243 2.693372 
1 1 1  -11    2    5 o  259.530   1.4265 65391.30  718.661 64838.27  1011.48 65955.08  1021.27  258.422   2.0163  260.638   2.0185 -2.216034 2.853088 
1 1 1  -11    2    6 o  215.309   1.2942 45004.09  540.874 45255.81  769.082 44757.76  760.807  215.905   1.8350  214.714   1.8254 1.191040 2.588306 
1 1 1  -11    2    7 f  418.430   2.0406 170045.80  1657.46 169683.59  2339.88 170410.50  2348.14  417.983   2.8838  418.877   2.8878 -0.8939514 4.081186 
1 1 1  -11    2    8 o  175.052   1.1702 29748.71  397.636 29680.91  562.249 29816.56  562.435  174.852   1.6565  175.251   1.6533 -0.3992004 2.340368 
1 1 1  -11    2    9 o   65.306   0.8193  4139.40  103.836  4010.34  145.936  4271.73  147.773   64.275   1.1696   66.337   1.1476 -2.061806 1.638581 
1 1 1  -11    2   10 o  141.736   1.2524 19503.64  344.565 19534.97  489.205 19472.79  485.395  141.849   1.7766  141.623   1.7656 0.2256622 2.504770 
1 1 1  -11    2   11 o  146.403   1.2940 20810.98  367.746 20693.14  519.196 20929.63  520.953  145.987   1.8321  146.819   1.8279 -0.8319550 2.588012 
1 1 1  -11    2   12 o   46.329   0.7443  2083.45   66.936  2073.22   94.104  2093.93   95.231   46.214   1.0490   46.444   1.0563 -0.2301903 1.488658 
1 1 1  -11    2   13 f  133.757   1.3223 17374.36  343.305 17394.64  488.464 17354.57  482.603  133.834   1.8802  133.681   1.8598 0.1534424 2.644575 
1 1 1  -11    2   14 o  129.520   1.2404 16287.19  311.819 15934.37  436.406 16655.20  445.697  128.087   1.7552  130.952   1.7533 -2.865204 2.480885 
1 1 1  -11    2   15 o   96.537   2.3712  9071.03  444.278  9216.45  626.743  8924.15  629.875   97.318   3.3177   95.757   3.3886 1.561104 4.742305 
1 1 1  -11    2   16 o   27.261   4.8208  743.524  254.584  609.671  339.299  915.960  385.108   24.563   6.8552   29.960   6.7800 -5.397293 9.641635 
1 1 1  -11    2   17 o   68.276   2.9826  4620.88  386.243  4927.86  505.957  4192.12  597.959   71.086   3.6666   65.465   4.7054 5.620766 5.965271 
1 1 1  -11    2   18 o   22.033   3.6707  631.358   87.111  186.202  368.243  657.745   89.656   18.052   7.1236   26.015   1.7754 -7.963112 7.341472 
1 1 1  -11    2   19 f   26.820   1.2648  699.168   65.823  697.009   91.743  701.458   94.495   26.778   1.7650   26.862   1.8122 -0.8421326E-01 2.529652 
1 1 1  -11    2   20 o   45.801   0.9496  2037.41   84.405  2067.70  120.981  2008.68  117.816   46.132   1.3510   45.470   1.3348 0.6626549 1.899161 
1 1 1  -11    2   21 o  135.137   1.3163 17759.91  345.275 17499.91  484.587 18028.03  492.083  134.133   1.8611  136.141   1.8620 -2.008774 2.632652 
1 1 1  -11    2   22 o   84.366   1.0506  6918.08  172.016  6949.12  246.354  6888.54  240.293   84.549   1.5010   84.182   1.4705 0.3666687 2.101270 
1 1 1  -11    2   23 o   85.617   1.0963  7125.44  182.152  7261.16  261.083  6996.73  254.256   86.410   1.5565   84.824   1.5441 1.586708 2.192508 
1 1 1  -11    2   24 o   68.357   1.0241  4541.41  135.855  4660.01  194.993  4429.54  189.385   69.224   1.4511   67.491   1.4456 1.733017 2.048253 
1 1 1  -11    2   25 o   68.931   1.0390  4614.72  138.861  4788.31  202.421  4460.42  190.848   70.151   1.4865   67.711   1.4520 2.440613 2.077938 
1 1 1  -11    2   26 f   74.088   1.1026  5340.68  158.514  5540.20  227.306  5151.79  221.165   75.435   1.5523   72.740   1.5663 2.694382 2.205203 
1 1 1  -11    2   27 o   83.374   1.1791  6781.87  190.807  6689.55  270.899  6872.75  268.798   82.807   1.6853   83.942   1.6496 -1.135208 2.358276 
1 1 1  -11    2   28 o   56.366   1.1362  3102.76  124.315  3095.93  175.130  3109.70  176.495   56.304   1.6023   56.427   1.6113 -0.1231194 2.272394 
1 1 1  -11    2   29 o   15.130   2.9698  240.685   90.723  206.708  125.574  277.782  131.215   14.084   4.2431   16.176   4.1564 -2.092613 5.939679 
1 1 1  -11    2   30 o   23.803   2.0205  586.909   89.691  415.881  129.153  746.221  124.651   20.214   3.2914   27.392   2.3443 -7.177900 4.040933 
1 1 1  -11    2   31 f   14.543   2.9402  234.071   87.176  237.594  124.018  230.630  122.567   14.645   4.1648   14.441   4.1512 0.2032146 5.880306 
1 1 1  -11    2   32 o   8.4121   2.6922 -60.4282   97.425   14.144  133.779 -144.6410  142.163   9.3105   4.0283   7.5137   3.5727 1.796875 5.384363 
1 1 1  -11    2   33 o   12.274   3.0805  145.393  105.036  -7.7309  156.232  271.690  141.888   9.4372   4.2072   15.110   4.5009 -5.672762 6.161096 
1 1 1  -11    2   34 f   30.840   1.8680  998.212  111.774  1036.22  161.031  962.874  155.270   31.406   2.6414   30.274   2.6421 1.132616 3.735992 
1 1 1  -11    3    1 o  103.721   0.9512 10382.56  183.890 10230.28  229.114 10658.24  308.280  102.661   1.1497  104.782   1.5156 -2.121414 1.902348 
1 1 1  -11    3    2 o  273.451   1.4620 72599.13  776.032 72723.62  1099.60 72475.60  1095.36  273.684   2.0698  273.217   2.0653 0.4668579 2.923934 
1 1 1  -11    3    3 o  278.294   1.4692 75193.38  793.667 74908.25  1119.57 75481.44  1125.28  277.764   2.0764  278.825   2.0790 -1.060547 2.938343 
1 1 1  -11    3    4 o  122.889   1.0336 14599.42  239.186 14415.05  302.513 14906.89  390.666  121.860   1.2788  123.917   1.6241 -2.056709 2.067143 
1 1 1  -11    3    5 o  288.487   1.4998 80804.80  839.875 80564.85  1186.23 81046.01  1189.30  288.057   2.1214  288.916   2.1206 -0.8589478 2.999539 
1 1 1  -11    3    6 o  152.067   1.0511 22447.72  310.268 22563.42  440.102 22333.40  437.481  152.457   1.4871  151.678   1.4858 0.7790680 2.102189 
1 1 1  -11    3    7 o  243.792   1.3859 57700.30  655.861 58281.46  931.721 57129.49  923.389  245.008   1.9590  242.575   1.9610 2.433533 2.771863 
1 1 1  -11    3    8 o  127.540   0.9341 15788.95  231.244 15599.60  325.282 15982.42  328.803  126.767   1.3219  128.313   1.3201 -1.546059 1.868138 
1 1 1  -11    3    9 o   75.633   0.8984  5552.01  131.829  5581.23  189.647  5524.69  183.380   75.825   1.2885   75.440   1.2522 0.3847656 1.796711 
1 1 1  -11    3   10 o  111.542   1.1164 12064.11  241.576 11581.94  335.170 12585.39  348.501  109.225   1.5808  113.859   1.5768 -4.633408 2.232754 
1 1 1  -11    3   11 o   80.541   0.9314  6296.61  145.607  6348.99  207.515  6245.81  204.361   80.871   1.3219   80.211   1.3125 0.6596985 1.862799 
1 1 1  -11    3   12 o  147.411   1.2987 21101.73  371.586 21222.34  522.920 20978.71  528.122  147.837   1.8222  146.985   1.8510 0.8520508 2.597369 
1 1 1  -11    3   13 o  193.569   1.5058 36394.00  565.791 36305.56  799.933 36482.54  800.365  193.334   2.1315  193.805   2.1274 -0.4709167 3.011515 
1 1 1  -11    3   14 o  130.526   1.2959 16546.57  328.309 16654.19  467.956 16442.24  460.725  130.943   1.8410  130.108   1.8242 0.8350220 2.591725 
1 1 1  -11    3   15 o  150.220   2.1266 21947.14  620.007 21816.73  867.622 22083.22  886.321  149.767   2.9844  150.674   3.0303 -0.9069519 4.253138 
1 1 1  -11    3   16 o   67.372   2.7336  4419.27  357.336  4237.43  498.319  4611.75  512.687   65.945   3.8928   68.799   3.8389 -2.854767 5.467257 
1 1 1  -11    3   17 o  113.601   2.3708 12591.05  522.073 11903.82  741.682 13265.98  735.009  110.510   3.4574  116.691   3.2448 -6.181160 4.741563 
1 1 1  -11    3   18 o   63.182   2.2848  3750.04  147.249  4061.80  548.932  3725.87  152.851   64.427   4.3892   61.937   1.2713 2.490437 4.569614 
1 1 1  -11    3   19 o   90.863   2.2493  8275.77  258.789  7760.07  730.615  8349.75  276.731   89.028   4.2276   92.698   1.5379 -3.669243 4.498640 
1 1 1  -11    3   20 o   67.500   0.9504  4427.37  124.450  4408.28  179.079  4445.20  173.072   67.358   1.3696   67.642   1.3181 -0.2841034 1.900828 
1 1 1  -11    3   21 o   74.310   1.0281  5366.30  148.296  5342.40  208.169  5390.92  211.310   74.143   1.4464   74.478   1.4616 -0.3348999 2.056284 
1 1 1  -11    3   22 o  108.813   1.2124 11516.35  256.070 11411.26  363.125 11620.31  361.159  108.318   1.7270  109.309   1.7021 -0.9909058 2.424784 
1 1 1  -11    3   23 f   41.529   1.0708  1674.26   85.986  1707.68  127.930  1646.71  116.128   41.904   1.5727   41.155   1.4536 0.7489510 2.141608 
1 1 1  -11    3   24 o  110.515   1.2534 11886.75  268.861 11998.41  383.919 11779.28  376.640  111.022   1.7814  110.007   1.7638 1.015305 2.506848 
1 1 1  -11    3   25 o   33.609   1.2571  1099.19   81.892  1118.55  119.531  1082.05  112.422   33.885   1.8172   33.333   1.7375 0.5522270 2.514155 
1 1 1  -11    3   26 o   51.187   1.0972  2549.61  108.948  2423.19  152.303  2682.09  155.911   49.886   1.5728   52.488   1.5302 -2.601788 2.194335 
1 1 1  -11    3   27 o   42.430   1.2313  1750.19  101.078  1838.31  150.432  1677.65  136.478   43.394   1.7859   41.466   1.6955 1.927677 2.462546 
1 1 1  -11    3   28 o   51.065   1.1436  2542.74  113.234  2381.53  156.917  2717.90  163.564   49.375   1.6372   52.755   1.5972 -3.379948 2.287249 
1 1 1  -11    3   29 o   29.260   1.6494  846.143   93.571  862.675  130.026  828.385  134.761   29.571   2.2652   28.949   2.3981 0.6219616 3.298789 
1 1 1  -11    3   30 o   28.154   1.6589  787.949   90.623  807.871  130.625  769.463  125.829   28.492   2.3617   27.816   2.3304 0.6764717 3.317887 
1 1 1  -11    3   31 o   17.344   2.7753  331.090   91.514  374.605  129.190  287.264  129.651   18.608   3.7067   16.080   4.1314 2.527811 5.550562 
1 1 1  -11    3   32 o   21.441   2.4600  491.964   99.923  515.775  139.286  466.715  143.430   22.210   3.2307   20.672   3.7106 1.537664 4.919967 
1 1 1  -11    3   33 o   17.469   3.0535  359.670  103.331  321.843  147.942  395.703  144.388   16.419   4.5055   18.519   4.1225 -2.100595 6.106919 
1 1 1  -11    3   34 o   10.778   3.1042  104.587  102.237   95.286  149.120  112.836  140.440   10.673   4.4151   10.883   4.3648 -0.2101650 6.208490 
1 1 1  -11    4    1 o  237.963   1.3674 54973.38  631.609 54654.89  887.930 55299.58  898.625  237.266   1.9279  238.661   1.9397 -1.394806 2.734794 
1 1 1  -11    4    2 o  305.847   1.5407 90821.49  914.725 91412.18  1297.72 90238.21  1289.56  306.836   2.1788  304.859   2.1791 1.976654 3.081466 
1 1 1  -11    4    3 o  265.682   1.4396 68527.22  742.439 68010.78  1043.32 69057.04  1056.74  264.669   2.0307  266.696   2.0412 -2.027618 2.879296 
1 1 1  -11    4    4 f  366.078   1.7919 130126.40  1273.25 129401.70  1787.19 130873.20  1814.42  365.044   2.5221  367.112   2.5461 -2.068024 3.583785 
1 1 1  -11    4    5 o  404.424   2.0126 158827.50  1579.86 157542.20  2213.92 160161.09  2255.15  402.758   2.8317  406.090   2.8608 -3.331268 4.025292 
1 1 1  -11    4    6 o  329.412   1.5989 105363.40  1022.44 105236.60  1445.32 105490.50  1446.59  329.214   2.2616  329.611   2.2609 -0.3969727 3.197894 
1 1 1  -11    4    7 o  193.712   1.2183 36428.91  458.131 36201.19  646.464 36658.65  649.335  193.104   1.7246  194.321   1.7214 -1.216354 2.436695 
1 1 1  -11    4    8 o  132.654   0.9644 17082.39  248.336 17083.55  351.397 17081.23  351.005  132.659   1.3646  132.650   1.3631 0.9002686E-02 1.928783 
1 1 1  -11    4    9 o  188.028   1.3035 34339.98  468.430 34245.55  728.819 34406.44  611.449  187.802   1.9992  188.254   1.6732 -0.4514618 2.606989 
1 1 1  -11    4   10 o  172.847   1.4247 29006.58  478.017 28740.78  673.050 29277.13  679.025  172.048   2.0153  173.646   2.0144 -1.597961 2.849438 
1 1 1  -11    4   11 o  162.413   1.3715 25613.39  432.386 25576.42  611.781 25650.29  611.193  162.296   1.9419  162.530   1.9372 -0.2344055 2.742947 
1 1 1  -11    4   12 o  406.717   1.9920 160702.00  1572.56 162307.41  2243.39 159151.00  2204.97  408.712   2.8276  404.721   2.8066 3.990509 3.984026 
1 1 1  -11    4   13 o  137.270   1.2953 18299.19  345.147 18253.61  488.534 18344.61  487.691  137.099   1.8357  137.441   1.8279 -0.3416138 2.590577 
1 1 1  -11    4   14 o   87.392   1.0213  7416.77  173.237  7369.59  246.131  7463.08  243.873   87.117   1.4555   87.668   1.4330 -0.5514603 2.042533 
1 1 1  -11    4   15 o  125.045   1.8204 15173.61  375.379 15149.65  429.398 15251.28  773.065  124.888   1.7712  125.202   3.1808 -0.3142090 3.640716 
1 1 1  -11    4   16 o  185.216   2.1480 33376.07  772.238 32794.57  1088.34 33965.71  1095.92  183.589   3.0539  186.844   3.0216 -3.254211 4.296062 
1 1 1  -11    4   17 o   41.143   2.7469  1816.02   96.941  1476.01  404.018  1836.80   99.859   38.795   5.3649   43.491   1.1828 -4.696594 5.493764 
1 1 1  -11    4   18 o   83.016   2.1425  6911.18  221.151  6461.57  637.337  6972.72  235.801   81.310   4.0379   84.721   1.4338 -3.411339 4.284944 
1 1 1  -11    4   19 o   26.798   3.6857  620.232   83.345  841.753  396.045  609.967   85.254   28.545   7.1598   25.050   1.7532 3.495403 7.371344 
1 1 1  -11    4   20 o  109.665   1.1776 11691.48  250.656 11666.38  356.553 11716.01  352.443  109.547   1.6767  109.783   1.6538 -0.2351456 2.355101 
1 1 1  -11    4   21 o  167.747   1.4334 27382.05  466.721 27352.79  664.374 27410.55  655.797  167.656   2.0414  167.839   2.0129 -0.1829834 2.866861 
1 1 1  -11    4   22 o   52.161   0.9706  2641.19   98.190  2711.66  142.561  2577.59  135.435   52.821   1.3904   51.500   1.3547 1.320549 1.941249 
1 1 1  -11    4   23 o   36.027   1.1344  1260.52   79.057  1284.29  117.314  1240.75  107.002   36.335   1.6633   35.719   1.5432 0.6156311 2.268900 
1 1 1  -11    4   24 o   50.387   1.0265  2472.16  100.188  2285.21  141.559  2659.79  141.817   48.472   1.5045   52.302   1.3968 -3.829517 2.052941 
1 1 1  -11    4   25 o   12.247   2.6073  134.523   75.342   26.822  106.531  242.302  106.569   9.1094   3.7463   15.385   3.6274 -6.275581 5.214665 
1 1 1  -11    4   26 o   47.618   1.1074  2210.66  102.197  2148.31  147.489  2268.24  141.739   46.967   1.6177   48.270   1.5127 -1.303413 2.214769 
1 1 1  -11    4   27 o   33.791   1.3815  1115.59   90.573  1066.99  126.720  1166.35  129.504   33.036   1.9760   34.546   1.9312 -1.509529 2.762992 
1 1 1  -11    4   28 o   34.264   1.4158  1149.42   94.092  1182.11  136.408  1119.74  129.957   34.725   2.0236   33.804   1.9805 0.9213676 2.831512 
1 1 1  -11    4   29 o   23.035   2.0445  529.356   91.087  534.617  124.081  523.208  134.140   23.186   2.7568   22.883   3.0198 0.3034954 4.088926 
1 1 1  -11    4   30 o   34.671   1.4565  1182.35   97.653  1270.52  146.139  1111.21  131.261   35.819   2.1018   33.524   2.0170 2.294464 2.913088 
1 1 1  -11    4   31 o   39.862   1.3280  1575.45  102.696  1498.41  143.864  1655.50  146.645   38.855   1.9074   40.869   1.8485 -2.013420 2.656097 
1 1 1  -11    4   32 o   17.957   2.9644  367.021  101.953  312.496  145.317  419.878  143.076   16.464   4.4436   19.450   3.9248 -2.986286 5.928749 
1 1 1  -11    4   33 o   30.788   1.7856  973.888  106.648  1022.27  152.743  927.867  148.973   31.555   2.4936   30.021   2.5563 1.533993 3.571136 
1 1 1  -11    4   34 o   22.117   2.5950  551.701  108.663  621.091  160.113  492.452  147.952   23.637   3.4895   20.597   3.8417 3.039978 5.189923 
1 1 1  -11    5    1 o  302.327   1.5304 88745.23  898.158 89181.70  1271.37 88310.38  1269.01  303.069   2.1611  301.585   2.1677 1.484467 3.060858 
1 1 1  -11    5    2 o  121.057   1.0452 14114.16  236.832 13815.15  296.279 14643.36  394.157  119.298   1.2794  122.817   1.6533 -3.518684 2.090496 
1 1 1  -11    5    3 o  111.044   0.8552 11969.37  184.342 11983.18  260.620 11955.54  260.777  111.108   1.2084  110.979   1.2105 0.1282501 1.710391 
1 1 1  -11    5    4 f  161.975   1.1014 25466.51  346.277 25823.41  492.386 25117.27  487.076  163.098   1.5552  160.852   1.5599 2.245514 2.202743 
1 1 1  -11    5    5 o  134.605   1.2283 17762.29  301.583 18107.45  370.034 17079.43  520.474  136.577   1.3957  132.632   2.0215 3.944748 2.456563 
1 1 1  -11    5    6 o  253.391   1.4165 62322.63  696.628 61500.01  974.461 63182.47  996.263  251.682   1.9946  255.100   2.0119 -3.418716 2.832997 
1 1 1  -11    5    7 o  283.507   1.4955 78024.73  822.945 79128.49  1174.31 76959.55  1153.61  285.476   2.1191  281.537   2.1108 3.939301 2.991017 
1 1 1  -11    5    8 o  145.675   1.0393 20597.48  293.866 20924.17  418.692 20280.30  412.553  146.813   1.4691  144.537   1.4704 2.276505 2.078576 
1 1 1  -11    5    9 o  304.338   1.6505 89965.35  970.206 89736.95  1445.24 90152.73  1309.01  303.978   2.4492  304.698   2.2131 -0.7195129 3.301023 
1 1 1  -11    5   10 o  130.823   1.2197 16613.21  309.714 16885.22  441.166 16348.86  434.905  131.879   1.7233  129.767   1.7265 2.111557 2.439372 
1 1 1  -11    5   11 o  167.695   1.4751 27309.20  480.172 27434.54  678.797 27183.66  679.336  168.081   2.0804  167.310   2.0917 0.7707672 2.950157 
1 1 1  -11    5   12 o  237.892   1.6350 54969.02  754.998 55110.55  1065.76 54826.45  1069.71  238.200   2.3049  237.584   2.3194 0.6158600 3.269917 
1 1 1  -11    5   13 o  121.299   1.2166 14288.04  286.450 14214.75  405.263 14361.21  404.940  120.988   1.7256  121.610   1.7154 -0.6220703 2.433119 
1 1 1  -11    5   14 o  147.881   1.3660 21242.53  392.106 21124.32  551.861 21363.03  557.221  147.466   1.9279  148.296   1.9357 -0.8303528 2.731934 
1 1 1  -11    5   15 o  225.613   1.8556 49348.35  789.920 48911.65  1003.16 50060.98  1281.49  224.345   2.3035  226.881   2.9097 -2.535782 3.711164 
1 1 1  -11    5   16 o  113.634   2.2731 12582.04  500.698 12889.53  695.223 12250.68  721.708  115.088   3.1119  112.180   3.3142 2.908035 4.546202 
1 1 1  -11    5   17 o   81.533   1.9088  6041.18  193.881  7045.67  588.909  5919.07  205.327   85.000   3.5691   78.066   1.3549 6.934242 3.817672 
1 1 1  -11    5   18 o  134.975   1.9872 17788.99  421.266 17662.20  925.397 17822.13  473.133  134.536   3.5434  135.413   1.7999 -0.8771667 3.974384 
1 1 1  -11    5   19 o   29.790   4.0002  848.101   91.836  939.258  461.973  844.351   93.706   30.104   7.8310   29.475   1.6377 0.6290169 8.000467 
1 1 1  -11    5   20 o   49.835   0.9520  2396.18   91.634  2577.03  138.237  2254.41  122.387   51.499   1.3828   48.171   1.3088 3.328568 1.903993 
1 1 1  -11    5   21 o   95.665   1.1245  8897.29  208.795  8855.95  296.963  8937.70  293.627   95.444   1.6028   95.886   1.5775 -0.4419022 2.248914 
1 1 1  -11    5   22 o  120.339   1.2837 14086.63  299.823 13763.08  421.825 14416.98  426.238  118.940   1.8270  121.737   1.8037 -2.796349 2.567343 
1 1 1  -11    5   23 o   83.255   1.0596  6742.47  171.187  6559.77  242.917  6922.73  241.280   82.132   1.5236   84.379   1.4731 -2.246880 2.119290 
1 1 1  -11    5   24 o   67.037   1.0431  4364.62  135.584  4486.45  197.584  4256.21  186.394   67.918   1.4987   66.156   1.4514 1.761375 2.086299 
1 1 1  -11    5   25 o   75.351   1.0793  5524.84  157.812  5536.89  226.186  5513.41  220.292   75.429   1.5448   75.274   1.5076 0.1553574 2.158515 
1 1 1  -11    5   26 o   86.009   1.1635  7204.88  194.134  7226.44  279.569  7184.80  269.786   86.128   1.6722   85.890   1.6181 0.2384720 2.326899 
1 1 1  -11    5   27 o   52.594   1.1124  2690.00  113.333  2461.18  156.210  2944.30  164.680   50.234   1.6019   54.953   1.5438 -4.719200 2.224722 
1 1 1  -11    5   28 o   36.349   1.3701  1288.05   96.436  1411.56  141.972  1182.25  131.401   37.961   1.9266   34.737   1.9487 3.223743 2.740294 
1 1 1  -11    5   29 o   61.137   1.1470  3645.13  135.869  3406.02  185.659  3920.85  199.369   58.986   1.6214   63.287   1.6228 -4.300709 2.294057 
1 1 1  -11    5   30 o   19.524   2.3641  391.567   87.406  442.853  129.340  348.459  118.580   20.870   3.1926   18.177   3.4875 2.692545 4.728136 
1 1 1  -11    5   31 o   23.383   2.0472  557.757   92.854  587.615  133.521  529.794  129.215   23.999   2.8660   22.766   2.9239 1.233917 4.094344 
1 1 1  -11    5   32 o   14.628   2.9178  231.656   99.543  397.852  140.341   63.389  141.213   18.894   3.9535   10.363   4.2924 8.530776 5.835650 
1 1 1  -11    5   33 o   22.727   2.4744  567.797  105.272  495.965  152.288  633.534  145.685   20.959   3.8862   24.496   3.0638 -3.537046 4.948704 
1 1 1  -11    5   34 o   18.734   3.1159  438.634  111.536  379.456  169.285  484.030  148.268   17.104   4.8664   20.363   3.8928 -3.258833 6.231801 
1 1 1  -11    6    1 o  104.904   0.9978 10540.65  191.307 10272.54  232.595 11101.31  336.348  102.872   1.1648  106.936   1.6203 -4.064011 1.995515 
1 1 1  -11    6    2 o   87.252   0.7126  7389.50  120.696  7416.83  170.825  7362.24  170.556   87.413   1.0067   87.090   1.0089 0.3223114 1.425236 
1 1 1  -11    6    3 o  150.436   1.0368 21963.42  302.712 21655.37  423.490 22285.26  432.864  149.358   1.4607  151.515   1.4717 -2.156418 2.073535 
1 1 1  -11    6    4 o  311.428   1.5526 94155.42  938.507 93109.28  1316.02 95238.03  1338.77  309.669   2.1893  313.188   2.2021 -3.519257 3.105180 
1 1 1  -11    6    5 o  222.239   1.3168 47945.48  568.055 47441.09  798.224 48463.05  808.579  221.055   1.8602  223.423   1.8644 -2.368149 2.633659 
1 1 1  -11    6    6 f  173.949   1.1695 29367.41  394.851 28929.85  552.920 29822.77  564.053  172.627   1.6500  175.270   1.6579 -2.643631 2.339024 
1 1 1  -11    6    7 o  162.273   1.1345 25561.37  357.344 25378.09  501.945 25749.74  508.848  161.684   1.5993  162.863   1.6095 -1.179367 2.268986 
1 1 1  -11    6    8 o  290.981   1.5312 82212.88  864.907 81771.45  1219.75 82659.29  1226.60  290.195   2.1653  291.766   2.1657 -1.571136 3.062493 
1 1 1  -11    6    9 o   99.183   0.9272  9556.24  171.908  9524.52  284.243  9574.53  215.860   99.051   1.4783   99.315   1.1197 -0.2640991 1.854475 
1 1 1  -11    6   10 o  202.779   1.5107 39927.41  594.669 39993.08  841.520 39861.89  840.458  202.946   2.1361  202.613   2.1369 0.3331757 3.021461 
1 1 1  -11    6   11 o  171.244   1.4098 28477.18  468.598 28366.10  665.800 28586.20  659.639  170.912   2.0068  171.575   1.9806 -0.6629028 2.819547 
1 1 1  -11    6   12 o   27.882   3.7878  792.315  197.177  648.910  298.081  903.883  262.919   25.289   6.1348   30.475   4.4444 -5.185890 7.575570 
1 1 1  -11    6   13 o  173.744   1.4110 29309.28  475.799 28592.93  666.024 30055.92  679.957  171.576   1.9997  175.911   1.9912 -4.335236 2.822032 
1 1 1  -11    6   14 o  106.133   1.1453 10938.64  235.951 11121.43  335.265 10759.26  332.128  107.012   1.6140  105.255   1.6255 1.757286 2.290685 
1 1 1  -11    6   15 o   76.268   1.7984  5522.74  183.457  5473.96  197.145  5837.88  501.091   75.083   1.3526   77.454   3.3328 -2.371109 3.596828 
1 1 1  -11    6   16 o   42.852   2.6104  1817.07   91.211  1758.20  419.915  1819.98   93.442   42.408   5.1009   43.295   1.1118 -0.8875923 5.220709 
1 1 1  -11    6   17 o   80.316   1.9685  6136.24  193.114  6465.87  585.579  6096.01  204.558   81.407   3.7056   79.224   1.3301 2.182755 3.937088 
1 1 1  -11    6   18 o  241.031   1.8831 56650.13  827.759 56295.36  1440.97 56824.85  1011.26  240.339   3.0886  241.722   2.1552 -1.382446 3.766213 
1 1 1  -11    6   19 o  143.793   1.9070 20161.70  461.461 20096.06  920.113 20183.76  533.393  143.509   3.3029  144.077   1.9072 -0.5687103 3.813985 
1 1 1  -11    6   20 o  167.208   1.9508 27211.99  552.370 27352.40  1093.18 27163.85  640.094  167.314   3.3658  167.101   1.9733 0.2132263 3.901658 
1 1 1  -11    6   21 o   35.831   1.1283  1246.19   78.358  1280.94  114.594  1215.67  107.388   36.298   1.6263   35.363   1.5644 0.9346352 2.256586 
1 1 1  -11    6   22 o   48.814   0.9970  2308.18   94.081  2398.39  140.593  2235.03  126.605   49.672   1.4581   47.956   1.3600 1.716732 1.993914 
1 1 1  -11    6   23 o   41.096   1.0452  1637.58   82.847  1681.74  125.144  1603.13  110.536   41.584   1.5503   40.608   1.4023 0.9760513 2.090413 
1 1 1  -11    6   24 o   88.141   1.1536  7556.22  197.214  7626.50  285.456  7492.04  272.781   88.529   1.6611   87.753   1.6014 0.7758484 2.307273 
1 1 1  -11    6   25 o   32.889   1.3642  1055.77   86.561  1039.44  129.252  1069.06  116.560   32.649   2.0394   33.128   1.8126 -0.4780922 2.728452 
1 1 1  -11    6   26 o   70.491   1.0918  4832.48  149.129  4929.54  218.418  4747.72  204.109   71.148   1.5815   69.834   1.5057 1.313499 2.183596 
1 1 1  -11    6   27 o   56.566   1.0980  3120.08  120.555  3080.55  170.244  3159.85  170.739   56.205   1.5604   56.927   1.5451 -0.7214317 2.195920 
1 1 1  -11    6   28 o   61.822   1.1110  3732.51  133.305  3745.70  190.478  3719.86  186.626   61.926   1.5845   61.719   1.5577 0.2073784 2.221996 
1 1 1  -11    6   29 o   24.699   2.0075  607.087   95.852  684.515  138.353  535.618  132.922   26.239   2.7163   23.160   2.9566 3.079384 4.014944 
1 1 1  -11    6   30 o   39.452   1.2877  1536.63   98.458  1486.29  141.816  1583.48  136.800   38.806   1.8826   40.098   1.7575 -1.291386 2.575483 
1 1 1  -11    6   31 o   31.883   1.6316  1021.85  100.388  993.925  148.970  1045.09  135.872   31.421   2.4424   32.345   2.1640 -0.9234867 3.263133 
1 1 1  -11    6   32 o   36.034   1.5403  1314.87  106.926  1440.85  147.935  1177.05  154.725   37.948   2.0082   34.119   2.3361 3.829353 3.080672 
1 1 1  -11    6   33 o   22.382   2.6897  576.057  109.475  399.906  159.066  734.581  150.898   18.310   4.5059   26.454   2.9385 -8.144012 5.379451 
1 1 1  -11    6   34 o   29.306   1.9783  907.602  112.216  1005.20  165.187  823.963  152.917   30.793   2.7635   27.820   2.8316 2.972361 3.956643 
1 1 1  -11    7    1 o  249.149   1.3959 60267.08  675.083 60163.89  951.055 60371.88  958.410  248.934   1.9681  249.364   1.9799 -0.4294739 2.791730 
1 1 1  -11    7    2 o  228.023   1.3385 50479.75  592.434 50776.50  837.782 50182.93  837.874  228.693   1.8872  227.352   1.8985 1.341019 2.676902 
1 1 1  -11    7    3 o  421.302   1.9384 172420.41  1582.19 171663.80  2308.08 173091.09  2173.12  420.422   2.8281  422.182   2.6517 -1.760193 3.876811 
1 1 1  -11    7    4 o  141.683   1.2324 19363.40  316.539 19143.63  383.146 19835.92  561.802  140.430   1.4055  142.935   2.0248 -2.504684 2.464804 
1 1 1  -11    7    5 o  218.204   1.3124 46224.89  555.895 46095.37  784.749 46355.36  787.568  217.897   1.8553  218.511   1.8567 -0.6135864 2.624804 
1 1 1  -11    7    6 o  152.854   1.0665 22678.62  316.435 22431.69  444.462 22932.44  450.614  152.011   1.5062  153.698   1.5103 -1.687256 2.133043 
1 1 1  -11    7    7 o  224.580   1.3355 48963.00  582.167 48666.16  816.880 49269.36  829.891  223.888   1.8796  225.271   1.8978 -1.382599 2.671044 
1 1 1  -11    7    8 o   53.919   0.5335  2821.86   55.833  2803.39   78.902  2840.38   79.018   53.742   0.7563   54.095   0.7525 -0.3533783 1.066901 
1 1 1  -11    7    9 o  209.719   1.3993 42730.13  562.992 42533.01  863.778 42875.72  742.333  209.292   2.1261  210.146   1.8198 -0.8533936 2.798536 
1 1 1  -11    7   10 o  244.158   1.6275 57890.58  771.373 57913.52  1088.67 57867.46  1093.12  244.207   2.2965  244.109   2.3068 0.9768677E-01 3.255086 
1 1 1  -11    7   11 o  270.930   1.7022 71294.70  895.161 70231.84  1262.31 72369.89  1269.62  268.898   2.4183  272.962   2.3961 -4.064178 3.404352 
1 1 1  -11    7   12 o   84.509   1.0265  6882.39  167.410  7394.67  253.818  6487.94  222.723   87.271   1.4983   81.747   1.4035 5.523918 2.052974 
1 1 1  -11    7   13 o  128.390   1.2572 16009.40  313.310 15897.36  444.224 16120.29  441.959  127.943   1.7886  128.837   1.7672 -0.8948669 2.514371 
1 1 1  -11    7   14 o  195.631   1.5407 37193.13  584.999 37617.94  823.067 36759.43  831.627  196.763   2.1549  194.500   2.2026 2.262939 3.081432 
1 1 1  -11    7   15 f  123.037   1.7414 14608.07  356.823 14509.07  409.492 14920.39  727.307  122.222   1.7260  123.852   3.0252 -1.630287 3.482889 
1 1 1  -11    7   16 o   61.479   2.1721  3814.28  138.216  3520.23  487.509  3839.98  144.130   60.072   4.1807   62.887   1.1807 -2.814903 4.344193 
1 1 1  -11    7   17 o   87.309   2.2164  8013.15  238.629  6686.81  673.689  8203.43  255.174   82.719   4.1956   91.898   1.4304 -9.179329 4.432701 
1 1 1  -11    7   18 o   89.288   2.2051  8489.55  261.291  6810.21  669.652  8791.15  283.785   83.453   4.1337   95.122   1.5369 -11.66876 4.410184 
1 1 1  -11    7   19 o  104.229   1.9640 10387.30  285.466 10869.52  739.227 10302.79  309.472  105.489   3.6100  102.969   1.5483 2.520309 3.928001 
1 1 1  -11    7   20 o   66.520   2.7976  4493.09  171.456  4156.32  684.087  4515.66  177.109   64.868   5.4327   68.173   1.3383 -3.304665 5.595118 
1 1 1  -11    7   21 o   54.541   0.9383  2888.51   99.031  2914.30  146.240  2866.68  134.587   54.763   1.3757   54.318   1.2764 0.4447098 1.876615 
1 1 1  -11    7   22 f  103.259   1.1796 10370.91  236.352 10010.90  333.399 10734.62  335.112  101.455   1.6929  105.064   1.6431 -3.609505 2.359176 
1 1 1  -11    7   23 o   79.654   1.0521  6172.47  162.576  6082.65  233.081  6257.56  226.878   79.086   1.5182   80.221   1.4569 -1.135292 2.104211 
1 1 1  -11    7   24 o   61.414   1.0106  3664.65  120.171  3711.82  176.906  3624.24  163.749   61.777   1.4752   61.051   1.3817 0.7253456 2.021231 
1 1 1  -11    7   25 o   67.876   1.0649  4486.30  140.079  4422.61  203.273  4543.90  193.306   67.412   1.5534   68.341   1.4571 -0.9291611 2.129846 
1 1 1  -11    7   26 f   57.480   1.1126  3200.32  123.581  3392.86  185.613  3047.01  165.630   59.019   1.6201   55.941   1.5253 3.077579 2.225139 
1 1 1  -11    7   27 o   76.762   1.1370  5734.50  169.088  5959.33  248.725  5541.31  230.559   78.150   1.6396   75.374   1.5758 2.775520 2.274030 
1 1 1  -11    7   28 o   52.884   1.1467  2730.43  117.400  2467.02  163.315  3012.11  168.883   50.235   1.6748   55.533   1.5667 -5.297844 2.293313 
1 1 1  -11    7   29 o   29.882   1.6722  891.569   95.667  730.210  136.046  1049.41  134.554   27.127   2.5835   32.636   2.1239 -5.508909 3.344496 
1 1 1  -11    7   30 o   8.2066   2.5738 -44.0924   85.410 -132.3247  127.359   28.022  115.140   7.2325   3.4223   9.1807   3.8453 -1.948199 5.147666 
1 1 1  -11    7   31 o   10.947   2.8535   85.660   90.514 -43.3103  133.326  195.919  123.276   8.4862   3.8265   13.407   4.2341 -4.921080 5.707017 
1 1 1  -11    7   32 o   20.759   2.5610  468.206   99.708  556.897  142.182  382.382  139.864   23.068   3.1751   18.449   4.0191 4.619362 5.121979 
1 1 1  -11    7   33 f   14.749   3.2050  249.804  104.873  366.061  156.321  154.654  141.420   17.438   4.5647   12.059   4.5001 5.378049 6.409955 
1 1 1  -11    7   34 f   13.250   3.3073  218.374  107.331  179.945  158.521  250.904  145.848   12.405   4.7341   14.094   4.6195 -1.688945 6.614545 
1 1 1  -11    8    1 o  148.817   1.0082 21483.14  290.477 21290.36  395.877 21708.01  427.540  148.095   1.3771  149.539   1.4728 -1.443893 2.016326 
1 1 1  -11    8    2 o  256.573   1.4266 63910.66  710.482 63595.90  999.160 64232.61  1010.48  255.934   2.0111  257.211   2.0238 -1.277496 2.853163 
1 1 1  -11    8    3 o  177.661   1.1717 30641.81  404.099 30680.16  570.793 30603.28  572.175  177.772   1.6541  177.549   1.6601 0.2230072 2.343492 
1 1 1  -11    8    4 o  289.120   1.5037 81158.44  843.877 80837.65  1187.98 81485.18  1198.93  288.544   2.1210  289.697   2.1320 -1.152832 3.007309 
1 1 1  -11    8    5 o  229.878   1.3467 51303.34  600.914 51075.78  846.927 51534.03  852.743  229.365   1.9022  230.392   1.9067 -1.026474 2.693304 
1 1 1  -11    8    6 o  277.518   1.4841 74775.36  799.468 75045.06  1136.91 74511.55  1124.43  278.013   2.1067  277.024   2.0910 0.9892273 2.968206 
1 1 1  -11    8    7 o  190.518   1.2337 35238.60  456.254 35206.69  643.014 35270.95  647.490  190.431   1.7395  190.605   1.7500 -0.1734314 2.467432 
1 1 1  -11    8    8 o  210.436   1.2973 42994.14  529.927 43136.70  751.828 42853.39  747.054  210.783   1.8375  210.090   1.8318 0.6931152 2.594572 
1 1 1  -11    8    9 o  117.104   1.0622 13240.58  232.907 13583.59  386.239 13044.58  291.962  118.286   1.6821  115.921   1.2975 2.364464 2.124375 
1 1 1  -11    8   10 o   53.818   0.7806  2822.68   81.105  2688.30  119.432  2937.68  110.490   52.625   1.1691   55.012   1.0347 -2.387604 1.561219 
1 1 1  -11    8   11 o  294.898   1.7506 84468.25  1002.10 83400.58  1410.56 85556.23  1423.91  293.017   2.4799  296.780   2.4716 -3.763428 3.501263 
1 1 1  -11    8   12 o  256.424   1.6670 63858.32  829.624 63107.39  1160.71 64642.65  1186.24  254.885   2.3459  257.964   2.3689 -3.079681 3.333929 
1 1 1  -11    8   13 o  139.847   1.3093 18991.92  355.410 18749.13  498.907 19242.09  506.430  138.940   1.8498  140.754   1.8535 -1.814484 2.618641 
1 1 1  -11    8   14 f   53.188   0.8113  2736.00   82.874  2817.75  127.612  2676.38  108.982   53.871   1.2203   52.505   1.0693 1.366714 1.622506 
1 1 1  -11    8   15 o   74.932   2.0543  5675.58  191.585  5743.87  204.460  5184.04  548.558   76.911   1.3695   72.953   3.8736 3.957932 4.108558 
1 1 1  -11    8   16 o  107.295   1.8594 11369.18  291.132 10936.29  698.243 11460.28  320.302  105.966   3.3945  108.625   1.5190 -2.659256 3.718888 
1 1 1  -11    8   17 o   47.131   2.7407  2232.31  103.946  2099.83  481.291  2238.79  106.459   46.248   5.3611   48.015   1.1422 -1.767002 5.481389 
1 1 1  -11    8   18 o  116.481   1.8713 13286.77  335.801 13082.99  755.339 13336.97  374.885  115.810   3.3599  117.151   1.6485 -1.341835 3.742553 
1 1 1  -11    8   19 o   64.517   2.3116  4044.61  152.863  4080.66  556.845  4041.68  158.970   64.529   4.4455   64.505   1.2696 0.2393341E-01 4.623191 
1 1 1  -11    8   20 o  123.655   1.9085 14724.48  365.093 15209.20  826.276 14606.89  406.976  124.741   3.4123  122.568   1.7105 2.173370 3.817038 
1 1 1  -11    8   21 o   37.735   1.0027  1386.08   73.321  1436.93  102.038  1331.80  105.429   38.454   1.3670   37.017   1.4672 1.436752 2.005318 
1 1 1  -11    8   22 o   52.412   0.9732  2673.54   98.678  2622.08  144.842  2718.12  134.802   51.937   1.4367   52.886   1.3131 -0.9491386 1.946308 
1 1 1  -11    8   23 f   55.030   0.9935  2937.65  105.875  3036.99  156.116  2853.05  144.069   55.887   1.4390   54.172   1.3700 1.714230 1.986910 
1 1 1  -11    8   24 o   80.827   1.0693  6359.38  167.650  6107.88  238.011  6607.05  236.186   79.235   1.5474   82.418   1.4763 -3.182877 2.138685 
1 1 1  -11    8   25 o   43.031   1.1434  1807.17   94.617  1766.75  143.119  1838.56  126.106   42.593   1.7310   43.468   1.4945 -0.8756561 2.286894 
1 1 1  -11    8   26 o   83.828   1.1699  6846.99  190.220  6833.57  274.280  6859.43  264.035   83.743   1.6873   83.914   1.6209 -0.1710892 2.339710 
1 1 1  -11    8   27 o   18.836   2.4285  357.844   86.299  431.478  125.535  291.864  118.831   20.882   3.0968   16.790   3.7416 4.092113 4.856955 
1 1 1  -11    8   28 o   66.143   1.1399  4268.33  146.236  4480.59  211.804  4074.97  202.153   67.712   1.6114   64.574   1.6127 3.137970 2.279791 
1 1 1  -11    8   29 o   45.163   1.2033  2004.30  105.128  1928.23  153.411  2071.64  144.350   44.332   1.7827   45.995   1.6167 -1.662823 2.406617 
1 1 1  -11    8   30 o   10.771   2.7119   46.699   84.944  224.102  128.167 -92.2698  113.437   14.385   4.2761   7.1582   3.3365 7.226352 5.423786 
1 1 1  -11    8   31 o   32.895   1.5784  1088.51   99.848  1034.19  149.417  1132.34  134.215   32.072   2.4000   33.717   2.0506 -1.645447 3.156721 
1 1 1  -11    8   32 o   20.877   2.5888  479.498  100.863  396.318  146.200  555.046  139.331   18.704   4.1365   23.050   3.1140 -4.346228 5.177579 
1 1 1  -11    8   33 o   8.1816   2.6717 -67.9834   98.535 -45.3478  148.016 -85.9983  132.047   8.6759   3.9591   7.6872   3.5886 0.9886951 5.343478 
1 1 1  -11    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11    9    1 o  110.366   0.9447 11802.30  200.655 11987.00  305.523 11662.21  266.086  111.123   1.4164  109.609   1.2506 1.513809 1.889454 
1 1 1  -11    9    2 f  200.437   1.2506 38999.31  486.566 38634.83  683.802 39373.11  692.497  199.489   1.7658  201.385   1.7714 -1.896835 2.501218 
1 1 1  -11    9    3 o   40.617   0.4722  1599.67   37.179  1630.21   54.247  1572.61   51.056   40.982   0.6819   40.252   0.6534 0.7304764 0.9444181 
1 1 1  -11    9    4 o  171.023   1.1560 28391.02  383.740 28046.10  539.107 28745.26  546.345  169.970   1.6339  172.076   1.6356 -2.105499 2.311932 
1 1 1  -11    9    5 o   53.849   0.6235  2801.74   62.705  2768.13   78.385  2861.47  104.498   53.403   0.7561   54.295   0.9915 -0.8920250 1.246909 
1 1 1  -11    9    6 f  179.923   1.2538 31421.91  435.013 31486.10  654.141 31371.01  582.479  180.085   1.8712  179.761   1.6692 0.3240662 2.507564 
1 1 1  -11    9    7 o  195.946   1.2440 37276.39  473.190 37122.92  668.879 37430.15  669.505  195.543   1.7621  196.350   1.7565 -0.8076630 2.488085 
1 1 1  -11    9    8 o  214.543   1.3111 44682.13  545.978 44210.84  765.137 45171.05  779.317  213.391   1.8471  215.695   1.8613 -2.304337 2.622255 
1 1 1  -11    9    9 o  325.880   1.6937 103229.10  1068.68 101651.80  1561.59 104618.60  1465.66  323.530   2.4865  328.231   2.3003 -4.700958 3.387349 
1 1 1  -11    9   10 o  100.619   1.0441  9822.66  203.870 10072.48  292.987  9588.16  283.861  101.858   1.4818   99.379   1.4714 2.478821 2.088272 
1 1 1  -11    9   11 o   58.498   0.8211  3324.60   92.661  3298.30  138.716  3345.79  124.517   58.289   1.2260   58.708   1.0926 -0.4193573 1.642190 
1 1 1  -11    9   12 o  216.576   1.5934 45563.67  669.812 45670.60  940.645 45453.67  954.009  216.835   2.2348  216.317   2.2719 0.5184174 3.186830 
1 1 1  -11    9   13 o  102.180   1.0914 10135.39  216.450 10328.57  309.507  9950.48  302.816  103.132   1.5460  101.227   1.5411 1.905052 2.182884 
1 1 1  -11    9   14 o  140.394   1.2816 19145.33  349.236 19181.56  497.594 19110.17  490.276  140.524   1.8241  140.264   1.8007 0.2602844 2.563171 
1 1 1  -11    9   15 o   81.270   0.9913  6408.04  156.253  6538.84  226.684  6289.63  215.676   82.059   1.4231   80.481   1.3805 1.577759 1.982671 
1 1 1  -11    9   16 o   86.596   2.2052  8019.45  240.889  6384.78  654.211  8275.84  259.093   80.883   4.1667   92.309   1.4459 -11.42608 4.410485 
1 1 1  -11    9   17 o   85.818   2.0172  7309.84  226.219  6985.90  618.958  7359.78  243.032   84.593   3.7693   87.042   1.4384 -2.449638 4.034433 
1 1 1  -11    9   18 o  116.445   1.8915 13305.66  343.203 13032.06  759.380 13375.89  384.738  115.573   3.3848  117.317   1.6894 -1.744331 3.783036 
1 1 1  -11    9   19 o   85.174   2.4336  7736.19  249.318  6273.33  718.016  7936.75  265.860   79.972   4.6252   90.377   1.5154 -10.40475 4.867142 
1 1 1  -11    9   20 o   31.289   4.3771  1134.58   90.336  817.059  518.432  1144.52   91.740   28.258   8.6452   34.320   1.3770 -6.062046 8.754160 
1 1 1  -11    9   21 o   98.308   2.4753  9828.08  307.229  8966.36  863.203  9953.07  328.757   95.443   4.6591  101.173   1.6740 -5.729973 4.950698 
1 1 1  -11    9   22 o   46.316   0.9782  2084.19   87.247  2091.47  132.093  2078.55  116.201   46.383   1.4671   46.248   1.2943 0.1353683 1.956435 
1 1 1  -11    9   23 o   25.198   1.5243  614.173   73.209  642.899  116.182  595.256   94.282   25.674   2.3312   24.722   1.9647 0.9520454 3.048694 
1 1 1  -11    9   24 o   20.299   1.9918  405.895   76.422  390.884  121.682  415.672   98.207   19.967   3.1394   20.631   2.4522 -0.6637268 3.983573 
1 1 1  -11    9   25 o   85.490   1.1577  7116.77  191.788  7092.00  279.332  7138.87  263.793   85.341   1.6862   85.639   1.5868 -0.2975235 2.315412 
1 1 1  -11    9   26 o   82.493   1.1679  6630.12  186.865  6647.67  270.118  6614.01  258.780   82.592   1.6848   82.395   1.6179 0.1963654 2.335885 
1 1 1  -11    9   27 o   24.450   1.8880  587.804   89.466  636.315  129.167  543.070  124.037   25.425   2.6171   23.475   2.7220 1.950043 3.776020 
1 1 1  -11    9   28 o   57.001   1.1336  3167.16  125.271  3370.15  182.605  2986.71  172.175   58.722   1.6019   55.280   1.6045 3.442009 2.267296 
1 1 1  -11    9   29 o   23.333   2.0130  550.996   89.787  477.196  132.619  613.451  122.001   21.802   3.1336   24.864   2.5277 -3.061954 4.025954 
1 1 1  -11    9   30 o   29.314   1.6409  868.133   91.936  768.112  137.187  949.673  123.865   27.679   2.5533   30.949   2.0617 -3.270271 3.281765 
1 1 1  -11    9   31 o   13.170   3.1229  187.184   95.151  145.067  148.595  216.456  123.880   12.333   4.6107   14.007   4.2132 -1.673453 6.245787 
1 1 1  -11    9   32 o   12.610   2.9838  165.241   94.424   52.031  138.034  264.809  129.450   10.033   4.2068   15.187   4.2327 -5.153803 5.967664 
1 1 1  -11    9   33 o   21.156   2.6055  510.183  101.057  420.742  154.162  577.577  133.820   18.896   4.2997   23.416   2.9441 -4.519859 5.211026 
1 1 1  -11    9   34 o   11.544   3.2129  142.237  104.889  129.406  166.490  150.682  135.063   11.480   4.6978   11.608   4.3842 -0.1280680 6.425735 
1 1 1  -11   10    1 o  233.199   1.2781 52778.53  573.780 52660.85  763.392 52931.33  869.893  232.904   1.6885  233.494   1.9192 -0.5896454 2.556269 
1 1 1  -11   10    2 o  126.813   0.9271 15604.30  227.509 15532.14  309.336 15689.31  335.781  126.494   1.2598  127.131   1.3606 -0.6370544 1.854279 
1 1 1  -11   10    3 o  251.313   1.4125 61319.90  689.062 61236.20  971.890 61404.51  977.092  251.141   1.9936  251.486   2.0015 -0.3445892 2.824960 
1 1 1  -11   10    4 o  109.193   1.0037 11533.47  204.689 11426.63  256.020 11722.75  340.773  108.496   1.2156  109.889   1.5975 -1.392166 2.007430 
1 1 1  -11   10    5 o  293.361   1.5297 83561.74  871.105 83684.38  1231.27 83438.84  1232.59  293.577   2.1606  293.145   2.1661 0.4312744 3.059383 
1 1 1  -11   10    6 o  186.425   1.2902 33806.06  464.781 34467.15  631.430 33024.32  686.634  188.421   1.7264  184.429   1.9179 3.991516 2.580454 
1 1 1  -11   10    7 o  118.627   0.8950 13660.53  206.095 13700.56  291.790 13620.68  291.135  118.800   1.2653  118.454   1.2661 0.3468246 1.789983 
1 1 1  -11   10    8 o  214.525   1.3153 44681.43  547.685 44631.45  770.252 44732.54  778.906  214.404   1.8507  214.646   1.8694 -0.2419739 2.630521 
1 1 1  -11   10    9 o   86.234   0.8642  7222.79  138.611  7204.18  231.895  7233.14  172.896   86.146   1.3867   86.322   1.0318 -0.1766052 1.728481 
1 1 1  -11   10   10 o  155.601   1.3721 23507.41  414.376 23358.69  579.662 23662.83  592.585  155.098   1.9253  156.104   1.9556 -1.005356 2.744280 
1 1 1  -11   10   11 o  140.546   1.3066 19163.20  356.197 19610.60  516.202 18756.54  492.137  142.110   1.8712  138.982   1.8242 3.127289 2.613256 
1 1 1  -11   10   12 o  185.978   1.4790 33595.02  533.927 33566.57  753.713 33623.67  756.468  185.899   2.0886  186.057   2.0945 -0.1576385 2.957931 
1 1 1  -11   10   13 o  108.848   1.1289 11493.44  238.353 11817.35  345.217 11198.36  329.496  110.311   1.6122  107.384   1.5807 2.926674 2.257793 
1 1 1  -11   10   14 o   52.734   0.7889  2696.59   80.085  2725.21  121.660  2674.70  106.386   52.980   1.1830   52.488   1.0441 0.4912796 1.577854 
1 1 1  -11   10   15 o  196.516   1.4779 37591.04  558.693 37010.40  845.493 38041.07  744.358  195.152   2.2319  197.881   1.9378 -2.729080 2.955749 
1 1 1  -11   10   16 o   70.380   2.0847  4751.12  161.272  4908.21  547.834  4736.21  168.750   70.924   3.9792   69.837   1.2448 1.086746 4.169333 
1 1 1  -11   10   17 o   72.971   2.2176  5576.99  183.415  4724.15  571.915  5674.77  193.644   69.505   4.2389   76.437   1.3051 -6.931496 4.435222 
1 1 1  -11   10   18 o   67.750   2.0819  4121.56  150.956  4911.97  546.359  4056.23  157.070   70.877   3.9711   64.623   1.2521 6.254738 4.163780 
1 1 1  -11   10   19 o  116.962   2.0803 13212.49  356.439 13525.86  863.608 13148.14  391.325  117.623   3.7823  116.301   1.7334 1.321701 4.160607 
1 1 1  -11   10   20 o  103.338   2.1823 10797.94  308.935  9900.65  789.963 10959.94  335.668  100.497   4.0494  106.178   1.6286 -5.681221 4.364598 
1 1 1  -11   10   21 f   46.603   4.1955  2797.05  129.180  1596.92  608.942  2853.60  132.189   39.012   8.2963   54.194   1.2565 -15.18216 8.390913 
1 1 1  -11   10   22 o  103.259   1.1639 10370.41  233.130 10355.09  335.803 10384.66  323.909  103.181   1.6766  103.336   1.6147 -0.1551132 2.327712 
1 1 1  -11   10   23 o   68.472   1.0288  4562.44  136.050  4528.85  202.507  4590.08  183.676   68.235   1.5289   68.709   1.3771 -0.4736481 2.057648 
1 1 1  -11   10   24 f   47.542   1.0645  2197.17   97.645  2216.20  146.656  2182.01  130.870   47.720   1.5832   47.363   1.4234 0.3572998 2.128998 
1 1 1  -11   10   25 o  104.961   4.7979 11528.19  901.186 10533.46  1575.71 12011.72  1098.60  100.384   8.0862  109.538   5.1666 -9.154266 9.595894 
1 1 1  -11   10   26 o   52.990   1.1058  2738.79  113.398  2686.91  166.114  2784.07  155.183   52.511   1.6296   53.469   1.4951 -0.9576111 2.211576 
1 1 1  -11   10   27 o   15.434   2.8765  245.819   87.248  275.286  129.609  221.401  117.983   16.246   4.1075   14.622   4.0281 1.623877 5.752978 
1 1 1  -11   10   28 o   28.848   1.6620  826.331   92.271  717.627  132.276  929.360  128.777   26.951   2.5283   30.744   2.1578 -3.792797 3.323934 
1 1 1  -11   10   29 o   34.022   1.4431  1139.41   94.820  1148.76  141.635  1131.83  127.644   34.124   2.1382   33.921   1.9385 0.2036133 2.886109 
1 1 1  -11   10   30 o   16.106   2.8030  274.194   89.458  396.060  134.366  177.167  119.893   19.248   3.7309   12.965   4.1843 6.283150 5.606070 
1 1 1  -11   10   31 o   10.062   2.9144   57.377   89.996   72.053  136.826   46.186  119.478   10.548   4.2808   9.5766   3.9560 0.9716759 5.828829 
1 1 1  -11   10   32 o   14.808   3.0293  250.514   91.664  278.079  137.622  228.535  122.890   15.473   4.3827   14.143   4.1832 1.329662 6.058650 
1 1 1  -11   10   33 o   23.434   2.2554  578.194  101.416  649.129  158.598  529.125  131.910   24.533   3.3303   22.335   3.0425 2.197819 4.510838 
1 1 1  -11   11    1 o   91.799   0.7253  8182.27  129.136  8243.57  179.450  8116.43  185.977   92.156   1.0031   91.442   1.0477 0.7137756 1.450514 
1 1 1  -11   11    2 o  137.280   0.9558 18249.87  253.637 17833.47  341.721 18760.69  378.484  135.541   1.2988  139.018   1.4025 -3.477417 1.911517 
1 1 1  -11   11    3 o  219.879   1.2667 46790.60  535.328 45929.48  706.002 47955.38  821.106  217.510   1.6721  222.248   1.9033 -4.737900 2.533432 
1 1 1  -11   11    4 o  191.715   1.2246 35679.79  455.706 35360.07  640.935 36006.64  648.054  190.847   1.7301  192.584   1.7335 -1.736877 2.449120 
1 1 1  -11   11    5 o  106.138   0.8342 10933.99  171.868 10784.08  241.631 11087.48  244.511  105.402   1.1810  106.874   1.1786 -1.472435 1.668459 
1 1 1  -11   11    6 o  230.306   1.3642 51492.91  609.864 50956.59  856.840 52043.58  868.228  229.091   1.9268  231.521   1.9319 -2.430328 2.728464 
1 1 1  -11   11    7 o  240.227   1.4042 56032.79  654.799 55854.82  925.159 56211.43  926.894  239.845   1.9871  240.609   1.9845 -0.7645416 2.808353 
1 1 1  -11   11    8 o  362.530   1.7901 127512.10  1252.85 126457.50  1682.59 128824.30  1876.87  360.860   2.4020  364.200   2.6548 -3.339691 3.580159 
1 1 1  -11   11    9 f  236.958   1.4958 54508.12  681.777 54636.82  1037.08 54410.16  904.765  237.196   2.2524  236.719   1.9690 0.4774475 2.991647 
1 1 1  -11   11   10 o  147.001   1.3444 20984.64  383.586 21080.09  539.586 20887.11  545.405  147.339   1.8866  146.662   1.9157 0.6770325 2.688727 
1 1 1  -11   11   11 o   48.715   0.7459  2273.30   68.897  2441.78  111.660  2169.73   87.551   50.153   1.1469   47.278   0.9540 2.875072 1.491820 
1 1 1  -11   11   12 o  181.043   1.4916 31835.13  524.145 32026.82  747.852 31650.08  734.826  181.578   2.1217  180.508   2.0971 1.069427 2.983215 
1 1 1  -11   11   13 o  140.546   1.3135 19176.34  358.214 18489.25  500.393 19898.57  513.027  137.965   1.8684  143.128   1.8465 -5.162903 2.626907 
1 1 1  -11   11   14 o   86.835   0.8753  7355.88  139.501  7213.69  239.015  7429.33  171.798   86.190   1.4286   87.479   1.0117 -1.289330 1.750532 
1 1 1  -11   11   15 o  117.433   1.1789 13410.60  267.892 13182.99  393.029 13608.11  366.113  116.497   1.7380  118.368   1.5934 -1.871002 2.357831 
1 1 1  -11   11   16 o   82.439   1.9946  7088.55  214.645  5988.84  569.318  7270.77  231.747   78.356   3.7430   86.522   1.3798 -8.165413 3.989195 
1 1 1  -11   11   17 o   44.042   2.5505  1804.63   90.768  1992.95  435.621  1796.08   92.805   45.077   4.9784   43.006   1.1117 2.071075 5.100965 
1 1 1  -11   11   18 o   81.000   2.3739  7067.82  226.744  5592.96  663.505  7262.84  241.270   75.539   4.5249   86.461   1.4375 -10.92216 4.747771 
1 1 1  -11   11   19 o  124.654   1.9459 15283.46  382.567 14899.36  831.655 15386.56  430.860  123.505   3.4689  125.804   1.7643 -2.299477 3.891821 
1 1 1  -11   11   20 o   62.610   2.4502  4010.43  154.804  3627.18  557.305  4042.47  161.145   60.717   4.7285   64.504   1.2870 -3.787090 4.900475 
1 1 1  -11   11   21 o   31.127   4.3002  547.859   82.115  1594.35  616.514  528.959   82.853   38.935   8.4035   23.319   1.8304 15.61648 8.600482 
1 1 1  -11   11   22 o   23.186   1.5529  515.677   69.297  587.765  106.866  463.373   91.029   24.561   2.2414   21.811   2.1500 2.749998 3.105854 
1 1 1  -11   11   23 o   40.338   1.1097  1598.61   85.389  1489.94  131.093  1678.69  112.536   39.126   1.7261   41.550   1.3953 -2.424427 2.219458 
1 1 1  -11   11   24 o   47.485   1.1086  2172.20  101.228  2351.75  156.373  2042.68  132.810   49.151   1.6390   45.819   1.4932 3.331863 2.217172 
1 1 1  -11   11   25 o   36.005   1.2998  1252.65   90.261  1354.98  137.411  1174.98  119.709   37.283   1.8987   34.728   1.7758 2.555111 2.599679 
1 1 1  -11   11   26 o   22.541   1.9612  496.185   85.023  519.407  130.560  479.085  112.035   22.981   2.9266   22.101   2.6115 0.8805351 3.922365 
1 1 1  -11   11   27 o   36.961   1.3279  1344.17   94.669  1203.40  136.267  1475.48  131.617   35.061   2.0022   38.862   1.7447 -3.801754 2.655702 
1 1 1  -11   11   28 o   59.510   1.1283  3453.70  130.165  3649.10  189.959  3280.75  178.718   61.091   1.6018   57.929   1.5893 3.161976 2.256510 
1 1 1  -11   11   29 o   37.514   1.3577  1371.53   98.375  1523.42  148.415  1252.50  131.383   39.343   1.9433   35.686   1.8966 3.657818 2.715445 
1 1 1  -11   11   30 o   22.618   1.9591  500.406   84.631  631.363  134.144  413.816  109.079   25.000   2.7642   20.236   2.7769 4.763853 3.918160 
1 1 1  -11   11   31 o   33.304   1.5308  1103.14   97.867  1146.68  151.174  1071.73  128.407   33.803   2.3039   32.806   2.0164 0.9970093 3.061662 
1 1 1  -11   11   32 o   16.102   2.7553  311.159   93.957  139.143  146.335  431.810  122.555   11.913   4.5480   20.290   3.1115 -8.377496 5.510519 
1 1 1  -11   11   33 o   15.310   3.0165  273.432   96.011  378.571  142.277  185.520  130.100   17.944   4.1648   12.675   4.3649 5.269004 6.033042 
1 1 1  -11   12    1 o  192.564   1.1784 36001.92  437.948 36028.71  588.720 35968.73  655.325  192.647   1.5743  192.482   1.7539 0.1652527 2.356796 
1 1 1  -11   12    2 f   48.867   0.5883  2309.30   53.786  2286.08   67.424  2349.92   89.193   48.531   0.7157   49.203   0.9338 -0.6722069 1.176553 
1 1 1  -11   12    3 o  194.012   1.1819 36431.85  441.685 35688.23  586.533 37405.89  671.282  191.734   1.5759  196.289   1.7617 -4.554718 2.363729 
1 1 1  -11   12    4 o   68.569   0.6127  4563.80   81.555  4570.34  114.767  4557.13  115.914   68.619   0.8616   68.519   0.8715 0.9926605E-01 1.225496 
1 1 1  -11   12    5 o  140.011   1.0250 19026.81  278.561 19301.63  397.082 18760.50  390.881  141.006   1.4507  139.015   1.4485 1.990585 2.050040 
1 1 1  -11   12    6 o  306.564   1.5690 91244.21  933.574 90242.74  1308.25 92283.36  1332.63  304.850   2.2108  308.277   2.2269 -3.426361 3.137925 
1 1 1  -11   12    7 o  122.619   1.0685 14631.55  247.996 14757.12  317.982 14436.60  396.223  123.296   1.3286  121.943   1.6739 1.352226 2.137037 
1 1 1  -11   12    8 o   92.444   0.9287  8326.08  160.028  8187.00  265.422  8405.51  200.586   91.833   1.4889   93.055   1.1104 -1.221848 1.857412 
1 1 1  -11   12    9 f  159.442   1.3640 24659.81  398.268 24759.89  689.615 24609.73  487.849  159.673   2.2249  159.211   1.5785 0.4618835 2.727987 
1 1 1  -11   12   10 o  168.211   1.4622 27480.27  477.414 27760.96  673.564 27196.89  676.777  169.075   2.0523  167.347   2.0834 1.727921 2.924413 
1 1 1  -11   12   11 o  105.792   2.0959 10873.46  430.175 10985.18  620.199 10769.89  597.172  106.313   3.0052  105.270   2.9223 1.043007 4.191831 
1 1 1  -11   12   12 o   87.476   0.9944  7425.58  168.507  7494.19  246.857  7365.71  230.584   87.853   1.4475   87.099   1.3638 0.7543030 1.988791 
1 1 1  -11   12   13 o   71.340   0.8891  4944.22  123.008  4872.00  177.125  5011.51  170.960   70.836   1.2881   71.844   1.2259 -1.008324 1.778208 
1 1 1  -11   12   14 o   79.536   0.8411  6154.32  121.299  6107.05  213.515  6176.85  147.395   79.305   1.3870   79.766   0.9519 -0.4615021 1.682199 
1 1 1  -11   12   15 o   19.842   1.2272  386.210   46.579  357.449   70.668  408.303   61.938   19.181   1.8980   20.503   1.5562 -1.322474 2.454398 
1 1 1  -11   12   16 o   68.753   0.9004  4587.21  120.061  4671.26  174.136  4511.05  165.758   69.353   1.2935   68.154   1.2529 1.198341 1.800796 
1 1 1  -11   12   17 o   83.893   1.8669  6746.03  207.953  6997.03  570.044  6707.50  223.345   84.688   3.4675   83.097   1.3846 1.591423 3.733747 
1 1 1  -11   12   18 f  133.255   1.9607 17590.38  414.157 16794.42  889.395 17810.76  467.994  131.151   3.4935  135.359   1.7811 -4.208099 3.921320 
1 1 1  -11   12   19 o   62.544   2.4953  4154.33  157.083  3447.15  554.392  4216.06  163.796   59.210   4.8235   65.877   1.2809 -6.667496 4.990623 
1 1 1  -11   12   20 o  120.850   2.0625 14071.04  369.353 14529.01  883.663 13974.09  406.572  121.824   3.7367  119.877   1.7472 1.947014 4.125009 
1 1 1  -11   12   21 f   53.430   3.1383  2889.39  128.672  2719.10  624.130  2896.95  131.497   52.256   6.1529   54.604   1.2406 -2.348366 6.276686 
1 1 1  -11   12   22 o   20.967   4.5346  220.338   86.068  803.721  497.957  202.373   87.383   27.832   8.4640   14.103   3.2575 13.72858 9.069268 
1 1 1  -11   12   23 o   67.879   1.0544  4497.30  138.111  4316.30  204.416  4649.31  187.336   66.609   1.5809   69.148   1.3956 -2.539513 2.108841 
1 1 1  -11   12   24 o   35.593   1.3006  1232.73   88.341  1242.75  138.492  1225.86  114.709   35.702   1.9983   35.483   1.6654 0.2191849 2.601284 
1 1 1  -11   12   25 o   58.535   1.0691  3329.57  120.872  3387.92  180.911  3282.51  162.453   58.990   1.5799   58.080   1.4409 0.9099045 2.138260 
1 1 1  -11   12   26 o   68.798   1.0936  4619.25  145.378  4530.69  215.069  4693.76  197.272   68.176   1.6251   69.420   1.4639 -1.244072 2.187228 
1 1 1  -11   12   27 o   53.396   1.1242  2785.12  116.243  2748.07  169.755  2817.84  159.509   53.051   1.6484   53.742   1.5290 -0.6917114 2.248351 
1 1 1  -11   12   28 o   58.344   1.1378  3331.64  128.432  3300.67  189.045  3358.18  175.024   58.073   1.6770   58.615   1.5382 -0.5423622 2.275610 
1 1 1  -11   12   29 o   37.422   1.3042  1354.50   93.244  1502.05  148.212  1257.84  119.958   39.051   1.9552   35.794   1.7265 3.257748 2.608315 
1 1 1  -11   12   30 o   10.828   2.8596   86.603   82.023  167.078  129.122   32.159  106.204   12.721   4.3497   8.9353   3.7136 3.786159 5.719282 
1 1 1  -11   12   31 o   15.605   2.9166  261.407   90.752  363.878  140.101  187.329  119.120   18.100   4.0845   13.110   4.1645 4.990211 5.833227 
1 1 1  -11   12   32 o   20.949   2.4266  473.368   95.897  470.224  143.033  475.936  129.250   20.622   3.7095   21.276   3.1295 -0.6545219 4.853245 
1 1 1  -11   12   33 o   16.549   3.1144  327.641  101.874  382.419  151.779  282.728  137.432   17.811   4.4126   15.286   4.3962 2.524981 6.228775 
1 1 1  -11   13    1 o   98.953   0.9015  9526.35  165.006  9575.85  204.676  9434.44  278.880   99.323   1.0616   98.582   1.4573 0.7405167 1.802975 
1 1 1  -11   13    2 o   21.857   0.6507  476.335   26.797  397.567   41.026  534.941   35.388   20.238   1.0443   23.476   0.7765 -3.238024 1.301385 
1 1 1  -11   13    3 o  121.252   0.8790 14279.02  206.565 14408.45  284.933 14135.65  299.896  121.832   1.2048  120.673   1.2803 1.159882 1.758011 
1 1 1  -11   13    4 o  192.714   1.1908 36010.75  442.778 35655.47  593.040 36458.27  665.587  191.643   1.5941  193.784   1.7694 -2.140152 2.381592 
1 1 1  -11   13    5 o  329.556   1.7669 105473.80  1130.34 105966.90  1603.47 104986.70  1593.65  330.322   2.5007  328.791   2.4969 1.531036 3.533853 
1 1 1  -11   13    6 o  150.667   1.3643 21953.31  371.269 21803.79  448.439 22279.13  661.971  149.865   1.5415  151.470   2.2514 -1.605423 2.728522 
1 1 1  -11   13    7 o  294.920   1.5450 84456.62  884.503 84588.15  1253.52 84326.18  1248.25  295.148   2.1879  294.691   2.1821 0.4570313 3.090029 
1 1 1  -11   13    8 o  186.164   1.2353 33646.96  446.396 33449.50  628.409 33848.09  634.231  185.613   1.7441  186.715   1.7499 -1.102432 2.470598 
1 1 1  -11   13    9 o  265.180   1.5908 68307.28  813.441 68194.59  1222.21 68396.89  1089.89  264.974   2.3762  265.386   2.1156 -0.4123840 3.181516 
1 1 1  -11   13   10 o  196.416   1.6902 37385.99  633.454 37947.32  995.206 37003.68  821.310  197.639   2.5940  195.193   2.1676 2.445511 3.380456 
1 1 1  -11   13   11 o   90.067   1.0117  7871.65  176.656  7959.82  257.092  7792.78  243.150   90.544   1.4627   89.590   1.3981 0.9537201 2.023463 
1 1 1  -11   13   12 o   71.635   0.8765  4986.79  121.443  4927.14  179.018  5037.65  165.295   71.236   1.2946   72.033   1.1821 -0.7965927 1.753098 
1 1 1  -11   13   13 o   45.889   0.7642  2037.76   66.223  2073.19  107.289  2015.95   84.171   46.209   1.1961   45.570   0.9515 0.6395264 1.528409 
1 1 1  -11   13   14 o   25.447   0.9653  641.490   35.617  609.741   85.881  648.085   39.142   25.055   1.7658   25.838   0.7804 -0.7835693 1.930559 
1 1 1  -11   13   15 o   57.736   0.8158  3247.64   91.121  3020.53  131.045  3460.24  126.789   55.774   1.2104   59.698   1.0941 -3.924107 1.631603 
1 1 1  -11   13   16 o  131.351   1.2888 16748.21  327.166 16971.38  487.432 16565.22  441.356  132.139   1.9003  130.563   1.7414 1.575851 2.577516 
1 1 1  -11   13   17 f   37.103   3.0162  1431.49   83.657  1256.82  410.601  1439.05   85.449   35.712   5.9231   38.494   1.1435 -2.782730 6.032436 
1 1 1  -11   13   18 o   63.178   2.6394  4345.14  158.272  3411.75  586.325  4418.50  164.374   58.910   5.1272   67.445   1.2555 -8.535130 5.278705 
1 1 1  -11   13   19 o   38.864   3.2098  1340.96   87.685  1646.13  497.783  1331.19   89.078   40.711   6.2989   37.017   1.2397 3.693668 6.419680 
1 1 1  -11   13   20 o   70.069   3.2783  5949.38  211.534  3657.78  752.981  6145.73  220.410   60.616   6.3993   79.523   1.4278 -18.90700 6.556655 
1 1 1  -11   13   21 o   80.462   2.3696  6687.02  220.541  5898.45  678.505  6780.18  233.204   77.405   4.5156   83.520   1.4384 -6.114555 4.739193 
1 1 1  -11   13   22 o   20.261   4.9756  274.560   83.138  321.389  687.256  273.864   83.753   23.769   9.6122   16.753   2.5754 7.015825 9.951252 
1 1 1  -11   13   23 o   49.870   1.0913  2456.29  103.672  2186.93  157.342  2662.95  137.819   47.404   1.7099   52.335   1.3566 -4.931297 2.182657 
1 1 1  -11   13   24 o  111.680   1.3530 12153.69  292.272 12176.51  432.089 12134.44  396.828  111.757   1.9917  111.602   1.8317 0.1549530 2.705973 
1 1 1  -11   13   25 o   18.622   2.4341  361.874   82.457  293.698  131.732  405.793  105.732   16.889   4.0668   20.355   2.6759 -3.465866 4.868156 
1 1 1  -11   13   26 o   24.931   1.7752  608.837   85.099  616.804  129.931  602.852  112.614   25.056   2.6714   24.806   2.3387 0.2498188 3.550491 
1 1 1  -11   13   27 o   31.846   1.4813  989.260   90.751  1030.51  139.056  958.657  119.774   32.403   2.2108   31.288   1.9720 1.114511 2.962506 
1 1 1  -11   13   28 o   68.242   1.1313  4556.65  149.591  4535.01  217.997  4575.90  205.651   68.072   1.6497   68.412   1.5486 -0.3398514 2.262692 
1 1 1  -11   13   29 o   18.495   2.4801  343.401   85.992  544.760  133.022  198.845  112.709   23.285   2.9430   13.704   3.9928 9.580519 4.960226 
1 1 1  -11   13   30 o   33.063   1.5399  1072.19   97.969  1233.04  151.161  955.694  128.645   35.151   2.2153   30.975   2.1395 4.176146 3.079841 
1 1 1  -11   13   31 o   27.103   1.8815  745.986   98.905  785.192  143.255  710.275  136.719   27.785   2.6561   26.421   2.6657 1.363075 3.763052 
1 1 1  -11   13   32 o   26.768   2.0965  753.872  107.880  690.343  158.950  808.130  146.894   25.555   3.2041   27.981   2.7045 -2.425394 4.192918 
1 1 1  -11   13   33 o   17.777   3.0749  380.507  105.296  399.696  149.670  361.702  148.164   18.281   4.2913   17.273   4.4050 1.007339 6.149740 
1 1 1  -11   14    1 o  116.137   1.0274 13116.00  226.094 12990.32  360.443 13197.53  290.310  115.675   1.6052  116.599   1.2826 -0.9241180 2.054713 
1 1 1  -11   14    2 o   82.887   0.6974  6667.54  112.166  6628.84  156.142  6708.79  161.234   82.638   0.9734   83.135   0.9991 -0.4966736 1.394854 
1 1 1  -11   14    3 o  189.322   1.1782 34774.63  430.407 34588.07  577.270 35008.15  645.864  188.753   1.5755  189.891   1.7522 -1.137436 2.356324 
1 1 1  -11   14    4 o   96.081   0.7727  8964.33  144.040  9087.28  201.394  8835.58  206.093   96.755   1.0723   95.406   1.1128 1.349777 1.545358 
1 1 1  -11   14    5 o  189.916   1.1927 34949.04  436.602 34464.14  581.924 35573.52  660.389  188.414   1.5911  191.417   1.7773 -3.002747 2.385410 
1 1 1  -11   14    6 o  336.330   1.7077 109840.00  1110.96 109724.60  1508.65 109976.60  1642.08  336.145   2.3121  336.516   2.5138 -0.3705444 3.415342 
1 1 1  -11   14    7 o   89.080   0.8848  7697.85  146.193  7685.65  181.612  7720.31  246.402   88.981   1.0514   89.178   1.4234 -0.1963730 1.769611 
1 1 1  -11   14    8 o   82.256   0.8521  6559.25  130.868  6600.54  217.504  6535.82  163.844   82.457   1.3589   82.055   1.0286 0.4014511 1.704291 
1 1 1  -11   14    9 o   84.864   0.8529  7035.52  135.062  6828.81  222.658  7155.86  169.885   83.869   1.3676   85.859   1.0193 -1.989540 1.705710 
1 1 1  -11   14   10 o  347.304   1.9613 117348.80  1315.12 118652.30  1775.54 115764.40  1957.46  349.465   2.6174  345.143   2.9217 4.321533 3.922578 
1 1 1  -11   14   11 o   59.801   0.7936  3444.98   90.737  3621.73  142.677  3324.95  117.578   61.078   1.2034   58.524   1.0350 2.554001 1.587231 
1 1 1  -11   14   12 o  188.005   1.5179 34340.37  553.925 33794.78  780.543 34893.91  786.223  186.500   2.1560  189.510   2.1372 -3.010300 3.035806 
1 1 1  -11   14   13 o  108.123   1.0923 11358.03  228.082 11306.37  339.841 11400.38  307.666  107.896   1.6226  108.351   1.4628 -0.4539795 2.184604 
1 1 1  -11   14   14 o  115.929   1.0601 13077.85  227.060 12965.91  384.790 13137.66  281.245  115.538   1.7157  116.321   1.2456 -0.7829437 2.120127 
1 1 1  -11   14   15 o   97.937   1.0751  9330.06  203.991  9064.59  295.352  9572.20  282.078   96.601   1.5751   99.274   1.4638 -2.673409 2.150204 
1 1 1  -11   14   16 o   67.263   0.8704  4397.85  113.412  4329.03  165.046  4459.42  156.105   66.763   1.2735   67.764   1.1867 -1.000954 1.740747 
1 1 1  -11   14   17 o   44.229   2.9220  1961.19   93.876  1861.93  484.450  1965.07   95.690   43.475   5.7404   44.983   1.0958 -1.507977 5.844020 
1 1 1  -11   14   18 o  170.077   1.9279 28446.83  565.152 27589.51  1078.52 28771.34  663.547  168.148   3.3042  172.005   1.9873 -3.856827 3.855813 
1 1 1  -11   14   19 o   87.897   2.2340  7692.65  238.031  7353.19  709.732  7735.67  252.665   86.575   4.2231   89.218   1.4589 -2.642578 4.468025 
1 1 1  -11   14   20 o  100.701   2.1958  9904.23  292.984  9901.11  796.983  9904.72  315.044  100.467   4.0866  100.936   1.6079 -0.4691010 4.391537 
1 1 1  -11   14   21 o   70.345   2.7267  5056.33  185.212  4621.83  700.224  5089.01  192.052   68.328   5.2793   72.362   1.3672 -4.033791 5.453446 
1 1 1  -11   14   22 o   78.765   3.7178  5659.08  208.757  6731.88  1153.91  5622.78  212.259   81.483   7.2952   76.047   1.4379 5.436356 7.435578 
1 1 1  -11   14   23 f  119.395   1.3715 13895.98  317.100 13706.71  463.089 14063.08  435.110  118.613   2.0113  120.177   1.8651 -1.563591 2.742975 
1 1 1  -11   14   24 o   43.268   1.1843  1822.54   97.171  1823.58  154.980  1821.86  124.734   43.264   1.8454   43.272   1.4849 -0.8453369E-02 2.368652 
1 1 1  -11   14   25 o   41.464   1.1791  1689.19   92.964  1598.50  144.854  1752.70  121.221   40.493   1.8428   42.435   1.4716 -1.942032 2.358301 
1 1 1  -11   14   26 o   45.021   1.1725  1985.45  101.756  1897.36  151.169  2058.43  137.595   44.089   1.7663   45.953   1.5425 -1.864098 2.345036 
1 1 1  -11   14   27 o   51.207   1.1444  2550.49  113.033  2650.03  171.020  2473.28  150.620   52.075   1.6918   50.338   1.5414 1.737637 2.288718 
1 1 1  -11   14   28 o   27.873   1.6906  770.224   90.719  745.522  136.032  790.010  121.746   27.434   2.5543   28.312   2.2152 -0.8774166 3.381116 
1 1 1  -11   14   29 f   19.815   2.3257  391.538   86.280  494.811  136.097  322.140  111.565   22.105   3.1716   17.524   3.4023 4.581139 4.651315 
1 1 1  -11   14   30 o   34.079   1.4864  1156.07   97.803  1166.08  146.265  1147.98  131.534   34.168   2.2052   33.990   1.9935 0.1782875 2.972734 
1 1 1  -11   14   31 o   26.188   1.9433  691.143   96.043  939.090  144.626  495.532  128.458   30.472   2.4450   21.904   3.0212 8.568214 3.886620 
1 1 1  -11   14   32 o   11.496   2.9687   98.276   97.756  249.556  142.370 -36.6697  134.464   14.547   4.5437   8.4444   3.8220 6.102837 5.937412 
1 1 1  -11   14   33 o   10.888   3.0408   80.258  104.831  213.301  148.688 -51.2386  147.822   13.279   4.6610   8.4965   3.9066 4.782929 6.081647 
1 1 1  -11   15    1 o  105.097   0.8178 10720.71  166.636 10696.39  229.954 10747.60  241.812  104.972   1.1285  105.223   1.1839 -0.2503357 1.635559 
1 1 1  -11   15    2 o  292.126   1.4357 82739.37  804.197 82095.93  1055.92 83628.11  1240.97  290.784   1.8707  293.467   2.1784 -2.683411 2.871375 
1 1 1  -11   15    3 o  357.819   1.5913 124095.70  1096.13 122560.90  1455.09 126109.30  1666.68  355.276   2.1099  360.361   2.3826 -5.085297 3.182508 
1 1 1  -11   15    4 o   94.813   0.8990  8819.40  157.428  9039.76  195.975  8418.50  264.333   96.502   1.0462   93.123   1.4623 3.379646 1.797970 
1 1 1  -11   15    5 o  260.341   1.3793 65854.80  689.741 66139.09  912.851 65476.53  1052.97  261.003   1.8017  259.679   2.0889 1.324066 2.758550 
1 1 1  -11   15    6 o  205.768   1.2966 41108.30  517.895 40817.05  731.676 41400.72  733.154  205.037   1.8383  206.498   1.8290 -1.461136 2.593194 
1 1 1  -11   15    7 o  138.846   1.0383 18712.84  279.818 18518.21  392.259 18914.50  399.278  138.112   1.4631  139.581   1.4736 -1.469727 2.076590 
1 1 1  -11   15    8 o  163.370   1.2917 25996.80  402.377 25475.90  627.944 26359.68  524.119  161.971   1.9972  164.770   1.6387 -2.799210 2.583397 
1 1 1  -11   15    9 o  151.234   1.3888 22209.50  407.708 22419.80  579.129 22002.84  574.076  151.944   1.9635  150.524   1.9647 1.419617 2.777647 
1 1 1  -11   15   10 o  159.766   1.3947 24791.09  432.520 25179.91  611.794 24402.58  611.557  161.019   1.9573  158.512   1.9875 2.506424 2.789499 
1 1 1  -11   15   11 o   71.225   0.8789  4911.75  120.853  5050.11  181.707  4801.99  161.838   72.121   1.2979   70.329   1.1855 1.792015 1.757805 
1 1 1  -11   15   12 o  142.980   1.1736 19825.71  310.594 19951.78  526.334 19758.36  384.720  143.314   1.8919  142.646   1.3894 0.6686249 2.347295 
1 1 1  -11   15   13 o  106.190   0.9983 10928.73  193.984 11012.96  336.741 10886.90  237.317  106.488   1.6290  105.893   1.1545 0.5947189 1.996662 
1 1 1  -11   15   14 o   96.034   0.9295  8937.20  163.665  9010.52  283.018  8900.36  200.610   96.322   1.5136   95.745   1.0794 0.5761032 1.859078 
1 1 1  -11   15   15 o   86.235   1.0068  7229.63  168.299  7076.49  242.913  7371.01  233.395   85.354   1.4661   87.116   1.3802 -1.761841 2.013511 
1 1 1  -11   15   16 o   41.484   0.8250  1684.46   65.353  1592.57  100.462  1751.89   86.050   40.493   1.2781   42.475   1.0436 -1.982018 1.650044 
1 1 1  -11   15   17 o  101.644   2.0731 10392.87  288.104  9613.91  740.541 10531.80  312.742   99.179   3.8465  104.109   1.5475 -4.930222 4.146120 
1 1 1  -11   15   18 o   32.357   2.9704  601.755   72.785  1610.36  449.478  574.596   73.758   40.399   5.7316   24.316   1.5626 16.08232 5.940809 
1 1 1  -11   15   19 o   87.962   2.1730  7440.09  232.911  7699.46  704.379  7408.25  246.793   88.615   4.0948   87.309   1.4562 1.306000 4.346008 
1 1 1  -11   15   20 o   64.380   2.7894  4761.04  173.935  3306.47  608.398  4890.51  181.511   57.817   5.4209   70.944   1.3180 -13.12716 5.578817 
1 1 1  -11   15   21 o   61.920   2.8191  3422.39  140.986  4162.45  691.121  3390.26  144.014   64.773   5.4966   59.067   1.2560 5.705513 5.638296 
1 1 1  -11   15   22 o  100.782   3.1423 10468.39  334.023  9505.38  1142.49 10558.40  349.285   97.402   6.0425  104.162   1.7274 -6.759995 6.284595 
1 1 1  -11   15   23 o   85.221   1.1629  7093.17  191.655  6647.81  277.403  7499.91  265.099   82.640   1.7292   87.801   1.5554 -5.160957 2.325835 
1 1 1  -11   15   24 o   95.981   1.2643  8906.24  233.145  9427.14  360.342  8531.16  305.772   98.358   1.8873   93.605   1.6828 4.752655 2.528585 
1 1 1  -11   15   25 o   10.938   2.8512   83.895   79.587  142.248  126.634   45.799  102.321   12.494   4.3061   9.3820   3.7383 3.112012 5.702414 
1 1 1  -11   15   26 o   44.141   1.1855  1877.51   99.656  2021.39  159.404  1785.18  127.686   45.493   1.8050   42.789   1.5372 2.703846 2.370921 
1 1 1  -11   15   27 o   41.315   1.2267  1677.53   97.048  1614.99  148.514  1724.14  128.206   40.612   1.8838   42.018   1.5718 -1.405895 2.453478 
1 1 1  -11   15   28 o   72.417   1.1608  5145.72  162.659  4969.16  237.249  5302.33  223.441   71.213   1.7162   73.621   1.5635 -2.407837 2.321637 
1 1 1  -11   15   29 o   24.957   1.8232  634.695   84.412  578.336  137.960  668.419  106.720   23.934   2.9694   25.979   2.1162 -2.044611 3.646302 
1 1 1  -11   15   30 o   33.424   1.4318  1082.18   91.228  1269.56  146.916  964.582  116.386   35.676   2.1214   31.172   1.9234 4.504152 2.863561 
1 1 1  -11   15   31 o   17.187   2.6106  306.374   86.389  449.497  135.807  209.100  111.962   20.675   3.3838   13.698   3.9763 6.976843 5.221230 
1 1 1  -11   15   32 o   17.579   2.7262  340.395   89.883  430.464  140.066  277.335  117.198   19.569   3.8243   15.590   3.8863 3.978822 5.452418 
1 1 1  -11   15   33 o   8.1665   2.6569 -52.7188   97.405 -99.8529  148.600 -17.2110  128.978   7.9435   3.7396   8.3895   3.7750 -0.4459581 5.313722 
1 1 1  -11   16    1 o  118.667   0.8884 13664.46  204.235 13589.74  279.630 13749.89  299.007  118.320   1.2175  119.014   1.2942 -0.6940384 1.776886 
1 1 1  -11   16    2 o  171.839   1.1443 28689.65  379.651 28888.11  511.914 28447.08  565.960  172.502   1.5288  171.176   1.7032 1.326340 2.288697 
1 1 1  -11   16    3 o   97.257   0.9424  9175.58  168.348  9161.66  206.874  9202.86  289.662   97.151   1.0970   97.364   1.5326 -0.2130356 1.884733 
1 1 1  -11   16    4 o  158.609   1.0749 24439.11  329.679 24619.61  447.844 24225.58  487.098  159.250   1.4487  157.968   1.5885 1.282669 2.149894 
1 1 1  -11   16    5 o  140.774   1.0126 19197.35  275.491 18822.83  370.911 19658.18  411.438  139.247   1.3722  142.301   1.4895 -3.053986 2.025210 
1 1 1  -11   16    6 o  116.491   0.8782 13178.74  198.176 13262.86  272.169 13083.81  289.126  116.887   1.1995  116.094   1.2830 0.7929916 1.756365 
1 1 1  -11   16    7 o   48.619   0.6754  2317.63   57.534  2349.05   68.267  2240.60  106.886   49.194   0.7149   48.043   1.1461 1.151371 1.350783 
1 1 1  -11   16    8 o   32.500   0.6929  996.241   37.096  1080.45   77.946  971.580   42.180   33.361   1.2036   31.638   0.6868 1.723436 1.385772 
1 1 1  -11   16    9 o  270.380   1.7034 71014.20  893.997 70812.64  1259.46 71218.90  1269.20  269.994   2.4031  270.766   2.4147 -0.7722778 3.406710 
1 1 1  -11   16   10 o   63.900   0.8412  3972.33  103.666  3889.04  154.834  4040.00  139.563   63.291   1.2603   64.510   1.1145 -1.218666 1.682365 
1 1 1  -11   16   11 o  213.945   1.4959 44523.78  614.346 44105.02  939.424 44836.70  812.059  213.049   2.2715  214.842   1.9472 -1.792206 2.991869 
1 1 1  -11   16   12 o   92.802   0.9074  8385.99  153.829  8291.70  266.645  8433.03  188.328   92.404   1.4865   93.200   1.0410 -0.7967606 1.814775 
1 1 1  -11   16   13 o  102.942   0.9814 10330.82  185.025 10166.59  318.695 10414.31  227.245  102.314   1.6046  103.569   1.1303 -1.255089 1.962761 
1 1 1  -11   16   14 o  115.480   1.0424 13007.17  222.768 12766.40  375.239 13138.21  276.832  114.640   1.6862  116.320   1.2260 -1.680199 2.084790 
1 1 1  -11   16   15 o   50.113   0.7884  2450.09   76.149  2329.00  113.050  2550.67  103.029   48.972   1.1892   51.253   1.0356 -2.280949 1.576892 
1 1 1  -11   16   16 o   55.154   0.8121  2965.65   86.521  2812.81  126.775  3098.91  118.376   53.817   1.2135   56.491   1.0795 -2.674381 1.624184 
1 1 1  -11   16   17 o   78.393   2.1658  6315.90  203.938  5586.20  602.459  6410.34  216.734   75.555   4.1077   81.231   1.3745 -5.676628 4.331579 
1 1 1  -11   16   18 o   38.114   3.1304  1251.87   79.632  1622.66  483.353  1241.52   80.735   40.477   6.1517   35.752   1.1633 4.724426 6.260744 
1 1 1  -11   16   19 o   35.065   4.5366  1497.59   88.245  980.982  570.843  1510.23   89.319   30.699   8.9978   39.430   1.1670 -8.730305 9.073125 
1 1 1  -11   16   20 o   54.689   3.3146  3505.97  139.777  2375.39  617.071  3567.11  143.507   48.785   6.5161   60.593   1.2201 -11.80856 6.629296 
1 1 1  -11   16   21 o   26.727   5.4428  294.993   81.687  1433.83  794.558  282.828   82.123   36.423   10.598   17.031   2.4841 19.39235 10.88561 
1 1 1  -11   16   22 f   84.994   3.1885  7130.78  246.937  7154.31  1013.86  7129.30  254.604   84.375   6.1901   85.612   1.5320 -1.237144 6.376905 
1 1 1  -11   16   23 o   49.127   1.3428  2346.90  128.059   0.0000   0.0000  2346.90  128.059  ?   ?    49.127   1.3428      ?      ? 
1 1 1  -11   16   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   16   25 o   76.525   1.1428  5691.82  168.684  5817.18  254.423  5593.49  225.328   77.260   1.6964   75.789   1.5316 1.471672 2.285529 
1 1 1  -11   16   26 o   47.852   1.1598  2267.51  105.633  2038.69  161.299  2439.33  139.777   45.678   1.8191   50.027   1.4393 -4.349567 2.319684 
1 1 1  -11   16   27 o   57.560   1.1163  3241.02  124.145  3189.24  183.852  3284.41  168.310   57.118   1.6582   58.002   1.4949 -0.8847694 2.232524 
1 1 1  -11   16   28 o   71.676   1.1589  5021.41  160.343  5122.61  240.862  4940.87  214.876   72.292   1.7164   71.060   1.5578 1.232681 2.317869 
1 1 1  -11   16   29 o   40.286   1.2954  1593.18   99.241  1637.73  157.877  1564.07  127.604   40.689   1.9988   39.884   1.6482 0.8052368 2.590720 
1 1 1  -11   16   30 o   18.855   2.5732  413.439   88.868  235.971  137.013  542.319  116.760   14.555   4.4428   23.156   2.5976 -8.601150 5.146448 
1 1 1  -11   16   31 o   8.6312   2.6896 -40.4481   90.933   64.384  136.118 -124.9419  122.203   10.261   4.2290   7.0013   3.3243 3.259854 5.379136 
1 1 1  -11   16   32 o   13.095   3.1117  198.291   94.657  158.958  144.973  227.520  124.974   12.221   4.5570   13.969   4.2385 -1.748327 6.223461 
1 1 1  -11   16   33 o   15.306   2.9473  271.186   95.664  430.158  145.415  149.886  127.022   19.041   4.0582   11.570   4.2752 7.471093 5.894646 
1 1 1  -11   17    1 o  255.052   1.3680 62976.40  669.242 61995.19  877.846 64338.11  1034.15  252.693   1.7896  257.411   2.0696 -4.717133 2.736065 
1 1 1  -11   17    2 o  196.715   1.2250 37586.25  465.303 37733.30  627.246 37406.33  693.859  197.146   1.6390  196.284   1.8210 0.8619537 2.450016 
1 1 1  -11   17    3 o   50.694   0.6809  2493.02   66.961  2457.79   92.708  2531.45   96.820   50.319   0.9491   51.068   0.9767 -0.7482758 1.361876 
1 1 1  -11   17    4 o  139.791   1.0010 18955.26  270.686 18791.93  366.983 19150.15  400.874  139.132   1.3588  140.450   1.4704 -1.317551 2.002063 
1 1 1  -11   17    5 o  155.109   1.0740 23351.38  322.054 23291.67  435.922 23423.14  477.870  154.893   1.4498  155.326   1.5849 -0.4329834 2.147988 
1 1 1  -11   17    6 o  226.742   1.2998 49921.82  567.371 49931.13  755.510 49909.79  859.226  226.772   1.7163  226.711   1.9524 0.6057739E-01 2.599511 
1 1 1  -11   17    7 o  173.792   1.1432 29297.19  383.357 29072.40  513.696 29579.75  575.922  173.044   1.5293  174.541   1.6998 -1.497086 2.286489 
1 1 1  -11   17    8 o  240.977   1.5337 56405.96  711.243 56349.60  1078.84 56449.30  945.915  240.860   2.3074  241.094   2.0212 -0.2339783 3.067453 
1 1 1  -11   17    9 o  207.643   1.5884 41879.19  640.201 41648.54  899.350 42116.14  911.537  207.064   2.2375  208.222   2.2552 -1.157806 3.176813 
1 1 1  -11   17   10 o  172.674   1.4527 28973.06  486.776 29711.48  686.324 28225.60  690.507  174.891   2.0216  170.458   2.0868 4.433807 2.905465 
1 1 1  -11   17   11 o  111.166   1.0074 12000.56  206.045 11998.26  353.042 12001.75  253.743  111.149   1.6363  111.182   1.1757 -0.3298187E-01 2.014855 
1 1 1  -11   17   12 o   93.510   0.9211  8543.34  157.714  8329.72  271.144  8652.57  193.888   92.615   1.5082   94.406   1.0580 -1.790749 1.842284 
1 1 1  -11   17   13 o  109.394   1.0074 11665.79  203.644 11474.33  344.298 11768.82  252.559  108.693   1.6318  110.096   1.1818 -1.403549 2.014778 
1 1 1  -11   17   14 o   40.219   0.7263  1504.27   43.527  1675.35  105.428  1469.12   47.790   41.535   1.3076   38.903   0.6328 2.632168 1.452690 
1 1 1  -11   17   15 o  117.163   1.1794 13368.59  267.586 12737.04  385.864 13953.67  371.398  114.486   1.7363  119.840   1.5965 -5.354401 2.358701 
1 1 1  -11   17   16 o   88.717   1.0350  7656.25  177.512  7532.02  262.051  7761.58  241.308   88.047   1.5332   89.387   1.3907 -1.339928 2.069990 
1 1 1  -11   17   17 o   48.399   2.3787  1943.85   90.998  2692.33  471.312  1914.86   92.743   52.393   4.6342   44.405   1.0759 7.988289 4.757426 
1 1 1  -11   17   18 o   72.021   2.2336  4916.75  169.577  5241.73  607.222  4889.26  176.604   73.101   4.2791   70.941   1.2824 2.160484 4.467184 
1 1 1  -11   17   19 o   43.037   3.2868  1511.88   86.531  2182.79  588.219  1497.04   87.483   46.817   6.4725   39.257   1.1480 7.559483 6.573519 
1 1 1  -11   17   20 o   63.667   2.7819  4083.77  151.084  3855.73  657.237  4096.50  155.242   62.402   5.4258   64.933   1.2316 -2.531048 5.563805 
1 1 1  -11   17   21 o   94.764   2.9866  8952.85  283.499  8698.54  1045.23  8973.05  294.540   93.471   5.7606   96.058   1.5796 -2.586555 5.973258 
1 1 1  -11   17   22 o   88.651   1.5561  7645.15  267.779   0.0000   0.0000  7645.15  267.779  ?   ?    88.651   1.5561      ?      ? 
1 1 1  -11   17   23 o   73.148   1.4714  5205.83  208.935   0.0000   0.0000  5205.83  208.935  ?   ?    73.148   1.4714      ?      ? 
1 1 1  -11   17   24 o   9.5490   2.7026   47.133   74.536   9.0260  127.457   66.938   91.886   9.4969   4.0152   9.6011   3.6186 -0.1041393 5.405185 
1 1 1  -11   17   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   17   26 o   44.081   1.1923  1915.69  100.095  1793.96  154.673  2003.41  131.294   42.836   1.8601   45.326   1.4922 -2.490086 2.384680 
1 1 1  -11   17   27 f   25.860   1.8036  679.944   86.402  587.856  139.486  737.275  110.059   24.319   2.9547   27.400   2.0692 -3.080475 3.607220 
1 1 1  -11   17   28 o   42.436   1.2344  1768.64   99.802  1755.38  156.564  1777.72  129.530   42.258   1.9086   42.614   1.5658 -0.3559189 2.468719 
1 1 1  -11   17   29 f   49.148   1.1380  2355.26  106.617  2477.55  169.259  2274.82  137.275   50.144   1.7389   48.152   1.4686 1.992016 2.276067 
1 1 1  -11   17   30 o   13.278   2.7141  199.673   82.603   61.418  133.698  285.029  105.052   10.268   4.2067   16.289   3.4307 -6.021347 5.428261 
1 1 1  -11   17   31 o   8.3709   2.5495 -34.0880   86.127 -218.8710  138.306   82.957  110.075   6.6974   3.2667   10.044   3.9152 -3.347041 5.098990 
1 1 1  -11   17   32 o   14.860   3.0311  254.298   95.315  352.804  140.930  171.252  129.399   17.346   4.2246   12.373   4.3479 4.972775 6.062280 
1 1 1  -11   17   33 o   19.032   2.8654  428.280  102.702  506.164  150.839  360.971  140.226   20.838   3.8715   17.226   4.2255 3.612213 5.730889 
1 1 1  -11   18    1 o  142.289   1.0214 19658.50  281.408 19701.08  384.868 19609.58  412.511  142.456   1.3918  142.122   1.4952 0.3335876 2.042726 
1 1 1  -11   18    2 o  231.793   1.3064 52100.35  582.610 51671.98  772.569 52665.18  887.128  230.695   1.7252  232.890   1.9623 -2.195282 2.612841 
1 1 1  -11   18    3 o   52.407   0.5428  2667.97   55.169  2733.83   77.083  2598.80   78.994   53.071   0.7482   51.743   0.7865 1.327427 1.085529 
1 1 1  -11   18    4 o  116.850   0.8794 13245.10  199.008 13115.78  271.759 13394.66  292.237  116.236   1.2044  117.464   1.2816 -1.227928 1.758749 
1 1 1  -11   18    5 o   48.517   0.5156  2283.59   48.541  2241.43   67.533  2328.64   69.818   48.054   0.7240   48.980   0.7343 -0.9258728 1.031184 
1 1 1  -11   18    6 o  138.235   0.9934 18555.89  265.722 18603.73  361.911 18499.93  391.393  138.430   1.3468  138.041   1.4606 0.3895874 1.986794 
1 1 1  -11   18    7 o  126.787   0.9523 15584.71  233.482 15369.60  315.655 15844.58  346.946  125.824   1.2924  127.751   1.3990 -1.926910 1.904610 
1 1 1  -11   18    8 o   73.490   0.9356  5255.06  132.971  5397.71  181.863  5091.20  194.911   74.565   1.2565   72.415   1.3866 2.150002 1.871168 
1 1 1  -11   18    9 o  150.182   1.4842 21910.05  428.876 21901.18  651.066 21916.85  570.026  150.148   2.2338  150.217   1.9548 -0.6973267E-01 2.968362 
1 1 1  -11   18   10 o  247.610   1.5210 59448.70  708.861 60055.57  1156.19 59083.18  897.286  248.590   2.3960  246.630   1.8742 1.960175 3.041930 
1 1 1  -11   18   11 o   66.807   0.7435  4364.83   88.453  4252.87  160.141  4413.99  106.107   66.182   1.2465   67.432   0.8106 -1.249245 1.486902 
1 1 1  -11   18   12 o  102.339   1.6769 10400.92  229.606  9874.21  610.344 10487.75  247.810  100.747   3.1209  103.931   1.2283 -3.183731 3.353885 
1 1 1  -11   18   13 o   67.631   0.7650  4456.38   92.254  4401.37  167.239  4480.45  110.604   67.325   1.2797   67.936   0.8387 -0.6109161 1.530016 
1 1 1  -11   18   14 o   62.448   0.7420  3806.75   81.352  3739.09  151.235  3834.30   96.503   62.050   1.2556   62.846   0.7910 -0.7956543 1.483986 
1 1 1  -11   18   15 o  161.451   1.3803 25396.26  430.280 24759.50  638.019 25927.47  582.747  159.576   2.0597  163.326   1.8381 -3.750061 2.760582 
1 1 1  -11   18   16 o   41.328   0.8574  1668.89   66.010  1622.97  109.296  1695.25   82.822   40.874   1.3775   41.782   1.0211 -0.9084892 1.714711 
1 1 1  -11   18   17 o   47.052   0.7821  2156.24   71.050  2084.58  105.079  2216.58   96.436   46.328   1.1684   47.776   1.0398 -1.447666 1.564134 
1 1 1  -11   18   18 o  123.014   1.9901 14729.49  374.576 14803.38  854.222 14711.90  416.784  123.025   3.5770  123.004   1.7455 0.2113342E-01 3.980132 
1 1 1  -11   18   19 f   16.270   3.4587  314.900   67.480 -531.0381  479.469  331.995   68.159   14.067   6.6511   18.474   1.9007 -4.406932 6.917387 
1 1 1  -11   18   20 o   81.732   3.5551  7584.15  253.833  5545.31  1002.30  7723.87  262.387   74.330   6.9466   89.135   1.5165 -14.80517 7.110200 
1 1 1  -11   18   21 o   98.910   1.6020  9515.19  307.583   0.0000   0.0000  9515.19  307.583  ?   ?    98.910   1.6020      ?      ? 
1 1 1  -11   18   22 o   52.472   1.2798  2676.38  130.355   0.0000   0.0000  2676.38  130.355  ?   ?    52.472   1.2798      ?      ? 
1 1 1  -11   18   23 o   72.322   1.4443  5088.59  202.762   0.0000   0.0000  5088.59  202.762  ?   ?    72.322   1.4443      ?      ? 
1 1 1  -11   18   24 o   42.457   1.1430  1745.00   90.934  1794.35  150.568  1716.66  114.091   42.910   1.8076   42.005   1.3992 0.9051552 2.285917 
1 1 1  -11   18   25 o   63.164   1.1023  3888.28  133.759  3882.17  204.298  3892.86  176.960   63.102   1.6678   63.225   1.4419 -0.1226120 2.204689 
1 1 1  -11   18   26 f   76.439   1.1676  5694.07  172.317  5807.24  258.523  5603.60  231.154   77.100   1.7274   75.778   1.5714 1.321442 2.335188 
1 1 1  -11   18   27 o   65.437   1.1081  4191.50  139.627  4137.92  210.525  4233.58  186.564   65.032   1.6677   65.841   1.4597 -0.8090820 2.216277 
1 1 1  -11   18   28 o   38.552   1.3058  1479.06   93.288  1396.13  154.804  1526.35  116.898   37.616   2.1200   39.487   1.5251 -1.870922 2.611587 
1 1 1  -11   18   29 o   21.989   2.0835  494.114   86.000  476.020  138.915  505.358  109.508   21.529   3.3239   22.448   2.5130 -0.9191971 4.166988 
1 1 1  -11   18   30 o   31.061   1.5520  956.104   92.905  1036.42  142.002  895.994  122.846   32.157   2.2749   29.965   2.1120 2.192362 3.104079 
1 1 1  -11   18   31 o   10.778   2.9856   89.851   90.288  149.062  142.301   49.952  116.811   12.110   4.5150   9.4459   3.9076 2.663980 5.971166 
1 1 1  -11   18   32 o   11.269   2.9144   83.480   89.506  257.942  146.602 -20.2013  113.016   14.598   4.6181   7.9406   3.5564 6.657792 5.828805 
1 1 1  -11   18   33 o   23.584   2.1996  582.391   98.751  765.977  156.169  460.079  127.470   26.645   3.0194   20.524   3.1995 6.121017 4.399269 
1 1 1  -11   19    1 o  124.886   0.9151 15139.60  221.826 15234.27  316.379 15048.05  311.107  125.270   1.3011  124.502   1.2873 0.7677078 1.830245 
1 1 1  -11   19    2 o   57.839   0.7376  3245.53   74.606  3243.13   88.092  3251.60  140.304   57.803   0.7851   57.875   1.2489 -0.7199860E-01 1.475142 
1 1 1  -11   19    3 o  122.691   0.9168 14621.55  217.780 14731.14  298.072 14496.05  318.964  123.185   1.2465  122.196   1.3447 0.9888840 1.833568 
1 1 1  -11   19    4 o   58.308   0.5647  3298.41   63.821  3269.05   87.745  3331.39   92.998   58.033   0.7789   58.584   0.8178 -0.5504570 1.129351 
1 1 1  -11   19    5 o  151.762   1.0449 22375.67  306.775 22547.56  417.774 22174.54  451.925  152.396   1.4122  151.127   1.5405 1.269669 2.089852 
1 1 1  -11   19    6 o  199.844   1.2432 38753.12  478.244 38576.51  635.809 38983.23  725.761  199.325   1.6432  200.363   1.8660 -1.037125 2.486398 
1 1 1  -11   19    7 o  138.318   1.0048 18502.24  268.344 17914.32  358.900 19247.57  404.099  135.838   1.3611  140.799   1.4785 -4.960587 2.009615 
1 1 1  -11   19    8 o   87.127   0.9454  7419.96  152.429  7203.04  256.024  7539.07  189.719   86.129   1.5313   88.124   1.1090 -1.994690 1.890739 
1 1 1  -11   19    9 o   96.284   1.1557  9001.55  215.987  9115.53  307.894  8891.13  303.066   96.884   1.6371   95.684   1.6317 1.199745 2.311393 
1 1 1  -11   19   10 o  116.387   1.1772 13174.90  254.872 13090.61  425.814 13221.95  318.158  116.086   1.8896  116.689   1.4046 -0.6027985 2.354470 
1 1 1  -11   19   11 o  141.601   1.3055 19411.33  336.526 19665.57  590.845 19289.25  409.427  142.265   2.1395  140.937   1.4965 1.328583 2.610943 
1 1 1  -11   19   12 o  136.732   1.1993 18130.37  303.153 18251.29  515.095 18066.29  374.970  137.066   1.9360  136.398   1.4162 0.6670685 2.398647 
1 1 1  -11   19   13 o   74.070   0.8093  5373.08  107.687  5205.21  191.674  5450.51  130.174   73.212   1.3487   74.929   0.8950 -1.716942 1.618639 
1 1 1  -11   19   14 o   31.960   0.7542  974.907   42.622  1032.64   79.742  951.816   50.431   32.608   1.2598   31.311   0.8297 1.296688 1.508476 
1 1 1  -11   19   15 o   78.583   0.9562  6002.61  145.183  5954.35  215.569  6042.67  196.406   78.291   1.4184   78.876   1.2828 -0.5846481 1.912442 
1 1 1  -11   19   16 o  116.083   1.2050 13109.40  270.708 12933.68  397.097 13261.97  370.013  115.349   1.7735  116.817   1.6317 -1.468407 2.409905 
1 1 1  -11   19   17 o  116.450   1.1986 13203.30  270.283 12821.89  392.926 13545.86  372.376  114.844   1.7625  118.056   1.6249 -3.211998 2.397260 
1 1 1  -11   19   18 o  101.722   2.2279 10483.87  302.425  9583.25  797.213 10635.27  326.857   98.848   4.1547  104.596   1.6098 -5.748039 4.455703 
1 1 1  -11   19   19 o   67.480   2.7614  4951.85  171.745  3928.50  657.495  5026.79  177.922   63.031   5.3737   71.928   1.2743 -8.896950 5.522713 
1 1 1  -11   19   20 o   33.683   1.2650  1102.48   82.709   0.0000   0.0000  1102.48   82.709  ?   ?    33.683   1.2650      ?      ? 
1 1 1  -11   19   21 o   81.722   1.4467  6493.76  229.501   0.0000   0.0000  6493.76  229.501  ?   ?    81.722   1.4467      ?      ? 
1 1 1  -11   19   22 o   66.879   1.3650  4348.79  177.210   0.0000   0.0000  4348.79  177.210  ?   ?    66.879   1.3650      ?      ? 
1 1 1  -11   19   23 o   38.872   1.3945  1469.76  105.224   0.0000   0.0000  1469.76  105.224  ?   ?    38.872   1.3945      ?      ? 
1 1 1  -11   19   24 o  103.165   1.3623 10386.70  272.605 10127.82  390.043 10633.91  381.155  101.896   1.9719  104.434   1.8802 -2.538521 2.724613 
1 1 1  -11   19   25 o   29.694   1.5157  869.475   83.950  837.534  138.139  888.180  105.711   29.224   2.4351   30.164   1.8053 -0.9406567 3.031318 
1 1 1  -11   19   26 o   13.515   2.7869  171.767   76.106  255.510  128.110  126.093   94.611   15.639   4.1509   11.391   3.7200 4.248062 5.573898 
1 1 1  -11   19   27 o   42.481   1.2236  1758.42   98.147  1806.43  159.340  1729.07  124.587   42.903   1.9133   42.058   1.5260 0.8443298 2.447290 
1 1 1  -11   19   28 o   17.621   2.5020  350.203   80.534  222.648  130.079  429.484  102.552   14.470   4.3094   20.772   2.5433 -6.301832 5.003928 
1 1 1  -11   19   29 o   35.882   1.3465  1271.84   92.297  1291.88  144.338  1257.98  120.049   36.060   2.0620   35.705   1.7321 0.3546791 2.692969 
1 1 1  -11   19   30 o   17.408   2.4850  293.301   82.102  521.344  136.503  164.041  102.770   22.470   3.1295   12.347   3.8611 10.12273 4.970094 
1 1 1  -11   19   31 o   14.615   2.9890  217.869   93.457  388.683  151.938  113.908  118.534   18.313   4.3403   10.917   4.1108 7.396229 5.978048 
1 1 1  -11   19   32 o   31.647   1.7243  1018.30  104.945  1231.97  157.545  847.863  140.707   34.665   2.3413   28.629   2.5319 6.036268 3.448502 
1 1 1  -11   20    1 o  159.090   1.0240 24556.04  316.098 24039.57  439.280 25110.64  455.205  157.357   1.4381  160.824   1.4581 -3.466660 2.047985 
1 1 1  -11   20    2 o  104.472   0.8465 10592.45  171.619 10922.37  244.755 10273.35  240.707  106.072   1.1887  102.872   1.2054 3.200005 1.692905 
1 1 1  -11   20    3 o  154.792   1.0584 23275.32  316.859 23409.39  430.619 23117.02  467.913  155.281   1.4286  154.304   1.5621 0.9768524 2.116885 
1 1 1  -11   20    4 o  107.616   0.8428 11242.05  175.803 11227.86  242.182 11257.86  255.608  107.545   1.1601  107.688   1.2228 -0.1424713 1.685504 
1 1 1  -11   20    5 o   54.084   0.7047  2866.89   67.469  2907.46   80.638  2772.21  123.188   54.729   0.7590   53.438   1.1875 1.291233 1.409393 
1 1 1  -11   20    6 o   68.950   0.6199  4608.96   82.746  4537.59  112.599  4692.75  122.008   68.371   0.8484   69.530   0.9040 -1.158638 1.239735 
1 1 1  -11   20    7 o  259.892   1.7794 65614.83  897.436 65080.52  1252.20 66179.12  1286.84  258.807   2.4925  260.977   2.5401 -2.169891 3.558761 
1 1 1  -11   20    8 o   72.200   0.8415  5056.90  110.710  5072.52  193.574  5049.31  134.962   72.279   1.3797   72.120   0.9640 0.1585770 1.683090 
1 1 1  -11   20    9 o   43.967   0.7484  1889.01   59.720  1842.03  104.475  1911.82   72.784   43.557   1.2356   44.378   0.8449 -0.8215446 1.496877 
1 1 1  -11   20   10 o   46.625   0.6855  2125.66   50.421  2084.34  109.832  2136.70   56.755   46.333   1.2212   46.917   0.6232 -0.5844688 1.370980 
1 1 1  -11   20   11 o   47.486   0.7421  2262.75   53.705  2071.27  120.336  2310.37   60.014   46.186   1.3422   48.787   0.6337 -2.601017 1.484288 
1 1 1  -11   20   12 f   75.827   0.8409  5568.83  112.496  5616.35  208.788  5549.39  133.538   76.049   1.4143   75.606   0.9099 0.4426804 1.681722 
1 1 1  -11   20   13 o  101.233   0.9839 10026.26  182.604  9729.33  312.728 10179.87  224.932  100.076   1.6098  102.390   1.1317 -2.313889 1.967783 
1 1 1  -11   20   14 o   74.455   0.8177  5379.44  108.295  5393.65  197.914  5373.38  129.383   74.517   1.3682   74.393   0.8959 0.1238480 1.635458 
1 1 1  -11   20   15 o  138.812   1.3128 18781.80  351.723 18213.00  521.758 19255.58  476.184  136.868   1.9638  140.756   1.7428 -3.888504 2.625618 
1 1 1  -11   20   16 o   35.269   0.8974  1232.99   56.889  1141.59   99.912  1276.84   69.202   34.277   1.5016   36.262   0.9831 -1.985100 1.794807 
1 1 1  -11   20   17 o   80.216   0.9905  6268.79  153.510  6064.12  226.261  6443.36  208.960   78.995   1.4755   81.437   1.3218 -2.442589 1.981014 
1 1 1  -11   20   18 o   46.940   3.2745  2316.16  101.223  2010.65  563.442  2326.35  102.897   44.940   6.4588   48.940   1.0831 -3.999943 6.548979 
1 1 1  -11   20   19 o  113.523   2.7046 12581.67  354.791 12692.52  1130.43 12569.56  373.672  113.355   5.1373  113.691   1.6932 -0.3355484 5.409133 
1 1 1  -11   20   20 f   87.204   1.4651  7392.85  248.015   0.0000   0.0000  7392.85  248.015  ?   ?    87.204   1.4651      ?      ? 
1 1 1  -11   20   21 o   87.664   1.6033  7476.46  272.832   0.0000   0.0000  7476.46  272.832  ?   ?    87.664   1.6033      ?      ? 
1 1 1  -11   20   22 o   88.719   1.6370  7660.18  281.927   0.0000   0.0000  7660.18  281.927  ?   ?    88.719   1.6370      ?      ? 
1 1 1  -11   20   23 o   63.782   1.3705  3956.78  169.681   0.0000   0.0000  3956.78  169.681  ?   ?    63.782   1.3705      ?      ? 
1 1 1  -11   20   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   20   25 o   56.894   1.0838  3183.81  118.262  2942.06  177.484  3376.86  158.600   54.912   1.6651   58.877   1.3877 -3.965092 2.167509 
1 1 1  -11   20   26 f   16.651   2.4801  272.901   74.094  333.911  129.928  243.497   90.199   17.909   3.8518   15.394   3.1252 2.514565 4.960173 
1 1 1  -11   20   27 f   41.846   1.2089  1726.29   95.947  1661.36  151.289  1769.98  124.095   41.140   1.8944   42.552   1.5023 -1.412319 2.417832 
1 1 1  -11   20   28 o   20.348   2.2515  442.909   80.325  369.446  134.595  483.546  100.106   18.632   3.8488   22.064   2.3373 -3.431913 4.502907 
1 1 1  -11   20   29 o   8.3561   2.6021 -55.3821   79.331   69.460  138.854 -115.8798   96.660   10.584   4.3060   6.1280   2.9228 4.456180 5.204296 
1 1 1  -11   20   30 f   10.013   2.8677   49.025   87.032  124.556  137.188  -1.8481  112.590   11.622   4.4116   8.4028   3.6650 3.219543 5.735365 
1 1 1  -11   20   31 o   22.823   2.3359  572.215   96.931  482.992  149.966  636.235  127.033   20.780   3.8599   24.866   2.6318 -4.085588 4.671706 
1 1 1  -11   20   32 o   15.496   3.0719  288.182   94.388  298.622  153.328  281.812  119.772   15.489   4.6937   15.504   3.9642 -0.1552868E-01 6.143738 
1 1 1  -11   21    1 o   83.273   0.7047  6726.76  113.865  6569.64  158.301  6895.21  163.904   82.266   0.9913   84.280   1.0018 -2.013641 1.409372 
1 1 1  -11   21    2 o  147.989   1.0324 21252.54  295.207 21153.74  398.306 21372.96  439.733  147.610   1.3901  148.369   1.5268 -0.7586517 2.064801 
1 1 1  -11   21    3 o   74.527   0.6573  5389.29   95.011  5337.19  131.500  5446.20  137.428   74.150   0.9136   74.903   0.9452 -0.7531357 1.314529 
1 1 1  -11   21    4 o   86.216   0.7227  7211.82  120.847  7126.89  167.039  7305.10  175.050   85.684   1.0043   86.748   1.0395 -1.064140 1.445403 
1 1 1  -11   21    5 o  254.183   1.3862 62841.22  676.900 63417.52  897.401 62080.54  1031.01  255.549   1.8090  252.818   2.1008 2.731125 2.772379 
1 1 1  -11   21    6 o  144.635   1.0314 20305.21  288.556 20237.69  391.751 20385.29  426.636  144.374   1.3978  144.895   1.5168 -0.5211334 2.062702 
1 1 1  -11   21    7 o   47.235   0.5748  2166.83   52.230  2158.36   79.313  2173.31   69.404   47.153   0.8665   47.317   0.7556 -0.1638298 1.149683 
1 1 1  -11   21    8 o   60.458   0.9094  3548.48  106.700  3447.40  149.986  3652.05  151.824   59.586   1.2967   61.330   1.2753 -1.743477 1.818722 
1 1 1  -11   21    9 o   74.823   3.6858  5409.28  197.502  5404.75  201.059  5533.81  1054.57   74.605   1.3883   75.040   7.2396 -0.4349747 7.371507 
1 1 1  -11   21   10 o   72.736   3.4689  4968.77  184.466  4953.61  187.837  5379.82  978.028   71.425   1.3548   74.047   6.8042 -2.622032 6.937799 
1 1 1  -11   21   11 o  183.495   1.6666 32751.80  584.950 32570.00  906.966 32881.28  765.417  183.037   2.5526  183.953   2.1435 -0.9166565 3.333249 
1 1 1  -11   21   12 o  103.454   1.0640 10337.18  203.003 10579.29  348.085 10212.39  249.903  104.356   1.7183  102.551   1.2553 1.804161 2.128034 
1 1 1  -11   21   13 o   47.162   0.7523  2177.18   65.832  2099.76  109.743  2220.70   82.281   46.499   1.2158   47.826   0.8863 -1.326572 1.504560 
1 1 1  -11   21   14 o   24.971   1.0377  671.522   29.428  527.988   89.845  688.772   31.146   23.304   1.9861   26.637   0.6024 -3.333069 2.075421 
1 1 1  -11   21   15 o   57.836   0.7636  3229.05   73.133  3285.50  150.182  3211.51   83.731   58.157   1.3303   57.515   0.7500 0.6422958 1.527142 
1 1 1  -11   21   16 o   52.227   0.8390  2659.09   81.740  2613.56  135.323  2685.25  102.565   51.869   1.3440   52.586   1.0048 -0.7169609 1.678070 
1 1 1  -11   21   17 o  166.681   1.5453 27043.05  500.005 27103.23  707.255 26982.91  706.972  166.867   2.1834  166.495   2.1874 0.3716431 3.090672 
1 1 1  -11   21   18 o   88.389   2.3061  8144.20  247.581  6990.67  715.855  8300.92  263.865   84.361   4.3714   92.417   1.4708 -8.055176 4.612174 
1 1 1  -11   21   19 o   85.780   1.4329  7152.06  238.591   0.0000   0.0000  7152.06  238.591  ?   ?    85.780   1.4329      ?      ? 
1 1 1  -11   21   20 o   45.297   1.1601  1993.59  102.006   0.0000   0.0000  1993.59  102.006  ?   ?    45.297   1.1601      ?      ? 
1 1 1  -11   21   21 o   26.232   1.4710  669.246   74.904   0.0000   0.0000  669.246   74.904  ?   ?    26.232   1.4710      ?      ? 
1 1 1  -11   21   22 o   81.883   1.5493  6524.85  246.257   0.0000   0.0000  6524.85  246.257  ?   ?    81.883   1.5493      ?      ? 
1 1 1  -11   21   23 o   33.634   1.4447  1100.65   94.324   0.0000   0.0000  1100.65   94.324  ?   ?    33.634   1.4447      ?      ? 
1 1 1  -11   21   24 o   38.763   1.4288  1462.64  107.513   0.0000   0.0000  1462.64  107.513  ?   ?    38.763   1.4288      ?      ? 
1 1 1  -11   21   25 o   46.733   1.1284  2136.91   99.313  2105.03  160.684  2156.62  126.332   46.421   1.7832   47.046   1.3833 -0.6256561 2.256847 
1 1 1  -11   21   26 f   22.356   1.8164  465.895   75.131  585.557  132.609  409.326   91.176   24.315   2.8095   20.396   2.3028 3.918428 3.632704 
1 1 1  -11   21   27 o   10.562   2.8069   89.893   76.136   73.189  129.138   98.792   94.260   10.666   4.2155   10.458   3.7072 0.2083073 5.613710 
1 1 1  -11   21   28 o   8.6894   2.6408 -11.6478   76.584   60.907  133.340 -47.3641   93.554   10.394   4.2231   6.9850   3.1720 3.408661 5.281662 
1 1 1  -11   21   29 o   19.745   2.3361  425.101   82.490  349.276  133.028  472.471  105.146   17.841   3.9457   21.649   2.5020 -3.808016 4.672116 
1 1 1  -11   21   30 o   11.100   2.9840   96.890   88.798  175.506  141.945   46.342  113.820   12.847   4.5498   9.3524   3.8621 3.494925 5.967927 
1 1 1  -11   21   31 o   22.467   2.2470  536.355   94.730  524.413  153.205  543.746  120.533   22.008   3.5861   22.926   2.7084 -0.9176178 4.493923 
1 1 1  -11   21   32 o   18.447   2.9794  402.481  103.490  439.139  158.875  375.462  136.397   19.043   4.3881   17.851   4.0315 1.191975 5.958861 
1 1 1  -11   22    1 o  145.726   1.1011 20640.90  307.319 20488.50  474.123 20751.33  403.579  145.257   1.6815  146.195   1.4221 -0.9384613 2.202209 
1 1 1  -11   22    2 f   83.783   0.8067  6810.34  126.804  6798.13  159.893  6831.05  208.168   83.684   0.9843   83.882   1.2784 -0.1978531 1.613451 
1 1 1  -11   22    3 o  172.676   1.1833 28958.80  396.535 29219.96  555.947 28688.35  565.753  173.470   1.6510  171.883   1.6956 1.587387 2.366623 
1 1 1  -11   22    4 o   86.293   0.7337  7225.44  122.727  7168.98  168.807  7288.74  178.743   85.936   1.0119   86.650   1.0627 -0.7139893 1.467405 
1 1 1  -11   22    5 o   60.041   0.5673  3493.63   66.017  3400.58   90.496  3599.50   96.521   59.188   0.7876   60.894   0.8165 -1.706264 1.134513 
1 1 1  -11   22    6 o  134.955   1.0946 17682.99  286.662 17580.01  399.832 17791.92  411.210  134.551   1.5308  135.359   1.5650 -0.8071136 2.189202 
1 1 1  -11   22    7 o  193.870   1.6882 36482.54  625.241 36775.20  976.938 36279.50  813.720  194.507   2.5874  193.234   2.1693 1.272339 3.376498 
1 1 1  -11   22    8 o  116.939   1.3252 13284.98  300.769 13392.53  422.989 13175.01  427.753  117.418   1.8558  116.459   1.8921 0.9593277 2.650313 
1 1 1  -11   22    9 o  104.301   3.2154 11036.84  352.725 11121.54  368.487 10109.87  1219.07  107.005   1.7740  101.598   6.1812 5.406181 6.430780 
1 1 1  -11   22   10 f  183.275   2.6547 32521.05  790.612 32363.75  898.040 33063.05  1666.99  182.464   2.5354  184.085   4.6650 -1.621979 5.309451 
1 1 1  -11   22   11 o   84.919   3.0786  7420.94  254.364  7484.51  264.021  6599.30  949.167   87.785   1.5494   82.053   5.9591 5.731735 6.157255 
1 1 1  -11   22   12 f  105.255   1.1034 10717.51  215.843 10914.29  363.527 10610.36  268.245  105.985   1.7670  104.524   1.3221 1.461304 2.206799 
1 1 1  -11   22   13 o   82.491   0.8955  6587.30  133.706  6668.96  237.318  6549.32  161.836   82.855   1.4755   82.128   1.0151 0.7273636 1.790996 
1 1 1  -11   22   14 o   30.784   0.7908  970.328   32.106  853.282   85.106  989.750   34.668   29.636   1.4794   31.931   0.5593 -2.295128 1.581561 
1 1 1  -11   22   15 o   66.162   0.7815  4276.87   90.525  4191.67  168.964  4311.17  107.210   65.688   1.3251   66.636   0.8288 -0.9472275 1.562938 
1 1 1  -11   22   16 o   35.313   3.9515  1309.77  241.804  1086.51  415.455  1424.14  297.359   32.484   6.8065   38.142   4.0162 -5.658405 7.903003 
1 1 1  -11   22   17 o   91.468   1.0898  8128.11  192.665  8173.46  286.498  8090.67  260.318   91.694   1.6096   91.241   1.4698 0.4536057 2.179677 
1 1 1  -11   22   18 o   48.718   1.0332  2305.27   97.711   0.0000   0.0000  2305.27   97.711  ?   ?    48.718   1.0332      ?      ? 
1 1 1  -11   22   19 o   74.906   1.3945  5453.53  202.774   0.0000   0.0000  5453.53  202.774  ?   ?    74.906   1.3945      ?      ? 
1 1 1  -11   22   20 o   72.880   1.3875  5163.50  196.298   0.0000   0.0000  5163.50  196.298  ?   ?    72.880   1.3875      ?      ? 
1 1 1  -11   22   21 o   33.743   1.2701  1106.76   83.193   0.0000   0.0000  1106.76   83.193  ?   ?    33.743   1.2701      ?      ? 
1 1 1  -11   22   22 o  113.319   2.0132 12520.80  442.852   0.0000   0.0000 12520.80  442.852  ?   ?   113.319   2.0132      ?      ? 
1 1 1  -11   22   23 o   45.783   1.2871  2038.61  114.390   0.0000   0.0000  2038.61  114.390  ?   ?    45.783   1.2871      ?      ? 
1 1 1  -11   22   24 f   60.441   1.3569  3555.91  159.199   0.0000   0.0000  3555.91  159.199  ?   ?    60.441   1.3569      ?      ? 
1 1 1  -11   22   25 o   42.360   1.1585  1729.22   93.157  1855.87  150.391  1650.36  118.664   43.581   1.7777   41.139   1.4859 2.442181 2.316952 
1 1 1  -11   22   26 o   21.123   1.9377  399.970   75.340  594.403  135.231  312.461   90.724   24.473   2.8466   17.773   2.6297 6.700651 3.875338 
1 1 1  -11   22   27 o   22.143   2.2040  561.653   79.767  341.319  134.217  681.975   99.184   17.952   3.9580   26.335   1.9402 -8.383362 4.407998 
1 1 1  -11   22   28 o   24.760   1.7794  619.027   80.047  597.622  138.798  629.693   97.982   24.298   2.9427   25.222   2.0013 -0.9238377 3.558708 
1 1 1  -11   22   29 o   14.841   2.8195  252.330   83.466  187.441  138.501  289.335  104.593   13.251   4.5050   16.431   3.3917 -3.180097 5.639028 
1 1 1  -11   22   30 f   10.483   2.9261   87.509   85.052   90.883  143.490   85.681  105.603   10.936   4.4028   10.030   3.8553 0.9062538 5.852170 
1 1 1  -11   22   31 o   31.283   1.6840  1001.86  101.209  985.317  153.574  1014.57  134.566   30.935   2.5575   31.632   2.1915 -0.6977444 3.367962 
1 1 1  -11   22   32 o   13.562   2.9743  174.325   92.485  396.514  157.349   57.046  114.317   17.853   4.5322   9.2714   3.8530 8.581960 5.948658 
1 1 1  -11   23    1 o  144.560   0.9969 20289.98  279.751 20444.34  396.933 20137.64  394.335  145.106   1.4092  144.014   1.4106 1.092606 1.993867 
1 1 1  -11   23    2 f  103.353   0.9245 10439.80  181.038 10044.83  286.487 10702.38  233.589  101.711   1.4510  104.995   1.1461 -3.284218 1.849046 
1 1 1  -11   23    3 o   69.973   0.6302  4755.33   85.526  4816.04  118.872  4690.19  123.147   70.436   0.8694   69.509   0.9127 0.9268875 1.260485 
1 1 1  -11   23    4 o  138.704   0.9910 18654.72  265.762 18401.75  359.069 18961.18  395.214  137.668   1.3436  139.740   1.4569 -2.072495 1.981929 
1 1 1  -11   23    5 o  185.154   1.2630 33289.92  453.855 32967.95  634.869 33626.44  649.063  184.239   1.7752  186.068   1.7970 -1.829330 2.525950 
1 1 1  -11   23    6 o  140.940   1.1546 19287.25  315.824 19079.82  441.620 19504.39  451.842  140.165   1.6231  141.715   1.6425 -1.549927 2.309168 
1 1 1  -11   23    7 o   29.463   1.1576  839.880   66.079  906.672   96.880  781.775   90.360   30.554   1.6334   28.372   1.6407 2.182489 2.315147 
1 1 1  -11   23    8 o  166.102   1.7382 26837.29  559.913 27385.53  779.950 26254.31  804.283  167.859   2.3936  164.344   2.5211 3.515762 3.476405 
1 1 1  -11   23    9 o  150.132   2.8098 21682.65  600.904 21553.83  654.942 22368.04  1510.74  148.929   2.2655  151.335   5.1426 -2.405289 5.619528 
1 1 1  -11   23   10 o   43.720   5.1191  2095.04  120.904  2103.49  122.302  1731.57  801.848   46.542   1.3537   40.898   10.148 5.643856 10.23814 
1 1 1  -11   23   11 o   56.341   3.9024  3150.58  135.324  3152.81  137.145  3068.18  833.173   56.980   1.2399   55.701   7.7056 1.279686 7.804769 
1 1 1  -11   23   12 o   65.047   3.7129  4215.78  174.554  4221.03  177.867  4078.83  908.669   65.922   1.3900   64.172   7.2945 1.750237 7.425767 
1 1 1  -11   23   13 o   71.794   0.8359  5047.52  107.247  4897.98  192.763  5114.57  129.068   71.009   1.3985   72.579   0.9161 -1.570259 1.671800 
1 1 1  -11   23   14 o   39.678   0.6957  1552.02   41.156  1492.51   96.092  1565.39   45.544   39.199   1.2628   40.157   0.5843 -0.9574089 1.391439 
1 1 1  -11   23   15 o   76.423   0.8364  5692.54  114.652  5620.42  205.641  5725.07  138.110   76.061   1.3928   76.786   0.9266 -0.7251434 1.672840 
1 1 1  -11   23   16 o  121.715   1.2577 14414.20  295.895 14308.38  438.267 14502.84  401.115  121.294   1.8614  122.136   1.6918 -0.8429489 2.515365 
1 1 1  -11   23   17 o   20.956   6.3984  439.490  284.150   0.0000   0.0000  439.490  284.150  ?   ?    20.956   6.3984      ?      ? 
1 1 1  -11   23   18 o   54.736   0.8414  2882.54   88.388  3091.33  137.506  2735.53  115.382   56.406   1.2558   53.066   1.1201 3.339458 1.682772 
1 1 1  -11   23   19 o   50.843   1.1434  2511.42  112.847   0.0000   0.0000  2511.42  112.847  ?   ?    50.843   1.1434      ?      ? 
1 1 1  -11   23   20 o   73.861   1.4108  5304.45  202.275   0.0000   0.0000  5304.45  202.275  ?   ?    73.861   1.4108      ?      ? 
1 1 1  -11   23   21 o   42.225   1.2679  1733.15  103.922   0.0000   0.0000  1733.15  103.922  ?   ?    42.225   1.2679      ?      ? 
1 1 1  -11   23   22 o   25.276   1.6230  621.917   79.634   0.0000   0.0000  621.917   79.634  ?   ?    25.276   1.6230      ?      ? 
1 1 1  -11   23   23 o   31.223   1.4732  948.865   89.291   0.0000   0.0000  948.865   89.291  ?   ?    31.223   1.4732      ?      ? 
1 1 1  -11   23   24 o   29.566   1.6744  852.565   96.098   0.0000   0.0000  852.565   96.098  ?   ?    29.566   1.6744      ?      ? 
1 1 1  -11   23   25 o   39.929   1.2083  1551.23   89.817  1580.07  150.632  1535.33  111.882   40.179   1.9313   39.678   1.4526 0.5011139 2.416585 
1 1 1  -11   23   26 o   20.789   2.0850  452.253   74.879  391.227  130.292  482.349   91.498   19.434   3.5859   22.145   2.1285 -2.710882 4.170045 
1 1 1  -11   23   27 o   26.347   1.6413  642.504   80.373  849.963  140.798  542.223   97.890   29.259   2.4790   23.434   2.1519 5.824705 3.282675 
1 1 1  -11   23   28 o   31.617   1.4692  985.581   86.663  1016.50  144.873  968.351  108.147   31.907   2.3390   31.327   1.7784 0.5797138 2.938326 
1 1 1  -11   23   29 o   24.170   1.8984  601.540   84.482  561.697  141.098  623.806  105.479   23.357   3.1120   24.983   2.1750 -1.626514 3.796722 
1 1 1  -11   23   30 o   15.488   2.9292  257.419   90.066  376.895  144.803  182.033  115.023   18.180   4.1892   12.795   4.0952 5.385048 5.858336 
1 1 1  -11   23   31 f   13.807   3.0794  206.510   90.449  306.787  151.547  151.024  112.729   15.892   4.6299   11.722   4.0615 4.169622 6.158878 
1 1 1  -11   23   32 o   12.203   3.1537  173.405  101.542   98.745  155.404  229.027  134.136   10.802   4.4910   13.604   4.4288 -2.801609 6.307421 
1 1 1  -11   24    1 o   54.215   0.5668  2853.77   59.643  2887.67   83.825  2819.02   84.881   54.541   0.7917   53.889   0.8114 0.6523705 1.133687 
1 1 1  -11   24    2 o   80.811   0.6837  6338.56  107.226  6539.86  152.685  6142.68  150.618   82.077   0.9583   79.546   0.9754 2.531670 1.367418 
1 1 1  -11   24    3 o  227.314   1.3132 50207.09  576.439 50022.45  859.247 50358.20  777.313  226.924   1.9506  227.703   1.7586 -0.7782898 2.626309 
1 1 1  -11   24    4 o  174.487   1.1590 29565.41  390.597 29539.82  526.623 29596.70  582.346  174.408   1.5555  174.565   1.7185 -0.1571960 2.317956 
1 1 1  -11   24    5 o  127.402   0.9601 15742.09  236.842 15511.84  322.488 16011.70  348.967  126.394   1.3144  128.411   1.4000 -2.016808 1.920291 
1 1 1  -11   24    6 f   73.304   0.8612  5216.61  113.798  5215.34  137.443  5219.37  202.929   73.295   0.9660   73.314   1.4259 -0.1861572E-01 1.722325 
1 1 1  -11   24    7 o  115.637   1.3586 12979.50  304.785 12705.17  422.175 13278.12  440.470  114.363   1.9017  116.911   1.9409 -2.548119 2.717246 
1 1 1  -11   24    8 o   40.674   0.9799  1607.63   76.680  1615.46  102.005  1597.45  116.275   40.789   1.2883   40.559   1.4769 0.2306099 1.959787 
1 1 1  -11   24    9 o   91.956   2.9550  8013.44  269.397  7976.56  279.094  8516.63  1030.95   90.626   1.5865   93.287   5.6931 -2.661804 5.910056 
1 1 1  -11   24   10 o  199.083   2.7393 39087.52  928.611 39587.22  1083.29 37702.91  1803.25  201.727   2.7664  196.438   4.7290 5.289337 5.478688 
1 1 1  -11   24   11 o   22.208   5.3963  208.516   76.835  201.363   77.256  859.570  737.044   14.124   2.9145   30.292   10.392 -16.16764 10.79255 
1 1 1  -11   24   12 o   52.223   3.9090  2165.45  117.635  2144.12  118.751  3283.51  859.876   46.985   1.3020   57.462   7.7088 -10.47786 7.817986 
1 1 1  -11   24   13 o   49.352   0.8425  2388.35   77.544  2280.77  127.427  2451.61   97.720   48.456   1.3547   50.247   1.0019 -1.791218 1.684927 
1 1 1  -11   24   14 o   80.068   1.0328  6239.58  160.254  5941.09  229.553  6523.37  223.822   78.194   1.5123   81.942   1.4071 -3.748444 2.065697 
1 1 1  -11   24   15 o   44.996   0.8226  1988.69   64.045  1917.36  121.340  2016.23   75.405   44.424   1.4071   45.569   0.8524 -1.145622 1.645166 
1 1 1  -11   24   16 o  111.005   3.2353 12430.66  538.622 11603.79  1234.25 12625.18  598.632  108.212   5.8758  113.798   2.7099 -5.585960 6.470569 
1 1 1  -11   24   17 o   99.980   1.2130  9718.87  232.863  9728.76  356.573  9711.51  307.487  100.011   1.8367   99.949   1.5848 0.6138611E-01 2.425932 
1 1 1  -11   24   18 o   58.258   0.9112  3276.57  101.085  3405.55  160.680  3192.09  130.044   59.194   1.3984   57.321   1.1687 1.873333 1.822444 
1 1 1  -11   24   19 o   91.739   1.6462  8185.86  293.152   0.0000   0.0000  8185.86  293.152  ?   ?    91.739   1.6462      ?      ? 
1 1 1  -11   24   20 o  106.598   1.8898 11065.77  391.039   0.0000   0.0000 11065.77  391.039  ?   ?   106.598   1.8898      ?      ? 
1 1 1  -11   24   21 o   82.504   1.5462  6623.66  247.633   0.0000   0.0000  6623.66  247.633  ?   ?    82.504   1.5462      ?      ? 
1 1 1  -11   24   22 o   70.789   1.3857  4874.33  190.408   0.0000   0.0000  4874.33  190.408  ?   ?    70.789   1.3857      ?      ? 
1 1 1  -11   24   23 o   49.100   1.2882  2345.20  122.784   0.0000   0.0000  2345.20  122.784  ?   ?    49.100   1.2882      ?      ? 
1 1 1  -11   24   24 o   29.777   1.6210  864.916   93.700   0.0000   0.0000  864.916   93.700  ?   ?    29.777   1.6210      ?      ? 
1 1 1  -11   24   25 o   29.721   1.4862  931.440   77.887  689.794  131.464  1062.13   96.681   26.451   2.5603   32.990   1.5097 -6.539013 2.972302 
1 1 1  -11   24   26 o   15.559   2.5558  241.422   73.388  305.471  123.887  206.796   91.090   17.041   3.8375   14.078   3.3767 2.963303 5.111601 
1 1 1  -11   24   27 o   36.973   1.2960  1326.34   89.591  1413.79  150.233  1278.08  111.608   37.844   2.0450   36.101   1.5926 1.742546 2.592028 
1 1 1  -11   24   28 o   20.928   2.3568  512.773   82.146  311.517  137.193  625.252  102.564   16.786   4.2161   25.069   2.1076 -8.283411 4.713499 
1 1 1  -11   24   29 o   21.493   2.0751  451.614   82.865  551.293  144.143  402.409  101.273   23.065   3.2194   19.920   2.6190 3.144278 4.150156 
1 1 1  -11   24   30 o   17.023   2.8291  319.392   91.627  412.068  142.467  254.016  119.657   19.128   3.9671   14.919   4.0346 4.208179 5.658251 
1 1 1  -11   24   31 o   9.2079   2.8273   17.343   92.911   57.834  143.608 -11.8084  121.850   10.072   4.2604   8.3437   3.7180 1.728457 5.654585 
1 1 1  -11   25    1 o   74.730   0.7687  5405.31  106.936  5364.10  133.248  5479.87  179.237   74.334   0.9234   75.126   1.2291 -0.7919617 1.537313 
1 1 1  -11   25    2 o  105.871   0.8187 10879.87  168.184 10794.02  234.228 10971.24  241.643  105.440   1.1444  106.302   1.1710 -0.8612671 1.637347 
1 1 1  -11   25    3 o   74.941   0.6516  5440.84   94.679  5223.20  130.108  5685.81  138.037   73.351   0.9138   76.530   0.9292 -3.179108 1.303197 
1 1 1  -11   25    4 o  217.782   1.3690 46071.87  578.688 45813.88  812.423 46337.58  824.487  217.164   1.9272  218.400   1.9448 -1.235916 2.737923 
1 1 1  -11   25    5 o  247.820   1.8036 59633.65  758.210 59562.18  879.409 59840.64  1496.67  247.624   1.8295  248.015   3.1087 -0.3906403 3.607110 
1 1 1  -11   25    6 o   97.450   1.0411  9201.21  185.818  9159.60  227.496  9284.59  322.080   97.128   1.2066   97.772   1.6970 -0.6439819 2.082235 
1 1 1  -11   25    7 o   18.052   1.8202  317.565   63.559  347.436   89.764  287.531   90.009   18.907   2.4458   17.197   2.6963 1.709627 3.640364 
1 1 1  -11   25    8 f  112.867   1.3638 12380.58  298.595 12508.66  415.802 12244.20  429.065  113.473   1.8877  112.262   1.9689 1.210381 2.727627 
1 1 1  -11   25    9 o   37.800   5.3946  1759.90  110.020  1774.11  111.120  1053.04  783.759   42.742   1.3393   32.858   10.706 9.884892 10.78928 
1 1 1  -11   25   10 o  170.314   2.7502 28378.22  727.767 28430.56  814.440 28170.84  1621.20  170.972   2.4540  169.657   4.9227 1.314301 5.500416 
1 1 1  -11   25   11 o   85.897   3.5579  8123.44  281.878  8262.08  292.200  6264.51  1069.94   92.214   1.6324   79.580   6.9261 12.63378 7.115880 
1 1 1  -11   25   12 o   74.259   3.6184  5498.05  202.422  5505.61  206.623  5317.73  1008.98   75.283   1.4139   73.235   7.0973 2.048004 7.236806 
1 1 1  -11   25   13 f   61.873   4.0086  3718.30  160.131  3715.08  162.457  3828.37  949.587   61.842   1.3533   61.904   7.9022 -0.6270599E-01 8.017263 
1 1 1  -11   25   14 o   41.353   0.8048  1681.12   56.286  1619.44  110.486  1702.74   65.411   40.828   1.3941   41.878   0.8046 -1.050125 1.609615 
1 1 1  -11   25   15 o  132.872   1.3374 17313.71  330.757 16657.78  547.065 17691.63  415.250  130.831   2.1541  134.912   1.5856 -4.081299 2.674731 
1 1 1  -11   25   16 o  103.301   2.7383 10404.95  549.099   0.0000   0.0000 10404.95  549.099  ?   ?   103.301   2.7383      ?      ? 
1 1 1  -11   25   17 o   43.641   0.8705  1877.65   68.210  1777.82  120.767  1924.41   82.656   42.769   1.4546   44.514   0.9566 -1.745850 1.740976 
1 1 1  -11   25   18 o   65.310   0.9598  4146.63  119.894  4139.07  186.095  4152.00  156.764   65.252   1.4692   65.369   1.2354 -0.1168823 1.919573 
1 1 1  -11   25   19 f   65.036   1.2667  4110.77  159.921   0.0000   0.0000  4110.77  159.921  ?   ?    65.036   1.2667      ?      ? 
1 1 1  -11   25   20 o   35.903   1.2520  1252.89   87.256   0.0000   0.0000  1252.89   87.256  ?   ?    35.903   1.2520      ?      ? 
1 1 1  -11   25   21 o   35.634   1.2983  1234.78   89.804   0.0000   0.0000  1234.78   89.804  ?   ?    35.634   1.2983      ?      ? 
1 1 1  -11   25   22 o   35.173   1.4234  1203.71   97.186   0.0000   0.0000  1203.71   97.186  ?   ?    35.173   1.4234      ?      ? 
1 1 1  -11   25   23 o   33.985   1.4372  1124.44   94.816   0.0000   0.0000  1124.44   94.816  ?   ?    33.985   1.4372      ?      ? 
1 1 1  -11   25   24 o   27.152   1.8082  720.358   95.306   0.0000   0.0000  720.358   95.306  ?   ?    27.152   1.8082      ?      ? 
1 1 1  -11   25   25 o   28.914   1.3557  824.042   74.165  796.586  117.887  842.028   95.412   28.481   2.1323   29.347   1.6748 -0.8667030 2.711412 
1 1 1  -11   25   26 o   32.378   1.3915  1017.77   82.576  1068.91  144.110  992.774  100.758   32.912   2.2556   31.844   1.6300 1.068699 2.782959 
1 1 1  -11   25   27 o   32.110   1.4752  1001.85   87.393  1080.12  151.265  962.640  107.071   32.946   2.3652   31.274   1.7637 1.671858 2.950387 
1 1 1  -11   25   28 o   16.827   2.5558  343.262   80.597  173.165  136.686  433.925   99.791   12.892   4.4720   20.763   2.4759 -7.870978 5.111679 
1 1 1  -11   25   29 o   12.632   2.9476  163.638   79.545  203.958  141.324  144.941   96.237   13.599   4.5510   11.665   3.7472 1.934040 5.895205 
1 1 1  -11   25   30 o   15.824   2.8647  297.057   88.498  235.866  144.007  334.190  112.180   14.197   4.5863   17.450   3.4339 -3.253374 5.729371 
1 1 1  -11   25   31 o   6.8994   2.3642 -174.2924   95.656 -173.4782  149.996 -174.8505  124.185   7.3320   3.5345   6.4667   3.1409 0.8652935 4.728415 
1 1 1  -11   26    1 o   97.032   0.7774  9140.99  146.436  9122.21  206.886  9159.85  207.297   96.933   1.0995   97.132   1.0994 -0.1997681 1.554876 
1 1 1  -11   26    2 o  188.900   1.2493 34711.63  452.471 35000.21  596.338 34320.08  694.632  189.837   1.6183  187.962   1.9038 1.876068 2.498635 
1 1 1  -11   26    3 o  182.505   1.1440 32336.62  405.138 31918.41  564.231 32781.73  582.090  181.288   1.6033  183.722   1.6322 -2.433319 2.287929 
1 1 1  -11   26    4 o  120.109   0.9407 14011.18  219.276 14261.35  308.663 13756.29  311.563  121.192   1.3120  119.025   1.3485 2.166695 1.881436 
1 1 1  -11   26    5 o  169.338   1.5695 27905.99  488.538 27994.51  601.529 27734.47  837.349  169.765   1.8253  168.911   2.5538 0.8537750 3.139048 
1 1 1  -11   26    6 o   88.789   0.9933  7624.36  160.559  7566.96  195.285  7744.13  282.064   88.283   1.1395   89.296   1.6272 -1.012985 1.986573 
1 1 1  -11   26    7 o  126.301   1.4717 15496.87  360.451 15429.66  498.185 15570.70  522.169  126.016   2.0366  126.585   2.1250 -0.5685806 2.943354 
1 1 1  -11   26    8 o  122.427   1.4063 14567.30  334.100 14704.18  468.008 14425.06  477.099  123.016   1.9599  121.838   2.0173 1.177193 2.812545 
1 1 1  -11   26    9 f  122.046   2.8359 14219.97  430.559 14125.94  457.349 14952.77  1276.76  120.562   1.9542  123.529   5.3244 -2.967392 5.671720 
1 1 1  -11   26   10 o  108.033   3.1268 11790.83  379.753 11880.15  399.510 10954.14  1222.71  110.561   1.8615  105.506   5.9701 5.054741 6.253578 
1 1 1  -11   26   11 o  163.007   2.8871 26347.73  705.231 26570.25  781.840 25376.30  1633.59  165.247   2.4373  160.766   5.2346 4.481949 5.774240 
1 1 1  -11   26   12 o   75.019   3.7237  5718.67  212.484  5735.90  217.082  5324.98  1037.81   76.838   1.4554   73.199   7.3037 3.638786 7.447330 
1 1 1  -11   26   13 o   89.362   3.3579  7810.35  272.111  7806.95  280.399  7865.34  1127.58   89.629   1.6116   89.096   6.5196 0.5322495 6.715888 
1 1 1  -11   26   14 o   32.300   5.7879  1135.95   82.641  1139.06   82.967  742.497  932.868   34.244   1.2481   30.356   11.508 3.887194 11.57585 
1 1 1  -11   26   15 o   14.958   1.6651  276.204   19.749  167.364   81.846  282.933   20.351   12.845   3.2730   17.072   0.6141 -4.226407 3.330143 
1 1 1  -11   26   16 o  104.798   1.3258 10687.31  269.526 10553.68  386.827 10813.40  375.748  104.156   1.9132  105.439   1.8358 -1.283447 2.651542 
1 1 1  -11   26   17 o   53.928   0.8861  2796.72   87.606  2913.44  152.705  2739.45  106.958   54.749   1.4368   53.107   1.0375 1.641975 1.772277 
1 1 1  -11   26   18 o  115.127   1.4412 12903.29  321.988 12482.15  452.590 13334.91  458.181  113.221   2.0593  117.032   2.0168 -3.811356 2.882384 
1 1 1  -11   26   19 o  114.201   1.9959 12704.27  442.457   0.0000   0.0000 12704.27  442.457  ?   ?   114.201   1.9959      ?      ? 
1 1 1  -11   26   20 o   46.381   1.0983  2090.38   98.888   0.0000   0.0000  2090.38   98.888  ?   ?    46.381   1.0983      ?      ? 
1 1 1  -11   26   21 o   63.869   1.2826  3966.57  159.023   0.0000   0.0000  3966.57  159.023  ?   ?    63.869   1.2826      ?      ? 
1 1 1  -11   26   22 o   10.834   3.3833  114.770   78.940   0.0000   0.0000  114.770   78.940  ?   ?    10.834   3.3833      ?      ? 
1 1 1  -11   26   23 o   27.575   1.6017  741.147   85.737   0.0000   0.0000  741.147   85.737  ?   ?    27.575   1.6017      ?      ? 
1 1 1  -11   26   24 o   18.749   2.2797  345.044   82.971   0.0000   0.0000  345.044   82.971  ?   ?    18.749   2.2797      ?      ? 
1 1 1  -11   26   25 o   51.958   1.2970  2632.61  130.819   0.0000   0.0000  2632.61  130.819  ?   ?    51.958   1.2970      ?      ? 
1 1 1  -11   26   26 o   12.306   2.7518  125.326   70.619  241.489  130.156   76.864   84.069   15.076   4.2594   9.5355   3.4853 5.540078 5.503604 
1 1 1  -11   26   27 o   38.142   1.2600  1398.16   89.368  1558.25  153.123  1315.46  110.056   39.685   1.9877   36.600   1.5491 3.085346 2.520024 
1 1 1  -11   26   28 o   29.067   1.6082  873.621   84.427  765.161  143.800  930.674  104.295   27.461   2.6976   30.674   1.7516 -3.212387 3.216357 
1 1 1  -11   26   29 f   13.311   2.7432  208.716   81.213   87.055  139.038  271.720  100.055   10.790   4.3374   15.832   3.3597 -5.042024 5.486436 
1 1 1  -11   26   30 o   11.821   2.8257  156.311   80.976   72.548  137.329  200.958  100.261   10.305   4.2476   13.338   3.7279 -3.032213 5.651429 
1 1 1  -11   26   31 o   9.3688   2.7419   32.303   91.538 -123.9183  147.036  131.169  116.971   7.6649   3.6414   11.073   4.1004 -3.407781 5.483872 
1 1 1  -11   27    1 f   68.979   0.6385  4616.44   85.466  4719.43  122.818  4519.76  119.006   69.724   0.9074   68.234   0.8985 1.490761 1.276981 
1 1 1  -11   27    2 o   88.280   0.7307  7565.99  125.214  7589.26  177.544  7542.98  176.617   88.415   1.0345   88.145   1.0322 0.2699585 1.461358 
1 1 1  -11   27    3 o  157.887   1.2053 24232.40  367.040 24395.79  492.846 24028.94  549.987  158.492   1.6019  157.283   1.8014 1.208939 2.410627 
1 1 1  -11   27    4 o  157.418   1.3170 24098.20  389.883 24178.86  494.051 23965.04  634.790  157.784   1.6130  157.051   2.0822 0.7323914 2.633904 
1 1 1  -11   27    5 o   91.845   1.0017  8194.61  163.054  8199.14  194.362  8183.86  299.589   91.897   1.0895   91.792   1.6813 0.1046829 2.003496 
1 1 1  -11   27    6 o  188.380   1.9835 34523.09  725.059 34281.46  1038.02 34753.31  1013.21  187.730   2.8484  189.031   2.7612 -1.300064 3.967100 
1 1 1  -11   27    7 o  151.312   1.6444 22252.51  482.602 22129.22  668.112 22387.02  697.864  150.879   2.2812  151.746   2.3691 -0.8670349 3.288838 
1 1 1  -11   27    8 o  110.434   1.3208 11838.74  282.808 11613.48  389.104 12091.00  411.758  109.324   1.8335  111.544   1.9016 -2.220070 2.641601 
1 1 1  -11   27    9 o   50.611   4.8761  2593.07  130.082  2594.12  131.475  2544.48  895.953   51.681   1.3105   49.541   9.6637 2.140713 9.752119 
1 1 1  -11   27   10 o   17.259   5.0552  165.441   74.986  169.186   75.300 -281.3178  822.407   12.920   3.0511   21.598   9.6390 -8.678041 10.11038 
1 1 1  -11   27   11 o  100.738   3.2667 10210.94  340.572 10262.05  355.057  9622.66  1204.65  102.754   1.7801   98.722   6.2861 4.032272 6.533307 
1 1 1  -11   27   12 f   51.645   4.8634  2630.12  136.142  2627.62  137.646  2742.32  923.520   52.008   1.3634   51.282   9.6309 0.7259941 9.726884 
1 1 1  -11   27   13 f   74.987   4.1565  6020.64  223.987  6060.39  228.545  5053.82  1127.12   78.976   1.4908   70.997   8.1783 7.978569 8.313041 
1 1 1  -11   27   14 o   56.818   5.7614  3945.32  169.510  3977.68  171.638  2664.64  1079.94   63.982   1.3819   49.654   11.440 14.32777 11.52278 
1 1 1  -11   27   15 o  135.164   1.4661 17798.35  364.984 17716.72  623.131 17840.98  450.315  134.871   2.3801  135.457   1.7126 -0.5854797 2.932197 
1 1 1  -11   27   16 o  103.648   1.3196 10456.44  265.344 10118.82  377.050 10787.71  373.482  101.984   1.9046  105.311   1.8270 -3.326790 2.639177 
1 1 1  -11   27   17 o  111.022   1.3882 11994.87  299.116 11636.79  420.512 12361.60  425.559  109.342   1.9812  112.702   1.9452 -3.359550 2.776493 
1 1 1  -11   27   18 o  104.942   1.3394 10728.64  272.617 10347.38  388.460 11098.66  382.683  103.096   1.9411  106.788   1.8461 -3.692490 2.678757 
1 1 1  -11   27   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   27   20 o  101.063   1.7825  9947.64  349.698   0.0000   0.0000  9947.64  349.698  ?   ?   101.063   1.7825      ?      ? 
1 1 1  -11   27   21 o   77.348   1.4275  5820.19  214.339   0.0000   0.0000  5820.19  214.339  ?   ?    77.348   1.4275      ?      ? 
1 1 1  -11   27   22 o   57.281   1.2345  3191.14  137.271   0.0000   0.0000  3191.14  137.271  ?   ?    57.281   1.2345      ?      ? 
1 1 1  -11   27   23 o   42.557   1.2339  1762.75  101.935   0.0000   0.0000  1762.75  101.935  ?   ?    42.557   1.2339      ?      ? 
1 1 1  -11   27   24 o   52.741   1.2370  2709.46  126.648   0.0000   0.0000  2709.46  126.648  ?   ?    52.741   1.2370      ?      ? 
1 1 1  -11   27   25 o   18.873   2.0674  350.189   75.741   0.0000   0.0000  350.189   75.741  ?   ?    18.873   2.0674      ?      ? 
1 1 1  -11   27   26 o   32.431   1.2768  1059.99   73.418  966.140  131.272  1102.71   88.565   31.274   2.1623   33.589   1.3583 -2.315195 2.553566 
1 1 1  -11   27   27 o   27.265   1.6005  746.391   75.493  728.295  142.866  753.402   88.921   26.867   2.7393   27.662   1.6560 -0.7946911 3.200951 
1 1 1  -11   27   28 o   16.564   2.6068  287.073   75.674  326.037  141.337  271.415   89.599   17.066   4.2753   16.061   2.9837 1.004950 5.213518 
1 1 1  -11   27   29 o   16.247   2.6228  305.944   78.910  234.800  138.665  340.016   95.963   14.298   4.4872   18.195   2.7169 -3.897330 5.245633 
1 1 1  -11   27   30 o   14.449   2.8367  244.354   79.177  222.260  145.236  253.697   94.445   13.735   4.6135   15.164   3.3021 -1.429298 5.673468 
1 1 1  -11   27   31 o   8.0287   2.5284 -25.4272   85.393 -199.3156  152.669   53.745  103.015   7.1381   3.4705   8.9194   3.6779 -1.781370 5.056799 
1 1 1  -11   28    1 o  149.355   1.0230 21664.19  296.576 21810.23  417.830 21515.89  421.031  149.863   1.4363  148.847   1.4572 1.015854 2.046037 
1 1 1  -11   28    2 o  150.923   1.0323 22121.93  302.396 22441.63  427.381 21801.41  427.926  152.016   1.4483  149.831   1.4713 2.185410 2.064542 
1 1 1  -11   28    3 o   49.382   0.7447  2316.64   60.996  2271.27   69.651  2465.91  126.342   48.371   0.7418   50.393   1.2915 -2.022503 1.489407 
1 1 1  -11   28    4 o   66.637   2.0423  4547.58  112.680  4572.86  115.645  4073.34  500.825   68.633   0.8680   64.640   3.9913 3.992386 4.084621 
1 1 1  -11   28    5 o   93.983   0.9906  8639.57  164.622  8729.27  196.405  8427.73  301.837   94.820   1.0671   93.145   1.6693 1.674507 1.981246 
1 1 1  -11   28    6 f  152.119   1.5286 22533.37  444.981 22738.99  583.774 22248.22  687.460  152.968   1.9660  151.270   2.3412 1.698578 3.057136 
1 1 1  -11   28    7 o   41.188   5.2658  2866.67  144.045  533.642  773.054  2950.58  146.613   27.258   10.442   55.118   1.3703 -27.85949 10.53158 
1 1 1  -11   28    8 o   30.759   1.1296  922.648   65.875  935.709   84.846  902.825  104.525   31.037   1.4082   30.480   1.7666 0.5569916 2.259202 
1 1 1  -11   28    9 o  138.516   2.9318 18598.18  543.079 18538.37  584.536 18975.53  1468.24  138.066   2.1810  138.967   5.4428 -0.9003601 5.863522 
1 1 1  -11   28   10 o  105.253   3.1775 10793.52  351.415 10783.56  366.315 10908.54  1244.81  105.333   1.7915  105.174   6.0972 0.1588898 6.354942 
1 1 1  -11   28   11 o   24.405   5.6836  377.422   86.476  374.704   86.899  654.224  877.036   19.624   2.2812   29.185   11.136 -9.560673 11.36720 
1 1 1  -11   28   12 o   62.338   4.2692  3879.07  167.515  3881.49  169.890  3794.36  1005.29   63.209   1.3846   61.466   8.4254 1.742706 8.538389 
1 1 1  -11   28   13 o   52.233   5.3731  2658.08  139.726  2653.77  140.997  2894.32  1043.32   52.262   1.3898   52.205   10.656 0.5723953E-01 10.74619 
1 1 1  -11   28   14 o   72.513   1.4982  5110.47  210.887  5110.47  210.887   0.0000   0.0000   72.513   1.4982  ?   ?       ?      ? 
1 1 1  -11   28   15 o   37.577   0.8473  1423.58   38.539  1306.44  114.115  1438.66   40.944   36.659   1.6036   38.496   0.5479 -1.837955 1.694642 
1 1 1  -11   28   16 o  105.047   1.3231 10736.85  269.760 10687.59  384.556 10784.58  378.514  104.808   1.8902  105.287   1.8520 -0.4796219 2.646254 
1 1 1  -11   28   17 o   86.152   1.1393  7237.78  189.900  6914.90  276.159  7527.42  261.555   84.316   1.6873   87.988   1.5314 -3.671722 2.278578 
1 1 1  -11   28   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   28   19 o   59.303   0.9573  3476.53  106.647  3174.81  169.924  3672.61  136.986   57.131   1.5322   61.476   1.1479 -4.345184 1.914524 
1 1 1  -11   28   20 o   63.575   1.2190  3929.55  150.441   0.0000   0.0000  3929.55  150.441  ?   ?    63.575   1.2190      ?      ? 
1 1 1  -11   28   21 o   27.963   1.3022  760.511   70.684   0.0000   0.0000  760.511   70.684  ?   ?    27.963   1.3022      ?      ? 
1 1 1  -11   28   22 o   25.979   1.4736  657.165   74.315   0.0000   0.0000  657.165   74.315  ?   ?    25.979   1.4736      ?      ? 
1 1 1  -11   28   23 o   25.985   1.5222  658.479   76.782   0.0000   0.0000  658.479   76.782  ?   ?    25.985   1.5222      ?      ? 
1 1 1  -11   28   24 o   20.352   1.8395  405.476   72.673   0.0000   0.0000  405.476   72.673  ?   ?    20.352   1.8395      ?      ? 
1 1 1  -11   28   25 o   32.384   1.3364  1023.66   84.009   0.0000   0.0000  1023.66   84.009  ?   ?    32.384   1.3364      ?      ? 
1 1 1  -11   28   26 o   23.805   1.6737  521.430   69.045  658.355  138.181  475.868   79.709   25.629   2.7775   21.981   1.8681 3.648252 3.347300 
1 1 1  -11   28   27 o   37.154   1.2499  1304.28   82.461  1512.79  155.882  1223.25   97.170   39.010   2.0585   35.299   1.4181 3.711285 2.499709 
1 1 1  -11   28   28 o   37.335   1.2323  1292.76   81.489  1596.96  156.587  1179.78   95.429   40.034   2.0149   34.637   1.4193 5.397495 2.464626 
1 1 1  -11   28   29 o   41.115   1.2264  1614.35   91.219  1869.67  166.554  1504.96  109.024   43.187   1.9867   39.043   1.4385 4.144192 2.452846 
1 1 1  -11   28   30 o   11.640   2.9186  117.103   76.406  240.759  147.284   71.571   89.373   14.134   4.6427   9.1465   3.5382 4.987110 5.837240 
1 1 1  -11   28   31 o   19.525   2.4931  379.981   87.325  607.079  161.052  285.410  103.929   23.265   3.5661   15.784   3.4851 7.480741 4.986266 
1 1 1  -11   29    1 o  109.831   0.8487 11712.62  180.935 11652.82  254.220 11774.01  257.573  109.547   1.1955  110.115   1.2050 -0.5678024 1.697419 
1 1 1  -11   29    2 o   66.724   0.7933  4247.32   92.769  4151.05  109.126  4498.22  176.166   65.390   0.8597   68.059   1.3334 -2.668503 1.586558 
1 1 1  -11   29    3 o   19.219   1.2311  293.660   34.692  265.118   37.443  466.767   92.213   16.524   1.1673   21.913   2.1678 -5.389715 2.462104 
1 1 1  -11   29    4 o   51.307   0.7596  2599.59   64.951  2642.51   75.003  2470.90  129.878   52.174   0.7406   50.441   1.3264 1.732559 1.519163 
1 1 1  -11   29    5 o   43.534   5.4463  1960.63   61.059  1961.10   61.201  1858.24  894.766   44.946   0.7015   42.122   10.870 2.824467 10.89255 
1 1 1  -11   29    6 o   90.124   0.9538  7931.23  146.896  7978.94  171.361  7799.01  285.275   90.652   0.9738   89.595   1.6403 1.056854 1.907544 
1 1 1  -11   29    7 o  175.888   2.0122 30147.48  680.216 29948.31  1035.73 30298.55  902.013  175.336   3.0431  176.440   2.6336 -1.103439 4.024444 
1 1 1  -11   29    8 o   49.951   5.1636  3164.65  138.887  1899.13  835.739  3200.59  140.846   42.497   10.250   57.405   1.2639 -14.90796 10.32721 
1 1 1  -11   29    9 o   26.039   5.1315  823.383   95.915  835.951   96.464 -269.8055  899.689   29.329   1.6943   22.749   10.122 6.580931 10.26308 
1 1 1  -11   29   10 o   58.875   4.4837  3252.36  151.132  3244.36  152.781  3616.88  1031.64   57.791   1.3619   59.960   8.8635 -2.168823 8.967481 
1 1 1  -11   29   11 o  121.625   3.1955 14890.88  469.940 15004.25  499.010 14001.96  1397.28  124.203   2.0697  119.046   6.0465 5.157631 6.390919 
1 1 1  -11   29   12 o   54.211   5.3167  3200.40  144.066  3209.83  145.557  2746.82  1009.21   57.482   1.3045   50.940   10.553 6.542728 10.63343 
1 1 1  -11   29   13 o   32.867   6.0028  1089.54  100.060  1091.21  100.581  930.084  984.931   33.506   1.5464   32.228   11.906 1.278465 12.00555 
1 1 1  -11   29   14 o   15.988   2.8654  256.832   85.660  256.832   85.660   0.0000   0.0000   15.988   2.8654  ?   ?       ?      ? 
1 1 1  -11   29   15 o   85.889   1.6251  7172.44  270.941  7172.44  270.941   0.0000   0.0000   85.889   1.6251  ?   ?       ?      ? 
1 1 1  -11   29   16 o  150.558   1.8810 22108.97  549.638 21917.99  768.911 22308.53  785.982  149.899   2.6425  151.218   2.6776 -1.319473 3.761945 
1 1 1  -11   29   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   29   18 o   99.190   1.2690  9578.76  244.157  9089.46  343.307 10079.53  347.307   96.621   1.8304  101.759   1.7582 -5.138481 2.538052 
1 1 1  -11   29   19 o   67.019   0.9773  4395.96  125.443  4183.57  191.227  4556.40  166.201   65.577   1.5022   68.461   1.2506 -2.884079 1.954658 
1 1 1  -11   29   20 o   28.155   1.1810  770.584   64.548   0.0000   0.0000  770.584   64.548  ?   ?    28.155   1.1810      ?      ? 
1 1 1  -11   29   21 o   48.143   1.0921  2253.03  102.060   0.0000   0.0000  2253.03  102.060  ?   ?    48.143   1.0921      ?      ? 
1 1 1  -11   29   22 o   70.338   1.3478  4816.49  184.020   0.0000   0.0000  4816.49  184.020  ?   ?    70.338   1.3478      ?      ? 
1 1 1  -11   29   23 o   11.452   3.0940  134.278   70.408   0.0000   0.0000  134.278   70.408  ?   ?    11.452   3.0940      ?      ? 
1 1 1  -11   29   24 o   27.449   1.4372  735.468   76.578   0.0000   0.0000  735.468   76.578  ?   ?    27.449   1.4372      ?      ? 
1 1 1  -11   29   25 o   15.115   2.2616  225.621   66.358   0.0000   0.0000  225.621   66.358  ?   ?    15.115   2.2616      ?      ? 
1 1 1  -11   29   26 o   20.584   2.1023  453.538   66.001  398.544  137.968  469.857   75.158   19.328   3.8127   21.840   1.7728 -2.512129 4.204638 
1 1 1  -11   29   27 o   54.633   1.0863  2956.16  109.636  2881.20  184.757  2996.90  136.210   53.971   1.7635   55.294   1.2690 -1.323490 2.172634 
1 1 1  -11   29   28 o   34.946   1.3668  1252.56   80.982  1139.31  155.110  1295.00   94.950   33.597   2.3783   36.295   1.3477 -2.698288 2.733620 
1 1 1  -11   29   29 o   16.860   2.5898  292.508   73.057  358.608  151.466  272.468   83.400   17.453   4.4555   16.267   2.6412 1.186064 5.179550 
1 1 1  -11   29   30 o   17.048   2.5234  339.382   75.699  286.480  137.327  362.473   90.728   15.380   4.3856   18.716   2.4972 -3.336761 5.046729 
1 1 1  -11   30    1 o   45.174   0.7612  1960.45   61.405  1928.66   73.319  2035.11  112.377   44.571   0.8474   45.777   1.2646 -1.206024 1.522304 
1 1 1  -11   30    2 o   50.810   0.7498  2513.81   67.894  2524.68   81.340  2488.84  123.285   50.995   0.8217   50.624   1.2546 0.3714561 1.499690 
1 1 1  -11   30    3 o   62.533   0.7700  3824.67   86.318  3870.05  104.095  3724.77  154.436   63.137   0.8493   61.930   1.2846 1.207016 1.540029 
1 1 1  -11   30    4 o   97.763   1.0364  9295.10  195.956  9420.40  266.984  9148.78  288.516   98.482   1.3966   97.044   1.5316 1.437485 2.072702 
1 1 1  -11   30    5 o   22.671   1.1734  553.184   30.811  568.094   32.698  435.091   92.020   24.191   0.6963   21.152   2.2412 3.039291 2.346856 
1 1 1  -11   30    6 o  101.743   1.0695 10051.85  211.225 10051.85  211.225   0.0000   0.0000  101.743   1.0695  ?   ?       ?      ? 
1 1 1  -11   30    7 f   94.470   1.1879  8654.19  217.334  8421.58  295.846  8926.89  320.324   93.096   1.6371   95.843   1.7217 -2.746529 2.375785 
1 1 1  -11   30    8 o  108.657   1.3419 11481.73  282.860 11001.18  399.896 11962.90  400.153  106.377   1.9366  110.937   1.8582 -4.559471 2.683862 
1 1 1  -11   30    9 f   28.874   5.8758  429.985   96.323  418.879   96.863  1418.12  913.642   20.746   2.4052   37.002   11.503 -16.25567 11.75153 
1 1 1  -11   30   10 o  142.993   3.2369 21246.63  624.238 21758.74  678.014 18396.99  1599.37  149.527   2.3359  136.460   6.0378 13.06645 6.473892 
1 1 1  -11   30   11 o   54.799   5.6439  3414.43  159.097  3431.11  160.908  2686.07  1063.30   59.428   1.3948   50.171   11.201 9.256573 11.28782 
1 1 1  -11   30   12 o  182.514   3.1931 33140.65  991.401 33620.09  1157.04 31816.44  1922.90  185.558   3.2122  179.469   5.5195 6.089783 6.386196 
1 1 1  -11   30   13 o   43.986   1.3313  1879.92  113.674  1879.92  113.674   0.0000   0.0000   43.986   1.3313  ?   ?       ?      ? 
1 1 1  -11   30   14 o   80.209   1.5643  6254.04  243.566  6254.04  243.566   0.0000   0.0000   80.209   1.5643  ?   ?       ?      ? 
1 1 1  -11   30   15 o   24.637   2.2347  591.158  106.872  591.158  106.872   0.0000   0.0000   24.637   2.2347  ?   ?       ?      ? 
1 1 1  -11   30   16 o   50.136   0.8135  2365.76   57.998  2555.72  147.881  2331.23   63.049   51.272   1.4858   49.001   0.6628 2.270851 1.626979 
1 1 1  -11   30   17 o   68.812   0.9609  4609.21  126.816  4564.18  194.511  4642.52  167.251   68.511   1.4626   69.114   1.2466 -0.6030884 1.921781 
1 1 1  -11   30   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   30   19 o   61.090   0.9253  3641.69  107.762  3561.61  168.162  3697.49  140.373   60.507   1.4317   61.674   1.1725 -1.166828 1.850575 
1 1 1  -11   30   20 o   57.130   0.8852  3178.20   96.409  3149.97  151.014  3197.61  125.256   56.906   1.3671   57.355   1.1250 -0.4491043 1.770482 
1 1 1  -11   30   21 o   61.667   1.2062  3698.50  144.391   0.0000   0.0000  3698.50  144.391  ?   ?    61.667   1.2062      ?      ? 
1 1 1  -11   30   22 o   59.295   1.1966  3421.73  137.726   0.0000   0.0000  3421.73  137.726  ?   ?    59.295   1.1966      ?      ? 
1 1 1  -11   30   23 o   22.219   1.6597  482.279   71.585   0.0000   0.0000  482.279   71.585  ?   ?    22.219   1.6597      ?      ? 
1 1 1  -11   30   24 o   5.3275   2.4893 -60.2187   63.760   0.0000   0.0000 -60.2187   63.760  ?   ?    5.3275   2.4893      ?      ? 
1 1 1  -11   30   25 o   17.024   2.1096  285.950   69.716   0.0000   0.0000  285.950   69.716  ?   ?    17.024   2.1096      ?      ? 
1 1 1  -11   30   26 o   21.941   2.0182  553.611   63.320  393.203  134.541  599.250   71.765   19.176   3.7488   24.706   1.4964 -5.530588 4.036367 
1 1 1  -11   30   27 o   14.879   2.5509  234.166   64.604  234.624  137.998  234.037   73.110   14.518   4.4634   15.241   2.4711 -0.7234936 5.101851 
1 1 1  -11   30   28 o   37.071   1.2723  1354.20   79.056  1391.48  159.175  1342.00   91.085   37.184   2.2053   36.959   1.2696 0.2247734 2.544599 
1 1 1  -11   30   29 o   15.914   2.5357  338.198   67.502  161.080  152.764  381.171   75.246   12.361   4.6640   19.467   1.9912 -7.106682 5.071301 
1 1 1  -11   30   30 o   19.241   2.4514  401.914   77.774  435.645  154.492  390.464   90.012   19.041   4.2834   19.440   2.3852 -0.3991222 4.902770 
1 1 1  -11   31    1 o   94.973   0.9690  8834.55  169.156  8994.96  209.084  8530.64  287.795   96.243   1.1191   93.702   1.5822 2.540939 1.938017 
1 1 1  -11   31    2 o   95.516   0.9615  8891.49  167.878  8951.12  205.733  8772.66  290.422   96.009   1.1039   95.023   1.5745 0.9863892 1.922902 
1 1 1  -11   31    3 o   31.181   0.9259  914.864   46.021  893.716   51.650  996.346  101.381   30.340   0.8770   32.022   1.6309 -1.682280 1.851779 
1 1 1  -11   31    4 o  127.137   1.1270 15630.11  262.166 15482.87  320.293 15929.03  456.358  126.256   1.3069  128.018   1.8364 -1.761810 2.253943 
1 1 1  -11   31    5 o   23.662   1.0062  560.427   31.872  566.971   34.433  521.270   84.231   24.166   0.7340   23.157   1.8738 1.009010 2.012402 
1 1 1  -11   31    6 o   44.128   0.6877  1838.80   42.631  1816.20   46.238  1966.93  110.094   43.255   0.5507   45.002   1.2603 -1.746716 1.375343 
1 1 1  -11   31    7 o  118.920   1.9221 13748.44  443.708 13748.44  443.708   0.0000   0.0000  118.920   1.9221  ?   ?       ?      ? 
1 1 1  -11   31    8 o  124.001   3.1827 15222.30  475.810 15266.50  504.405 14865.32  1433.54  125.289   2.0740  122.714   6.0180 2.575027 6.365355 
1 1 1  -11   31    9 o  105.439   3.4138 10917.42  363.687 10918.17  377.891 10908.03  1339.08  105.974   1.8370  104.905   6.5758 1.068886 6.827534 
1 1 1  -11   31   10 o  111.309   3.5045 12568.41  420.742 12653.07  440.639 11694.01  1416.13  114.065   1.9901  108.552   6.7205 5.512947 7.008922 
1 1 1  -11   31   11 o   66.263   4.7133  4533.93  193.331  4543.75  196.077  4190.74  1159.32   68.379   1.4772   64.148   9.3101 4.230919 9.426587 
1 1 1  -11   31   12 o   20.234   2.6268  399.057  103.179  399.057  103.179   0.0000   0.0000   20.234   2.6268  ?   ?       ?      ? 
1 1 1  -11   31   13 o   67.816   1.4927  4470.01  196.499  4470.01  196.499   0.0000   0.0000   67.816   1.4927  ?   ?       ?      ? 
1 1 1  -11   31   14 o   85.823   1.6721  7162.37  278.569  7162.37  278.569   0.0000   0.0000   85.823   1.6721  ?   ?       ?      ? 
1 1 1  -11   31   15 o   51.908   1.4429  2619.14  145.391  2619.14  145.391   0.0000   0.0000   51.908   1.4429  ?   ?       ?      ? 
1 1 1  -11   31   16 o   19.369   2.1177  365.433   79.624  365.433   79.624   0.0000   0.0000   19.369   2.1177  ?   ?       ?      ? 
1 1 1  -11   31   17 o   89.456   1.1818  7774.55  204.000  7902.91  306.767  7672.78  273.150   90.106   1.7538   88.807   1.5845 1.298225 2.363589 
1 1 1  -11   31   18 o  123.569   1.5472 14881.01  370.955 14305.88  517.532 15488.72  531.986  121.111   2.2013  126.026   2.1746 -4.914818 3.094304 
1 1 1  -11   31   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   31   20 o   74.964   1.0527  5497.41  151.798  5240.02  227.540  5703.83  203.771   73.358   1.5979   76.569   1.3710 -3.210266 2.105410 
1 1 1  -11   31   21 o   65.101   1.2531  4123.51  158.361   0.0000   0.0000  4123.51  158.361  ?   ?    65.101   1.2531      ?      ? 
1 1 1  -11   31   22 o   57.983   1.1956  3272.81  134.572   0.0000   0.0000  3272.81  134.572  ?   ?    57.983   1.1956      ?      ? 
1 1 1  -11   31   23 o   40.144   1.1447  1569.41   89.206   0.0000   0.0000  1569.41   89.206  ?   ?    40.144   1.1447      ?      ? 
1 1 1  -11   31   24 o   23.906   1.4908  558.654   69.185   0.0000   0.0000  558.654   69.185  ?   ?    23.906   1.4908      ?      ? 
1 1 1  -11   31   25 o   10.649   3.1718  116.620   70.466   0.0000   0.0000  116.620   70.466  ?   ?    10.649   3.1718      ?      ? 
1 1 1  -11   31   26 o   20.556   1.6160  404.817   58.798  465.033  111.422  381.576   69.221   21.464   2.6743   19.647   1.8150 1.816133 3.231996 
1 1 1  -11   31   27 o   42.684   1.1658  1794.13   85.758  1809.71  164.958  1788.36  100.392   42.642   1.9928   42.725   1.2105 -0.8322906E-01 2.331657 
1 1 1  -11   31   28 o   9.1080   2.6655   45.680   63.728   59.116  145.229   42.476   70.921   10.324   4.3209   7.8924   3.1225 2.431232 5.331033 
1 1 1  -11   31   29 o   15.573   2.6258  297.421   70.866  209.056  151.823  322.036   80.130   13.387   4.7092   17.758   2.3245 -4.371477 5.251658 
1 1 1  -11   31   30 o   14.595   2.7934  268.269   77.036  203.809  158.323  288.265   88.178   12.936   4.7744   16.253   2.9013 -3.316642 5.586824 
1 1 1  -11   32    1 o  131.649   1.1754 16836.84  284.101 16826.75  349.064 16856.65  488.973  131.616   1.3663  131.682   1.9129 -0.6628418E-01 2.350708 
1 1 1  -11   32    2 o   50.041   0.7677  2428.98   66.664  2425.62   78.320  2437.82  127.009   49.984   0.8072   50.099   1.3060 -0.1142654 1.535313 
1 1 1  -11   32    3 o   65.087   0.7898  4139.26   92.753  4183.63  112.427  4044.71  164.125   65.643   0.8823   64.531   1.3102 1.112091 1.579604 
1 1 1  -11   32    4 o   86.844   0.8992  7289.46  141.061  7228.46  170.341  7422.60  251.640   86.280   1.0171   87.409   1.4831 -1.128937 1.798306 
1 1 1  -11   32    5 o  191.034   1.4164 35437.30  501.157 35329.54  621.336 35637.96  847.803  190.669   1.6787  191.399   2.2819 -0.7293701 2.832855 
1 1 1  -11   32    6 o   70.065   0.8294  4873.59   94.045  4963.09  107.267  4576.21  195.534   71.499   0.7729   68.631   1.4677 2.867867 1.658753 
1 1 1  -11   32    7 o   12.431   2.4256  152.176   59.394  138.790   76.095  173.043   95.011   11.749   3.2342   13.112   3.6158 -1.363135 4.851225 
1 1 1  -11   32    8 o   56.783   1.3660  3132.30  150.566  3132.30  150.566   0.0000   0.0000   56.783   1.3660  ?   ?       ?      ? 
1 1 1  -11   32    9 o  172.252   3.1781 29501.67  800.203 29723.95  881.068 28454.77  1912.09  174.705   2.5980  169.800   5.8010 4.904617 6.356235 
1 1 1  -11   32   10 o  104.536   3.5615 10391.74  361.705 10335.70  374.153 11192.18  1414.02  103.092   1.8696  105.980   6.8733 -2.888458 7.123028 
1 1 1  -11   32   11 o   29.929   1.8673  871.222  108.485  871.222  108.485   0.0000   0.0000   29.929   1.8673  ?   ?       ?      ? 
1 1 1  -11   32   12 o   31.451   1.8287  962.041  111.643  962.041  111.643   0.0000   0.0000   31.451   1.8287  ?   ?       ?      ? 
1 1 1  -11   32   13 o   20.937   2.6340  427.392  107.053  427.392  107.053   0.0000   0.0000   20.937   2.6340  ?   ?       ?      ? 
1 1 1  -11   32   14 o   33.170   1.7218  1070.11  110.864  1070.11  110.864   0.0000   0.0000   33.170   1.7218  ?   ?       ?      ? 
1 1 1  -11   32   15 o   63.414   1.4010  3908.97  172.459  3908.97  172.459   0.0000   0.0000   63.414   1.4010  ?   ?       ?      ? 
1 1 1  -11   32   16 o   55.849   1.4616  3033.19  158.460  3033.19  158.460   0.0000   0.0000   55.849   1.4616  ?   ?       ?      ? 
1 1 1  -11   32   17 o   56.601   0.9100  3151.59   95.192  2989.18  159.320  3241.76  118.712   55.440   1.4804   57.763   1.0587 -2.323326 1.820034 
1 1 1  -11   32   18 o   17.812   1.9776  343.619   41.108  282.122  118.798  351.984   43.815   16.595   3.7732   19.028   1.1862 -2.433361 3.955244 
1 1 1  -11   32   19 o   87.212   1.1501  7419.90  194.279  7094.94  280.066  7721.32  269.728   85.357   1.6903   89.067   1.5601 -3.709999 2.300189 
1 1 1  -11   32   20 o   58.556   0.9758  3376.78  105.905  3197.34  176.022  3478.59  132.588   57.299   1.5826   59.814   1.1419 -2.515312 1.951527 
1 1 1  -11   32   21 o   34.721   1.0947  1172.61   73.784   0.0000   0.0000  1172.61   73.784  ?   ?    34.721   1.0947      ?      ? 
1 1 1  -11   32   22 o   10.113   2.8905  103.594   59.584   0.0000   0.0000  103.594   59.584  ?   ?    10.113   2.8905      ?      ? 
1 1 1  -11   32   23 o   33.505   1.1741  1093.84   76.364   0.0000   0.0000  1093.84   76.364  ?   ?    33.505   1.1741      ?      ? 
1 1 1  -11   32   24 o   8.3531   3.0097   59.655   62.369   0.0000   0.0000   59.655   62.369  ?   ?    8.3531   3.0097      ?      ? 
1 1 1  -11   32   25 o   5.4460   2.5598 -69.3243   69.143   0.0000   0.0000 -69.3243   69.143  ?   ?    5.4460   2.5598      ?      ? 
1 1 1  -11   32   26 o   26.595   1.5384  724.222   68.202  669.738  134.509  743.076   79.127   25.704   2.6957   27.485   1.4831 -1.781010 3.076768 
1 1 1  -11   32   27 o   38.026   1.2319  1419.55   79.743  1461.18  157.038  1405.08   92.566   38.212   2.1171   37.841   1.2602 0.3714256 2.463747 
1 1 1  -11   32   28 o   37.089   1.2246  1345.93   79.406  1424.57  150.877  1315.81   93.385   37.630   2.0655   36.549   1.3162 1.080212 2.449251 
1 1 1  -11   32   29 o   9.7343   2.8109   43.219   70.514  154.795  154.640   13.930   79.230   12.100   4.6616   7.3680   3.1423 4.732447 5.621786 
1 1 1  -11   33    1 o   76.549   0.8597  5675.42  118.351  5649.41  142.506  5733.25  212.469   76.276   0.9625   76.821   1.4248 -0.5442123 1.719402 
1 1 1  -11   33    2 o   92.107   0.9501  8281.78  159.215  8359.43  194.364  8123.41  277.588   92.780   1.0792   91.434   1.5640 1.346138 1.900169 
1 1 1  -11   33    3 o   94.998   0.9868  8792.13  169.642  8836.58  205.860  8698.06  299.460   95.389   1.1117   94.607   1.6306 0.7818680 1.973537 
1 1 1  -11   33    4 o  130.066   1.1918 16490.18  283.761 16588.85  348.164 16294.94  489.723  130.676   1.3725  129.455   1.9488 1.221268 2.383617 
1 1 1  -11   33    5 f   96.908   1.0100  9064.87  176.397  8966.85  212.457  9282.39  316.486   96.087   1.1390   97.728   1.6683 -1.640938 2.020045 
1 1 1  -11   33    6 o   89.506   1.0100  7713.83  162.632  7600.99  195.412  7968.14  293.347   88.467   1.1379   90.545   1.6690 -2.078339 2.019986 
1 1 1  -11   33    7 o  122.048   1.4513 14490.61  343.289 14544.42  472.750 14430.58  499.306  122.295   1.9914  121.801   2.1118 0.4942245 2.902635 
1 1 1  -11   33    8 o  100.398   4.1537  9853.40  335.507  9843.33  343.349 10066.16  1578.77  100.626   1.7578  100.170   8.1193 0.4566879 8.307384 
1 1 1  -11   33    9 o   26.379   1.9239  676.831   98.518  676.831   98.518   0.0000   0.0000   26.379   1.9239  ?   ?       ?      ? 
1 1 1  -11   33   10 o   90.866   1.6770  8027.51  295.802  8027.51  295.802   0.0000   0.0000   90.866   1.6770  ?   ?       ?      ? 
1 1 1  -11   33   11 o   59.111   1.3456  3395.20  154.398  3395.20  154.398   0.0000   0.0000   59.111   1.3456  ?   ?       ?      ? 
1 1 1  -11   33   12 o   62.575   1.3766  3805.07  167.208  3805.07  167.208   0.0000   0.0000   62.575   1.3766  ?   ?       ?      ? 
1 1 1  -11   33   13 o   93.860   1.7428  8568.58  317.543  8568.58  317.543   0.0000   0.0000   93.860   1.7428  ?   ?       ?      ? 
1 1 1  -11   33   14 o   36.008   1.4878  1260.54  103.994  1260.54  103.994   0.0000   0.0000   36.008   1.4878  ?   ?       ?      ? 
1 1 1  -11   33   15 o   28.712   2.0314  802.893  113.220  802.893  113.220   0.0000   0.0000   28.712   2.0314  ?   ?       ?      ? 
1 1 1  -11   33   16 o   57.882   1.4715  3258.40  165.335  3258.40  165.335   0.0000   0.0000   57.882   1.4715  ?   ?       ?      ? 
1 1 1  -11   33   17 f   30.284   0.9405  846.162   38.737  957.050  105.389  828.841   41.652   31.353   1.7316   29.214   0.7345 2.138783 1.880933 
1 1 1  -11   33   18 f   34.505   1.0754  1235.17   52.978  1047.08  126.241  1275.38   58.367   32.773   1.9843   36.236   0.8298 -3.462185 2.150831 
1 1 1  -11   33   19 o   53.431   0.9386  2712.95   88.738  2932.57  166.560  2625.90  104.859   54.884   1.5634   51.979   1.0392 2.904720 1.877266 
1 1 1  -11   33   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   33   21 o   71.585   1.0006  5007.21  138.373  4841.23  203.969  5148.72  188.342   70.467   1.4911   72.703   1.3345 -2.235756 2.001100 
1 1 1  -11   33   22 o   15.868   1.9737  246.721   60.796   0.0000   0.0000  246.721   60.796  ?   ?    15.868   1.9737      ?      ? 
1 1 1  -11   33   23 o   56.212   1.1722  3079.83  127.912   0.0000   0.0000  3079.83  127.912  ?   ?    56.212   1.1722      ?      ? 
1 1 1  -11   33   24 o   32.812   1.2025  1050.71   76.594   0.0000   0.0000  1050.71   76.594  ?   ?    32.812   1.2025      ?      ? 
1 1 1  -11   33   25 o   5.7989   2.6600 -44.1694   67.977   0.0000   0.0000 -44.1694   67.977  ?   ?    5.7989   2.6600      ?      ? 
1 1 1  -11   33   26 f   25.673   1.5688  649.519   78.181   0.0000   0.0000  649.519   78.181  ?   ?    25.673   1.5688      ?      ? 
1 1 1  -11   33   27 o   22.266   1.8231  470.846   66.939  573.808  143.043  441.976   75.744   23.462   3.1408   21.070   1.8519 2.391581 3.646152 
1 1 1  -11   33   28 o   32.071   1.4398  973.196   77.868  1166.90  160.750  913.810   89.007   33.769   2.4522   30.373   1.5096 3.396235 2.879664 
1 1 1  -11   33   29 o   18.046   2.6183  446.644   76.441  228.566  160.835  510.280   86.881   13.650   4.8421   22.443   1.9943 -8.793281 5.236669 
1 1 1  -11   34    1 o   79.076   0.8837  6086.96  125.324  6108.40  150.866  6039.23  225.107   79.313   0.9799   78.839   1.4709 0.4736633 1.767409 
1 1 1  -11   34    2 o   75.025   0.8737  5440.71  116.821  5400.76  139.563  5534.22  213.519   74.578   0.9640   75.472   1.4574 -0.8936920 1.747415 
1 1 1  -11   34    3 o   56.842   0.7703  3168.22   77.585  3213.58   92.800  3062.90  141.408   57.531   0.8310   56.153   1.2973 1.378647 1.540607 
1 1 1  -11   34    4 o  105.457   1.0239 10715.53  196.276 10553.78  237.959 11059.80  347.159  104.241   1.1760  106.674   1.6765 -2.432457 2.047828 
1 1 1  -11   34    5 o   67.058   0.7904  4390.22   83.110  4406.41   93.317  4328.13  182.762   67.371   0.7135   66.745   1.4106 0.6253204 1.580794 
1 1 1  -11   34    6 o   81.894   0.8942  6619.13  121.723  6720.33  140.348  6311.91  244.526   83.195   0.8691   80.593   1.5630 2.601784 1.788369 
1 1 1  -11   34    7 o   47.344   0.9503  2193.98   86.428  2313.37  116.187  2046.07  129.320   48.801   1.2265   45.888   1.4518 2.913284 1.900509 
1 1 1  -11   34    8 o   92.062   4.6843  8147.44  297.517  8127.21  302.428  8755.18  1657.66   91.429   1.7040   92.696   9.2123 -1.267067 9.368605 
1 1 1  -11   34    9 o   26.462   1.8920  681.130   97.186  681.130   97.186   0.0000   0.0000   26.462   1.8920  ?   ?       ?      ? 
1 1 1  -11   34   10 o   51.354   1.3515  2562.61  134.729  2562.61  134.729   0.0000   0.0000   51.354   1.3515  ?   ?       ?      ? 
1 1 1  -11   34   11 o   68.887   1.4188  4611.79  189.727  4611.79  189.727   0.0000   0.0000   68.887   1.4188  ?   ?       ?      ? 
1 1 1  -11   34   12 o   50.350   1.3560  2463.66  132.536  2463.66  132.536   0.0000   0.0000   50.350   1.3560  ?   ?       ?      ? 
1 1 1  -11   34   13 o   57.221   1.4116  3182.53  156.790  3182.53  156.790   0.0000   0.0000   57.221   1.4116  ?   ?       ?      ? 
1 1 1  -11   34   14 o   23.744   2.4864  549.870  114.598  549.870  114.598   0.0000   0.0000   23.744   2.4864  ?   ?       ?      ? 
1 1 1  -11   34   15 o   14.402   3.7855  211.336  107.219  211.336  107.219   0.0000   0.0000   14.402   3.7855  ?   ?       ?      ? 
1 1 1  -11   34   16 o   58.826   1.3982  3364.90  159.666  3364.90  159.666   0.0000   0.0000   58.826   1.3982  ?   ?       ?      ? 
1 1 1  -11   34   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   34   18 o   11.399   2.1202   82.655   33.244  220.385  103.045   66.654   35.122   14.671   3.6366   8.1266   2.1809 6.543976 4.240421 
1 1 1  -11   34   19 o   47.975   0.9453  2179.93   77.208  2363.09  154.379  2118.84   89.159   49.257   1.6146   46.693   0.9837 2.563805 1.890628 
1 1 1  -11   34   20 o   73.621   1.0614  5305.72  149.244  5139.14  230.866  5425.30  195.613   72.596   1.6383   74.646   1.3500 -2.049629 2.122810 
1 1 1  -11   34   21 o   44.872   0.9750  1985.88   77.134  1905.71  141.452  2019.81   92.018   44.180   1.6494   45.564   1.0404 -1.384209 1.950058 
1 1 1  -11   34   22 o   14.066   2.0871  194.303   56.987   0.0000   0.0000  194.303   56.987  ?   ?    14.066   2.0871      ?      ? 
1 1 1  -11   34   23 o   19.740   1.6422  381.569   62.929   0.0000   0.0000  381.569   62.929  ?   ?    19.740   1.6422      ?      ? 
1 1 1  -11   34   24 o   23.297   1.4806  531.833   66.960   0.0000   0.0000  531.833   66.960  ?   ?    23.297   1.4806      ?      ? 
1 1 1  -11   34   25 f   27.786   1.3546  757.198   73.062   0.0000   0.0000  757.198   73.062  ?   ?    27.786   1.3546      ?      ? 
1 1 1  -11   34   26 o   16.747   2.1174  280.043   68.831   0.0000   0.0000  280.043   68.831  ?   ?    16.747   2.1174      ?      ? 
1 1 1  -11   34   27 o   19.734   2.4276  507.155   71.396  270.233  143.761  584.720   82.257   15.220   4.5298   24.248   1.7476 -9.028263 4.855243 
1 1 1  -11   34   28 o   14.158   2.5971  254.090   69.616  124.420  155.255  286.722   77.884   11.581   4.6078   16.735   2.3975 -5.154002 5.194247 
1 1 1  -11   34   29 o   19.894   2.2697  370.590   77.610  578.774  161.819  308.396   88.447   22.668   3.6774   17.120   2.6614 5.547926 4.539428 
1 1 1  -11   35    1 o   88.947   0.9518  7701.43  153.220  7729.11  185.879  7642.76  270.634   89.211   1.0734   88.682   1.5721 0.5293579 1.903578 
1 1 1  -11   35    2 o  136.770   1.2221 18255.75  309.004 18424.26  383.473 17943.73  521.808  137.706   1.4346  135.835   1.9790 1.871201 2.444217 
1 1 1  -11   35    3 o   65.017   0.8361  4125.43   95.523  4152.45  113.364  4059.28  177.387   65.395   0.8930   64.638   1.4137 0.7575531 1.672170 
1 1 1  -11   35    4 o   47.028   0.7922  2155.55   62.145  2162.85   71.549  2133.15  125.404   47.198   0.7809   46.857   1.3787 0.3408508 1.584500 
1 1 1  -11   35    5 o   92.542   0.9085  8361.41  141.528  8404.05  163.756  8235.57  281.343   93.031   0.9068   92.053   1.5745 0.9787598 1.816923 
1 1 1  -11   35    6 o   48.536   0.8028  2266.40   51.000  2258.76   54.658  2317.83  141.785   48.236   0.5837   48.836   1.4956 -0.5999451 1.605504 
1 1 1  -11   35    7 o  102.406   1.3195 10199.92  262.292 10240.41  370.724 10159.34  371.151  102.610   1.8612  102.201   1.8708 0.4080811 2.638949 
1 1 1  -11   35    8 o   83.320   1.5812  6748.39  255.751  6748.39  255.751   0.0000   0.0000   83.320   1.5812  ?   ?       ?      ? 
1 1 1  -11   35    9 o   60.195   1.3855  3521.07  161.895  3521.07  161.895   0.0000   0.0000   60.195   1.3855  ?   ?       ?      ? 
1 1 1  -11   35   10 o   62.030   1.4028  3739.24  168.906  3739.24  168.906   0.0000   0.0000   62.030   1.4028  ?   ?       ?      ? 
1 1 1  -11   35   11 o  101.889   1.8700 10100.00  369.853 10100.00  369.853   0.0000   0.0000  101.889   1.8700  ?   ?       ?      ? 
1 1 1  -11   35   12 o   60.799   1.4397  3593.12  169.915  3593.12  169.915   0.0000   0.0000   60.799   1.4397  ?   ?       ?      ? 
1 1 1  -11   35   13 o   78.262   1.6176  5956.87  245.751  5956.87  245.751   0.0000   0.0000   78.262   1.6176  ?   ?       ?      ? 
1 1 1  -11   35   14 o   66.811   1.4985  4341.01  194.338  4341.01  194.338   0.0000   0.0000   66.811   1.4985  ?   ?       ?      ? 
1 1 1  -11   35   15 o   30.575   1.5036  909.201   89.237  909.201   89.237   0.0000   0.0000   30.575   1.5036  ?   ?       ?      ? 
1 1 1  -11   35   16 o   50.838   1.5591  2515.04  153.859  2515.04  153.859   0.0000   0.0000   50.838   1.5591  ?   ?       ?      ? 
1 1 1  -11   35   17 o   42.695   1.5277  1773.82  126.615  1773.82  126.615   0.0000   0.0000   42.695   1.5277  ?   ?       ?      ? 
1 1 1  -11   35   18 o   60.584   0.9694  3555.01  107.359  3618.33  187.152  3523.96  131.070   60.961   1.5815   60.208   1.1215 0.7531815 1.938789 
1 1 1  -11   35   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   35   20 o   46.162   0.9289  2079.23   75.519  2066.21  140.005  2084.58   89.685   46.027   1.5670   46.298   0.9979 -0.2712059 1.857771 
1 1 1  -11   35   21 o   23.259   1.5563  519.124   52.475  549.503  129.643  513.172   57.386   23.569   2.8336   22.949   1.2882 0.6205482 3.112698 
1 1 1  -11   35   22 f   24.726   1.2803  596.306   61.450   0.0000   0.0000  596.306   61.450  ?   ?    24.726   1.2803      ?      ? 
1 1 1  -11   35   23 o   49.458   1.0858  2384.26  104.248   0.0000   0.0000  2384.26  104.248  ?   ?    49.458   1.0858      ?      ? 
1 1 1  -11   35   24 o   7.0748   2.8526   25.274   60.337   0.0000   0.0000   25.274   60.337  ?   ?    7.0748   2.8526      ?      ? 
1 1 1  -11   35   25 o   31.017   1.2979  943.503   78.144   0.0000   0.0000  943.503   78.144  ?   ?    31.017   1.2979      ?      ? 
1 1 1  -11   35   26 o   7.7593   3.0634   39.915   68.127   0.0000   0.0000   39.915   68.127  ?   ?    7.7593   3.0634      ?      ? 
1 1 1  -11   35   27 o   19.704   2.2696  390.418   68.773  460.328  152.766  372.648   77.019   20.161   4.0441   19.246   2.0615 0.9147720 4.539261 
1 1 1  -11   35   28 o   14.806   2.6090  275.675   65.983  172.924  157.829  297.437   72.636   12.519   4.7366   17.093   2.1891 -4.574127 5.218025 
1 1 1  -11   35   29 o   6.6478   2.9577 -12.0204   76.790   0.0000   0.0000 -12.0204   76.790  ?   ?    6.6478   2.9577      ?      ? 
1 1 1  -11   36    1 o   49.211   0.8114  2331.61   69.607  2305.82   81.815  2399.20  132.452   48.730   0.8649   49.691   1.3732 -0.9603920 1.622843 
1 1 1  -11   36    2 o   51.423   0.8271  2590.41   71.046  2611.81   81.959  2525.70  142.502   51.864   0.8141   50.981   1.4399 0.8831978 1.654132 
1 1 1  -11   36    3 o   82.472   0.9035  6704.52  136.270  6908.34  168.130  6314.23  232.650   84.340   1.0269   80.605   1.4869 3.735451 1.807050 
1 1 1  -11   36    4 o   40.404   0.8359  1549.43   54.145  1522.25   60.978  1650.74  117.722   39.595   0.7933   41.214   1.4715 -1.618290 1.671716 
1 1 1  -11   36    5 o   46.069   0.8323  2098.30   60.465  2125.31   68.190  1998.92  130.791   46.786   0.7508   45.351   1.4857 1.435017 1.664613 
1 1 1  -11   36    6 o   32.967   0.8683  1082.36   31.702  1088.28   33.269  1023.86  104.542   33.483   0.5119   32.452   1.6595 1.030643 1.736674 
1 1 1  -11   36    7 o   23.806   1.6557  569.015   74.012  646.878   97.746  464.386  113.308   25.786   1.9528   21.826   2.6744 3.960337 3.311447 
1 1 1  -11   36    8 o   34.150   1.3347  1133.20   88.478  1133.20   88.478   0.0000   0.0000   34.150   1.3347  ?   ?       ?      ? 
1 1 1  -11   36    9 o   41.758   1.3791  1694.53  111.788  1694.53  111.788   0.0000   0.0000   41.758   1.3791  ?   ?       ?      ? 
1 1 1  -11   36   10 o   23.328   2.1707  529.895   98.300  529.895   98.300   0.0000   0.0000   23.328   2.1707  ?   ?       ?      ? 
1 1 1  -11   36   11 f   59.424   1.4226  3432.37  164.104  3432.37  164.104   0.0000   0.0000   59.424   1.4226  ?   ?       ?      ? 
1 1 1  -11   36   12 o   24.994   2.1478  608.500  104.206  608.500  104.206   0.0000   0.0000   24.994   2.1478  ?   ?       ?      ? 
1 1 1  -11   36   13 o   75.161   1.5262  5494.05  222.670  5494.05  222.670   0.0000   0.0000   75.161   1.5262  ?   ?       ?      ? 
1 1 1  -11   36   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   36   15 o   74.629   1.5848  5419.21  229.584  5419.21  229.584   0.0000   0.0000   74.629   1.5848  ?   ?       ?      ? 
1 1 1  -11   36   16 o   26.925   2.1871  707.431  114.312  707.431  114.312   0.0000   0.0000   26.925   2.1871  ?   ?       ?      ? 
1 1 1  -11   36   17 o   49.033   1.5386  2340.10  146.449  2340.10  146.449   0.0000   0.0000   49.033   1.5386  ?   ?       ?      ? 
1 1 1  -11   36   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   36   19 o   52.808   0.9542  2700.19   88.307  2750.75  166.119  2680.27  104.258   53.115   1.6111   52.502   1.0230 0.6136703 1.908482 
1 1 1  -11   36   20 o   79.367   1.0956  6140.16  166.824  6182.02  256.632  6109.53  219.537   79.571   1.6615   79.164   1.4286 0.4065018 2.191210 
1 1 1  -11   36   21 o   57.355   0.9411  3194.02  100.075  3254.69  169.426  3161.51  124.021   57.732   1.5118   56.977   1.1213 0.7546349 1.882268 
1 1 1  -11   36   22 o   15.679   1.9729  297.248   48.433  162.503   93.321  346.921   56.661   12.526   3.6286   18.833   1.5499 -6.307234 3.945716 
1 1 1  -11   36   23 o   39.531   1.0706  1523.93   82.154   0.0000   0.0000  1523.93   82.154  ?   ?    39.531   1.0706      ?      ? 
1 1 1  -11   36   24 o   11.104   2.8966  129.645   63.092   0.0000   0.0000  129.645   63.092  ?   ?    11.104   2.8966      ?      ? 
1 1 1  -11   36   25 o   10.007   3.1080  103.633   66.720   0.0000   0.0000  103.633   66.720  ?   ?    10.007   3.1080      ?      ? 
1 1 1  -11   36   26 o   6.0150   2.7322 -33.6532   69.474   0.0000   0.0000 -33.6532   69.474  ?   ?    6.0150   2.7322      ?      ? 
1 1 1  -11   36   27 o   17.183   2.5910  345.523   68.507  290.655  156.176  358.596   76.233   15.512   4.7448   18.853   2.0830 -3.341151 5.181941 
1 1 1  -11   36   28 o   13.977   2.5935  253.279   72.018  112.652  154.815  292.115   81.356   11.172   4.5462   16.781   2.4975 -5.608629 5.187053 
1 1 1  -11   37    1 o   20.835   1.5417  417.163   49.283  413.809   54.785  431.392  112.832   20.636   1.3676   21.033   2.7635 -0.3968983 3.083387 
1 1 1  -11   37    2 o   47.579   0.7997  2172.64   64.323  2146.11   74.266  2252.29  128.684   47.013   0.8138   48.144   1.3769 -1.130898 1.599437 
1 1 1  -11   37    3 o   37.122   0.9290  1343.56   54.291  1346.88   61.025  1330.99  118.890   37.244   0.8441   37.000   1.6553 0.2432327 1.858079 
1 1 1  -11   37    4 o   39.842   0.8736  1564.24   55.695  1581.60   63.121  1503.23  118.345   40.359   0.8057   39.326   1.5503 1.033756 1.747138 
1 1 1  -11   37    5 o   51.285   0.7998  2546.18   67.961  2538.32   77.876  2571.30  139.183   51.130   0.7846   51.440   1.3939 -0.3100700 1.599541 
1 1 1  -11   37    6 o   78.629   0.9008  6026.12  112.901  6040.71  127.485  5973.08  243.087   78.874   0.8326   78.385   1.5976 0.4883804 1.801543 
1 1 1  -11   37    7 o   53.952   0.9950  2828.54  104.173  2820.08  145.452  2837.45  149.269   53.870   1.3909   54.034   1.4231 -0.1641197 1.989965 
1 1 1  -11   37    8 o   52.703   1.3570  2699.19  138.828  2699.19  138.828   0.0000   0.0000   52.703   1.3570  ?   ?       ?      ? 
1 1 1  -11   37    9 o   31.166   1.5017  944.218   90.851  944.218   90.851   0.0000   0.0000   31.166   1.5017  ?   ?       ?      ? 
1 1 1  -11   37   10 o   42.738   1.3623  1775.17  113.022  1775.17  113.022   0.0000   0.0000   42.738   1.3623  ?   ?       ?      ? 
1 1 1  -11   37   11 o   89.265   1.6698  7750.50  289.340  7750.50  289.340   0.0000   0.0000   89.265   1.6698  ?   ?       ?      ? 
1 1 1  -11   37   12 o   31.375   1.6077  957.501   97.915  957.501   97.915   0.0000   0.0000   31.375   1.6077  ?   ?       ?      ? 
1 1 1  -11   37   13 o   74.266   1.4925  5364.36  215.159  5364.36  215.159   0.0000   0.0000   74.266   1.4925  ?   ?       ?      ? 
1 1 1  -11   37   14 o   44.048   1.5780  1887.62  134.927  1887.62  134.927   0.0000   0.0000   44.048   1.5780  ?   ?       ?      ? 
1 1 1  -11   37   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   37   16 o   40.743   1.4921  1615.25  118.009  1615.25  118.009   0.0000   0.0000   40.743   1.4921  ?   ?       ?      ? 
1 1 1  -11   37   17 o   23.776   2.6881  553.791  124.065  553.791  124.065   0.0000   0.0000   23.776   2.6881  ?   ?       ?      ? 
1 1 1  -11   37   18 o   41.248   0.9273  1615.00   59.797  1725.08  134.587  1587.93   66.747   42.070   1.6480   40.425   0.8506 1.644669 1.854590 
1 1 1  -11   37   19 o   31.787   1.0570  972.752   48.059  1003.62  120.187  966.877   52.433   32.036   1.9327   31.539   0.8564 0.4969215 2.113921 
1 1 1  -11   37   20 o   56.680   0.9751  3058.26   98.031  3314.39  183.288  2955.63  116.020   58.254   1.6208   55.106   1.0846 3.148132 1.950254 
1 1 1  -11   37   21 o   51.330   1.0088  2606.89   90.200  2494.35  168.558  2652.05  106.775   50.473   1.7204   52.186   1.0540 -1.713482 2.017590 
1 1 1  -11   37   22 o   53.573   1.0211  2848.67   97.640  2695.81  174.512  2918.32  117.804   52.430   1.7147   54.715   1.1091 -2.284805 2.042126 
1 1 1  -11   37   23 o   39.545   1.0467  1525.69   80.349   0.0000   0.0000  1525.69   80.349  ?   ?    39.545   1.0467      ?      ? 
1 1 1  -11   37   24 o   6.3694   2.7405  -0.3851   61.226   0.0000   0.0000  -0.3851   61.226  ?   ?    6.3694   2.7405      ?      ? 
1 1 1  -11   37   25 o   31.338   1.2617  963.286   76.754   0.0000   0.0000  963.286   76.754  ?   ?    31.338   1.2617      ?      ? 
1 1 1  -11   37   26 o   11.253   3.1951  137.268   73.055   0.0000   0.0000  137.268   73.055  ?   ?    11.253   3.1951      ?      ? 
1 1 1  -11   37   27 o   14.372   2.8407  203.782   70.375  320.873  155.307  173.527   78.945   16.221   4.6758   12.524   3.2272 3.697783 5.681365 
1 1 1  -11   37   28 o   8.1602   3.2853   47.706   79.892   0.0000   0.0000   47.706   79.892  ?   ?    8.1602   3.2853      ?      ? 
1 1 1  -11   38    1 o  183.367   1.6182 33005.94  545.816 33590.06  675.234 31904.74  927.120  185.827   1.8719  180.907   2.6401 4.919281 3.236349 
1 1 1  -11   38    2 o   30.048   1.0492  817.308   49.035  780.373   54.302  980.454  114.127   28.347   0.9869   31.749   1.8518 -3.402222 2.098349 
1 1 1  -11   38    3 o   28.268   1.0981  771.961   49.242  768.471   55.409  785.075  107.407   28.129   1.0147   28.406   1.9478 -0.2774639 2.196291 
1 1 1  -11   38    4 o   16.493   1.5552  219.851   28.573  211.265   29.721  324.558  103.793   14.748   1.0381   18.237   2.9320 -3.488033 3.110338 
1 1 1  -11   38    5 o   46.898   0.8020  2077.80   50.212  2056.30   53.918  2218.25  137.807   46.023   0.6035   47.773   1.4860 -1.749599 1.603911 
1 1 1  -11   38    6 o   32.491   0.9656  1017.82   33.218  1016.28   34.638  1035.47  117.212   32.355   0.5515   32.626   1.8507 -0.2705879 1.931154 
1 1 1  -11   38    7 o  100.226   1.0651  9834.43  181.933  9911.65  212.029  9618.87  354.259  101.014   1.0813   99.437   1.8353 1.577278 2.130152 
1 1 1  -11   38    8 o   57.833   1.4100  3250.83  158.291  3250.83  158.291   0.0000   0.0000   57.833   1.4100  ?   ?       ?      ? 
1 1 1  -11   38    9 o   8.1407   3.4304   6.7567   92.533   6.7567   92.533   0.0000   0.0000   8.1407   3.4304  ?   ?       ?      ? 
1 1 1  -11   38   10 o   63.472   1.3827  3916.03  170.368  3916.03  170.368   0.0000   0.0000   63.472   1.3827  ?   ?       ?      ? 
1 1 1  -11   38   11 o   28.801   1.7507  807.166   97.878  807.166   97.878   0.0000   0.0000   28.801   1.7507  ?   ?       ?      ? 
1 1 1  -11   38   12 o  128.301   2.2752 16054.27  566.657 16054.27  566.657   0.0000   0.0000  128.301   2.2752  ?   ?       ?      ? 
1 1 1  -11   38   13 o   45.064   1.5235  1975.28  133.273  1975.28  133.273   0.0000   0.0000   45.064   1.5235  ?   ?       ?      ? 
1 1 1  -11   38   14 o   73.131   1.5617  5204.85  221.693  5204.85  221.693   0.0000   0.0000   73.131   1.5617  ?   ?       ?      ? 
1 1 1  -11   38   15 o   56.535   1.3828  3108.81  151.754  3108.81  151.754   0.0000   0.0000   56.535   1.3828  ?   ?       ?      ? 
1 1 1  -11   38   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   38   17 o   90.569   1.7493  7996.17  307.553  7996.17  307.553   0.0000   0.0000   90.569   1.7493  ?   ?       ?      ? 
1 1 1  -11   38   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   38   19 o   29.898   1.2201  902.231   46.538  835.073  129.737  912.148   49.856   29.164   2.2916   30.632   0.8384 -1.467951 2.440204 
1 1 1  -11   38   20 o   55.137   0.8919  2914.61   90.506  3114.97  157.353  2815.55  110.638   56.495   1.4348   53.779   1.0598 2.716591 1.783793 
1 1 1  -11   38   21 o   43.654   0.9903  1892.19   73.573  1796.31  142.336  1927.15   85.946   42.819   1.7124   44.489   0.9952 -1.670040 1.980628 
1 1 1  -11   38   22 o   19.451   2.0542  426.941   51.069  328.258  128.826  445.341   55.627   17.558   3.8827   21.343   1.3426 -3.784750 4.108328 
1 1 1  -11   38   23 o   22.340   1.2725  445.841   48.505  594.671  100.586  400.746   55.368   24.466   2.1179   20.214   1.4110 4.251633 2.544937 
1 1 1  -11   38   24 o   10.816   2.8674  123.586   61.182   0.0000   0.0000  123.586   61.182  ?   ?    10.816   2.8674      ?      ? 
1 1 1  -11   38   25 o   20.354   1.6652  410.270   65.794   0.0000   0.0000  410.270   65.794  ?   ?    20.354   1.6652      ?      ? 
1 1 1  -11   38   26 o   15.703   2.3511  250.954   71.666   0.0000   0.0000  250.954   71.666  ?   ?    15.703   2.3511      ?      ? 
1 1 1  -11   38   27 o   6.5519   2.2444 -103.8083   68.305 -125.3778  149.645 -98.1319   76.768   7.7793   3.6893   5.3245   2.5570 2.454826 4.488759 
1 1 1  -11   39    1 o   8.4419   2.2763   50.868   50.179   72.643   57.495 -18.7295  102.789   8.8253   2.9008   8.0585   3.5087 0.7667875 4.552580 
1 1 1  -11   39    2 o   48.459   0.8393  2281.85   69.679  2282.37   81.279  2280.39  135.336   48.481   0.8637   48.438   1.4393 0.4245758E-01 1.678574 
1 1 1  -11   39    3 o   84.036   0.9588  6819.56  146.952  6738.12  178.852  6988.77  257.807   83.286   1.1063   84.787   1.5664 -1.500076 1.917658 
1 1 1  -11   39    4 o   33.156   0.9299  1056.24   38.187  1052.69   40.561  1083.94  113.290   32.929   0.6346   33.384   1.7482 -0.4552040 1.859804 
1 1 1  -11   39    5 o   61.464   0.8261  3655.97   75.754  3648.04   83.620  3692.23  178.902   61.297   0.7028   61.630   1.4954 -0.3332558 1.652296 
1 1 1  -11   39    6 o   84.673   0.9388  7030.23  129.165  7083.35  147.155  6851.95  269.584   85.405   0.8876   83.940   1.6545 1.464096 1.877532 
1 1 1  -11   39    7 o   76.358   0.8326  5661.87  123.407  5661.87  123.407   0.0000   0.0000   76.358   0.8326  ?   ?       ?      ? 
1 1 1  -11   39    8 o   24.552   2.2303  587.262  106.296  587.262  106.296   0.0000   0.0000   24.552   2.2303  ?   ?       ?      ? 
1 1 1  -11   39    9 o   51.321   1.4427  2560.62  143.730  2560.62  143.730   0.0000   0.0000   51.321   1.4427  ?   ?       ?      ? 
1 1 1  -11   39   10 o  121.546   2.1765 14397.59  513.537 14397.59  513.537   0.0000   0.0000  121.546   2.1765  ?   ?       ?      ? 
1 1 1  -11   39   11 o   53.705   1.4919  2805.25  155.535  2805.25  155.535   0.0000   0.0000   53.705   1.4919  ?   ?       ?      ? 
1 1 1  -11   39   12 o   25.164   2.3230  617.670  113.475  617.670  113.475   0.0000   0.0000   25.164   2.3230  ?   ?       ?      ? 
1 1 1  -11   39   13 o   47.928   1.4748  2234.81  137.207  2234.81  137.207   0.0000   0.0000   47.928   1.4748  ?   ?       ?      ? 
1 1 1  -11   39   14 o   43.174   1.3200  1812.67  110.623  1812.67  110.623   0.0000   0.0000   43.174   1.3200  ?   ?       ?      ? 
1 1 1  -11   39   15 o   10.701   4.0526   82.352  115.600   82.352  115.600   0.0000   0.0000   10.701   4.0526  ?   ?       ?      ? 
1 1 1  -11   39   16 o   15.183   3.6377  236.683  105.809  236.683  105.809   0.0000   0.0000   15.183   3.6377  ?   ?       ?      ? 
1 1 1  -11   39   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   39   18 o   29.571   1.7128  853.884   98.316  853.884   98.316   0.0000   0.0000   29.571   1.7128  ?   ?       ?      ? 
1 1 1  -11   39   19 o   84.276   1.1514  6900.08  186.272  7187.85  288.062  6693.28  244.197   85.742   1.7307   82.809   1.5191 2.933167 2.302858 
1 1 1  -11   39   20 o   42.248   1.0713  1757.57   69.080  1722.85  156.968  1765.91   76.930   41.898   1.9300   42.599   0.9303 -0.7016411 2.142512 
1 1 1  -11   39   21 o   15.810   2.2339  242.440   43.172  273.346  132.356  238.761   45.669   15.998   4.2063   15.622   1.5060 0.3759422 4.467761 
1 1 1  -11   39   22 o   79.210   1.1024  6158.16  167.722  6165.06  256.406  6153.01  221.743   79.184   1.6681   79.236   1.4417 -0.5179596E-01 2.204765 
1 1 1  -11   39   23 o   26.704   1.2204  683.611   53.786  744.375  112.469  665.593   61.244   27.333   2.1197   26.075   1.2100 1.258783 2.440733 
1 1 1  -11   39   24 o   17.890   1.8246  317.326   63.363   0.0000   0.0000  317.326   63.363  ?   ?    17.890   1.8246      ?      ? 
1 1 1  -11   39   25 o   38.933   1.1674  1487.25   88.228   0.0000   0.0000  1487.25   88.228  ?   ?    38.933   1.1674      ?      ? 
1 1 1  -11   39   26 o   9.9094   3.1826  104.223   69.422   0.0000   0.0000  104.223   69.422  ?   ?    9.9094   3.1826      ?      ? 
1 1 1  -11   39   27 o   7.4824   3.1658   20.514   79.330   0.0000   0.0000   20.514   79.330  ?   ?    7.4824   3.1658      ?      ? 
1 1 1  -11   40    1 o   53.003   0.8609  2695.26   78.621  2656.08   91.684  2804.10  152.828   52.297   0.9031   53.709   1.4659 -1.411873 1.721737 
1 1 1  -11   40    2 o   8.6177   2.1576   64.261   47.369   96.096   53.672 -47.9048  100.746   9.7844   2.7250   7.4510   3.3460 2.333390 4.315217 
1 1 1  -11   40    3 o   42.332   0.9006  1794.79   63.686  1849.95   73.915  1635.83  125.475   43.646   0.8724   41.017   1.5759 2.628761 1.801260 
1 1 1  -11   40    4 o   31.651   0.9656  897.038   36.927  877.318   38.918  1075.12  116.950   30.060   0.6669   33.243   1.8123 -3.182520 1.931158 
1 1 1  -11   40    5 o   57.050   0.7911  3173.44   68.391  3180.42   75.921  3143.37  157.513   57.233   0.6834   56.866   1.4269 0.3670692 1.582104 
1 1 1  -11   40    6 o  102.332   1.0949 10109.75  181.729 10050.93  206.194 10314.45  384.640  101.720   1.0442  102.944   1.9248 -1.223679 2.189831 
1 1 1  -11   40    7 o   66.871   0.7370  4342.10   95.674  4342.10   95.674   0.0000   0.0000   66.871   0.7370  ?   ?       ?      ? 
1 1 1  -11   40    8 o   41.746   1.4630  1694.44  118.555  1694.44  118.555   0.0000   0.0000   41.746   1.4630  ?   ?       ?      ? 
1 1 1  -11   40    9 o   20.952   2.5392  428.519  103.271  428.519  103.271   0.0000   0.0000   20.952   2.5392  ?   ?       ?      ? 
1 1 1  -11   40   10 f   70.972   1.5296  4899.54  210.726  4899.54  210.726   0.0000   0.0000   70.972   1.5296  ?   ?       ?      ? 
1 1 1  -11   40   11 o   58.477   1.4988  3325.97  170.135  3325.97  170.135   0.0000   0.0000   58.477   1.4988  ?   ?       ?      ? 
1 1 1  -11   40   12 o   27.501   2.0120  737.272  107.407  737.272  107.407   0.0000   0.0000   27.501   2.0120  ?   ?       ?      ? 
1 1 1  -11   40   13 o   24.164   1.7954  568.768   84.219  568.768   84.219   0.0000   0.0000   24.164   1.7954  ?   ?       ?      ? 
1 1 1  -11   40   14 o   84.604   1.6723  6970.20  274.643  6970.20  274.643   0.0000   0.0000   84.604   1.6723  ?   ?       ?      ? 
1 1 1  -11   40   15 o   93.608   1.7836  8540.10  324.106  8540.10  324.106   0.0000   0.0000   93.608   1.7836  ?   ?       ?      ? 
1 1 1  -11   40   16 o   24.532   2.1082  588.117  100.393  588.117  100.393   0.0000   0.0000   24.532   2.1082  ?   ?       ?      ? 
1 1 1  -11   40   17 o   44.708   1.6186  1950.01  140.471  1950.01  140.471   0.0000   0.0000   44.708   1.6186  ?   ?       ?      ? 
1 1 1  -11   40   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   40   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   40   20 o   31.901   1.0997  911.818   48.665  1120.22  131.547  878.775   52.381   33.752   2.0078   30.050   0.8980 3.701387 2.199446 
1 1 1  -11   40   21 o   51.173   1.0057  2535.94   87.631  2618.36  172.996  2507.49  101.636   51.628   1.7262   50.718   1.0323 0.9099159 2.011306 
1 1 1  -11   40   22 o   11.401   2.3215  145.388   45.389   51.978  134.602  157.372   48.213   10.196   4.2042   12.606   1.9702 -2.410067 4.642923 
1 1 1  -11   40   23 o   33.942   1.2544  1211.20   64.369  1025.07  141.843  1259.47   72.235   31.982   2.2848   35.903   1.0365 -3.921074 2.508882 
1 1 1  -11   40   24 o   23.509   1.5144  552.835   56.220  555.822  122.168  552.032   63.323   23.329   2.6977   23.688   1.3771 -0.3589344 3.028861 
1 1 1  -11   40   25 o   12.700   2.7260  172.006   65.195   0.0000   0.0000  172.006   65.195  ?   ?    12.700   2.7260      ?      ? 
1 1 1  -11   40   26 o   9.1635   3.1735   85.243   68.819   0.0000   0.0000   85.243   68.819  ?   ?    9.1635   3.1735      ?      ? 
1 1 1  -11   40   27 o   16.645   2.5032  289.387   80.880   0.0000   0.0000  289.387   80.880  ?   ?    16.645   2.5032      ?      ? 
1 1 1  -11   41    1 o   42.150   4.0901  2333.53   86.815  2360.93   87.953  1294.54  541.620   49.304   0.9190   34.995   8.1284 14.30881 8.180220 
1 1 1  -11   41    2 o   40.814   0.9554  1596.67   63.817  1577.83   72.575  1660.88  134.005   40.306   0.9276   41.323   1.6706 -1.016674 1.910820 
1 1 1  -11   41    3 o   86.946   1.0252  7362.46  160.588  7385.12  194.033  7313.21  286.117   87.185   1.1465   86.707   1.6999 0.4777985 2.050382 
1 1 1  -11   41    4 o   29.918   0.9531  815.021   36.352  798.217   38.632  944.887  107.398   28.672   0.6941   31.163   1.7754 -2.490957 1.906239 
1 1 1  -11   41    5 f   94.586   1.0331  8621.39  157.901  8560.45  178.836  8836.92  336.329   93.878   0.9813   95.294   1.8182 -1.415642 2.066104 
1 1 1  -11   41    6 o  100.450   1.0685  9778.97  176.303  9750.41  201.260  9873.20  365.530  100.185   1.0349  100.714   1.8697 -0.5287933 2.136980 
1 1 1  -11   41    7 o   67.130   0.7372  4375.93   96.059  4375.93   96.059   0.0000   0.0000   67.130   0.7372  ?   ?       ?      ? 
1 1 1  -11   41    8 o   74.971   1.4960  5466.60  217.720  5466.60  217.720   0.0000   0.0000   74.971   1.4960  ?   ?       ?      ? 
1 1 1  -11   41    9 o   13.515   3.5510  185.833   94.372  185.833   94.372   0.0000   0.0000   13.515   3.5510  ?   ?       ?      ? 
1 1 1  -11   41   10 o   77.486   1.5674  5841.12  235.754  5841.12  235.754   0.0000   0.0000   77.486   1.5674  ?   ?       ?      ? 
1 1 1  -11   41   11 o   58.086   1.3881  3281.71  156.515  3281.71  156.515   0.0000   0.0000   58.086   1.3881  ?   ?       ?      ? 
1 1 1  -11   41   12 o   62.745   1.4056  3829.56  171.198  3829.56  171.198   0.0000   0.0000   62.745   1.4056  ?   ?       ?      ? 
1 1 1  -11   41   13 o  104.087   1.9162 10560.33  387.173 10560.33  387.173   0.0000   0.0000  104.087   1.9162  ?   ?       ?      ? 
1 1 1  -11   41   14 o   29.403   2.1067  843.901  120.246  843.901  120.246   0.0000   0.0000   29.403   2.1067  ?   ?       ?      ? 
1 1 1  -11   41   15 o   42.364   1.5091  1747.78  124.101  1747.78  124.101   0.0000   0.0000   42.364   1.5091  ?   ?       ?      ? 
1 1 1  -11   41   16 o   67.172   1.5669  4399.18  204.310  4399.18  204.310   0.0000   0.0000   67.172   1.5669  ?   ?       ?      ? 
1 1 1  -11   41   17 f   51.282   1.3663  2562.83  136.010  2562.83  136.010   0.0000   0.0000   51.282   1.3663  ?   ?       ?      ? 
1 1 1  -11   41   18 o   53.346   1.4887  2777.79  154.156  2777.79  154.156   0.0000   0.0000   53.346   1.4887  ?   ?       ?      ? 
1 1 1  -11   41   19 o   23.049   0.7797  516.577   34.885   0.0000   0.0000  516.577   34.885  ?   ?    23.049   0.7797      ?      ? 
1 1 1  -11   41   20 o   37.340   1.0614  1297.39   56.247  1464.83  145.006  1267.73   61.025   38.588   1.9358   36.091   0.8710 2.496883 2.122774 
1 1 1  -11   41   21 o   8.4713   2.3458   41.057   41.389   77.240  111.943   35.328   44.545   10.187   3.9545   6.7552   2.5247 3.432108 4.691695 
1 1 1  -11   41   22 o   43.184   0.9033  1827.33   69.140  1827.81  126.886  1827.13   82.456   43.104   1.5165   43.265   0.9818 -0.1606140 1.806532 
1 1 1  -11   41   23 o   51.949   0.9280  2656.40   89.308  2620.65  150.143  2675.97  111.100   51.591   1.4992   52.307   1.0942 -0.7159958 1.856042 
1 1 1  -11   41   24 o   10.055   2.4333  105.048   54.377   59.562  112.987  118.759   62.033   9.5693   3.8877   10.540   2.9274 -0.9711180 4.866620 
1 1 1  -11   41   25 o   11.112   2.9407  133.928   64.421   0.0000   0.0000  133.928   64.421  ?   ?    11.112   2.9407      ?      ? 
1 1 1  -11   41   26 o   16.332   2.2071  272.718   69.970   0.0000   0.0000  272.718   69.970  ?   ?    16.332   2.2071      ?      ? 
1 1 1  -11   42    1 o   24.524   1.5122  632.946   57.263  668.365   64.925  508.897  121.505   26.223   1.2754   22.825   2.7423 3.398314 3.024395 
1 1 1  -11   42    2 o   98.031   1.1115  9287.45  196.244  9189.31  236.259  9505.84  352.437   97.238   1.2517   98.823   1.8372 -1.585091 2.223055 
1 1 1  -11   42    3 o   44.483   0.8650  1883.20   53.110  1866.79   57.435  1980.02  139.507   43.848   0.6748   45.118   1.5929 -1.270229 1.729913 
1 1 1  -11   42    4 o   20.427   1.5894  383.650   35.183  379.121   36.687  435.514  124.151   19.756   0.9566   21.098   3.0314 -1.342339 3.178726 
1 1 1  -11   42    5 o   90.563   0.9910  7962.10  146.374  7951.55  166.646  7997.70  306.207   90.476   0.9489   90.651   1.7401 -0.1751709 1.982001 
1 1 1  -11   42    6 o   87.045   0.9765  7402.60  138.001  7432.23  157.026  7302.07  289.237   87.472   0.9248   86.618   1.7202 0.8539658 1.953029 
1 1 1  -11   42    7 o   87.903   0.9262  7505.69  158.047  7505.69  158.047   0.0000   0.0000   87.903   0.9262  ?   ?       ?      ? 
1 1 1  -11   42    8 o   87.674   1.6458  7479.40  280.105  7479.40  280.105   0.0000   0.0000   87.674   1.6458  ?   ?       ?      ? 
1 1 1  -11   42    9 o   54.804   1.3636  2920.54  145.062  2920.54  145.062   0.0000   0.0000   54.804   1.3636  ?   ?       ?      ? 
1 1 1  -11   42   10 o   17.243   2.7989  291.114   93.684  291.114   93.684   0.0000   0.0000   17.243   2.7989  ?   ?       ?      ? 
1 1 1  -11   42   11 o   69.391   1.4942  4685.17  201.276  4685.17  201.276   0.0000   0.0000   69.391   1.4942  ?   ?       ?      ? 
1 1 1  -11   42   12 o   32.727   1.9158  1044.02  121.713  1044.02  121.713   0.0000   0.0000   32.727   1.9158  ?   ?       ?      ? 
1 1 1  -11   42   13 o   17.343   3.5523  307.077  115.567  307.077  115.567   0.0000   0.0000   17.343   3.5523  ?   ?       ?      ? 
1 1 1  -11   42   14 o  116.494   2.0929 13254.63  473.292 13254.63  473.292   0.0000   0.0000  116.494   2.0929  ?   ?       ?      ? 
1 1 1  -11   42   15 o   21.971   2.8789  475.359  122.782  475.359  122.782   0.0000   0.0000   21.971   2.8789  ?   ?       ?      ? 
1 1 1  -11   42   16 o   38.466   1.5654  1443.53  116.892  1443.53  116.892   0.0000   0.0000   38.466   1.5654  ?   ?       ?      ? 
1 1 1  -11   42   17 o   35.369   1.8130  1223.84  124.478  1223.84  124.478   0.0000   0.0000   35.369   1.8130  ?   ?       ?      ? 
1 1 1  -11   42   18 o   34.948   1.5688  1193.98  106.426  1193.98  106.426   0.0000   0.0000   34.948   1.5688  ?   ?       ?      ? 
1 1 1  -11   42   19 o   34.254   0.9597  1045.56   44.875  1292.89  123.917  1008.23   48.142   36.309   1.7581   32.198   0.7702 4.111294 1.919440 
1 1 1  -11   42   20 o   34.596   0.8531  1165.29   57.291   0.0000   0.0000  1165.29   57.291  ?   ?    34.596   0.8531      ?      ? 
1 1 1  -11   42   21 o   21.236   1.7129  416.803   43.371  497.709  138.049  407.943   45.684   22.042   3.2263   20.429   1.1520 1.613136 3.425833 
1 1 1  -11   42   22 o   25.349   1.4962  582.590   49.888  725.700  143.416  562.890   53.211   26.714   2.7656   23.985   1.1429 2.729704 2.992442 
1 1 1  -11   42   23 o   21.559   2.0091  527.138   52.257  420.393  140.032  544.409   56.327   19.561   3.8248   23.556   1.2318 -3.994719 4.018261 
1 1 1  -11   42   24 o   11.862   2.7167  100.853   51.803  265.084  148.292   78.027   55.286   14.985   4.6302   8.7390   2.8432 6.245671 5.433476 
1 1 1  -11   42   25 o   38.001   1.1833  1421.00   87.287   0.0000   0.0000  1421.00   87.287  ?   ?    38.001   1.1833      ?      ? 
1 1 1  -11   42   26 o   10.714   3.1377  128.143   69.444   0.0000   0.0000  128.143   69.444  ?   ?    10.714   3.1377      ?      ? 
1 1 1  -11   43    1 o   61.868   0.8864  3791.18   98.167  3910.83  118.892  3534.87  174.014   63.449   0.9653   60.286   1.4870 3.162891 1.772811 
1 1 1  -11   43    2 o   71.429   0.9443  4897.93  117.915  4818.97  138.697  5103.79  223.955   70.429   1.0145   72.429   1.5929 -2.000381 1.888507 
1 1 1  -11   43    3 o   55.730   0.8452  2965.27   69.867  2936.60   76.860  3101.66  167.648   54.992   0.7200   56.468   1.5294 -1.476192 1.690436 
1 1 1  -11   43    4 o   32.744   1.0047  1089.44   42.230  1105.92   45.327  981.099  116.233   33.748   0.6919   31.741   1.8864 2.007019 2.009334 
1 1 1  -11   43    5 o   58.692   0.8617  3289.12   73.203  3260.24   80.032  3437.01  181.102   57.944   0.7115   59.440   1.5696 -1.496502 1.723315 
1 1 1  -11   43    6 o   10.649   2.0723  136.388   32.389  147.267   33.516 -17.3587  125.997   12.307   1.4030   8.9919   3.8999 3.314713 4.144534 
1 1 1  -11   43    7 o   25.671   0.6680  639.880   33.289  639.880   33.289   0.0000   0.0000   25.671   0.6680  ?   ?       ?      ? 
1 1 1  -11   43    8 o   56.167   0.8718  3064.47   95.051  3064.47   95.051   0.0000   0.0000   56.167   0.8718  ?   ?       ?      ? 
1 1 1  -11   43    9 o   56.448   1.4339  3099.85  157.125  3099.85  157.125   0.0000   0.0000   56.448   1.4339  ?   ?       ?      ? 
1 1 1  -11   43   10 o   72.572   1.5420  5125.37  217.224  5125.37  217.224   0.0000   0.0000   72.572   1.5420  ?   ?       ?      ? 
1 1 1  -11   43   11 o   39.558   1.7541  1524.38  134.695  1524.38  134.695   0.0000   0.0000   39.558   1.7541  ?   ?       ?      ? 
1 1 1  -11   43   12 o   43.320   1.6569  1827.85  139.332  1827.85  139.332   0.0000   0.0000   43.320   1.6569  ?   ?       ?      ? 
1 1 1  -11   43   13 o   58.585   1.3878  3340.41  157.832  3340.41  157.832   0.0000   0.0000   58.585   1.3878  ?   ?       ?      ? 
1 1 1  -11   43   14 o   22.488   2.5807  496.444  112.656  496.444  112.656   0.0000   0.0000   22.488   2.5807  ?   ?       ?      ? 
1 1 1  -11   43   15 o   80.663   1.6365  6349.96  256.247  6349.96  256.247   0.0000   0.0000   80.663   1.6365  ?   ?       ?      ? 
1 1 1  -11   43   16 o   38.954   1.6779  1482.44  126.875  1482.44  126.875   0.0000   0.0000   38.954   1.6779  ?   ?       ?      ? 
1 1 1  -11   43   17 o   28.651   1.9560  805.201  108.787  805.201  108.787   0.0000   0.0000   28.651   1.9560  ?   ?       ?      ? 
1 1 1  -11   43   18 o   31.443   1.9627  971.452  119.799  971.452  119.799   0.0000   0.0000   31.443   1.9627  ?   ?       ?      ? 
1 1 1  -11   43   19 o   41.385   1.5783  1678.16  126.795  1678.16  126.795   0.0000   0.0000   41.385   1.5783  ?   ?       ?      ? 
1 1 1  -11   43   20 o   10.668   1.9658  126.816   32.809   77.104   91.356  134.177   35.155   9.6468   3.6135   11.689   1.5493 -2.041991 3.931667 
1 1 1  -11   43   21 f   8.3675   2.4705   71.760   42.896   0.0000   0.0000   71.760   42.896  ?   ?    8.3675   2.4705      ?      ? 
1 1 1  -11   43   22 o   26.152   1.3996  700.499   51.494  650.893  127.165  710.229   56.318   25.354   2.5838   26.950   1.0765 -1.596243 2.799119 
1 1 1  -11   43   23 o   13.703   2.3134  223.002   48.136  151.394  126.134  235.208   52.078   12.021   4.2855   15.384   1.7439 -3.363063 4.626716 
1 1 1  -11   43   24 o   25.155   1.5772  624.349   57.953  669.476  141.071  615.187   63.564   25.330   2.8691   24.981   1.3108 0.3487930 3.154328 
1 1 1  -11   43   25 o   14.420   2.6249  222.068   70.771   0.0000   0.0000  222.068   70.771  ?   ?    14.420   2.6249      ?      ? 
1 1 1  -11   44    1 o   14.101   2.3468  202.393   55.624  207.593   62.944  183.854  118.844   14.590   2.2224   13.611   4.1340 0.9792633 4.693508 
1 1 1  -11   44    2 o   50.766   0.8705  2473.67   76.952  2435.21   90.294  2575.75  147.093   50.069   0.9290   51.462   1.4724 -1.392673 1.741024 
1 1 1  -11   44    3 o   46.671   0.8868  2142.88   59.620  2155.67   65.344  2079.32  145.667   47.116   0.7145   46.227   1.6233 0.8889122 1.773575 
1 1 1  -11   44    4 o   80.010   0.9457  6149.82  118.390  6099.36  132.450  6350.35  264.044   79.244   0.8610   80.775   1.6840 -1.531204 1.891323 
1 1 1  -11   44    5 o   59.779   0.8608  3530.08   75.986  3561.29   83.879  3387.28  179.438   60.558   0.7135   59.001   1.5667 1.557167 1.721547 
1 1 1  -11   44    6 o  109.229   1.1437 11690.86  208.591 11766.63  240.496 11460.78  419.094  110.029   1.1260  108.429   1.9911 1.599396 2.287454 
1 1 1  -11   44    7 o  110.007   1.1305 11762.60  241.400 11762.60  241.400   0.0000   0.0000  110.007   1.1305  ?   ?       ?      ? 
1 1 1  -11   44    8 o   20.571   0.6855  410.932   27.372  410.932   27.372   0.0000   0.0000   20.571   0.6855  ?   ?       ?      ? 
1 1 1  -11   44    9 o   13.620   3.9436  187.122  110.253  187.122  110.253   0.0000   0.0000   13.620   3.9436  ?   ?       ?      ? 
1 1 1  -11   44   10 o   25.391   2.3277  629.863  114.732  629.863  114.732   0.0000   0.0000   25.391   2.3277  ?   ?       ?      ? 
1 1 1  -11   44   11 o   75.814   1.5852  5596.88  233.293  5596.88  233.293   0.0000   0.0000   75.814   1.5852  ?   ?       ?      ? 
1 1 1  -11   44   12 o   60.882   1.4220  3608.01  168.055  3608.01  168.055   0.0000   0.0000   60.882   1.4220  ?   ?       ?      ? 
1 1 1  -11   44   13 o   60.153   1.4735  3524.93  172.055  3524.93  172.055   0.0000   0.0000   60.153   1.4735  ?   ?       ?      ? 
1 1 1  -11   44   14 f   29.378   2.0994  845.143  119.723  845.143  119.723   0.0000   0.0000   29.378   2.0994  ?   ?       ?      ? 
1 1 1  -11   44   15 o   45.533   1.4846  2022.36  131.223  2022.36  131.223   0.0000   0.0000   45.533   1.4846  ?   ?       ?      ? 
1 1 1  -11   44   16 o   29.855   2.0817  875.069  120.641  875.069  120.641   0.0000   0.0000   29.855   2.0817  ?   ?       ?      ? 
1 1 1  -11   44   17 o   9.1810   3.6395   49.941   96.526   49.941   96.526   0.0000   0.0000   9.1810   3.6395  ?   ?       ?      ? 
1 1 1  -11   44   18 o   44.892   1.4119  1969.96  123.035  1969.96  123.035   0.0000   0.0000   44.892   1.4119  ?   ?       ?      ? 
1 1 1  -11   44   19 o   21.935   2.6236  481.591  111.713  481.591  111.713   0.0000   0.0000   21.935   2.6236  ?   ?       ?      ? 
1 1 1  -11   44   20 o   12.627   2.1109  104.105   31.332  272.108  115.179   90.680   32.560   15.833   3.7966   9.4216   1.8463 6.411245 4.221766 
1 1 1  -11   44   21 o   9.4702   2.4405   57.421   38.418  135.777  123.221   48.984   40.433   11.750   4.2307   7.1900   2.4341 4.560391 4.881004 
1 1 1  -11   44   22 o   16.073   2.2408  243.071   45.419  318.398  135.646  233.559   48.202   16.779   4.1801   15.368   1.6158 1.410865 4.481526 
1 1 1  -11   44   23 o   10.970   2.1492  155.529   48.195 -51.8960  138.566  184.074   51.404   8.3874   3.8287   13.552   1.9540 -5.164564 4.298486 
1 1 1  -11   44   24 o   14.969   1.9899  225.949   57.820   0.0000   0.0000  225.949   57.820  ?   ?    14.969   1.9899      ?      ? 
1 1 1  -11   44   25 o   20.172   1.7393  409.132   68.106   0.0000   0.0000  409.132   68.106  ?   ?    20.172   1.7393      ?      ? 
1 1 1  -11   45    1 o   10.696   2.4247  116.499   56.608  143.055   64.672   29.481  117.067   11.852   2.8467   9.5410   3.9258 2.310847 4.849338 
1 1 1  -11   45    2 o   16.572   2.2617  304.709   54.372  322.181   60.220  227.630  126.483   18.190   1.7055   14.954   4.1897 3.235220 4.523485 
1 1 1  -11   45    3 o   26.187   1.3288  706.568   43.255  718.998   46.228  619.152  122.591   27.206   0.8753   25.168   2.5093 2.037903 2.657571 
1 1 1  -11   45    4 o   72.730   0.8633  5224.33  102.469  5295.73  117.145  4991.74  211.438   73.838   0.8173   71.621   1.5208 2.217194 1.726513 
1 1 1  -11   45    5 o   90.952   1.0169  8118.96  150.221  8178.94  171.112  7917.31  313.729   91.750   0.9607   90.155   1.7927 1.595322 2.033890 
1 1 1  -11   45    6 f   5.4638   2.1851   14.076   35.087   14.076   35.087   0.0000   0.0000   5.4638   2.1851  ?   ?       ?      ? 
1 1 1  -11   45    7 o   37.404   0.6490  1358.53   47.123  1358.53   47.123   0.0000   0.0000   37.404   0.6490  ?   ?       ?      ? 
1 1 1  -11   45    8 o   47.169   0.6866  2160.70   62.865  2160.70   62.865   0.0000   0.0000   47.169   0.6866  ?   ?       ?      ? 
1 1 1  -11   45    9 o   28.347   2.0401  783.989  112.259  783.989  112.259   0.0000   0.0000   28.347   2.0401  ?   ?       ?      ? 
1 1 1  -11   45   10 o   12.785   3.7662  164.354   99.786  164.354   99.786   0.0000   0.0000   12.785   3.7662  ?   ?       ?      ? 
1 1 1  -11   45   11 f   19.319   2.7277  366.228  102.292  366.228  102.292   0.0000   0.0000   19.319   2.7277  ?   ?       ?      ? 
1 1 1  -11   45   12 o   71.458   1.5430  4976.50  214.035  4976.50  214.035   0.0000   0.0000   71.458   1.5430  ?   ?       ?      ? 
1 1 1  -11   45   13 o   70.884   1.5700  4901.06  216.030  4901.06  216.030   0.0000   0.0000   70.884   1.5700  ?   ?       ?      ? 
1 1 1  -11   45   14 o   61.011   1.4224  3629.28  168.457  3629.28  168.457   0.0000   0.0000   61.011   1.4224  ?   ?       ?      ? 
1 1 1  -11   45   15 o   28.176   2.2014  780.194  120.406  780.194  120.406   0.0000   0.0000   28.176   2.2014  ?   ?       ?      ? 
1 1 1  -11   45   16 o   26.255   2.0836  677.810  106.189  677.810  106.189   0.0000   0.0000   26.255   2.0836  ?   ?       ?      ? 
1 1 1  -11   45   17 o   23.233   2.6407  536.362  119.095  536.362  119.095   0.0000   0.0000   23.233   2.6407  ?   ?       ?      ? 
1 1 1  -11   45   18 o   33.429   1.7521  1098.61  113.695  1098.61  113.695   0.0000   0.0000   33.429   1.7521  ?   ?       ?      ? 
1 1 1  -11   45   19 o   22.805   1.9059  514.278   84.374  514.278   84.374   0.0000   0.0000   22.805   1.9059  ?   ?       ?      ? 
1 1 1  -11   45   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   45   21 f   11.557   2.2967   85.900   36.513  249.075  117.064   68.315   38.431   14.977   3.9645   8.1363   2.3200 6.840774 4.593385 
1 1 1  -11   45   22 o   17.327   2.3051  420.700   46.980  194.880  135.145  451.739   50.104   13.204   4.4503   21.450   1.2033 -8.245355 4.610101 
1 1 1  -11   45   23 o   9.0120   2.6161   33.758   47.937  125.953  148.339   23.007   50.655   11.556   4.5336   6.4684   2.6118 5.087194 5.232106 
1 1 1  -11   45   24 o   27.773   1.2333  760.941   66.490   0.0000   0.0000  760.941   66.490  ?   ?    27.773   1.2333      ?      ? 
1 1 1  -11   46    1 o   48.697   0.9083  2218.09   77.704  2108.44   91.033  2512.44  149.154   46.582   1.0067   50.813   1.5122 -4.230972 1.816630 
1 1 1  -11   46    2 o   75.249   0.8971  5535.55  109.050  5559.75  123.844  5452.03  230.081   75.655   0.8433   74.843   1.5837 0.8117676 1.794188 
1 1 1  -11   46    3 o   44.629   0.9345  1956.56   58.236  1965.31   63.344  1908.75  148.030   44.985   0.7254   44.272   1.7225 0.7127190 1.868975 
1 1 1  -11   46    4 o   6.6834   2.1464  -5.3784   39.896   4.9322   41.980 -101.5885  128.235   5.5516   2.3233   7.8153   3.6097 -2.263631 4.292709 
1 1 1  -11   46    5 o   48.545   0.9060  2292.11   59.331  2292.30   64.003  2290.93  158.186   48.585   0.6786   48.504   1.6801 0.8085251E-01 1.811942 
1 1 1  -11   46    6 o   71.426   0.8019  4955.47  111.186  4955.47  111.186   0.0000   0.0000   71.426   0.8019  ?   ?       ?      ? 
1 1 1  -11   46    7 o   61.379   0.7178  3658.89   85.526  3658.89   85.526   0.0000   0.0000   61.379   0.7178  ?   ?       ?      ? 
1 1 1  -11   46    8 o   35.855   0.5998  1248.38   41.750  1248.38   41.750   0.0000   0.0000   35.855   0.5998  ?   ?       ?      ? 
1 1 1  -11   46    9 o   38.795   0.5636  1461.42   42.444  1461.42   42.444   0.0000   0.0000   38.795   0.5636  ?   ?       ?      ? 
1 1 1  -11   46   10 o   25.262   1.9654  623.123   96.383  623.123   96.383   0.0000   0.0000   25.262   1.9654  ?   ?       ?      ? 
1 1 1  -11   46   11 o  105.352   1.9560 10846.46  400.022 10846.46  400.022   0.0000   0.0000  105.352   1.9560  ?   ?       ?      ? 
1 1 1  -11   46   12 o   56.572   1.5565  3121.63  170.933  3121.63  170.933   0.0000   0.0000   56.572   1.5565  ?   ?       ?      ? 
1 1 1  -11   46   13 o   19.065   2.6204  358.221   96.976  358.221   96.976   0.0000   0.0000   19.065   2.6204  ?   ?       ?      ? 
1 1 1  -11   46   14 o   39.464   1.6182  1521.74  123.968  1521.74  123.968   0.0000   0.0000   39.464   1.6182  ?   ?       ?      ? 
1 1 1  -11   46   15 o   7.5484   3.3913 -43.4711  103.624 -43.4711  103.624   0.0000   0.0000   7.5484   3.3913  ?   ?       ?      ? 
1 1 1  -11   46   16 o   16.857   3.5055  296.659  110.966  296.659  110.966   0.0000   0.0000   16.857   3.5055  ?   ?       ?      ? 
1 1 1  -11   46   17 o   27.796   1.9499  761.164  105.212  761.164  105.212   0.0000   0.0000   27.796   1.9499  ?   ?       ?      ? 
1 1 1  -11   46   18 o   25.199   2.4062  633.936  117.699  633.936  117.699   0.0000   0.0000   25.199   2.4062  ?   ?       ?      ? 
1 1 1  -11   46   19 o   22.455   2.6576  509.875  115.839  509.875  115.839   0.0000   0.0000   22.455   2.6576  ?   ?       ?      ? 
1 1 1  -11   46   20 o   15.173   1.8488  191.014   28.609  299.556  110.461  183.210   29.619   16.661   3.5254   13.685   1.1149 2.975408 3.697527 
1 1 1  -11   46   21 o   8.2494   2.2392   29.344   35.675  116.896  102.241   17.207   38.068   10.826   3.8584   5.6725   2.2734 5.153971 4.478374 
1 1 1  -11   46   22 o   9.0802   2.3545   54.608   42.633  133.094  106.118   39.502   46.556   11.244   3.9381   6.9167   2.5818 4.326988 4.708958 
1 1 1  -11   46   23 o   18.908   1.4628  354.384   53.689   0.0000   0.0000  354.384   53.689  ?   ?    18.908   1.4628      ?      ? 
1 1 1  -11   46   24 o   8.6070   2.9306   76.521   58.613   0.0000   0.0000   76.521   58.613  ?   ?    8.6070   2.9306      ?      ? 
1 1 1  -11   47    1 f   58.245   0.9513  3337.57   97.174  3389.29  115.452  3211.91  179.959   59.056   1.0071   57.433   1.6142 1.622799 1.902565 
1 1 1  -11   47    2 o   82.683   0.9726  6675.15  128.662  6693.87  145.512  6608.10  275.451   83.005   0.9031   82.362   1.7229 0.6429901 1.945219 
1 1 1  -11   47    3 o   22.608   1.6091  550.324   44.766  567.336   47.962  435.286  124.718   24.161   1.0226   21.056   3.0514 3.105650 3.218168 
1 1 1  -11   47    4 o   52.378   0.8448  2707.77   67.433  2733.13   75.128  2602.65  152.956   53.048   0.7296   51.708   1.5239 1.339962 1.689504 
1 1 1  -11   47    5 o   26.599   1.1793  657.054   41.560  645.770   44.500  734.085  116.271   25.781   0.8892   27.418   2.1846 -1.636543 2.358643 
1 1 1  -11   47    6 o   34.883   0.7030  1181.78   47.603  1181.78   47.603   0.0000   0.0000   34.883   0.7030  ?   ?       ?      ? 
1 1 1  -11   47    7 o   50.091   0.6627  2436.76   64.433  2436.76   64.433   0.0000   0.0000   50.091   0.6627  ?   ?       ?      ? 
1 1 1  -11   47    8 o   17.159   0.9714  286.190   32.356  286.190   32.356   0.0000   0.0000   17.159   0.9714  ?   ?       ?      ? 
1 1 1  -11   47    9 o   28.989   0.5985  816.137   33.679  816.137   33.679   0.0000   0.0000   28.989   0.5985  ?   ?       ?      ? 
1 1 1  -11   47   10 o   98.907   1.8484  9556.33  354.889  9556.33  354.889   0.0000   0.0000   98.907   1.8484  ?   ?       ?      ? 
1 1 1  -11   47   11 o   61.770   1.5131  3721.00  181.429  3721.00  181.429   0.0000   0.0000   61.770   1.5131  ?   ?       ?      ? 
1 1 1  -11   47   12 o   53.513   1.4146  2792.09  146.948  2792.09  146.948   0.0000   0.0000   53.513   1.4146  ?   ?       ?      ? 
1 1 1  -11   47   13 o   45.844   1.4663  2051.19  130.492  2051.19  130.492   0.0000   0.0000   45.844   1.4663  ?   ?       ?      ? 
1 1 1  -11   47   14 o   20.081   2.8419  400.706  110.780  400.706  110.780   0.0000   0.0000   20.081   2.8419  ?   ?       ?      ? 
1 1 1  -11   47   15 o   15.910   3.0990  261.378   92.270  261.378   92.270   0.0000   0.0000   15.910   3.0990  ?   ?       ?      ? 
1 1 1  -11   47   16 o   5.9262   2.9014 -208.4463  112.129 -208.4463  112.129   0.0000   0.0000   5.9262   2.9014  ?   ?       ?      ? 
1 1 1  -11   47   17 o   26.323   2.2576  688.780  115.356  688.780  115.356   0.0000   0.0000   26.323   2.2576  ?   ?       ?      ? 
1 1 1  -11   47   18 o   5.1556   2.5066 -132.1585   79.630 -132.1585   79.630   0.0000   0.0000   5.1556   2.5066  ?   ?       ?      ? 
1 1 1  -11   47   19 o   20.665   2.6921  433.206  107.991  433.206  107.991   0.0000   0.0000   20.665   2.6921  ?   ?       ?      ? 
1 1 1  -11   47   20 o   7.8608   3.5788 -51.6981  120.059 -51.6981  120.059   0.0000   0.0000   7.8608   3.5788  ?   ?       ?      ? 
1 1 1  -11   47   21 o   16.074   2.0890  223.877   36.478  342.477  130.865  213.886   37.984   17.409   3.9615   14.738   1.3277 2.671755 4.178046 
1 1 1  -11   47   22 o   11.782   2.2715  171.552   43.593   55.027  138.179  184.431   45.939   9.9709   4.1962   13.593   1.7410 -3.622177 4.543076 
1 1 1  -11   47   23 o   9.2802   2.6700   92.662   50.683   0.0000   0.0000   92.662   50.683  ?   ?    9.2802   2.6700      ?      ? 
1 1 1  -11   48    1 o   66.970   0.9182  4381.46  111.511  4414.81  135.661  4311.98  195.798   67.393   1.0370   66.548   1.5157 0.8455734 1.836485 
1 1 1  -11   48    2 o   31.322   1.0894  993.712   49.156  1013.79   54.087  898.395  117.835   32.302   0.8626   30.341   2.0007 1.961849 2.178733 
1 1 1  -11   48    3 o   34.524   1.0455  1166.67   50.227  1169.44   54.566  1151.27  128.541   34.696   0.8102   34.352   1.9276 0.3432922 2.090954 
1 1 1  -11   48    4 o   48.921   0.9082  2327.27   64.074  2326.78   70.138  2329.73  157.529   48.943   0.7382   48.898   1.6596 0.4515839E-01 1.816391 
1 1 1  -11   48    5 o   37.735   1.0061  1263.92   48.858  1226.31   51.907  1556.09  144.677   35.531   0.7526   39.939   1.8661 -4.408249 2.012164 
1 1 1  -11   48    6 o   44.324   0.6942  1908.29   59.728  1908.29   59.728   0.0000   0.0000   44.324   0.6942  ?   ?       ?      ? 
1 1 1  -11   48    7 o   48.459   0.6824  2281.01   64.197  2281.01   64.197   0.0000   0.0000   48.459   0.6824  ?   ?       ?      ? 
1 1 1  -11   48    8 o   44.924   0.6558  1960.34   57.185  1960.34   57.185   0.0000   0.0000   44.924   0.6558  ?   ?       ?      ? 
1 1 1  -11   48    9 o   40.855   0.6182  1621.26   49.026  1621.26   49.026   0.0000   0.0000   40.855   0.6182  ?   ?       ?      ? 
1 1 1  -11   48   10 o   36.079   1.7473  1271.72  122.376  1271.72  122.376   0.0000   0.0000   36.079   1.7473  ?   ?       ?      ? 
1 1 1  -11   48   11 o   50.236   1.4398  2461.35  140.410  2461.35  140.410   0.0000   0.0000   50.236   1.4398  ?   ?       ?      ? 
1 1 1  -11   48   12 o   18.238   2.6159  328.638   92.610  328.638   92.610   0.0000   0.0000   18.238   2.6159  ?   ?       ?      ? 
1 1 1  -11   48   13 o   11.435   4.0320  119.759  111.356  119.759  111.356   0.0000   0.0000   11.435   4.0320  ?   ?       ?      ? 
1 1 1  -11   48   14 f   17.719   2.7374  312.211   94.158  312.211   94.158   0.0000   0.0000   17.719   2.7374  ?   ?       ?      ? 
1 1 1  -11   48   15 o   12.040   4.0316  143.504  110.907  143.504  110.907   0.0000   0.0000   12.040   4.0316  ?   ?       ?      ? 
1 1 1  -11   48   16 o   12.060   3.6568  151.950   93.049  151.950   93.049   0.0000   0.0000   12.060   3.6568  ?   ?       ?      ? 
1 1 1  -11   48   17 o   26.061   2.2921  677.909  115.955  677.909  115.955   0.0000   0.0000   26.061   2.2921  ?   ?       ?      ? 
1 1 1  -11   48   18 o   25.524   2.3485  654.042  116.363  654.042  116.363   0.0000   0.0000   25.524   2.3485  ?   ?       ?      ? 
1 1 1  -11   48   19 o   7.3342   3.2557 -20.2014   92.541 -20.2014   92.541   0.0000   0.0000   7.3342   3.2557  ?   ?       ?      ? 
1 1 1  -11   48   20 o   23.617   1.9760  557.982   90.586  557.982   90.586   0.0000   0.0000   23.617   1.9760  ?   ?       ?      ? 
1 1 1  -11   48   21 o   10.114   2.1321   27.360   34.631  262.364  108.373   0.6333   36.547   15.265   3.6966   4.9631   2.1259 10.30215 4.264272 
1 1 1  -11   48   22 o   25.274   1.0754  627.355   52.763   0.0000   0.0000  627.355   52.763  ?   ?    25.274   1.0754      ?      ? 
1 1 1  -11   48   23 o   18.525   1.4479  341.526   52.067   0.0000   0.0000  341.526   52.067  ?   ?    18.525   1.4479      ?      ? 
1 1 1  -11   49    1 o   8.0986   2.2747   43.950   45.458   60.766   48.813 -65.9044  124.762   8.0666   2.6739   8.1306   3.6806 -0.6394482E-01 4.549316 
1 1 1  -11   49    2 o   20.445   1.6602  395.325   43.243  390.855   46.062  428.519  125.531   20.044   1.1838   20.846   3.1022 -0.8017902 3.320402 
1 1 1  -11   49    3 o   30.481   1.1806  940.114   47.223  952.936   50.866  860.086  127.075   31.316   0.8368   29.647   2.2081 1.668289 2.361285 
1 1 1  -11   49    4 o   44.437   0.9015  1892.56   58.366  1877.74   63.936  1966.67  142.976   43.963   0.7492   44.910   1.6400 -0.9466057 1.803063 
1 1 1  -11   49    5 o   38.907   0.9380  1519.00   52.190  1541.62   57.239  1407.51  127.086   39.834   0.7402   37.980   1.7238 1.854633 1.876003 
1 1 1  -11   49    6 o   15.466   1.4208  233.052   42.657  233.052   42.657   0.0000   0.0000   15.466   1.4208  ?   ?       ?      ? 
1 1 1  -11   49    7 o   43.289   0.6939  1820.63   58.306  1820.63   58.306   0.0000   0.0000   43.289   0.6939  ?   ?       ?      ? 
1 1 1  -11   49    8 o   10.382   1.7253  105.269   34.768  105.269   34.768   0.0000   0.0000   10.382   1.7253  ?   ?       ?      ? 
1 1 1  -11   49    9 o   42.045   0.6319  1717.31   51.573  1717.31   51.573   0.0000   0.0000   42.045   0.6319  ?   ?       ?      ? 
1 1 1  -11   49   10 o   45.935   1.3911  2057.75  124.041  2057.75  124.041   0.0000   0.0000   45.935   1.3911  ?   ?       ?      ? 
1 1 1  -11   49   11 o   6.9488   3.1279 -40.5566   88.638 -40.5566   88.638   0.0000   0.0000   6.9488   3.1279  ?   ?       ?      ? 
1 1 1  -11   49   12 o   9.1450   3.7902   28.233  110.196   28.233  110.196   0.0000   0.0000   9.1450   3.7902  ?   ?       ?      ? 
1 1 1  -11   49   13 o   29.328   1.9058  844.813  108.499  844.813  108.499   0.0000   0.0000   29.328   1.9058  ?   ?       ?      ? 
1 1 1  -11   49   14 o   6.8054   3.1865 -97.5247  105.401 -97.5247  105.401   0.0000   0.0000   6.8054   3.1865  ?   ?       ?      ? 
1 1 1  -11   49   15 o   20.835   2.4811  433.050  100.345  433.050  100.345   0.0000   0.0000   20.835   2.4811  ?   ?       ?      ? 
1 1 1  -11   49   16 o   20.586   2.7252  427.453  108.904  427.453  108.904   0.0000   0.0000   20.586   2.7252  ?   ?       ?      ? 
1 1 1  -11   49   17 o   18.983   2.4999  363.222   92.120  363.222   92.120   0.0000   0.0000   18.983   2.4999  ?   ?       ?      ? 
1 1 1  -11   49   18 o   14.293   3.7041  223.457  103.612  223.457  103.612   0.0000   0.0000   14.293   3.7041  ?   ?       ?      ? 
1 1 1  -11   49   19 o   6.7071   3.1989 -129.6969  115.770 -129.6969  115.770   0.0000   0.0000   6.7071   3.1989  ?   ?       ?      ? 
1 1 1  -11   49   20 o   8.5598   3.7840  -7.8282  123.758  -7.8282  123.758   0.0000   0.0000   8.5598   3.7840  ?   ?       ?      ? 
1 1 1  -11   49   21 o   8.4970   2.3092   53.323   33.124   65.621  124.205   52.381   34.368   9.8263   4.0436   7.1677   2.2314 2.658593 4.618398 
1 1 1  -11   49   22 o   6.0835   2.4467   21.593   44.263   0.0000   0.0000   21.593   44.263  ?   ?    6.0835   2.4467      ?      ? 
1 1 1  -11   50    1 o   55.987   0.8368  3056.29   74.931  3060.34   84.703  3041.72  160.699   56.118   0.7776   55.857   1.4821 0.2610893 1.673667 
1 1 1  -11   50    2 o   6.6959   2.1066  -9.1869   43.470  -4.0788   47.878 -33.1586  103.718   5.6206   2.4208   7.7713   3.4484 -2.150719 4.213272 
1 1 1  -11   50    3 o   25.346   1.2605  605.100   45.047  595.229   48.869  660.910  116.201   24.738   1.0177   25.955   2.3064 -1.216606 2.520901 
1 1 1  -11   50    4 o   37.817   1.0053  1448.22   52.961  1473.30   57.779  1316.38  132.472   38.937   0.7644   36.697   1.8596 2.240433 2.010628 
1 1 1  -11   50    5 o   14.932   1.9403  232.309   40.146  236.325   43.850  211.505   99.810   15.570   1.4509   14.295   3.5992 1.274633 3.880631 
1 1 1  -11   50    6 o   39.051   0.7200  1481.77   54.577  1481.77   54.577   0.0000   0.0000   39.051   0.7200  ?   ?       ?      ? 
1 1 1  -11   50    7 o   41.210   0.6875  1650.06   54.997  1650.06   54.997   0.0000   0.0000   41.210   0.6875  ?   ?       ?      ? 
1 1 1  -11   50    8 o   44.437   0.6616  1918.56   57.068  1918.56   57.068   0.0000   0.0000   44.437   0.6616  ?   ?       ?      ? 
1 1 1  -11   50    9 o   16.913   0.9942  278.343   32.641  278.343   32.641   0.0000   0.0000   16.913   0.9942  ?   ?       ?      ? 
1 1 1  -11   50   10 o   55.166   0.6746  2957.62   72.236  2957.62   72.236   0.0000   0.0000   55.166   0.6746  ?   ?       ?      ? 
1 1 1  -11   50   11 o   25.860   2.2240  659.057  111.644  659.057  111.644   0.0000   0.0000   25.860   2.2240  ?   ?       ?      ? 
1 1 1  -11   50   12 o   31.403   1.8340  967.955  111.796  967.955  111.796   0.0000   0.0000   31.403   1.8340  ?   ?       ?      ? 
1 1 1  -11   50   13 o   32.179   1.6370  1015.21  102.257  1015.21  102.257   0.0000   0.0000   32.179   1.6370  ?   ?       ?      ? 
1 1 1  -11   50   14 o   9.7225   3.8683   59.937  109.415   59.937  109.415   0.0000   0.0000   9.7225   3.8683  ?   ?       ?      ? 
1 1 1  -11   50   15 o   23.224   2.0946  535.527   94.430  535.527   94.430   0.0000   0.0000   23.224   2.0946  ?   ?       ?      ? 
1 1 1  -11   50   16 o   21.639   2.4735  471.390  103.900  471.390  103.900   0.0000   0.0000   21.639   2.4735  ?   ?       ?      ? 
1 1 1  -11   50   17 o   27.812   2.1679  773.004  117.037  773.004  117.037   0.0000   0.0000   27.812   2.1679  ?   ?       ?      ? 
1 1 1  -11   50   18 o   7.9372   3.3705   15.351   90.446   15.351   90.446   0.0000   0.0000   7.9372   3.3705  ?   ?       ?      ? 
1 1 1  -11   50   19 o   16.711   3.3008  303.519  103.277  303.519  103.277   0.0000   0.0000   16.711   3.3008  ?   ?       ?      ? 
1 1 1  -11   50   20 f   14.031   3.9465  226.301  111.997  226.301  111.997   0.0000   0.0000   14.031   3.9465  ?   ?       ?      ? 
1 1 1  -11   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   51    1 o   30.842   1.1910  929.747   51.989  929.981   56.674  928.507  130.592   30.923   0.9442   30.762   2.1870 0.1609650 2.382057 
1 1 1  -11   51    2 o   37.520   1.0140  1350.61   55.064  1339.68   60.220  1406.37  136.007   37.122   0.8357   37.918   1.8478 -0.7957993 2.027955 
1 1 1  -11   51    3 o   11.245   2.3691  117.007   42.432  115.480   45.448  127.379  118.454   10.648   2.2683   11.843   4.1600 -1.195405 4.738220 
1 1 1  -11   51    4 o   33.518   1.0547  1047.51   49.084  1027.51   53.030  1167.12  129.681   32.510   0.8403   34.527   1.9349 -2.016441 2.109482 
1 1 1  -11   51    5 o   39.351   0.7305  1504.90   55.800  1504.90   55.800   0.0000   0.0000   39.351   0.7305  ?   ?       ?      ? 
1 1 1  -11   51    6 o   11.389   1.8667  126.994   41.269  126.994   41.269   0.0000   0.0000   11.389   1.8667  ?   ?       ?      ? 
1 1 1  -11   51    7 o   30.366   0.7436  896.272   43.834  896.272   43.834   0.0000   0.0000   30.366   0.7436  ?   ?       ?      ? 
1 1 1  -11   51    8 o   20.350   0.9804  403.045   38.731  403.045   38.731   0.0000   0.0000   20.350   0.9804  ?   ?       ?      ? 
1 1 1  -11   51    9 o   5.4946   2.1466   18.087   33.147   18.087   33.147   0.0000   0.0000   5.4946   2.1466  ?   ?       ?      ? 
1 1 1  -11   51   10 o   47.619   0.7195  2204.58   66.508  2204.58   66.508   0.0000   0.0000   47.619   0.7195  ?   ?       ?      ? 
1 1 1  -11   51   11 o   37.340   1.6381  1365.89  118.735  1365.89  118.735   0.0000   0.0000   37.340   1.6381  ?   ?       ?      ? 
1 1 1  -11   51   12 o   40.649   1.4185  1616.40  111.926  1616.40  111.926   0.0000   0.0000   40.649   1.4185  ?   ?       ?      ? 
1 1 1  -11   51   13 o   29.760   1.9928  875.404  115.124  875.404  115.124   0.0000   0.0000   29.760   1.9928  ?   ?       ?      ? 
1 1 1  -11   51   14 o   12.937   3.5639  178.941   92.359  178.941   92.359   0.0000   0.0000   12.937   3.5639  ?   ?       ?      ? 
1 1 1  -11   51   15 o   20.418   2.8305  424.291  112.189  424.291  112.189   0.0000   0.0000   20.418   2.8305  ?   ?       ?      ? 
1 1 1  -11   51   16 o   12.866   3.5450  179.046   91.371  179.046   91.371   0.0000   0.0000   12.866   3.5450  ?   ?       ?      ? 
1 1 1  -11   51   17 o   17.146   3.3101  315.731  106.182  315.731  106.182   0.0000   0.0000   17.146   3.3101  ?   ?       ?      ? 
1 1 1  -11   51   18 o   8.8636   3.7934   21.281  116.190   21.281  116.190   0.0000   0.0000   8.8636   3.7934  ?   ?       ?      ? 
1 1 1  -11   51   19 f   10.934   4.0503  119.421  114.146  119.421  114.146   0.0000   0.0000   10.934   4.0503  ?   ?       ?      ? 
1 1 1  -11   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   51   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   52    1 o   7.3330   2.2171   5.8135   44.740   2.8055   49.546   19.099  104.128   5.9078   2.5009   8.7582   3.6616 -2.850345 4.434168 
1 1 1  -11   52    2 f   39.106   0.9011  1451.29   55.003  1425.31   61.351  1557.72  124.168   38.286   0.8255   39.926   1.6021 -1.639114 1.802279 
1 1 1  -11   52    3 o   16.360   1.6768  202.080   43.701  163.923   47.982  387.749  105.843   12.933   1.9113   19.787   2.7555 -6.854691 3.353513 
1 1 1  -11   52    4 o   25.477   1.2049  614.519   43.738  605.139   47.579  665.685  111.124   24.937   0.9829   26.017   2.2003 -1.080851 2.409837 
1 1 1  -11   52    5 f   29.035   0.8546  819.934   48.168  819.934   48.168   0.0000   0.0000   29.035   0.8546  ?   ?       ?      ? 
1 1 1  -11   52    6 o   33.712   0.7575  1104.95   49.574  1104.95   49.574   0.0000   0.0000   33.712   0.7575  ?   ?       ?      ? 
1 1 1  -11   52    7 o   10.346   1.9752  108.531   38.221  108.531   38.221   0.0000   0.0000   10.346   1.9752  ?   ?       ?      ? 
1 1 1  -11   52    8 o   20.725   0.9913  418.206   39.882  418.206   39.882   0.0000   0.0000   20.725   0.9913  ?   ?       ?      ? 
1 1 1  -11   52    9 o   25.981   0.8343  656.685   42.077  656.685   42.077   0.0000   0.0000   25.981   0.8343  ?   ?       ?      ? 
1 1 1  -11   52   10 o   33.065   0.6629  1062.86   42.547  1062.86   42.547   0.0000   0.0000   33.065   0.6629  ?   ?       ?      ? 
1 1 1  -11   52   11 o   10.988   3.6629  119.228   91.554  119.228   91.554   0.0000   0.0000   10.988   3.6629  ?   ?       ?      ? 
1 1 1  -11   52   12 o   23.085   2.4280  531.859  108.801  531.859  108.801   0.0000   0.0000   23.085   2.4280  ?   ?       ?      ? 
1 1 1  -11   52   13 o   11.720   3.8440  141.452  100.981  141.452  100.981   0.0000   0.0000   11.720   3.8440  ?   ?       ?      ? 
1 1 1  -11   52   14 o   12.015   3.9793  150.995  108.120  150.995  108.120   0.0000   0.0000   12.015   3.9793  ?   ?       ?      ? 
1 1 1  -11   52   15 o   29.264   1.8334  848.734  104.150  848.734  104.150   0.0000   0.0000   29.264   1.8334  ?   ?       ?      ? 
1 1 1  -11   52   16 o   22.703   2.6551  524.971  117.008  524.971  117.008   0.0000   0.0000   22.703   2.6551  ?   ?       ?      ? 
1 1 1  -11   52   17 o   12.852   3.7461  183.421   99.193  183.421   99.193   0.0000   0.0000   12.852   3.7461  ?   ?       ?      ? 
1 1 1  -11   52   18 o   10.816   3.8541  120.383  102.004  120.383  102.004   0.0000   0.0000   10.816   3.8541  ?   ?       ?      ? 
1 1 1  -11   52   19 o   6.7028   3.1894 -114.6105  113.668 -114.6105  113.668   0.0000   0.0000   6.7028   3.1894  ?   ?       ?      ? 
1 1 1  -11   52   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   53    1 f   14.635   2.2231  220.345   47.378  221.985   51.694  211.738  118.445   15.051   1.7694   14.219   4.0790 0.8317366 4.446186 
1 1 1  -11   53    2 o   24.931   1.4455  646.838   49.475  663.185   53.956  560.487  124.005   26.094   1.0652   23.768   2.6877 2.326183 2.891082 
1 1 1  -11   53    3 o   48.785   0.9038  2325.63   65.946  2327.93   72.921  2315.32  154.511   48.930   0.7677   48.640   1.6364 0.2891502 1.807574 
1 1 1  -11   53    4 o   34.355   1.1233  1209.23   51.156  1230.84   55.277  1080.29  135.024   35.575   0.8004   33.134   2.0993 2.440857 2.246696 
1 1 1  -11   53    5 o   14.370   1.6332  202.138   45.558  202.138   45.558   0.0000   0.0000   14.370   1.6332  ?   ?       ?      ? 
1 1 1  -11   53    6 o   13.839   1.6278  187.507   43.730  187.507   43.730   0.0000   0.0000   13.839   1.6278  ?   ?       ?      ? 
1 1 1  -11   53    7 o   33.502   0.7594  1091.53   49.385  1091.53   49.385   0.0000   0.0000   33.502   0.7594  ?   ?       ?      ? 
1 1 1  -11   53    8 o   22.371   0.9310  487.273   40.430  487.273   40.430   0.0000   0.0000   22.371   0.9310  ?   ?       ?      ? 
1 1 1  -11   53    9 o   25.003   0.8358  608.447   40.567  608.447   40.567   0.0000   0.0000   25.003   0.8358  ?   ?       ?      ? 
1 1 1  -11   53   10 o   20.392   0.8979  405.073   35.542  405.073   35.542   0.0000   0.0000   20.392   0.8979  ?   ?       ?      ? 
1 1 1  -11   53   11 o   5.2830   2.0179   19.356   28.816   19.356   28.816   0.0000   0.0000   5.2830   2.0179  ?   ?       ?      ? 
1 1 1  -11   53   12 o   18.782   2.9939  359.432  109.157  359.432  109.157   0.0000   0.0000   18.782   2.9939  ?   ?       ?      ? 
1 1 1  -11   53   13 o   10.256   3.6229  101.218   89.950  101.218   89.950   0.0000   0.0000   10.256   3.6229  ?   ?       ?      ? 
1 1 1  -11   53   14 o   8.5568   3.6685   11.184  109.009   11.184  109.009   0.0000   0.0000   8.5568   3.6685  ?   ?       ?      ? 
1 1 1  -11   53   15 o   7.4561   3.3405 -28.9760   99.802 -28.9760   99.802   0.0000   0.0000   7.4561   3.3405  ?   ?       ?      ? 
1 1 1  -11   53   16 o   15.726   3.3994  270.075  100.746  270.075  100.746   0.0000   0.0000   15.726   3.3994  ?   ?       ?      ? 
1 1 1  -11   53   17 o   19.862   3.1509  416.280  121.485  416.280  121.485   0.0000   0.0000   19.862   3.1509  ?   ?       ?      ? 
1 1 1  -11   53   18 o   21.926   2.7442  500.729  116.797  500.729  116.797   0.0000   0.0000   21.926   2.7442  ?   ?       ?      ? 
1 1 1  -11   53   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   53   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   54    1 o   17.553   1.8648  282.836   47.341  268.267   51.796  356.761  116.675   16.551   1.6122   18.555   3.3631 -2.004786 3.729548 
1 1 1  -11   54    2 o   19.537   1.6752  397.317   48.923  409.806   54.587  346.329  110.297   20.481   1.3730   18.592   3.0561 1.889503 3.350381 
1 1 1  -11   54    3 o   31.065   1.0517  892.340   49.804  862.604   54.949  1029.18  117.876   29.765   0.9510   32.366   1.8762 -2.600618 2.103451 
1 1 1  -11   54    4 o   21.830   1.3549  514.156   50.033  580.998   60.368  367.492   89.421   24.396   1.2747   19.264   2.3912 5.131887 2.709760 
1 1 1  -11   54    5 o   42.337   0.7637  1743.39   62.767  1743.39   62.767   0.0000   0.0000   42.337   0.7637  ?   ?       ?      ? 
1 1 1  -11   54    6 o   21.375   1.1048  445.537   45.843  445.537   45.843   0.0000   0.0000   21.375   1.1048  ?   ?       ?      ? 
1 1 1  -11   54    7 o   6.4199   2.4192   30.563   41.067   30.563   41.067   0.0000   0.0000   6.4199   2.4192  ?   ?       ?      ? 
1 1 1  -11   54    8 f   18.406   1.1648  330.807   41.616  330.807   41.616   0.0000   0.0000   18.406   1.1648  ?   ?       ?      ? 
1 1 1  -11   54    9 o   4.1536   1.9222 -29.6746   36.626 -29.6746   36.626   0.0000   0.0000   4.1536   1.9222  ?   ?       ?      ? 
1 1 1  -11   54   10 o   18.996   1.0218  352.157   37.679  352.157   37.679   0.0000   0.0000   18.996   1.0218  ?   ?       ?      ? 
1 1 1  -11   54   11 o   20.831   0.8470  422.952   34.253  422.952   34.253   0.0000   0.0000   20.831   0.8470  ?   ?       ?      ? 
1 1 1  -11   54   12 o   16.877   3.0346  299.662   95.760  299.662   95.760   0.0000   0.0000   16.877   3.0346  ?   ?       ?      ? 
1 1 1  -11   54   13 o   24.097   2.4133  584.434  112.882  584.434  112.882   0.0000   0.0000   24.097   2.4133  ?   ?       ?      ? 
1 1 1  -11   54   14 o   9.6342   3.5765   83.077   89.097   83.077   89.097   0.0000   0.0000   9.6342   3.5765  ?   ?       ?      ? 
1 1 1  -11   54   15 o   9.5755   3.8608   62.850  110.513   62.850  110.513   0.0000   0.0000   9.5755   3.8608  ?   ?       ?      ? 
1 1 1  -11   54   16 o   15.115   3.6791  256.387  106.929  256.387  106.929   0.0000   0.0000   15.115   3.6791  ?   ?       ?      ? 
1 1 1  -11   54   17 o   22.866   2.2719  532.581  100.842  532.581  100.842   0.0000   0.0000   22.866   2.2719  ?   ?       ?      ? 
1 1 1  -11   54   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   54   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   55    1 o   30.756   1.1500  921.214   52.687  917.245   58.136  939.460  124.644   30.680   0.9762   30.831   2.0827 -0.1511307 2.300073 
1 1 1  -11   55    2 o   18.430   1.9333  328.918   49.482  321.310   53.926  369.451  124.475   18.106   1.5343   18.755   3.5490 -0.6490326 3.866503 
1 1 1  -11   55    3 o   41.336   1.0417  1608.51   73.917  1538.84   85.502  1814.63  147.064   39.715   1.1091   42.958   1.7636 -3.242928 2.083335 
1 1 1  -11   55    4 o   10.775   2.3438  119.620   47.628  119.620   47.628   0.0000   0.0000   10.775   2.3438  ?   ?       ?      ? 
1 1 1  -11   55    5 o   10.402   2.4336  111.972   48.266  111.972   48.266   0.0000   0.0000   10.402   2.4336  ?   ?       ?      ? 
1 1 1  -11   55    6 o   44.266   0.7334  1906.69   63.016  1906.69   63.016   0.0000   0.0000   44.266   0.7334  ?   ?       ?      ? 
1 1 1  -11   55    7 o   26.764   0.9066  698.080   47.101  698.080   47.101   0.0000   0.0000   26.764   0.9066  ?   ?       ?      ? 
1 1 1  -11   55    8 o   29.641   0.8116  855.686   46.700  855.686   46.700   0.0000   0.0000   29.641   0.8116  ?   ?       ?      ? 
1 1 1  -11   55    9 f   9.3295   2.2513   90.267   40.305   90.267   40.305   0.0000   0.0000   9.3295   2.2513  ?   ?       ?      ? 
1 1 1  -11   55   10 f   23.788   0.8826  551.855   40.758  551.855   40.758   0.0000   0.0000   23.788   0.8826  ?   ?       ?      ? 
1 1 1  -11   55   11 o   13.307   1.3461  173.805   34.770  173.805   34.770   0.0000   0.0000   13.307   1.3461  ?   ?       ?      ? 
1 1 1  -11   55   12 o   27.822   0.7063  753.739   38.144  753.739   38.144   0.0000   0.0000   27.822   0.7063  ?   ?       ?      ? 
1 1 1  -11   55   13 o   23.961   2.3243  579.125  108.109  579.125  108.109   0.0000   0.0000   23.961   2.3243  ?   ?       ?      ? 
1 1 1  -11   55   14 o   22.661   2.4677  522.772  108.550  522.772  108.550   0.0000   0.0000   22.661   2.4677  ?   ?       ?      ? 
1 1 1  -11   55   15 o   11.901   3.6641  156.541   92.961  156.541   92.961   0.0000   0.0000   11.901   3.6641  ?   ?       ?      ? 
1 1 1  -11   55   16 o   8.6995   3.7689   15.265  117.419   15.265  117.419   0.0000   0.0000   8.6995   3.7689  ?   ?       ?      ? 
1 1 1  -11   55   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   55   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   56    1 o   42.041   0.9319  1656.14   58.426  1616.18   64.181  1849.43  141.165   40.738   0.8116   43.344   1.6778 -2.605236 1.863768 
1 1 1  -11   56    2 o   30.215   1.1077  883.216   51.888  874.130   57.875  920.440  117.146   29.935   0.9960   30.495   1.9790 -0.5595608 2.215444 
1 1 1  -11   56    3 o   16.450   1.7574  237.754   46.569  214.712   51.822  334.452  106.158   14.751   1.8097   18.149   3.0132 -3.398218 3.514875 
1 1 1  -11   56    4 o   24.507   1.0622  586.297   50.530  586.297   50.530   0.0000   0.0000   24.507   1.0622  ?   ?       ?      ? 
1 1 1  -11   56    5 o   26.732   0.9721  697.070   50.445  697.070   50.445   0.0000   0.0000   26.732   0.9721  ?   ?       ?      ? 
1 1 1  -11   56    6 o   20.329   1.1374  403.981   44.882  403.981   44.882   0.0000   0.0000   20.329   1.1374  ?   ?       ?      ? 
1 1 1  -11   56    7 o   28.277   0.8552  779.370   46.944  779.370   46.944   0.0000   0.0000   28.277   0.8552  ?   ?       ?      ? 
1 1 1  -11   56    8 o   8.4327   2.4541   73.149   42.599   73.149   42.599   0.0000   0.0000   8.4327   2.4541  ?   ?       ?      ? 
1 1 1  -11   56    9 o   25.054   0.9357  612.560   45.509  612.560   45.509   0.0000   0.0000   25.054   0.9357  ?   ?       ?      ? 
1 1 1  -11   56   10 o   5.3667   2.2196   9.2679   37.680   9.2679   37.680   0.0000   0.0000   5.3667   2.2196  ?   ?       ?      ? 
1 1 1  -11   56   11 o   12.284   1.4987  148.718   35.738  148.718   35.738   0.0000   0.0000   12.284   1.4987  ?   ?       ?      ? 
1 1 1  -11   56   12 o   8.8818   2.0349   81.935   34.332   81.935   34.332   0.0000   0.0000   8.8818   2.0349  ?   ?       ?      ? 
1 1 1  -11   56   13 o   14.255   1.1936  199.525   33.029  199.525   33.029   0.0000   0.0000   14.255   1.1936  ?   ?       ?      ? 
1 1 1  -11   56   14 o   5.4744   2.7180 -244.0433  110.898 -244.0433  110.898   0.0000   0.0000   5.4744   2.7180  ?   ?       ?      ? 
1 1 1  -11   56   15 o   10.231   3.8900   98.331  106.784   98.331  106.784   0.0000   0.0000   10.231   3.8900  ?   ?       ?      ? 
1 1 1  -11   56   16 o   15.536   3.3457  269.710   97.920  269.710   97.920   0.0000   0.0000   15.536   3.3457  ?   ?       ?      ? 
1 1 1  -11   56   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   57    1 o   21.137   1.5689  432.687   49.388  425.119   54.373  468.378  118.076   20.816   1.3456   21.458   2.8347 -0.6420422 3.137846 
1 1 1  -11   57    2 o   13.157   2.2707  194.849   46.870  204.234   51.066  144.677  118.073   14.363   1.8315   11.951   4.1558 2.412704 4.541480 
1 1 1  -11   57    3 o   22.517   1.6313  547.552   47.950  563.811   51.912  453.065  125.139   24.013   1.1137   21.022   3.0666 2.991060 3.262577 
1 1 1  -11   57    4 o   5.7424   2.4277   4.8845   46.589   4.8845   46.589   0.0000   0.0000   5.7424   2.4277  ?   ?       ?      ? 
1 1 1  -11   57    5 o   11.157   2.1950  128.407   45.848  128.407   45.848   0.0000   0.0000   11.157   2.1950  ?   ?       ?      ? 
1 1 1  -11   57    6 o   13.655   1.6745  184.130   44.384  184.130   44.384   0.0000   0.0000   13.655   1.6745  ?   ?       ?      ? 
1 1 1  -11   57    7 o   15.478   1.5410  235.975   46.302  235.975   46.302   0.0000   0.0000   15.478   1.5410  ?   ?       ?      ? 
1 1 1  -11   57    8 o   21.254   1.1310  441.997   46.663  441.997   46.663   0.0000   0.0000   21.254   1.1310  ?   ?       ?      ? 
1 1 1  -11   57    9 o   43.024   0.7364  1803.20   61.501  1803.20   61.501   0.0000   0.0000   43.024   0.7364  ?   ?       ?      ? 
1 1 1  -11   57   10 o   15.494   1.2578  235.673   37.830  235.673   37.830   0.0000   0.0000   15.494   1.2578  ?   ?       ?      ? 
1 1 1  -11   57   11 o   5.9867   2.2982   25.722   37.495   25.722   37.495   0.0000   0.0000   5.9867   2.2982  ?   ?       ?      ? 
1 1 1  -11   57   12 o   26.324   0.7623  675.876   38.951  675.876   38.951   0.0000   0.0000   26.324   0.7623  ?   ?       ?      ? 
1 1 1  -11   57   13 o   20.705   2.8240  446.030  113.504  446.030  113.504   0.0000   0.0000   20.705   2.8240  ?   ?       ?      ? 
1 1 1  -11   57   14 o   15.446   3.1455  260.861   91.106  260.861   91.106   0.0000   0.0000   15.446   3.1455  ?   ?       ?      ? 
1 1 1  -11   57   15 o   21.340   2.7827  478.825  115.271  478.825  115.271   0.0000   0.0000   21.340   2.7827  ?   ?       ?      ? 
1 1 1  -11   57   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   58    1 o   11.768   2.4355  104.529   48.079   77.149   52.648  242.057  117.992   8.7365   2.7679   14.800   4.0082 -6.063054 4.871031 
1 1 1  -11   58    2 o   21.128   1.4742  440.072   47.653  436.947   53.011  453.227  108.766   21.107   1.2938   21.150   2.6493 -0.4230499E-01 2.948304 
1 1 1  -11   58    3 o   20.503   1.5885  442.292   47.422  454.737   52.528  387.451  110.265   21.539   1.2563   19.467   2.9179 2.072086 3.176912 
1 1 1  -11   58    4 f   33.660   0.8631  1104.83   56.397  1104.83   56.397   0.0000   0.0000   33.660   0.8631  ?   ?       ?      ? 
1 1 1  -11   58    5 o   22.115   1.1723  478.885   50.328  478.885   50.328   0.0000   0.0000   22.115   1.1723  ?   ?       ?      ? 
1 1 1  -11   58    6 f   22.784   1.1097  507.958   49.079  507.958   49.079   0.0000   0.0000   22.784   1.1097  ?   ?       ?      ? 
1 1 1  -11   58    7 o   13.815   1.7330  189.099   46.476  189.099   46.476   0.0000   0.0000   13.815   1.7330  ?   ?       ?      ? 
1 1 1  -11   58    8 o   5.0253   2.2405 -14.9186   44.310 -14.9186   44.310   0.0000   0.0000   5.0253   2.2405  ?   ?       ?      ? 
1 1 1  -11   58    9 o   9.6593   2.2459   97.635   41.314   97.635   41.314   0.0000   0.0000   9.6593   2.2459  ?   ?       ?      ? 
1 1 1  -11   58   10 o   18.116   1.2154  322.424   42.743  322.424   42.743   0.0000   0.0000   18.116   1.2154  ?   ?       ?      ? 
1 1 1  -11   58   11 o   18.450   1.1195  333.998   40.096  333.998   40.096   0.0000   0.0000   18.450   1.1195  ?   ?       ?      ? 
1 1 1  -11   58   12 o   14.565   1.3173  209.209   37.244  209.209   37.244   0.0000   0.0000   14.565   1.3173  ?   ?       ?      ? 
1 1 1  -11   58   13 o   6.5419   3.0894 -92.6733  102.868 -92.6733  102.868   0.0000   0.0000   6.5419   3.0894  ?   ?       ?      ? 
1 1 1  -11   58   14 o   8.2671   3.6082   9.5774  109.286   9.5774  109.286   0.0000   0.0000   8.2671   3.6082  ?   ?       ?      ? 
1 1 1  -11   58   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   59    1 o   10.493   2.4913   98.042   50.569   86.021   56.478  146.643  113.559   9.1432   2.8628   11.843   4.0780 -2.699977 4.982556 
1 1 1  -11   59    2 o   9.6798   2.3537   98.110   51.553  119.094   56.715  -1.6819  123.680   10.602   2.7370   8.7574   3.8299 1.844894 4.707364 
1 1 1  -11   59    3 o   23.442   1.2516  539.313   56.953  539.313   56.953   0.0000   0.0000   23.442   1.2516  ?   ?       ?      ? 
1 1 1  -11   59    4 o   5.8931   2.5229   1.6994   51.422   1.6994   51.422   0.0000   0.0000   5.8931   2.5229  ?   ?       ?      ? 
1 1 1  -11   59    5 o   13.147   1.9301  172.388   49.258  172.388   49.258   0.0000   0.0000   13.147   1.9301  ?   ?       ?      ? 
1 1 1  -11   59    6 o   10.980   2.3156  125.982   47.803  125.982   47.803   0.0000   0.0000   10.980   2.3156  ?   ?       ?      ? 
1 1 1  -11   59    7 f   9.9090   2.4515  103.598   46.895  103.598   46.895   0.0000   0.0000   9.9090   2.4515  ?   ?       ?      ? 
1 1 1  -11   59    8 o   17.763   1.3664  310.983   47.115  310.983   47.115   0.0000   0.0000   17.763   1.3664  ?   ?       ?      ? 
1 1 1  -11   59    9 o   25.625   0.9546  642.355   47.483  642.355   47.483   0.0000   0.0000   25.625   0.9546  ?   ?       ?      ? 
1 1 1  -11   59   10 o   10.782   2.0408  120.541   41.148  120.541   41.148   0.0000   0.0000   10.782   2.0408  ?   ?       ?      ? 
1 1 1  -11   59   11 o   7.0528   2.4116   47.952   39.691   47.952   39.691   0.0000   0.0000   7.0528   2.4116  ?   ?       ?      ? 
1 1 1  -11   59   12 o   10.315   3.9096  103.187  107.651  103.187  107.651   0.0000   0.0000   10.315   3.9096  ?   ?       ?      ? 
1 1 1  -11   59   13 o   10.244   3.6261  111.518   90.154  111.518   90.154   0.0000   0.0000   10.244   3.6261  ?   ?       ?      ? 
1 1 1  -11   59   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   60    1 f   8.7944   2.5358   31.192   53.691   15.570   59.006  106.385  129.453   6.6409   2.7647   10.948   4.2518 -4.306938 5.071579 
1 1 1  -11   60    2 o   13.399   2.2926  185.778   51.326  181.569   57.664  201.829  112.607   13.413   2.2147   13.386   4.0148 0.2730274E-01 4.585100 
1 1 1  -11   60    3 o   8.3761   2.8802   68.376   56.639   68.376   56.639   0.0000   0.0000   8.3761   2.8802  ?   ?       ?      ? 
1 1 1  -11   60    4 o   11.756   2.4483  145.379   54.056  145.379   54.056   0.0000   0.0000   11.756   2.4483  ?   ?       ?      ? 
1 1 1  -11   60    5 o   17.861   1.4524  315.107   50.355  315.107   50.355   0.0000   0.0000   17.861   1.4524  ?   ?       ?      ? 
1 1 1  -11   60    6 o   10.396   2.5225  114.735   50.386  114.735   50.386   0.0000   0.0000   10.396   2.5225  ?   ?       ?      ? 
1 1 1  -11   60    7 o   22.548   1.1470  499.206   50.206  499.206   50.206   0.0000   0.0000   22.548   1.1470  ?   ?       ?      ? 
1 1 1  -11   60    8 o   11.784   2.1077  143.958   46.443  143.958   46.443   0.0000   0.0000   11.784   2.1077  ?   ?       ?      ? 
1 1 1  -11   60    9 o   14.991   1.5875  223.383   46.196  223.383   46.196   0.0000   0.0000   14.991   1.5875  ?   ?       ?      ? 
1 1 1  -11   60   10 o   4.9084   2.1960 -14.8034   42.973 -14.8034   42.973   0.0000   0.0000   4.9084   2.1960  ?   ?       ?      ? 
1 1 1  -11   60   11 o   14.234   3.9715  238.465  113.900  238.465  113.900   0.0000   0.0000   14.234   3.9715  ?   ?       ?      ? 
1 1 1  -11   60   12 o   9.3593   3.6145   80.385   93.149   80.385   93.149   0.0000   0.0000   9.3593   3.6145  ?   ?       ?      ? 
1 1 1  -11   60   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -11   61    1 o   14.842   2.1704  256.329   52.392  275.567   60.009  194.644  107.451   16.592   1.8631   13.092   3.9207 3.499744 4.340832 
1 1 1  -11   61    2 o   10.802   2.4923   42.005   53.534  -6.1300   58.638  282.991  131.203   6.0288   2.6368   15.575   4.2301 -9.546614 4.984652 
1 1 1  -11   61    3 o   18.362   1.6126  334.912   57.479  334.912   57.479   0.0000   0.0000   18.362   1.6126  ?   ?       ?      ? 
1 1 1  -11   61    4 o   20.249   1.4390  405.464   56.562  405.464   56.562   0.0000   0.0000   20.249   1.4390  ?   ?       ?      ? 
1 1 1  -11   61    5 o   4.8995   2.2643 -36.2477   50.567 -36.2477   50.567   0.0000   0.0000   4.8995   2.2643  ?   ?       ?      ? 
1 1 1  -11   61    6 o   11.592   2.2838  141.001   49.563  141.001   49.563   0.0000   0.0000   11.592   2.2838  ?   ?       ?      ? 
1 1 1  -11   61    7 o   7.4325   2.6769   50.682   49.333   50.682   49.333   0.0000   0.0000   7.4325   2.6769  ?   ?       ?      ? 
1 1 1  -11   61    8 o   17.941   1.4321  318.960   49.873  318.960   49.873   0.0000   0.0000   17.941   1.4321  ?   ?       ?      ? 
1 1 1  -11   61    9 o   4.8873   2.2175 -21.9378   45.600 -21.9378   45.600   0.0000   0.0000   4.8873   2.2175  ?   ?       ?      ? 
1 1 1  -11   61   10 o   18.578   3.4190  387.683  118.758  387.683  118.758   0.0000   0.0000   18.578   3.4190  ?   ?       ?      ? 
1 1 1  -11   61   11 o   10.541   3.9951  115.197  112.401  115.197  112.401   0.0000   0.0000   10.541   3.9951  ?   ?       ?      ? 
1 1 1  -11   62    1 o   7.2941   2.3315 -32.3341   52.218 -48.7365   57.252   48.829  127.355   5.0424   2.3570   9.5458   4.0235 -4.503375 4.663073 
1 1 1  -11   62    2 f   8.4625   2.2074   66.797   48.973   91.098   57.455   2.2391   93.647   9.2655   2.8852   7.6595   3.3416 1.606049 4.414880 
1 1 1  -11   62    3 o   9.2259   2.8265   90.512   55.396   90.512   55.396   0.0000   0.0000   9.2259   2.8265  ?   ?       ?      ? 
1 1 1  -11   62    4 o   17.990   1.5033  321.345   52.496  321.345   52.496   0.0000   0.0000   17.990   1.5033  ?   ?       ?      ? 
1 1 1  -11   62    5 o   6.4231   2.5813   24.311   49.227   24.311   49.227   0.0000   0.0000   6.4231   2.5813  ?   ?       ?      ? 
1 1 1  -11   62    6 o   7.3987   2.6919   49.909   50.066   49.909   50.066   0.0000   0.0000   7.3987   2.6919  ?   ?       ?      ? 
1 1 1  -11   62    7 o   14.459   1.8492  210.658   51.900  210.658   51.900   0.0000   0.0000   14.459   1.8492  ?   ?       ?      ? 
1 1 1  -11   62    8 o   9.0258   2.6642   87.702   49.890   87.702   49.890   0.0000   0.0000   9.0258   2.6642  ?   ?       ?      ? 
1 1 1  -11   62    9 o   17.375   3.4989  344.248  113.931  344.248  113.931   0.0000   0.0000   17.375   3.4989  ?   ?       ?      ? 
1 1 1  -11   63    1 o   14.493   2.0877  196.247   49.680  164.086   56.276  309.810  105.749   12.410   2.4231   16.577   3.4004 -4.166965 4.175395 
1 1 1  -11   63    2 f   4.5047   2.1732 -80.7187   56.968 -80.7187   56.968   0.0000   0.0000   4.5047   2.1732  ?   ?       ?      ? 
1 1 1  -11   63    3 o   7.4574   2.8240   47.364   56.135   47.364   56.135   0.0000   0.0000   7.4574   2.8240  ?   ?       ?      ? 
1 1 1  -11   63    4 o   6.1738   2.6123   10.206   54.019   10.206   54.019   0.0000   0.0000   6.1738   2.6123  ?   ?       ?      ? 
1 1 1  -11   63    5 o   7.7236   2.7698   57.117   52.763   57.117   52.763   0.0000   0.0000   7.7236   2.7698  ?   ?       ?      ? 
1 1 1  -11   63    6 o   8.2406   2.7842   69.785   52.898   69.785   52.898   0.0000   0.0000   8.2406   2.7842  ?   ?       ?      ? 
1 1 1  -11   63    7 o   8.4451   2.7836   74.663   52.928   74.663   52.928   0.0000   0.0000   8.4451   2.7836  ?   ?       ?      ? 
1 1 1  -10    0    1 o   37.192   0.6266  1336.56   44.889  1276.65   59.640  1414.86   68.177   36.237   0.8489   38.146   0.9219 -0.000000 0.000000 
1 1 1  -10    0    2 o  127.738   1.3211 15846.90  327.384 16162.01  465.680 15538.95  460.349  128.994   1.8606  126.481   1.8759 -0.000000 0.000000 
1 1 1  -10    0    3 o   56.290   0.7258  3072.65   79.141  2972.01  108.503  3187.04  115.686   55.307   1.0114   57.274   1.0413 -0.000000 0.000000 
1 1 1  -10    0    4 o   55.039   0.7278  2938.93   77.591  2864.00  106.432  3023.93  113.356   54.292   1.0107   55.787   1.0476 -0.000000 0.000000 
1 1 1  -10    0    5 o  360.906   2.5100 126739.90  1734.92 127964.40  2282.04 125062.90  2670.60  362.996   3.2392  358.815   3.8352 -0.000000 0.000000 
1 1 1  -10    0    6 o  216.405   1.8636 45484.64  782.613 45599.80  1106.02 45369.17  1107.54  216.680   2.6304  216.130   2.6407 -0.000000 0.000000 
1 1 1  -10    0    7 o  425.829   2.8611 176152.09  2364.50 176726.50  3337.18 175573.09  3350.69  426.528   4.0314  425.131   4.0610 -0.000000 0.000000 
1 1 1  -10    0    8 o  124.455   1.3139 15041.64  317.168 14884.02  442.487 15208.19  454.857  123.785   1.8424  125.126   1.8736 -0.000000 0.000000 
1 1 1  -10    0    9 o   47.656   2.4130  2227.27   88.129  2226.19   90.082  2251.53  425.530   47.862   0.9705   47.450   4.7275 -0.000000 0.000000 
1 1 1  -10    0   10 o  483.804   3.0204 227347.00  2835.11 225279.80  3949.83 229544.00  4071.86  481.541   4.2263  486.068   4.3163 -0.000000 0.000000 
1 1 1  -10    0   11 o  122.521   2.1117 14111.45  384.013 13850.45  421.881 15372.67  927.388  119.407   1.8211  125.634   3.8106 -0.000000 0.000000 
1 1 1  -10    0   12 f  334.046   2.6212 108521.30  1659.35 108911.10  2130.68 107920.40  2645.31  334.846   3.2787  333.245   4.0907 -0.000000 0.000000 
1 1 1  -10    0   13 o  320.894   2.6093 99883.47  1579.83 99276.23  2008.48 100868.80  2558.46  319.664   3.2375  322.124   4.0931 -0.000000 0.000000 
1 1 1  -10    0   14 o  146.102   2.9437 20790.21  833.105 20108.28  1169.03 21493.94  1187.56  143.658   4.2002  148.547   4.1256 -0.000000 0.000000 
1 1 1  -10    0   15 o  168.360   2.9589 27626.96  964.981 27159.24  1383.46 28070.14  1346.67  166.955   4.2751  169.764   4.0918 -0.000000 0.000000 
1 1 1  -10    0   16 o   66.253   4.1338  4375.17  522.081  4314.03  732.873  4438.16  743.919   65.772   5.8464   66.733   5.8459 -0.000000 0.000000 
1 1 1  -10    0   17 o   65.755   4.2443  4334.04  523.307  4410.24  688.763  4229.99  804.861   66.636   5.4066   64.874   6.5440 -0.000000 0.000000 
1 1 1  -10    0   18 o   76.380   3.0832  5393.10  193.862  5357.73  198.482  6126.16  903.701   74.246   1.3782   78.514   6.0105 -0.000000 0.000000 
1 1 1  -10    0   19 o   51.551   4.7890  2777.42  137.010  2780.40  138.978  2674.66  817.140   53.462   1.3411   49.641   9.4837 -0.000000 0.000000 
1 1 1  -10    0   20 o  114.473   2.9274 13121.59  391.569 13200.99  413.970 12446.92  1206.72  116.532   1.8310  112.413   5.5610 -0.000000 0.000000 
1 1 1  -10    0   21 o   51.028   5.5047  3234.32  150.182  3269.43  152.838  2250.18  809.127   57.975   1.3598   44.081   10.925 -0.000000 0.000000 
1 1 1  -10    0   22 o   44.716   5.7223  2389.64  135.507  2405.43  137.719  1910.19  758.987   49.705   1.4300   39.727   11.355 -0.000000 0.000000 
1 1 1  -10    0   23 o  119.849   2.9081 13604.71  410.492 13484.73  432.784 14680.17  1295.75  117.747   1.8946  121.951   5.4990 -0.000000 0.000000 
1 1 1  -10    0   24 o   24.880   6.2516  941.303  115.202  951.910  115.760 -151.3122  1174.90   31.112   1.9338   18.648   12.353 -0.000000 0.000000 
1 1 1  -10    0   25 o   27.204   6.0509  1199.72  116.480  1214.41  117.444  315.517  911.136   35.219   1.7273   19.189   11.978 -0.000000 0.000000 
1 1 1  -10    0   26 f   58.963   4.4158  2236.84  139.975  2191.05  141.039  5238.79  1141.94   47.406   1.5363   70.521   8.6969 -0.000000 0.000000 
1 1 1  -10    0   27 o   36.182   8.2562  1286.23  138.798  1275.26  139.675  2152.38  1240.57   36.027   2.0116   36.338   16.389 -0.000000 0.000000 
1 1 1  -10    0   28 o   15.288   4.5796  284.056  118.399  284.056  118.399   0.0000   0.0000   15.288   4.5796   15.288   4.5796 -0.000000 0.000000 
1 1 1  -10    0   29 o   43.859   1.8484  1886.04  156.734  1886.04  156.734   0.0000   0.0000   43.859   1.8484   43.859   1.8484 -0.000000 0.000000 
1 1 1  -10    0   30 o   31.152   2.2304  964.903  133.286  964.903  133.286   0.0000   0.0000   31.152   2.2304   31.152   2.2304 -0.000000 0.000000 
1 1 1  -10    0   31 o   47.290   1.7319  2197.00  158.504  2197.00  158.504   0.0000   0.0000   47.290   1.7319   47.290   1.7319 -0.000000 0.000000 
1 1 1  -10    0   32 o   16.691   4.7241  342.672  132.561  342.672  132.561   0.0000   0.0000   16.691   4.7241   16.691   4.7241 -0.000000 0.000000 
1 1 1  -10    0   33 o   12.214   5.5358  232.223  141.604  232.223  141.604   0.0000   0.0000   12.214   5.5358   12.214   5.5358 -0.000000 0.000000 
1 1 1  -10    0   34 o   30.922   2.6891  983.739  158.602  983.739  158.602   0.0000   0.0000   30.922   2.6891   30.922   2.6891 -0.000000 0.000000 
1 1 1  -10    1    1 o  487.743   2.0820 230960.20  1970.60 228751.09  2746.12 233305.30  2829.45  485.341   2.9148  490.144   2.9738 -4.802185 4.164075 
1 1 1  -10    1    2 o  337.750   1.7374 110762.10  1139.09 110716.60  1612.26 110807.50  1609.59  337.680   2.4596  337.819   2.4545 -0.1388855 3.474803 
1 1 1  -10    1    3 o  220.647   1.2997 47254.20  556.609 46574.54  780.618 47957.15  793.878  219.033   1.8360  222.261   1.8400 -3.227203 2.599322 
1 1 1  -10    1    4 o  243.638   1.3787 57627.36  652.071 57706.63  923.227 57548.46  921.113  243.805   1.9507  243.471   1.9489 0.3343048 2.757498 
1 1 1  -10    1    5 o  402.039   1.9777 156960.00  1543.48 156974.09  2180.76 156945.80  2184.88  402.057   2.7942  402.021   2.7997 0.3659058E-01 3.955485 
1 1 1  -10    1    6 o  150.102   1.0332 21866.71  301.025 21480.63  422.445 22264.98  429.058  148.756   1.4630  151.448   1.4594 -2.691574 2.066451 
1 1 1  -10    1    7 o   60.839   0.5447  3592.68   64.328  3584.91   91.147  3600.39   90.802   60.773   0.7726   60.904   0.7680 -0.1311264 1.089416 
1 1 1  -10    1    8 o  146.569   1.0270 20852.06  292.186 20706.42  410.260 21001.98  416.231  146.049   1.4471  147.088   1.4578 -1.038498 2.054065 
1 1 1  -10    1    9 f  209.737   1.5042 42705.14  612.318 42382.59  857.521 43040.68  874.628  208.929   2.1144  210.544   2.1400 -1.614899 3.008352 
1 1 1  -10    1   10 o   71.852   0.8286  5011.29  115.563  4993.17  162.542  5029.82  164.334   71.721   1.1675   71.984   1.1761 -0.2626724 1.657151 
1 1 1  -10    1   11 o  187.813   1.4193 34250.84  517.407 34428.39  729.471 34071.06  733.997  188.303   1.9957  187.323   2.0185 0.9805603 2.838514 
1 1 1  -10    1   12 o  214.083   1.5493 44504.52  643.826 44367.25  911.701 44641.08  909.320  213.754   2.1972  214.413   2.1847 -0.6591644 3.098528 
1 1 1  -10    1   13 o  142.585   1.6219 19441.46  409.189 19021.64  484.622 20484.03  763.700  139.964   1.7837  145.206   2.7094 -5.242004 3.243818 
1 1 1  -10    1   14 o  205.686   2.0128 41112.23  803.609 41082.87  1130.56 41142.22  1142.48  205.613   2.8325  205.759   2.8604 -0.1460114 4.025568 
1 1 1  -10    1   15 o  250.959   2.0648 61237.97  1005.87 61171.18  1420.19 61305.21  1424.85  250.822   2.9169  251.096   2.9232 -0.2736511 4.129568 
1 1 1  -10    1   16 o  165.861   2.1264 26765.37  684.365 27645.97  968.066 25885.60  967.612  168.595   2.9580  163.127   3.0557 5.467407 4.252872 
1 1 1  -10    1   17 f   78.769   1.8732  6032.69  191.743  6033.70  534.453  6032.54  205.418   78.719   3.4976   78.819   1.3426 -0.1000595 3.746398 
1 1 1  -10    1   18 o   39.748   0.9060  1533.10   69.874  1580.07  100.580  1489.29   97.142   40.336   1.2846   39.160   1.2779 1.175674 1.811951 
1 1 1  -10    1   19 o   78.955   0.9777  6050.89  149.754  5751.13  208.902  6367.78  214.789   76.944   1.3986   80.966   1.3666 -4.021629 1.955450 
1 1 1  -10    1   20 o   48.024   0.9177  2241.08   85.520  2196.62  121.691  2284.47  120.209   47.553   1.3183   48.495   1.2769 -0.9427910 1.835352 
1 1 1  -10    1   21 o  127.291   1.2650 15756.74  312.579 15747.14  442.760 15766.28  441.350  127.252   1.7924  127.331   1.7856 -0.7823944E-01 2.530045 
1 1 1  -10    1   22 o   72.325   1.0044  5080.67  140.959  5182.91  202.832  4985.16  196.035   73.027   1.4308   71.622   1.4100 1.405365 2.008827 
1 1 1  -10    1   23 o   75.131   1.0569  5479.56  154.027  5236.55  213.303  5744.34  222.652   73.392   1.4972   76.869   1.4921 -3.476547 2.113796 
1 1 1  -10    1   24 o   33.897   1.2723  1118.33   83.694  1155.94  119.042  1081.56  117.691   34.461   1.7795   33.332   1.8189 1.129185 2.544643 
1 1 1  -10    1   25 o   75.915   1.0626  5606.55  156.567  5613.11  222.999  5600.17  219.873   75.957   1.5124   75.872   1.4929 0.8528900E-01 2.125106 
1 1 1  -10    1   26 o   48.278   1.0705  2263.86  100.225  2149.43  138.327  2390.32  145.416   46.996   1.5163   49.560   1.5115 -2.563992 2.140992 
1 1 1  -10    1   27 o   83.525   1.1771  6796.29  190.786  6907.50  274.177  6691.89  265.650   84.184   1.6778   82.865   1.6515 1.318855 2.354213 
1 1 1  -10    1   28 o   48.558   1.1321  2302.39  106.532  2137.61  149.915  2470.47  151.413   46.794   1.6504   50.322   1.5500 -3.528587 2.264166 
1 1 1  -10    1   29 o   52.116   1.1904  2647.66  120.091  2529.99  162.658  2788.65  178.052   50.857   1.6476   53.375   1.7185 -2.518234 2.380737 
1 1 1  -10    1   30 o   10.158   2.8979   56.402   88.424   74.825  123.957   37.316  126.172   10.523   4.1392   9.7927   4.0569 0.7298841 5.795814 
1 1 1  -10    1   31 o   17.437   2.8130  330.855   92.932  341.571  136.452  321.585  126.918   17.669   4.0631   17.204   3.8914 0.4648476 5.626027 
1 1 1  -10    1   32 o   39.977   1.4260  1594.44  110.528  1637.57  154.042  1548.66  158.682   40.566   1.9562   39.389   2.0754 1.177505 2.851981 
1 1 1  -10    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10    1   34 o   25.616   2.2127  699.323  109.608  786.763  162.020  625.535  148.835   27.123   3.0773   24.109   3.1803 3.013981 4.425355 
1 1 1  -10    2    1 o  250.546   1.3809 60940.16  671.600 60683.13  946.949 61200.29  952.648  250.014   1.9512  251.077   1.9546 -1.062973 2.761811 
1 1 1  -10    2    2 o  132.376   1.0752 16917.35  268.428 16627.11  339.945 17398.00  437.469  130.878   1.3381  133.873   1.6834 -2.995193 2.150411 
1 1 1  -10    2    3 o  118.124   0.8992 13544.38  206.180 13516.14  291.481 13572.67  291.683  118.001   1.2725  118.248   1.2707 -0.2465210 1.798337 
1 1 1  -10    2    4 o  131.824   0.9411 16867.91  240.811 16994.09  341.362 16742.91  339.759  132.314   1.3291  131.333   1.3327 0.9815521 1.882146 
1 1 1  -10    2    5 o  203.090   1.2619 40032.85  497.431 39508.76  697.269 40576.02  709.846  201.737   1.7805  204.443   1.7887 -2.706436 2.523805 
1 1 1  -10    2    6 o  140.653   0.9911 19199.88  270.556 19446.30  386.463 18963.01  378.897  141.538   1.4066  139.768   1.3965 1.769730 1.982119 
1 1 1  -10    2    7 o  124.974   0.9091 15160.77  220.532 15098.50  311.054 15223.71  312.712  124.716   1.2848  125.232   1.2864 -0.5160828 1.818112 
1 1 1  -10    2    8 o  127.546   0.9375 15791.36  232.116 15899.32  328.908 15684.23  327.619  127.980   1.3239  127.111   1.3278 0.8686676 1.875034 
1 1 1  -10    2    9 o  288.991   1.6741 81095.65  939.156 81419.41  1328.73 80772.42  1327.61  289.568   2.3639  288.415   2.3713 1.153198 3.348265 
1 1 1  -10    2   10 o   82.282   0.9279  6571.94  148.211  6634.42  210.142  6510.10  209.066   82.671   1.3095   81.893   1.3151 0.7782822 1.855885 
1 1 1  -10    2   11 o  296.570   1.7206 85415.67  990.536 85360.62  1401.31 85470.65  1400.35  296.474   2.4349  296.666   2.4317 -0.1912231 3.441185 
1 1 1  -10    2   12 o  282.293   1.7005 77388.70  931.856 77144.60  1317.63 77632.96  1318.06  281.848   2.4083  282.739   2.4015 -0.8911743 3.401063 
1 1 1  -10    2   13 o  340.073   1.9665 111909.90  1283.87 109434.20  1686.15 115325.40  1980.51  335.638   2.5880  344.508   2.9615 -8.869843 3.932946 
1 1 1  -10    2   14 o  309.095   2.0556 92841.34  1233.34 91811.59  1735.03 93893.17  1753.54  307.363   2.9080  310.828   2.9062 -3.465057 4.111259 
1 1 1  -10    2   15 o  123.770   2.1464 14883.98  515.245 14592.84  711.139 15205.70  747.558  122.501   2.9905  125.040   3.0799 -2.538681 4.292895 
1 1 1  -10    2   16 o  200.710   2.1055 39163.85  819.601 38753.63  1132.96 39614.22  1187.11  199.616   2.9239  201.805   3.0304 -2.188934 4.210944 
1 1 1  -10    2   17 o  101.477   1.8469  9862.19  274.291 10243.49  668.226  9784.92  300.801  102.580   3.3558  100.375   1.5438 2.204887 3.693881 
1 1 1  -10    2   18 o   23.739   1.2622  548.305   58.065  583.467   81.956  512.869   82.276   24.505   1.7229   22.973   1.8450 1.532127 2.524373 
1 1 1  -10    2   19 o   72.654   0.9585  5121.00  135.082  5301.44  195.551  4956.32  186.818   73.876   1.3636   71.432   1.3473 2.444427 1.916931 
1 1 1  -10    2   20 o   87.013   1.0716  7356.06  180.991  7298.82  253.889  7415.20  258.082   86.670   1.5091   87.357   1.5219 -0.6874390 2.143267 
1 1 1  -10    2   21 o   54.531   0.9425  2886.81   99.707  2821.42  138.178  2957.84  144.016   53.888   1.3209   55.174   1.3447 -1.286308 1.884942 
1 1 1  -10    2   22 o   58.486   0.9630  3326.49  109.224  3162.12  154.718  3489.79  154.214   57.043   1.3973   59.929   1.3256 -2.886345 1.926033 
1 1 1  -10    2   23 o   80.711   1.0520  6331.46  164.734  6375.52  237.055  6290.32  229.087   80.980   1.5080   80.441   1.4671 0.5393524 2.103919 
1 1 1  -10    2   24 o   91.600   1.1292  8159.84  200.733  7904.50  281.280  8424.85  286.551   90.139   1.6075   93.062   1.5862 -2.922470 2.258385 
1 1 1  -10    2   25 o   45.577   1.0830  2023.19   95.702  1965.91  137.516  2076.99  133.271   44.947   1.5761   46.206   1.4858 -1.259014 2.166065 
1 1 1  -10    2   26 o   46.667   1.0719  2120.72   97.012  2017.25  137.217  2224.13  137.174   45.525   1.5527   47.809   1.4781 -2.283833 2.143754 
1 1 1  -10    2   27 o   63.737   1.0929  3956.77  135.206  4033.93  192.099  3881.03  190.334   64.354   1.5378   63.120   1.5534 1.233707 2.185799 
1 1 1  -10    2   28 o   23.585   1.9222  550.037   87.214  643.258  124.765  460.958  121.962   25.571   2.5135   21.598   2.9090 3.973579 3.844475 
1 1 1  -10    2   29 o   73.090   1.1774  5226.76  166.969  5227.67  232.480  5225.79  239.958   73.106   1.6382   73.074   1.6916 0.3182983E-01 2.354846 
1 1 1  -10    2   30 o   37.861   1.3458  1410.28   98.888  1370.09  139.085  1451.36  140.625   37.311   1.9203   38.411   1.8860 -1.100060 2.691579 
1 1 1  -10    2   31 o   14.672   2.9449  236.746   88.398  204.258  127.914  266.447  122.302   13.744   4.3092   15.601   4.0150 -1.857207 5.889749 
1 1 1  -10    2   32 o   13.637   3.1453  200.694   96.359  158.761  131.156  249.875  142.037   12.398   4.3753   14.876   4.5197 -2.477582 6.290516 
1 1 1  -10    2   33 o   39.354   1.5125  1563.53  115.461  1512.00  164.376  1613.72  162.219   38.678   2.1893   40.030   2.0876 -1.352055 3.025084 
1 1 1  -10    2   34 o   16.606   3.3007  343.539  110.314  337.227  169.435  348.184  145.338   16.258   4.9356   16.954   4.3838 -0.6952972 6.601346 
1 1 1  -10    3    1 o  305.389   1.5913 90524.34  939.382 90808.71  1395.00 90288.41  1270.66  305.823   2.3498  304.955   2.1465 0.8686218 3.182637 
1 1 1  -10    3    2 o  203.480   1.2413 40194.14  490.304 40292.36  694.072 40096.29  692.720  203.728   1.7550  203.232   1.7559 0.4963379 2.482612 
1 1 1  -10    3    3 o  367.261   1.8334 131073.41  1304.27 129283.10  1900.96 132665.91  1792.82  364.884   2.6838  369.638   2.4986 -4.754059 3.666862 
1 1 1  -10    3    4 o  348.161   1.7789 117584.60  1182.25 117077.40  1536.48 118320.70  1851.02  347.254   2.2794  349.068   2.7317 -1.813995 3.557781 
1 1 1  -10    3    5 o  505.916   2.1131 248317.59  2072.40 253145.00  3021.61 244029.70  2847.74  510.548   3.0489  501.284   2.9265 9.264282 4.226117 
1 1 1  -10    3    6 o  301.493   1.5181 88252.48  888.493 88291.50  1257.30 88213.55  1255.74  301.560   2.1478  301.427   2.1461 0.1330566 3.036276 
1 1 1  -10    3    7 o  166.807   1.1071 27010.76  358.481 26891.53  505.708 27131.19  508.239  166.437   1.5653  167.177   1.5661 -0.7400055 2.214215 
1 1 1  -10    3    8 o  277.925   1.4784 74994.73  797.617 75271.34  1130.84 74720.88  1125.18  278.435   2.0923  277.415   2.0894 1.019836 2.956893 
1 1 1  -10    3    9 f   48.959   0.6873  2320.53   65.176  2413.37   96.099  2241.46   88.690   49.863   0.9928   48.054   0.9508 1.808605 1.374665 
1 1 1  -10    3   10 o  169.570   1.3748 27901.73  452.410 28682.36  648.717 27162.57  631.250  171.878   1.9443  167.263   1.9442 4.615631 2.749593 
1 1 1  -10    3   11 o   69.029   0.8458  4623.12  113.288  4700.88  163.182  4550.77  157.400   69.589   1.2080   68.469   1.1843 1.119926 1.691661 
1 1 1  -10    3   12 o  100.984   1.0960  9900.05  214.802  9645.65  302.709 10158.06  304.854   99.677   1.5645  102.291   1.5353 -2.613800 2.191946 
1 1 1  -10    3   13 o   75.692   1.7673  5682.02  182.440  5730.64  197.654  5402.13  474.196   76.831   1.3253   74.553   3.2766 2.278152 3.534514 
1 1 1  -10    3   14 o  214.073   2.0209 44518.25  839.614 43667.18  1172.75 45413.20  1202.60  211.976   2.8501  216.171   2.8659 -4.194839 4.041796 
1 1 1  -10    3   15 o  153.980   2.0683 23054.51  617.995 23072.19  886.204 23037.76  862.241  154.034   2.9638  153.926   2.8857 0.1073761 4.136609 
1 1 1  -10    3   16 o  126.029   1.7908 15629.35  366.125 15094.61  764.122 15788.70  417.125  124.559   3.1603  127.499   1.6854 -2.940216 3.581567 
1 1 1  -10    3   17 o   97.438   1.8659  9390.84  260.772  8997.00  638.432  9469.70  285.690   96.129   3.4213   98.746   1.4904 -2.617920 3.731887 
1 1 1  -10    3   18 o  157.577   1.7982 23780.50  484.017 24956.48  955.502 23374.58  561.371  160.068   3.0751  155.085   1.8647 4.982697 3.596319 
1 1 1  -10    3   19 o  117.432   1.1955 13397.78  272.466 13073.82  382.186 13732.61  388.544  115.988   1.6975  118.876   1.6838 -2.887589 2.390903 
1 1 1  -10    3   20 o   22.275   1.5330  485.244   65.541  398.301   91.932  575.111   93.465   20.230   2.3410   24.319   1.9799 -4.088284 3.065954 
1 1 1  -10    3   21 o   44.096   0.9570  1892.42   81.775  1821.81  117.785  1958.12  113.620   43.299   1.4014   44.893   1.3038 -1.594265 1.914080 
1 1 1  -10    3   22 f  125.327   1.2863 15277.95  312.908 15223.80  444.812 15331.00  440.261  125.105   1.8316  125.549   1.8065 -0.4433517 2.572590 
1 1 1  -10    3   23 o  108.654   1.2240 11474.91  258.054 11065.39  359.576 11909.83  370.559  106.656   1.7368  110.652   1.7252 -3.996483 2.447970 
1 1 1  -10    3   24 o   54.798   1.0182  2920.09  108.149  2917.46  157.229  2922.46  148.995   54.771   1.4788   54.824   1.4000 -0.5255508E-01 2.036415 
1 1 1  -10    3   25 o   90.490   1.1420  7969.53  200.567  7784.83  282.752  8156.58  284.544   89.433   1.6287   91.548   1.6012 -2.114738 2.283947 
1 1 1  -10    3   26 o   63.500   1.0478  3921.04  129.038  3985.07  187.161  3863.02  178.148   63.991   1.5067   63.009   1.4565 0.9820099 2.095615 
1 1 1  -10    3   27 o   85.631   1.2026  7146.54  199.867  6972.54  280.361  7326.37  285.007   84.570   1.7078   86.693   1.6936 -2.122452 2.405161 
1 1 1  -10    3   28 o   38.849   1.2777  1475.12   96.342  1471.08  135.049  1479.32  137.479   38.797   1.7932   38.902   1.8206 -0.1043854 2.555380 
1 1 1  -10    3   29 o   30.050   1.6340  880.195   94.603  813.350  124.835  970.375  144.997   28.739   2.2377   31.361   2.3818 -2.621778 3.268079 
1 1 1  -10    3   30 o   25.549   1.8296  649.805   90.738  650.410  128.755  649.207  127.896   25.559   2.5951   25.539   2.5798 0.1986122E-01 3.659195 
1 1 1  -10    3   31 o   22.981   2.0564  540.312   91.036  485.827  131.976  589.768  125.739   21.791   3.1200   24.172   2.6797 -2.381590 4.112846 
1 1 1  -10    3   32 o   49.671   1.2725  2449.64  122.346  2670.73  173.624  2231.58  172.428   51.944   1.7219   47.397   1.8741 4.547070 2.545016 
1 1 1  -10    3   33 o   17.244   3.1818  351.041  108.631  410.789  154.688  292.904  152.589   18.815   4.3257   15.673   4.6673 3.142475 6.363598 
1 1 1  -10    3   34 o   34.023   1.7429  1199.11  114.753  1175.67  167.851  1219.69  157.240   33.617   2.5722   34.430   2.3527 -0.8126717 3.485850 
1 1 1  -10    4    1 o  313.116   1.6142 95202.19  977.210 95041.68  1447.36 95336.66  1324.73  312.868   2.3831  313.363   2.1778 -0.4943848 3.228334 
1 1 1  -10    4    2 o  236.811   1.3555 54442.47  623.124 54413.93  880.943 54471.06  881.519  236.749   1.9169  236.873   1.9171 -0.1242371 2.711055 
1 1 1  -10    4    3 o  176.294   1.1612 30170.43  397.372 29928.00  561.332 30413.97  562.609  175.584   1.6469  177.004   1.6374 -1.419998 2.322380 
1 1 1  -10    4    4 o  325.715   1.6330 102978.60  1028.07 102723.30  1390.37 103286.50  1527.05  325.274   2.2020  326.155   2.4119 -0.8804932 3.265903 
1 1 1  -10    4    5 o  352.705   1.9248 120795.40  1317.80 120220.40  1854.42 121381.90  1873.02  351.858   2.7150  353.553   2.7291 -1.694794 3.849614 
1 1 1  -10    4    6 o  201.421   1.2437 39385.38  486.257 39361.51  685.414 39409.59  689.951  201.359   1.7535  201.482   1.7641 -0.1226807 2.487339 
1 1 1  -10    4    7 o  180.833   1.1807 31745.36  414.453 31762.09  585.500 31728.55  586.751  180.881   1.6675  180.785   1.6720 0.9561157E-01 2.361370 
1 1 1  -10    4    8 o  176.907   1.1638 30381.35  399.651 30560.81  566.546 30203.60  563.847  177.427   1.6449  176.387   1.6468 1.040039 2.327585 
1 1 1  -10    4    9 o  185.326   1.3865 33341.52  498.767 32951.85  700.594 33741.98  710.230  184.228   1.9590  186.424   1.9626 -2.195526 2.773029 
1 1 1  -10    4   10 o  270.845   1.6549 71230.60  870.037 71588.84  1235.53 70878.23  1225.37  271.521   2.3441  270.170   2.3365 1.350555 3.309717 
1 1 1  -10    4   11 o  218.323   1.5208 46283.21  644.534 46421.27  912.925 46145.99  910.100  218.648   2.1509  217.998   2.1507 0.6492615 3.041676 
1 1 1  -10    4   12 o  301.764   1.7540 88415.70  1027.29 87040.87  1438.68 89845.89  1467.37  299.372   2.4756  304.157   2.4853 -4.784882 3.507916 
1 1 1  -10    4   13 o  349.140   1.9884 118035.30  1334.12 115701.70  1758.19 121202.60  2048.32  345.109   2.6245  353.171   2.9878 -8.061584 3.976780 
1 1 1  -10    4   14 o  230.411   2.0396 51595.85  912.191 51592.19  1282.75 51599.60  1297.44  230.405   2.8680  230.418   2.9007 -0.1310730E-01 4.079195 
1 1 1  -10    4   15 o  132.130   2.0914 16977.04  536.405 16841.96  756.744 17113.45  760.453  131.602   2.9623  132.659   2.9531 -1.057220 4.182761 
1 1 1  -10    4   16 o  195.192   1.7427 36792.43  606.706 37640.79  1108.75 36429.84  724.855  196.733   2.9033  193.651   1.9283 3.082077 3.485310 
1 1 1  -10    4   17 o   62.235   2.6695  4449.95  163.496  3042.90  561.264  4580.42  170.908   55.788   5.1827   68.681   1.2819 -12.89301 5.338929 
1 1 1  -10    4   18 o   24.140   3.8942  786.186   82.043  222.102  422.687  808.270   83.634   19.435   7.6439   28.845   1.4936 -9.410429 7.788467 
1 1 1  -10    4   19 o  224.917   1.4929 49193.20  651.773 49473.87  925.548 48917.10  917.990  225.552   2.1139  224.281   2.1085 1.271637 2.985722 
1 1 1  -10    4   20 o   10.812   2.4649  109.915   60.474   70.411   89.650  142.899   81.919   9.6759   3.5884   11.948   3.3804 -2.271629 4.929889 
1 1 1  -10    4   21 o   56.637   0.9250  3118.13  101.589  3081.30  146.564  3152.18  140.937   56.314   1.3408   56.961   1.2746 -0.6470184 1.849952 
1 1 1  -10    4   22 o   67.691   1.0062  4458.87  132.006  4326.69  190.344  4581.36  183.229   66.720   1.4697   68.662   1.3747 -1.941498 2.012397 
1 1 1  -10    4   23 o   33.257   1.1753  1074.48   75.657  1090.79  111.651  1060.64  102.876   33.487   1.7176   33.026   1.6047 0.4614487 2.350574 
1 1 1  -10    4   24 o  140.904   1.3764 19336.93  376.472 19538.80  533.379 19136.51  531.449  141.639   1.9399  140.170   1.9532 1.469040 2.752867 
1 1 1  -10    4   25 o   43.216   1.1478  1812.09   96.063  1898.04  141.901  1739.37  130.518   44.157   1.6555   42.276   1.5904 1.881187 2.295670 
1 1 1  -10    4   26 o   29.015   1.4951  808.107   83.204  1008.76  126.084  653.317  110.740   32.161   2.0196   25.870   2.2052 6.290993 2.990285 
1 1 1  -10    4   27 o   57.579   1.0836  3229.49  121.090  3230.69  173.076  3228.34  169.476   57.588   1.5483   57.571   1.5165 0.1662827E-01 2.167216 
1 1 1  -10    4   28 o   25.937   1.8538  664.942   92.951  630.458  135.432  695.650  127.804   25.278   2.7600   26.595   2.4756 -1.317163 3.707581 
1 1 1  -10    4   29 o   51.717   1.1906  2621.19  119.086  2661.71  162.323  2573.96  175.246   52.171   1.6028   51.263   1.7611 0.9070663 2.381264 
1 1 1  -10    4   30 o   64.484   1.1571  4078.93  144.793  4012.81  206.170  4143.28  203.396   63.958   1.6606   65.009   1.6118 -1.051361 2.314167 
1 1 1  -10    4   31 o   33.156   1.4726  1091.83   94.709  1123.14  137.193  1063.32  130.906   33.602   2.1033   32.711   2.0616 0.8914948 2.945174 
1 1 1  -10    4   32 o   24.885   2.0379  633.711   98.035  560.374  135.885  713.316  141.573   23.330   3.0005   26.440   2.7584 -3.109354 4.075753 
1 1 1  -10    4   33 o   11.870   3.1883  131.922  103.876   68.868  143.327  201.684  150.759   10.400   4.3175   13.340   4.6927 -2.939613 6.376637 
1 1 1  -10    4   34 o   15.049   3.2627  279.711  104.266  304.882  152.930  257.846  142.529   15.621   4.6772   14.477   4.5503 1.143875 6.525445 
1 1 1  -10    5    1 o   79.603   0.6481  6149.83  100.138  6094.37  140.564  6206.97  142.692   79.238   0.9138   79.967   0.9192 -0.7286301 1.296187 
1 1 1  -10    5    2 o   72.408   0.6244  5086.02   87.713  5007.98  121.640  5170.55  126.598   71.830   0.8724   72.986   0.8936 -1.156441 1.248794 
1 1 1  -10    5    3 o  429.151   2.0073 178843.80  1672.22 178478.30  2359.34 179212.80  2370.47  428.711   2.8350  429.592   2.8426 -0.8805847 4.014693 
1 1 1  -10    5    4 o  330.978   1.7541 106342.60  1106.73 106493.90  1738.17 106239.50  1435.28  331.164   2.7039  330.793   2.2352 0.3712463 3.508124 
1 1 1  -10    5    5 o  163.602   1.1059 25980.39  351.211 25732.69  493.937 26233.69  499.484  162.813   1.5628  164.391   1.5652 -1.577240 2.211889 
1 1 1  -10    5    6 o  449.821   2.0468 196490.30  1787.09 195499.59  2508.81 197510.91  2546.25  448.671   2.8805  450.971   2.9086 -2.299530 4.093608 
1 1 1  -10    5    7 f  106.100   0.8215 10924.08  169.152 10788.84  236.132 11066.61  242.425  105.426   1.1538  106.774   1.1696 -1.348396 1.642967 
1 1 1  -10    5    8 o  189.289   1.1939 34784.14  438.700 34840.42  621.044 34728.09  619.789  189.442   1.6888  189.136   1.6881 0.3056183 2.387855 
1 1 1  -10    5    9 o  336.961   1.7714 110258.50  1158.68 110324.10  1638.44 110192.90  1638.81  337.061   2.5041  336.861   2.5062 0.2006836 3.542826 
1 1 1  -10    5   10 o  281.159   1.6733 76753.06  913.162 77511.06  1302.04 76019.33  1281.03  282.525   2.3741  279.794   2.3586 2.730957 3.346561 
1 1 1  -10    5   11 o  172.558   1.4274 28911.64  478.144 28938.29  677.224 28885.15  675.176  172.637   2.0208  172.479   2.0166 0.1584167 2.854893 
1 1 1  -10    5   12 o   66.495   0.8526  4293.20  109.921  4270.98  159.247  4313.43  151.916   66.330   1.2368   66.660   1.1740 -0.3293076 1.705277 
1 1 1  -10    5   13 o  121.110   1.7608 14645.14  365.975 15131.25  431.087 13390.59  692.534  124.833   1.7790  117.386   3.0392 7.446617 3.521571 
1 1 1  -10    5   14 o   71.267   2.3161  4940.20  320.269  4797.17  454.476  5081.29  451.396   70.239   3.3332   72.294   3.2165 -2.054619 4.632122 
1 1 1  -10    5   15 o   69.604   2.5963  4716.87  350.742  4619.89  495.844  4813.99  496.205   68.886   3.7081   70.322   3.6350 -1.436363 5.192579 
1 1 1  -10    5   16 o   51.142   2.4308  2538.19  114.760  2554.26  468.092  2537.17  118.372   51.166   4.7129   51.119   1.1929 0.4633331E-01 4.861533 
1 1 1  -10    5   17 o   79.341   1.9217  6171.09  192.881  6058.42  552.107  6186.75  205.852   78.863   3.6065   79.819   1.3286 -0.9557571 3.843403 
1 1 1  -10    5   18 o  105.198   1.8041 10579.17  280.737 11062.42  675.701 10478.35  308.636  106.539   3.2672  103.856   1.5309 2.683380 3.608110 
1 1 1  -10    5   19 o  140.751   1.3188 19255.79  360.302 19383.52  513.654 19132.05  505.531  141.209   1.8739  140.292   1.8563 0.9169312 2.637671 
1 1 1  -10    5   20 o   41.133   0.9759  1645.05   77.853  1574.03  110.554  1714.92  109.652   40.251   1.4149   42.016   1.3444 -1.764851 1.951800 
1 1 1  -10    5   21 o   81.784   1.0579  6497.97  167.838  6570.25  242.413  6431.43  232.608   82.218   1.5189   81.349   1.4730 0.8698273 2.115839 
1 1 1  -10    5   22 o   98.634   1.1357  9458.53  217.438  9439.25  308.236  9477.62  306.777   98.534   1.6115   98.735   1.6006 -0.2012329 2.271332 
1 1 1  -10    5   23 o   44.696   1.0394  1945.06   89.972  1892.20  130.744  1992.61  124.004   44.115   1.5267   45.276   1.4109 -1.161133 2.078852 
1 1 1  -10    5   24 o   61.604   1.0191  3691.97  121.735  3658.59  175.911  3722.64  168.638   61.334   1.4775   61.874   1.4040 -0.5405197 2.038212 
1 1 1  -10    5   25 o   50.387   1.0356  2469.58  101.128  2476.52  147.341  2463.39  139.051   50.451   1.5045   50.323   1.4234 0.1274452 2.071162 
1 1 1  -10    5   26 o   26.427   1.6738  684.162   85.583  655.622  124.528  709.709  117.817   25.895   2.4774   26.959   2.2513 -1.064167 3.347503 
1 1 1  -10    5   27 o   26.501   1.6750  686.718   86.095  709.741  124.983  665.928  118.768   26.921   2.3916   26.081   2.3459 0.8397846 3.350053 
1 1 1  -10    5   28 o  112.138   1.3988 12313.17  304.408 12020.42  431.533 12603.14  429.469  110.797   2.0064  113.479   1.9496 -2.681610 2.797626 
1 1 1  -10    5   29 o   36.404   1.4438  1295.06  101.723  1208.71  137.522  1399.39  151.161   35.077   2.0197   37.732   2.0638 -2.655518 2.887623 
1 1 1  -10    5   30 f   35.276   1.4413  1226.72   98.591  1245.89  143.163  1209.43  135.973   35.527   2.0759   35.024   1.9999 0.5026512 2.882559 
1 1 1  -10    5   31 o   23.537   2.0024  559.572   91.260  603.403  134.858  522.543  123.953   24.376   2.8500   22.697   2.8134 1.679163 4.004701 
1 1 1  -10    5   32 o   28.984   1.7639  849.518   99.210  867.850  142.549  832.298  138.161   29.281   2.5080   28.687   2.4810 0.5934029 3.527808 
1 1 1  -10    5   33 o   13.537   3.2081  201.843  102.606  125.893  140.015  289.941  150.798   11.484   4.4324   15.590   4.6392 -4.106453 6.416247 
1 1 1  -10    5   34 o   18.315   3.0738  409.228  109.792  301.465  155.359  516.744  155.180   15.481   4.7320   21.149   3.9244 -5.668344 6.147544 
1 1 1  -10    6    1 o  189.860   1.1887 34990.10  438.072 35291.63  623.031 34695.25  616.082  190.669   1.6833  189.051   1.6788 1.617783 2.377366 
1 1 1  -10    6    2 o   74.731   0.7312  5423.94  102.157  5409.42  168.893  5432.31  128.284   74.652   1.1655   74.811   0.8834 -0.1591492 1.462429 
1 1 1  -10    6    3 o  293.628   1.4983 83702.25  853.984 84432.27  1211.98 82982.42  1203.49  294.900   2.1172  292.357   2.1206 2.543091 2.996585 
1 1 1  -10    6    4 o  273.574   1.4524 72661.84  771.309 72779.66  1089.56 72543.48  1092.04  273.797   2.0500  273.352   2.0580 0.4449463 2.904830 
1 1 1  -10    6    5 o  295.471   1.5893 84768.94  906.701 84806.92  1220.99 84722.26  1353.81  295.550   2.1282  295.392   2.3610 0.1579895 3.178605 
1 1 1  -10    6    6 o  383.170   1.9046 142594.50  1412.14 142344.20  2080.93 142808.09  1922.59  382.850   2.8000  383.490   2.5827 -0.6396790 3.809243 
1 1 1  -10    6    7 o  418.175   1.9410 169850.50  1571.30 170169.80  2145.64 169481.20  2307.50  418.608   2.6405  417.742   2.8456 0.8658142 3.881926 
1 1 1  -10    6    8 o   53.884   0.6148  2798.77   60.613  2876.41  105.757  2760.79   73.967   54.437   1.0008   53.332   0.7145 1.104294 1.229672 
1 1 1  -10    6    9 o  137.447   1.2555 18335.20  334.920 18739.29  478.327 17946.54  469.104  138.933   1.7736  135.962   1.7774 2.970581 2.510941 
1 1 1  -10    6   10 o  218.160   1.5521 46213.78  657.301 46393.91  931.691 46035.30  927.450  218.584   2.1958  217.737   2.1943 0.8463745 3.104245 
1 1 1  -10    6   11 o  150.954   1.3411 22124.43  392.982 22175.67  556.000 22073.27  555.521  151.129   1.8952  150.780   1.8980 0.3494110 2.682208 
1 1 1  -10    6   12 o   63.406   0.8354  3905.45  102.598  3857.77  149.604  3947.79  140.970   63.040   1.2225   63.772   1.1388 -0.7320023 1.670746 
1 1 1  -10    6   13 o  117.011   1.7007 13028.33  325.013 12805.66  368.823 13802.13  687.544  114.843   1.6544  119.179   2.9719 -4.335976 3.401387 
1 1 1  -10    6   14 o  145.519   2.0742 20596.73  585.450 20146.22  839.041 21024.19  817.289  143.962   3.0024  147.076   2.8627 -3.113632 4.148403 
1 1 1  -10    6   15 o  186.963   1.7182 33894.91  566.674 34159.41  1051.77 33786.73  672.653  187.423   2.8909  186.502   1.8580 0.9207764 3.436487 
1 1 1  -10    6   16 o  170.403   1.7925 28169.53  529.887 28351.73  1010.65 28100.46  622.276  170.725   3.0496  170.082   1.8848 0.6432800 3.584995 
1 1 1  -10    6   17 o   53.692   2.4998  3149.85  128.194  2434.24  470.363  3207.27  133.238   49.911   4.8548   57.473   1.1943 -7.561760 4.999556 
1 1 1  -10    6   18 o  128.379   1.8118 15718.08  370.021 16599.94  811.201 15486.39  415.797  130.514   3.2019  126.244   1.6967 4.270317 3.623648 
1 1 1  -10    6   19 o   81.870   2.4462  6962.35  229.979  6027.18  710.466  7071.81  243.065   78.421   4.6671   85.318   1.4676 -6.896111 4.892384 
1 1 1  -10    6   20 o   77.412   0.9958  5826.50  149.464  5718.73  215.465  5926.46  207.506   76.720   1.4468   78.105   1.3686 -1.385185 1.991567 
1 1 1  -10    6   21 o   94.745   1.0998  8729.40  202.150  8578.44  289.282  8873.46  282.602   93.941   1.5864   95.548   1.5237 -1.607323 2.199563 
1 1 1  -10    6   22 o   74.943   1.0239  5453.12  148.645  5542.51  218.187  5375.70  203.058   75.513   1.4885   74.373   1.4065 1.139183 2.047875 
1 1 1  -10    6   23 o   85.315   1.0815  7073.46  179.062  7228.73  256.909  6926.77  249.707   86.224   1.5349   84.405   1.5240 1.819000 2.163029 
1 1 1  -10    6   24 o   67.595   1.0083  4429.32  132.051  4660.82  194.310  4230.66  180.008   69.229   1.4459   65.961   1.4059 3.268509 2.016692 
1 1 1  -10    6   25 o   17.857   2.3517  325.324   78.588  269.109  116.273  372.604  106.632   16.207   3.7674   19.508   2.8159 -3.300659 4.703441 
1 1 1  -10    6   26 o   45.031   1.1679  1976.52  101.999  1906.40  145.532  2044.22  142.998   44.242   1.6946   45.821   1.6077 -1.579296 2.335861 
1 1 1  -10    6   27 o  114.036   1.4055 12705.93  310.710 12621.69  450.403 12782.42  429.185  113.656   2.0415  114.417   1.9324 -0.7609711 2.810987 
1 1 1  -10    6   28 o   39.250   1.3308  1507.07  101.390  1529.50  143.723  1484.85  143.053   39.543   1.8724   38.958   1.8916 0.5845947 2.661581 
1 1 1  -10    6   29 o   78.443   1.2197  6022.69  185.657  6155.86  266.809  5897.68  258.506   79.280   1.7337   77.607   1.7160 1.673210 2.439303 
1 1 1  -10    6   30 o   55.087   1.1566  2974.52  123.305  3009.72  182.081  2944.71  167.579   55.366   1.6942   54.808   1.5751 0.5586891 2.313257 
1 1 1  -10    6   31 o   14.399   2.7002  189.826   91.551  420.518  138.989   13.027  121.676   19.760   3.7609   9.0386   3.8754 10.72136 5.400312 
1 1 1  -10    6   32 o   13.125   3.0246  177.774   93.943  275.375  135.484   87.396  130.373   15.586   4.3254   10.664   4.2289 4.922565 6.049203 
1 1 1  -10    6   33 o   17.019   3.1629  342.647  105.855  335.753  152.861  348.999  146.730   16.791   4.5683   17.247   4.3757 -0.4561825 6.325833 
1 1 1  -10    6   34 o   12.470   3.2212  164.717  112.206   28.519  164.931  282.069  153.095   9.9618   4.3879   14.978   4.7172 -5.016661 6.442479 
1 1 1  -10    7    1 o  123.877   0.9099 14895.80  218.811 14886.55  309.785 14905.00  309.105  123.839   1.2887  123.915   1.2850 -0.7674408E-01 1.819884 
1 1 1  -10    7    2 o  141.314   0.9885 19384.57  271.162 19303.69  383.127 19465.75  383.837  141.018   1.3996  141.609   1.3963 -0.5907288 1.977026 
1 1 1  -10    7    3 o  296.128   1.5794 85109.27  903.606 85457.06  1346.35 84824.21  1218.92  296.674   2.3378  295.582   2.1244 1.091400 3.158860 
1 1 1  -10    7    4 o  273.000   1.4463 72356.90  766.438 72481.49  1084.19 72232.42  1083.62  273.234   2.0441  272.765   2.0466 0.4699402 2.892544 
1 1 1  -10    7    5 o  121.996   1.1340 14457.38  251.530 14475.05  306.217 14420.73  441.019  122.115   1.2918  121.878   1.8641 0.2369995 2.267955 
1 1 1  -10    7    6 o  158.431   1.0809 24366.30  332.413 24379.77  469.193 24352.72  471.017  158.475   1.5252  158.387   1.5320 0.8805847E-01 2.161757 
1 1 1  -10    7    7 o  360.402   1.8724 126036.40  1303.85 127178.60  1943.68 125101.90  1758.10  361.877   2.7669  358.928   2.5233 2.948792 3.744739 
1 1 1  -10    7    8 o  257.535   1.5222 64395.13  755.683 64417.18  1138.05 64377.74  1010.65  257.569   2.2762  257.502   2.0219 0.6771851E-01 3.044487 
1 1 1  -10    7    9 o  125.642   1.1765 15298.12  286.653 15950.81  416.672 14711.64  394.974  128.181   1.6746  123.102   1.6529 5.079292 2.352909 
1 1 1  -10    7   10 o   83.278   0.9659  6723.82  156.006  6934.11  226.426  6533.77  215.251   84.516   1.3801   82.040   1.3516 2.475716 1.931744 
1 1 1  -10    7   11 o  218.677   1.5710 46432.03  666.838 47130.00  946.483 45744.09  939.657  220.309   2.2132  217.045   2.2303 3.264145 3.142000 
1 1 1  -10    7   12 o  176.507   1.4174 30251.11  485.636 30416.97  690.209 30088.49  683.428  176.986   2.0090  176.028   2.0001 0.9578857 2.834838 
1 1 1  -10    7   13 o  176.307   1.7399 29971.78  564.214 29509.40  692.010 30888.63  974.458  174.316   2.0451  178.298   2.8155 -3.981537 3.479830 
1 1 1  -10    7   14 o  127.017   2.1106 15685.83  519.758 15634.38  753.179 15732.61  718.167  126.813   3.0596  127.221   2.9080 -0.4078903 4.221139 
1 1 1  -10    7   15 o   88.275   1.8418  7413.31  214.003  7797.66  594.984  7356.20  229.352   89.510   3.4243   87.039   1.3574 2.470726 3.683514 
1 1 1  -10    7   16 o  154.094   1.7363 23035.62  459.655 23173.39  890.260 22985.55  536.730  154.357   2.9712  153.831   1.7974 0.5255127 3.472531 
1 1 1  -10    7   17 o  137.427   1.7648 18248.35  406.806 18596.65  819.934 18134.62  468.541  138.228   3.0557  136.626   1.7666 1.601700 3.529673 
1 1 1  -10    7   18 o  119.005   1.7910 13730.77  335.869 13867.75  737.758 13694.96  377.228  119.288   3.1860  118.721   1.6369 0.5671158 3.581918 
1 1 1  -10    7   19 o   24.595   3.8083  685.576   77.719  478.618  380.003  694.611   79.398   22.453   7.4613   26.738   1.5298 -4.284634 7.616545 
1 1 1  -10    7   20 o   89.837   1.0499  7841.98  183.037  7842.07  262.154  7841.90  255.674   89.836   1.5033   89.838   1.4661 -0.1518250E-02 2.099822 
1 1 1  -10    7   21 f   67.692   0.9851  4430.95  129.038  4721.99  192.048  4191.42  174.226   69.707   1.4193   65.677   1.3666 4.030014 1.970243 
1 1 1  -10    7   22 o   59.054   0.9654  3379.18  110.473  3549.42  162.314  3232.27  150.787   60.435   1.3836   57.673   1.3469 2.761276 1.930891 
1 1 1  -10    7   23 o   90.844   1.1232  8028.77  197.988  7850.20  282.051  8202.23  277.988   89.844   1.6172   91.843   1.5592 -1.998817 2.246480 
1 1 1  -10    7   24 o   47.443   1.0434  2192.48   95.583  2155.20  142.071  2223.30  129.193   47.069   1.5549   47.818   1.3918 -0.7485619 2.086851 
1 1 1  -10    7   25 o   75.224   1.0872  5511.85  158.582  5366.39  227.619  5649.06  221.063   74.253   1.5792   76.195   1.4946 -1.941597 2.174302 
1 1 1  -10    7   26 f  100.130   1.2824  9770.62  248.820  9770.42  362.859  9770.81  341.849  100.117   1.8671  100.143   1.7585 -0.2624512E-01 2.564852 
1 1 1  -10    7   27 o   40.256   1.2903  1564.67  100.159  1728.32  152.797  1441.38  132.628   42.077   1.8707   38.436   1.7776 3.640453 2.580580 
1 1 1  -10    7   28 o   69.471   1.1450  4710.83  154.296  4744.76  222.913  4679.63  213.789   69.704   1.6475   69.238   1.5906 0.4656296 2.290041 
1 1 1  -10    7   29 o   67.218   1.1476  4419.04  149.706  4508.36  214.439  4334.11  209.096   67.879   1.6274   66.557   1.6184 1.321739 2.295156 
1 1 1  -10    7   30 o   72.320   1.1666  5136.11  163.691  5017.59  233.212  5251.20  229.814   71.482   1.6807   73.158   1.6183 -1.676056 2.333129 
1 1 1  -10    7   31 o   15.150   2.8600  256.480   89.771  158.746  131.072  342.833  123.204   12.479   4.3764   17.821   3.6831 -5.342272 5.719977 
1 1 1  -10    7   32 o   23.772   2.1681  587.095   99.525  550.949  145.021  619.276  136.835   22.987   3.2501   24.558   2.8704 -1.571255 4.336126 
1 1 1  -10    7   33 o   16.665   3.2759  330.671  109.438  360.177  163.344  306.638  147.415   17.276   4.7315   16.054   4.5320 1.221935 6.551858 
1 1 1  -10    7   34 o   20.182   2.8941  499.886  112.873  264.785  161.376  725.061  157.932   14.447   4.8630   25.918   3.1391 -11.47035 5.788213 
1 1 1  -10    8    1 o  354.008   1.7692 121669.70  1185.16 121612.00  1515.35 121760.80  1901.89  353.916   2.2057  354.100   2.7669 -0.1837769 3.538482 
1 1 1  -10    8    2 o  104.972   0.8238 10700.64  167.642 10789.52  231.682 10602.97  242.876  105.430   1.1320  104.514   1.1971 0.9159622 1.647620 
1 1 1  -10    8    3 o  211.574   1.2771 43451.27  524.479 42964.95  736.701 43951.09  746.852  210.374   1.8040  212.775   1.8082 -2.400467 2.554214 
1 1 1  -10    8    4 o   86.388   0.7032  7242.29  117.914  7350.00  168.344  7138.56  165.212   87.018   0.9966   85.758   0.9924 1.260742 1.406463 
1 1 1  -10    8    5 o  295.974   1.5076 85037.95  866.096 84147.46  1213.78 85961.68  1236.22  294.396   2.1239  297.552   2.1403 -3.155914 3.015268 
1 1 1  -10    8    6 o  128.166   0.9344 15942.67  232.446 15707.19  326.139 16185.78  331.380  127.205   1.3208  129.128   1.3220 -1.923378 1.868757 
1 1 1  -10    8    7 f  333.573   1.6781 108000.90  1081.99 107562.00  1462.92 108530.80  1607.64  332.832   2.2643  334.314   2.4772 -1.482330 3.356142 
1 1 1  -10    8    8 o  198.461   1.3574 38209.57  516.458 38430.21  796.615 38049.59  678.326  198.951   2.0627  197.972   1.7651 0.9787292 2.714838 
1 1 1  -10    8    9 o  107.456   1.0606 11209.93  221.213 11135.38  313.780 11283.59  311.914  107.101   1.5093  107.812   1.4904 -0.7106552 2.121130 
1 1 1  -10    8   10 o  218.676   1.9031 46441.55  807.831 46985.73  1147.59 45907.03  1137.37  219.945   2.6879  217.406   2.6950 2.539810 3.806289 
1 1 1  -10    8   11 o  267.496   1.6656 69484.44  864.868 69847.73  1226.05 69124.63  1220.19  268.192   2.3550  266.800   2.3560 1.391907 3.331202 
1 1 1  -10    8   12 o  277.461   1.7066 74752.78  919.038 73494.38  1286.73 76063.28  1313.10  275.078   2.4097  279.844   2.4172 -4.765564 3.413176 
1 1 1  -10    8   13 o   49.448   2.0044  2313.91  105.616  2302.02  110.103  2450.98  373.803   48.696   1.1648   50.200   3.8360 -1.503738 4.008895 
1 1 1  -10    8   14 o   40.501   2.4169  1710.03   83.301  1471.99  355.997  1723.81   85.679   38.863   4.7189   42.139   1.0474 -3.275841 4.833783 
1 1 1  -10    8   15 o  112.382   1.7587 12469.93  308.500 11950.75  677.521 12605.72  346.505  110.834   3.1491  113.930   1.5668 -3.097061 3.517330 
1 1 1  -10    8   16 o   69.229   1.9063  4418.71  152.358  4966.98  500.385  4362.69  159.953   71.426   3.6090   67.032   1.2293 4.393951 3.812585 
1 1 1  -10    8   17 o   49.999   2.3197  2327.66  106.937  2558.94  446.260  2313.56  110.146   51.185   4.4914   48.813   1.1624 2.372791 4.639349 
1 1 1  -10    8   18 o  120.258   2.0322 14725.88  376.677 13032.95  823.249 15174.14  423.621  115.559   3.6700  124.957   1.7464 -9.398201 4.064307 
1 1 1  -10    8   19 o  111.483   1.9393 12125.96  321.340 12072.54  759.290 12137.61  354.668  111.207   3.5173  111.758   1.6348 -0.5506439 3.878674 
1 1 1  -10    8   20 o   67.824   0.9512  4473.24  125.073  4364.12  180.067  4574.97  173.856   67.022   1.3840   68.626   1.3051 -1.603706 1.902318 
1 1 1  -10    8   21 o  101.601   1.1398 10035.98  224.777  9958.76  319.613 10111.55  316.181  101.212   1.6268  101.989   1.5970 -0.7764435 2.279677 
1 1 1  -10    8   22 o   63.351   0.9720  3909.13  119.157  3767.31  173.607  4035.44  163.844   62.258   1.4365   64.443   1.3097 -2.184959 1.943958 
1 1 1  -10    8   23 o  113.976   1.2487 12639.66  276.206 12591.92  394.370 12685.61  386.964  113.761   1.7858  114.190   1.7457 -0.4286575 2.497362 
1 1 1  -10    8   24 o   58.065   0.9925  3249.27  111.063  3512.83  169.775  3052.11  146.844   60.101   1.4552   56.029   1.3501 4.071983 1.985074 
1 1 1  -10    8   25 o   42.070   1.1682  1731.74   94.697  1641.96  140.608  1806.27  128.106   41.058   1.7642   43.082   1.5318 -2.023983 2.336408 
1 1 1  -10    8   26 o   82.172   1.1572  6585.43  184.236  6388.67  266.528  6765.47  254.955   80.985   1.6954   83.360   1.5756 -2.374481 2.314488 
1 1 1  -10    8   27 o  101.463   1.3317 10054.13  261.798 10026.06  381.737 10079.07  359.719  101.310   1.9411  101.616   1.8236 -0.3056335 2.663353 
1 1 1  -10    8   28 o   22.662   2.0373  504.775   88.735  530.840  136.755  485.821  116.618   23.139   3.0446   22.185   2.7079 0.9540901 4.074637 
1 1 1  -10    8   29 o   65.622   1.1537  4211.88  146.870  4278.50  212.163  4150.58  203.517   66.113   1.6532   65.131   1.6097 0.9815826 2.307403 
1 1 1  -10    8   30 o   23.240   2.3253  592.666   94.334  382.269  142.706  755.957  125.719   18.896   4.0144   27.585   2.3478 -8.688925 4.650583 
1 1 1  -10    8   31 o   8.0630   2.6130 -68.4718   92.231 -65.4088  135.266 -71.1331  126.086   8.2616   3.7757   7.8644   3.6131 0.3972220 5.225930 
1 1 1  -10    8   32 o   22.337   2.3242  522.884  100.417  504.736  146.454  538.986  137.949   21.890   3.4466   22.783   3.1191 -0.8930359 4.648421 
1 1 1  -10    8   33 o   16.057   3.1409  306.182  104.772  214.261  148.556  397.153  147.787   13.594   4.6652   18.520   4.2066 -4.926057 6.281720 
1 1 1  -10    8   34 o   13.422   3.3256  220.386  108.697  171.957  154.684  267.627  152.776   12.293   4.6800   14.552   4.7260 -2.258478 6.651140 
1 1 1  -10    9    1 o  120.382   1.0063 14093.89  225.925 14163.16  283.058 13972.32  375.014  120.793   1.2072  119.971   1.6103 0.8212128 2.012535 
1 1 1  -10    9    2 o  267.347   1.4439 69381.63  749.249 68743.65  1050.20 70042.97  1069.25  266.095   2.0332  268.598   2.0508 -2.502289 2.887782 
1 1 1  -10    9    3 o   55.769   0.7622  3017.45   82.482  2964.18  114.862  3074.16  118.519   55.261   1.0708   56.277   1.0849 -1.015755 1.524331 
1 1 1  -10    9    4 o  193.278   1.2139 36263.57  455.432 36097.81  640.425 36433.16  647.794  192.831   1.7109  193.725   1.7226 -0.8933716 2.427875 
1 1 1  -10    9    5 o   77.714   0.7733  5803.81  110.906  5678.39  136.325  6049.29  190.720   76.486   0.9182   78.942   1.2446 -2.456375 1.546618 
1 1 1  -10    9    6 o  211.665   1.2772 43491.90  524.753 43123.43  738.040 43868.63  746.254  210.758   1.8040  212.571   1.8085 -1.813080 2.554403 
1 1 1  -10    9    7 o  187.427   1.2063 34103.40  438.887 34015.62  619.833 34191.66  621.530  187.185   1.7058  187.669   1.7061 -0.4837341 2.412603 
1 1 1  -10    9    8 o  293.660   1.6063 83802.04  911.757 82979.18  1349.69 84492.74  1236.56  292.327   2.3785  294.993   2.1594 -2.665710 3.212529 
1 1 1  -10    9    9 o  334.512   1.8893 108477.10  1218.18 107057.70  1624.00 110303.20  1842.07  332.026   2.5197  336.998   2.8159 -4.972015 3.778630 
1 1 1  -10    9   10 o  181.802   1.9198 32106.54  677.403 32703.95  956.973 31506.57  959.014  183.498   2.6866  180.105   2.7430 3.393143 3.839547 
1 1 1  -10    9   11 o   41.448   0.6885  1666.78   55.022  1674.21   82.822  1660.90   73.616   41.530   1.0273   41.365   0.9168 0.1650772 1.376929 
1 1 1  -10    9   12 o   38.367   0.7384  1439.75   54.177  1360.46   82.827  1499.04   71.624   37.436   1.1398   39.297   0.9389 -1.861492 1.476702 
1 1 1  -10    9   13 o  157.399   1.6791 23805.66  472.281 23411.49  564.167 24728.85  863.394  155.269   1.8718  159.528   2.7881 -4.259003 3.358125 
1 1 1  -10    9   14 o   42.944   2.4021  1933.46   88.926  1643.46  373.615  1950.88   91.557   41.060   4.6875   44.828   1.0521 -3.767895 4.804101 
1 1 1  -10    9   15 o  112.688   1.7381 12373.93  309.858 12289.05  674.360 12396.64  348.867  112.395   3.0909  112.980   1.5907 -0.5856094 3.476180 
1 1 1  -10    9   16 o  234.840   1.8047 53797.22  774.281 53064.62  1340.83 54163.72  948.388  233.573   2.9572  236.108   2.0692 -2.534836 3.609303 
1 1 1  -10    9   17 o  155.614   1.8356 23682.16  490.785 23282.24  944.789 23829.96  574.360  154.628   3.1476  156.599   1.8894 -1.971054 3.671158 
1 1 1  -10    9   18 o   55.188   2.7695  3335.70  132.246  2590.94  539.254  3383.35  136.411   51.353   5.4096   59.024   1.1906 -7.670952 5.539046 
1 1 1  -10    9   19 o   62.367   2.1692  3536.14  138.048  4104.06  523.018  3493.62  143.124   64.760   4.1605   59.974   1.2294 4.785671 4.338335 
1 1 1  -10    9   20 o  135.415   2.0519 18269.88  440.325 17195.61  942.274 18570.01  498.049  132.635   3.6598  138.195   1.8566 -5.560120 4.103754 
1 1 1  -10    9   21 o   81.768   1.0447  6493.43  165.632  6593.16  240.776  6403.84  228.207   82.362   1.5060   81.175   1.4482 1.186867 2.089356 
1 1 1  -10    9   22 o   45.688   1.0277  2047.86   90.146  1871.62  134.241  2192.60  121.658   43.876   1.5761   47.501   1.3194 -3.625530 2.055474 
1 1 1  -10    9   23 f   68.189   0.9948  4512.46  131.196  4605.51  194.849  4435.28  177.448   68.827   1.4584   67.551   1.3532 1.276115 1.989512 
1 1 1  -10    9   24 o   55.097   1.0336  2959.70  110.217  2829.13  159.907  3077.88  152.125   53.931   1.5274   56.262   1.3929 -2.331188 2.067173 
1 1 1  -10    9   25 o   86.624   1.1709  7298.32  196.257  7393.95  290.273  7217.79  266.363   87.136   1.7161   86.112   1.5935 1.024590 2.341831 
1 1 1  -10    9   26 o   84.029   1.1814  6878.28  192.421  6865.80  279.755  6889.49  265.085   83.949   1.7167   84.110   1.6236 -0.1613388 2.362864 
1 1 1  -10    9   27 o   39.647   1.2592  1540.42   96.328  1468.42  142.246  1601.40  130.915   38.774   1.8899   40.520   1.6644 -1.746212 2.518313 
1 1 1  -10    9   28 o   41.822   1.2571  1703.48  101.787  1803.28  150.790  1619.93  137.961   42.937   1.8091   40.707   1.7459 2.230515 2.514197 
1 1 1  -10    9   29 o  110.965   1.4665 12084.96  315.228 12539.22  464.160 11696.08  429.461  112.864   2.1186  109.067   2.0285 3.796852 2.933094 
1 1 1  -10    9   30 o   46.889   1.2404  2163.39  112.776  2153.27  163.106  2172.65  156.104   46.768   1.7966   47.009   1.7107 -0.2409744 2.480775 
1 1 1  -10    9   31 o   32.859   1.5635  1079.13   99.578  1084.23  144.939  1074.57  137.041   32.908   2.2690   32.811   2.1516 0.9630966E-01 3.126910 
1 1 1  -10    9   32 o   10.755   2.9140   62.800   94.548  198.575  138.230 -56.5663  129.608   13.401   4.5009   8.1100   3.7024 5.290567 5.827958 
1 1 1  -10    9   33 f   12.656   3.0443  153.806  102.242   6.9756  143.600  304.761  145.604   9.3223   4.1006   15.989   4.5007 -6.666466 6.088648 
1 1 1  -10    9   34 o   9.6658   2.9888   18.860  108.681   95.470  157.150 -51.3717  150.465   10.811   4.5072   8.5209   3.9266 2.289915 5.977666 
1 1 1  -10   10    1 o  377.360   1.7971 138050.70  1282.11 137290.00  1634.75 139266.20  2066.58  376.031   2.2396  378.689   2.8113 -2.657440 3.594291 
1 1 1  -10   10    2 o  196.018   1.1781 37223.11  444.970 36682.25  592.324 37923.73  674.151  194.389   1.5697  197.647   1.7571 -3.257706 2.356162 
1 1 1  -10   10    3 o  142.338   1.0002 19662.94  276.335 19358.69  387.512 19977.74  394.166  141.218   1.4136  143.458   1.4154 -2.240112 2.000440 
1 1 1  -10   10    4 o  105.405   0.8147 10784.77  166.697 10863.00  235.455 10706.15  236.036  105.788   1.1466  105.021   1.1578 0.7666092 1.629470 
1 1 1  -10   10    5 o   97.681   0.7672  9260.44  145.444  9331.29  207.974  9192.63  203.477   98.047   1.0927   97.316   1.0771 0.7310867 1.534354 
1 1 1  -10   10    6 o  233.589   1.3539 52971.45  613.910 52575.80  864.355 53374.21  872.097  232.709   1.9134  234.469   1.9161 -1.760193 2.707876 
1 1 1  -10   10    7 o  189.949   1.1999 35027.41  442.440 34967.34  625.456 35087.59  625.954  189.786   1.6977  190.112   1.6962 -0.3260803 2.399841 
1 1 1  -10   10    8 o  131.733   1.0784 16798.19  268.775 17060.13  433.050 16634.06  342.789  132.563   1.6829  130.903   1.3490 1.660431 2.156812 
1 1 1  -10   10    9 o  154.153   1.5437 23060.41  461.796 22386.00  644.272 23773.00  662.256  151.836   2.1859  156.469   2.1804 -4.633255 3.087421 
1 1 1  -10   10   10 o  282.888   1.6972 77693.46  931.887 79316.63  1329.96 76127.94  1306.13  285.790   2.3973  279.986   2.4032 5.803955 3.394474 
1 1 1  -10   10   11 o  110.142   1.1291 11777.32  241.402 11800.92  343.208 11754.21  339.609  110.251   1.6037  110.033   1.5900 0.2181778 2.258259 
1 1 1  -10   10   12 o  242.305   1.6339 57026.21  768.439 57122.29  1079.02 56927.33  1094.62  242.514   2.2921  242.097   2.3292 0.4169159 3.267851 
1 1 1  -10   10   13 o  120.074   1.2184 13989.90  283.063 14124.51  418.487 13876.38  384.316  120.604   1.7875  119.544   1.6561 1.059830 2.436815 
1 1 1  -10   10   14 o  110.805   1.7964 12266.30  311.140 11372.38  676.142 12506.44  350.449  108.127   3.2214  113.484   1.5908 -5.356895 3.592763 
1 1 1  -10   10   15 o   67.108   2.0056  4710.00  158.400  3975.22  473.424  4802.63  168.087   63.886   3.8175   70.330   1.2312 -6.444420 4.011135 
1 1 1  -10   10   16 o   57.395   2.0429  3131.57  118.763  3290.06  443.221  3119.31  123.271   58.109   3.9293   56.682   1.1203 1.426865 4.085893 
1 1 1  -10   10   17 o   70.974   2.0901  4706.95  160.451  5146.40  562.550  4668.03  167.404   72.617   3.9908   69.332   1.2439 3.285088 4.180130 
1 1 1  -10   10   18 o   59.187   2.2749  3729.09  140.980  3054.50  475.482  3794.11  147.618   55.871   4.3841   62.503   1.2167 -6.631802 4.549791 
1 1 1  -10   10   19 o   37.318   3.5046  1520.20   94.185  1250.36  450.872  1532.51   96.310   34.915   6.8970   39.721   1.2491 -4.805790 7.009167 
1 1 1  -10   10   20 o   61.810   2.7437  4233.14  162.909  3196.90  589.047  4318.96  169.521   56.945   5.3288   66.675   1.3098 -9.730465 5.487406 
1 1 1  -10   10   21 o   89.251   1.0861  7745.37  188.005  7673.46  270.776  7812.31  261.238   88.848   1.5700   89.654   1.5011 -0.8060608 2.172126 
1 1 1  -10   10   22 o   65.065   0.9606  4115.78  120.963  4093.75  177.781  4134.77  165.062   64.900   1.4112   65.231   1.3036 -0.3309708 1.921101 
1 1 1  -10   10   23 o   61.305   0.9965  3653.09  118.212  3659.60  174.320  3647.54  160.845   61.352   1.4637   61.258   1.3526 0.9355164E-01 1.992997 
1 1 1  -10   10   24 o   33.742   1.2658  1113.66   81.669  1075.77  125.743  1141.31  107.406   33.234   1.9491   34.250   1.6155 -1.016163 2.531556 
1 1 1  -10   10   25 o   51.247   1.0861  2553.81  107.309  2572.24  161.752  2539.32  143.412   51.405   1.6210   51.090   1.4461 0.3146896 2.172267 
1 1 1  -10   10   26 o   72.975   1.0939  5189.35  154.512  5121.77  226.501  5248.16  211.315   72.521   1.6089   73.429   1.4825 -0.9078674 2.187818 
1 1 1  -10   10   27 o   18.495   2.4083  341.935   84.242  408.360  124.760  286.269  114.210   20.325   3.1621   16.664   3.6332 3.661507 4.816525 
1 1 1  -10   10   28 o   72.638   1.1614  5155.86  163.716  5104.26  233.701  5205.59  229.417   72.274   1.6658   73.002   1.6189 -0.7274780 2.322857 
1 1 1  -10   10   29 o   39.853   1.3777  1564.66  106.180  1414.98  150.555  1712.79  149.770   37.927   2.0449   41.779   1.8467 -3.852112 2.755390 
1 1 1  -10   10   30 o   25.702   1.8810  656.188   93.427  730.425  140.280  597.010  125.247   26.992   2.6773   24.413   2.6429 2.579365 3.762054 
1 1 1  -10   10   31 o   15.416   2.9029  255.720   90.885  361.817  136.313  170.810  121.945   18.144   3.9797   12.688   4.2272 5.456992 5.805799 
1 1 1  -10   10   32 o   28.601   1.7855  828.852   98.812  868.535  146.913  796.073  133.526   29.188   2.5929   28.013   2.4555 1.174671 3.571092 
1 1 1  -10   10   33 o   16.165   3.1030  296.581  102.388  432.038  157.792  198.071  134.563   19.204   4.3355   13.125   4.4406 6.078658 6.206075 
1 1 1  -10   10   34 o   17.521   2.9990  372.994  100.912  364.676  144.394  380.936  141.087   17.254   4.3206   17.787   4.1603 -0.5328445 5.997994 
1 1 1  -10   11    1 o  175.715   1.1025 29919.40  373.910 29488.73  500.908 30461.36  561.912  174.291   1.4805  177.139   1.6341 -2.847839 2.205081 
1 1 1  -10   11    2 o  240.587   1.2991 56168.01  600.834 56008.19  795.707 56380.01  916.441  240.193   1.7066  240.981   1.9591 -0.7876892 2.598169 
1 1 1  -10   11    3 o  112.360   0.8435 12248.51  183.718 12140.60  252.631 12369.64  267.653  111.836   1.1637  112.885   1.2214 -1.049423 1.687039 
1 1 1  -10   11    4 o   85.694   0.8312  7179.04  133.112  7321.98  167.892  6937.11  218.422   86.852   0.9958   84.536   1.3310 2.315956 1.662323 
1 1 1  -10   11    5 o  206.496   1.2858 41387.42  515.305 40898.93  720.833 41897.98  736.938  205.250   1.8092  207.741   1.8274 -2.491165 2.571524 
1 1 1  -10   11    6 o  248.065   1.3963 59743.10  672.368 60111.52  953.607 59378.87  948.161  248.825   1.9743  247.304   1.9751 1.521042 2.792624 
1 1 1  -10   11    7 o  163.363   1.1365 25907.45  360.390 25988.81  510.939 25826.89  508.407  163.618   1.6087  163.107   1.6057 0.5104370 2.272940 
1 1 1  -10   11    8 o   36.108   0.6037  1266.77   38.427  1262.43   71.223  1268.55   45.640   36.063   1.0174   36.152   0.6504 -0.8829498E-01 1.207491 
1 1 1  -10   11    9 o  136.908   1.2317 18197.68  327.335 18165.52  462.865 18229.85  462.977  136.786   1.7432  137.029   1.7405 -0.2420502 2.463372 
1 1 1  -10   11   10 o  139.707   1.3202 18983.23  356.922 19418.56  489.171 18487.60  521.950  141.425   1.7818  137.990   1.9486 3.435684 2.640435 
1 1 1  -10   11   11 o  153.124   1.3834 22765.22  411.172 22454.69  578.580 23082.06  584.436  152.069   1.9600  154.179   1.9527 -2.109955 2.766739 
1 1 1  -10   11   12 o  305.860   1.7756 90821.41  1053.78 89146.32  1464.21 92621.31  1517.79  302.938   2.4899  308.781   2.5322 -5.843536 3.551280 
1 1 1  -10   11   13 f  180.706   1.3942 31705.56  485.601 31792.48  731.958 31637.23  648.990  180.921   2.0842  180.492   1.8523 0.4286041 2.788338 
1 1 1  -10   11   14 o  135.732   1.2417 17897.58  325.939 17846.38  481.841 17940.78  442.555  135.549   1.8312  135.915   1.6774 -0.3661499 2.483355 
1 1 1  -10   11   15 o  150.952   1.7114 22030.21  438.135 22388.19  867.892 21907.77  507.558  151.720   2.9468  150.184   1.7410 1.535736 3.422709 
1 1 1  -10   11   16 o  123.844   1.7990 15195.45  357.249 14408.57  754.169 15423.10  405.648  121.676   3.1930  126.011   1.6583 -4.335320 3.597962 
1 1 1  -10   11   17 o  120.585   1.8400 14197.48  341.629 14066.74  770.379 14229.48  381.157  120.148   3.3031  121.023   1.6224 -0.8753891 3.680068 
1 1 1  -10   11   18 o  117.420   1.8575 13347.55  336.094 13543.25  761.519 13300.21  374.547  117.846   3.3289  116.993   1.6492 0.8536835 3.715031 
1 1 1  -10   11   19 o   90.796   2.0886  7728.81  235.338  8442.80  706.590  7639.72  249.589   92.917   3.9175   88.674   1.4500 4.243134 4.177202 
1 1 1  -10   11   20 o   32.397   4.1227  1100.71   91.029  1009.23  495.642  1103.90   92.604   31.089   8.1231   33.705   1.4154 -2.615746 8.245484 
1 1 1  -10   11   21 o   46.259   0.9634  2075.32   85.048  2101.49  133.495  2057.44  110.338   46.500   1.4789   46.019   1.2352 0.4803391 1.926888 
1 1 1  -10   11   22 o   77.479   1.0335  5829.29  155.193  5936.00  226.729  5735.22  212.877   78.143   1.4947   76.815   1.4276 1.327660 2.066949 
1 1 1  -10   11   23 o   72.697   1.0393  5128.18  146.035  5246.35  217.912  5031.85  196.753   73.450   1.5284   71.943   1.4089 1.506721 2.078639 
1 1 1  -10   11   24 f   30.896   1.4468  929.409   85.272  933.664  133.704  926.492  110.711   30.944   2.2259   30.847   1.8489 0.9712601E-01 2.893595 
1 1 1  -10   11   25 o   97.342   1.2558  9241.38  236.959  8917.72  340.407  9545.66  330.054   95.675   1.8329   99.009   1.7173 -3.333717 2.511689 
1 1 1  -10   11   26 o   53.884   1.0842  2819.00  112.792  2900.65  169.518  2754.13  151.092   54.575   1.6001   53.193   1.4633 1.381535 2.168308 
1 1 1  -10   11   27 f   25.638   1.8063  647.066   89.701  625.226  129.816  667.022  124.090   25.210   2.6527   26.065   2.4525 -0.8542919 3.612700 
1 1 1  -10   11   28 o   38.565   1.3669  1461.33  101.908  1311.87  144.336  1609.90  143.903   36.574   2.0330   40.557   1.8279 -3.982155 2.733881 
1 1 1  -10   11   29 o   55.751   1.1352  3040.69  122.606  3069.51  179.538  3015.51  167.835   55.985   1.6520   55.518   1.5573 0.4670029 2.270364 
1 1 1  -10   11   30 o   25.032   1.8756  616.564   89.554  692.383  143.339  568.020  114.694   26.218   2.8164   23.845   2.4778 2.372707 3.751264 
1 1 1  -10   11   31 o   26.076   1.8117  697.363   89.197  634.474  139.487  740.871  116.019   24.930   2.8824   27.222   2.1956 -2.292322 3.623346 
1 1 1  -10   11   32 o   37.666   1.4779  1416.67  106.838  1466.22  164.994  1380.90  140.200   38.147   2.2282   37.184   1.9423 0.9623260 2.955891 
1 1 1  -10   11   33 f   23.061   2.3151  586.936   97.557  470.258  145.394  682.483  131.572   20.440   3.8044   25.683   2.6391 -5.243179 4.630148 
1 1 1  -10   11   34 o   18.055   2.8802  405.223  102.915  259.153  153.711  523.904  138.553   14.246   4.7460   21.864   3.2645 -7.618015 5.760305 
1 1 1  -10   12    1 o   99.285   0.7796  9567.30  150.064  9544.32  207.000  9592.75  217.860   99.160   1.0754   99.411   1.1290 -0.2508545 1.559181 
1 1 1  -10   12    2 o  346.119   1.6142 116100.30  1063.81 115198.80  1373.91 117449.90  1681.05  344.458   2.0547  347.781   2.4901 -3.322968 3.228366 
1 1 1  -10   12    3 o  168.596   1.0918 27579.93  355.616 27452.33  479.616 27735.73  529.983  168.165   1.4692  169.028   1.6152 -0.8628235 2.183501 
1 1 1  -10   12    4 o  101.181   0.8082  9935.15  158.724  9792.93  222.277 10083.12  226.727  100.442   1.1400  101.920   1.1460 -1.477272 1.616460 
1 1 1  -10   12    5 o  365.251   1.7936 129541.80  1271.63 130570.30  1807.48 128533.90  1789.38  366.686   2.5393  363.816   2.5337 2.870270 3.587151 
1 1 1  -10   12    6 o  278.017   1.4809 75041.37  799.190 74352.88  1124.86 75743.16  1135.67  276.730   2.0940  279.305   2.0946 -2.575195 2.961812 
1 1 1  -10   12    7 o  231.110   1.3487 51854.98  605.049 52136.11  858.284 51577.24  853.078  231.733   1.9080  230.488   1.9067 1.245316 2.697381 
1 1 1  -10   12    8 o  264.242   1.5559 67793.91  793.449 67854.73  1188.23 67744.96  1065.92  264.343   2.3156  264.142   2.0788 0.2015381 3.111866 
1 1 1  -10   12    9 o  427.886   2.0892 177832.91  1735.14 176475.41  2436.06 179230.91  2472.06  426.230   2.9443  429.542   2.9648 -3.312225 4.178341 
1 1 1  -10   12   10 o  128.694   1.2040 16079.40  300.775 16083.26  423.466 16075.47  427.280  128.709   1.6949  128.678   1.7106 0.3149414E-01 2.408060 
1 1 1  -10   12   11 o  305.467   1.7599 90633.15  1043.55 91248.39  1478.97 90023.16  1472.64  306.499   2.4858  304.434   2.4919 2.065308 3.519800 
1 1 1  -10   12   12 o   97.457   0.9406  9147.63  166.312  9425.45  295.161  9018.39  201.312   98.528   1.5432   96.386   1.0760 2.142792 1.881288 
1 1 1  -10   12   13 o  107.814   1.0771 11304.01  225.068 10845.37  322.983 11736.96  313.805  105.684   1.5744  109.945   1.4703 -4.261444 2.154190 
1 1 1  -10   12   14 o  211.284   1.4848 43459.61  604.229 42646.10  908.748 44104.25  808.950  209.494   2.2346  213.074   1.9558 -3.580200 2.969647 
1 1 1  -10   12   15 o   32.284   3.4467  1250.06   74.460  824.444  370.719  1267.95   76.008   28.429   6.8078   36.139   1.0835 -7.710258 6.893448 
1 1 1  -10   12   16 o   51.076   2.9323  3205.69  122.780  1888.85  490.652  3293.66  126.815   43.909   5.7564   58.243   1.1217 -14.33364 5.864660 
1 1 1  -10   12   17 o   62.900   2.4277  4496.92  160.211  3143.26  515.935  4641.37  168.543   56.668   4.6902   69.131   1.2559 -12.46314 4.855460 
1 1 1  -10   12   18 f   60.431   2.4263  3766.78  141.482  3332.10  531.979  3799.87  146.768   58.313   4.6997   62.550   1.2088 -4.237526 4.852612 
1 1 1  -10   12   19 o  156.571   1.9820 23978.58  516.752 23702.17  1044.38 24068.19  594.644  155.816   3.4529  157.326   1.9471 -1.510101 3.964022 
1 1 1  -10   12   20 o   35.246   3.6798  1398.19   94.660  1086.86  443.530  1413.04   96.892   32.355   7.2423   38.136   1.3088 -5.780766 7.359639 
1 1 1  -10   12   21 o   69.688   0.9677  4706.83  130.451  4860.98  193.936  4579.45  176.294   70.724   1.4126   68.651   1.3229 2.073242 1.935340 
1 1 1  -10   12   22 o   45.164   1.0021  1964.30   86.600  2087.98  136.062  1880.08  112.278   46.343   1.5125   43.985   1.3150 2.358887 2.004185 
1 1 1  -10   12   23 o   57.368   0.9888  3178.74  109.047  3344.73  167.953  3057.76  143.378   58.649   1.4752   56.087   1.3169 2.561741 1.977527 
1 1 1  -10   12   24 o  118.181   1.3753 13603.85  314.213 13619.78  466.004 13590.58  425.484  118.225   2.0306  118.137   1.8554 0.8840942E-01 2.750561 
1 1 1  -10   12   25 o   71.820   1.1059  4986.10  153.130  5300.90  233.064  4746.99  203.127   73.793   1.6270   69.847   1.4982 3.946083 2.211721 
1 1 1  -10   12   26 o   64.866   1.0827  4107.93  135.941  3901.51  196.555  4297.20  188.215   63.290   1.5999   66.442   1.4593 -3.151474 2.165436 
1 1 1  -10   12   27 o   55.683   1.1035  3018.37  118.512  3073.63  178.721  2975.00  158.329   56.123   1.6405   55.243   1.4764 0.8797073 2.207037 
1 1 1  -10   12   28 o   43.040   1.2570  1822.57  104.209  1720.23  154.676  1907.64  141.016   41.902   1.9016   44.178   1.6444 -2.275612 2.513988 
1 1 1  -10   12   29 o   15.517   2.7646  260.897   84.901  186.162  127.159  321.014  114.047   13.479   4.3050   17.555   3.4698 -4.075736 5.529177 
1 1 1  -10   12   30 f   30.391   1.5066  910.774   87.407  947.610  137.739  885.940  113.096   30.847   2.3003   29.934   1.9463 0.9124393 3.013215 
1 1 1  -10   12   31 o   12.800   3.0248  171.102   86.854  193.632  138.008  156.326  111.762   13.410   4.4973   12.191   4.0462 1.218397 6.049547 
1 1 1  -10   12   32 o   10.570   2.7797   76.419   89.573 -84.5722  138.329  192.667  117.545   8.0130   3.7178   13.126   4.1333 -5.113162 5.559381 
1 1 1  -10   12   33 o   14.715   3.0927  260.185   95.456  225.761  146.808  285.398  125.641   13.793   4.6384   15.636   4.0919 -1.843637 6.185328 
1 1 1  -10   12   34 o   23.123   2.4614  614.012  103.435  504.663  157.341  697.237  137.265   20.608   4.0775   25.637   2.7582 -5.029297 4.922750 
1 1 1  -10   13    1 o   99.341   0.7722  9585.43  148.786  9769.81  207.532  9390.44  213.423  100.324   1.0656   98.357   1.1178 1.967545 1.544385 
1 1 1  -10   13    2 o  270.144   1.3684 70618.68  708.892 69394.38  929.014 72325.16  1096.80  267.356   1.7901  272.932   2.0702 -5.575836 2.736772 
1 1 1  -10   13    3 o   95.923   0.7547  8925.39  140.308  8829.35  192.581  9034.05  204.838   95.374   1.0402   96.472   1.0938 -1.098785 1.509451 
1 1 1  -10   13    4 o  330.928   1.6049 106167.40  1012.28 105456.60  1310.49 107218.70  1593.92  329.570   2.0484  332.287   2.4711 -2.717072 3.209726 
1 1 1  -10   13    5 o  329.784   1.7437 105607.80  1116.24 106120.90  1582.64 105100.00  1574.59  330.581   2.4663  328.987   2.4656 1.593964 3.487358 
1 1 1  -10   13    6 o  200.362   1.5978 39019.32  579.734 39088.97  703.322 38871.70  1023.93  200.656   1.8057  200.068   2.6365 0.5880280 3.195557 
1 1 1  -10   13    7 o  270.621   1.4689 71106.16  771.659 71444.14  1094.76 70772.41  1087.85  271.260   2.0791  269.982   2.0757 1.278046 2.937882 
1 1 1  -10   13    8 o   59.532   0.8196  3439.58   94.668  3462.71  136.144  3417.92  131.727   59.726   1.1743   59.338   1.1436 0.3873482 1.639130 
1 1 1  -10   13    9 o  126.276   1.9646 15483.46  481.422 15651.07  691.229 15325.57  670.894  126.939   2.8052  125.614   2.7514 1.325172 3.929270 
1 1 1  -10   13   10 o  243.144   1.6146 57402.33  761.905 56993.94  1065.03 57830.41  1090.41  242.260   2.2647  244.029   2.3019 -1.769135 3.229189 
1 1 1  -10   13   11 o  203.886   1.5246 40367.74  603.391 40020.77  848.357 40722.95  858.380  202.999   2.1529  204.772   2.1595 -1.772736 3.049282 
1 1 1  -10   13   12 o  298.060   1.5806 86212.52  887.462 86614.12  1442.64 85968.02  1125.65  298.592   2.4889  297.529   1.9490 1.063019 3.161237 
1 1 1  -10   13   13 f  194.771   1.4338 36843.43  538.381 36901.63  810.373 36797.45  720.328  194.899   2.1420  194.642   1.9065 0.2571564 2.867499 
1 1 1  -10   13   14 o  222.855   1.5328 48253.62  656.720 48287.32  1000.66 48228.12  870.392  222.907   2.3126  222.804   2.0125 0.1023254 3.065619 
1 1 1  -10   13   15 o  125.290   1.7710 15174.15  352.690 15406.56  766.865 15111.81  397.189  125.842   3.1393  124.739   1.6403 1.103462 3.541980 
1 1 1  -10   13   16 o  180.262   1.8035 31550.29  567.724 31716.01  1070.83 31485.50  669.571  180.513   3.0560  180.010   1.9162 0.5030823 3.607028 
1 1 1  -10   13   17 o   91.794   1.9415  8422.19  238.924  7901.92  631.307  8509.17  258.124   89.993   3.6138   93.594   1.4207 -3.600967 3.883052 
1 1 1  -10   13   18 o  131.199   1.8677 16628.26  390.141 16989.47  847.358 16531.09  439.495  131.980   3.3075  130.419   1.7360 1.561554 3.735361 
1 1 1  -10   13   19 o   24.717   3.9469  763.064   78.952  364.605  417.011  777.878   80.406   21.138   7.7569   28.295   1.4639 -7.156834 7.893803 
1 1 1  -10   13   20 f   21.310   4.1942  431.962   78.174  345.183  469.938  434.432   79.279   21.487   8.1628   21.133   1.9326 0.3549290 8.388496 
1 1 1  -10   13   21 o   37.859   4.1736  1550.68   97.018  1338.00  560.078  1557.26   98.507   35.684   8.2504   40.035   1.2675 -4.350777 8.347193 
1 1 1  -10   13   22 o   51.418   0.9820  2558.52   97.169  2651.80  148.575  2488.81  128.447   52.229   1.4655   50.606   1.3075 1.622345 1.963971 
1 1 1  -10   13   23 f   72.270   1.0681  5088.29  148.747  5006.26  223.373  5153.64  199.385   71.736   1.6041   72.803   1.4108 -1.067299 2.136247 
1 1 1  -10   13   24 o   84.732   1.1579  7005.36  189.816  6717.72  276.404  7262.09  261.127   83.071   1.7141   86.393   1.5571 -3.322708 2.315717 
1 1 1  -10   13   25 o   30.638   1.4398  927.717   83.454  855.636  130.885  977.097  108.331   29.603   2.2776   31.672   1.7620 -2.069025 2.879628 
1 1 1  -10   13   26 f   61.699   1.0779  3699.85  128.235  3767.61  193.633  3646.92  171.145   62.190   1.6040   61.207   1.4404 0.9825478 2.155827 
1 1 1  -10   13   27 o   47.608   1.1778  2202.80  108.441  2320.33  161.928  2107.22  146.021   48.747   1.7112   46.469   1.6188 2.277870 2.355581 
1 1 1  -10   13   28 o   24.809   1.8704  607.897   89.768  619.034  133.035  598.587  121.633   25.000   2.7413   24.618   2.5453 0.3823528 3.740709 
1 1 1  -10   13   29 o   23.694   1.9882  559.068   90.650  567.224  137.931  552.866  120.272   23.806   2.9848   23.583   2.6272 0.2226772 3.976347 
1 1 1  -10   13   30 o   20.971   2.2840  469.968   87.108  369.972  131.826  547.468  116.054   18.577   3.7841   23.364   2.5588 -4.787355 4.568047 
1 1 1  -10   13   31 f   18.741   2.5897  369.738   91.957  567.498  138.871  215.313  122.716   23.509   3.0431   13.972   4.1912 9.536108 5.179464 
1 1 1  -10   13   32 o   37.757   1.4270  1438.38  103.618  1344.77  154.149  1515.54  139.953   36.533   2.1737   38.981   1.8495 -2.448334 2.854055 
1 1 1  -10   13   33 o   20.140   2.6608  453.054   99.315  494.246  152.973  423.041  130.575   20.815   3.9300   19.465   3.5880 1.350019 5.321538 
1 1 1  -10   14    1 o  141.225   0.9714 19372.43  265.527 19520.86  362.802 19201.21  389.657  141.808   1.3180  140.641   1.4273 1.167465 1.942708 
1 1 1  -10   14    2 o  155.601   1.0462 23486.44  314.707 23319.64  425.372 23688.14  467.767  154.992   1.4138  156.209   1.5426 -1.217453 2.092500 
1 1 1  -10   14    3 o  358.432   1.6605 124362.80  1130.93 122894.20  1453.21 126618.30  1800.91  355.772   2.1042  361.091   2.5693 -5.319305 3.320977 
1 1 1  -10   14    4 o  301.659   1.4850 88318.78  866.172 87977.10  1172.86 88728.69  1284.66  301.022   2.0072  302.296   2.1892 -1.273895 2.970094 
1 1 1  -10   14    5 o  154.593   1.0452 23179.16  312.225 22986.49  421.019 23414.61  465.417  153.881   1.4095  155.305   1.5438 -1.423920 2.090433 
1 1 1  -10   14    6 o  248.146   1.4109 59756.17  679.436 58572.12  947.213 61011.05  975.131  245.616   1.9867  250.677   2.0039 -5.060822 2.821809 
1 1 1  -10   14    7 o  178.249   1.1955 30846.36  413.653 30818.75  584.061 30874.13  585.932  178.169   1.6887  178.329   1.6926 -0.1599121 2.390975 
1 1 1  -10   14    8 f  290.313   1.7055 81839.41  961.056 82935.23  1367.21 80769.10  1351.20  292.234   2.4101  288.392   2.4136 3.841797 3.410919 
1 1 1  -10   14    9 o  288.474   1.8413 80832.02  1021.20 80898.88  1353.86 80743.74  1555.40  288.626   2.4164  288.323   2.7791 0.3023376 3.682697 
1 1 1  -10   14   10 o   63.523   0.8004  3906.65   98.096  4008.91  147.877  3826.29  131.093   64.263   1.1854   62.783   1.0757 1.479900 1.600712 
1 1 1  -10   14   11 o  145.406   1.1735 20549.32  317.456 20456.36  530.461 20601.19  396.246  145.142   1.8828  145.671   1.4013 -0.5283203 2.346998 
1 1 1  -10   14   12 o  256.126   1.5114 63889.16  729.004 63006.64  1180.35 64433.41  926.922  254.669   2.3876  257.583   1.8538 -2.914307 3.022806 
1 1 1  -10   14   13 o   59.546   0.8269  3459.15   94.712  3308.02  142.197  3579.65  126.976   58.370   1.2550   60.722   1.0772 -2.351894 1.653895 
1 1 1  -10   14   14 o  125.206   1.2237 15240.00  296.834 14989.58  431.495 15464.98  408.983  124.225   1.7894  126.186   1.6697 -1.960800 2.447370 
1 1 1  -10   14   15 o  171.725   1.7940 28848.60  532.400 28268.80  1014.80 29068.78  625.376  170.464   3.0668  172.986   1.8624 -2.521759 3.587990 
1 1 1  -10   14   16 o  159.146   1.8304 24818.57  505.238 24230.45  956.461 25046.19  595.029  157.749   3.1235  160.544   1.9093 -2.794556 3.660811 
1 1 1  -10   14   17 o   58.322   2.3967  3611.99  133.501  2989.95  498.790  3659.99  138.556   55.255   4.6503   61.390   1.1627 -6.135765 4.793477 
1 1 1  -10   14   18 o  144.910   1.9913 20756.16  472.441 19897.43  970.836 21022.62  540.794  142.771   3.5030  147.049   1.8945 -4.278183 3.982510 
1 1 1  -10   14   19 o  113.412   1.9182 12514.50  329.566 12556.27  761.281 12504.87  365.600  113.397   3.4584  113.428   1.6604 -0.3044128E-01 3.836364 
1 1 1  -10   14   20 o   32.169   4.6169  1411.22   91.643  619.023  573.440  1431.98   92.836   25.945   9.1494   38.392   1.2457 -12.44754 9.233821 
1 1 1  -10   14   21 o   50.963   3.1025  2942.65  130.023  2145.26  548.145  2990.19  133.843   46.450   6.0792   55.477   1.2429 -9.026672 6.204917 
1 1 1  -10   14   22 o  118.364   1.3164 13640.27  301.632 13538.98  442.329 13728.32  412.387  117.941   1.9320  118.787   1.7884 -0.8456116 2.632718 
1 1 1  -10   14   23 o   58.565   1.0198  3307.84  114.442  3501.63  178.725  3173.17  148.993   59.999   1.5345   57.130   1.3435 2.868732 2.039550 
1 1 1  -10   14   24 o  117.750   1.4085 13517.47  321.287 13474.62  469.071 13555.34  440.967  117.557   2.0555  117.942   1.9261 -0.3843613 2.816905 
1 1 1  -10   14   25 o   22.701   6.8075  157.138  486.049  350.174  871.949   70.117  585.442   25.499   10.623   19.904   8.5165 5.594982 13.61504 
1 1 1  -10   14   26 o   60.825   1.0864  3593.85  126.874  3668.99  195.215  3538.91  166.939   61.359   1.6390   60.291   1.4264 1.068050 2.172741 
1 1 1  -10   14   27 o   50.205   1.1259  2463.31  108.758  2431.32  164.561  2488.13  144.919   49.897   1.6990   50.514   1.4779 -0.6170502 2.251837 
1 1 1  -10   14   28 o   28.321   1.6242  802.759   87.536  710.407  132.785  873.740  116.413   26.808   2.5516   29.833   2.0102 -3.025160 3.248312 
1 1 1  -10   14   29 o   44.520   1.1998  1904.33  101.409  2129.70  164.765  1766.89  128.667   46.562   1.8229   42.479   1.5604 4.083126 2.399562 
1 1 1  -10   14   30 o   13.738   2.6133  209.793   85.993   5.0334  137.007  342.891  110.461   9.4189   4.0759   18.057   3.2718 -8.638491 5.226569 
1 1 1  -10   14   31 o   24.602   2.0575  622.155   97.397  590.407  145.176  648.140  131.342   23.932   3.1250   25.272   2.6773 -1.339962 4.114992 
1 1 1  -10   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   14   33 o   10.061   2.9924   60.865   99.478   45.346  141.993   75.823  139.408   9.8157   4.1970   10.306   4.2666 -0.4905224 5.984851 
1 1 1  -10   15    1 o  148.708   1.0227 21468.75  294.401 21486.31  401.828 21448.40  432.561  148.775   1.3914  148.642   1.4991 0.1331329 2.045321 
1 1 1  -10   15    2 o  117.120   0.8774 13326.08  199.119 13508.32  274.544 13123.84  289.223  117.966   1.1989  116.274   1.2814 1.691902 1.754815 
1 1 1  -10   15    3 o   22.083   0.5190  470.642   22.131  407.019   30.183  544.627   32.548   20.478   0.7593   23.688   0.7078 -3.210091 1.038061 
1 1 1  -10   15    4 o  178.174   1.1032 30852.78  379.476 31158.83  512.037 30479.87  565.216  179.158   1.4723  177.191   1.6433 1.966522 2.206362 
1 1 1  -10   15    5 o  320.710   1.6063 99802.30  983.221 99488.10  1277.81 100258.30  1539.42  320.104   2.0564  321.316   2.4681 -1.211884 3.212509 
1 1 1  -10   15    6 o  306.474   1.7158 91207.07  1020.71 91795.09  1450.80 90630.73  1436.32  307.452   2.4309  305.496   2.4220 1.955566 3.431539 
1 1 1  -10   15    7 o  138.785   1.0232 18678.83  275.484 18163.72  381.348 19241.04  398.398  136.786   1.4362  140.784   1.4578 -3.997620 2.046429 
1 1 1  -10   15    8 o  124.025   1.0791 14924.64  252.445 14968.86  408.781 14897.38  320.962  124.171   1.6959  123.880   1.3347 0.2905426 2.158152 
1 1 1  -10   15    9 o  164.304   1.4343 26202.71  457.365 25461.84  640.240 26974.79  653.589  161.933   2.0368  166.675   2.0201 -4.742218 2.868651 
1 1 1  -10   15   10 o  105.609   1.1174 10828.79  229.077 10853.82  323.548 10803.63  324.381  105.732   1.5764  105.487   1.5841 0.2449036 2.234847 
1 1 1  -10   15   11 o  268.102   1.5125 69642.12  761.614 70468.73  1249.55 69153.51  960.690  269.343   2.3899  266.860   1.8545 2.482635 3.025059 
1 1 1  -10   15   12 o  131.171   1.1180 16660.86  271.810 16863.10  459.842 16552.25  336.981  131.773   1.7977  130.570   1.3295 1.203278 2.235925 
1 1 1  -10   15   13 o  179.790   1.4045 31404.45  486.124 31382.35  736.178 31421.53  647.327  179.723   2.1101  179.856   1.8541 -0.1329803 2.808988 
1 1 1  -10   15   14 o   23.821   1.1357  588.579   47.195  460.363   82.954  649.943   57.388   21.769   1.9631   25.873   1.1426 -4.104584 2.271397 
1 1 1  -10   15   15 o   68.742   1.9981  4605.13  150.824  4585.11  508.385  4607.06  157.934   68.600   3.8177   68.883   1.1811 -0.2837067 3.996268 
1 1 1  -10   15   16 o   69.921   1.9311  4659.85  153.301  4879.81  504.105  4637.43  160.922   70.737   3.6712   69.105   1.1996 1.631523 3.862256 
1 1 1  -10   15   17 o  202.874   1.8408 39757.88  666.302 40834.70  1217.94 39297.95  795.978  204.707   3.0650  201.041   2.0396 3.666077 3.681616 
1 1 1  -10   15   18 o   68.183   2.5809  5116.66  178.523  3896.87  610.437  5230.75  186.684   62.985   4.9927   73.381   1.3106 -10.39603 5.161874 
1 1 1  -10   15   19 o   41.899   3.2665  1887.79   98.440  1551.96  493.461  1901.71  100.459   39.551   6.4274   44.248   1.1696 -4.697636 6.532944 
1 1 1  -10   15   20 o   77.843   2.6588  6340.84  211.023  5461.67  741.215  6418.38  220.133   74.414   5.1312   81.271   1.3954 -6.856491 5.317573 
1 1 1  -10   15   21 o   21.852   4.2007  511.217   78.972  248.049  493.039  518.146   80.005   20.623   8.2095   23.080   1.7857 -2.457291 8.401488 
1 1 1  -10   15   22 o   36.394   1.1885  1298.31   80.050  1254.90  134.255  1322.25   99.713   35.906   1.9262   36.882   1.3927 -0.9760628 2.376965 
1 1 1  -10   15   23 o   79.930   1.1019  6216.28  170.148  6201.74  253.148  6228.26  229.796   79.836   1.6335   80.024   1.4793 -0.1884155 2.203760 
1 1 1  -10   15   24 f   67.410   1.0535  4401.11  136.482  4561.12  209.922  4283.95  179.630   68.456   1.5797   66.364   1.3944 2.092033 2.107094 
1 1 1  -10   15   25 o   44.708   1.1638  1939.94   98.752  1977.15  157.815  1915.99  126.601   45.044   1.8049   44.372   1.4698 0.6724548 2.327647 
1 1 1  -10   15   26 o   78.276   1.1668  5964.29  176.958  6106.00  259.492  5841.09  241.941   79.136   1.6892   77.417   1.6099 1.719666 2.333528 
1 1 1  -10   15   27 o   15.670   2.8206  256.889   85.673  243.591  129.884  267.131  113.986   15.302   4.2309   16.039   3.7314 -0.7369242 5.641228 
1 1 1  -10   15   28 o   20.187   2.2860  407.218   87.097  479.112  131.818  351.510  116.034   21.909   3.0994   18.464   3.3612 3.445116 4.572085 
1 1 1  -10   15   29 o   49.867   1.1415  2402.27  108.880  2639.59  172.170  2244.10  140.554   51.860   1.7103   47.875   1.5124 3.984650 2.283073 
1 1 1  -10   15   30 o   35.632   1.3648  1255.47   93.021  1269.97  144.712  1245.27  121.432   35.747   2.0854   35.517   1.7613 0.2301331 2.729664 
1 1 1  -10   15   31 f   9.6291   2.8183   23.704   87.251  113.695  137.246 -37.3341  113.031   11.413   4.3930   7.8452   3.5317 3.567823 5.636603 
1 1 1  -10   15   32 o   17.559   2.8599  355.168   95.509  311.794  142.104  390.904  128.987   16.330   4.3886   18.788   3.6684 -2.457397 5.719887 
1 1 1  -10   15   33 o   9.5274   2.9259   27.316  100.860   2.9939  141.089   52.737  144.238   9.0919   4.0287   9.9630   4.2442 -0.8710546 5.851828 
1 1 1  -10   16    1 f  333.735   1.5518 108081.20  999.541 107551.80  1341.81 108741.30  1498.21  332.824   2.0769  334.646   2.3063 -1.821625 3.103652 
1 1 1  -10   16    2 o  173.730   1.1175 29317.05  375.223 29480.59  508.172 29121.01  556.392  174.265   1.5022  173.196   1.6549 1.069427 2.235053 
1 1 1  -10   16    3 o  210.300   1.2278 42975.86  497.948 43290.54  668.356 42583.27  746.518  211.170   1.6305  209.431   1.8363 1.738297 2.455659 
1 1 1  -10   16    4 o  109.857   0.8420 11703.91  179.189 11548.74  244.998 11882.38  262.755  109.075   1.1571  110.639   1.2234 -1.563629 1.683943 
1 1 1  -10   16    5 o  303.203   1.5849 89388.09  919.581 89990.38  1205.43 88549.58  1422.28  304.438   2.0397  301.968   2.4264 2.470428 3.169845 
1 1 1  -10   16    6 o  152.027   1.0827 22464.23  315.352 22605.45  414.541 22270.23  485.848  152.598   1.3994  151.457   1.6525 1.141266 2.165469 
1 1 1  -10   16    7 o  210.037   1.3040 42830.97  531.674 43150.84  753.435 42513.68  750.375  210.818   1.8411  209.255   1.8473 1.562469 2.608078 
1 1 1  -10   16    8 o  216.312   1.4564 45393.05  604.631 45698.42  928.842 45168.51  796.489  216.936   2.2057  215.688   1.9023 1.248672 2.912726 
1 1 1  -10   16    9 o  108.869   1.1631 11495.36  245.531 11750.32  357.339 11267.33  337.938  110.011   1.6733  107.727   1.6160 2.283501 2.326266 
1 1 1  -10   16   10 o  199.632   1.3414 38701.01  502.379 38691.53  824.006 38706.62  633.799  199.600   2.1267  199.663   1.6353 -0.6340027E-01 2.682708 
1 1 1  -10   16   11 o  205.557   1.3621 41179.62  525.766 40456.11  856.677 41616.80  665.932  204.089   2.1624  207.026   1.6571 -2.937622 2.724294 
1 1 1  -10   16   12 o  115.553   1.0362 12836.04  218.581 13342.88  384.068 12593.22  265.832  117.215   1.6879  113.891   1.2024 3.324608 2.072427 
1 1 1  -10   16   13 o  106.279   1.1166 10992.16  229.682 10632.24  334.798 11312.17  315.684  104.630   1.6484  107.929   1.5068 -3.299385 2.233293 
1 1 1  -10   16   14 o   59.932   0.8307  3505.18   95.572  3358.48  144.736  3618.59  127.262   58.813   1.2678   61.051   1.0738 -2.238354 1.661433 
1 1 1  -10   16   15 f   57.685   2.1886  3521.26  123.458  2922.66  450.394  3569.89  128.375   54.734   4.2391   60.637   1.0906 -5.903103 4.377146 
1 1 1  -10   16   16 o  135.261   1.7776 17668.95  392.220 18044.13  823.545 17558.88  446.057  136.095   3.1173  134.427   1.7094 1.667633 3.555220 
1 1 1  -10   16   17 o   86.797   2.1383  7690.71  228.322  6895.23  658.875  7799.27  243.404   83.991   4.0412   89.604   1.3994 -5.612770 4.276586 
1 1 1  -10   16   18 f  225.181   1.9068 49133.44  770.175 50064.72  1391.73 48722.35  924.669  226.560   3.1645  223.802   2.1284 2.757996 3.813700 
1 1 1  -10   16   19 o   70.703   2.3503  4933.38  169.957  4822.75  615.400  4942.51  176.835   70.079   4.5238   71.327   1.2772 -1.247963 4.700654 
1 1 1  -10   16   20 o   60.705   2.6706  3878.95  149.117  3308.42  583.617  3918.79  154.236   57.899   5.1927   63.511   1.2510 -5.611732 5.341269 
1 1 1  -10   16   21 o   60.063   3.0144  3766.99  149.743  3304.18  659.644  3792.14  153.757   57.655   5.8940   62.472   1.2679 -4.816723 6.028820 
1 1 1  -10   16   22 o  122.655   3.2097 15105.86  723.540 13974.66  1214.14 15728.83  901.006  118.686   5.2699  126.624   3.6656 -7.938736 6.419405 
1 1 1  -10   16   23 o   86.557   1.1546  7286.80  193.210  7321.74  286.781  7257.75  261.453   86.738   1.7032   86.377   1.5593 0.3611450 2.309217 
1 1 1  -10   16   24 o   16.108   2.4910  288.817   74.749  166.559  126.780  353.964   92.546   13.187   4.3062   19.029   2.5053 -5.842330 4.982006 
1 1 1  -10   16   25 o   77.598   1.1517  5864.08  172.907  5863.10  255.075  5864.92  235.189   77.582   1.6937   77.615   1.5610 -0.3312683E-01 2.303355 
1 1 1  -10   16   26 o   39.538   1.2845  1531.43   95.219  1504.00  155.648  1547.83  120.370   39.225   2.0442   39.852   1.5560 -0.6269264 2.568994 
1 1 1  -10   16   27 o   46.184   1.1823  2090.98  103.977  2044.03  162.788  2123.33  135.133   45.715   1.8344   46.654   1.4921 -0.9388657 2.364668 
1 1 1  -10   16   28 o   51.490   1.1213  2608.32  110.911  2474.64  166.878  2714.09  148.439   50.269   1.7101   52.711   1.4507 -2.441555 2.242585 
1 1 1  -10   16   29 o   41.638   1.2532  1716.28  100.165  1611.44  150.602  1799.44  134.133   40.444   1.9183   42.831   1.6133 -2.386909 2.506477 
1 1 1  -10   16   30 o   35.985   1.4138  1291.16   98.037  1234.81  145.800  1337.67  132.450   35.209   2.1332   36.761   1.8561 -1.551506 2.827681 
1 1 1  -10   16   31 o   13.758   3.0301  207.013   89.695  247.536  133.932  174.058  120.782   14.810   4.3633   12.706   4.2058 2.104589 6.060287 
1 1 1  -10   16   32 o   14.979   2.9105  269.890   93.544  146.923  145.166  357.212  122.330   12.023   4.5441   17.935   3.6380 -5.912797 5.821044 
1 1 1  -10   16   33 o   12.413   3.1158  177.244   97.778  109.283  149.031  228.609  129.562   11.042   4.4724   13.783   4.3394 -2.741078 6.231544 
1 1 1  -10   17    1 o  193.705   1.1212 36423.64  421.542 36240.76  592.024 36611.71  600.366  193.212   1.5785  194.197   1.5926 -0.9859161 2.242320 
1 1 1  -10   17    2 o  328.195   1.5453 104562.80  980.055 104322.20  1323.93 104854.60  1457.73  327.784   2.0807  328.607   2.2853 -0.8224487 3.090588 
1 1 1  -10   17    3 o  154.993   1.1877 23315.00  342.561 23296.91  427.356 23347.52  572.958  154.915   1.4211  155.072   1.9034 -0.1570282 2.375384 
1 1 1  -10   17    4 o  150.552   1.0516 21971.36  305.948 21672.85  412.206 22337.53  456.532  149.417   1.4212  151.688   1.5504 -2.271179 2.103240 
1 1 1  -10   17    5 o   41.114   0.4807  1636.82   38.267  1590.33   51.968  1691.88   56.557   40.478   0.6614   41.750   0.6979 -1.272285 0.9614762 
1 1 1  -10   17    6 o  159.369   1.0690 24642.57  329.131 24512.75  443.794 24801.24  490.647  158.904   1.4387  159.833   1.5814 -0.9290619 2.137924 
1 1 1  -10   17    7 o  409.794   1.7150 163242.80  1343.18 164012.00  1754.48 162153.50  2087.79  410.982   2.1992  408.607   2.6322 2.375061 3.429986 
1 1 1  -10   17    8 o  201.411   1.6869 39262.94  643.800 40010.77  1033.70 38789.04  822.879  202.960   2.6237  199.863   2.1210 3.097061 3.373818 
1 1 1  -10   17    9 o  191.634   1.8540 35674.74  689.596 35664.94  967.110 35684.88  983.570  191.609   2.6001  191.659   2.6437 -0.5075073E-01 3.708071 
1 1 1  -10   17   10 o  134.000   1.1402 17361.33  282.612 17673.34  480.881 17196.70  349.299  134.908   1.8363  133.091   1.3520 1.817261 2.280306 
1 1 1  -10   17   11 o   84.726   0.8731  6963.10  134.857  6986.90  235.589  6951.49  164.467   84.830   1.4307   84.622   1.0012 0.2076645 1.746218 
1 1 1  -10   17   12 o  167.295   1.2688 27126.70  393.518 27374.92  664.927 26992.90  488.194  167.865   2.0406  166.724   1.5084 1.140930 2.537568 
1 1 1  -10   17   13 o  140.791   1.3076 19273.85  354.808 19092.55  533.393 19417.74  475.184  140.189   1.9601  141.392   1.7313 -1.203140 2.615185 
1 1 1  -10   17   14 o   93.994   1.0357  8585.05  188.623  8485.35  274.407  8674.36  259.706   93.475   1.5123   94.514   1.4155 -1.038651 2.071416 
1 1 1  -10   17   15 o  143.439   1.3072 19981.56  362.153 20088.94  540.520 19894.09  487.845  143.781   1.9366  143.098   1.7562 0.6839294 2.614358 
1 1 1  -10   17   16 o  111.279   1.8364 12024.93  309.725 12094.69  715.649 12008.85  343.568  111.383   3.3099  111.176   1.5920 0.2069702 3.672865 
1 1 1  -10   17   17 o   90.850   2.1147  8329.66  242.406  7669.36  684.136  8424.46  259.224   88.579   3.9788   93.122   1.4340 -4.543724 4.229308 
1 1 1  -10   17   18 o   99.237   2.1398 10183.38  296.454  8774.03  728.942 10462.68  324.502   94.715   3.9647  103.759   1.6111 -9.045021 4.279554 
1 1 1  -10   17   19 o   73.812   2.5644  5721.89  192.963  4879.25  676.308  5796.57  201.331   70.386   4.9499   77.238   1.3428 -6.852661 5.128794 
1 1 1  -10   17   20 o   74.834   2.2441  5462.59  184.199  5479.49  621.802  5460.96  192.855   74.701   4.2881   74.968   1.3252 -0.2667770 4.488170 
1 1 1  -10   17   21 o  110.713   3.0787 12834.41  382.803 11114.53  1208.51 13026.21  403.585  105.710   5.8894  115.716   1.7967 -10.00513 6.157340 
1 1 1  -10   17   22 o   37.154   5.0610  1375.31   98.438  1466.24  735.121  1373.65   99.333   36.717   10.030   37.591   1.3613 -0.8740578 10.12194 
1 1 1  -10   17   23 o   66.763   1.0492  4367.02  134.846  4016.54  198.811  4665.62  183.509   64.253   1.5940   69.273   1.3647 -5.019142 2.098348 
1 1 1  -10   17   24 o   32.343   1.3371  1033.68   79.264  974.575  134.687  1065.00   98.040   31.603   2.1955   33.082   1.5267 -1.479252 2.674115 
1 1 1  -10   17   25 o   97.570   1.3147  9276.82  248.529  9355.10  363.644  9208.21  340.447   97.943   1.9127   97.196   1.8044 0.7466431 2.629477 
1 1 1  -10   17   26 o   52.506   1.1239  2713.40  112.827  2524.16  171.713  2857.17  149.672   50.856   1.7394   54.156   1.4237 -3.299988 2.247780 
1 1 1  -10   17   27 o   15.266   2.7442  232.895   81.421  315.618  127.999  176.673  105.523   17.398   3.8878   13.134   3.8740 4.264814 5.488478 
1 1 1  -10   17   28 f   47.089   1.2021  2177.87  108.498  2132.44  166.211  2211.60  143.221   46.625   1.8364   47.554   1.5515 -0.9294205 2.404107 
1 1 1  -10   17   29 o   22.282   1.9475  504.662   80.192  473.922  133.355  522.075  100.366   21.626   3.1767   22.939   2.2539 -1.313848 3.895089 
1 1 1  -10   17   30 o   48.360   1.1804  2307.26  109.342  2313.33  168.896  2302.89  143.465   48.349   1.7995   48.370   1.5279 -0.2049637E-01 2.360705 
1 1 1  -10   17   31 o   13.853   2.9163  216.234   90.782  109.073  136.639  300.920  121.467   11.239   4.3673   16.467   3.8660 -5.228028 5.832618 
1 1 1  -10   17   32 o   23.194   2.2717  578.712  100.045  511.549  151.509  630.637  133.218   21.738   3.5905   24.649   2.7841 -2.911697 4.543492 
1 1 1  -10   17   33 o   13.535   3.0710  227.530   99.625  106.623  160.148  303.855  127.243   11.108   4.5836   15.963   4.0884 -4.855113 6.142013 
1 1 1  -10   18    1 f  193.398   1.1256 36310.70  422.573 36215.17  594.624 36408.17  600.637  193.141   1.5860  193.655   1.5978 -0.5136108 2.251287 
1 1 1  -10   18    2 o  324.325   1.6849 102269.60  1058.97 99750.92  1532.02 104574.00  1465.43  320.491   2.4625  328.159   2.3005 -7.668732 3.369899 
1 1 1  -10   18    3 o  299.239   1.4490 87007.13  832.540 87369.80  1100.58 86521.99  1272.92  299.978   1.8900  298.500   2.1968 1.476929 2.897943 
1 1 1  -10   18    4 o  139.977   0.9994 19022.13  270.866 19036.38  370.159 19005.71  397.418  140.035   1.3617  139.920   1.4632 0.1147766 1.998805 
1 1 1  -10   18    5 o  295.480   1.5890 84848.49  897.436 85171.13  1172.18 84391.50  1395.05  296.172   2.0388  294.789   2.4379 1.383331 3.178083 
1 1 1  -10   18    6 o  141.304   0.9994 19364.45  272.897 19190.59  368.122 19576.56  406.611  140.602   1.3488  142.006   1.4751 -1.404526 1.998737 
1 1 1  -10   18    7 o  105.363   1.0871 10908.53  214.902 10245.92  346.542 11322.58  273.936  102.728   1.7378  107.998   1.3067 -5.269928 2.174247 
1 1 1  -10   18    8 o  191.034   1.8158 35453.14  673.290 35847.35  949.314 35054.13  955.064  192.104   2.5457  189.964   2.5900 2.139984 3.631603 
1 1 1  -10   18    9 o  109.175   1.1228 11614.46  227.367 11429.13  381.338 11716.69  283.213  108.491   1.8107  109.858   1.3281 -1.367485 2.245534 
1 1 1  -10   18   10 o  182.269   1.6218 32342.44  559.045 31951.81  895.552 32591.86  715.598  181.349   2.5440  183.190   2.0123 -1.841400 3.243653 
1 1 1  -10   18   11 o  174.631   1.3095 29505.08  425.267 30012.01  714.991 29227.56  529.016  175.771   2.0955  173.490   1.5708 2.280258 2.618900 
1 1 1  -10   18   12 o   48.887   0.7433  2341.02   67.840  2242.84  111.333  2399.00   85.559   48.063   1.1933   49.712   0.8866 -1.648724 1.486631 
1 1 1  -10   18   13 o  184.917   1.3461 33263.28  464.264 33049.18  770.873 33385.14  581.565  184.427   2.1532  185.407   1.6159 -0.9793243 2.692118 
1 1 1  -10   18   14 o   36.617   3.1446  1388.83  205.443  1080.40  345.846  1557.02  255.386   33.238   5.3603   39.995   3.2895 -6.757500 6.289105 
1 1 1  -10   18   15 o   36.342   0.8000  1312.97   54.393  1156.09   86.557  1415.35   69.924   34.503   1.2924   38.181   0.9434 -3.678505 1.600090 
1 1 1  -10   18   16 o   68.256   2.0932  4417.29  144.851  4683.09  540.882  4396.75  150.342   69.226   4.0250   67.286   1.1510 1.939987 4.186347 
1 1 1  -10   18   17 o  192.781   1.8726 35991.91  635.480 36663.19  1186.37 35721.80  752.547  193.903   3.1519  191.660   2.0227 2.243011 3.745100 
1 1 1  -10   18   18 o  125.966   1.9791 15459.46  387.708 15464.97  864.549 15458.07  433.772  125.831   3.5394  126.100   1.7721 -0.2690506 3.958272 
1 1 1  -10   18   19 o   77.992   2.6232  6462.57  211.135  5367.84  724.940  6564.03  220.703   73.795   5.0607   82.189   1.3833 -8.394730 5.246385 
1 1 1  -10   18   20 o  169.421   2.0008 28312.88  574.094 27368.46  1124.50 28645.82  667.661  167.270   3.4632  171.572   2.0047 -4.301514 4.001544 
1 1 1  -10   18   21 o  105.390   2.8435 10433.42  319.593 11494.08  1136.48 10342.33  333.032  107.658   5.4382  103.122   1.6637 4.535965 5.686953 
1 1 1  -10   18   22 o   31.219   5.6994  1059.45   88.812  731.568  910.602  1062.60   89.238   29.379   11.314   33.059   1.3906 -3.680183 11.39873 
1 1 1  -10   18   23 o   80.213   1.1273  6262.52  173.367  6247.42  266.789  6273.55  228.090   80.114   1.7155   80.313   1.4630 -0.1988754 2.254659 
1 1 1  -10   18   24 o   31.908   1.3643  990.126   79.301  998.742  138.865  985.957   96.603   31.988   2.2363   31.828   1.5635 0.1599083 2.728698 
1 1 1  -10   18   25 o   56.451   1.0862  3104.75  116.970  3092.82  183.029  3113.00  152.079   56.342   1.6735   56.559   1.3852 -0.2173805 2.172375 
1 1 1  -10   18   26 o   92.473   1.2855  8333.65  230.036  8595.59  341.203  8115.38  311.467   93.784   1.8742   91.163   1.7601 2.620483 2.571090 
1 1 1  -10   18   27 o   22.976   1.9408  497.394   84.171  699.426  135.515  370.498  107.399   26.613   2.6231   19.338   2.8610 7.275095 3.881523 
1 1 1  -10   18   28 o   14.313   2.7243  224.829   79.543  141.934  127.935  277.068  101.559   12.294   4.3230   16.332   3.3166 -4.038430 5.448694 
1 1 1  -10   18   29 o   13.435   2.8778  179.988   81.507  258.531  129.942  129.040  104.655   15.426   4.2181   11.444   3.9159 3.981693 5.755622 
1 1 1  -10   18   30 o   33.119   1.4489  1096.39   92.429  1055.42  137.976  1129.75  124.491   32.497   2.1873   33.741   1.9007 -1.244247 2.897723 
1 1 1  -10   18   31 f   8.6807   2.6866 -21.8076   85.173   61.156  137.964 -72.9006  108.269   10.256   4.2450   7.1054   3.2941 3.150757 5.373177 
1 1 1  -10   18   32 o   11.623   2.8314  135.960   90.263 -22.6230  145.124  236.012  115.273   8.9301   4.0126   14.316   3.9958 -5.385412 5.662828 
1 1 1  -10   18   33 o   11.137   3.0632   83.513  104.388  246.799  157.199 -45.2889  139.616   13.976   4.7988   8.2983   3.8085 5.677233 6.126475 
1 1 1  -10   19    1 o  167.234   1.0485 27140.71  340.290 26721.03  474.993 27583.23  487.748  165.907   1.4749  168.562   1.4906 -2.654999 2.096964 
1 1 1  -10   19    2 o  235.154   1.3090 53734.36  592.717 54059.13  791.046 53318.63  895.003  235.969   1.7270  234.338   1.9675 1.631561 2.617912 
1 1 1  -10   19    3 o  211.314   1.2420 43398.94  506.210 43772.25  680.164 42935.42  757.907  212.337   1.6501  210.291   1.8567 2.046646 2.483977 
1 1 1  -10   19    4 o  371.915   1.7155 134602.50  1220.33 135982.91  1599.19 132678.09  1888.20  374.220   2.2014  369.609   2.6317 4.611023 3.431081 
1 1 1  -10   19    5 o  264.688   1.3876 68039.37  705.954 68136.79  935.499 67910.52  1075.90  264.914   1.8192  264.461   2.0958 0.4536743 2.775183 
1 1 1  -10   19    6 o  148.823   1.1767 21503.44  339.871 21519.26  476.257 21487.02  485.168  148.880   1.6479  148.767   1.6800 0.1123962 2.353345 
1 1 1  -10   19    7 o  135.432   1.2835 17866.44  328.577 17555.62  526.346 18064.91  420.597  134.457   2.0166  136.406   1.5884 -1.949051 2.567064 
1 1 1  -10   19    8 o  186.212   1.7645 33686.14  637.721 34295.82  901.274 33074.82  902.474  187.901   2.4709  184.523   2.5195 3.378082 3.528965 
1 1 1  -10   19    9 o  200.068   1.7611 38774.05  674.162 39530.07  1050.43 38244.54  879.106  201.707   2.6827  198.429   2.2823 3.278580 3.522208 
1 1 1  -10   19   10 o  170.770   1.5787 28400.95  509.929 28005.54  816.125 28654.18  653.109  169.775   2.4764  171.764   1.9588 -1.988953 3.157425 
1 1 1  -10   19   11 o   62.462   0.7598  3775.48   81.442  3813.69  158.203  3761.70   94.997   62.672   1.3004   62.251   0.7861 0.4214172 1.519549 
1 1 1  -10   19   12 o   49.288   0.6892  2393.48   54.872  2295.15  115.025  2422.45   62.433   48.620   1.2188   49.956   0.6438 -1.336552 1.378360 
1 1 1  -10   19   13 o  112.008   1.0221 12207.14  211.066 12105.58  359.377 12260.62  260.780  111.643   1.6583  112.374   1.1955 -0.7303696 2.044261 
1 1 1  -10   19   14 o   72.416   0.9031  5064.20  125.562  5276.51  194.100  4911.43  164.653   73.712   1.3565   71.121   1.1926 2.591423 1.806239 
1 1 1  -10   19   15 o  108.788   1.1549 11493.92  242.834 11547.03  360.926 11449.99  328.235  109.012   1.7056  108.563   1.5575 0.4490356 2.309754 
1 1 1  -10   19   16 o   68.901   2.3387  5027.33  165.889  4174.35  571.952  5105.68  173.340   65.296   4.5124   72.505   1.2316 -7.208534 4.677422 
1 1 1  -10   19   17 o   82.121   2.0752  6730.44  208.285  6371.17  614.095  6777.14  221.410   80.718   3.9192   83.523   1.3656 -2.805618 4.150335 
1 1 1  -10   19   18 o   22.589   3.8436  677.475   64.775  136.075  433.651  689.830   65.510   18.530   7.5823   26.648   1.2664 -8.117462 7.687284 
1 1 1  -10   19   19 o   34.636   4.1517  1335.31   81.526  1080.58  514.823  1341.86   82.568   32.105   8.2242   37.167   1.1444 -5.062683 8.303415 
1 1 1  -10   19   20 o   27.740   4.2777  1170.11   81.668  146.283  550.094  1193.19   82.583   20.435   8.4689   35.045   1.2140 -14.60929 8.555423 
1 1 1  -10   19   21 o   48.886   3.7923  2127.07  105.842  2642.62  743.200  2116.40  106.932   51.101   7.4923   46.671   1.1803 4.429295 7.584667 
1 1 1  -10   19   22 o   45.240   1.2167  1989.19  106.851   0.0000   0.0000  1989.19  106.851  ?   ?    45.240   1.2167      ?      ? 
1 1 1  -10   19   23 o   82.722   1.1710  6669.66  187.213  6567.26  276.868  6755.92  254.112   82.124   1.7367   83.320   1.5711 -1.195694 2.341945 
1 1 1  -10   19   24 o   23.209   1.7725  511.988   75.944  573.520  132.408  481.822   92.710   24.197   2.8190   22.221   2.1493 1.975771 3.544916 
1 1 1  -10   19   25 o   22.617   1.9049  479.597   80.737  586.882  137.619  423.291   99.697   24.441   2.9006   20.792   2.4702 3.649715 3.809874 
1 1 1  -10   19   26 o   25.091   1.7108  594.854   81.566  742.327  132.992  505.935  103.269   27.479   2.4932   22.703   2.3433 4.776623 3.421544 
1 1 1  -10   19   27 o   24.928   1.7806  631.828   81.646  549.796  134.174  680.065  102.887   23.529   2.9376   26.327   2.0132 -2.798073 3.561260 
1 1 1  -10   19   28 o   32.404   1.4722  1039.37   90.226  1010.89  143.749  1057.88  115.900   31.980   2.3156   32.828   1.8187 -0.8485775 2.944463 
1 1 1  -10   19   29 o   54.797   1.1213  2959.29  118.198  2881.15  178.233  3020.63  157.919   54.100   1.6972   55.493   1.4660 -1.392979 2.242652 
1 1 1  -10   19   30 o   42.516   1.2284  1769.47   99.250  1874.32  159.222  1702.84  126.927   43.465   1.8871   41.567   1.5730 1.898098 2.456764 
1 1 1  -10   19   31 o   31.415   1.6788  1024.76   99.420  847.778  150.435  1162.00  132.474   28.756   2.6950   34.075   2.0028 -5.319118 3.357694 
1 1 1  -10   19   32 o   10.942   2.9798  114.288   89.884   72.966  145.647  139.706  114.232   10.446   4.3458   11.437   4.0782 -0.9911938 5.959640 
1 1 1  -10   19   33 o   15.168   3.1831  294.236  101.418  249.748  162.385  322.687  129.859   13.971   4.8728   16.366   4.0970 -2.395790 6.366226 
1 1 1  -10   20    1 o  219.271   1.2871 46755.50  544.990 45912.71  809.503 47454.16  737.046  217.457   1.9177  221.085   1.7174 -3.627838 2.574296 
1 1 1  -10   20    2 o  178.184   1.0612 30810.67  366.967 30333.01  512.059 31315.02  526.169  176.764   1.4923  179.602   1.5092 -2.838074 2.122426 
1 1 1  -10   20    3 o  146.755   1.0265 20909.29  291.370 20924.81  395.711 20890.91  430.615  146.816   1.3885  146.695   1.5122 0.1214905 2.052958 
1 1 1  -10   20    4 o  135.356   0.9712 17781.18  254.344 17729.86  345.721 17841.73  375.515  135.144   1.3178  135.568   1.4269 -0.4236603 1.942385 
1 1 1  -10   20    5 o  312.359   1.4958 94822.30  896.906 95276.80  1185.01 94212.77  1372.34  313.247   1.9488  311.470   2.2698 1.776825 2.991604 
1 1 1  -10   20    6 o  165.867   1.2954 26704.68  416.920 26431.93  579.946 26996.40  599.783  164.991   1.8108  166.742   1.8530 -1.750870 2.590871 
1 1 1  -10   20    7 o   64.081   0.9250  3982.89  114.948  3909.86  158.531  4063.84  166.915   63.462   1.2869   64.699   1.3290 -1.237133 1.849946 
1 1 1  -10   20    8 o   44.905   0.9100  1955.83   79.227  1992.76  115.289  1922.78  109.059   45.306   1.3109   44.504   1.2624 0.8022194 1.819912 
1 1 1  -10   20    9 o  198.062   2.5219 37944.21  862.524 37698.35  1009.12 38610.84  1661.66  196.970   2.6392  199.154   4.2982 -2.184769 5.043818 
1 1 1  -10   20   10 o  119.861   2.7626 13809.07  409.604 13756.83  434.974 14218.08  1217.16  119.011   1.8828  120.710   5.1944 -1.698555 5.525144 
1 1 1  -10   20   11 o  102.054   1.0551 10164.19  199.898  9940.24  334.124 10289.04  249.470  101.166   1.7014  102.942   1.2484 -1.775681 2.110297 
1 1 1  -10   20   12 o   60.425   0.7332  3512.16   74.634  3610.35  149.802  3479.73   86.078   60.978   1.2655   59.872   0.7406 1.105747 1.466333 
1 1 1  -10   20   13 o   44.206   0.7111  1877.93   56.912  1950.31  101.581  1844.81   68.708   44.819   1.1676   43.593   0.8119 1.225224 1.422149 
1 1 1  -10   20   14 o  113.115   1.1574 12447.75  253.394 12172.50  370.590 12689.43  347.255  111.935   1.7055  114.295   1.5651 -2.360664 2.314857 
1 1 1  -10   20   15 o  105.475   1.1518 10800.00  232.677 10867.40  360.231 10751.75  304.785  105.748   1.7549  105.202   1.4925 0.5458984 2.303689 
1 1 1  -10   20   16 f   85.445   2.0833  7456.06  221.717  6672.96  630.490  7566.57  236.844   82.633   3.9306   88.257   1.3825 -5.623695 4.166638 
1 1 1  -10   20   17 o   64.800   2.3440  4396.39  152.148  3757.39  544.432  4450.52  158.462   61.909   4.5303   67.691   1.2059 -5.782104 4.688017 
1 1 1  -10   20   18 o   64.196   2.8516  4713.45  160.912  3326.81  627.487  4811.05  166.479   58.018   5.5715   70.374   1.2187 -12.35574 5.703249 
1 1 1  -10   20   19 o   61.241   2.6609  3891.57  143.295  3430.68  593.453  3920.10  147.665   58.959   5.1853   63.524   1.1975 -4.564682 5.321733 
1 1 1  -10   20   20 o   79.501   2.8912  6527.66  217.641  5839.78  835.251  6577.77  225.429   76.735   5.6073   82.266   1.4116 -5.531052 5.782302 
1 1 1  -10   20   21 o   85.720   1.4742  7144.10  245.298   0.0000   0.0000  7144.10  245.298  ?   ?    85.720   1.4742      ?      ? 
1 1 1  -10   20   22 o   49.409   1.2592  2372.93  120.770   0.0000   0.0000  2372.93  120.770  ?   ?    49.409   1.2592      ?      ? 
1 1 1  -10   20   23 o   14.317   2.4177  210.989   65.432  197.817  103.415  219.783   84.496   13.930   3.7440   14.704   3.0599 -0.7738771 4.835382 
1 1 1  -10   20   24 o   72.198   1.1029  5083.66  153.616  4986.22  229.145  5163.20  207.026   71.556   1.6497   72.841   1.4641 -1.284454 2.205709 
1 1 1  -10   20   25 o   66.335   1.1018  4286.76  140.445  4289.65  214.423  4284.58  185.864   66.337   1.6651   66.333   1.4434 0.3639221E-02 2.203685 
1 1 1  -10   20   26 o   29.332   1.5146  816.145   83.652  953.933  140.039  739.704  104.306   31.171   2.3144   27.494   1.9544 3.677355 3.029185 
1 1 1  -10   20   27 o   29.331   1.5708  884.282   84.696  706.003  135.227  999.360  108.645   26.713   2.6078   31.949   1.7518 -5.235958 3.141618 
1 1 1  -10   20   28 o   25.422   1.8329  668.616   86.104  535.279  135.725  758.421  111.388   23.104   3.0263   27.739   2.0686 -4.635599 3.665742 
1 1 1  -10   20   29 o   19.523   2.2816  401.397   79.570  374.363  133.535  416.281   99.081   18.664   3.8145   20.381   2.5044 -1.716740 4.563161 
1 1 1  -10   20   30 f   18.298   2.6347  363.827   89.034  358.772  139.603  367.292  115.594   18.004   4.0878   18.591   3.3251 -0.5870819 5.269400 
1 1 1  -10   20   31 o   9.4250   2.8062   41.455   86.034  -4.2734  147.541   65.015  105.904   9.3511   4.1329   9.4988   3.7971 -0.1477203 5.612388 
1 1 1  -10   20   32 o   29.441   1.8297  897.127  104.064  891.971  154.435  901.415  140.839   29.269   2.7182   29.612   2.4501 -0.3434429 3.659429 
1 1 1  -10   20   33 o   12.521   3.1621  190.195   99.485  132.416  160.477  226.262  126.788   11.468   4.6423   13.574   4.2948 -2.106185 6.324280 
1 1 1  -10   21    1 o  376.004   1.5130 137321.30  1104.03 135426.50  1572.14 139165.00  1550.76  373.442   2.1687  378.566   2.1103 -5.124603 3.025982 
1 1 1  -10   21    2 o   89.590   0.8392  7760.88  141.692  7917.84  230.902  7666.08  179.453   90.312   1.3171   88.868   1.0403 1.444267 1.678355 
1 1 1  -10   21    3 o  193.299   1.2093 36295.51  450.458 36430.16  602.417 36124.73  678.423  193.710   1.6021  192.888   1.8119 0.8214111 2.418581 
1 1 1  -10   21    4 o  227.948   1.3070 50463.14  573.840 50539.45  765.626 50365.34  866.828  228.150   1.7287  227.746   1.9607 0.4048004 2.614002 
1 1 1  -10   21    5 o  215.232   1.2614 44971.57  523.096 44910.47  698.154 45049.77  789.842  215.070   1.6723  215.393   1.8890 -0.3228760 2.522892 
1 1 1  -10   21    6 o  219.752   1.6279 46908.09  694.033 47048.83  965.796 46757.79  998.019  220.096   2.2605  219.408   2.3433 0.6873016 3.255894 
1 1 1  -10   21    7 o  221.292   2.0185 47596.21  866.774 48133.16  1213.72 47037.35  1238.25  222.570   2.8092  220.014   2.8993 2.555939 4.037046 
1 1 1  -10   21    8 o   60.804   0.8830  3590.69  104.087  3559.94  150.669  3618.75  143.962   60.555   1.2818   61.054   1.2147 -0.4989014 1.765913 
1 1 1  -10   21    9 o   42.211   4.6832  2133.09  115.589  2154.83  117.353  1426.05  669.148   47.111   1.2832   37.311   9.2781 9.800499 9.366387 
1 1 1  -10   21   10 o   80.719   3.7256  6705.40  233.108  6738.24  238.446  5996.48  1107.84   83.301   1.4746   78.138   7.3039 5.163437 7.451220 
1 1 1  -10   21   11 o   94.369   1.0242  8639.74  180.552  8677.87  299.559  8617.98  226.270   94.526   1.6326   94.212   1.2372 0.3139420 2.048413 
1 1 1  -10   21   12 o   36.645   0.7536  1343.89   36.144  1249.94   98.126  1358.63   38.878   35.878   1.4090   37.413   0.5353 -1.534962 1.507223 
1 1 1  -10   21   13 f   95.752   0.9603  8839.03  166.430  9081.05  296.443  8727.63  201.118   96.693   1.5793   94.811   1.0928 1.882820 1.920543 
1 1 1  -10   21   14 o  149.949   1.3514 21852.91  391.123 21847.45  585.111 21857.33  525.879  149.921   2.0105  149.976   1.8063 -0.5522156E-01 2.702793 
1 1 1  -10   21   15 o   60.374   0.8400  3562.06   97.037  3399.85  148.555  3682.79  128.156   59.164   1.2935   61.584   1.0720 -2.419506 1.679994 
1 1 1  -10   21   16 o   21.673   3.3784  717.401   59.391   30.095  349.966  737.782   60.265   15.784   6.6622   27.562   1.1264 -11.77858 6.756756 
1 1 1  -10   21   17 o   94.159   2.0755  9076.11  262.059  8049.57  681.781  9254.06  283.866   90.729   3.8711   97.590   1.4985 -6.861298 4.151009 
1 1 1  -10   21   18 o   89.587   2.2121  7993.17  237.209  7636.60  717.455  8036.94  251.344   88.233   4.1889   90.941   1.4238 -2.708229 4.424243 
1 1 1  -10   21   19 o   61.077   3.0660  3857.90  140.546  3456.48  689.310  3875.31  143.562   58.994   6.0193   63.160   1.1709 -4.166599 6.132092 
1 1 1  -10   21   20 o   30.302   4.1507  1272.41   80.575  554.924  461.218  1295.00   81.834   24.095   8.2208   36.510   1.1547 -12.41497 8.301494 
1 1 1  -10   21   21 o   29.336   1.3969  836.673   79.552   0.0000   0.0000  836.673   79.552  ?   ?    29.336   1.3969      ?      ? 
1 1 1  -10   21   22 o  103.532   1.8631 10436.89  374.431   0.0000   0.0000 10436.89  374.431  ?   ?   103.532   1.8631      ?      ? 
1 1 1  -10   21   23 o   86.689   1.6228  7315.44  273.088   0.0000   0.0000  7315.44  273.088  ?   ?    86.689   1.6228      ?      ? 
1 1 1  -10   21   24 o   31.734   1.4118  993.353   81.509  950.502  141.127  1014.80   99.846   31.186   2.3312   32.283   1.5933 -1.096802 2.823690 
1 1 1  -10   21   25 o   24.551   1.8489  632.587   81.116  468.944  133.544  728.263  102.112   21.796   3.1564   27.306   1.9265 -5.509905 3.697834 
1 1 1  -10   21   26 o   25.528   1.6861  636.083   81.288  660.538  132.186  621.212  103.083   25.885   2.6307   25.172   2.1096 0.7127686 3.372113 
1 1 1  -10   21   27 o   9.4539   2.6001   27.527   80.667 -148.7731  133.382  129.195  101.290   7.3724   3.4925   11.535   3.8529 -4.162850 5.200220 
1 1 1  -10   21   28 f   59.135   1.1071  3431.92  124.729  3397.52  195.576  3455.50  161.936   58.829   1.7126   59.440   1.4035 -0.6103935 2.214206 
1 1 1  -10   21   29 o   23.325   2.0320  577.283   86.908  450.447  137.426  661.813  112.190   20.892   3.3886   25.758   2.2438 -4.865509 4.064094 
1 1 1  -10   21   30 o   14.189   2.8901  225.640   82.890  200.136  138.225  239.961  103.581   13.549   4.4999   14.830   3.6279 -1.281504 5.780233 
1 1 1  -10   21   31 o   28.325   1.8612  837.554   99.360  754.313  155.276  895.271  129.297   26.898   2.9738   29.752   2.2387 -2.854013 3.722310 
1 1 1  -10   21   32 o   13.747   3.0403  203.742   92.653  334.437  147.681  118.905  118.983   16.612   4.4780   10.882   4.1137 5.730680 6.080682 
1 1 1  -10   22    1 o   55.660   0.5651  3003.45   60.985  2936.84   83.836  3078.31   88.876   55.005   0.7852   56.315   0.8130 -1.309132 1.130254 
1 1 1  -10   22    2 o  165.869   1.0691 26711.38  344.215 26751.80  484.953 26670.32  488.656  165.996   1.5050  165.742   1.5188 0.2534180 2.138184 
1 1 1  -10   22    3 o  122.099   0.9889 14482.29  229.735 14428.02  362.473 14518.73  297.009  121.905   1.5318  122.294   1.2511 -0.3886948 1.977773 
1 1 1  -10   22    4 f   72.639   0.8293  5161.87  108.907  5233.25  132.342  5012.12  191.686   73.425   0.9285   71.852   1.3743 1.572815 1.658576 
1 1 1  -10   22    5 o  136.188   0.9800 17990.55  258.301 17811.98  351.026 18201.42  381.452  135.452   1.3350  136.923   1.4352 -1.470200 1.960089 
1 1 1  -10   22    6 o   44.340   0.9114  1911.14   77.687  1927.12  103.185  1890.22  118.039   44.555   1.1930   44.125   1.3781 0.4300575 1.822777 
1 1 1  -10   22    7 o  147.615   1.5644 21166.19  448.191 21222.95  628.708 21107.54  639.096  147.817   2.1911  147.412   2.2334 0.4045868 3.128732 
1 1 1  -10   22    8 o  101.347   1.2207  9965.79  240.044  9674.69  333.458 10278.88  345.828   99.813   1.7210  102.882   1.7316 -3.069168 2.441419 
1 1 1  -10   22    9 o   28.733   4.8546  723.688   83.936  720.651   84.691  891.831  630.175   27.241   1.6016   30.226   9.5761 -2.984669 9.709151 
1 1 1  -10   22   10 f  160.879   2.7971 24904.31  645.187 24756.28  704.295 25676.81  1608.91  159.610   2.2732  162.148   5.1116 -2.538269 5.594239 
1 1 1  -10   22   11 o  171.196   2.7337 28597.74  731.033 28633.17  819.362 28459.48  1618.60  171.636   2.4593  170.756   4.8831 0.8791656 5.467432 
1 1 1  -10   22   12 o  147.373   1.4252 21185.34  396.274 20742.10  637.293 21464.75  505.987  146.093   2.2472  148.654   1.7535 -2.560532 2.850376 
1 1 1  -10   22   13 o   58.532   0.7285  3404.06   73.151  3159.51  139.104  3497.54   86.003   57.040   1.2563   60.024   0.7381 -2.983807 1.457089 
1 1 1  -10   22   14 o   54.874   0.7999  2896.25   82.511  3033.56  136.173  2816.59  103.719   55.888   1.2552   53.859   0.9920 2.029396 1.599884 
1 1 1  -10   22   15 o  121.601   1.2328 14401.31  289.693 14025.15  427.478 14720.77  393.949  120.121   1.8333  123.081   1.6489 -2.959953 2.465694 
1 1 1  -10   22   16 o   58.662   0.8203  3317.14   92.319  3500.61  143.469  3187.49  120.605   60.033   1.2311   57.290   1.0845 2.743050 1.640648 
1 1 1  -10   22   17 o   32.130   4.0651  1437.12   75.763  646.714  447.150  1460.48   76.875   25.481   8.0659   38.780   1.0212 -13.29875 8.130239 
1 1 1  -10   22   18 o  100.699   2.1840 10297.82  300.788  9342.04  768.463 10470.74  326.867   97.617   4.0554  103.782   1.6225 -6.164856 4.367919 
1 1 1  -10   22   19 o   21.892   4.3519  541.464   65.170   19.934  596.488  547.765   65.563   20.043   8.5868   23.740   1.4227 -3.697287 8.703896 
1 1 1  -10   22   20 o   62.677   1.2221  3817.10  148.688   0.0000   0.0000  3817.10  148.688  ?   ?    62.677   1.2221      ?      ? 
1 1 1  -10   22   21 o  112.706   1.9900 12372.92  435.367   0.0000   0.0000 12372.92  435.367  ?   ?   112.706   1.9900      ?      ? 
1 1 1  -10   22   22 o  135.681   2.3769 17966.61  626.022   0.0000   0.0000 17966.61  626.022  ?   ?   135.681   2.3769      ?      ? 
1 1 1  -10   22   23 o   62.138   1.3640  3755.35  164.531   0.0000   0.0000  3755.35  164.531  ?   ?    62.138   1.3640      ?      ? 
1 1 1  -10   22   24 o   53.405   1.0680  2806.10  108.518  2615.06  167.952  2943.01  142.182   51.811   1.6699   55.000   1.3317 -3.189827 2.135931 
1 1 1  -10   22   25 o   40.629   1.1798  1560.87   90.245  1811.14  151.014  1421.84  112.554   43.066   1.8064   38.192   1.5182 4.873997 2.359662 
1 1 1  -10   22   26 o   24.974   1.7209  610.822   80.315  625.805  133.622  602.347  100.494   25.166   2.7352   24.782   2.0890 0.3845730 3.441711 
1 1 1  -10   22   27 o   36.698   1.3152  1302.00   91.008  1401.46  149.757  1243.77  114.596   37.751   2.0436   35.644   1.6562 2.107754 2.630455 
1 1 1  -10   22   28 o   33.275   1.3637  1056.48   84.684  1218.43  144.753  972.216  104.418   35.096   2.1248   31.454   1.7101 3.641300 2.727487 
1 1 1  -10   22   29 o   26.708   1.6835  680.714   85.139  912.240  139.244  542.475  107.595   30.160   2.3784   23.256   2.3834 6.903830 3.367069 
1 1 1  -10   22   30 o   28.222   1.7220  794.384   92.660  858.082  147.587  752.940  119.047   29.058   2.6165   27.385   2.2395 1.673515 3.443987 
1 1 1  -10   22   31 o   33.643   1.6261  1153.69  101.494  1131.86  169.229  1165.96  126.838   33.167   2.6285   34.120   1.9150 -0.9527168 3.252117 
1 1 1  -10   22   32 o   20.792   2.5552  481.427  100.832  500.535  148.296  464.997  137.510   20.963   3.7835   20.621   3.4353 0.3424988 5.110417 
1 1 1  -10   23    1 o  128.717   1.0400 16100.20  253.435 16152.44  324.652 16018.70  405.503  128.989   1.2966  128.445   1.6263 0.5434418 2.079927 
1 1 1  -10   23    2 o  287.970   1.3477 80530.71  753.248 80734.88  1056.41 80319.55  1074.33  288.343   1.8874  287.598   1.9244 0.7453613 2.695424 
1 1 1  -10   23    3 o  278.207   1.3367 75160.20  721.862 75286.30  1017.56 75032.45  1024.21  278.443   1.8826  277.972   1.8981 0.4709167 2.673391 
1 1 1  -10   23    4 o  163.339   1.1893 25916.48  376.481 25696.52  546.955 26114.53  518.993  162.678   1.7320  164.000   1.6302 -1.321716 2.378582 
1 1 1  -10   23    5 o  205.137   1.7915 41165.31  689.897 42036.09  875.974 39742.89  1119.57  208.039   2.1691  202.235   2.8519 5.804520 3.583044 
1 1 1  -10   23    6 f  137.789   1.5069 18430.10  402.913 18064.03  560.653 18821.08  579.421  136.375   2.1178  139.202   2.1443 -2.827118 3.013840 
1 1 1  -10   23    7 o   78.137   1.0202  5926.43  154.709  6012.85  221.259  5843.76  216.404   78.694   1.4484   77.580   1.4370 1.114151 2.040308 
1 1 1  -10   23    8 f  158.573   2.6174 24802.29  646.176 25027.80  724.865 23929.52  1426.02  160.490   2.3267  156.657   4.6893 3.832977 5.234824 
1 1 1  -10   23    9 o   60.214   3.9182  3582.38  146.059  3584.53  148.039  3503.79  895.919   60.760   1.2551   59.667   7.7352 1.093124 7.836338 
1 1 1  -10   23   10 o   75.908   3.9438  5299.00  199.851  5278.04  202.799  6004.08  1176.22   73.725   1.4171   78.091   7.7593 -4.365990 7.887668 
1 1 1  -10   23   11 o  100.357   3.0160  9406.17  303.819  9339.04  314.891 10310.78  1155.89   98.060   1.6543  102.654   5.8007 -4.593887 6.031933 
1 1 1  -10   23   12 o   93.973   1.2076  8558.03  219.047  8394.01  293.333  8764.81  329.342   92.961   1.6255   94.985   1.7862 -2.023621 2.415116 
1 1 1  -10   23   13 o  116.519   1.1665 13223.73  252.885 13073.04  421.748 13308.31  315.990  115.983   1.8732  117.055   1.3906 -1.072380 2.333007 
1 1 1  -10   23   14 o  102.331   1.1290 10192.15  223.332  9969.76  329.359 10381.43  303.859  101.290   1.6751  103.372   1.5143 -2.081223 2.258082 
1 1 1  -10   23   15 o   62.654   0.8123  3825.23   98.273  3669.20  144.864  3958.26  133.758   61.464   1.2142   63.844   1.0793 -2.379654 1.624507 
1 1 1  -10   23   16 o   94.517   1.0745  8688.40  196.379  8587.96  289.835  8773.64  267.011   94.007   1.5883   95.028   1.4475 -1.020752 2.148918 
1 1 1  -10   23   17 o   73.797   2.2781  5173.15  168.819  5491.26  636.552  5149.08  175.089   74.791   4.3845   72.803   1.2389 1.987984 4.556178 
1 1 1  -10   23   18 o   65.075   3.0452  4344.79  152.396  3955.33  731.875  4362.44  155.812   63.137   5.9715   67.012   1.1978 -3.874767 6.090491 
1 1 1  -10   23   19 o  107.579   1.6391 11253.65  342.286   0.0000   0.0000 11253.65  342.286  ?   ?   107.579   1.6391      ?      ? 
1 1 1  -10   23   20 o   42.096   1.1778  1721.81   96.245   0.0000   0.0000  1721.81   96.245  ?   ?    42.096   1.1778      ?      ? 
1 1 1  -10   23   21 o   18.563   2.0588  335.789   74.190   0.0000   0.0000  335.789   74.190  ?   ?    18.563   2.0588      ?      ? 
1 1 1  -10   23   22 o   83.049   1.5739  6712.32  253.733   0.0000   0.0000  6712.32  253.733  ?   ?    83.049   1.5739      ?      ? 
1 1 1  -10   23   23 o   16.324   2.6177  260.712   82.952   0.0000   0.0000  260.712   82.952  ?   ?    16.324   2.6177      ?      ? 
1 1 1  -10   23   24 o   25.032   1.7905  668.780   76.774  486.272  135.409  755.246   93.203   22.228   3.1383   27.836   1.7249 -5.608416 3.581042 
1 1 1  -10   23   25 o   43.879   1.1580  1881.02   95.155  1870.90  156.509  1886.96  119.849   43.754   1.8427   44.005   1.4030 -0.2506638 2.316059 
1 1 1  -10   23   26 o   37.268   1.2633  1367.36   88.646  1324.29  142.799  1394.37  113.071   36.748   2.0018   37.787   1.5415 -1.038616 2.526550 
1 1 1  -10   23   27 o   38.510   1.2402  1448.89   90.136  1475.86  146.206  1432.35  114.479   38.754   1.9435   38.266   1.5412 0.4879837 2.480402 
1 1 1  -10   23   28 o   17.941   2.4876  337.954   81.081  328.749  136.498  342.974  100.789   17.420   4.1040   18.462   2.8124 -1.041878 4.975165 
1 1 1  -10   23   29 o   26.125   1.6989  641.864   83.181  877.474  141.875  518.453  102.680   29.514   2.4763   22.735   2.3266 6.778961 3.397850 
1 1 1  -10   23   30 o   11.954   2.8147  138.066   91.386 -39.0858  145.488  253.511  117.447   8.8607   3.9961   15.048   3.9651 -6.186841 5.629484 
1 1 1  -10   23   31 o   12.361   2.9830  163.696   94.837   44.231  145.110  252.768  125.299   9.9746   4.2533   14.747   4.1835 -4.772797 5.965917 
1 1 1  -10   23   32 o   12.332   3.0501  133.068   96.456  317.327  157.251   21.924  122.130   15.830   4.7435   8.8348   3.8356 6.995196 6.100266 
1 1 1  -10   24    1 o  330.174   1.4194 105873.10  909.682 105951.30  1279.99 105793.40  1293.08  330.299   1.9963  330.050   2.0183 0.2483215 2.838801 
1 1 1  -10   24    2 o   78.644   0.7605  5939.69  111.393  5782.91  138.290  6229.37  187.975   77.184   0.9230   80.105   1.2089 -2.920441 1.520944 
1 1 1  -10   24    3 o  231.447   1.2442 52001.34  558.870 51346.66  780.467 52690.29  800.641  229.953   1.7484  232.941   1.7706 -2.987869 2.488407 
1 1 1  -10   24    4 o  149.883   1.2286 21715.94  349.401 22275.33  559.739 21358.81  447.235  151.451   1.9039  148.316   1.5534 3.134308 2.457228 
1 1 1  -10   24    5 o  118.954   1.3504 13743.59  311.783 13920.52  439.935 13565.06  441.926  119.723   1.8930  118.184   1.9263 1.539726 2.700748 
1 1 1  -10   24    6 o   72.226   0.9753  5064.99  136.746  5064.18  193.853  5065.78  192.925   72.220   1.3828   72.232   1.3759 -0.1153564E-01 1.950695 
1 1 1  -10   24    7 o  181.984   1.8180 32190.07  641.775 32219.81  891.374 32158.07  924.759  182.076   2.5220  181.891   2.6191 0.1841431 3.635942 
1 1 1  -10   24    8 o   82.665   2.9024  6458.46  225.586  6430.45  232.771  6891.27  915.018   81.376   1.4736   83.955   5.6146 -2.579826 5.804718 
1 1 1  -10   24    9 o  113.344   3.0370 12626.50  389.516 12650.46  409.429 12398.05  1264.36  114.119   1.8482  112.570   5.7861 1.548851 6.074074 
1 1 1  -10   24   10 o  101.687   3.3741  9671.85  314.245  9617.34  323.577 10576.25  1317.98   99.510   1.6751  103.864   6.5370 -4.354568 6.748212 
1 1 1  -10   24   11 o  174.995   2.7900 30291.37  767.043 30614.12  863.561 29084.83  1669.68  177.452   2.5070  172.539   4.9852 4.913162 5.580042 
1 1 1  -10   24   12 o   59.178   3.9593  3674.83  156.689  3691.76  159.362  3182.99  859.152   61.656   1.3315   56.700   7.8059 4.955395 7.918611 
1 1 1  -10   24   13 f  114.667   1.3575 12769.89  301.983 12490.05  418.253 13074.62  436.466  113.358   1.9007  115.977   1.9387 -2.619019 2.715035 
1 1 1  -10   24   14 o   59.082   0.8382  3409.49   93.519  3304.69  149.657  3476.64  119.787   58.329   1.3217   59.836   1.0313 -1.507046 1.676474 
1 1 1  -10   24   15 o   78.322   0.9540  5943.50  143.386  6061.14  221.079  5858.07  188.381   78.984   1.4419   77.660   1.2496 1.324615 1.908057 
1 1 1  -10   24   16 o   44.756   0.8310  1915.09   65.779  2019.23  122.876  1873.25   77.877   45.589   1.3885   43.922   0.9134 1.666397 1.661985 
1 1 1  -10   24   17 o   67.154   2.9517  4816.56  161.942  4002.17  713.002  4860.85  166.288   63.572   5.7778   70.737   1.2110 -7.165073 5.903347 
1 1 1  -10   24   18 o   75.622   1.2989  5556.46  190.666   0.0000   0.0000  5556.46  190.666  ?   ?    75.622   1.2989      ?      ? 
1 1 1  -10   24   19 o   86.279   1.5610  7237.80  261.435   0.0000   0.0000  7237.80  261.435  ?   ?    86.279   1.5610      ?      ? 
1 1 1  -10   24   20 o   42.744   1.1786  1775.33   97.789   0.0000   0.0000  1775.33   97.789  ?   ?    42.744   1.1786      ?      ? 
1 1 1  -10   24   21 o   81.294   1.5220  6428.08  240.184   0.0000   0.0000  6428.08  240.184  ?   ?    81.294   1.5220      ?      ? 
1 1 1  -10   24   22 o   95.802   1.7456  8938.86  324.625   0.0000   0.0000  8938.86  324.625  ?   ?    95.802   1.7456      ?      ? 
1 1 1  -10   24   23 o   22.629   2.0385  499.548   89.544   0.0000   0.0000  499.548   89.544  ?   ?    22.629   2.0385      ?      ? 
1 1 1  -10   24   24 o   53.903   1.0962  2835.45  111.440  2810.05  179.927  2851.26  141.944   53.682   1.7266   54.123   1.3510 -0.4409065 2.192394 
1 1 1  -10   24   25 o   89.609   1.2504  7832.25  216.977  8031.42  319.724  7662.21  295.419   90.647   1.8170   88.572   1.7182 2.075249 2.500762 
1 1 1  -10   24   26 o   18.332   2.4180  354.232   79.061  307.168  133.877  379.435   97.970   17.072   4.0929   19.592   2.5761 -2.519842 4.836095 
1 1 1  -10   24   27 o   27.928   1.7182  838.862   83.520  599.911  142.051  965.109  103.253   24.481   2.9891   31.376   1.6953 -6.894684 3.436414 
1 1 1  -10   24   28 f   8.3873   2.5945  -7.8543   78.918 -53.0511  132.976   16.719   98.052   8.4173   3.8060   8.3572   3.5269 0.6007957E-01 5.188928 
1 1 1  -10   24   29 o   48.856   1.2146  2360.37  112.359  2353.94  179.615  2364.50  144.016   48.702   1.8999   49.009   1.5138 -0.3063774 2.429236 
1 1 1  -10   24   30 f   10.815   2.8968  106.688   85.689   38.168  142.779  145.261  107.126   9.9345   4.2272   11.695   3.9621 -1.760077 5.793690 
1 1 1  -10   24   31 o   11.409   3.0299  116.837   93.252  203.201  141.850   51.103  123.752   13.263   4.5583   9.5544   3.9929 3.708287 6.059781 
1 1 1  -10   24   32 o   13.370   3.2652  221.772  103.488  198.393  154.796  240.667  139.158   12.828   4.7232   13.912   4.5098 -1.084100 6.530478 
1 1 1  -10   25    1 o  123.238   0.8976 14741.85  214.694 14585.82  300.134 14905.35  307.237  122.571   1.2614  123.906   1.2774 -1.334854 1.795234 
1 1 1  -10   25    2 o  203.554   1.2449 40276.76  489.690 39805.57  725.560 40670.94  663.629  202.454   1.8462  204.654   1.6705 -2.199783 2.489780 
1 1 1  -10   25    3 o  334.303   1.4928 108457.40  964.088 107563.70  1298.59 109554.90  1439.06  332.783   2.0102  335.824   2.2075 -3.041443 2.985649 
1 1 1  -10   25    4 o  144.629   1.1739 20423.67  312.306 20665.88  385.686 19962.44  532.230  145.893   1.3619  143.365   1.9125 2.528442 2.347802 
1 1 1  -10   25    5 o   80.956   0.8959  6337.85  132.311  6289.70  161.242  6437.10  231.495   80.492   1.0320   81.421   1.4647 -0.9289551 1.791712 
1 1 1  -10   25    6 o  106.288   2.6789 11692.96  378.370 10064.47  987.501 11973.18  409.632  101.552   5.0094  111.024   1.9007 -9.471359 5.357831 
1 1 1  -10   25    7 o   79.447   1.0504  6129.92  161.953  6156.87  226.635  6101.79  231.516   79.626   1.4662   79.268   1.5046 0.3580551 2.100882 
1 1 1  -10   25    8 o  112.617   2.8065 12687.80  386.992 12786.95  411.570 11931.24  1136.89  114.733   1.8479  110.501   5.3001 4.231590 5.613018 
1 1 1  -10   25    9 o  100.235   3.3525  9484.40  314.804  9440.20  324.733 10174.35  1282.88   98.588   1.6968  101.881   6.4867 -3.292755 6.705005 
1 1 1  -10   25   10 o   37.780   6.1726  1722.84  111.129  1732.10  111.763  914.497  1044.60   42.234   1.3632   33.326   12.270 8.908363 12.34521 
1 1 1  -10   25   11 o   47.017   5.6401  2497.25  127.263  2507.27  128.425  1951.16  947.902   50.813   1.3020   43.222   11.205 7.590809 11.28023 
1 1 1  -10   25   12 o   72.402   3.8357  5667.83  210.088  5717.86  214.926  4594.18  995.723   76.724   1.4431   68.080   7.5345 8.644073 7.671479 
1 1 1  -10   25   13 o   79.969   0.9228  6199.26  134.538  6246.76  235.222  6176.16  164.014   80.186   1.5112   79.751   1.0594 0.4348831 1.845548 
1 1 1  -10   25   14 o   98.528   1.2023  9434.54  229.767  9439.00  331.862  9430.43  318.433   98.548   1.7348   98.508   1.6653 0.3939819E-01 2.404695 
1 1 1  -10   25   15 o   74.105   0.9443  5344.22  134.878  5252.08  202.265  5418.00  180.995   73.525   1.4172   74.686   1.2484 -1.160576 1.888633 
1 1 1  -10   25   16 o   35.076   0.7591  1202.04   47.862  1175.97   85.313  1214.02   57.818   34.792   1.2632   35.359   0.8424 -0.5673752 1.518298 
1 1 1  -10   25   17 o   12.915   1.7677  162.201   44.317   0.0000   0.0000  162.201   44.317  ?   ?    12.915   1.7677      ?      ? 
1 1 1  -10   25   18 o   98.388   1.6088  9411.70  307.263   0.0000   0.0000  9411.70  307.263  ?   ?    98.388   1.6088      ?      ? 
1 1 1  -10   25   19 o   85.174   1.5278  7053.58  252.609   0.0000   0.0000  7053.58  252.609  ?   ?    85.174   1.5278      ?      ? 
1 1 1  -10   25   20 o  118.767   2.0814 13743.71  479.872   0.0000   0.0000 13743.71  479.872  ?   ?   118.767   2.0814      ?      ? 
1 1 1  -10   25   21 o  100.671   1.8047  9867.25  352.669   0.0000   0.0000  9867.25  352.669  ?   ?   100.671   1.8047      ?      ? 
1 1 1  -10   25   22 o   33.813   1.3363  1111.88   87.713   0.0000   0.0000  1111.88   87.713  ?   ?    33.813   1.3363      ?      ? 
1 1 1  -10   25   23 o   44.835   1.2776  1955.14  111.196   0.0000   0.0000  1955.14  111.196  ?   ?    44.835   1.2776      ?      ? 
1 1 1  -10   25   24 o   63.733   1.0269  3931.28  126.109  4160.19  192.381  3758.81  166.992   65.339   1.5168   62.127   1.3847 3.211174 2.053775 
1 1 1  -10   25   25 o   31.166   1.4670  937.107   83.338  995.208  147.456  909.838  101.020   31.816   2.3875   30.517   1.7053 1.299580 2.934006 
1 1 1  -10   25   26 o   60.454   1.0928  3569.64  125.994  3588.06  197.726  3557.04  163.483   60.546   1.6823   60.363   1.3952 0.1833305 2.185603 
1 1 1  -10   25   27 o   30.616   1.4707  917.745   84.325  951.096  139.955  898.738  105.656   30.988   2.3266   30.245   1.7996 0.7428246 2.941404 
1 1 1  -10   25   28 o   11.907   2.9217  143.415   81.998   99.682  141.761  165.404  100.520   11.330   4.4356   12.485   3.8042 -1.155162 5.843492 
1 1 1  -10   25   29 o   17.986   2.6381  374.016   86.281  262.521  144.985  435.153  107.362   15.260   4.5507   20.713   2.6702 -5.453489 5.276284 
1 1 1  -10   25   30 o   33.605   1.4908  1135.78   95.605  1133.64  149.239  1137.26  124.508   33.469   2.2971   33.741   1.9010 -0.2717323 2.981632 
1 1 1  -10   25   31 o   13.889   3.0421  215.548   88.186  285.308  146.212  175.661  110.559   15.354   4.5679   12.424   4.0190 2.929814 6.084270 
1 1 1  -10   25   32 o   21.477   2.4572  500.737   98.307  658.998  154.194  392.353  127.604   24.535   3.2376   18.420   3.6972 6.114923 4.914401 
1 1 1  -10   26    1 o  208.186   1.1919 42092.54  481.655 42212.34  678.448 41970.81  683.910  208.485   1.6764  207.886   1.6948 0.5986633 2.383801 
1 1 1  -10   26    2 o  202.572   1.1781 39846.06  463.216 39486.21  649.769 40217.94  660.536  201.642   1.6600  203.501   1.6721 -1.858917 2.356184 
1 1 1  -10   26    3 o  168.728   1.2708 27613.43  395.734 27530.70  488.637 27771.13  674.616  168.379   1.4950  169.077   2.0554 -0.6981506 2.541611 
1 1 1  -10   26    4 o  134.235   1.6202 17314.32  311.899 17221.27  340.496 17799.53  777.522  133.178   1.3171  135.292   2.9606 -2.113495 3.240333 
1 1 1  -10   26    5 o   88.299   0.9659  7587.71  154.260  7618.00  187.055  7523.32  272.732   88.582   1.0878   88.016   1.5963 0.5659256 1.931707 
1 1 1  -10   26    6 o   73.838   1.0103  5294.02  144.775  5304.09  207.045  5284.40  202.516   73.906   1.4432   73.770   1.4142 0.1365814 2.020588 
1 1 1  -10   26    7 o  170.356   2.5098 28229.64  714.494 28298.34  1441.86 28207.28  822.594  170.363   4.3599  170.350   2.4876 0.1351929E-01 5.019685 
1 1 1  -10   26    8 o   21.418   5.4832  300.648   78.868  302.615   79.161   35.746  918.550   17.646   2.3109   25.190   10.720 -7.543276 10.96633 
1 1 1  -10   26    9 o  132.393   3.0203 16564.23  485.921 16419.68  514.111 17774.93  1487.88  129.999   2.0373  134.787   5.6866 -4.788040 6.040528 
1 1 1  -10   26   10 o   69.306   3.9176  4393.88  171.619  4376.74  173.864  5044.54  1071.27   67.135   1.3341   71.478   7.7207 -4.343933 7.835145 
1 1 1  -10   26   11 o  136.595   2.8132 18054.15  522.168 17991.88  563.709 18430.50  1385.91  136.042   2.1346  137.148   5.2057 -1.105728 5.626390 
1 1 1  -10   26   12 o   43.538   5.7313  2489.04  122.512  2511.07  123.680  1339.63  893.521   50.848   1.2530   36.229   11.394 14.61914 11.46265 
1 1 1  -10   26   13 o   81.917   3.5013  6510.17  232.316  6502.91  237.788  6662.43  1089.16   81.813   1.4973   82.021   6.8407 -0.2072525 7.002656 
1 1 1  -10   26   14 o   76.334   0.9864  5642.14  145.519  5850.40  217.857  5474.36  195.538   77.599   1.4463   75.069   1.3419 2.529999 1.972892 
1 1 1  -10   26   15 o  109.112   1.2361 11619.24  259.391 11212.73  390.666 11939.75  346.892  107.386   1.8741  110.839   1.6123 -3.452522 2.472177 
1 1 1  -10   26   16 o   58.121   0.8697  3288.19   93.199  3260.88  158.650  3302.58  115.165   57.928   1.4109   58.314   1.0174 -0.3860626 1.739431 
1 1 1  -10   26   17 o   85.683   1.0779  7133.16  177.474  7157.40  271.092  7114.98  234.779   85.801   1.6276   85.565   1.4135 0.2369385 2.155741 
1 1 1  -10   26   18 o  128.638   2.2296 16116.79  556.741   0.0000   0.0000 16116.79  556.741  ?   ?   128.638   2.2296      ?      ? 
1 1 1  -10   26   19 o   68.815   1.2852  4602.17  171.680   0.0000   0.0000  4602.17  171.680  ?   ?    68.815   1.2852      ?      ? 
1 1 1  -10   26   20 o   80.783   1.4696  6346.81  230.448   0.0000   0.0000  6346.81  230.448  ?   ?    80.783   1.4696      ?      ? 
1 1 1  -10   26   21 o   23.132   1.5530  520.708   69.737   0.0000   0.0000  520.708   69.737  ?   ?    23.132   1.5530      ?      ? 
1 1 1  -10   26   22 o   36.376   1.1693  1286.32   82.567   0.0000   0.0000  1286.32   82.567  ?   ?    36.376   1.1693      ?      ? 
1 1 1  -10   26   23 o   17.469   2.1638  298.091   73.375   0.0000   0.0000  298.091   73.375  ?   ?    17.469   2.1638      ?      ? 
1 1 1  -10   26   24 f   71.088   1.4193  4923.96  195.858   0.0000   0.0000  4923.96  195.858  ?   ?    71.088   1.4193      ?      ? 
1 1 1  -10   26   25 o   19.537   2.0604  315.393   69.528  598.321  136.043  215.365   80.890   24.586   2.8505   14.488   2.9759 10.09809 4.120819 
1 1 1  -10   26   26 o   54.997   1.0624  2928.46  110.190  3073.78  180.321  2841.86  139.204   56.033   1.6578   53.961   1.3289 2.072426 2.124721 
1 1 1  -10   26   27 f   30.839   1.4191  913.857   80.537  1016.42  141.085  864.279   98.090   32.017   2.2701   29.661   1.7036 2.356024 2.838226 
1 1 1  -10   26   28 o   32.146   1.4871  1047.36   85.324  977.792  151.515  1079.67  103.252   31.184   2.5030   33.108   1.6066 -1.924177 2.974244 
1 1 1  -10   26   29 o   9.0640   2.7152   26.559   77.707   37.579  138.373   21.483   93.914   9.9020   4.1849   8.2261   3.4605 1.675890 5.430357 
1 1 1  -10   26   30 o   23.054   2.0575  531.416   89.573  648.689  149.218  465.353  111.996   24.865   3.0915   21.243   2.7160 3.622526 4.115071 
1 1 1  -10   26   31 o   22.511   2.1538  511.863   91.725  692.972  150.090  403.899  115.884   25.542   3.0271   19.479   3.0647 6.063110 4.307619 
1 1 1  -10   27    1 o  298.029   1.3923 86292.13  805.454 86941.03  1135.66 85635.34  1142.54  299.158   1.9556  296.900   1.9824 2.258545 2.784672 
1 1 1  -10   27    2 o  247.430   1.5049 59321.43  694.574 58902.58  867.811 60068.00  1158.59  246.254   1.8154  248.607   2.4008 -2.352844 3.009891 
1 1 1  -10   27    3 o  228.635   1.4598 50918.37  622.952 51269.41  781.716 50307.50  1031.19  229.750   1.7528  227.521   2.3348 2.228912 2.919528 
1 1 1  -10   27    4 f   70.191   0.7884  4794.71   99.307  4813.33  119.609  4753.40  178.168   70.415   0.8751   69.967   1.3118 0.4476929 1.576881 
1 1 1  -10   27    5 o   61.103   3.8585  4048.75  107.551  4061.44  108.410  3257.04  856.310   64.682   0.8634   57.525   7.6685 7.157043 7.716934 
1 1 1  -10   27    6 o   28.183   1.1607  764.381   63.190  699.655   84.469  846.637   95.222   26.840   1.6212   29.525   1.6614 -2.684525 2.321371 
1 1 1  -10   27    7 o   97.771   1.2340  9285.52  234.170  9217.63  332.997  9351.94  329.366   97.417   1.7609   98.125   1.7292 -0.7084274 2.467961 
1 1 1  -10   27    8 o   92.830   4.4650  8407.41  770.087  8311.74  956.773  8583.41  1297.67   92.213   5.3451   93.447   7.1537 -1.234413 8.930038 
1 1 1  -10   27    9 o   44.987   6.2661  2583.62  132.707  2601.71  133.756  1443.26  1061.76   51.761   1.3312   38.212   12.461 13.54858 12.53211 
1 1 1  -10   27   10 f  126.049   3.1727 16038.25  484.073 16187.99  514.256 14873.82  1434.07  129.053   2.0528  123.044   6.0041 6.009598 6.345307 
1 1 1  -10   27   11 o   41.091   5.6278  2147.26  117.529  2164.78  118.649  1232.07  857.571   47.211   1.2946   34.970   11.181 12.24093 11.25557 
1 1 1  -10   27   12 o   87.670   3.4312  7627.21  269.899  7639.37  278.062  7429.33  1122.10   88.669   1.6155   86.672   6.6694 1.996689 6.862311 
1 1 1  -10   27   13 o   64.364   5.0515  4378.58  181.222  4391.22  183.345  3842.11  1194.31   67.232   1.4048   61.495   10.005 5.736458 10.10296 
1 1 1  -10   27   14 o   69.795   0.9549  4720.71  127.939  4808.58  196.963  4656.58  168.273   70.351   1.4423   69.239   1.2520 1.112167 1.909880 
1 1 1  -10   27   15 o  145.921   1.6827 20730.04  476.278 20635.09  659.943 20833.26  688.052  145.581   2.3353  146.261   2.4234 -0.6797943 3.365473 
1 1 1  -10   27   16 o  101.246   1.2031  9965.29  232.104  9976.00  364.963  9958.01  300.763  101.275   1.8564  101.218   1.5307 0.5709839E-01 2.406155 
1 1 1  -10   27   17 o  117.050   1.4567 13336.88  330.937 13121.54  469.306 13549.86  466.734  116.106   2.0823  117.993   2.0377 -1.886894 2.913451 
1 1 1  -10   27   18 o   68.366   1.2576  4541.65  166.901   0.0000   0.0000  4541.65  166.901  ?   ?    68.366   1.2576      ?      ? 
1 1 1  -10   27   19 o  129.265   2.2454 16286.81  563.442   0.0000   0.0000 16286.81  563.442  ?   ?   129.265   2.2454      ?      ? 
1 1 1  -10   27   20 o  100.507   1.7719  9832.85  345.697   0.0000   0.0000  9832.85  345.697  ?   ?   100.507   1.7719      ?      ? 
1 1 1  -10   27   21 o   15.870   2.1286  245.717   65.578   0.0000   0.0000  245.717   65.578  ?   ?    15.870   2.1286      ?      ? 
1 1 1  -10   27   22 o   58.200   1.2150  3293.49  137.260   0.0000   0.0000  3293.49  137.260  ?   ?    58.200   1.2150      ?      ? 
1 1 1  -10   27   23 o   9.6853   3.2137   87.974   70.506   0.0000   0.0000   87.974   70.506  ?   ?    9.6853   3.2137      ?      ? 
1 1 1  -10   27   24 o   28.858   1.5411  812.285   86.330   0.0000   0.0000  812.285   86.330  ?   ?    28.858   1.5411      ?      ? 
1 1 1  -10   27   25 o   9.9999   2.6964   74.579   67.058   59.340  130.585   80.038   78.150   10.470   4.2054   9.5299   3.3758 0.9401636 5.392759 
1 1 1  -10   27   26 o   24.641   1.7355  631.166   72.828  535.627  135.947  669.619   86.247   23.141   3.0264   26.141   1.6997 -2.999424 3.470981 
1 1 1  -10   27   27 o   11.284   2.8126  117.368   70.757  128.005  135.768  113.402   82.906   11.927   4.4174   10.641   3.4827 1.286903 5.625195 
1 1 1  -10   27   28 o   11.997   2.5597  166.180   71.768   9.7507  138.224  223.917   83.975   9.4632   4.0945   14.531   3.0731 -5.067902 5.119420 
1 1 1  -10   27   29 o   20.830   2.2402  493.276   76.418  370.394  137.674  547.995   91.870   18.238   3.9989   23.422   2.0206 -5.184361 4.480393 
1 1 1  -10   27   30 o   33.908   1.5031  1162.29   93.960  1154.36  159.387  1166.51  116.322   33.610   2.4430   34.206   1.7518 -0.5962868 3.006189 
1 1 1  -10   27   31 o   13.454   3.0179  221.420   89.331  169.300  152.914  248.424  110.066   12.310   4.6612   14.598   3.8345 -2.288450 6.035722 
1 1 1  -10   28    1 o  155.482   1.2382 23426.88  356.405 23302.28  441.354 23660.41  604.251  154.906   1.4677  156.058   1.9946 -1.151749 2.476468 
1 1 1  -10   28    2 o   79.667   0.8539  6195.37  123.703  6258.03  150.956  6067.26  215.840   80.288   0.9686   79.045   1.4067 1.243057 1.707876 
1 1 1  -10   28    3 o   36.257   0.9506  1274.43   66.464  1259.12   88.758  1293.98  100.280   36.011   1.2697   36.504   1.4152 -0.4934578 1.901290 
1 1 1  -10   28    4 o  155.316   1.2464 23499.70  358.299 23661.35  444.968 23201.59  604.248  156.096   1.4685  154.537   2.0143 1.558868 2.492743 
1 1 1  -10   28    5 o  113.049   1.1756 12460.50  243.435 12559.39  299.014 12266.13  419.215  113.729   1.3544  112.369   1.9219 1.360229 2.351179 
1 1 1  -10   28    6 o   54.793   6.0374  3824.36  154.806  3856.48  156.385  2257.42  1092.30   63.022   1.2783   46.564   12.007 16.45825 12.07484 
1 1 1  -10   28    7 o  109.880   1.3275 11727.12  282.829 11688.98  390.443 11769.22  410.253  109.695   1.8336  110.066   1.9201 -0.3713379 2.655012 
1 1 1  -10   28    8 o   69.515   4.4888  4885.69  193.936  4893.91  196.653  4594.48  1170.71   70.988   1.4271   68.042   8.8635 2.945946 8.977697 
1 1 1  -10   28    9 o   78.930   4.5112  6031.07  684.719  5049.33  910.059  7311.87  1039.47   71.617   6.5462   86.243   6.2090 -14.62547 9.022425 
1 1 1  -10   28   10 o   86.684   3.5568  8011.69  281.384  8106.53  291.030  6651.55  1102.11   91.343   1.6413   82.026   6.9217 9.316673 7.113608 
1 1 1  -10   28   11 f   28.222   5.3149  912.262   76.906  917.618   77.228  274.187  842.908   30.737   1.2943   25.706   10.551 5.030722 10.62987 
1 1 1  -10   28   12 o   26.029   5.7610  145.751   88.141  129.714   88.584  1734.57  881.716   11.556   3.5800   40.502   10.952 -28.94538 11.52202 
1 1 1  -10   28   13 f   62.195   5.7808  4290.96  179.159  4306.61  181.051  3553.69  1242.44   66.580   1.4009   57.809   11.476 8.770123 11.56165 
1 1 1  -10   28   14 o   27.965   0.9144  713.344   22.688  813.361   99.603  707.870   23.301   28.925   1.7739   27.005   0.4445 1.920097 1.828776 
1 1 1  -10   28   15 o   24.278   1.1254  636.830   34.843  491.332   92.679  660.780   37.601   22.469   2.1249   26.088   0.7425 -3.619276 2.250897 
1 1 1  -10   28   16 o   68.320   0.9439  4559.36  124.260  4306.65  184.239  4770.24  168.302   66.569   1.4257   70.072   1.2373 -3.502441 1.887781 
1 1 1  -10   28   17 o   45.572   0.9002  1984.55   71.347  2093.25  137.069  1944.16   83.559   46.403   1.5217   44.741   0.9621 1.661617 1.800331 
1 1 1  -10   28   18 o  131.538   2.2807 16860.20  582.353   0.0000   0.0000 16860.20  582.353  ?   ?   131.538   2.2807      ?      ? 
1 1 1  -10   28   19 o   73.371   1.3488  5233.77  192.107   0.0000   0.0000  5233.77  192.107  ?   ?    73.371   1.3488      ?      ? 
1 1 1  -10   28   20 o   61.708   1.1925  3701.08  142.849   0.0000   0.0000  3701.08  142.849  ?   ?    61.708   1.1925      ?      ? 
1 1 1  -10   28   21 o   59.152   1.1959  3401.42  137.315   0.0000   0.0000  3401.42  137.315  ?   ?    59.152   1.1959      ?      ? 
1 1 1  -10   28   22 o   58.913   1.2196  3375.14  139.471   0.0000   0.0000  3375.14  139.471  ?   ?    58.913   1.2196      ?      ? 
1 1 1  -10   28   23 o   43.039   1.1693  1802.08   97.689   0.0000   0.0000  1802.08   97.689  ?   ?    43.039   1.1693      ?      ? 
1 1 1  -10   28   24 o   9.8186   3.2362   91.907   71.538   0.0000   0.0000   91.907   71.538  ?   ?    9.8186   3.2362      ?      ? 
1 1 1  -10   28   25 o   30.186   1.4440  947.609   72.411  790.615  139.898  1005.06   84.629   28.277   2.5487   32.094   1.3584 -3.817045 2.888059 
1 1 1  -10   28   26 o   61.028   1.0743  3642.11  122.344  3654.33  203.270  3635.18  153.201   61.039   1.7155   61.017   1.2934 0.2258682E-01 2.148505 
1 1 1  -10   28   27 o   19.533   2.0173  346.826   70.662  493.219  135.148  291.751   82.895   21.995   3.1654   17.071   2.5016 4.923786 4.034564 
1 1 1  -10   28   28 o   15.240   2.6094  270.487   72.430  185.740  143.013  299.724   84.000   13.241   4.5754   17.238   2.5104 -3.996343 5.218863 
1 1 1  -10   28   29 o   18.588   2.3119  331.959   74.936  464.488  143.699  282.457   87.822   20.580   3.7345   16.595   2.7262 3.984974 4.623723 
1 1 1  -10   28   30 o   30.358   1.5309  923.506   83.199  959.165  150.841  907.915   99.743   30.534   2.5449   30.182   1.7024 0.3514137 3.061822 
1 1 1  -10   28   31 o   13.545   2.9426  223.551   82.512  195.002  152.919  235.278   98.003   12.785   4.6964   14.305   3.5469 -1.520111 5.885255 
1 1 1  -10   29    1 o  161.714   1.2606 25388.19  377.496 25357.41  468.096 25445.46  638.413  161.592   1.4923  161.836   2.0322 -0.2438965 2.521235 
1 1 1  -10   29    2 o  114.883   1.0422 12953.77  221.467 13286.73  276.224 12354.52  370.569  116.981   1.2164  112.784   1.6926 4.196877 2.084361 
1 1 1  -10   29    3 o   54.312   0.7548  2871.76   71.383  2881.90   84.145  2845.74  134.817   54.487   0.7956   54.137   1.2829 0.3494148 1.509534 
1 1 1  -10   29    4 o  142.580   1.1783 19754.49  309.719 19776.73  382.339 19712.05  528.225  142.712   1.3801  142.448   1.9103 0.2634888 2.356681 
1 1 1  -10   29    5 o   76.160   0.8282  5668.75  115.662  5746.89  142.449  5517.56  198.148   76.940   0.9538   75.380   1.3542 1.559502 1.656327 
1 1 1  -10   29    6 o   88.184   1.1165  7556.62  190.993  7682.31  266.732  7424.37  273.609   88.938   1.5450   87.430   1.6121 1.508354 2.232920 
1 1 1  -10   29    7 o  107.686   1.7766 11265.79  371.385 11265.79  371.385   0.0000   0.0000  107.686   1.7766  ?   ?       ?      ? 
1 1 1  -10   29    8 o   21.817   4.7836  505.609   90.556  517.650   91.118 -461.3092  816.528   23.078   2.0340   20.555   9.3485 2.522762 9.567174 
1 1 1  -10   29    9 o  123.204   3.0557 15064.01  493.388 15146.47  530.244 14531.88  1346.92  124.807   2.1886  121.601   5.7061 3.205429 6.111430 
1 1 1  -10   29   10 o   65.967   4.4838  5084.30  201.981  5149.36  206.098  3504.55  1015.57   72.806   1.4583   59.127   8.8482 13.67830 8.967561 
1 1 1  -10   29   11 f   66.665   4.0020  4287.52  177.686  4281.95  180.423  4467.25  1024.02   66.392   1.3999   66.939   7.8807 -0.5465546 8.004098 
1 1 1  -10   29   12 o   99.192   3.2740  8946.43  302.617  8852.97  311.672 10485.10  1264.60   95.440   1.6823  102.945   6.3283 -7.504700 6.548072 
1 1 1  -10   29   13 o   85.162   4.0270  6657.95  239.620  6623.69  243.501  7707.16  1347.45   82.563   1.5193   87.761   7.9094 -5.198433 8.054047 
1 1 1  -10   29   14 o   44.570   6.8162  3012.95  140.741  3037.50  141.473  657.151  1385.82   55.914   1.3034   33.225   13.570 22.68980 13.63241 
1 1 1  -10   29   15 o   97.363   1.2476  9221.95  235.663  9096.77  337.651  9340.85  329.069   96.715   1.7985   98.011   1.7296 -1.296219 2.495217 
1 1 1  -10   29   16 o   98.701   1.2652  9476.90  241.932  9450.11  353.212  9500.57  332.054   98.563   1.8461   98.839   1.7307 -0.2761917 2.530474 
1 1 1  -10   29   17 f   53.019   0.8696  2769.03   86.057  2588.70  140.292  2877.83  108.966   51.608   1.4004   54.431   1.0313 -2.823425 1.739155 
1 1 1  -10   29   18 o   62.308   1.1780  3772.35  142.485   0.0000   0.0000  3772.35  142.485  ?   ?    62.308   1.1780      ?      ? 
1 1 1  -10   29   19 o   72.698   1.3327  5138.04  188.070   0.0000   0.0000  5138.04  188.070  ?   ?    72.698   1.3327      ?      ? 
1 1 1  -10   29   20 o   18.123   1.6942  319.804   59.603   0.0000   0.0000  319.804   59.603  ?   ?    18.123   1.6942      ?      ? 
1 1 1  -10   29   21 o   45.094   1.1172  1976.55   97.797   0.0000   0.0000  1976.55   97.797  ?   ?    45.094   1.1172      ?      ? 
1 1 1  -10   29   22 o   60.609   1.2427  3573.01  146.208   0.0000   0.0000  3573.01  146.208  ?   ?    60.609   1.2427      ?      ? 
1 1 1  -10   29   23 o   31.094   1.3915  941.888   83.989   0.0000   0.0000  941.888   83.989  ?   ?    31.094   1.3915      ?      ? 
1 1 1  -10   29   24 o   33.516   1.2467  1094.31   81.110   0.0000   0.0000  1094.31   81.110  ?   ?    33.516   1.2467      ?      ? 
1 1 1  -10   29   25 f   33.819   1.3234  1187.69   71.931  1003.54  146.308  1246.38   82.603   31.881   2.3642   35.757   1.1901 -3.876247 2.646797 
1 1 1  -10   29   26 o   10.895   2.5044  126.035   61.534   14.060  130.978  157.750   69.705   9.4900   4.0436   12.301   2.9559 -2.810958 5.008815 
1 1 1  -10   29   27 o   14.607   2.4928  232.218   63.630  201.074  130.557  241.921   72.870   13.672   4.3616   15.543   2.4152 -1.870401 4.985687 
1 1 1  -10   29   28 o   6.3546   2.1676 -115.8340   69.485 -185.9164  138.960 -92.4685   80.236   7.0611   3.4034   5.6481   2.6852 1.413030 4.335183 
1 1 1  -10   29   29 o   22.645   2.1502  585.675   75.645  446.879  146.266  636.353   88.382   20.014   3.9050   25.276   1.8014 -5.261555 4.300462 
1 1 1  -10   29   30 o   14.831   2.4598  303.359   75.965   51.060  151.280  388.426   87.843   10.161   4.3379   19.500   2.3206 -9.339901 4.919600 
1 1 1  -10   29   31 o   42.521   1.3292  1860.20  102.122  1740.44  177.042  1919.92  125.016   41.136   2.2171   43.906   1.4668 -2.769928 2.658416 
1 1 1  -10   30    1 o  181.537   1.3369 32106.35  451.184 32332.44  563.293 31701.66  753.610  182.456   1.5904  180.618   2.1494 1.837982 2.673840 
1 1 1  -10   30    2 o   45.944   0.7681  2044.79   60.435  2039.67   70.427  2059.10  117.699   45.838   0.7915   46.049   1.3167 -0.2111931 1.536282 
1 1 1  -10   30    3 o  155.535   1.2338 23503.23  354.515 23513.72  438.609 23483.46  602.086  155.604   1.4521  155.466   1.9951 0.1385956 2.467557 
1 1 1  -10   30    4 f   46.987   0.8905  2144.74   81.012  2158.17  110.848  2129.35  118.691   47.145   1.2112   46.828   1.3057 0.3173256 1.781001 
1 1 1  -10   30    5 o   49.308   0.7478  2407.59   61.159  2452.87   70.512  2270.05  122.889   50.267   0.7226   48.350   1.3094 1.917896 1.495520 
1 1 1  -10   30    6 o   74.831   0.8358  5500.80  104.526  5563.58  120.702  5312.54  209.023   75.703   0.8214   73.958   1.4559 1.744591 1.671638 
1 1 1  -10   30    7 o   99.124   1.2125  9549.11  233.197  9650.22  326.026  9443.20  333.689   99.663   1.6852   98.585   1.7437 1.078278 2.424939 
1 1 1  -10   30    8 o   19.893   2.3027  384.878   88.921  384.878   88.921   0.0000   0.0000   19.893   2.3027  ?   ?       ?      ? 
1 1 1  -10   30    9 o   93.697   3.4743  8809.21  296.243  8836.97  305.610  8377.14  1205.80   95.364   1.6509   92.030   6.7497 3.334755 6.948616 
1 1 1  -10   30   10 o   18.357   5.6798   59.953   84.869   55.387   85.302  506.160  843.227   9.1024   3.4730   27.611   10.816 -18.50866 11.35968 
1 1 1  -10   30   11 o  122.187   3.1962 15000.45  479.830 15112.89  510.654 14152.50  1402.30  124.651   2.1104  119.723   6.0339 4.928429 6.392330 
1 1 1  -10   30   12 o   95.602   3.6789  9433.90  328.353  9500.89  339.718  8482.60  1280.16   98.863   1.7702   92.341   7.1418 6.521667 7.357891 
1 1 1  -10   30   13 o   34.005   6.1491  1539.58  117.792  1553.78  118.324 -29.5119  1243.71   39.985   1.5244   28.024   12.203 11.96120 12.29819 
1 1 1  -10   30   14 f   58.650   1.4379  3342.80  163.703  3342.80  163.703   0.0000   0.0000   58.650   1.4379  ?   ?       ?      ? 
1 1 1  -10   30   15 o   86.855   1.1483  7341.48  193.226  7205.64  280.642  7463.92  266.436   86.085   1.6794   87.625   1.5664 -1.539459 2.296523 
1 1 1  -10   30   16 o   66.036   0.9297  4192.43  116.368  4441.27  188.267  4038.58  148.033   67.597   1.4348   64.474   1.1828 3.122604 1.859449 
1 1 1  -10   30   17 o   65.046   0.9692  4157.75  119.734  3875.94  186.375  4355.81  156.242   63.138   1.5207   66.954   1.2021 -3.816582 1.938448 
1 1 1  -10   30   18 o   46.151   0.8335  2082.27   71.617  2025.33  118.753  2114.82   89.781   45.643   1.3403   46.658   0.9913 -1.014683 1.667040 
1 1 1  -10   30   19 o   22.018   1.2820  471.259   54.792   0.0000   0.0000  471.259   54.792  ?   ?    22.018   1.2820      ?      ? 
1 1 1  -10   30   20 o   20.807   1.5283  421.297   61.727   0.0000   0.0000  421.297   61.727  ?   ?    20.807   1.5283      ?      ? 
1 1 1  -10   30   21 o   41.854   1.1344  1702.95   92.168   0.0000   0.0000  1702.95   92.168  ?   ?    41.854   1.1344      ?      ? 
1 1 1  -10   30   22 o   20.538   1.8719  411.637   74.629   0.0000   0.0000  411.637   74.629  ?   ?    20.538   1.8719      ?      ? 
1 1 1  -10   30   23 o   41.460   1.2126  1673.52   97.589   0.0000   0.0000  1673.52   97.589  ?   ?    41.460   1.2126      ?      ? 
1 1 1  -10   30   24 f   12.056   2.9820  149.942   69.399   0.0000   0.0000  149.942   69.399  ?   ?    12.056   2.9820      ?      ? 
1 1 1  -10   30   25 o   10.855   2.6929   88.311   60.459  163.251  130.146   67.688   68.273   12.892   4.3671   8.8179   3.1519 4.073656 5.385715 
1 1 1  -10   30   26 o   40.109   1.1527  1625.08   82.344  1461.71  145.519  1702.03   99.871   38.483   1.9480   41.735   1.2328 -3.252228 2.305305 
1 1 1  -10   30   27 o   26.017   1.5212  587.509   65.899  857.386  143.993  516.009   74.116   29.165   2.5434   22.868   1.6696 6.296541 3.042445 
1 1 1  -10   30   28 o   40.281   1.2119  1603.92   86.223  1612.13  159.146  1600.51  102.583   40.189   2.0399   40.373   1.3089 -0.1836395 2.423772 
1 1 1  -10   30   29 o   7.7269   2.4704 -18.3349   71.625 -133.7867  156.023   12.492   80.622   8.0012   3.7866   7.4526   3.1739 0.5486097 4.940827 
1 1 1  -10   30   30 o   21.581   2.2355  512.995   74.481  480.425  154.023  522.937   85.092   20.382   4.0358   22.781   1.9242 -2.399506 4.471006 
1 1 1  -10   31    1 o   12.353   1.9417  169.078   40.977  188.508   47.227  109.895   82.423   13.930   1.7465   10.776   3.4685 3.153745 3.883400 
1 1 1  -10   31    2 o   77.483   0.8448  5872.15  119.343  5955.72  146.155  5704.94  206.735   78.323   0.9613   76.644   1.3895 1.678543 1.689649 
1 1 1  -10   31    3 o   62.901   0.7699  3827.98   86.037  3807.90  102.594  3875.55  157.950   62.629   0.8439   63.174   1.2880 -0.5444870 1.539834 
1 1 1  -10   31    4 o   72.781   0.8075  5206.35  107.247  5334.19  131.825  4956.10  184.434   74.124   0.9162   71.438   1.3300 2.686127 1.615005 
1 1 1  -10   31    5 o   69.884   0.8046  4722.85  100.125  4693.83  119.571  4790.94  183.163   69.532   0.8859   70.236   1.3434 -0.7031631 1.609224 
1 1 1  -10   31    6 o  140.629   1.3094 19208.02  321.116 19193.36  378.487 19245.70  606.655  140.573   1.3870  140.686   2.2214 -0.1125641 2.618866 
1 1 1  -10   31    7 o  126.606   1.4610 15582.41  359.007 15475.33  502.874 15693.72  512.693  126.164   2.0533  127.049   2.0788 -0.8844452 2.921941 
1 1 1  -10   31    8 o  127.185   3.1185 16798.98  510.665 17154.26  549.493 14548.20  1383.06  132.817   2.1313  121.552   5.8615 11.26433 6.236993 
1 1 1  -10   31    9 o   47.143   1.3492  2158.84  123.470  2158.84  123.470   0.0000   0.0000   47.143   1.3492  ?   ?       ?      ? 
1 1 1  -10   31   10 o   33.752   5.8359  1124.98   91.338  1125.48   91.794  1075.48  917.700   34.037   1.3893   33.466   11.589 0.5711899 11.67179 
1 1 1  -10   31   11 o   43.702   5.8251  1832.22  115.788  1828.93  116.570  2075.24  1001.33   43.389   1.3840   44.016   11.568 -0.6273804 11.65024 
1 1 1  -10   31   12 o   63.432   4.7021  3968.83  175.668  3967.53  177.807  4022.04  1135.97   63.901   1.4334   62.964   9.2942 0.9375763 9.404122 
1 1 1  -10   31   13 o  129.884   2.3003 16426.11  579.965 16426.11  579.965   0.0000   0.0000  129.884   2.3003  ?   ?       ?      ? 
1 1 1  -10   31   14 o  101.834   1.8648 10086.95  368.623 10086.95  368.623   0.0000   0.0000  101.834   1.8648  ?   ?       ?      ? 
1 1 1  -10   31   15 o  130.153   1.6500 16504.08  416.752 16959.70  589.408 16048.56  589.344  131.956   2.3010  128.349   2.3654 3.606308 3.299997 
1 1 1  -10   31   16 o   67.626   0.9803  4490.83  126.343  4181.06  194.481  4717.02  166.189   65.578   1.5278   69.675   1.2287 -4.097252 1.960572 
1 1 1  -10   31   17 o   65.585   0.9456  4135.25  117.196  4376.16  191.155  3990.15  148.348   67.089   1.4678   64.080   1.1926 3.008110 1.891232 
1 1 1  -10   31   18 o   62.476   0.9520  3809.01  112.127  3734.75  180.766  3855.46  142.950   61.966   1.5028   62.986   1.1692 -1.019585 1.904026 
1 1 1  -10   31   19 o   45.694   1.0314  2028.83   91.482   0.0000   0.0000  2028.83   91.482  ?   ?    45.694   1.0314      ?      ? 
1 1 1  -10   31   20 o   58.865   1.1628  3368.32  132.867   0.0000   0.0000  3368.32  132.867  ?   ?    58.865   1.1628      ?      ? 
1 1 1  -10   31   21 o   74.926   1.3976  5462.87  203.267   0.0000   0.0000  5462.87  203.267  ?   ?    74.926   1.3976      ?      ? 
1 1 1  -10   31   22 o   37.252   1.1770  1350.21   85.116   0.0000   0.0000  1350.21   85.116  ?   ?    37.252   1.1770      ?      ? 
1 1 1  -10   31   23 o   36.137   1.2608  1271.97   88.439   0.0000   0.0000  1271.97   88.439  ?   ?    36.137   1.2608      ?      ? 
1 1 1  -10   31   24 o   27.602   1.4901  744.184   79.840   0.0000   0.0000  744.184   79.840  ?   ?    27.602   1.4901      ?      ? 
1 1 1  -10   31   25 o   45.749   0.9716  2035.32   82.546  2078.43  139.292  2011.99  102.479   46.078   1.5573   45.421   1.1623 0.6566277 1.943212 
1 1 1  -10   31   26 o   34.905   1.2620  1107.55   74.682  1399.13  154.929  1019.28   85.239   37.551   2.1255   32.259   1.3612 5.291557 2.523970 
1 1 1  -10   31   27 o   8.2399   2.3798   26.701   64.717 -182.6808  142.406   81.199   72.653   7.2163   3.4699   9.2636   3.2577 -2.047329 4.759517 
1 1 1  -10   31   28 o   15.419   2.5429  219.406   67.986  376.500  136.275  167.351   78.445   18.403   3.9340   12.435   3.2232 5.967443 5.085754 
1 1 1  -10   31   29 o   17.881   2.5115  323.353   70.226  402.723  157.578  303.683   78.448   18.493   4.4446   17.269   2.3401 1.223831 5.023026 
1 1 1  -10   31   30 o   15.725   2.5977  312.529   73.876  201.784  145.793  350.787   85.691   13.013   4.6107   18.437   2.3943 -5.424030 5.195350 
1 1 1  -10   32    1 o  136.646   1.1954 18175.29  301.857 18251.30  373.948 18033.13  511.401  137.079   1.4053  136.213   1.9341 0.8660278 2.390740 
1 1 1  -10   32    2 o  101.032   0.9940  9890.43  182.921  9845.44  222.749  9983.60  320.551  100.692   1.1396  101.371   1.6290 -0.6788635 1.988037 
1 1 1  -10   32    3 o   40.308   0.8101  1585.00   53.661  1591.44   61.372  1564.09  110.575   40.488   0.7809   40.128   1.4195 0.3598709 1.620117 
1 1 1  -10   32    4 o  109.434   1.0521 11593.35  210.536 11514.90  257.209 11752.62  366.500  108.890   1.2168  109.978   1.7167 -1.087303 2.104252 
1 1 1  -10   32    5 o   59.684   0.7198  3490.60   68.106  3514.26   76.827  3403.79  147.167   60.167   0.6578   59.200   1.2806 0.9674263 1.439687 
1 1 1  -10   32    6 o   19.261   1.1295  340.152   17.905  338.133   18.317  383.499   84.871   18.664   0.5056   19.858   2.2017 -1.193773 2.259042 
1 1 1  -10   32    7 o   47.895   0.9226  2219.34   85.610  2399.34  125.589  2063.09  117.007   49.702   1.3017   46.088   1.3079 3.614147 1.845253 
1 1 1  -10   32    8 o   41.602   5.6925  1973.30  105.922  1979.80  106.667  1512.64  897.926   45.149   1.2171   38.055   11.320 7.094631 11.38493 
1 1 1  -10   32    9 o   58.320   4.5172  3424.61  152.551  3427.64  154.385  3299.72  992.715   59.401   1.3389   57.238   8.9346 2.163013 9.034315 
1 1 1  -10   32   10 o  113.170   1.9134 12453.16  420.344 12453.16  420.344   0.0000   0.0000  113.170   1.9134  ?   ?       ?      ? 
1 1 1  -10   32   11 o   56.763   5.6053  3410.43  148.431  3415.35  149.721  3128.90  1132.94   59.294   1.3008   54.232   11.135 5.062523 11.21052 
1 1 1  -10   32   12 o   35.856   1.3015  1249.10   90.588  1249.10   90.588   0.0000   0.0000   35.856   1.3015  ?   ?       ?      ? 
1 1 1  -10   32   13 o   32.390   1.4024  1019.48   88.176  1019.48   88.176   0.0000   0.0000   32.390   1.4024  ?   ?       ?      ? 
1 1 1  -10   32   14 o   54.769   1.3226  2914.71  140.619  2914.71  140.619   0.0000   0.0000   54.769   1.3226  ?   ?       ?      ? 
1 1 1  -10   32   15 o   21.078   1.3506  386.187   24.457  486.652  113.677  381.311   25.044   22.338   2.6216   19.818   0.6510 2.520191 2.701188 
1 1 1  -10   32   16 o   60.734   0.9241  3558.64  104.135  3673.30  176.586  3497.50  128.943   61.467   1.4799   60.001   1.1071 1.466640 1.848200 
1 1 1  -10   32   17 o   78.551   1.0562  6014.02  160.138  5869.94  237.922  6133.35  216.525   77.680   1.5778   79.422   1.4044 -1.742340 2.112333 
1 1 1  -10   32   18 o   51.354   0.9144  2590.30   85.351  2486.96  148.236  2641.55  104.391   50.565   1.5102   52.143   1.0313 -1.577549 1.828763 
1 1 1  -10   32   19 o   23.458   1.2537  535.019   57.085   0.0000   0.0000  535.019   57.085  ?   ?    23.458   1.2537      ?      ? 
1 1 1  -10   32   20 o   59.080   1.1717  3393.42  134.381   0.0000   0.0000  3393.42  134.381  ?   ?    59.080   1.1717      ?      ? 
1 1 1  -10   32   21 o  106.964   1.8886 11162.47  392.130   0.0000   0.0000 11162.47  392.130  ?   ?   106.964   1.8886      ?      ? 
1 1 1  -10   32   22 o   26.084   1.4405  663.087   72.938   0.0000   0.0000  663.087   72.938  ?   ?    26.084   1.4405      ?      ? 
1 1 1  -10   32   23 f   54.843   1.2201  2929.97  129.889   0.0000   0.0000  2929.97  129.889  ?   ?    54.843   1.2201      ?      ? 
1 1 1  -10   32   24 o   8.9129   3.1398   70.758   67.514   0.0000   0.0000   70.758   67.514  ?   ?    8.9129   3.1398      ?      ? 
1 1 1  -10   32   25 o   37.213   1.0977  1361.37   71.975  1346.11  133.044  1367.68   85.579   36.991   1.8528   37.436   1.1776 -0.4447937 2.195398 
1 1 1  -10   32   26 o   47.955   1.1106  2291.28   93.362  2191.10  172.417  2332.84  111.053   47.065   1.8872   48.846   1.1712 -1.781456 2.221103 
1 1 1  -10   32   27 o   23.405   1.8087  555.441   69.620  549.204  142.196  557.407   79.845   23.068   3.1755   23.742   1.7325 -0.6738396 3.617383 
1 1 1  -10   32   28 f   23.633   1.7243  497.041   66.670  709.182  148.734  443.697   74.583   26.160   2.9289   21.107   1.8203 5.053307 3.448504 
1 1 1  -10   32   29 o   16.914   2.5308  390.859   72.485  170.950  150.628  457.130   82.689   12.523   4.6500   21.304   1.9995 -8.780272 5.061679 
1 1 1  -10   32   30 o   14.094   2.8590  233.698   75.541  239.253  153.864  231.934   86.710   13.796   4.7471   14.392   3.1877 -0.5965004 5.718023 
1 1 1  -10   33    1 o   67.483   0.8191  4364.97   98.247  4282.24  116.815  4564.94  181.617   66.412   0.9061   68.554   1.3648 -2.142334 1.638186 
1 1 1  -10   33    2 o  123.353   1.1104 14780.57  252.030 14774.38  310.369 14792.57  431.847  123.335   1.2964  123.371   1.8032 -0.3607941E-01 2.220852 
1 1 1  -10   33    3 o   80.894   0.8724  6398.59  128.205  6480.15  156.419  6231.67  223.782   81.693   0.9864   80.094   1.4393 1.599785 1.744879 
1 1 1  -10   33    4 o   25.287   1.0309  650.255   39.408  668.858   44.023  575.234   88.405   26.247   0.8640   24.327   1.8721 1.920290 2.061874 
1 1 1  -10   33    5 o  142.566   1.1798 19797.68  293.261 19858.27  345.945 19642.95  552.842  142.991   1.2463  142.140   2.0036 0.8516235 2.359643 
1 1 1  -10   33    6 o   61.437   4.2029  4277.76  107.574  4293.16  108.325  3178.00  915.306   66.497   0.8392   56.376   8.3638 10.12098 8.405781 
1 1 1  -10   33    7 o  169.775   1.7859 28045.50  588.044 27812.20  813.038 28301.42  851.535  169.044   2.4777  170.506   2.5728 -1.461899 3.571828 
1 1 1  -10   33    8 o   72.095   4.2959  6092.66  223.000  6182.10  228.119  4166.84  1058.56   79.767   1.4732   64.424   8.4646 15.34347 8.591807 
1 1 1  -10   33    9 o   28.296   5.5091  895.102   94.423  902.270   94.924  221.120  920.454   30.470   1.6048   26.121   10.901 4.349188 11.01816 
1 1 1  -10   33   10 o  108.047   3.5865 12231.17  402.915 12382.08  421.126 10598.70  1385.11  112.842   1.9225  103.252   6.9106 9.589813 7.173085 
1 1 1  -10   33   11 o   50.482   1.3705  2476.18  134.299  2476.18  134.299   0.0000   0.0000   50.482   1.3705  ?   ?       ?      ? 
1 1 1  -10   33   12 o   54.324   1.3583  2867.50  143.233  2867.50  143.233   0.0000   0.0000   54.324   1.3583  ?   ?       ?      ? 
1 1 1  -10   33   13 o  123.950   2.2125 14958.27  532.347 14958.27  532.347   0.0000   0.0000  123.950   2.2125  ?   ?       ?      ? 
1 1 1  -10   33   14 o  120.127   2.1604 14050.54  503.770 14050.54  503.770   0.0000   0.0000  120.127   2.1604  ?   ?       ?      ? 
1 1 1  -10   33   15 o   55.899   1.4304  3037.38  155.216  3037.38  155.216   0.0000   0.0000   55.899   1.4304  ?   ?       ?      ? 
1 1 1  -10   33   16 o   50.160   0.8421  2383.88   75.385  2599.33  139.673  2295.32   89.548   51.709   1.3915   48.612   0.9490 3.096958 1.684278 
1 1 1  -10   33   17 o   48.077   0.9290  2271.46   76.996  2193.67  146.783  2301.00   90.437   47.485   1.5924   48.669   0.9573 -1.184437 1.857983 
1 1 1  -10   33   18 o   93.588   1.2108  8534.70  219.500  8417.97  319.753  8638.72  301.858   92.972   1.7717   94.204   1.6507 -1.232071 2.421526 
1 1 1  -10   33   19 o   81.229   1.0824  6433.12  170.337  6046.48  242.996  6806.65  238.842   78.817   1.5882   83.642   1.4710 -4.824615 2.164819 
1 1 1  -10   33   20 o   19.296   1.6044  362.603   60.097   0.0000   0.0000  362.603   60.097  ?   ?    19.296   1.6044      ?      ? 
1 1 1  -10   33   21 o   19.604   1.7184  374.859   65.393   0.0000   0.0000  374.859   65.393  ?   ?    19.604   1.7184      ?      ? 
1 1 1  -10   33   22 o   99.034   1.7705  9583.53  340.359   0.0000   0.0000  9583.53  340.359  ?   ?    99.034   1.7705      ?      ? 
1 1 1  -10   33   23 o   36.810   0.8896  1312.88   63.366  1459.20   93.630  1189.23   86.072   38.692   1.2466   34.927   1.2695 3.764954 1.779211 
1 1 1  -10   33   24 o   45.413   0.8636  1997.53   75.175  2098.42  117.102  1926.80   98.046   46.367   1.3010   44.460   1.1360 1.906979 1.727220 
1 1 1  -10   33   25 o   7.9534   2.2833   31.500   53.819   23.575   88.606   36.133   67.748   8.1857   3.3962   7.7211   3.0527 0.4646225 4.566525 
1 1 1  -10   33   26 o   33.038   1.3089  1017.45   70.678  1202.22  152.598  966.990   79.747   34.670   2.2674   31.405   1.3081 3.264784 2.617699 
1 1 1  -10   33   27 o   36.975   0.8719  1340.04   62.537  1272.29   87.621  1410.39   89.284   36.016   1.2533   37.933   1.2125 -1.916935 1.743822 
1 1 1  -10   33   28 o   20.787   1.3553  427.892   54.406  485.007   81.839  382.661   72.829   22.017   1.9148   19.556   1.9185 2.461683 2.710571 
1 1 1  -10   33   29 o   22.029   1.4274  489.600   60.845  438.860   84.452  544.364   87.737   20.812   2.0904   23.245   1.9444 -2.433033 2.854865 
1 1 1  -10   33   30 o   17.651   2.6207  327.785   89.792   0.0000   0.0000  327.785   89.792  ?   ?    17.651   2.6207      ?      ? 
1 1 1  -10   34    1 o   86.914   0.9284  7370.69  146.759  7433.83  179.067  7241.50  256.137   87.495   1.0543   86.333   1.5284 1.162086 1.856738 
1 1 1  -10   34    2 o  134.923   1.1983 17765.38  298.370 17934.83  369.579 17448.22  505.620  135.878   1.4012  133.969   1.9443 1.908356 2.396553 
1 1 1  -10   34    3 o   72.922   0.8495  5098.49  109.705  5006.31  130.112  5325.19  204.040   71.806   0.9335   74.039   1.4197 -2.233276 1.699064 
1 1 1  -10   34    4 o   72.287   0.8370  5058.82  108.586  5033.12  130.507  5116.64  195.746   71.998   0.9338   72.576   1.3894 -0.5780258 1.674064 
1 1 1  -10   34    5 o  149.520   1.2423 21985.05  334.300 22430.53  405.379 21038.11  591.026  151.956   1.3743  147.084   2.0700 4.871506 2.484689 
1 1 1  -10   34    6 o   7.4276   1.6357   59.892   19.614   66.416   20.123 -64.2315   87.773   8.2691   1.2536   6.5862   3.0217 1.682902 3.271378 
1 1 1  -10   34    7 o   74.181   3.9776  5974.53  222.280  6027.02  227.375  4842.47  1055.89   78.759   1.4872   69.604   7.8149 9.155174 7.955110 
1 1 1  -10   34    8 o   40.200   5.8145  1649.18  109.786  1649.53  110.546  1623.56  937.911   41.206   1.3820   39.194   11.547 2.012249 11.62894 
1 1 1  -10   34    9 o  157.414   3.0393 24175.35  690.692 24123.87  756.193 24434.47  1696.58  157.406   2.4748  157.422   5.5519 -0.1583862E-01 6.078541 
1 1 1  -10   34   10 o   74.569   4.1333  5287.75  209.148  5273.27  212.447  5743.10  1191.43   73.662   1.4857   75.476   8.1320 -1.813896 8.266595 
1 1 1  -10   34   11 o   79.898   1.5555  6205.15  241.259  6205.15  241.259   0.0000   0.0000   79.898   1.5555  ?   ?       ?      ? 
1 1 1  -10   34   12 o   10.395   3.8303   83.521  101.833   83.521  101.833   0.0000   0.0000   10.395   3.8303  ?   ?       ?      ? 
1 1 1  -10   34   13 o   84.737   1.6406  6981.64  269.864  6981.64  269.864   0.0000   0.0000   84.737   1.6406  ?   ?       ?      ? 
1 1 1  -10   34   14 o   16.648   3.2217  280.088  100.348  280.088  100.348   0.0000   0.0000   16.648   3.2217  ?   ?       ?      ? 
1 1 1  -10   34   15 o   37.584   1.4660  1373.32  106.952  1373.32  106.952   0.0000   0.0000   37.584   1.4660  ?   ?       ?      ? 
1 1 1  -10   34   16 o   33.095   1.0433  1049.42   45.016  1086.67  126.064  1043.97   48.194   33.402   1.9443   32.788   0.7572 0.6143761 2.086504 
1 1 1  -10   34   17 o   71.922   0.9797  5003.52  135.209  5198.33  209.276  4863.94  177.145   73.108   1.4746   70.735   1.2901 2.373367 1.959336 
1 1 1  -10   34   18 o   43.697   0.9779  1837.67   69.350  1893.04  147.000  1821.81   78.653   44.090   1.7176   43.303   0.9357 0.7868271 1.955893 
1 1 1  -10   34   19 o   64.877   0.9899  4128.25  121.445  3941.55  192.762  4251.13  156.385   63.632   1.5606   66.122   1.2184 -2.489586 1.979848 
1 1 1  -10   34   20 o   89.139   1.5947  7740.07  275.944   0.0000   0.0000  7740.07  275.944  ?   ?    89.139   1.5947      ?      ? 
1 1 1  -10   34   21 o   25.119   1.3899  614.673   67.771   0.0000   0.0000  614.673   67.771  ?   ?    25.119   1.3899      ?      ? 
1 1 1  -10   34   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   34   23 o   16.096   1.7067  269.758   49.159  170.811   69.968  366.217   69.083   12.865   2.8741   19.327   1.8414 -6.461580 3.413398 
1 1 1  -10   34   24 o   24.133   1.1492  577.560   52.900  527.963   80.638  615.031   70.090   23.188   1.7915   25.078   1.4398 -1.890446 2.298344 
1 1 1  -10   34   25 o   14.874   1.9827  225.090   54.870  235.725   87.577  218.218   70.402   14.976   3.1141   14.773   2.4550 0.2025547 3.965443 
1 1 1  -10   34   26 o   13.398   1.9880  192.848   51.743  104.386   73.746  278.625   72.618   10.112   3.2834   16.683   2.2423 -6.571754 3.976037 
1 1 1  -10   34   27 o   23.935   1.2099  561.412   55.862  653.644   83.963  488.163   74.826   25.686   1.6839   22.183   1.7376 3.502909 2.419712 
1 1 1  -10   34   28 o   9.7203   2.2052   76.995   54.452  177.137   81.230  -4.7308   73.381   12.684   3.2761   6.7568   2.9527 5.926853 4.410347 
1 1 1  -10   34   29 o   12.755   2.2788  180.690   56.660  154.321   77.874  210.350   82.592   11.742   3.2867   13.769   3.1574 -2.027388 4.557588 
1 1 1  -10   35    1 o  130.679   1.2586 16436.09  286.810 16231.84  337.093 16971.64  545.850  129.265   1.3434  132.093   2.1288 -2.828094 2.517208 
1 1 1  -10   35    2 o  120.246   1.1256 14133.80  248.283 14309.48  305.803 13794.01  425.292  121.373   1.2979  119.119   1.8392 2.253716 2.251105 
1 1 1  -10   35    3 o   82.674   0.9977  6637.77  159.748  6605.16  218.304  6675.37  234.387   82.458   1.3638   82.890   1.4567 -0.4319687 1.995499 
1 1 1  -10   35    4 o   30.647   0.8896  935.786   33.145  942.617   35.205  882.475   98.347   31.161   0.5820   30.133   1.6813 1.028526 1.779229 
1 1 1  -10   35    5 o   79.187   0.8560  6174.03  110.711  6247.00  126.539  5935.84  228.609   80.214   0.8127   78.160   1.5068 2.054024 1.711950 
1 1 1  -10   35    6 o  121.827   1.1782 14486.26  244.953 14554.46  285.444 14295.72  477.114  122.413   1.2012  121.241   2.0273 1.172066 2.356424 
1 1 1  -10   35    7 o   36.560   5.7293  1460.54   39.650  1461.10   39.689  1177.06  894.037   38.796   0.5270   34.323   11.446 4.473633 11.45860 
1 1 1  -10   35    8 o   59.018   5.2723  4026.00  171.598  4053.88  173.957  3019.02  1045.55   64.594   1.3873   53.442   10.453 11.15233 10.54464 
1 1 1  -10   35    9 o   28.472   5.7733  760.358   96.255  762.239   96.760  581.579  943.411   27.998   1.7804   28.946   11.409 -0.9486275 11.54667 
1 1 1  -10   35   10 o   98.294   1.7768  9395.55  339.029  9395.55  339.029   0.0000   0.0000   98.294   1.7768  ?   ?       ?      ? 
1 1 1  -10   35   11 f   55.965   1.3021  3043.16  141.457  3043.16  141.457   0.0000   0.0000   55.965   1.3021  ?   ?       ?      ? 
1 1 1  -10   35   12 o  135.120   2.3726 17786.30  622.310 17786.30  622.310   0.0000   0.0000  135.120   2.3726  ?   ?       ?      ? 
1 1 1  -10   35   13 o  109.004   1.9474 11563.33  412.070 11563.33  412.070   0.0000   0.0000  109.004   1.9474  ?   ?       ?      ? 
1 1 1  -10   35   14 o   43.026   1.4481  1799.68  120.949  1799.68  120.949   0.0000   0.0000   43.026   1.4481  ?   ?       ?      ? 
1 1 1  -10   35   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   35   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   35   17 o   31.710   1.1233  957.817   48.006  1007.94  129.751  949.867   51.673   32.149   2.0791   31.271   0.8512 0.8780613 2.246632 
1 1 1  -10   35   18 f   87.464   1.1380  7455.61  192.953  7213.81  277.104  7683.21  268.837   86.078   1.6584   88.850   1.5587 -2.772415 2.275919 
1 1 1  -10   35   19 o   70.073   1.0234  4791.41  136.377  4714.33  214.797  4843.47  176.520   69.580   1.5903   70.566   1.2887 -0.9861603 2.046875 
1 1 1  -10   35   20 o   78.413   1.4285  5987.73  217.436   0.0000   0.0000  5987.73  217.436  ?   ?    78.413   1.4285      ?      ? 
1 1 1  -10   35   21 o   20.859   1.1060  423.651   44.581  432.856   66.573  416.167   60.028   21.059   1.6285   20.658   1.4969 0.4010353 2.211988 
1 1 1  -10   35   22 o   22.685   1.1696  497.682   50.649  531.784   80.280  475.133   65.281   23.312   1.7741   22.059   1.5246 1.253174 2.339133 
1 1 1  -10   35   23 o   12.437   1.9787  166.878   47.435  107.110   74.946  206.822   61.269   10.387   3.3037   14.488   2.1786 -4.100392 3.957335 
1 1 1  -10   35   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   35   25 f   30.659   1.1333  948.937   64.976  823.337  102.783  1032.55   83.859   28.859   1.8347   32.458   1.3309 -3.599562 2.266648 
1 1 1  -10   35   26 o   21.437   1.4035  462.940   57.605  397.514   84.190  520.535   78.991   19.942   2.1749   22.931   1.7745 -2.989546 2.806940 
1 1 1  -10   35   27 o   11.390   2.2374  142.337   53.569   88.679   79.598  186.759   72.424   9.5691   3.4051   13.211   2.9033 -3.642331 4.474780 
1 1 1  -10   35   28 o   16.822   1.7214  288.287   56.033  320.884   82.635  260.543   76.238   17.708   2.4039   15.936   2.4645 1.772550 3.442736 
1 1 1  -10   35   29 o   5.9210   1.9778 -83.3596   60.699 -131.3497   90.746 -44.5042   81.654   5.5547   2.6949   6.2874   2.8956 -0.7326913 3.955602 
1 1 1  -10   36    1 o  142.093   1.2465 19733.82  326.991 19980.61  405.511 19275.03  552.893  143.404   1.4567  140.781   2.0232 2.622665 2.493035 
1 1 1  -10   36    2 f   70.821   0.8502  4950.43  108.204  5087.77  131.309  4659.87  190.996   72.386   0.9345   69.256   1.4207 3.130211 1.700495 
1 1 1  -10   36    3 o   83.748   0.9233  6779.06  138.553  6725.44  166.200  6901.25  250.872   83.220   1.0288   84.275   1.5335 -1.054115 1.846660 
1 1 1  -10   36    4 o   11.194   1.7587  188.268   27.715  207.662   29.012 -14.2043   93.742   14.623   1.0220   7.7645   3.3657 6.858973 3.517431 
1 1 1  -10   36    5 f   80.681   0.8388  6403.62  112.126  6480.21  128.971  6166.50  226.916   81.697   0.8132   79.665   1.4673 2.031639 1.677634 
1 1 1  -10   36    6 o   8.4785   2.0188   54.333   22.009   53.918   22.604   61.891   96.528   7.3045   1.6349   9.6526   3.6917 -2.348077 4.037531 
1 1 1  -10   36    7 o   63.906   5.6833  4253.58   92.708  4254.60   92.942  4051.95  1306.73   66.198   0.7233   61.613   11.344 4.585484 11.36668 
1 1 1  -10   36    8 o   70.817   1.4561  4873.82  200.162  4873.82  200.162   0.0000   0.0000   70.817   1.4561  ?   ?       ?      ? 
1 1 1  -10   36    9 o   72.241   1.4736  5071.95  206.650  5071.95  206.650   0.0000   0.0000   72.241   1.4736  ?   ?       ?      ? 
1 1 1  -10   36   10 o   80.285   1.5584  6265.65  242.878  6265.65  242.878   0.0000   0.0000   80.285   1.5584  ?   ?       ?      ? 
1 1 1  -10   36   11 o   50.961   1.3335  2523.54  131.915  2523.54  131.915   0.0000   0.0000   50.961   1.3335  ?   ?       ?      ? 
1 1 1  -10   36   12 o  105.967   1.9180 10926.86  394.530 10926.86  394.530   0.0000   0.0000  105.967   1.9180  ?   ?       ?      ? 
1 1 1  -10   36   13 o   51.527   1.4133  2580.79  141.366  2580.79  141.366   0.0000   0.0000   51.527   1.4133  ?   ?       ?      ? 
1 1 1  -10   36   14 o   44.289   1.5017  1907.42  129.108  1907.42  129.108   0.0000   0.0000   44.289   1.5017  ?   ?       ?      ? 
1 1 1  -10   36   15 f   64.078   1.4284  3992.82  177.669  3992.82  177.669   0.0000   0.0000   64.078   1.4284  ?   ?       ?      ? 
1 1 1  -10   36   16 o   31.112   0.7254  939.965   43.812   0.0000   0.0000  939.965   43.812  ?   ?    31.112   0.7254      ?      ? 
1 1 1  -10   36   17 o   36.342   0.9381  1232.81   51.624  1368.14  122.318  1203.48   56.944   37.485   1.6810   35.199   0.8334 2.286240 1.876235 
1 1 1  -10   36   18 o   46.331   0.9573  2070.43   74.612  2123.67  149.947  2052.91   86.016   46.698   1.6541   45.964   0.9640 0.7339554 1.914560 
1 1 1  -10   36   19 o   38.409   0.9739  1454.86   63.224  1396.81  124.068  1475.22   73.481   37.859   1.6882   38.960   0.9716 -1.101051 1.947845 
1 1 1  -10   36   20 o   13.937   1.5368  196.559   38.935  129.192   53.953  269.766   56.244   11.251   2.5316   16.624   1.7430 -5.372877 3.073605 
1 1 1  -10   36   21 o   21.185   1.1023  426.883   44.678  507.336   70.896  373.883   57.543   22.795   1.6022   19.575   1.5143 3.220297 2.204579 
1 1 1  -10   36   22 o   62.798   0.9073  3834.59  110.155  3967.89  164.427  3726.04  148.372   63.775   1.3282   61.822   1.2364 1.953068 1.814562 
1 1 1  -10   36   23 o   31.430   0.9692  968.817   57.246  949.873   92.984  980.381   72.647   31.155   1.5375   31.705   1.1804 -0.5497952 1.938365 
1 1 1  -10   36   24 o   39.555   0.8959  1538.23   67.479  1487.27  105.325  1573.70   87.885   38.966   1.3925   40.145   1.1278 -1.179478 1.791874 
1 1 1  -10   36   25 o   22.485   1.3799  493.704   58.281  535.242   96.919  470.175   72.943   23.157   2.1560   21.813   1.7227 1.344225 2.759708 
1 1 1  -10   36   26 o   23.660   1.2591  554.717   57.797  581.695   82.881  529.179   80.639   24.225   1.7625   23.095   1.7987 1.129364 2.518270 
1 1 1  -10   36   27 o   8.1167   2.2726   38.454   55.854  -9.4151   81.862   80.149   76.400   7.0342   3.0951   9.1992   3.3286 -2.165023 4.545186 
1 1 1  -10   36   28 o   23.753   1.2604  562.967   57.937  591.229   86.099  539.580   78.322   24.278   1.8270   23.229   1.7369 1.048433 2.520860 
1 1 1  -10   36   29 f   20.846   1.6198  443.578   65.163  504.752   98.589  396.120   86.836   22.103   2.2978   19.588   2.2837 2.515219 3.239638 
1 1 1  -10   37    1 o   51.897   0.8223  2674.91   73.450  2747.46   86.512  2487.57  139.014   53.195   0.8378   50.599   1.4153 2.595821 1.644698 
1 1 1  -10   37    2 o   57.918   0.8240  3287.68   81.774  3321.68   95.638  3195.25  157.692   58.490   0.8423   57.346   1.4166 1.143440 1.648088 
1 1 1  -10   37    3 o   27.125   1.0459  742.719   47.122  770.906   54.655  661.082   93.014   28.175   0.9993   26.075   1.8376 2.100515 2.091784 
1 1 1  -10   37    4 o   67.002   0.7879  4307.25   82.826  4270.97   92.738  4450.30  184.128   66.326   0.7203   67.677   1.4016 -1.351257 1.575818 
1 1 1  -10   37    5 o   12.285   1.9765  154.581   25.754  155.964   26.669  135.465   99.147   12.672   1.0842   11.898   3.8015 0.7742805 3.953059 
1 1 1  -10   37    6 o   5.2772   1.6602   5.0756   22.747   13.590   23.603 -106.0742   85.277   4.7019   1.8184   5.8525   2.7783 -1.150671 3.320459 
1 1 1  -10   37    7 o   53.615   0.6264  2790.73   65.193  2790.73   65.193   0.0000   0.0000   53.615   0.6264  ?   ?       ?      ? 
1 1 1  -10   37    8 f  133.385   2.3399 17326.48  605.866 17326.48  605.866   0.0000   0.0000  133.385   2.3399  ?   ?       ?      ? 
1 1 1  -10   37    9 o   51.082   1.3687  2535.61  135.720  2535.61  135.720   0.0000   0.0000   51.082   1.3687  ?   ?       ?      ? 
1 1 1  -10   37   10 o   48.352   1.4262  2272.19  133.863  2272.19  133.863   0.0000   0.0000   48.352   1.4262  ?   ?       ?      ? 
1 1 1  -10   37   11 o   49.765   1.4390  2407.25  139.014  2407.25  139.014   0.0000   0.0000   49.765   1.4390  ?   ?       ?      ? 
1 1 1  -10   37   12 o  166.936   2.9115 27219.19  943.485 27219.19  943.485   0.0000   0.0000  166.936   2.9115  ?   ?       ?      ? 
1 1 1  -10   37   13 o   63.521   1.4404  3922.85  177.616  3922.85  177.616   0.0000   0.0000   63.521   1.4404  ?   ?       ?      ? 
1 1 1  -10   37   14 o   49.505   1.3503  2382.70  129.764  2382.70  129.764   0.0000   0.0000   49.505   1.3503  ?   ?       ?      ? 
1 1 1  -10   37   15 o   27.235   2.0677  722.836  109.316  722.836  109.316   0.0000   0.0000   27.235   2.0677  ?   ?       ?      ? 
1 1 1  -10   37   16 o   7.4397   2.0591   36.657   23.145   0.3298  108.953   38.374   23.686   8.6502   3.6869   6.2291   1.8349 2.421164 4.118271 
1 1 1  -10   37   17 o   36.494   0.8278  1293.64   58.641   0.0000   0.0000  1293.64   58.641  ?   ?    36.494   0.8278      ?      ? 
1 1 1  -10   37   18 o   11.068   2.2853  108.580   40.113  136.551  107.889  104.094   43.211   12.010   3.9749   10.125   2.2562 1.884370 4.570607 
1 1 1  -10   37   19 o   80.288   0.9139  6316.19  138.512  6463.24  177.521  6087.34  221.454   81.518   1.1218   79.058   1.4430 2.459984 1.827793 
1 1 1  -10   37   20 o   67.732   0.8125  4457.87  104.159  4432.56  133.083  4497.89  167.336   67.505   1.0156   67.960   1.2685 -0.4543304 1.624931 
1 1 1  -10   37   21 o   36.053   0.8259  1262.72   56.838  1283.89   89.199  1248.24   73.748   36.296   1.2660   35.810   1.0609 0.4855728 1.651771 
1 1 1  -10   37   22 o   7.6679   2.1195   37.126   45.393   29.059   70.828   42.749   59.134   7.6856   3.0936   7.6503   2.8982 0.3530407E-01 4.239068 
1 1 1  -10   37   23 o   25.133   1.0925  621.894   51.879  605.400   82.926  632.501   66.501   24.830   1.7205   25.437   1.3468 -0.6066742 2.184905 
1 1 1  -10   37   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   37   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   37   26 o   42.843   1.0018  1824.60   81.152  1731.91  128.492  1886.11  104.670   41.851   1.5816   43.834   1.2301 -1.983143 2.003662 
1 1 1  -10   37   27 o   6.4343   2.0888 -48.4393   59.793 -71.6158   87.365 -28.0171   82.009   6.2016   2.9029   6.6670   3.0041 -0.4653816 4.177502 
1 1 1  -10   37   28 o   12.611   2.3238  177.307   58.383  223.540   84.570  135.212   80.697   14.204   3.1498   11.019   3.4174 3.185084 4.647608 
1 1 1  -10   38    1 o   94.594   0.9994  8710.05  171.320  8736.68  208.045  8653.94  301.961   94.839   1.1301   94.348   1.6487 0.4910660 1.998847 
1 1 1  -10   38    2 o   32.957   0.8296  1057.94   47.367  1061.39   55.657  1048.87   90.211   33.061   0.8672   32.853   1.4145 0.2079544 1.659205 
1 1 1  -10   38    3 f   64.861   0.8452  4096.60   96.009  4109.77  113.592  4063.68  179.646   65.056   0.8995   64.666   1.4311 0.3900146 1.690334 
1 1 1  -10   38    4 o   46.550   0.7473  2111.96   51.425  2115.99   56.680  2093.17  122.294   46.686   0.6254   46.413   1.3574 0.2728882 1.494530 
1 1 1  -10   38    5 o   61.785   0.7724  3691.16   74.801  3679.69   83.832  3735.93  165.674   61.563   0.7015   62.006   1.3764 -0.4422035 1.544885 
1 1 1  -10   38    6 o   42.269   0.8066  1711.37   43.946  1703.33   46.958  1768.03  124.715   41.888   0.5775   42.651   1.5064 -0.7627602 1.613271 
1 1 1  -10   38    7 o   29.297   0.5303  833.204   30.160  833.204   30.160   0.0000   0.0000   29.297   0.5303  ?   ?       ?      ? 
1 1 1  -10   38    8 o   83.495   1.5698  6777.11  254.424  6777.11  254.424   0.0000   0.0000   83.495   1.5698  ?   ?       ?      ? 
1 1 1  -10   38    9 o   39.584   1.3588  1522.66  104.408  1522.66  104.408   0.0000   0.0000   39.584   1.3588  ?   ?       ?      ? 
1 1 1  -10   38   10 o   18.269   2.6157  325.483   92.760  325.483   92.760   0.0000   0.0000   18.269   2.6157  ?   ?       ?      ? 
1 1 1  -10   38   11 o   45.765   1.4198  2035.93  126.137  2035.93  126.137   0.0000   0.0000   45.765   1.4198  ?   ?       ?      ? 
1 1 1  -10   38   12 o   44.217   1.3920  1900.61  119.478  1900.61  119.478   0.0000   0.0000   44.217   1.3920  ?   ?       ?      ? 
1 1 1  -10   38   13 o   62.416   1.3893  3787.90  168.334  3787.90  168.334   0.0000   0.0000   62.416   1.3893  ?   ?       ?      ? 
1 1 1  -10   38   14 o   63.312   1.4449  3898.01  177.581  3898.01  177.581   0.0000   0.0000   63.312   1.4449  ?   ?       ?      ? 
1 1 1  -10   38   15 o   65.672   1.4854  4196.09  189.363  4196.09  189.363   0.0000   0.0000   65.672   1.4854  ?   ?       ?      ? 
1 1 1  -10   38   16 o   19.110   1.2566  317.325   24.482  403.362   94.870  311.187   25.340   20.320   2.4051   17.900   0.7292 2.419899 2.513220 
1 1 1  -10   38   17 o   55.648   0.9279  2942.11   92.110  3189.20  170.541  2840.35  109.446   57.238   1.5349   54.059   1.0430 3.178146 1.855721 
1 1 1  -10   38   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   38   19 o   46.825   0.6683  2139.23   60.342  2203.75   81.496  2060.93   89.778   47.614   0.8817   46.035   1.0046 1.579056 1.336698 
1 1 1  -10   38   20 o   44.862   0.6962  1955.89   60.533  1925.47   83.057  1990.34   88.405   44.492   0.9617   45.231   1.0069 -0.7386627 1.392338 
1 1 1  -10   38   21 o   12.839   1.8369  161.164   42.967  201.574   71.952  138.768   53.566   14.031   2.7400   11.646   2.4472 2.385068 3.673723 
1 1 1  -10   38   22 o   30.795   0.8594  922.780   50.462  937.646   79.466  912.736   65.322   30.989   1.3210   30.602   1.0996 0.3863564 1.718799 
1 1 1  -10   38   23 o   11.569   2.0943  140.630   46.185  134.491   76.370  144.169   57.991   11.351   3.2808   11.787   2.6039 -0.4360924 4.188549 
1 1 1  -10   38   24 o   25.248   1.1359  626.969   54.398  633.545   86.846  622.724   69.783   25.317   1.7671   25.179   1.4277 0.1381359 2.271817 
1 1 1  -10   38   25 o   28.019   1.1377  765.929   59.158  805.225  100.565  745.135   73.154   28.498   1.8179   27.540   1.3684 0.9576950 2.275355 
1 1 1  -10   38   26 o   10.343   2.3533  113.518   53.284   99.887   86.264  121.927   67.754   10.030   3.5474   10.657   3.0932 -0.6265430 4.706571 
1 1 1  -10   38   27 o   18.029   1.6503  333.605   57.361  311.569   84.202  352.687   78.355   17.408   2.4918   18.650   2.1644 -1.241747 3.300536 
1 1 1  -10   38   28 o   11.920   2.5049  164.278   61.771  149.824   99.884  173.229   78.605   11.453   3.8261   12.388   3.2340 -0.9351034 5.009763 
1 1 1  -10   39    1 o   63.308   0.8228  3891.60   93.865  3888.69  113.317  3897.97  167.548   63.281   0.9225   63.336   1.3628 -0.5582809E-01 1.645634 
1 1 1  -10   39    2 o   57.680   0.8313  3245.15   83.208  3261.66   97.912  3202.21  157.867   57.956   0.8703   57.404   1.4167 0.5527000 1.662690 
1 1 1  -10   39    3 o   91.028   0.9980  8022.77  163.978  7972.71  197.982  8132.14  292.626   90.597   1.1258   91.458   1.6483 -0.8605042 1.996022 
1 1 1  -10   39    4 o   12.421   2.0705  174.837   30.981  181.016   32.359  106.889  107.310   13.650   1.2212   11.192   3.9567 2.458527 4.140908 
1 1 1  -10   39    5 o   74.240   0.8368  5406.07  102.176  5452.71  117.038  5256.62  209.512   74.938   0.8046   73.543   1.4676 1.394577 1.673656 
1 1 1  -10   39    6 o   32.883   1.0025  1075.98   42.719  1084.88   45.840  1017.26  117.783   33.428   0.7064   32.338   1.8763 1.089840 2.004911 
1 1 1  -10   39    7 o   79.189   0.8422  6089.33  129.462  6089.33  129.462   0.0000   0.0000   79.189   0.8422  ?   ?       ?      ? 
1 1 1  -10   39    8 o   17.323   0.6164  291.339   20.728  291.339   20.728   0.0000   0.0000   17.323   0.6164  ?   ?       ?      ? 
1 1 1  -10   39    9 o  102.197   1.8514 10161.75  367.280 10161.75  367.280   0.0000   0.0000  102.197   1.8514  ?   ?       ?      ? 
1 1 1  -10   39   10 o   63.307   1.3703  3895.36  168.393  3895.36  168.393   0.0000   0.0000   63.307   1.3703  ?   ?       ?      ? 
1 1 1  -10   39   11 o   21.923   2.1545  468.225   91.690  468.225   91.690   0.0000   0.0000   21.923   2.1545  ?   ?       ?      ? 
1 1 1  -10   39   12 o   46.542   1.3907  2106.13  125.647  2106.13  125.647   0.0000   0.0000   46.542   1.3907  ?   ?       ?      ? 
1 1 1  -10   39   13 f   92.532   1.7672  8334.24  317.419  8334.24  317.419   0.0000   0.0000   92.532   1.7672  ?   ?       ?      ? 
1 1 1  -10   39   14 o   84.848   1.6616  7007.68  273.671  7007.68  273.671   0.0000   0.0000   84.848   1.6616  ?   ?       ?      ? 
1 1 1  -10   39   15 o   70.291   1.4522  4806.80  198.147  4806.80  198.147   0.0000   0.0000   70.291   1.4522  ?   ?       ?      ? 
1 1 1  -10   39   16 o   21.421   2.7861  449.539  115.852  449.539  115.852   0.0000   0.0000   21.421   2.7861  ?   ?       ?      ? 
1 1 1  -10   39   17 o   57.741   0.8823  3205.81   95.176  3377.38  159.606  3111.14  118.564   58.911   1.3957   56.571   1.0797 2.339485 1.764551 
1 1 1  -10   39   18 o   43.144   0.6403  1809.70   53.613  1845.71   75.570  1773.21   76.072   43.577   0.8934   42.711   0.9175 0.8660278 1.280599 
1 1 1  -10   39   19 o   60.757   0.8386  3582.85   98.563  3716.46  146.672  3472.84  133.093   61.781   1.2230   59.733   1.1478 2.047905 1.677280 
1 1 1  -10   39   20 o   57.954   0.7390  3273.86   81.745  3295.51  106.527  3242.86  127.486   58.203   0.9429   57.706   1.1381 0.4970741 1.477925 
1 1 1  -10   39   21 o   31.457   0.7413  963.778   45.263  954.474   64.001  973.089   64.023   31.304   1.0532   31.609   1.0434 -0.3048115 1.482559 
1 1 1  -10   39   22 o   11.718   2.0458  133.516   44.887  182.648   76.338  107.552   55.494   13.233   3.0362   10.203   2.7427 3.029882 4.091570 
1 1 1  -10   39   23 o   24.049   1.1721  582.209   52.098  523.565   85.678  616.614   65.624   23.009   1.9182   25.088   1.3475 -2.079172 2.344223 
1 1 1  -10   39   24 o   23.072   1.2122  521.350   52.955  547.664   85.707  505.102   67.348   23.497   1.8791   22.647   1.5320 0.8495178 2.424412 
1 1 1  -10   39   25 o   24.444   1.2601  601.539   57.144  563.057   94.251  623.907   71.857   23.730   2.0461   25.158   1.4714 -1.427992 2.520191 
1 1 1  -10   39   26 o   12.285   2.2249  166.051   53.561  143.838   78.640  185.271   73.150   11.467   3.3336   13.103   2.9474 -1.635697 4.449717 
1 1 1  -10   39   27 o   8.5179   2.3447   49.740   59.247  -6.0160   86.241   99.574   81.533   7.2111   3.1747   9.8247   3.4513 -2.613524 4.689395 
1 1 1  -10   39   28 o   9.2110   2.3575   74.577   62.217 -26.2166   97.901  142.865   80.583   7.2112   3.2627   11.211   3.4039 -3.999660 4.715078 
1 1 1  -10   40    1 o  144.100   1.3672 20206.36  359.496 20213.29  439.115 20192.30  626.032  144.197   1.5688  144.004   2.2395 0.1932831 2.734320 
1 1 1  -10   40    2 o   78.584   0.9200  6057.84  131.096  6165.19  159.903  5837.74  228.958   79.672   1.0339   77.496   1.5220 2.175812 1.839949 
1 1 1  -10   40    3 o   72.443   0.8529  5153.56  100.299  5199.96  114.261  4997.74  209.385   73.180   0.8043   71.705   1.5043 1.474457 1.705817 
1 1 1  -10   40    4 o   27.722   1.0373  804.388   35.602  823.143   38.083  674.371  100.269   29.118   0.6738   26.326   1.9621 2.791510 2.074536 
1 1 1  -10   40    5 o   51.324   0.8207  2604.44   59.982  2626.43   65.599  2492.30  148.154   52.012   0.6497   50.635   1.5073 1.376572 1.641352 
1 1 1  -10   40    6 f   31.786   0.7735  887.757   33.250  854.389   35.585  1117.36   93.345   29.666   0.6179   33.906   1.4182 -4.240818 1.546988 
1 1 1  -10   40    7 o   26.984   0.6053  706.926   31.708  706.926   31.708   0.0000   0.0000   26.984   0.6053  ?   ?       ?      ? 
1 1 1  -10   40    8 o   82.483   0.8825  6607.12  141.309  6607.12  141.309   0.0000   0.0000   82.483   0.8825  ?   ?       ?      ? 
1 1 1  -10   40    9 o   53.924   1.4024  2826.54  146.797  2826.54  146.797   0.0000   0.0000   53.924   1.4024  ?   ?       ?      ? 
1 1 1  -10   40   10 o   23.839   2.2462  553.859  103.947  553.859  103.947   0.0000   0.0000   23.839   2.2462  ?   ?       ?      ? 
1 1 1  -10   40   11 o  109.674   1.9918 11716.85  424.043 11716.85  424.043   0.0000   0.0000  109.674   1.9918  ?   ?       ?      ? 
1 1 1  -10   40   12 o   27.505   2.1734  737.476  116.040  737.476  116.040   0.0000   0.0000   27.505   2.1734  ?   ?       ?      ? 
1 1 1  -10   40   13 o   50.321   1.4998  2463.37  146.508  2463.37  146.508   0.0000   0.0000   50.321   1.4998  ?   ?       ?      ? 
1 1 1  -10   40   14 o   36.297   1.3774  1281.42   97.046  1281.42   97.046   0.0000   0.0000   36.297   1.3774  ?   ?       ?      ? 
1 1 1  -10   40   15 o   59.013   1.4843  3388.80  170.031  3388.80  170.031   0.0000   0.0000   59.013   1.4843  ?   ?       ?      ? 
1 1 1  -10   40   16 o   12.417   3.7595  153.574   98.401  153.574   98.401   0.0000   0.0000   12.417   3.7595  ?   ?       ?      ? 
1 1 1  -10   40   17 o   30.330   0.6046  885.503   35.335  960.968   54.074  829.268   46.679   31.446   0.8858   29.214   0.8231 2.231728 1.209224 
1 1 1  -10   40   18 o   67.684   0.9690  4454.90  127.315  4454.90  127.315   0.0000   0.0000   67.684   0.9690  ?   ?       ?      ? 
1 1 1  -10   40   19 o   36.573   0.6597  1301.42   46.815  1277.15   66.753  1324.91   65.673   36.236   0.9490   36.910   0.9166 -0.6739464 1.319375 
1 1 1  -10   40   20 o   31.770   0.8014  960.545   48.193  1083.54   79.126  888.012   60.763   33.339   1.2226   30.200   1.0365 3.139050 1.602866 
1 1 1  -10   40   21 o   22.510   0.9731  488.615   42.242  558.721   64.230  435.180   56.075   23.914   1.3836   21.107   1.3686 2.807304 1.946184 
1 1 1  -10   40   22 o   26.308   0.9670  659.835   47.230  737.078   81.290  620.474   58.029   27.412   1.5277   25.203   1.1861 2.208872 1.934060 
1 1 1  -10   40   23 o   34.615   0.9003  1155.83   58.755  1248.08   96.774  1101.97   73.943   35.659   1.3981   33.571   1.1347 2.088203 1.800573 
1 1 1  -10   40   24 o   9.5610   2.1963   94.038   48.230   52.448   78.662  119.093   61.053   8.5043   3.3111   10.618   2.8864 -2.113236 4.392589 
1 1 1  -10   40   25 o   21.680   1.3539  456.951   55.272  520.440   92.132  421.252   69.085   22.769   2.0845   20.592   1.7283 2.177353 2.707792 
1 1 1  -10   40   26 o   22.780   1.2736  519.593   56.217  500.915   80.975  536.972   78.110   22.360   1.8656   23.200   1.7344 -0.8400326 2.547291 
1 1 1  -10   40   27 o   20.703   1.5728  441.613   62.383  421.227   94.725  457.227   82.899   20.180   2.4181   21.227   2.0118 -1.047083 3.145613 
1 1 1  -10   41    1 f   21.853   1.4866  484.554   51.578  500.280   58.633  430.750  108.451   22.689   1.3312   21.016   2.6584 1.673899 2.973114 
1 1 1  -10   41    2 o   26.491   1.2440  682.157   51.230  681.880   57.298  683.261  114.385   26.494   1.1141   26.487   2.2247 0.6891251E-02 2.488050 
1 1 1  -10   41    3 o   51.233   0.7611  2522.89   60.082  2505.88   66.893  2593.85  136.668   50.804   0.6783   51.663   1.3628 -0.8591347 1.522255 
1 1 1  -10   41    4 o   72.197   0.8754  5097.02   99.705  5120.56  112.221  5008.79  217.248   72.618   0.7961   71.776   1.5592 0.8419800 1.750709 
1 1 1  -10   41    5 o   24.438   0.9567  570.912   32.789  566.754   35.593  594.222   84.274   24.160   0.7590   24.716   1.7565 -0.5564938 1.913454 
1 1 1  -10   41    6 o   69.838   0.7673  4735.88  104.023  4735.88  104.023   0.0000   0.0000   69.838   0.7673  ?   ?       ?      ? 
1 1 1  -10   41    7 o   12.624   1.1337  154.820   27.782  154.820   27.782   0.0000   0.0000   12.624   1.1337  ?   ?       ?      ? 
1 1 1  -10   41    8 o   40.376   0.6206  1582.73   48.639  1582.73   48.639   0.0000   0.0000   40.376   0.6206  ?   ?       ?      ? 
1 1 1  -10   41    9 f   27.651   1.9950  744.585  107.085  744.585  107.085   0.0000   0.0000   27.651   1.9950  ?   ?       ?      ? 
1 1 1  -10   41   10 o   80.158   1.5968  6251.01  248.456  6251.01  248.456   0.0000   0.0000   80.158   1.5968  ?   ?       ?      ? 
1 1 1  -10   41   11 o   17.198   3.3082  299.536  106.436  299.536  106.436   0.0000   0.0000   17.198   3.3082  ?   ?       ?      ? 
1 1 1  -10   41   12 o   41.487   1.4989  1674.37  120.714  1674.37  120.714   0.0000   0.0000   41.487   1.4989  ?   ?       ?      ? 
1 1 1  -10   41   13 o   85.749   1.6403  7158.39  273.036  7158.39  273.036   0.0000   0.0000   85.749   1.6403  ?   ?       ?      ? 
1 1 1  -10   41   14 o   53.425   1.5048  2777.42  156.058  2777.42  156.058   0.0000   0.0000   53.425   1.5048  ?   ?       ?      ? 
1 1 1  -10   41   15 o   49.867   1.4337  2419.93  138.788  2419.93  138.788   0.0000   0.0000   49.867   1.4337  ?   ?       ?      ? 
1 1 1  -10   41   16 o   79.334   1.6059  6132.13  247.312  6132.13  247.312   0.0000   0.0000   79.334   1.6059  ?   ?       ?      ? 
1 1 1  -10   41   17 o   25.367   0.6174  624.244   30.172  635.157   45.752  615.845   40.136   25.561   0.9221   25.173   0.8213 0.3874359 1.234852 
1 1 1  -10   41   18 o   20.223   0.8365  400.846   32.253  383.280   49.998  413.366   42.209   19.835   1.2985   20.612   1.0549 -0.7768593 1.673058 
1 1 1  -10   41   19 o   35.880   0.6553  1249.29   45.573  1309.75   66.694  1196.32   62.419   36.691   0.9364   35.068   0.9169 1.623150 1.310568 
1 1 1  -10   41   20 o   29.004   0.7329  820.016   41.215  803.213   59.420  835.596   57.215   28.715   1.0660   29.294   1.0062 -0.5789356 1.465853 
1 1 1  -10   41   21 o   16.872   1.3157  266.337   41.867  341.702   70.130  224.602   52.188   18.626   1.9396   15.118   1.7783 3.507477 2.631442 
1 1 1  -10   41   22 o   25.249   0.8837  628.698   42.959  560.960   62.413  689.679   59.218   23.930   1.3436   26.567   1.1483 -2.636749 1.767413 
1 1 1  -10   41   23 o   16.135   1.9018  319.403   49.689  156.062   85.655  402.249   61.002   12.064   3.4710   20.206   1.5552 -8.141974 3.803517 
1 1 1  -10   41   24 o   25.366   1.0972  622.599   52.868  694.927   85.713  578.185   67.166   26.499   1.6663   24.233   1.4278 2.266054 2.194344 
1 1 1  -10   41   25 o   13.128   2.2310  184.434   54.179  199.107   92.041  176.655   67.021   13.394   3.5010   12.863   2.7664 0.5311537 4.461997 
1 1 1  -10   41   26 o   13.984   2.0421  216.772   54.497  139.941   79.192  285.889   75.111   11.245   3.3655   16.722   2.3139 -5.476914 4.084197 
1 1 1  -10   41   27 o   16.527   2.1614  302.448   65.956  280.145  103.855  317.524   85.385   15.628   3.5094   17.427   2.5240 -1.799874 4.322754 
1 1 1  -10   42    1 f   24.346   1.4173  632.107   53.746  677.045   61.397  484.768  111.174   26.397   1.1982   22.294   2.5689 4.103149 2.834588 
1 1 1  -10   42    2 o   57.885   0.9581  3275.18  106.870  3445.54  145.055  3072.92  158.054   59.547   1.2549   56.224   1.4482 3.322765 1.916234 
1 1 1  -10   42    3 o   23.482   1.4038  546.883   41.757  550.204   44.617  523.444  118.538   23.801   0.9657   23.163   2.6363 0.6376076 2.807585 
1 1 1  -10   42    4 o   27.422   0.8839  700.485   35.369  685.659   38.637  777.175   87.875   26.573   0.7490   28.270   1.6013 -1.696621 1.767831 
1 1 1  -10   42    5 o   51.100   0.8293  2527.23   60.667  2522.49   66.256  2551.80  150.907   50.971   0.6696   51.230   1.5175 -0.2590141 1.658650 
1 1 1  -10   42    6 o   49.755   0.6507  2403.57   62.852  2403.57   62.852   0.0000   0.0000   49.755   0.6507  ?   ?       ?      ? 
1 1 1  -10   42    7 o   51.272   0.6349  2552.31   63.186  2552.31   63.186   0.0000   0.0000   51.272   0.6349  ?   ?       ?      ? 
1 1 1  -10   42    8 o   72.474   0.7877  5100.77  110.818  5100.77  110.818   0.0000   0.0000   72.474   0.7877  ?   ?       ?      ? 
1 1 1  -10   42    9 o   65.083   0.7337  4113.29   92.696  4113.29   92.696   0.0000   0.0000   65.083   0.7337  ?   ?       ?      ? 
1 1 1  -10   42   10 o   55.324   1.3480  2975.71  144.765  2975.71  144.765   0.0000   0.0000   55.324   1.3480  ?   ?       ?      ? 
1 1 1  -10   42   11 o   43.516   1.3948  1841.62  117.825  1841.62  117.825   0.0000   0.0000   43.516   1.3948  ?   ?       ?      ? 
1 1 1  -10   42   12 o   19.503   2.4868  371.780   94.149  371.780   94.149   0.0000   0.0000   19.503   2.4868  ?   ?       ?      ? 
1 1 1  -10   42   13 o   30.773   2.0631  923.577  123.244  923.577  123.244   0.0000   0.0000   30.773   2.0631  ?   ?       ?      ? 
1 1 1  -10   42   14 o   57.624   1.4747  3231.71  164.960  3231.71  164.960   0.0000   0.0000   57.624   1.4747  ?   ?       ?      ? 
1 1 1  -10   42   15 o   17.907   2.6777  314.374   93.076  314.374   93.076   0.0000   0.0000   17.907   2.6777  ?   ?       ?      ? 
1 1 1  -10   42   16 o   33.889   1.8348  1121.34  120.700  1121.34  120.700   0.0000   0.0000   33.889   1.8348  ?   ?       ?      ? 
1 1 1  -10   42   17 o   49.365   0.8454  2368.83   81.009  2368.83   81.009   0.0000   0.0000   49.365   0.8454  ?   ?       ?      ? 
1 1 1  -10   42   18 o   56.726   0.7021  3154.40   76.340  3299.98  101.668  2966.21  115.590   58.251   0.8991   55.202   1.0787 3.048790 1.404287 
1 1 1  -10   42   19 o   17.501   1.0674  291.059   35.024  330.757   59.071  269.539   43.493   18.384   1.6553   16.619   1.3482 1.765230 2.134846 
1 1 1  -10   42   20 o   23.970   0.8474  563.863   38.695  542.022   60.213  579.228   50.504   23.559   1.3166   24.380   1.0671 -0.8206959 1.694790 
1 1 1  -10   42   21 o   10.150   1.9356   97.615   38.734  150.751   64.475   67.608   48.452   12.015   2.8139   8.2858   2.6585 3.728953 3.871161 
1 1 1  -10   42   22 o   8.5678   1.8758   68.961   41.248 -16.4112   65.722  124.443   52.982   6.2234   2.7540   10.912   2.5475 -4.688707 3.751631 
1 1 1  -10   42   23 f   44.017   0.8394  1872.58   70.614  2034.65  111.804  1765.03   91.079   45.554   1.2643   42.480   1.1045 3.074783 1.678837 
1 1 1  -10   42   24 o   39.759   0.9138  1545.58   68.937  1594.83  110.507  1514.21   88.204   40.223   1.4153   39.294   1.1564 0.9293365 1.827637 
1 1 1  -10   42   25 o   19.726   1.5491  399.012   56.868  375.337   93.068  413.118   71.839   19.125   2.5069   20.326   1.8207 -1.201284 3.098287 
1 1 1  -10   42   26 o   10.716   2.4933  125.543   59.209  129.390   94.216  123.032   76.119   10.864   3.7155   10.568   3.3259 0.2964258 4.986651 
1 1 1  -10   43    1 o   52.296   0.9024  2619.18   80.026  2579.42   92.485  2737.64  159.647   51.534   0.9245   53.058   1.5500 -1.524166 1.804807 
1 1 1  -10   43    2 o   47.708   0.8574  2258.76   59.326  2283.27   65.215  2141.14  142.873   48.493   0.6928   46.922   1.5686 1.570690 1.714762 
1 1 1  -10   43    3 o   7.1306   2.1166 -36.9179   36.630 -55.6991   39.335   85.739  100.521   3.8530   1.8450   10.408   3.8101 -6.555332 4.233272 
1 1 1  -10   43    4 o   81.705   0.9431  6477.99  123.248  6469.65  139.221  6508.18  265.006   81.618   0.8787   81.793   1.6691 -0.1750641 1.886257 
1 1 1  -10   43    5 o   70.616   0.8569  4828.13   95.416  4815.45  107.179  4876.56  209.491   70.419   0.7841   70.813   1.5240 -0.3939972 1.713883 
1 1 1  -10   43    6 o   52.031   0.6695  2628.65   67.625  2628.65   67.625   0.0000   0.0000   52.031   0.6695  ?   ?       ?      ? 
1 1 1  -10   43    7 o   20.149   0.8431  394.291   32.974  394.291   32.974   0.0000   0.0000   20.149   0.8431  ?   ?       ?      ? 
1 1 1  -10   43    8 o   31.393   0.6093  956.860   37.129  956.860   37.129   0.0000   0.0000   31.393   0.6093  ?   ?       ?      ? 
1 1 1  -10   43    9 o   64.477   0.7263  4037.08   90.904  4037.08   90.904   0.0000   0.0000   64.477   0.7263  ?   ?       ?      ? 
1 1 1  -10   43   10 o   60.340   1.4214  3541.50  166.494  3541.50  166.494   0.0000   0.0000   60.340   1.4214  ?   ?       ?      ? 
1 1 1  -10   43   11 o   62.059   1.4615  3747.10  176.067  3747.10  176.067   0.0000   0.0000   62.059   1.4615  ?   ?       ?      ? 
1 1 1  -10   43   12 o   12.836   4.0271  161.470  111.696  161.470  111.696   0.0000   0.0000   12.836   4.0271  ?   ?       ?      ? 
1 1 1  -10   43   13 o   85.995   1.6898  7203.29  282.085  7203.29  282.085   0.0000   0.0000   85.995   1.6898  ?   ?       ?      ? 
1 1 1  -10   43   14 o   53.435   1.3890  2778.69  144.073  2778.69  144.073   0.0000   0.0000   53.435   1.3890  ?   ?       ?      ? 
1 1 1  -10   43   15 o   99.966   1.8727  9756.54  363.408  9756.54  363.408   0.0000   0.0000   99.966   1.8727  ?   ?       ?      ? 
1 1 1  -10   43   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   43   17 o   25.482   0.9717  631.627   48.063  631.627   48.063   0.0000   0.0000   25.482   0.9717  ?   ?       ?      ? 
1 1 1  -10   43   18 o   7.5965   1.7656   48.891   30.066   79.182   49.041   30.649   38.057   8.8832   2.6461   6.3098   2.3384 2.573385 3.531291 
1 1 1  -10   43   19 o   12.940   1.3243  161.254   32.676  180.881   52.375  148.746   41.810   13.563   1.9893   12.317   1.7486 1.245578 2.648605 
1 1 1  -10   43   20 o   28.994   0.7633  812.358   42.737  894.198   64.610  748.698   56.983   30.278   1.0993   27.710   1.0594 2.567728 1.526662 
1 1 1  -10   43   21 o   28.643   0.8031  795.566   44.203  843.270   68.302  761.188   57.983   29.366   1.1982   27.921   1.0698 1.444651 1.606284 
1 1 1  -10   43   22 o   26.774   0.9263  719.677   46.806  616.257   71.943  795.580   61.634   25.027   1.4809   28.520   1.1133 -3.492941 1.852645 
1 1 1  -10   43   23 o   38.798   0.7804  1473.15   58.742  1461.77   81.562  1485.42   84.675   38.647   1.0872   38.949   1.1199 -0.3015900 1.560845 
1 1 1  -10   43   24 o   26.133   1.2025  688.850   57.535  647.958   97.660  710.588   71.204   25.420   1.9791   26.847   1.3663 -1.426474 2.404941 
1 1 1  -10   43   25 f   12.364   2.3179  166.043   55.118  186.330   90.676  154.154   69.414   12.861   3.5265   11.866   3.0091 0.9947443 4.635839 
1 1 1  -10   43   26 o   9.0285   2.4173   74.356   60.013   34.596   90.931  105.039   79.880   8.1610   3.4177   9.8960   3.4195 -1.734929 4.834614 
1 1 1  -10   44    1 o   78.542   0.9687  6050.92  137.887  6149.46  168.044  5847.85  241.235   79.554   1.0882   77.530   1.6029 2.024773 1.937368 
1 1 1  -10   44    2 o   85.372   0.9710  7170.68  134.974  7242.99  154.008  6931.20  280.280   86.352   0.9188   84.392   1.7109 1.959686 1.941985 
1 1 1  -10   44    3 o   71.977   0.9019  5063.60  102.055  5083.36  114.706  4988.54  223.544   72.348   0.8168   71.606   1.6082 0.7413864 1.803744 
1 1 1  -10   44    4 o  118.312   1.2306 13724.52  243.268 13823.01  280.624 13426.68  487.983  119.258   1.2122  117.365   2.1419 1.892433 2.461134 
1 1 1  -10   44    5 f   27.466   1.1655  701.279   38.034  692.957   40.084  776.442  120.469   26.712   0.7730   28.220   2.1992 -1.507429 2.331058 
1 1 1  -10   44    6 o   15.915   1.1398  246.145   35.215  246.145   35.215   0.0000   0.0000   15.915   1.1398  ?   ?       ?      ? 
1 1 1  -10   44    7 o   67.361   0.7666  4406.43  100.243  4406.43  100.243   0.0000   0.0000   67.361   0.7666  ?   ?       ?      ? 
1 1 1  -10   44    8 o   52.857   0.6588  2712.91   67.595  2712.91   67.595   0.0000   0.0000   52.857   0.6588  ?   ?       ?      ? 
1 1 1  -10   44    9 f   5.4400   2.0083   22.510   28.015   22.510   28.015   0.0000   0.0000   5.4400   2.0083  ?   ?       ?      ? 
1 1 1  -10   44   10 o   55.099   0.8739  2949.12   93.471  2949.12   93.471   0.0000   0.0000   55.099   0.8739  ?   ?       ?      ? 
1 1 1  -10   44   11 o   93.861   1.7905  8582.25  326.222  8582.25  326.222   0.0000   0.0000   93.861   1.7905  ?   ?       ?      ? 
1 1 1  -10   44   12 o   64.625   1.4558  4064.34  182.624  4064.34  182.624   0.0000   0.0000   64.625   1.4558  ?   ?       ?      ? 
1 1 1  -10   44   13 f   7.8290   3.3863 -10.5758   94.483 -10.5758   94.483   0.0000   0.0000   7.8290   3.3863  ?   ?       ?      ? 
1 1 1  -10   44   14 o   56.207   1.5399  3078.27  168.021  3078.27  168.021   0.0000   0.0000   56.207   1.5399  ?   ?       ?      ? 
1 1 1  -10   44   15 o   26.843   1.9917  704.885  103.780  704.885  103.780   0.0000   0.0000   26.843   1.9917  ?   ?       ?      ? 
1 1 1  -10   44   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   44   17 o   70.321   0.9879  4812.31  134.857  4812.31  134.857   0.0000   0.0000   70.321   0.9879  ?   ?       ?      ? 
1 1 1  -10   44   18 o   28.635   0.6562  785.813   36.081  880.098   56.272  719.987   47.019   30.068   0.9641   27.202   0.8904 2.866417 1.312380 
1 1 1  -10   44   19 o   21.816   0.8450  461.988   35.134  476.916   55.589  452.058   45.338   22.098   1.2959   21.534   1.0846 0.5635128 1.689903 
1 1 1  -10   44   20 o   39.267   0.9878  1503.59   75.297  1503.59   75.297   0.0000   0.0000   39.267   0.9878  ?   ?       ?      ? 
1 1 1  -10   44   21 o   31.127   0.7780  944.805   46.773  970.144   70.132  924.507   62.771   31.492   1.1472   30.762   1.0512 0.7304344 1.556001 
1 1 1  -10   44   22 o   23.775   0.9507  551.396   43.699  594.766   65.511  516.630   58.654   24.606   1.3715   22.944   1.3170 1.662508 1.901434 
1 1 1  -10   44   23 o   28.764   0.9272  817.837   51.477  764.423   75.312  864.673   70.522   27.854   1.3929   29.674   1.2243 -1.820629 1.854452 
1 1 1  -10   44   24 o   16.578   1.8277  303.596   52.755  231.021   86.620  346.390   66.515   14.549   3.1577   18.607   1.8415 -4.057944 3.655399 
1 1 1  -10   44   25 o   21.166   1.5478  468.183   58.691  425.277  102.279  489.248   71.664   20.208   2.6074   22.123   1.6687 -1.915354 3.095633 
1 1 1  -10   45    1 o   67.970   0.9467  4518.93  113.181  4557.17  134.480  4426.06  209.566   68.490   1.0115   67.449   1.6006 1.040230 1.893409 
1 1 1  -10   45    2 o   57.603   0.8465  3144.11   73.900  3097.26   81.700  3354.94  173.301   56.475   0.7452   58.730   1.5201 -2.254871 1.692961 
1 1 1  -10   45    3 o  124.493   1.2859 15164.71  267.362 15238.96  308.169 14938.74  537.632  125.210   1.2679  123.776   2.2376 1.433441 2.571854 
1 1 1  -10   45    4 o   58.405   0.8654  3337.33   75.640  3349.96   83.698  3281.07  176.691   58.734   0.7341   58.075   1.5673 0.6589775 1.730714 
1 1 1  -10   45    5 o   24.498   1.3989  622.215   39.277  631.857   41.497  539.255  121.719   25.506   0.8381   23.491   2.6693 2.015556 2.797790 
1 1 1  -10   45    6 o   49.415   0.6642  2371.11   63.713  2371.11   63.713   0.0000   0.0000   49.415   0.6642  ?   ?       ?      ? 
1 1 1  -10   45    7 o   48.543   0.6644  2288.22   62.609  2288.22   62.609   0.0000   0.0000   48.543   0.6644  ?   ?       ?      ? 
1 1 1  -10   45    8 o   45.552   0.6417  2014.91   56.741  2014.91   56.741   0.0000   0.0000   45.552   0.6417  ?   ?       ?      ? 
1 1 1  -10   45    9 o   66.001   0.7503  4230.65   96.123  4230.65   96.123   0.0000   0.0000   66.001   0.7503  ?   ?       ?      ? 
1 1 1  -10   45   10 o   71.509   0.7931  4966.79  110.090  4966.79  110.090   0.0000   0.0000   71.509   0.7931  ?   ?       ?      ? 
1 1 1  -10   45   11 o   83.887   1.6260  6852.99  264.778  6852.99  264.778   0.0000   0.0000   83.887   1.6260  ?   ?       ?      ? 
1 1 1  -10   45   12 o   32.568   1.6357  1033.32  103.413  1033.32  103.413   0.0000   0.0000   32.568   1.6357  ?   ?       ?      ? 
1 1 1  -10   45   13 o   95.515   1.8203  8902.76  337.511  8902.76  337.511   0.0000   0.0000   95.515   1.8203  ?   ?       ?      ? 
1 1 1  -10   45   14 o   46.514   1.4729  2108.94  132.991  2108.94  132.991   0.0000   0.0000   46.514   1.4729  ?   ?       ?      ? 
1 1 1  -10   45   15 o   8.7854   3.6806   16.696  105.527   16.696  105.527   0.0000   0.0000   8.7854   3.6806  ?   ?       ?      ? 
1 1 1  -10   45   16 o   16.905   1.0007  278.108   32.838  278.108   32.838   0.0000   0.0000   16.905   1.0007  ?   ?       ?      ? 
1 1 1  -10   45   17 o   14.642   1.6206  209.746   46.061  209.746   46.061   0.0000   0.0000   14.642   1.6206  ?   ?       ?      ? 
1 1 1  -10   45   18 o   45.716   0.8399  2033.52   74.539  2033.52   74.539   0.0000   0.0000   45.716   0.8399  ?   ?       ?      ? 
1 1 1  -10   45   19 o   11.948   1.4918  143.354   32.992  144.938   52.715  142.334   42.300   11.875   2.3699   12.022   1.8126 -0.1473618 2.983618 
1 1 1  -10   45   20 o   9.0297   1.9209   84.974   36.951   61.076   58.877  100.504   47.461   8.2349   2.9287   9.8246   2.4865 -1.589706 3.841870 
1 1 1  -10   45   21 o   5.0135   1.6460 -44.3021   38.449 -85.0955   64.048 -21.3172   48.076   4.9102   2.3520   5.1168   2.3034 -0.2066035 3.292043 
1 1 1  -10   45   22 o   20.486   1.1050  420.977   42.929  378.950   66.232  451.425   56.375   19.546   1.7456   21.425   1.3555 -1.878841 2.210066 
1 1 1  -10   45   23 o   21.917   1.1728  484.308   49.013  427.171   73.700  529.617   65.630   20.684   1.8355   23.150   1.4604 -2.465887 2.345639 
1 1 1  -10   45   24 o   23.253   1.3063  523.611   56.607  609.619   97.167  479.423   69.646   24.566   2.0376   21.939   1.6354 2.627352 2.612691 
1 1 1  -10   45   25 o   12.348   2.3546  170.853   55.991  180.831   94.446  165.446   69.526   12.480   3.6605   12.216   2.9625 0.2638044 4.709122 
1 1 1  -10   46    1 o   50.627   0.8771  2448.36   78.936  2386.30   93.735  2599.71  146.373   49.559   0.9743   51.694   1.4587 -2.135529 1.754146 
1 1 1  -10   46    2 o   78.502   0.9423  6101.55  119.337  6191.46  135.819  5797.08  249.937   79.836   0.8764   77.167   1.6685 2.668610 1.884680 
1 1 1  -10   46    3 o   63.639   0.8774  3880.23   84.175  3847.22   93.055  4028.84  197.439   62.939   0.7617   64.340   1.5808 -1.400936 1.754758 
1 1 1  -10   46    4 o   14.922   2.0553  238.783   39.608  244.958   42.535  198.492  108.650   15.870   1.3807   13.974   3.8718 1.895899 4.110676 
1 1 1  -10   46    5 f   73.067   0.8579  5194.19  102.225  5197.35  116.434  5183.56  213.537   73.149   0.8200   72.986   1.5072 0.1630249 1.715813 
1 1 1  -10   46    6 o   30.673   0.7264  913.705   43.250  913.705   43.250   0.0000   0.0000   30.673   0.7264  ?   ?       ?      ? 
1 1 1  -10   46    7 o   62.494   0.7357  3792.91   89.253  3792.91   89.253   0.0000   0.0000   62.494   0.7357  ?   ?       ?      ? 
1 1 1  -10   46    8 o   84.937   0.9009  7008.65  148.546  7008.65  148.546   0.0000   0.0000   84.937   0.9009  ?   ?       ?      ? 
1 1 1  -10   46    9 o   46.344   0.6399  2085.61   57.565  2085.61   57.565   0.0000   0.0000   46.344   0.6399  ?   ?       ?      ? 
1 1 1  -10   46   10 o   52.777   0.6520  2705.02   66.796  2705.02   66.796   0.0000   0.0000   52.777   0.6520  ?   ?       ?      ? 
1 1 1  -10   46   11 o   14.079   1.0390  192.673   28.395  192.673   28.395   0.0000   0.0000   14.079   1.0390  ?   ?       ?      ? 
1 1 1  -10   46   12 o   36.015   1.7894  1265.60  125.098  1265.60  125.098   0.0000   0.0000   36.015   1.7894  ?   ?       ?      ? 
1 1 1  -10   46   13 o   23.288   2.3611  532.184  106.736  532.184  106.736   0.0000   0.0000   23.288   2.3611  ?   ?       ?      ? 
1 1 1  -10   46   14 o   26.116   2.0698  668.214  104.927  668.214  104.927   0.0000   0.0000   26.116   2.0698  ?   ?       ?      ? 
1 1 1  -10   46   15 o   35.456   1.7614  1229.74  121.227  1229.74  121.227   0.0000   0.0000   35.456   1.7614  ?   ?       ?      ? 
1 1 1  -10   46   16 o   8.7970   2.1069   79.112   35.503   79.112   35.503   0.0000   0.0000   8.7970   2.1069  ?   ?       ?      ? 
1 1 1  -10   46   17 o   15.362   1.4715  230.720   43.881  230.720   43.881   0.0000   0.0000   15.362   1.4715  ?   ?       ?      ? 
1 1 1  -10   46   18 o   36.793   0.6321  1315.75   45.048  1353.65   66.282  1283.21   61.413   37.281   0.9159   36.304   0.8714 0.9769592 1.264223 
1 1 1  -10   46   19 o   33.520   0.6779  1089.07   43.974  1186.41   65.357  1008.56   59.440   34.879   0.9653   32.161   0.9521 2.718266 1.355846 
1 1 1  -10   46   20 o   26.155   0.8047  665.440   40.664  707.269   61.183  632.341   54.425   26.881   1.1725   25.429   1.1025 1.451326 1.609484 
1 1 1  -10   46   21 o   21.223   1.0114  446.017   40.834  427.577   63.729  458.860   53.187   20.818   1.5770   21.628   1.2668 -0.8104839 2.022837 
1 1 1  -10   46   22 o   20.670   1.0473  421.917   41.832  422.164   62.163  421.712   56.552   20.659   1.5501   20.681   1.4087 -0.2283478E-01 2.094557 
1 1 1  -10   46   23 o   6.4235   1.9617   1.1004   44.673  -4.8079   65.847   6.1388   60.808   6.4067   2.7984   6.4404   2.7499 -0.3363132E-01 3.923417 
1 1 1  -10   46   24 f   20.196   1.4629  400.518   55.906  476.012   92.356  356.858   70.235   21.588   2.2039   18.803   1.9242 2.784716 2.925714 
1 1 1  -10   47    1 o   42.792   0.9206  1715.93   56.329  1686.21   61.279  1877.87  143.060   41.668   0.7576   43.917   1.6781 -2.249485 1.841200 
1 1 1  -10   47    2 o   12.821   2.1270  197.402   42.205  216.546   45.838   90.792  108.174   14.916   1.5831   10.727   3.9485 4.188937 4.254074 
1 1 1  -10   47    3 o   64.492   0.8404  4007.29   85.845  3981.38   96.496  4105.60  187.963   64.026   0.7764   64.958   1.4906 -0.9326248 1.680722 
1 1 1  -10   47    4 o   24.336   1.3958  566.684   43.422  563.233   46.326  591.649  124.600   24.076   0.9912   24.596   2.6096 -0.5200787 2.791554 
1 1 1  -10   47    5 o   59.949   0.7490  3490.35   87.157  3490.35   87.157   0.0000   0.0000   59.949   0.7490  ?   ?       ?      ? 
1 1 1  -10   47    6 o   35.753   0.7321  1241.47   50.811  1241.47   50.811   0.0000   0.0000   35.753   0.7321  ?   ?       ?      ? 
1 1 1  -10   47    7 o   87.127   0.9280  7375.52  156.958  7375.52  156.958   0.0000   0.0000   87.127   0.9280  ?   ?       ?      ? 
1 1 1  -10   47    8 o   4.2762   1.9462 -22.4339   35.464 -22.4339   35.464   0.0000   0.0000   4.2762   1.9462  ?   ?       ?      ? 
1 1 1  -10   47    9 o   58.706   0.7112  3347.36   81.053  3347.36   81.053   0.0000   0.0000   58.706   0.7112  ?   ?       ?      ? 
1 1 1  -10   47   10 o   61.012   0.7247  3615.78   85.833  3615.78   85.833   0.0000   0.0000   61.012   0.7247  ?   ?       ?      ? 
1 1 1  -10   47   11 o   29.642   0.6450  853.412   37.111  853.412   37.111   0.0000   0.0000   29.642   0.6450  ?   ?       ?      ? 
1 1 1  -10   47   12 o   63.216   0.9444  3885.64  115.888  3885.64  115.888   0.0000   0.0000   63.216   0.9444  ?   ?       ?      ? 
1 1 1  -10   47   13 o   41.303   1.4447  1663.37  115.829  1663.37  115.829   0.0000   0.0000   41.303   1.4447  ?   ?       ?      ? 
1 1 1  -10   47   14 o   32.623   1.9000  1042.34  120.324  1042.34  120.324   0.0000   0.0000   32.623   1.9000  ?   ?       ?      ? 
1 1 1  -10   47   15 o   23.401   0.8606  532.632   39.092  532.632   39.092   0.0000   0.0000   23.401   0.8606  ?   ?       ?      ? 
1 1 1  -10   47   16 f   21.316   1.0163  442.494   42.050  442.494   42.050   0.0000   0.0000   21.316   1.0163  ?   ?       ?      ? 
1 1 1  -10   47   17 o   10.087   2.3804  104.867   45.860  104.867   45.860   0.0000   0.0000   10.087   2.3804  ?   ?       ?      ? 
1 1 1  -10   47   18 o   10.524   2.4562  114.895   49.261  114.895   49.261   0.0000   0.0000   10.524   2.4562  ?   ?       ?      ? 
1 1 1  -10   47   19 o   12.996   1.3905  161.564   34.375  200.492   55.810  137.768   43.635   14.202   2.0243   11.789   1.9068 2.413762 2.780972 
1 1 1  -10   47   20 o   26.156   0.8376  666.163   42.006  693.230   65.233  646.988   54.904   26.592   1.2637   25.721   1.0997 0.8710957 1.675195 
1 1 1  -10   47   21 o   25.745   0.8948  649.467   44.279  661.991   67.803  640.154   58.470   25.941   1.3465   25.549   1.1789 0.3915653 1.789639 
1 1 1  -10   47   22 o   15.686   1.4603  247.176   43.836  250.428   68.040  244.867   57.317   15.728   2.2286   15.644   1.8875 0.8395290E-01 2.920526 
1 1 1  -10   47   23 f   19.505   1.5148  422.263   51.407  277.784   83.966  508.890   65.017   16.358   2.6444   22.653   1.4786 -6.295031 3.029659 
1 1 1  -10   47   24 o   20.270   1.4647  417.350   55.096  425.670   92.734  412.812   68.496   20.281   2.3555   20.260   1.7417 0.2132416E-01 2.929494 
1 1 1  -10   48    1 o   56.345   0.8682  3122.74   75.890  3146.99   84.996  3027.41  168.521   56.921   0.7692   55.768   1.5567 1.153282 1.736379 
1 1 1  -10   48    2 o   27.962   1.3123  797.167   49.331  811.633   53.440  713.805  128.285   28.902   0.9525   27.022   2.4456 1.879881 2.624592 
1 1 1  -10   48    3 o   32.480   1.1682  1111.51   48.971  1143.18   52.814  917.356  130.769   34.306   0.7931   30.654   2.1976 3.652336 2.336344 
1 1 1  -10   48    4 o   20.634   1.7716  477.405   42.949  496.316   46.104  353.275  118.119   22.598   1.0510   18.670   3.3837 3.927385 3.543174 
1 1 1  -10   48    5 o   36.129   0.9077  1268.25   63.661  1268.25   63.661   0.0000   0.0000   36.129   0.9077  ?   ?       ?      ? 
1 1 1  -10   48    6 o   25.935   0.9129  653.536   45.957  653.536   45.957   0.0000   0.0000   25.935   0.9129  ?   ?       ?      ? 
1 1 1  -10   48    7 o   35.151   0.7304  1200.14   49.838  1200.14   49.838   0.0000   0.0000   35.151   0.7304  ?   ?       ?      ? 
1 1 1  -10   48    8 o   68.138   0.7836  4510.29  103.641  4510.29  103.641   0.0000   0.0000   68.138   0.7836  ?   ?       ?      ? 
1 1 1  -10   48    9 o   57.447   0.7176  3205.74   80.019  3205.74   80.019   0.0000   0.0000   57.447   0.7176  ?   ?       ?      ? 
1 1 1  -10   48   10 o   38.673   0.9025  1453.75   67.751  1453.75   67.751   0.0000   0.0000   38.673   0.9025  ?   ?       ?      ? 
1 1 1  -10   48   11 o   46.644   0.7986  2114.43   72.309  2114.43   72.309   0.0000   0.0000   46.644   0.7986  ?   ?       ?      ? 
1 1 1  -10   48   12 o   44.573   0.6261  1930.02   54.170  1930.02   54.170   0.0000   0.0000   44.573   0.6261  ?   ?       ?      ? 
1 1 1  -10   48   13 o   34.656   1.7533  1174.79  117.949  1174.79  117.949   0.0000   0.0000   34.656   1.7533  ?   ?       ?      ? 
1 1 1  -10   48   14 o   51.854   1.3625  2623.86  137.149  2623.86  137.149   0.0000   0.0000   51.854   1.3625  ?   ?       ?      ? 
1 1 1  -10   48   15 o   31.826   0.7967  985.158   49.220  985.158   49.220   0.0000   0.0000   31.826   0.7967  ?   ?       ?      ? 
1 1 1  -10   48   16 o   21.909   1.0108  467.647   42.986  467.647   42.986   0.0000   0.0000   21.909   1.0108  ?   ?       ?      ? 
1 1 1  -10   48   17 o   4.7750   2.2129 -39.8421   48.793 -39.8421   48.793   0.0000   0.0000   4.7750   2.2129  ?   ?       ?      ? 
1 1 1  -10   48   18 o   27.063   1.1085  715.750   58.234  715.750   58.234   0.0000   0.0000   27.063   1.1085  ?   ?       ?      ? 
1 1 1  -10   48   19 o   7.8531   1.8044   60.563   33.494   23.982   52.979   84.919   43.230   6.6731   2.6793   9.0330   2.4176 -2.359948 3.608799 
1 1 1  -10   48   20 o   29.028   0.7510  821.381   42.229  896.503   61.698  755.173   57.922   30.275   1.0498   27.781   1.0740 2.493631 1.501908 
1 1 1  -10   48   21 f   7.0600   1.7846  -0.7683   38.807  103.499   59.927 -76.0712   50.928   9.8732   2.9215   4.2469   2.0504 5.626325 3.569173 
1 1 1  -10   48   22 o   6.6286   1.9673   14.190   42.522   10.397   64.629   17.085   56.465   6.7175   2.8507   6.5397   2.7120 0.1777544 3.934633 
1 1 1  -10   48   23 o   11.565   2.1797  156.117   50.664  105.219   84.836  184.333   63.165   10.006   3.5202   13.124   2.5714 -3.117901 4.359324 
1 1 1  -10   49    1 o   72.221   0.9091  5096.90  105.315  5115.18  119.245  5032.09  224.532   72.561   0.8466   71.880   1.6092 0.6812439 1.818282 
1 1 1  -10   49    2 o   8.9771   2.3116   24.511   44.407  -1.5936   49.027  143.757  104.784   5.7734   2.4673   12.181   3.9098 -6.407223 4.623183 
1 1 1  -10   49    3 o   74.735   0.8933  5414.73  108.345  5400.03  123.058  5465.41  228.501   74.554   0.8503   74.916   1.5712 -0.3625793 1.786573 
1 1 1  -10   49    4 o   59.223   0.8406  3415.23   77.992  3418.33   87.488  3403.26  172.134   59.322   0.7597   59.124   1.4998 0.1981888 1.681258 
1 1 1  -10   49    5 o   28.073   0.8750  765.760   47.685  765.760   47.685   0.0000   0.0000   28.073   0.8750  ?   ?       ?      ? 
1 1 1  -10   49    6 o   38.477   0.7296  1438.09   54.497  1438.09   54.497   0.0000   0.0000   38.477   0.7296  ?   ?       ?      ? 
1 1 1  -10   49    7 o   37.828   0.7335  1390.10   53.865  1390.10   53.865   0.0000   0.0000   37.828   0.7335  ?   ?       ?      ? 
1 1 1  -10   49    8 o   3.3267   1.6463 -91.0802   39.457 -91.0802   39.457   0.0000   0.0000   3.3267   1.6463  ?   ?       ?      ? 
1 1 1  -10   49    9 o   8.2933   2.2508   69.632   37.162   69.632   37.162   0.0000   0.0000   8.2933   2.2508  ?   ?       ?      ? 
1 1 1  -10   49   10 o   45.887   0.6552  2045.58   58.362  2045.58   58.362   0.0000   0.0000   45.887   0.6552  ?   ?       ?      ? 
1 1 1  -10   49   11 o   12.172   1.3464  144.394   31.811  144.394   31.811   0.0000   0.0000   12.172   1.3464  ?   ?       ?      ? 
1 1 1  -10   49   12 o   33.409   0.6705  1084.59   43.484  1084.59   43.484   0.0000   0.0000   33.409   0.6705  ?   ?       ?      ? 
1 1 1  -10   49   13 o   29.565   0.6356  849.397   36.479  849.397   36.479   0.0000   0.0000   29.565   0.6356  ?   ?       ?      ? 
1 1 1  -10   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   49   15 o   18.827   1.1357  345.664   41.506  345.664   41.506   0.0000   0.0000   18.827   1.1357  ?   ?       ?      ? 
1 1 1  -10   49   16 o   26.924   0.9963  706.774   52.070  706.774   52.070   0.0000   0.0000   26.924   0.9963  ?   ?       ?      ? 
1 1 1  -10   49   17 o   33.213   0.8886  1075.20   57.292  1075.20   57.292   0.0000   0.0000   33.213   0.8886  ?   ?       ?      ? 
1 1 1  -10   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   49   19 o   6.5224   1.7045   30.662   31.779 -29.9194   56.508   58.685   38.432   5.4189   2.4625   7.6260   2.3573 -2.207095 3.408919 
1 1 1  -10   49   20 o   11.289   1.7287  135.641   36.691  114.414   58.541  149.376   47.088   10.360   2.8305   12.218   1.9854 -1.857668 3.457416 
1 1 1  -10   49   21 o   7.6772   1.9110   49.503   39.510  -6.1793   61.070   89.588   51.816   6.1502   2.6904   9.2043   2.7146 -3.054031 3.821988 
1 1 1  -10   49   22 o   10.492   2.2000  117.868   46.168  126.854   80.103  113.399   56.495   10.752   3.4150   10.233   2.7744 0.5190430 4.399953 
1 1 1  -10   49   23 o   24.906   1.4338  617.041   69.321   0.0000   0.0000  617.041   69.321  ?   ?    24.906   1.4338      ?      ? 
1 1 1  -10   50    1 o   75.415   0.9160  5515.90  111.108  5501.04  125.747  5568.81  237.275   75.240   0.8610   75.590   1.6170 -0.3501587 1.831958 
1 1 1  -10   50    2 o   28.806   1.2339  766.993   49.598  749.468   53.597  871.450  130.852   27.766   0.9944   29.845   2.2587 -2.078028 2.467864 
1 1 1  -10   50    3 o   22.090   1.5999  480.933   46.303  482.189   49.725  472.738  127.018   22.265   1.1505   21.914   2.9859 0.3515034 3.199883 
1 1 1  -10   50    4 o   20.197   1.7345  405.339   43.918  407.102   46.844  392.532  126.253   20.457   1.1796   19.936   3.2624 0.5203667 3.469078 
1 1 1  -10   50    5 o   42.176   0.7313  1728.11   59.872  1728.11   59.872   0.0000   0.0000   42.176   0.7313  ?   ?       ?      ? 
1 1 1  -10   50    6 o   21.697   1.0344  457.818   43.566  457.818   43.566   0.0000   0.0000   21.697   1.0344  ?   ?       ?      ? 
1 1 1  -10   50    7 o   75.006   0.8342  5467.96  121.466  5467.96  121.466   0.0000   0.0000   75.006   0.8342  ?   ?       ?      ? 
1 1 1  -10   50    8 o   67.778   0.7800  4464.36  102.622  4464.36  102.622   0.0000   0.0000   67.778   0.7800  ?   ?       ?      ? 
1 1 1  -10   50    9 o   47.838   0.6780  2223.47   62.958  2223.47   62.958   0.0000   0.0000   47.838   0.6780  ?   ?       ?      ? 
1 1 1  -10   50   10 o   14.403   1.3135  202.195   36.724  202.195   36.724   0.0000   0.0000   14.403   1.3135  ?   ?       ?      ? 
1 1 1  -10   50   11 o   21.742   0.8609  459.702   36.334  459.702   36.334   0.0000   0.0000   21.742   0.8609  ?   ?       ?      ? 
1 1 1  -10   50   12 f   13.527   1.3309  178.533   34.947  178.533   34.947   0.0000   0.0000   13.527   1.3309  ?   ?       ?      ? 
1 1 1  -10   50   13 o   16.365   1.0244  260.814   32.543  260.814   32.543   0.0000   0.0000   16.365   1.0244  ?   ?       ?      ? 
1 1 1  -10   50   14 o   24.778   1.0213  598.160   49.122  598.160   49.122   0.0000   0.0000   24.778   1.0213  ?   ?       ?      ? 
1 1 1  -10   50   15 o   29.876   0.9090  869.533   52.718  869.533   52.718   0.0000   0.0000   29.876   0.9090  ?   ?       ?      ? 
1 1 1  -10   50   16 o   16.467   1.4402  266.062   46.039  266.062   46.039   0.0000   0.0000   16.467   1.4402  ?   ?       ?      ? 
1 1 1  -10   50   17 o   21.191   1.3087  440.429   53.833  440.429   53.833   0.0000   0.0000   21.191   1.3087  ?   ?       ?      ? 
1 1 1  -10   50   18 o   17.875   1.6171  315.331   56.112  315.331   56.112   0.0000   0.0000   17.875   1.6171  ?   ?       ?      ? 
1 1 1  -10   50   19 o   14.427   1.7880  206.885   50.074  206.885   50.074   0.0000   0.0000   14.427   1.7880  ?   ?       ?      ? 
1 1 1  -10   50   20 o   9.9731   1.8391   99.914   36.172  144.721   57.395   70.390   46.590   11.669   2.6004   8.2775   2.6015 3.391171 3.678282 
1 1 1  -10   50   21 o   8.2179   1.9882   62.592   38.937   93.948   58.703   37.961   52.030   9.4050   2.9144   7.0308   2.7052 2.374199 3.976420 
1 1 1  -10   50   22 o   7.0342   2.7699   35.653   55.563   0.0000   0.0000   35.653   55.563  ?   ?    7.0342   2.7699      ?      ? 
1 1 1  -10   51    1 o   64.244   0.8628  4029.02   89.091  4038.02  100.925  3997.28  189.613   64.460   0.8066   64.029   1.5255 0.4309158 1.725644 
1 1 1  -10   51    2 o   59.788   0.8475  3506.55   81.360  3528.27   92.224  3430.30  172.778   60.256   0.7885   59.320   1.5005 0.9364853 1.695010 
1 1 1  -10   51    3 o   44.259   0.8753  1902.57   59.615  1899.75   66.441  1914.20  135.027   44.215   0.7741   44.302   1.5701 -0.8650589E-01 1.750581 
1 1 1  -10   51    4 o   70.806   0.8498  4813.48   98.666  4756.71  112.314  5005.42  206.514   69.958   0.8271   71.654   1.4847 -1.696068 1.699531 
1 1 1  -10   51    5 o   14.472   1.5892  204.346   44.647  204.346   44.647   0.0000   0.0000   14.472   1.5892  ?   ?       ?      ? 
1 1 1  -10   51    6 f   28.213   0.8703  773.817   47.662  773.817   47.662   0.0000   0.0000   28.213   0.8703  ?   ?       ?      ? 
1 1 1  -10   51    7 o   22.361   1.1747  486.815   50.992  486.815   50.992   0.0000   0.0000   22.361   1.1747  ?   ?       ?      ? 
1 1 1  -10   51    8 o   26.260   0.8743  670.517   44.567  670.517   44.567   0.0000   0.0000   26.260   0.8743  ?   ?       ?      ? 
1 1 1  -10   51    9 o   52.384   0.7024  2666.73   71.426  2666.73   71.426   0.0000   0.0000   52.384   0.7024  ?   ?       ?      ? 
1 1 1  -10   51   10 o   60.490   0.7412  3556.97   87.039  3556.97   87.039   0.0000   0.0000   60.490   0.7412  ?   ?       ?      ? 
1 1 1  -10   51   11 o   17.945   1.0616  313.636   36.980  313.636   36.980   0.0000   0.0000   17.945   1.0616  ?   ?       ?      ? 
1 1 1  -10   51   12 o   14.368   1.2531  201.401   34.950  201.401   34.950   0.0000   0.0000   14.368   1.2531  ?   ?       ?      ? 
1 1 1  -10   51   13 o   33.536   0.6791  1093.50   44.211  1093.50   44.211   0.0000   0.0000   33.536   0.6791  ?   ?       ?      ? 
1 1 1  -10   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   51   15 f   22.952   1.1338  514.734   50.517  514.734   50.517   0.0000   0.0000   22.952   1.1338  ?   ?       ?      ? 
1 1 1  -10   51   16 o   15.001   1.6555  222.034   48.207  222.034   48.207   0.0000   0.0000   15.001   1.6555  ?   ?       ?      ? 
1 1 1  -10   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   51   18 o   16.886   1.7470  282.895   57.265  282.895   57.265   0.0000   0.0000   16.886   1.7470  ?   ?       ?      ? 
1 1 1  -10   51   19 o   7.7144   2.8885   49.936   58.362   49.936   58.362   0.0000   0.0000   7.7144   2.8885  ?   ?       ?      ? 
1 1 1  -10   51   20 o   7.2473   1.9510   41.826   37.346   42.174   59.937   41.605   47.749   7.4669   2.8950   7.0276   2.6163 0.4392695 3.902060 
1 1 1  -10   51   21 o   6.5128   2.6252   24.849   51.083   0.0000   0.0000   24.849   51.083  ?   ?    6.5128   2.6252      ?      ? 
1 1 1  -10   51   22 o   19.849   1.5264  393.299   58.811   0.0000   0.0000  393.299   58.811  ?   ?    19.849   1.5264      ?      ? 
1 1 1  -10   52    1 o   18.111   2.0289  337.798   46.873  340.857   50.499  318.760  125.973   18.700   1.3912   17.523   3.8119 1.177053 4.057841 
1 1 1  -10   52    2 o   41.448   0.9654  1668.84   57.852  1666.12   63.350  1682.46  141.964   41.404   0.7882   41.492   1.7626 -0.8840179E-01 1.930803 
1 1 1  -10   52    3 o   23.290   1.3669  409.967   45.756  361.931   49.040  732.976  127.167   19.274   1.3108   27.306   2.3992 -8.031958 2.733872 
1 1 1  -10   52    4 o   45.625   0.7660  2023.09   67.843  2023.09   67.843   0.0000   0.0000   45.625   0.7660  ?   ?       ?      ? 
1 1 1  -10   52    5 o   15.951   1.5405  248.317   47.699  248.317   47.699   0.0000   0.0000   15.951   1.5405  ?   ?       ?      ? 
1 1 1  -10   52    6 o   35.786   0.7994  1244.94   55.530  1244.94   55.530   0.0000   0.0000   35.786   0.7994  ?   ?       ?      ? 
1 1 1  -10   52    7 o   50.582   0.7335  2486.74   72.023  2486.74   72.023   0.0000   0.0000   50.582   0.7335  ?   ?       ?      ? 
1 1 1  -10   52    8 o   13.161   1.5720  169.261   40.160  169.261   40.160   0.0000   0.0000   13.161   1.5720  ?   ?       ?      ? 
1 1 1  -10   52    9 o   6.6962   2.3782   38.420   38.809   38.420   38.809   0.0000   0.0000   6.6962   2.3782  ?   ?       ?      ? 
1 1 1  -10   52   10 o   31.686   0.7496  976.243   46.109  976.243   46.109   0.0000   0.0000   31.686   0.7496  ?   ?       ?      ? 
1 1 1  -10   52   11 o   22.122   0.8943  476.312   38.402  476.312   38.402   0.0000   0.0000   22.122   0.8943  ?   ?       ?      ? 
1 1 1  -10   52   12 o   14.357   1.3320  201.453   37.123  201.453   37.123   0.0000   0.0000   14.357   1.3320  ?   ?       ?      ? 
1 1 1  -10   52   13 o   12.400   1.5155  150.804   36.477  150.804   36.477   0.0000   0.0000   12.400   1.5155  ?   ?       ?      ? 
1 1 1  -10   52   14 o   16.437   1.5753  265.629   50.264  265.629   50.264   0.0000   0.0000   16.437   1.5753  ?   ?       ?      ? 
1 1 1  -10   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   52   16 o   6.9916   2.6893   35.147   51.407   35.147   51.407   0.0000   0.0000   6.9916   2.6893  ?   ?       ?      ? 
1 1 1  -10   52   17 o   19.757   1.4366  384.438   55.096  384.438   55.096   0.0000   0.0000   19.757   1.4366  ?   ?       ?      ? 
1 1 1  -10   52   18 o   5.1971   2.3691 -29.1920   52.828 -29.1920   52.828   0.0000   0.0000   5.1971   2.3691  ?   ?       ?      ? 
1 1 1  -10   52   19 o   12.503   2.4457  164.690   57.234  164.690   57.234   0.0000   0.0000   12.503   2.4457  ?   ?       ?      ? 
1 1 1  -10   52   20 o   22.104   1.0786  470.144   41.864  522.478   79.884  450.330   49.154   22.822   1.8032   21.386   1.1840 1.435907 2.157187 
1 1 1  -10   52   21 o   10.959   2.4454  129.172   50.700   0.0000   0.0000  129.172   50.700  ?   ?    10.959   2.4454      ?      ? 
1 1 1  -10   53    1 o   15.073   1.9032  188.521   45.824  159.131   51.033  310.825  104.105   12.734   2.0645   17.412   3.1980 -4.677348 3.806447 
1 1 1  -10   53    2 o   33.967   0.9697  1054.61   51.193  1010.96   56.731  1246.05  118.797   32.240   0.9065   35.695   1.7145 -3.455620 1.939376 
1 1 1  -10   53    3 o   63.531   0.8492  3833.20   86.001  3761.25   96.632  4107.33  188.609   62.199   0.8003   64.863   1.4980 -2.663445 1.698363 
1 1 1  -10   53    4 o   49.592   0.7606  2390.75   73.225  2390.75   73.225   0.0000   0.0000   49.592   0.7606  ?   ?       ?      ? 
1 1 1  -10   53    5 o   34.505   0.8236  1157.74   55.165  1157.74   55.165   0.0000   0.0000   34.505   0.8236  ?   ?       ?      ? 
1 1 1  -10   53    6 o   42.387   0.7410  1746.56   60.966  1746.56   60.966   0.0000   0.0000   42.387   0.7410  ?   ?       ?      ? 
1 1 1  -10   53    7 o   44.434   0.7211  1919.29   62.199  1919.29   62.199   0.0000   0.0000   44.434   0.7211  ?   ?       ?      ? 
1 1 1  -10   53    8 o   28.702   0.8201  801.278   45.690  801.278   45.690   0.0000   0.0000   28.702   0.8201  ?   ?       ?      ? 
1 1 1  -10   53    9 o   21.482   1.0104  449.426   42.135  449.426   42.135   0.0000   0.0000   21.482   1.0104  ?   ?       ?      ? 
1 1 1  -10   53   10 o   29.300   0.7988  835.173   45.431  835.173   45.431   0.0000   0.0000   29.300   0.7988  ?   ?       ?      ? 
1 1 1  -10   53   11 o   17.500   1.1630  298.882   39.508  298.882   39.508   0.0000   0.0000   17.500   1.1630  ?   ?       ?      ? 
1 1 1  -10   53   12 o   19.290   1.0220  362.953   38.269  362.953   38.269   0.0000   0.0000   19.290   1.0220  ?   ?       ?      ? 
1 1 1  -10   53   13 o   17.928   1.2072  314.396   42.014  314.396   42.014   0.0000   0.0000   17.928   1.2072  ?   ?       ?      ? 
1 1 1  -10   53   14 o   14.194   1.9041  199.871   52.465  199.871   52.465   0.0000   0.0000   14.194   1.9041  ?   ?       ?      ? 
1 1 1  -10   53   15 o   8.0026   2.7582   60.429   51.956   60.429   51.956   0.0000   0.0000   8.0026   2.7582  ?   ?       ?      ? 
1 1 1  -10   53   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   53   17 o   7.2467   2.7906   39.278   55.403   39.278   55.403   0.0000   0.0000   7.2467   2.7906  ?   ?       ?      ? 
1 1 1  -10   53   18 o   13.852   2.1477  193.893   57.751  193.893   57.751   0.0000   0.0000   13.852   2.1477  ?   ?       ?      ? 
1 1 1  -10   53   19 o   16.546   1.8596  274.904   59.731  274.904   59.731   0.0000   0.0000   16.546   1.8596  ?   ?       ?      ? 
1 1 1  -10   53   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   54    1 o   39.042   1.0076  1545.97   57.913  1578.69   64.104  1400.70  135.073   40.289   0.8196   37.795   1.8411 2.494244 2.015277 
1 1 1  -10   54    2 f   42.247   0.9660  1765.47   57.940  1776.69   63.303  1707.59  143.837   42.747   0.7629   41.746   1.7750 1.001007 1.931965 
1 1 1  -10   54    3 o   37.614   1.0502  1422.76   54.653  1440.75   59.471  1325.04  138.619   38.491   0.7959   36.738   1.9438 1.753201 2.100421 
1 1 1  -10   54    4 o   4.4620   2.0960 -48.1243   46.240 -48.1243   46.240   0.0000   0.0000   4.4620   2.0960  ?   ?       ?      ? 
1 1 1  -10   54    5 o   53.240   0.7463  2755.98   77.125  2755.98   77.125   0.0000   0.0000   53.240   0.7463  ?   ?       ?      ? 
1 1 1  -10   54    6 o   38.977   0.7677  1477.38   58.086  1477.38   58.086   0.0000   0.0000   38.977   0.7677  ?   ?       ?      ? 
1 1 1  -10   54    7 o   21.216   1.0828  438.608   44.594  438.608   44.594   0.0000   0.0000   21.216   1.0828  ?   ?       ?      ? 
1 1 1  -10   54    8 o   14.400   1.4399  202.752   40.248  202.752   40.248   0.0000   0.0000   14.400   1.4399  ?   ?       ?      ? 
1 1 1  -10   54    9 o   19.413   1.1289  367.606   42.542  367.606   42.542   0.0000   0.0000   19.413   1.1289  ?   ?       ?      ? 
1 1 1  -10   54   10 o   42.542   0.8666  1762.45   71.567  1762.45   71.567   0.0000   0.0000   42.542   0.8666  ?   ?       ?      ? 
1 1 1  -10   54   11 o   14.752   1.3500  213.126   38.659  213.126   38.659   0.0000   0.0000   14.752   1.3500  ?   ?       ?      ? 
1 1 1  -10   54   12 o   4.1848   1.9384 -30.4894   37.377 -30.4894   37.377   0.0000   0.0000   4.1848   1.9384  ?   ?       ?      ? 
1 1 1  -10   54   13 o   22.636   1.3061  502.549   57.390  502.549   57.390   0.0000   0.0000   22.636   1.3061  ?   ?       ?      ? 
1 1 1  -10   54   14 o   18.900   1.4848  351.526   54.474  351.526   54.474   0.0000   0.0000   18.900   1.4848  ?   ?       ?      ? 
1 1 1  -10   54   15 o   15.510   1.8698  239.237   56.297  239.237   56.297   0.0000   0.0000   15.510   1.8698  ?   ?       ?      ? 
1 1 1  -10   54   16 o   11.094   2.5703  130.314   54.268  130.314   54.268   0.0000   0.0000   11.094   2.5703  ?   ?       ?      ? 
1 1 1  -10   54   17 o   15.280   1.7957  233.066   53.263  233.066   53.263   0.0000   0.0000   15.280   1.7957  ?   ?       ?      ? 
1 1 1  -10   54   18 o   7.7558   2.8830   52.669   57.935   52.669   57.935   0.0000   0.0000   7.7558   2.8830  ?   ?       ?      ? 
1 1 1  -10   54   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   55    1 o   17.834   1.5654  286.155   47.160  260.868   53.649  372.120   98.918   16.315   1.6940   19.353   2.6330 -3.038563 3.130883 
1 1 1  -10   55    2 o   23.164   1.3292  526.635   47.618  526.383   53.198  527.653  106.799   23.233   1.1796   23.095   2.3823 0.1386681 2.658304 
1 1 1  -10   55    3 o   9.1252   2.2345   80.397   45.105   96.103   49.998   11.739  104.536   9.6743   2.6046   8.5761   3.6317 1.098224 4.469099 
1 1 1  -10   55    4 o   8.9981   2.6184   82.132   48.495   82.132   48.495   0.0000   0.0000   8.9981   2.6184  ?   ?       ?      ? 
1 1 1  -10   55    5 o   18.030   1.3612  317.617   47.643  317.617   47.643   0.0000   0.0000   18.030   1.3612  ?   ?       ?      ? 
1 1 1  -10   55    6 o   37.081   0.7746  1337.55   55.755  1337.55   55.755   0.0000   0.0000   37.081   0.7746  ?   ?       ?      ? 
1 1 1  -10   55    7 o   26.100   0.9176  663.411   46.488  663.411   46.488   0.0000   0.0000   26.100   0.9176  ?   ?       ?      ? 
1 1 1  -10   55    8 o   31.605   0.8021  972.291   49.210  972.291   49.210   0.0000   0.0000   31.605   0.8021  ?   ?       ?      ? 
1 1 1  -10   55    9 o   4.0359   1.9213 -51.9515   41.348 -51.9515   41.348   0.0000   0.0000   4.0359   1.9213  ?   ?       ?      ? 
1 1 1  -10   55   10 o   14.096   1.5109  195.176   41.344  195.176   41.344   0.0000   0.0000   14.096   1.5109  ?   ?       ?      ? 
1 1 1  -10   55   11 o   22.089   0.9809  476.243   42.059  476.243   42.059   0.0000   0.0000   22.089   0.9809  ?   ?       ?      ? 
1 1 1  -10   55   12 o   20.379   1.0506  405.849   41.562  405.849   41.562   0.0000   0.0000   20.379   1.0506  ?   ?       ?      ? 
1 1 1  -10   55   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   55   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   55   15 o   16.897   1.7103  283.581   56.099  283.581   56.099   0.0000   0.0000   16.897   1.7103  ?   ?       ?      ? 
1 1 1  -10   55   16 o   5.8869   2.5438  -0.9144   53.217  -0.9144   53.217   0.0000   0.0000   5.8869   2.5438  ?   ?       ?      ? 
1 1 1  -10   55   17 o   6.5890   2.7316   17.793   57.260   17.793   57.260   0.0000   0.0000   6.5890   2.7316  ?   ?       ?      ? 
1 1 1  -10   55   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   55   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   56    1 o   11.993   2.4189   94.610   48.877   60.538   53.418  269.837  121.141   8.1094   2.7967   15.877   3.9475 -7.767267 4.837739 
1 1 1  -10   56    2 o   34.202   1.1150  1192.70   55.535  1217.91   61.312  1077.50  131.055   35.366   0.8931   33.039   2.0435 2.327282 2.230096 
1 1 1  -10   56    3 o   30.011   1.1059  894.480   52.323  903.001   58.985  863.018  113.339   30.439   0.9983   29.582   1.9737 0.8574848 2.211832 
1 1 1  -10   56    4 o   17.545   1.4356  301.378   48.891  301.378   48.891   0.0000   0.0000   17.545   1.4356  ?   ?       ?      ? 
1 1 1  -10   56    5 o   21.159   1.2113  437.356   49.751  437.356   49.751   0.0000   0.0000   21.159   1.2113  ?   ?       ?      ? 
1 1 1  -10   56    6 o   32.536   0.8699  1031.12   54.939  1031.12   54.939   0.0000   0.0000   32.536   0.8699  ?   ?       ?      ? 
1 1 1  -10   56    7 o   17.752   1.3566  308.636   46.747  308.636   46.747   0.0000   0.0000   17.752   1.3566  ?   ?       ?      ? 
1 1 1  -10   56    8 o   14.214   1.5866  198.676   43.777  198.676   43.777   0.0000   0.0000   14.214   1.5866  ?   ?       ?      ? 
1 1 1  -10   56    9 o   27.027   0.8907  712.158   46.730  712.158   46.730   0.0000   0.0000   27.027   0.8907  ?   ?       ?      ? 
1 1 1  -10   56   10 o   6.5269   2.4395   33.438   41.591   33.438   41.591   0.0000   0.0000   6.5269   2.4395  ?   ?       ?      ? 
1 1 1  -10   56   11 o   15.796   1.3911  245.093   42.654  245.093   42.654   0.0000   0.0000   15.796   1.3911  ?   ?       ?      ? 
1 1 1  -10   56   12 o   18.714   1.1428  342.834   41.516  342.834   41.516   0.0000   0.0000   18.714   1.1428  ?   ?       ?      ? 
1 1 1  -10   56   13 o   23.203   1.1759  527.798   52.963  527.798   52.963   0.0000   0.0000   23.203   1.1759  ?   ?       ?      ? 
1 1 1  -10   56   14 f   13.358   2.0718  179.183   53.721  179.183   53.721   0.0000   0.0000   13.358   2.0718  ?   ?       ?      ? 
1 1 1  -10   56   15 o   12.557   2.3286  164.763   54.671  164.763   54.671   0.0000   0.0000   12.557   2.3286  ?   ?       ?      ? 
1 1 1  -10   56   16 o   7.0131   2.7305   35.837   53.491   35.837   53.491   0.0000   0.0000   7.0131   2.7305  ?   ?       ?      ? 
1 1 1  -10   56   17 o   8.1063   3.4735   19.712   97.630   19.712   97.630   0.0000   0.0000   8.1063   3.4735  ?   ?       ?      ? 
1 1 1  -10   56   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   57    1 o   17.141   1.9429  289.274   49.774  282.117   55.337  319.595  113.904   16.929   1.6839   17.353   3.5021 -0.4241371 3.885863 
1 1 1  -10   57    2 o   6.7204   2.0862  -1.9756   46.302   11.194   52.433 -48.6161   98.675   6.2696   2.6078   7.1712   3.2570 -0.9016027 4.172341 
1 1 1  -10   57    3 o   5.5619   2.4653 -15.5966   52.874 -15.5966   52.874   0.0000   0.0000   5.5619   2.4653  ?   ?       ?      ? 
1 1 1  -10   57    4 o   25.311   1.0898  625.598   53.547  625.598   53.547   0.0000   0.0000   25.311   1.0898  ?   ?       ?      ? 
1 1 1  -10   57    5 o   24.325   1.1140  578.046   52.602  578.046   52.602   0.0000   0.0000   24.325   1.1140  ?   ?       ?      ? 
1 1 1  -10   57    6 o   17.056   1.4734  285.712   48.781  285.712   48.781   0.0000   0.0000   17.056   1.4734  ?   ?       ?      ? 
1 1 1  -10   57    7 o   8.2224   2.5743   67.964   45.669   67.964   45.669   0.0000   0.0000   8.2224   2.5743  ?   ?       ?      ? 
1 1 1  -10   57    8 o   29.677   0.8572  858.657   49.380  858.657   49.380   0.0000   0.0000   29.677   0.8572  ?   ?       ?      ? 
1 1 1  -10   57    9 o   23.146   1.0205  523.370   45.854  523.370   45.854   0.0000   0.0000   23.146   1.0205  ?   ?       ?      ? 
1 1 1  -10   57   10 o   18.980   1.2253  352.960   45.144  352.960   45.144   0.0000   0.0000   18.980   1.2253  ?   ?       ?      ? 
1 1 1  -10   57   11 o   9.3536   2.3489   91.466   42.589   91.466   42.589   0.0000   0.0000   9.3536   2.3489  ?   ?       ?      ? 
1 1 1  -10   57   12 o   10.332   2.0770  110.490   40.210  110.490   40.210   0.0000   0.0000   10.332   2.0770  ?   ?       ?      ? 
1 1 1  -10   57   13 o   6.8465   2.6260   35.143   48.931   35.143   48.931   0.0000   0.0000   6.8465   2.6260  ?   ?       ?      ? 
1 1 1  -10   57   14 o   11.633   2.5490  143.702   55.971  143.702   55.971   0.0000   0.0000   11.633   2.5490  ?   ?       ?      ? 
1 1 1  -10   57   15 o   8.3968   2.7892   71.628   53.103   71.628   53.103   0.0000   0.0000   8.3968   2.7892  ?   ?       ?      ? 
1 1 1  -10   57   16 o   6.9602   3.2672 -84.5590  112.003 -84.5590  112.003   0.0000   0.0000   6.9602   3.2672  ?   ?       ?      ? 
1 1 1  -10   57   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   58    1 o   33.780   1.1786  1186.50   57.586  1220.21   63.624  1033.75  135.439   35.367   0.9267   32.192   2.1674 3.175121 2.357174 
1 1 1  -10   58    2 o   20.624   1.8531  474.427   51.842  496.778   57.328  374.125  121.444   22.510   1.3120   18.739   3.4663 3.771013 3.706285 
1 1 1  -10   58    3 o   24.248   1.2156  575.669   57.216  575.669   57.216   0.0000   0.0000   24.248   1.2156  ?   ?       ?      ? 
1 1 1  -10   58    4 o   9.3083   2.7182   89.785   52.182   89.785   52.182   0.0000   0.0000   9.3083   2.7182  ?   ?       ?      ? 
1 1 1  -10   58    5 o   10.388   2.4839  112.844   49.410  112.844   49.410   0.0000   0.0000   10.388   2.4839  ?   ?       ?      ? 
1 1 1  -10   58    6 o   7.7497   2.6420   57.035   47.637   57.035   47.637   0.0000   0.0000   7.7497   2.6420  ?   ?       ?      ? 
1 1 1  -10   58    7 o   23.839   1.0113  555.113   46.801  555.113   46.801   0.0000   0.0000   23.839   1.0113  ?   ?       ?      ? 
1 1 1  -10   58    8 o   15.917   1.4441  249.172   44.619  249.172   44.619   0.0000   0.0000   15.917   1.4441  ?   ?       ?      ? 
1 1 1  -10   58    9 o   6.7927   2.5609   35.859   46.028   35.859   46.028   0.0000   0.0000   6.7927   2.5609  ?   ?       ?      ? 
1 1 1  -10   58   10 o   5.6657   2.3791   7.2577   44.261   7.2577   44.261   0.0000   0.0000   5.6657   2.3791  ?   ?       ?      ? 
1 1 1  -10   58   11 f   9.7721   2.2292   99.888   41.352   99.888   41.352   0.0000   0.0000   9.7721   2.2292  ?   ?       ?      ? 
1 1 1  -10   58   12 f   6.4064   2.4492   30.704   42.477   30.704   42.477   0.0000   0.0000   6.4064   2.4492  ?   ?       ?      ? 
1 1 1  -10   58   13 o   18.474   1.3955  337.099   50.045  337.099   50.045   0.0000   0.0000   18.474   1.3955  ?   ?       ?      ? 
1 1 1  -10   58   14 o   17.307   1.7957  299.928   60.327  299.928   60.327   0.0000   0.0000   17.307   1.7957  ?   ?       ?      ? 
1 1 1  -10   58   15 o   6.6414   3.1315 -88.6269  104.941 -88.6269  104.941   0.0000   0.0000   6.6414   3.1315  ?   ?       ?      ? 
1 1 1  -10   58   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   59    1 o   24.521   1.3010  595.695   50.299  595.561   56.601  596.200  109.689   24.664   1.1822   24.378   2.3179 0.2852688 2.601980 
1 1 1  -10   59    2 o   8.1716   2.0873   57.520   46.764   94.172   53.654 -58.3240   95.387   9.5101   2.7503   6.8330   3.1405 2.677128 4.174529 
1 1 1  -10   59    3 o   10.622   2.6115  118.487   53.468  118.487   53.468   0.0000   0.0000   10.622   2.6115  ?   ?       ?      ? 
1 1 1  -10   59    4 o   10.739   2.5913  121.073   53.399  121.073   53.399   0.0000   0.0000   10.739   2.5913  ?   ?       ?      ? 
1 1 1  -10   59    5 o   10.946   2.3749  124.787   49.011  124.787   49.011   0.0000   0.0000   10.946   2.3749  ?   ?       ?      ? 
1 1 1  -10   59    6 o   10.522   2.3930  115.662   47.773  115.662   47.773   0.0000   0.0000   10.522   2.3930  ?   ?       ?      ? 
1 1 1  -10   59    7 o   20.010   1.2170  392.616   47.272  392.616   47.272   0.0000   0.0000   20.010   1.2170  ?   ?       ?      ? 
1 1 1  -10   59    8 o   14.193   1.7201  199.773   47.392  199.773   47.392   0.0000   0.0000   14.193   1.7201  ?   ?       ?      ? 
1 1 1  -10   59    9 o   5.0888   2.2705 -15.3450   45.600 -15.3450   45.600   0.0000   0.0000   5.0888   2.2705  ?   ?       ?      ? 
1 1 1  -10   59   10 o   22.532   1.0280  497.089   44.964  497.089   44.964   0.0000   0.0000   22.532   1.0280  ?   ?       ?      ? 
1 1 1  -10   59   11 o   4.7821   2.1720 -22.8740   43.894 -22.8740   43.894   0.0000   0.0000   4.7821   2.1720  ?   ?       ?      ? 
1 1 1  -10   59   12 o   6.0206   2.4028   21.374   42.336   21.374   42.336   0.0000   0.0000   6.0206   2.4028  ?   ?       ?      ? 
1 1 1  -10   59   13 o   7.5720   2.6854   54.132   49.465   54.132   49.465   0.0000   0.0000   7.5720   2.6854  ?   ?       ?      ? 
1 1 1  -10   59   14 o   12.722   3.5826  185.606   92.238  185.606   92.238   0.0000   0.0000   12.722   3.5826  ?   ?       ?      ? 
1 1 1  -10   59   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   60    1 o   24.023   1.4687  562.948   49.702  556.489   54.033  598.464  126.699   23.830   1.1681   24.216   2.6952 -0.3865299 2.937468 
1 1 1  -10   60    2 o   12.153   2.3689  150.708   49.552  146.086   55.355  169.350  111.168   11.809   2.4930   12.496   4.0288 -0.6868620 4.737727 
1 1 1  -10   60    3 o   8.2720   2.7771   67.052   52.626   67.052   52.626   0.0000   0.0000   8.2720   2.7771  ?   ?       ?      ? 
1 1 1  -10   60    4 o   7.8888   2.6970   59.716   49.641   59.716   49.641   0.0000   0.0000   7.8888   2.6970  ?   ?       ?      ? 
1 1 1  -10   60    5 f   18.143   1.4825  324.693   52.210  324.693   52.210   0.0000   0.0000   18.143   1.4825  ?   ?       ?      ? 
1 1 1  -10   60    6 o   26.052   1.0479  664.325   52.997  664.325   52.997   0.0000   0.0000   26.052   1.0479  ?   ?       ?      ? 
1 1 1  -10   60    7 o   8.1069   2.6431   65.955   47.770   65.955   47.770   0.0000   0.0000   8.1069   2.6431  ?   ?       ?      ? 
1 1 1  -10   60    8 o   7.5351   2.6262   53.618   47.164   53.618   47.164   0.0000   0.0000   7.5351   2.6262  ?   ?       ?      ? 
1 1 1  -10   60    9 o   19.550   1.2916  376.350   49.018  376.350   49.018   0.0000   0.0000   19.550   1.2916  ?   ?       ?      ? 
1 1 1  -10   60   10 o   13.641   1.7860  185.867   47.291  185.867   47.291   0.0000   0.0000   13.641   1.7860  ?   ?       ?      ? 
1 1 1  -10   60   11 o   5.7352   2.4069   8.9708   45.253   8.9708   45.253   0.0000   0.0000   5.7352   2.4069  ?   ?       ?      ? 
1 1 1  -10   60   12 o   16.033   1.4953  255.317   46.539  255.317   46.539   0.0000   0.0000   16.033   1.4953  ?   ?       ?      ? 
1 1 1  -10   60   13 o   16.129   3.5077  296.073  106.698  296.073  106.698   0.0000   0.0000   16.129   3.5077  ?   ?       ?      ? 
1 1 1  -10   60   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1  -10   61    1 o   7.5235   2.2324   25.530   49.156   35.197   55.732  -8.3294  104.308   7.1156   2.7824   7.9314   3.4917 -0.8158784 4.464732 
1 1 1  -10   61    2 o   27.667   1.1294  750.599   60.653  750.599   60.653   0.0000   0.0000   27.667   1.1294  ?   ?       ?      ? 
1 1 1  -10   61    3 o   7.8859   2.8735   55.471   57.082   55.471   57.082   0.0000   0.0000   7.8859   2.8735  ?   ?       ?      ? 
1 1 1  -10   61    4 o   5.2062   2.3775 -30.5350   53.500 -30.5350   53.500   0.0000   0.0000   5.2062   2.3775  ?   ?       ?      ? 
1 1 1  -10   61    5 o   20.634   1.4098  420.126   56.468  420.126   56.468   0.0000   0.0000   20.634   1.4098  ?   ?       ?      ? 
1 1 1  -10   61    6 o   6.7739   2.6331   32.595   49.683   32.595   49.683   0.0000   0.0000   6.7739   2.6331  ?   ?       ?      ? 
1 1 1  -10   61    7 f   6.9080   2.6204   37.694   48.384   37.694   48.384   0.0000   0.0000   6.9080   2.6204  ?   ?       ?      ? 
1 1 1  -10   61    8 o   7.2108   2.6105   46.616   47.000   46.616   47.000   0.0000   0.0000   7.2108   2.6105  ?   ?       ?      ? 
1 1 1  -10   61    9 o   18.376   1.4189  334.120   50.614  334.120   50.614   0.0000   0.0000   18.376   1.4189  ?   ?       ?      ? 
1 1 1  -10   61   10 o   5.2289   2.3127 -10.2330   46.285 -10.2330   46.285   0.0000   0.0000   5.2289   2.3127  ?   ?       ?      ? 
1 1 1  -10   61   11 f   14.066   1.6953  198.115   46.291  198.115   46.291   0.0000   0.0000   14.066   1.6953  ?   ?       ?      ? 
1 1 1  -10   61   12 o   7.6307   3.4788 -35.8266  113.944 -35.8266  113.944   0.0000   0.0000   7.6307   3.4788  ?   ?       ?      ? 
1 1 1  -10   62    1 o   9.9611   2.5930   79.678   54.181   66.113   60.033  139.260  125.818   8.3325   2.9580   11.590   4.2596 -3.257078 5.185903 
1 1 1  -10   62    2 o   8.9379   2.9336   82.038   58.809   82.038   58.809   0.0000   0.0000   8.9379   2.9336  ?   ?       ?      ? 
1 1 1  -10   62    3 o   20.356   1.5251  410.653   60.264  410.653   60.264   0.0000   0.0000   20.356   1.5251  ?   ?       ?      ? 
1 1 1  -10   62    4 o   13.054   2.3909  178.629   58.351  178.629   58.351   0.0000   0.0000   13.054   2.3909  ?   ?       ?      ? 
1 1 1  -10   62    5 o   8.1251   2.8248   64.154   54.551   64.154   54.551   0.0000   0.0000   8.1251   2.8248  ?   ?       ?      ? 
1 1 1  -10   62    6 o   7.6788   2.7524   54.711   52.096   54.711   52.096   0.0000   0.0000   7.6788   2.7524  ?   ?       ?      ? 
1 1 1  -10   62    7 o   14.001   1.8311  196.565   49.766  196.565   49.766   0.0000   0.0000   14.001   1.8311  ?   ?       ?      ? 
1 1 1  -10   62    8 o   7.9065   2.7219   61.628   50.590   61.628   50.590   0.0000   0.0000   7.9065   2.7219  ?   ?       ?      ? 
1 1 1  -10   62    9 o   5.0898   2.3189 -26.0138   50.525 -26.0138   50.525   0.0000   0.0000   5.0898   2.3189  ?   ?       ?      ? 
1 1 1  -10   62   10 o   6.0228   2.5132   13.317   48.921   13.317   48.921   0.0000   0.0000   6.0228   2.5132  ?   ?       ?      ? 
1 1 1  -10   62   11 o   14.271   4.1297  247.609  120.937  247.609  120.937   0.0000   0.0000   14.271   4.1297  ?   ?       ?      ? 
1 1 1  -10   63    1 o   5.2504   1.7579 -76.5809   48.988 -26.1295   58.482 -195.2415   89.689   5.5461   2.5144   4.9546   2.4573 0.5915446 3.515758 
1 1 1  -10   63    2 o   16.438   1.8784  271.546   59.937  271.546   59.937   0.0000   0.0000   16.438   1.8784  ?   ?       ?      ? 
1 1 1  -10   63    3 o   7.1785   2.8612   33.957   59.960   33.957   59.960   0.0000   0.0000   7.1785   2.8612  ?   ?       ?      ? 
1 1 1  -10   63    4 o   10.769   2.6787  125.237   55.768  125.237   55.768   0.0000   0.0000   10.769   2.6787  ?   ?       ?      ? 
1 1 1  -10   63    5 o   11.511   2.3785  140.508   51.388  140.508   51.388   0.0000   0.0000   11.511   2.3785  ?   ?       ?      ? 
1 1 1  -10   63    6 o   19.374   1.4211  372.255   53.444  372.255   53.444   0.0000   0.0000   19.374   1.4211  ?   ?       ?      ? 
1 1 1  -10   63    7 o   7.5732   2.6851   54.933   49.453   54.933   49.453   0.0000   0.0000   7.5732   2.6851  ?   ?       ?      ? 
1 1 1  -10   63    8 o   18.874   1.5012  355.008   55.001  355.008   55.001   0.0000   0.0000   18.874   1.5012  ?   ?       ?      ? 
1 1 1  -10   63    9 o   17.657   1.5073  310.984   51.661  310.984   51.661   0.0000   0.0000   17.657   1.5073  ?   ?       ?      ? 
1 1 1  -10   64    1 o   7.2649   2.8181   41.254   56.818   41.254   56.818   0.0000   0.0000   7.2649   2.8181  ?   ?       ?      ? 
1 1 1  -10   64    2 o   10.615   2.7500  123.176   57.123  123.176   57.123   0.0000   0.0000   10.615   2.7500  ?   ?       ?      ? 
1 1 1  -10   64    3 f   16.763   1.8132  283.179   59.004  283.179   59.004   0.0000   0.0000   16.763   1.8132  ?   ?       ?      ? 
1 1 1  -10   64    4 o   15.927   1.8194  255.841   56.253  255.841   56.253   0.0000   0.0000   15.927   1.8194  ?   ?       ?      ? 
1 1 1  -10   64    5 o   5.6542   2.4863  -6.5808   52.756  -6.5808   52.756   0.0000   0.0000   5.6542   2.4863  ?   ?       ?      ? 
1 1 1  -10   64    6 o   5.5842   2.4776 -10.9525   53.524 -10.9525   53.524   0.0000   0.0000   5.5842   2.4776  ?   ?       ?      ? 
1 1 1   -9    0    1 o  203.654   1.7244 40265.72  681.305 39594.24  949.894 40977.13  977.729  201.906   2.4244  205.401   2.4530 -0.000000 0.000000 
1 1 1   -9    0    2 o  153.440   1.4756 22864.01  439.267 23325.03  625.808 22416.28  616.726  154.965   2.0812  151.914   2.0923 -0.000000 0.000000 
1 1 1   -9    0    3 o   55.416   0.7007  2981.33   75.285  3097.43  108.055  2871.81  104.950   56.464   0.9865   54.367   0.9952 -0.000000 0.000000 
1 1 1   -9    0    4 o   70.857   0.8234  4875.79  113.122  4837.08  156.960  4917.63  163.178   70.565   1.1465   71.149   1.1822 -0.000000 0.000000 
1 1 1   -9    0    5 o  165.704   1.5309 26669.33  492.216 26816.64  694.892 26520.99  697.312  166.164   2.1552  165.244   2.1747 -0.000000 0.000000 
1 1 1   -9    0    6 o   66.808   0.8262  4336.27  107.068  4351.59  151.239  4320.89  151.596   66.927   1.1649   66.690   1.1718 -0.000000 0.000000 
1 1 1   -9    0    7 o   38.185   0.5915  1411.49   43.674  1343.30   59.161  1493.18   64.746   37.175   0.8207   39.195   0.8519 -0.000000 0.000000 
1 1 1   -9    0    8 o  108.778   1.9932 11394.29  313.700 11336.36  343.437 11686.04  770.707  108.032   1.6385  109.524   3.6341 -0.000000 0.000000 
1 1 1   -9    0    9 o   97.750   2.1628  9379.17  280.154  9407.38  301.631  9202.00  755.978   98.408   1.5799   97.092   4.0268 -0.000000 0.000000 
1 1 1   -9    0   10 o  234.209   2.3093 52800.95  982.503 51917.57  1190.54 54687.26  1739.71  231.204   2.6535  237.214   3.7802 -0.000000 0.000000 
1 1 1   -9    0   11 f  334.499   2.5799 108613.40  1636.95 108309.90  2102.21 109080.90  2609.03  333.936   3.2437  335.061   4.0126 -0.000000 0.000000 
1 1 1   -9    0   12 o  150.131   2.7235 21928.73  792.073 21763.60  1100.04 22106.51  1141.43  149.549   3.7948  150.713   3.9074 -0.000000 0.000000 
1 1 1   -9    0   13 o   86.526   2.9364  7324.39  490.367  7390.58  684.768  7254.73  702.542   86.942   4.0778   86.110   4.2261 -0.000000 0.000000 
1 1 1   -9    0   14 o   15.837   6.4591  301.098  321.556  361.143  450.814  238.911  458.789   16.600   9.3015   15.075   8.9646 -0.000000 0.000000 
1 1 1   -9    0   15 o   28.502   6.6438  1015.13  400.288  373.150  553.096  1721.21  580.052   17.503   10.097   39.501   8.6383 -0.000000 0.000000 
1 1 1   -9    0   16 o   98.857   2.3952  9283.98  272.787  9224.85  286.912  9840.55  880.253   97.443   1.5176  100.272   4.5436 -0.000000 0.000000 
1 1 1   -9    0   17 o  160.400   2.3546 25158.73  572.462 25233.40  635.982 24839.93  1314.09  161.161   2.0336  159.638   4.2474 -0.000000 0.000000 
1 1 1   -9    0   18 o  129.519   2.4485 16635.16  442.357 16766.93  481.785 15927.57  1116.48  131.360   1.8903  127.678   4.5176 -0.000000 0.000000 
1 1 1   -9    0   19 o  143.636   2.4973 19830.61  500.940 19708.39  543.749 20516.40  1288.02  142.402   1.9679  144.869   4.5906 -0.000000 0.000000 
1 1 1   -9    0   20 o   37.777   6.5536  2428.04  125.523  2463.58  127.014  940.932  821.633   50.321   1.3023   25.234   13.042 -0.000000 0.000000 
1 1 1   -9    0   21 o  109.643   2.8750 11666.47  353.558 11644.14  371.178 11885.12  1161.32  109.447   1.7481  109.839   5.4778 -0.000000 0.000000 
1 1 1   -9    0   22 o   31.419   6.1467  1172.72  110.313  1173.62  111.766  1138.77  686.194   34.638   1.6711   28.199   12.179 -0.000000 0.000000 
1 1 1   -9    0   23 o   68.440   3.7248  4846.89  192.231  4864.34  196.674  4473.70  909.490   70.725   1.4339   66.155   7.3102 -0.000000 0.000000 
1 1 1   -9    0   24 o   30.493   7.6982  548.783  105.243  534.547  105.739  2054.14  1087.32   23.069   2.4224   37.916   15.205 -0.000000 0.000000 
1 1 1   -9    0   25 o   64.178   4.4906  3888.02  177.101  3870.77  179.604  4494.37  1064.56   63.069   1.4688   65.288   8.8602 -0.000000 0.000000 
1 1 1   -9    0   26 o   35.413   8.1134  1765.17  132.387  1769.71  132.987  1265.42  1394.97   42.578   1.6143   28.247   16.146 -0.000000 0.000000 
1 1 1   -9    0   27 o   76.582   4.8840  5900.24  238.363  5894.31  242.189  6083.49  1346.32   77.813   1.6049   75.351   9.6352 -0.000000 0.000000 
1 1 1   -9    0   28 o   8.7555   4.7790  107.293  115.495  107.293  115.495   0.0000   0.0000   8.7555   4.7790   8.7555   4.7790 -0.000000 0.000000 
1 1 1   -9    0   29 o  131.626   2.3790 16954.35  607.405 16954.35  607.405   0.0000   0.0000  131.626   2.3790  131.626   2.3790 -0.000000 0.000000 
1 1 1   -9    0   30 o   4.5853   3.2437 -143.8775  118.322 -143.8775  118.322   0.0000   0.0000   4.5853   3.2437   4.5853   3.2437 -0.000000 0.000000 
1 1 1   -9    0   31 o   51.504   1.6849  2601.01  168.046  2601.01  168.046   0.0000   0.0000   51.504   1.6849   51.504   1.6849 -0.000000 0.000000 
1 1 1   -9    0   32 o   34.287   2.2822  1174.28  150.352  1174.28  150.352   0.0000   0.0000   34.287   2.2822   34.287   2.2822 -0.000000 0.000000 
1 1 1   -9    0   33 o   23.930   3.3130  608.958  145.481  608.958  145.481   0.0000   0.0000   23.930   3.3130   23.930   3.3130 -0.000000 0.000000 
1 1 1   -9    0   34 o   15.428   5.3987  330.157  146.407  330.157  146.407   0.0000   0.0000   15.428   5.3987   15.428   5.3987 -0.000000 0.000000 
1 1 1   -9    1    1 o  440.038   1.9951 188059.50  1704.08 189004.20  2423.69 187135.91  2396.41  441.130   2.8304  438.946   2.8124 2.183777 3.990106 
1 1 1   -9    1    2 o   91.238   0.7018  8077.76  124.275  8244.89  177.541  7917.21  174.015   92.163   0.9924   90.313   0.9926 1.850060 1.403588 
1 1 1   -9    1    3 o  104.645   0.7955 10629.01  161.579 10536.04  227.499 10723.65  229.528  104.183   1.1249  105.107   1.1250 -0.9235001 1.590904 
1 1 1   -9    1    4 o   99.715   0.9003  9615.74  168.041  9517.23  210.778  9787.56  278.369   99.019   1.0966  100.412   1.4281 -1.393044 1.800583 
1 1 1   -9    1    5 f   81.234   0.6723  6405.04  106.016  6361.56  149.260  6449.30  150.608   80.956   0.9498   81.512   0.9518 -0.5563278 1.344652 
1 1 1   -9    1    6 o  191.294   1.1813 35520.77  438.618 35818.75  624.362 35230.43  616.315  192.086   1.6745  190.502   1.6666 1.583878 2.362509 
1 1 1   -9    1    7 o  163.300   1.1205 25883.93  355.159 25629.33  499.064 26145.18  505.540  162.486   1.5822  164.113   1.5869 -1.626984 2.240921 
1 1 1   -9    1    8 o  143.420   1.2180 19968.26  339.105 19978.85  480.079 19957.71  479.056  143.458   1.7239  143.383   1.7212 0.7586670E-01 2.436063 
1 1 1   -9    1    9 o  217.393   1.4851 45874.02  626.656 45178.55  878.276 46595.25  894.393  215.715   2.0974  219.071   2.1032 -3.355865 2.970287 
1 1 1   -9    1   10 o  177.181   1.3908 30479.02  478.337 30481.06  674.909 30476.96  678.044  177.187   1.9622  177.175   1.9715 0.1219177E-01 2.781546 
1 1 1   -9    1   11 o  159.044   1.3173 24556.47  406.690 24765.79  577.901 24351.10  572.430  159.716   1.8640  158.373   1.8620 1.342773 2.634651 
1 1 1   -9    1   12 o  157.119   1.9130 23977.47  583.428 23766.81  825.842 24187.37  824.344  156.429   2.7197  157.808   2.6910 -1.379089 3.825968 
1 1 1   -9    1   13 o   50.672   2.7134  2496.29  264.331  2501.10  350.544  2489.96  402.448   50.733   3.5595   50.610   4.0964 0.1228294 5.426852 
1 1 1   -9    1   14 o   41.077   2.9478  1627.98  234.066  1459.23  315.664  1834.08  348.859   38.731   4.1986   43.423   4.1387 -4.691868 5.895508 
1 1 1   -9    1   15 o   46.293   2.9726  2055.80  264.696  1716.86  353.154  2490.30  399.853   41.997   4.3319   50.589   4.0718 -8.591328 5.945106 
1 1 1   -9    1   16 f  191.272   1.7390 35516.32  597.494 35660.55  1073.24 35451.54  719.266  191.505   2.8870  191.038   1.9396 0.4662933 3.478049 
1 1 1   -9    1   17 o   95.781   1.0480  8908.56  194.847  9002.39  276.212  8815.62  274.903   96.283   1.4778   95.279   1.4863 1.004311 2.096002 
1 1 1   -9    1   18 o  103.430   1.1107 10388.37  222.962 10486.78  319.250 10294.67  311.523  103.908   1.5828  102.953   1.5588 0.9550171 2.221483 
1 1 1   -9    1   19 o   27.998   1.1536  761.791   62.668  732.089   88.393  791.806   88.859   27.449   1.6589   28.548   1.6035 -1.098616 2.307220 
1 1 1   -9    1   20 o   84.435   1.0121  6926.15  165.847  6924.19  237.111  6928.03  232.057   84.423   1.4469   84.448   1.4156 -0.2513123E-01 2.024188 
1 1 1   -9    1   21 o   45.717   0.9578  2029.23   84.964  1985.74  118.189  2075.75  122.228   45.211   1.3467   46.224   1.3622 -1.012737 1.915507 
1 1 1   -9    1   22 o   66.467   0.9785  4293.08  126.249  4325.56  178.473  4260.56  178.614   66.719   1.3780   66.215   1.3896 0.5038681 1.957023 
1 1 1   -9    1   23 o   18.914   1.9067  347.935   69.878  332.936   95.402  365.296  102.639   18.476   2.6600   19.351   2.7324 -0.8745480 3.813301 
1 1 1   -9    1   24 o   40.575   1.0764  1600.53   84.757  1650.29  120.727  1552.16  119.021   41.198   1.5096   39.953   1.5347 1.244846 2.152707 
1 1 1   -9    1   25 o  127.883   1.3526 15925.25  335.749 15844.60  471.025 16008.56  478.711  127.556   1.9023  128.209   1.9235 -0.6535187 2.705275 
1 1 1   -9    1   26 o   54.671   1.0367  2907.58  109.985  3004.75  156.500  2812.75  154.602   55.575   1.4507   53.767   1.4813 1.807571 2.073315 
1 1 1   -9    1   27 o   36.656   1.3066  1315.91   92.495  1177.69  131.986  1449.31  129.661   34.746   1.9569   38.566   1.7320 -3.820065 2.613244 
1 1 1   -9    1   28 o   29.666   1.5211  863.928   87.325  791.349  124.047  935.233  122.953   28.415   2.2489   30.916   2.0488 -2.500935 3.042212 
1 1 1   -9    1   29 o   32.208   1.5225  1018.91   95.183  1010.72  134.848  1027.04  134.371   32.077   2.1656   32.339   2.1405 -0.2623444 3.044926 
1 1 1   -9    1   30 o   15.800   2.8135  264.785   86.208  263.525  123.931  265.967  119.997   15.755   4.0347   15.846   3.9222 -0.9114265E-01 5.626957 
1 1 1   -9    1   31 o   21.020   2.3083  451.197   94.107  477.796  135.140  426.155  131.125   21.636   3.2176   20.404   3.3105 1.231947 4.616562 
1 1 1   -9    1   32 o   45.539   1.2820  2047.29  113.032  1851.73  155.421  2266.85  164.684   43.218   1.8526   47.860   1.7726 -4.641983 2.564017 
1 1 1   -9    1   33 o   32.297   1.7180  1061.18  107.328  1066.69  146.126  1054.72  158.155   32.453   2.3196   32.140   2.5349 0.3125534 3.436033 
1 1 1   -9    1   34 o   21.844   2.5878  529.377  106.582  458.328  148.064  605.782  153.543   19.994   3.9550   23.694   3.3383 -3.699842 5.175555 
1 1 1   -9    2    1 o  110.213   0.8315 11790.68  177.896 11697.69  250.744 11884.94  252.431  109.776   1.1767  110.651   1.1752 -0.8751373 1.663052 
1 1 1   -9    2    2 o  293.768   1.6269 83797.27  927.713 83488.98  1306.58 84110.70  1317.45  293.223   2.2955  294.312   2.3060 -1.089142 3.253754 
1 1 1   -9    2    3 o  128.119   0.9508 15933.72  236.463 15882.06  333.013 15986.26  335.824  127.910   1.3412  128.328   1.3481 -0.4188080 1.901632 
1 1 1   -9    2    4 o  237.845   1.3382 54922.22  617.849 54913.34  874.713 54931.07  872.830  237.826   1.8947  237.864   1.8903 -0.3855896E-01 2.676418 
1 1 1   -9    2    5 o  109.024   0.8202 11536.39  173.576 11424.71  243.567 11651.64  247.424  108.488   1.1566  109.561   1.1634 -1.072113 1.640459 
1 1 1   -9    2    6 o  340.818   1.8090 112884.00  1192.26 113902.00  1620.83 111683.70  1759.96  342.501   2.4379  339.135   2.6734 3.365295 3.618051 
1 1 1   -9    2    7 o  255.314   1.3944 63278.32  691.047 62795.23  971.251 63773.61  983.440  254.327   1.9673  256.301   1.9767 -1.973297 2.788823 
1 1 1   -9    2    8 o  167.238   1.3301 27152.04  431.785 27160.76  609.679 27143.27  611.599  167.264   1.8777  167.210   1.8842 0.5398560E-01 2.660122 
1 1 1   -9    2    9 o  106.322   1.0516 10973.30  217.024 11008.63  308.577 10938.73  305.287  106.491   1.4927  106.153   1.4815 0.3384857 2.103145 
1 1 1   -9    2   10 o   89.256   0.9484  7730.56  164.284  7881.60  235.129  7586.51  229.635   90.107   1.3443   88.404   1.3381 1.702873 1.896740 
1 1 1   -9    2   11 o  183.528   1.3859 32698.82  493.729 32304.31  694.577 33101.76  701.958  182.409   1.9616  184.647   1.9584 -2.237793 2.771867 
1 1 1   -9    2   12 o  114.656   1.9733 12755.74  438.939 12399.80  608.049 13143.06  634.289  112.988   2.7723  116.324   2.8090 -3.335899 3.946666 
1 1 1   -9    2   13 o  162.481   1.9485 25646.85  614.323 26526.18  869.964 24772.27  867.609  165.261   2.7118  159.700   2.7987 5.560516 3.897014 
1 1 1   -9    2   14 o  129.962   2.0482 16419.63  516.403 17000.27  728.099 15831.90  732.529  132.278   2.8356  127.646   2.9563 4.632072 4.096377 
1 1 1   -9    2   15 o  190.326   2.0210 35207.43  746.579 34911.56  1062.13 35496.38  1049.63  189.533   2.8869  191.119   2.8292 -1.585785 4.042082 
1 1 1   -9    2   16 o   48.047   2.1694  2195.79  105.350  2303.92  393.943  2187.46  109.332   48.627   4.1734   47.466   1.1866 1.161240 4.338773 
1 1 1   -9    2   17 o   66.603   0.8748  4308.06  113.072  4220.36  160.420  4394.65  159.400   65.929   1.2535   67.277   1.2205 -1.348289 1.749553 
1 1 1   -9    2   18 o  136.429   1.2298 18079.69  325.676 17851.49  458.258 18312.56  462.928  135.559   1.7415  137.299   1.7369 -1.739746 2.459595 
1 1 1   -9    2   19 o   29.120   1.1476  824.893   64.678  905.362   92.007  746.281   90.939   30.527   1.5526   27.713   1.6904 2.813889 2.295282 
1 1 1   -9    2   20 o   42.558   0.9215  1757.39   76.066  1806.13  110.267  1713.14  105.068   43.120   1.3173   41.997   1.2888 1.123978 1.842944 
1 1 1   -9    2   21 o   50.983   0.9369  2525.78   92.697  2456.48  131.292  2594.67  130.895   50.285   1.3450   51.681   1.3047 -1.396374 1.873888 
1 1 1   -9    2   22 o   59.608   0.9338  3452.88  108.035  3412.74  153.700  3492.07  151.884   59.265   1.3360   59.951   1.3051 -0.6863785 1.867698 
1 1 1   -9    2   23 o   82.997   1.0734  6693.42  172.901  6510.11  241.781  6885.27  247.353   81.834   1.5220   84.160   1.5141 -2.325600 2.146861 
1 1 1   -9    2   24 o   73.180   1.0196  5206.61  144.818  5188.53  206.348  5224.15  203.292   73.053   1.4551   73.306   1.4286 -0.2526016 2.039191 
1 1 1   -9    2   25 o   55.923   1.0256  3038.64  111.280  3120.56  160.632  2963.05  154.307   56.646   1.4608   55.200   1.4401 1.446632 2.051286 
1 1 1   -9    2   26 f   36.561   1.2637  1302.57   89.648  1268.16  127.413  1336.31  126.158   36.080   1.8192   37.042   1.7545 -0.9615631 2.527406 
1 1 1   -9    2   27 o   78.206   1.1204  5953.78  170.012  6025.90  244.939  5886.73  236.166   78.660   1.6041   77.753   1.5647 0.9072113 2.240888 
1 1 1   -9    2   28 o   29.525   1.5781  853.230   90.140  866.955  133.550  841.745  122.164   29.732   2.3139   29.318   2.1466 0.4143772 3.156270 
1 1 1   -9    2   29 o   79.417   1.1964  6165.88  184.397  6120.75  257.888  6213.10  263.765   79.124   1.6790   79.710   1.7047 -0.5858383 2.392702 
1 1 1   -9    2   30 f   57.054   1.1507  3188.21  127.422  3206.24  178.779  3169.59  181.661   57.224   1.6094   56.884   1.6451 0.3391266 2.301471 
1 1 1   -9    2   31 o   29.877   1.6546  888.854   95.462  1015.97  138.013  772.248  132.182   31.961   2.2245   27.793   2.4500 4.167419 3.309236 
1 1 1   -9    2   32 o   42.639   1.3105  1803.06  108.407  1733.37  153.215  1872.92  153.408   41.796   1.8884   43.481   1.8175 -1.684860 2.620966 
1 1 1   -9    2   33 o   22.998   2.3461  562.363  103.418  584.761  138.015  533.683  156.174   23.695   3.0005   22.301   3.6076 1.394171 4.692280 
1 1 1   -9    2   34 o   9.9867   2.9427   11.597  106.131 -146.0899  150.687  166.817  149.503   7.6312   3.6424   12.342   4.6227 -4.710857 5.885302 
1 1 1   -9    3    1 o  115.064   0.8436 12851.15  188.431 12976.84  267.519 12727.40  265.456  115.622   1.1919  114.505   1.1943 1.116653 1.687292 
1 1 1   -9    3    2 o  367.038   1.9095 130827.10  1360.39 130034.00  1912.13 131639.91  1935.84  365.913   2.6920  368.164   2.7087 -2.251038 3.818900 
1 1 1   -9    3    3 o  115.158   0.8660 12871.54  193.577 12995.64  275.594 12750.69  271.960  115.705   1.2270  114.610   1.2224 1.095604 1.732011 
1 1 1   -9    3    4 o  108.826   0.8243 11494.95  174.123 11624.03  247.523 11368.51  244.990  109.430   1.1652  108.221   1.1662 1.209450 1.648570 
1 1 1   -9    3    5 o  131.834   0.9608 16870.38  245.874 16988.25  349.551 16754.95  345.916  132.290   1.3612  131.379   1.3564 0.9114838 1.921610 
1 1 1   -9    3    6 o   39.812   0.4288  1538.38   33.141  1515.51   46.715  1561.56   47.023   39.514   0.6090   40.110   0.6039 -0.5959091 0.8576960 
1 1 1   -9    3    7 o  174.976   1.1463 29721.19  389.354 29771.30  549.359 29670.61  551.909  175.124   1.6160  174.827   1.6263 0.2966003 2.292655 
1 1 1   -9    3    8 o  186.625   1.4238 33806.70  515.724 33082.35  724.040 34552.66  734.767  184.596   2.0206  188.654   2.0064 -4.057861 2.847520 
1 1 1   -9    3    9 o   27.195   0.6519  720.887   34.029  696.418   51.682  739.614   45.214   26.786   0.9940   27.604   0.8438 -0.8184814 1.303819 
1 1 1   -9    3   10 o  371.501   1.9802 134022.00  1427.91 132970.59  2003.94 135106.30  2035.17  370.022   2.7899  372.980   2.8109 -2.958008 3.960420 
1 1 1   -9    3   11 o  171.967   1.3793 28712.64  460.402 28846.82  649.075 28576.78  653.158  172.372   1.9398  171.562   1.9612 0.8092804 2.758518 
1 1 1   -9    3   12 o  100.002   2.0422  9707.20  396.182  9889.45  572.727  9539.97  548.622  100.900   2.9241   99.103   2.8518 1.796944 4.084492 
1 1 1   -9    3   13 o  182.933   1.9428 32502.02  689.875 32192.31  972.368 32815.92  978.926  182.055   2.7515  183.811   2.7436 -1.755249 3.885565 
1 1 1   -9    3   14 o  205.886   1.9730 41179.79  788.491 41557.75  1122.19 40811.25  1108.13  206.818   2.7952  204.953   2.7853 1.865189 3.946010 
1 1 1   -9    3   15 o  166.391   1.6840 26881.94  493.928 26928.25  916.544 26862.99  586.356  166.460   2.8365  166.321   1.8161 0.1395721 3.368070 
1 1 1   -9    3   16 o   11.938   3.7014 -16.0269   68.461  177.996  336.780 -24.3902   69.921   17.464   6.8369   6.4118   2.8389 11.05218 7.402837 
1 1 1   -9    3   17 o   98.149   1.0766  9354.97  205.105  9355.18  291.104  9354.75  289.032   98.150   1.5279   98.148   1.5171 0.1876831E-02 2.153117 
1 1 1   -9    3   18 o   68.250   0.9140  4519.34  121.038  4669.46  174.289  4379.49  168.221   69.344   1.2948   67.157   1.2904 2.187500 1.828003 
1 1 1   -9    3   19 o   29.260   1.1132  833.640   63.085  789.861   90.607  874.830   87.887   28.512   1.6371   30.008   1.5087 -1.496851 2.226304 
1 1 1   -9    3   20 o   40.479   0.9494  1594.48   74.457  1492.61  105.946  1693.90  104.662   39.198   1.3924   41.760   1.2911 -2.562057 1.898872 
1 1 1   -9    3   21 o   46.110   0.9452  2054.74   84.331  2199.00  125.554  1936.16  113.829   47.576   1.3595   44.644   1.3135 2.932339 1.890371 
1 1 1   -9    3   22 o   74.326   1.0022  5368.64  144.589  5286.48  204.312  5451.07  204.647   73.755   1.4270   74.896   1.4076 -1.140663 2.004445 
1 1 1   -9    3   23 o   35.110   1.1633  1197.40   79.040  1214.63  116.827  1182.86  107.335   35.341   1.7030   34.880   1.5853 0.4606628 2.326622 
1 1 1   -9    3   24 o   67.961   1.0177  4490.78  134.242  4419.51  190.109  4561.66  189.585   67.422   1.4526   68.500   1.4258 -1.077812 2.035371 
1 1 1   -9    3   25 o   73.472   1.0448  5245.58  148.900  5356.83  215.620  5144.15  205.873   74.214   1.4967   72.730   1.4582 1.484375 2.089612 
1 1 1   -9    3   26 o   73.567   1.0979  5259.59  156.620  5423.35  227.852  5112.92  215.639   74.648   1.5724   72.485   1.5325 2.162918 2.195723 
1 1 1   -9    3   27 o   27.032   1.6120  705.664   83.884  847.781  125.802  591.891  112.560   29.460   2.1999   24.604   2.3568 4.855898 3.223938 
1 1 1   -9    3   28 o   42.306   1.2356  1747.97  101.452  1718.51  144.136  1776.89  142.822   41.949   1.7701   42.662   1.7246 -0.7132683 2.471291 
1 1 1   -9    3   29 o   28.935   1.6307  821.445   91.408  788.002  124.534  860.508  134.593   28.305   2.2665   29.564   2.3452 -1.259743 3.261492 
1 1 1   -9    3   30 o   52.159   1.1851  2659.05  119.800  2464.02  165.110  2875.88  174.093   50.139   1.6964   54.180   1.6553 -4.041142 2.370201 
1 1 1   -9    3   31 o   20.828   2.2107  440.683   89.138  456.074  131.818  427.716  120.995   21.135   3.2130   20.521   3.0374 0.6136742 4.421382 
1 1 1   -9    3   32 o   21.891   2.1905  492.094   92.972  526.443  134.623  460.773  128.551   22.633   3.0641   21.149   3.1313 1.484732 4.381083 
1 1 1   -9    3   33 o   27.958   1.9918  807.729  106.960  959.680  154.414  667.572  148.301   30.613   2.5984   25.302   3.0194 5.310766 3.983530 
1 1 1   -9    3   34 o   11.723   3.2808  131.786  111.305  166.774  160.041   99.008  154.904   12.419   4.7526   11.026   4.5240 1.392817 6.561555 
1 1 1   -9    4    1 o  423.694   1.9762 174339.00  1625.21 173627.41  2281.46 175072.09  2315.72  422.817   2.7797  424.570   2.8098 -1.752472 3.952399 
1 1 1   -9    4    2 o  156.144   1.0626 23661.31  322.016 24106.14  460.131 23234.32  450.811  157.582   1.5042  154.706   1.5011 2.875702 2.125112 
1 1 1   -9    4    3 o  266.824   1.4123 69122.80  731.483 69024.46  1032.12 69222.04  1036.84  266.633   1.9941  267.014   2.0004 -0.3810730 2.824543 
1 1 1   -9    4    4 o  135.637   0.9562 17857.86  251.763 17990.13  357.474 17727.68  354.636  136.135   1.3527  135.138   1.3519 0.9966125 1.912450 
1 1 1   -9    4    5 o  100.979   0.7714  9896.64  151.198  9790.68  212.424 10005.45  215.257  100.432   1.0896  101.527   1.0922 -1.095535 1.542784 
1 1 1   -9    4    6 o  434.271   2.0061 183138.70  1691.12 183522.00  2397.13 182758.80  2386.11  434.723   2.8406  433.819   2.8335 0.9042969 4.012185 
1 1 1   -9    4    7 o  115.344   0.8653 12911.04  193.721 13172.50  276.388 12658.55  271.599  116.492   1.2222  114.197   1.2252 2.295197 1.730610 
1 1 1   -9    4    8 o  169.609   1.3468 27923.87  443.384 28230.10  631.949 27626.97  622.243  170.524   1.9091  168.693   1.9002 1.831253 2.693590 
1 1 1   -9    4    9 o  127.064   1.1764 15673.41  290.153 15737.23  410.943 15609.96  409.736  127.322   1.6627  126.806   1.6646 0.5159225 2.352732 
1 1 1   -9    4   10 o   59.432   2.1628  3422.31  248.918  3315.61  338.495  3547.94  367.317   58.427   2.9845   60.437   3.1309 -2.010258 4.325504 
1 1 1   -9    4   11 o  209.881   1.5030 42769.14  612.319 43035.13  868.260 42505.96  863.659  210.530   2.1246  209.232   2.1264 1.298386 3.005902 
1 1 1   -9    4   12 f  240.515   1.9372 56177.77  904.380 56834.55  1289.51 55542.02  1268.71  241.898   2.7462  239.132   2.7331 2.765640 3.874466 
1 1 1   -9    4   13 o  259.951   1.9682 65632.71  993.120 65308.87  1397.32 65963.28  1411.75  259.303   2.7760  260.598   2.7908 -1.294861 3.936327 
1 1 1   -9    4   14 o   96.495   2.1170  9050.11  396.336  8981.05  568.602  9115.37  552.742   96.135   3.0469   96.856   2.9399 -0.7202682 4.233995 
1 1 1   -9    4   15 o   53.977   2.2457  2921.53  116.171  2731.17  447.012  2935.31  120.305   52.966   4.3477   54.988   1.1271 -2.021969 4.491414 
1 1 1   -9    4   16 o   57.026   2.2448  3206.81  122.505  3114.02  476.600  3213.37  126.764   56.522   4.3438   57.531   1.1351 -1.008877 4.489685 
1 1 1   -9    4   17 o  159.910   1.7447 24701.63  483.263 25194.00  926.987 24517.86  566.308  160.946   2.9671  158.873   1.8363 2.072891 3.489321 
1 1 1   -9    4   18 o  104.315   1.0950 10563.94  221.657 10204.85  309.933 10939.91  317.132  102.501   1.5577  106.129   1.5394 -3.628319 2.189963 
1 1 1   -9    4   19 o   95.082   1.0825  8783.03  199.803  8747.79  281.898  8818.62  283.233   94.891   1.5304   95.274   1.5315 -0.3833313 2.165056 
1 1 1   -9    4   20 o   84.912   1.0352  7002.30  170.596  7158.88  244.150  6852.93  238.470   85.839   1.4652   83.985   1.4627 1.854141 2.070382 
1 1 1   -9    4   21 o   56.190   0.9301  3067.07  101.370  2905.06  142.341  3233.81  144.399   54.683   1.3409   57.697   1.2893 -3.013241 1.860204 
1 1 1   -9    4   22 o   14.820   2.3938  224.045   67.336  206.900   98.047  239.350   92.639   14.267   3.5536   15.372   3.2082 -1.105342 4.787539 
1 1 1   -9    4   23 o  123.501   1.3023 14832.96  312.154 15162.04  446.498 14518.34  436.575  124.840   1.8425  122.161   1.8410 2.678528 2.604627 
1 1 1   -9    4   24 o   78.298   1.0402  5959.47  158.024  5995.87  227.519  5925.54  219.647   78.527   1.4926   78.069   1.4494 0.4579010 2.080493 
1 1 1   -9    4   25 o   31.195   1.3340  947.077   80.559  954.403  118.591  940.800  109.775   31.303   1.9516   31.086   1.8192 0.2167091 2.668004 
1 1 1   -9    4   26 o   33.861   1.3612  1122.69   89.031  1044.15  129.451  1193.18  122.641   32.724   2.0379   34.998   1.8052 -2.274761 2.722439 
1 1 1   -9    4   27 o   54.836   1.0988  2922.44  116.780  3024.85  170.986  2832.90  159.876   55.732   1.5805   53.941   1.5269 1.791313 2.197557 
1 1 1   -9    4   28 o   33.524   1.4681  1099.56   95.512  1074.51  133.102  1126.14  137.137   33.132   2.0696   33.917   2.0829 -0.7848015 2.936272 
1 1 1   -9    4   29 o   33.796   1.4809  1121.69   97.057  1060.82  136.693  1183.58  137.832   32.862   2.1428   34.730   2.0445 -1.867981 2.961704 
1 1 1   -9    4   30 o   51.253   1.1916  2569.90  118.441  2707.14  171.759  2445.48  163.543   52.556   1.6836   49.951   1.6867 2.605331 2.383122 
1 1 1   -9    4   31 o   14.460   2.8963  228.475   85.272  202.189  128.102  249.390  114.266   13.739   4.3131   15.182   3.8667 -1.442815 5.792637 
1 1 1   -9    4   32 o   23.439   2.0787  561.372   94.317  572.653  139.150  551.785  128.280   23.616   3.0353   23.261   2.8409 0.3552990 4.157423 
1 1 1   -9    4   33 o   26.795   2.0835  737.053  107.613  830.692  164.483  666.975  142.292   28.230   3.0015   25.359   2.8906 2.870901 4.167085 
1 1 1   -9    4   34 o   19.637   2.9687  451.792  109.782  419.556  153.984  485.115  156.559   18.814   4.3090   20.461   4.0848 -1.646915 5.937412 
1 1 1   -9    5    1 o  300.499   1.5746 87729.67  915.315 87048.72  1349.16 88310.38  1245.90  299.412   2.3213  301.585   2.1282 -2.172363 3.149207 
1 1 1   -9    5    2 o  156.411   1.1168 23712.88  337.310 23402.80  453.013 24098.69  505.319  155.266   1.5030  157.555   1.6522 -2.288574 2.233597 
1 1 1   -9    5    3 o  159.713   1.0787 24757.21  334.375 24437.75  468.292 25089.50  477.600  158.662   1.5205  160.764   1.5304 -2.101669 2.157316 
1 1 1   -9    5    4 o   63.318   0.6562  3869.41   76.420  3960.20  131.794  3823.42   93.798   63.874   1.0629   62.762   0.7699 1.111496 1.312467 
1 1 1   -9    5    5 o  357.179   1.9062 123886.20  1321.64 124206.80  1871.15 123567.00  1867.02  357.640   2.6952  356.717   2.6962 0.9224243 3.812346 
1 1 1   -9    5    6 o  291.130   1.4824 82281.01  837.697 81738.45  1177.18 82837.63  1192.33  290.158   2.0900  292.102   2.1028 -1.943939 2.964756 
1 1 1   -9    5    7 o   85.074   0.6841  7019.07  112.917  6830.94  156.745  7222.03  162.805   83.890   0.9625   86.258   0.9723 -2.368004 1.368162 
1 1 1   -9    5    8 o  218.964   1.5146 46549.45  643.766 46820.46  911.478 46279.67  909.370  219.601   2.1382  218.329   2.1457 1.272141 3.029162 
1 1 1   -9    5    9 o  253.154   1.5894 62216.73  780.987 63203.64  1111.85 61255.56  1097.26  255.136   2.2450  251.173   2.2505 3.962921 3.178751 
1 1 1   -9    5   10 o  405.917   1.9639 159927.50  1541.54 161057.80  2286.34 158985.41  2087.34  407.221   2.8923  404.613   2.6576 2.607727 3.927885 
1 1 1   -9    5   11 o  315.322   1.7428 96547.73  1066.71 97180.38  1514.28 95924.57  1502.90  316.347   2.4659  314.296   2.4633 2.050507 3.485514 
1 1 1   -9    5   12 o  332.423   1.9942 107336.70  1286.83 107449.10  1822.83 107225.00  1816.90  332.596   2.8233  332.250   2.8171 0.3464355 3.988389 
1 1 1   -9    5   13 o   84.556   2.1938  6935.51  358.880  7070.54  531.912  6822.68  486.226   85.308   3.2121   83.805   2.9889 1.502892 4.387570 
1 1 1   -9    5   14 o  292.797   1.7785 83250.65  965.100 83368.27  1628.71 83187.00  1198.09  292.920   2.8644  292.673   2.1088 0.2463684 3.556945 
1 1 1   -9    5   15 o   66.208   2.2485  4875.42  168.246  3546.74  505.242  5041.14  178.430   60.357   4.3123   72.059   1.2756 -11.70218 4.497002 
1 1 1   -9    5   16 o   81.007   1.8197  6314.54  192.856  6466.43  536.505  6292.00  206.670   81.516   3.3905   80.499   1.3226 1.016815 3.639359 
1 1 1   -9    5   17 o  123.890   1.7866 14931.01  355.376 14899.80  758.819 14939.78  402.211  123.755   3.1587  124.026   1.6706 -0.2708664 3.573300 
1 1 1   -9    5   18 o  127.042   1.2046 15679.15  297.065 15652.34  421.409 15705.62  418.830  126.934   1.7103  127.150   1.6969 -0.2167664 2.409239 
1 1 1   -9    5   19 o   61.608   0.9018  3686.26  107.844  3692.65  153.593  3680.04  151.458   61.660   1.2832   61.555   1.2675 0.1049118 1.803699 
1 1 1   -9    5   20 o   64.266   0.9286  4012.78  115.825  3940.35  164.418  4084.12  163.191   63.690   1.3299   64.842   1.2965 -1.152859 1.857286 
1 1 1   -9    5   21 o   74.921   0.9939  5456.84  144.459  5275.96  205.154  5634.73  203.448   73.688   1.4342   76.155   1.3762 -2.467583 1.987722 
1 1 1   -9    5   22 o   31.707   1.2797  982.128   78.405  895.254  112.617  1063.85  109.223   30.336   1.9124   33.078   1.7010 -2.741093 2.559439 
1 1 1   -9    5   23 o   82.162   1.0483  6561.98  167.160  6566.87  239.029  6557.30  233.857   82.191   1.4982   82.133   1.4668 0.5720520E-01 2.096657 
1 1 1   -9    5   24 o   15.932   2.3943  256.352   71.412  273.783  107.585  242.622   95.480   16.409   3.4851   15.455   3.2839 0.9544182 4.788532 
1 1 1   -9    5   25 o   67.106   1.0458  4383.21  136.117  4242.38  194.250  4519.07  190.795   66.043   1.5152   68.169   1.4418 -2.126511 2.091583 
1 1 1   -9    5   26 o   47.850   1.1037  2213.96  102.107  2387.43  153.006  2074.68  137.100   49.526   1.5915   46.173   1.5296 3.352825 2.207402 
1 1 1   -9    5   27 o   32.344   1.4197  1024.53   88.782  969.021  129.203  1074.18  122.202   31.501   2.1129   33.186   1.8970 -1.684721 2.839495 
1 1 1   -9    5   28 o   35.242   1.4384  1219.48   98.025  1327.22  137.674  1108.69  139.602   36.841   1.9251   33.643   2.1376 3.198368 2.876706 
1 1 1   -9    5   29 o   47.865   1.1929  2242.77  110.726  2317.90  155.014  2164.51  158.216   48.694   1.6400   47.035   1.7328 1.658283 2.385832 
1 1 1   -9    5   30 o   50.097   1.2055  2454.71  117.091  2608.61  170.388  2317.00  161.180   51.582   1.7017   48.612   1.7081 2.970421 2.411059 
1 1 1   -9    5   31 o   10.662   2.7093   67.104   86.379 -98.6550  129.470  200.075  115.960   7.6864   3.5766   13.637   4.0705 -5.950500 5.418564 
1 1 1   -9    5   32 o   18.060   2.7478  342.412   96.551  511.549  147.464  215.497  127.738   22.150   3.4296   13.970   4.2942 8.180319 5.495623 
1 1 1   -9    5   33 o   12.184   3.1955  153.092  100.337  149.099  149.403  156.373  135.421   12.175   4.6080   12.193   4.4285 -0.1734257E-01 6.391035 
1 1 1   -9    5   34 o   19.597   2.8388  454.923  106.991  268.217  151.878  638.855  150.745   14.775   4.7033   24.419   3.1802 -9.643580 5.677591 
1 1 1   -9    6    1 o   86.489   0.6884  7257.70  115.553  7422.73  165.494  7100.70  161.416   87.448   0.9749   85.530   0.9722 1.917938 1.376838 
1 1 1   -9    6    2 o  204.999   1.2289 40795.59  488.992 40485.77  688.017 41111.83  695.114  204.213   1.7356  205.786   1.7401 -1.572739 2.457702 
1 1 1   -9    6    3 o  141.227   0.9869 19361.28  270.541 19379.12  382.285 19343.37  382.921  141.292   1.3938  141.161   1.3974 0.1304474 1.973703 
1 1 1   -9    6    4 o  338.375   1.8041 111163.80  1179.54 111372.30  1755.09 110992.00  1592.93  338.656   2.6698  338.093   2.4271 0.5635071 3.608150 
1 1 1   -9    6    5 o  363.711   1.8036 128562.30  1271.41 126219.90  1840.19 130701.80  1758.67  360.534   2.6294  366.889   2.4694 -6.355255 3.607119 
1 1 1   -9    6    6 o   76.983   0.6390  5751.35   95.483  5693.62  133.639  5811.55  136.473   76.589   0.8989   77.378   0.9086 -0.7890549 1.278087 
1 1 1   -9    6    7 f   87.480   0.7003  7420.39  118.852  7206.42  164.641  7653.24  171.749   86.165   0.9843   88.796   0.9964 -2.630966 1.400629 
1 1 1   -9    6    8 o  172.089   1.3586 28750.92  453.842 28762.41  640.309 28739.31  643.360  172.124   1.9164  172.054   1.9263 0.6936646E-01 2.717203 
1 1 1   -9    6    9 o  331.382   1.7443 106612.90  1121.87 105543.40  1569.72 107729.50  1603.96  329.684   2.4528  333.079   2.4807 -3.395111 3.488585 
1 1 1   -9    6   10 o  281.633   1.6564 77012.63  905.508 77701.19  1286.66 76336.92  1274.59  282.880   2.3431  280.385   2.3418 2.494263 3.312745 
1 1 1   -9    6   11 o  187.152   1.4338 34006.84  520.894 33847.21  734.899 34167.99  738.426  186.711   2.0277  187.593   2.0278 -0.8826752 2.867634 
1 1 1   -9    6   12 o  290.155   1.9730 81759.08  1111.15 83176.06  1583.86 80385.81  1559.24  292.631   2.7883  287.680   2.7921 4.950531 3.945940 
1 1 1   -9    6   13 o  146.678   1.9726 20899.43  561.578 20844.97  800.883 20952.10  787.665  146.489   2.8164  146.867   2.7628 -0.3781891 3.945298 
1 1 1   -9    6   14 o  179.441   1.6853 31100.61  531.845 31688.80  994.906 30865.28  629.308  180.594   2.8380  178.288   1.8183 2.305710 3.370565 
1 1 1   -9    6   15 o  181.341   1.7141 32055.05  555.186 31679.87  1003.51 32220.54  666.476  180.537   2.8634  182.144   1.8850 -1.607025 3.428177 
1 1 1   -9    6   16 o   19.416   3.2042  540.201   70.956  -1.5277  309.549  570.244   72.897   14.599   6.2183   24.232   1.5497 -9.633197 6.408487 
1 1 1   -9    6   17 o   41.729   2.7412  2049.03  104.414  1328.72  382.920  2106.89  108.526   36.875   5.3495   46.583   1.2002 -9.708485 5.482491 
1 1 1   -9    6   18 f   99.520   1.0983  9610.64  212.037  9886.28  306.641  9358.10  293.520  100.886   1.5658   98.155   1.5405 2.730682 2.196554 
1 1 1   -9    6   19 o  115.094   1.1664 12868.08  260.552 12661.39  364.688 13083.59  372.384  114.150   1.6458  116.037   1.6532 -1.887016 2.332762 
1 1 1   -9    6   20 o   59.066   0.9343  3395.59  106.893  3162.18  152.053  3623.66  150.302   57.053   1.3729   61.078   1.2677 -4.025406 1.868683 
1 1 1   -9    6   21 o   34.791   1.0953  1167.92   73.421  1242.91  112.128  1111.63   97.144   35.759   1.6153   33.822   1.4796 1.937321 2.190552 
1 1 1   -9    6   22 o  157.221   1.3661 24048.20  416.865 23982.83  593.629 24111.79  585.526  157.008   1.9477  157.435   1.9159 -0.4275513 2.732113 
1 1 1   -9    6   23 o   83.425   1.0763  6766.33  174.198  6757.47  250.649  6774.60  242.272   83.370   1.5488   83.480   1.4950 -0.1103668 2.152651 
1 1 1   -9    6   24 o   21.789   1.8298  485.774   73.688  347.104  110.712  596.062   98.735   18.839   3.0274   24.738   2.0561 -5.898788 3.659552 
1 1 1   -9    6   25 f   69.654   1.0455  4722.59  141.192  4626.35  203.409  4812.08  196.141   68.965   1.5194   70.344   1.4364 -1.378876 2.090901 
1 1 1   -9    6   26 o   35.882   1.2878  1252.86   89.258  1268.76  133.376  1239.96  120.121   36.082   1.9042   35.683   1.7342 0.3995934 2.575564 
1 1 1   -9    6   27 o   21.450   2.1934  456.546   90.461  410.366  132.727  496.605  123.619   20.404   3.3510   22.495   2.8309 -2.091219 4.386774 
1 1 1   -9    6   28 o   64.875   1.1185  4105.75  140.856  4126.46  200.449  4085.55  197.974   65.036   1.5878   64.715   1.5759 0.3207321 2.237092 
1 1 1   -9    6   29 o   14.400   2.9789  213.449   90.021  267.455  128.745  161.787  125.919   15.939   4.1281   12.860   4.2959 3.078962 5.957832 
1 1 1   -9    6   30 o   29.445   1.6311  858.811   92.990  834.409  135.238  880.694  128.069   29.025   2.4003   29.865   2.2091 -0.8400059 3.262135 
1 1 1   -9    6   31 o   32.316   1.5075  1035.34   94.258  1064.73  139.802  1010.84  127.631   32.710   2.2017   31.921   2.0597 0.7894592 3.014984 
1 1 1   -9    6   32 o   13.525   3.1223  197.324   94.027  224.592  140.351  175.120  126.651   14.226   4.5205   12.824   4.3082 1.402292 6.244687 
1 1 1   -9    6   33 o   19.176   2.7048  404.630   98.707  490.519  143.985  328.478  135.579   21.434   3.4606   16.918   4.1579 4.515697 5.409570 
1 1 1   -9    6   34 o   36.773   1.6635  1386.50  118.279  1403.96  175.547  1371.98  160.067   36.900   2.4508   36.646   2.2501 0.2534180 3.327059 
1 1 1   -9    7    1 o  187.444   1.2061 34102.48  438.817 33574.29  615.471 34648.57  625.821  185.968   1.7049  188.920   1.7065 -2.951767 2.412239 
1 1 1   -9    7    2 o   81.740   0.6612  6480.54  104.866  6663.68  150.907  6309.52  145.830   82.856   0.9382   80.624   0.9318 2.231857 1.322322 
1 1 1   -9    7    3 o  309.043   1.5917 92745.37  950.746 92867.49  1286.79 92598.54  1410.88  309.273   2.1434  308.814   2.3536 0.4587708 3.183302 
1 1 1   -9    7    4 o  293.729   1.5672 83721.04  889.217 84233.68  1326.68 83302.88  1198.19  294.540   2.3204  292.918   2.1073 1.622345 3.134429 
1 1 1   -9    7    5 o  130.306   1.0881 16384.96  267.161 16086.44  337.756 16883.91  436.658  128.732   1.3516  131.880   1.7057 -3.147675 2.176283 
1 1 1   -9    7    6 o  302.775   1.5909 88873.59  929.265 87856.06  1243.51 90160.48  1398.45  300.820   2.1295  304.729   2.3641 -3.909546 3.181792 
1 1 1   -9    7    7 o   70.716   0.7104  4866.74   93.881  4901.66  118.003  4806.52  154.958   71.063   0.8554   70.369   1.1344 0.6942978 1.420786 
1 1 1   -9    7    8 o  457.129   2.0630 202936.00  1830.50 202343.30  2571.46 203544.91  2606.33  456.454   2.9021  457.805   2.9328 -1.350403 4.125992 
1 1 1   -9    7    9 o  239.174   1.5594 55542.93  724.004 55557.75  1021.61 55527.97  1026.19  239.207   2.2001  239.142   2.2106 0.6454468E-01 3.118855 
1 1 1   -9    7   10 f  146.360   1.3006 20785.80  369.413 21295.00  530.004 20304.71  515.171  148.103   1.8435  144.618   1.8351 3.484482 2.601204 
1 1 1   -9    7   11 o  236.782   1.5595 54423.39  716.677 53615.93  1001.96 55269.27  1025.52  234.984   2.1966  238.579   2.2143 -3.594757 3.119022 
1 1 1   -9    7   12 o  208.743   1.9285 42320.76  781.441 42038.41  1101.66 42606.68  1108.62  208.043   2.7279  209.444   2.7268 -1.401489 3.857048 
1 1 1   -9    7   13 o  134.104   1.6713 17738.75  378.815 16909.41  742.262 18030.84  440.500  131.931   2.8983  136.277   1.6652 -4.346695 3.342602 
1 1 1   -9    7   14 o  109.743   1.7322 12080.68  300.596 11042.88  640.790 12373.48  340.370  106.596   3.0968  112.890   1.5532 -6.294479 3.464458 
1 1 1   -9    7   15 o  148.735   1.7120 21665.45  434.580 21133.72  843.877 21857.37  506.975  147.445   2.9484  150.025   1.7408 -2.579636 3.423956 
1 1 1   -9    7   16 o   68.353   2.0175  4768.14  160.313  4267.88  493.464  4827.17  169.508   66.196   3.8402   70.510   1.2384 -4.313828 4.034992 
1 1 1   -9    7   17 o  107.166   1.8892 11246.19  297.842 11043.23  710.881 11289.41  328.021  106.515   3.4381  107.817   1.5673 -1.302094 3.778482 
1 1 1   -9    7   18 f   94.247   1.9235  8693.95  250.277  8568.87  646.613  8715.99  271.434   93.765   3.5525   94.729   1.4761 -0.9642563 3.846990 
1 1 1   -9    7   19 o   90.340   1.0338  7929.85  181.236  7857.45  258.646  7999.70  254.029   89.934   1.4816   90.746   1.4421 -0.8126297 2.067516 
1 1 1   -9    7   20 o   53.961   0.8945  2829.15   93.575  2811.61  135.577  2845.11  129.316   53.800   1.2982   54.122   1.2309 -0.3217087 1.788957 
1 1 1   -9    7   21 o   54.687   0.9286  2909.28   98.447  2796.05  140.934  3017.17  137.576   53.645   1.3534   55.729   1.2717 -2.084206 1.857134 
1 1 1   -9    7   22 o   80.956   1.0538  6371.74  165.559  6264.55  235.715  6476.11  232.587   80.282   1.5125   81.629   1.4678 -1.347740 2.107669 
1 1 1   -9    7   23 o   47.201   1.0062  2165.21   91.839  2168.64  135.993  2162.33  124.523   47.232   1.4832   47.169   1.3600 0.6291580E-01 2.012344 
1 1 1   -9    7   24 o   50.870   1.0104  2517.90   99.692  2454.42  142.707  2578.40  139.327   50.242   1.4632   51.499   1.3937 -1.257626 2.020760 
1 1 1   -9    7   25 o   35.277   1.2574  1214.92   85.770  1166.98  125.469  1256.97  117.514   34.617   1.8672   35.938   1.6845 -1.321194 2.514741 
1 1 1   -9    7   26 o  129.741   1.5861 16432.08  397.989 16412.60  588.402 16448.50  540.347  129.638   2.3382  129.844   2.1438 -0.2052612 3.172216 
1 1 1   -9    7   27 o   84.736   1.1818  6994.29  194.319  6718.21  272.348  7280.58  277.337   83.030   1.6898   86.442   1.6528 -3.412827 2.363686 
1 1 1   -9    7   28 o   30.012   1.5626  890.898   90.210  793.718  131.567  977.121  123.928   28.429   2.3841   31.595   2.0206 -3.166019 3.125163 
1 1 1   -9    7   29 o   25.321   1.8802  630.792   92.028  717.968  135.492  556.133  125.389   26.948   2.5902   23.694   2.7262 3.254147 3.760489 
1 1 1   -9    7   30 o   44.283   1.2574  1927.96  107.865  1872.61  156.262  1978.33  149.080   43.657   1.8439   44.910   1.7100 -1.253708 2.514801 
1 1 1   -9    7   31 o   10.927   2.8613   70.937   88.381  199.466  132.568 -31.8948  118.578   13.654   4.3992   8.2005   3.6599 5.453547 5.722620 
1 1 1   -9    7   32 o   35.679   1.4853  1265.65  102.644  1347.34  151.467  1196.28  139.580   36.729   2.1245   34.630   2.0764 2.098171 2.970626 
1 1 1   -9    7   33 o   20.415   2.6167  461.635  100.132  378.664  143.536  540.291  139.754   18.183   4.1571   22.646   3.1791 -4.463280 5.233377 
1 1 1   -9    7   34 o   21.376   2.6264  510.603  106.607  552.868  155.849  473.435  146.148   22.398   3.5845   20.355   3.8396 2.043255 5.252759 
1 1 1   -9    8    1 o  160.404   1.1595 24972.97  347.455 24961.09  435.684 24993.74  575.898  160.356   1.3997  160.452   1.8490 -0.9655762E-01 2.319012 
1 1 1   -9    8    2 o  144.083   1.0546 20159.68  293.449 20224.19  395.798 20080.93  437.296  144.340   1.4126  143.826   1.5663 0.5144653 2.109203 
1 1 1   -9    8    3 o  103.309   0.8127 10363.70  162.819 10268.33  234.956 10451.81  225.837  102.852   1.1768  103.767   1.1212 -0.9153061 1.625397 
1 1 1   -9    8    4 o  247.626   1.3763 59514.20  661.458 58574.13  926.028 60493.50  945.153  245.630   1.9421  249.622   1.9505 -3.991730 2.752536 
1 1 1   -9    8    5 o  236.938   1.3533 54500.13  622.451 54222.53  878.118 54780.47  882.456  236.332   1.9141  237.544   1.9137 -1.212814 2.706695 
1 1 1   -9    8    6 o  236.735   1.3476 54404.27  619.256 53926.74  871.753 54890.67  879.823  235.686   1.9054  237.783   1.9061 -2.097076 2.695168 
1 1 1   -9    8    7 o  129.793   0.9546 16344.66  240.443 15945.71  335.688 16764.98  344.562  128.168   1.3492  131.419   1.3507 -3.251297 1.909121 
1 1 1   -9    8    8 o  322.103   1.8402 100796.00  1142.96 101162.30  1532.25 100336.60  1716.12  322.772   2.4455  321.434   2.7504 1.338562 3.680347 
1 1 1   -9    8    9 o   70.663   2.0161  4851.83  276.200  5156.95  392.166  4551.52  389.064   72.870   2.7724   68.457   2.9278 4.413353 4.032138 
1 1 1   -9    8   10 o  182.197   1.4339 32227.89  507.074 31587.05  714.091 32879.68  720.168  180.370   2.0395  184.025   2.0160 -3.654297 2.867727 
1 1 1   -9    8   11 o  288.520   1.7008 80839.45  952.545 81193.80  1344.50 80482.36  1349.72  289.155   2.3953  287.885   2.4152 1.270844 3.401610 
1 1 1   -9    8   12 o  111.637   1.6504 12030.26  319.420 11943.04  374.497 12263.08  611.882  110.912   1.7394  112.363   2.8053 -1.450912 3.300804 
1 1 1   -9    8   13 o  173.865   1.6544 29198.83  509.828 29750.95  941.139 28969.51  606.531  175.000   2.7705  172.731   1.8089 2.268997 3.308716 
1 1 1   -9    8   14 o  142.703   1.6175 19624.22  390.586 20096.87  777.951 19464.93  451.636  143.817   2.7866  141.588   1.6432 2.229126 3.235024 
1 1 1   -9    8   15 o  136.843   1.7156 18174.60  392.973 18237.32  791.528 18154.08  452.707  136.961   2.9772  136.725   1.7057 0.2356262 3.431173 
1 1 1   -9    8   16 o  107.831   1.7292 11165.44  279.310 11516.84  659.535 11088.65  308.323  108.804   3.1227  106.858   1.4864 1.945709 3.458405 
1 1 1   -9    8   17 o  140.504   1.8490 19361.42  430.474 18868.93  873.541 19519.38  494.714  139.251   3.2316  141.756   1.7978 -2.505569 3.698045 
1 1 1   -9    8   18 o  116.422   1.8138 13191.47  330.263 13174.54  730.911 13195.81  370.211  116.297   3.2377  116.547   1.6364 -0.2498856 3.627693 
1 1 1   -9    8   19 o   98.572   1.0748  9443.58  205.320  9373.18  298.500  9506.79  282.862   98.220   1.5656   98.923   1.4730 -0.7034836 2.149629 
1 1 1   -9    8   20 f   40.304   0.9940  1587.15   77.055  1503.92  115.337  1654.24  103.558   39.342   1.5103   41.267   1.2928 -1.925564 1.987983 
1 1 1   -9    8   21 o   36.148   1.0918  1270.26   75.799  1268.50  115.915  1271.57  100.188   36.123   1.6531   36.174   1.4268 -0.5109024E-01 2.183651 
1 1 1   -9    8   22 o  111.750   1.2055 12141.18  261.486 12292.65  372.630 11994.24  367.027  112.436   1.7073  111.063   1.7024 1.372543 2.411017 
1 1 1   -9    8   23 o   44.673   1.0282  1948.05   88.696  1843.93  130.165  2038.31  121.185   43.550   1.5397   45.796   1.3632 -2.246391 2.056471 
1 1 1   -9    8   24 o   19.130   2.0941  381.865   72.005  266.606  107.598  475.345   96.900   16.179   3.5257   22.081   2.2607 -5.902344 4.188204 
1 1 1   -9    8   25 o   82.519   1.1484  6623.51  183.720  6683.19  267.271  6570.06  252.957   82.867   1.6615   82.172   1.5858 0.6943817 2.296850 
1 1 1   -9    8   26 o   53.695   1.1146  2809.49  116.043  2718.66  166.410  2895.46  161.901   52.845   1.6222   54.546   1.5291 -1.700420 2.229262 
1 1 1   -9    8   27 o   60.579   1.1016  3581.53  129.277  3366.78  184.583  3788.29  181.116   58.785   1.6176   62.373   1.4959 -3.588425 2.203218 
1 1 1   -9    8   28 o   11.787   2.9071  121.351   85.640   50.210  127.412  179.979  115.665   10.233   4.1386   13.341   4.0838 -3.108063 5.814227 
1 1 1   -9    8   29 o   54.810   1.1310  2936.57  120.320  2914.02  168.698  2959.92  171.656   54.597   1.5917   55.022   1.6072 -0.4244385 2.261992 
1 1 1   -9    8   30 o   26.114   1.8662  673.537   93.956  724.485  143.205  635.031  124.498   26.949   2.7375   25.279   2.5371 1.670279 3.732409 
1 1 1   -9    8   31 f   32.030   1.5490  1008.79   95.702  1158.47  145.072  893.452  127.341   34.107   2.1912   29.953   2.1901 4.153902 3.098040 
1 1 1   -9    8   32 o   45.738   1.2972  2074.52  115.024  2088.02  167.175  2062.37  158.509   45.856   1.8781   45.620   1.7899 0.2353058 2.594392 
1 1 1   -9    8   33 o   27.294   1.9084  763.161  100.641  872.433  148.426  670.169  136.924   29.134   2.6245   25.453   2.7712 3.680954 3.816730 
1 1 1   -9    8   34 o   21.920   2.5352  535.599  103.692  650.473  149.372  428.750  144.059   24.633   3.1238   19.208   3.9939 5.425039 5.070434 
1 1 1   -9    9    1 o  337.848   1.6183 110669.70  1051.99 109687.60  1395.06 111964.30  1601.75  336.121   2.1381  339.576   2.4299 -3.455231 3.236687 
1 1 1   -9    9    2 o  185.522   1.1122 33398.51  398.235 33290.10  534.850 33533.38  596.571  185.186   1.4878  185.858   1.6535 -0.6722107 2.224388 
1 1 1   -9    9    3 o  240.277   1.3623 56048.51  635.385 56313.58  899.326 55784.32  897.816  240.844   1.9236  239.710   1.9295 1.134628 2.724534 
1 1 1   -9    9    4 o  124.200   0.8964 14971.58  216.113 15167.29  307.634 14780.88  303.665  125.001   1.2678  123.399   1.2677 1.602547 1.792886 
1 1 1   -9    9    5 o  191.757   1.1985 35695.25  446.121 35561.33  629.153 35830.68  632.681  191.396   1.6934  192.119   1.6965 -0.7233887 2.397007 
1 1 1   -9    9    6 o  237.470   1.3545 54746.02  624.375 54816.66  884.273 54675.78  881.731  237.622   1.9171  237.317   1.9140 0.3054504 2.708964 
1 1 1   -9    9    7 o  245.370   1.3695 58439.11  652.231 57738.88  913.622 59166.88  931.424  243.872   1.9299  246.868   1.9436 -2.996872 2.739044 
1 1 1   -9    9    8 o  148.920   1.3001 21531.16  375.785 21574.28  527.711 21486.79  535.251  149.072   1.8236  148.769   1.8534 0.3032074 2.600166 
1 1 1   -9    9    9 o  226.766   1.5216 49927.11  669.807 50179.63  950.970 49678.50  943.575  227.335   2.1549  226.197   2.1489 1.137787 3.043300 
1 1 1   -9    9   10 o   57.682   0.7264  3223.07   80.971  3296.73  120.938  3163.22  109.008   58.278   1.0690   57.086   0.9837 1.191925 1.452766 
1 1 1   -9    9   11 o  123.028   1.2100 14692.15  288.942 14907.40  411.964 14483.73  405.369  123.915   1.7127  122.141   1.7097 1.773468 2.419978 
1 1 1   -9    9   12 o  197.816   1.3844 38082.90  527.745 37221.11  790.888 38774.63  708.567  195.790   2.0809  199.843   1.8265 -4.053391 2.768849 
1 1 1   -9    9   13 o   84.517   1.7596  7180.58  207.901  6592.80  519.707  7292.57  226.842   82.363   3.2506   86.671   1.3483 -4.307686 3.519106 
1 1 1   -9    9   14 o  134.449   1.6116 17175.42  361.537 18309.04  742.522 16823.15  413.916  137.268   2.7866  131.630   1.6199 5.638901 3.223232 
1 1 1   -9    9   15 o   49.583   2.0687  2519.83  105.029  2241.17  371.394  2544.06  109.499   47.976   3.9879   51.191   1.1019 -3.214905 4.137358 
1 1 1   -9    9   16 o   47.497   2.7069  2519.81  106.337  1862.19  449.235  2558.85  109.447   43.655   5.3012   51.338   1.0982 -7.683044 5.413730 
1 1 1   -9    9   17 o  110.031   2.3486 12267.10  320.076 11164.15  920.432 12418.83  341.382  106.981   4.4322  113.081   1.5552 -6.099754 4.697139 
1 1 1   -9    9   18 o   69.897   2.1137  5015.98  171.114  4440.42  527.133  5083.77  180.911   67.442   4.0264   72.351   1.2881 -4.908852 4.227469 
1 1 1   -9    9   19 o  101.826   1.1266 10074.30  222.681 10103.64  316.675 10045.59  313.190  101.973   1.5998  101.680   1.5867 0.2924423 2.253243 
1 1 1   -9    9   20 o   26.760   5.1674  725.700  279.891  924.526  408.249  549.359  384.471   29.911   7.1317   23.608   7.4799 6.302191 10.33488 
1 1 1   -9    9   21 o   49.877   0.9517  2401.03   91.416  2540.13  139.845  2297.24  120.799   51.127   1.4091   48.627   1.2797 2.500862 1.903466 
1 1 1   -9    9   22 o   44.124   1.0292  1884.21   87.471  1954.71  133.249  1830.82  115.952   44.843   1.5307   43.405   1.3762 1.438091 2.058391 
1 1 1   -9    9   23 o   75.180   1.0273  5496.41  149.799  5435.71  215.563  5553.09  208.319   74.776   1.4851   75.584   1.4198 -0.8083038 2.054584 
1 1 1   -9    9   24 o   46.382   1.0576  2095.03   94.899  2056.23  139.355  2128.57  129.591   45.977   1.5614   46.787   1.4269 -0.8102303 2.115151 
1 1 1   -9    9   25 o   30.818   1.4224  915.926   84.579  1016.66  128.563  839.058  112.305   32.294   2.0508   29.343   1.9717 2.951210 2.844880 
1 1 1   -9    9   26 o  132.679   1.6794 17198.08  432.495 17259.42  616.376 17138.60  607.011  132.907   2.3891  132.452   2.3609 0.4557037 3.358793 
1 1 1   -9    9   27 o   58.249   1.0896  3313.37  122.764  3186.67  179.225  3425.35  168.500   57.187   1.6145   59.311   1.4635 -2.123665 2.179099 
1 1 1   -9    9   28 o   21.523   2.1606  455.343   86.170  608.351  131.189  339.236  114.280   24.839   2.7208   18.207   3.3572 6.632233 4.321275 
1 1 1   -9    9   29 o   21.858   2.2323  488.426   90.218  372.154  126.781  607.705  128.410   18.950   3.5776   24.766   2.6710 -5.816235 4.464693 
1 1 1   -9    9   30 o   31.493   1.6122  991.902   97.294  901.322  145.412  1065.32  130.915   30.119   2.4871   32.866   2.0520 -2.747204 3.224316 
1 1 1   -9    9   31 o   13.515   3.0414  191.086   92.182  259.010  133.740  129.610  127.233   15.307   4.3151   11.723   4.2872 3.584224 6.082816 
1 1 1   -9    9   32 o   14.001   2.7863  189.343   96.126  392.183  138.125  -1.1606  133.859   18.892   3.8959   9.1104   3.9843 9.781357 5.572515 
1 1 1   -9    9   33 o   33.351   1.6882  1137.33  108.800  1045.50  156.398  1223.45  151.454   31.950   2.5217   34.752   2.2451 -2.801228 3.376302 
1 1 1   -9    9   34 o   15.063   3.1369  278.956  101.297  200.877  146.000  351.428  140.661   13.006   4.6134   17.120   4.2518 -4.114500 6.273867 
1 1 1   -9   10    1 o  164.740   1.0531 26360.61  335.194 26511.04  453.422 26179.34  497.742  165.260   1.4134  164.221   1.5614 1.039429 2.106106 
1 1 1   -9   10    2 o  100.979   0.7637  9898.76  149.542  9922.05  206.830  9873.26  216.467  101.104   1.0539  100.855   1.1057 0.2492218 1.527463 
1 1 1   -9   10    3 o  143.792   1.0476 20076.55  291.422 20000.19  429.831 20141.51  396.454  143.538   1.5426  144.046   1.4178 -0.5079346 2.095238 
1 1 1   -9   10    4 o  181.772   1.1860 32073.16  418.487 31776.58  589.489 32374.51  594.200  180.925   1.6785  182.619   1.6762 -1.694290 2.372098 
1 1 1   -9   10    5 o  216.514   1.2996 45505.11  546.187 45161.19  766.904 45859.13  778.067  215.684   1.8317  217.344   1.8442 -1.659927 2.599263 
1 1 1   -9   10    6 o  285.322   1.5626 78997.88  860.559 78650.42  1155.69 79430.30  1289.27  284.623   2.0917  286.021   2.3221 -1.398010 3.125293 
1 1 1   -9   10    7 f  174.843   1.2823 29786.32  429.209 29001.68  659.728 30362.16  565.171  172.836   1.9664  176.851   1.6463 -4.014740 2.564550 
1 1 1   -9   10    8 f  108.700   1.0893 11469.39  229.834 11543.25  327.048 11397.32  323.058  109.045   1.5450  108.354   1.5359 0.6913147 2.178583 
1 1 1   -9   10    9 o  148.067   1.3162 21283.22  378.287 21143.90  531.347 21426.41  538.686  147.576   1.8548  148.558   1.8680 -0.9823303 2.632423 
1 1 1   -9   10   10 o  313.681   1.7394 95511.95  1058.93 93742.97  1478.68 97374.16  1517.15  310.702   2.4517  316.661   2.4681 -5.959381 3.478863 
1 1 1   -9   10   11 o   67.594   0.8429  4426.11  110.143  4531.19  164.196  4340.14  148.514   68.321   1.2381   66.866   1.1442 1.455139 1.685802 
1 1 1   -9   10   12 o  134.500   1.2063 17568.88  313.195 17507.36  467.968 17618.79  421.515  134.285   1.7953  134.715   1.6119 -0.4306641 2.412689 
1 1 1   -9   10   13 o  155.162   1.6466 23336.99  441.226 23485.09  847.746 23281.97  516.730  155.474   2.8089  154.849   1.7191 0.6245728 3.293220 
1 1 1   -9   10   14 o  175.466   1.7151 30030.66  534.083 29610.00  975.670 30210.64  638.191  174.552   2.8795  176.379   1.8640 -1.826614 3.430118 
1 1 1   -9   10   15 o  141.616   1.7391 19476.48  412.324 19518.36  829.991 19462.76  475.096  141.671   3.0181  141.561   1.7289 0.1090240 3.478193 
1 1 1   -9   10   16 o   80.980   1.7887  6454.62  194.463  6264.13  517.691  6485.91  209.829   80.231   3.3240   81.729   1.3226 -1.498520 3.577486 
1 1 1   -9   10   17 o  289.640   1.8612 81627.52  999.549 81397.27  1683.29 81752.94  1242.28  289.244   2.9980  290.035   2.2065 -0.7910767 3.722435 
1 1 1   -9   10   18 o   68.000   2.4363  4916.35  173.331  4039.17  585.522  5000.60  181.464   64.244   4.6951   71.755   1.3028 -7.511711 4.872527 
1 1 1   -9   10   19 o  120.691   1.8801 14108.23  355.652 14305.74  787.626 14057.64  398.604  121.110   3.3502  120.272   1.7073 0.8383942 3.760178 
1 1 1   -9   10   20 o   32.720   1.0896  1050.65   67.529  990.667  106.313  1091.22   87.433   31.925   1.7155   33.516   1.3439 -1.590366 2.179200 
1 1 1   -9   10   21 o  107.117   1.1860 11155.49  246.594 10991.16  348.130 11320.97  349.346  106.324   1.6867  107.909   1.6678 -1.585541 2.372014 
1 1 1   -9   10   22 o   38.303   1.0548  1431.82   77.105  1393.11  119.746  1459.25  100.777   37.853   1.6297   38.752   1.3397 -0.8989410 2.109627 
1 1 1   -9   10   23 o  112.541   1.2344 12319.73  269.572 12362.00  386.673 12279.75  376.015  112.726   1.7671  112.357   1.7240 0.3694000 2.468757 
1 1 1   -9   10   24 o  104.674   1.2519 10666.79  254.307 10415.33  359.843 10917.68  359.447  103.437   1.7921  105.910   1.7484 -2.472649 2.503706 
1 1 1   -9   10   25 o   56.641   1.0473  3113.95  113.989  3171.83  174.760  3071.10  150.381   57.089   1.5770   56.193   1.3786 0.8960304 2.094624 
1 1 1   -9   10   26 o   33.804   1.3822  1095.20   89.917  1277.78  138.382  961.793  118.291   36.199   1.9693   31.408   1.9402 4.791142 2.764495 
1 1 1   -9   10   27 o   77.318   1.1396  5830.18  170.757  5742.04  247.620  5910.09  235.788   76.750   1.6620   77.885   1.5596 -1.135056 2.279161 
1 1 1   -9   10   28 o   9.6002   2.7978   22.136   86.010   76.638  125.099 -26.7229  118.447   10.738   4.1770   8.4627   3.7233 2.275000 5.595552 
1 1 1   -9   10   29 o   26.269   1.8611  695.249   92.902  546.152  133.391  835.699  129.465   23.422   2.9338   29.116   2.2906 -5.693747 3.722126 
1 1 1   -9   10   30 o   11.090   2.8801   86.941   88.784 -13.4529  126.957  183.034  124.208   8.8808   3.8822   13.299   4.2555 -4.418492 5.760249 
1 1 1   -9   10   31 o   10.550   2.9761   77.488   91.864   68.025  133.234   86.063  126.832   10.434   4.2278   10.667   4.1898 -0.2323103 5.952201 
1 1 1   -9   10   32 o   36.080   1.4968  1303.16  104.741  1277.69  150.298  1327.22  146.046   35.710   2.1682   36.449   2.0641 -0.7390175 2.993580 
1 1 1   -9   10   33 o   31.218   1.8053  999.463  109.355  1032.37  157.484  968.819  151.965   31.711   2.5584   30.726   2.5478 0.9846840 3.610665 
1 1 1   -9   10   34 o   24.229   2.3045  639.692  106.548  512.231  149.149  772.532  152.264   21.491   3.5753   26.968   2.9086 -5.477049 4.608979 
1 1 1   -9   11    1 o   99.177   0.7661  9551.65  147.349  9653.58  204.723  9442.09  212.248   99.727   1.0575   98.628   1.1086 1.098816 1.532111 
1 1 1   -9   11    2 o  309.173   1.5478 92694.59  912.426 92222.80  1182.62 93388.43  1434.19  308.211   1.9767  310.135   2.3823 -1.924408 3.095548 
1 1 1   -9   11    3 f  251.274   1.3624 61248.99  663.297 60556.70  908.275 62040.11  970.944  249.756   1.8734  252.793   1.9786 -3.037308 2.724828 
1 1 1   -9   11    4 o  298.632   1.5861 86605.80  916.080 86346.59  1353.55 86824.90  1244.39  298.215   2.3382  299.048   2.1436 -0.8330994 3.172109 
1 1 1   -9   11    5 f  230.473   1.3302 51567.72  595.099 51657.44  840.206 51477.41  842.995  230.674   1.8764  230.272   1.8859 0.4025726 2.660346 
1 1 1   -9   11    6 f  113.742   0.8682 12557.91  191.686 12540.70  269.765 12575.47  272.424  113.663   1.2226  113.821   1.2330 -0.1573868 1.736408 
1 1 1   -9   11    7 o  348.398   1.7845 117848.00  1206.69 116711.20  1690.25 119029.60  1723.26  346.686   2.5116  350.111   2.5356 -3.424866 3.568944 
1 1 1   -9   11    8 o   78.328   0.8893  5948.81  135.059  6088.64  196.659  5823.99  185.809   79.198   1.2792   77.458   1.2358 1.739983 1.778599 
1 1 1   -9   11    9 o   38.161   0.6513  1433.59   46.055  1344.35   76.416  1484.50   57.714   37.215   1.0578   39.108   0.7602 -1.892628 1.302653 
1 1 1   -9   11   10 o  181.582   1.4319 32014.01  504.700 31747.32  713.483 32281.11  714.026  180.825   2.0326  182.339   2.0173 -1.514343 2.863755 
1 1 1   -9   11   11 o   64.270   0.7112  4016.12   81.583  3992.71  147.876  4026.36   97.816   64.134   1.1878   64.406   0.7824 -0.2721634 1.422327 
1 1 1   -9   11   12 o  166.737   1.3063 27008.04  420.650 26843.97  626.347 27142.84  567.738  166.273   1.9406  167.202   1.7492 -0.9291534 2.612572 
1 1 1   -9   11   13 o  320.299   1.7872 99544.66  1064.98 100054.90  1783.81 99262.09  1327.55  320.897   2.8636  319.700   2.1391 1.197296 3.574401 
1 1 1   -9   11   14 o  126.977   1.7401 15865.47  358.176 15299.07  748.065 16033.94  407.981  125.452   3.0718  128.501   1.6356 -3.048912 3.480108 
1 1 1   -9   11   15 f  203.805   1.7375 40153.03  633.430 40927.15  1150.70 39816.47  758.732  205.154   2.8895  202.456   1.9306 2.697662 3.475083 
1 1 1   -9   11   16 f  112.908   1.7342 12169.60  300.242 12753.74  690.424 12033.38  333.418  114.501   3.1063  111.315   1.5430 3.185371 3.468426 
1 1 1   -9   11   17 o  181.976   1.8464 32461.97  597.053 31556.69  1084.22 32855.96  715.273  180.068   3.1018  183.883   2.0038 -3.815353 3.692794 
1 1 1   -9   11   18 o   70.595   2.3247  5019.75  174.296  4665.79  598.403  5052.56  182.196   69.064   4.4635   72.126   1.3013 -3.062134 4.649329 
1 1 1   -9   11   19 o   79.347   1.9658  6218.62  199.294  6016.63  561.563  6247.73  213.169   78.496   3.6854   80.198   1.3693 -1.701431 3.931550 
1 1 1   -9   11   20 o   97.044   1.1239  9146.44  211.559  8665.53  295.568  9651.67  302.948   94.428   1.6125   99.660   1.5660 -5.231842 2.247730 
1 1 1   -9   11   21 f   48.584   0.9470  2279.07   88.394  2390.77  136.459  2198.30  116.027   49.601   1.4173   47.568   1.2565 2.032223 1.894079 
1 1 1   -9   11   22 o  113.017   1.2274 12419.24  269.201 12532.17  385.611 12311.87  375.986  113.517   1.7500  112.518   1.7214 0.9985199 2.454706 
1 1 1   -9   11   23 o   71.224   1.0119  4937.60  139.654  4807.12  202.073  5056.90  193.224   70.318   1.4804   72.129   1.3800 -1.811516 2.023856 
1 1 1   -9   11   24 o   24.796   1.6741  590.812   79.701  660.357  124.352  542.326  103.831   26.010   2.4629   23.581   2.2682 2.428753 3.348243 
1 1 1   -9   11   25 o   42.578   6.6161  2195.50  520.972  1297.50  913.387  2628.51  634.260   34.276   11.569   50.881   6.4217 -16.60485 13.23212 
1 1 1   -9   11   26 o   26.388   1.6826  678.346   84.317  691.132  134.475  670.063  108.236   26.574   2.6068   26.202   2.1280 0.3720379 3.365104 
1 1 1   -9   11   27 o   57.827   1.0782  3266.67  120.684  3020.64  172.187  3504.24  169.199   55.671   1.5933   59.983   1.4531 -4.312008 2.156445 
1 1 1   -9   11   28 o   11.859   2.9681  119.352   84.706  165.220  133.339   88.317  109.680   13.110   4.4204   10.608   3.9622 2.501585 5.936252 
1 1 1   -9   11   29 o   48.926   1.1581  2329.91  109.514  2472.47  164.298  2215.93  146.909   50.254   1.6842   47.598   1.5900 2.656330 2.316175 
1 1 1   -9   11   30 o   9.5342   2.8512   22.764   89.909   8.9381  141.202   32.192  116.601   9.7059   4.1685   9.3626   3.8911 0.3433075 5.702401 
1 1 1   -9   11   31 o   21.093   2.4907  523.157   90.794  271.212  139.390  708.828  119.661   15.582   4.4098   26.605   2.3170 -11.02330 4.981466 
1 1 1   -9   11   32 o   28.457   1.7205  814.281   94.714  873.309  141.290  766.108  127.640   29.367   2.4785   27.547   2.3870 1.819887 3.441058 
1 1 1   -9   11   33 o   16.003   3.0540  300.964  100.954  400.448  142.993  202.095  142.550   18.716   4.0532   13.289   4.5694 5.427065 6.107976 
1 1 1   -9   11   34 o   11.295   2.9762   67.383  106.384  284.724  153.798 -132.0100  147.310   15.003   4.7284   7.5869   3.6158 7.415686 5.952465 
1 1 1   -9   12    1 o  160.073   1.0457 24865.16  323.610 24784.31  437.965 24962.38  480.260  159.788   1.4120  160.359   1.5428 -0.5710297 2.091421 
1 1 1   -9   12    2 o  265.227   1.3898 68233.86  713.702 67500.94  972.413 69089.70  1050.79  263.686   1.8998  266.767   2.0292 -3.080811 2.779680 
1 1 1   -9   12    3 o  263.571   1.3933 67356.55  710.735 66364.85  965.327 68530.53  1050.30  261.458   1.9020  265.685   2.0365 -4.227295 2.786550 
1 1 1   -9   12    4 o  438.304   1.9670 186639.80  1671.97 184419.00  2409.57 188702.09  2321.93  435.783   2.8484  440.826   2.7134 -5.042267 3.933969 
1 1 1   -9   12    5 o  256.488   1.5043 63854.36  742.938 63742.80  989.383 63998.59  1124.98  256.236   1.9891  256.739   2.2573 -0.5037231 3.008635 
1 1 1   -9   12    6 o  233.996   1.3505 53157.54  613.446 53331.09  869.094 52985.20  866.002  234.377   1.9102  233.616   1.9096 0.7612610 2.701060 
1 1 1   -9   12    7 o  143.987   1.1633 20161.44  318.165 19956.43  503.716 20297.52  410.395  143.374   1.8099  144.600   1.4621 -1.226425 2.326658 
1 1 1   -9   12    8 o  155.325   1.3116 23423.16  395.464 23493.80  557.421 23351.58  561.139  155.561   1.8459  155.089   1.8639 0.4719543 2.623289 
1 1 1   -9   12    9 o  253.276   1.6095 62275.71  791.220 61430.28  1109.10 63151.88  1129.08  251.526   2.2715  255.026   2.2807 -3.499756 3.218954 
1 1 1   -9   12   10 o  109.666   1.1571 11664.44  246.195 12028.65  355.334 11328.18  341.428  111.311   1.6445  108.021   1.6283 3.289360 2.314227 
1 1 1   -9   12   11 f  259.640   1.4723 65274.83  716.123 66145.37  1182.77 64771.01  899.794  260.989   2.3346  258.290   1.7946 2.698883 2.944656 
1 1 1   -9   12   12 o  187.429   1.3999 34166.66  504.951 33682.73  763.072 34543.66  673.502  186.241   2.1107  188.618   1.8395 -2.376740 2.799761 
1 1 1   -9   12   13 o  116.126   1.6954 13146.29  306.471 13019.31  681.334 13178.50  343.145  115.745   3.0324  116.506   1.5173 -0.7602386 3.390836 
1 1 1   -9   12   14 o   47.372   2.3903  2411.80   96.560  1938.53  404.366  2440.42   99.436   44.605   4.6701   50.139   1.0217 -5.533901 4.780535 
1 1 1   -9   12   15 o  103.089   1.6990 10306.80  261.129 10363.03  616.430 10294.50  288.272  103.216   3.0766  102.963   1.4423 0.2531586 3.397907 
1 1 1   -9   12   16 o  129.245   1.7560 16335.38  367.475 16057.46  772.461 16416.68  417.777  128.478   3.0973  130.012   1.6554 -1.534195 3.511906 
1 1 1   -9   12   17 o  109.433   1.9182 11959.00  306.969 11180.08  728.797 12127.00  338.456  107.127   3.5046  111.738   1.5604 -4.610191 3.836303 
1 1 1   -9   12   18 o  147.789   1.7968 20913.10  443.919 21930.01  905.347 20591.22  509.352  150.020   3.1089  145.558   1.8027 4.462067 3.593685 
1 1 1   -9   12   19 o  143.589   1.8779 20195.43  448.476 19844.55  906.693 20309.08  516.020  142.637   3.2746  144.540   1.8391 -1.903030 3.755735 
1 1 1   -9   12   20 o  115.244   1.1911 12910.22  266.420 12844.88  379.876 12973.47  373.749  114.955   1.7023  115.533   1.6665 -0.5775146 2.382277 
1 1 1   -9   12   21 o   79.327   1.0168  6093.39  156.054  6371.86  232.271  5864.26  210.692   80.970   1.4778   77.684   1.3972 3.286613 2.033685 
1 1 1   -9   12   22 o   46.417   0.9959  2067.70   88.781  2268.83  138.130  1926.13  115.888   48.313   1.4728   44.521   1.3409 3.792603 1.991824 
1 1 1   -9   12   23 o   54.262   0.9934  2869.46  103.266  2815.34  158.639  2909.25  136.033   53.810   1.5187   54.714   1.2808 -0.9040680 1.986705 
1 1 1   -9   12   24 o   74.769   1.0719  5421.41  154.492  5570.65  234.024  5306.14  205.680   75.669   1.5932   73.868   1.4344 1.801773 2.143796 
1 1 1   -9   12   25 o   56.702   1.0399  3128.45  113.452  3125.99  172.212  3130.34  150.802   56.673   1.5654   56.731   1.3694 -0.5790329E-01 2.079824 
1 1 1   -9   12   26 o   29.365   1.5296  874.307   83.299  709.765  131.363  984.964  107.726   26.935   2.5124   31.795   1.7454 -4.859896 3.059156 
1 1 1   -9   12   27 o   61.841   1.1037  3728.83  131.959  3710.97  195.284  3743.84  179.012   61.693   1.6307   61.989   1.4877 -0.2962914 2.207313 
1 1 1   -9   12   28 o   9.1954   2.7409   15.035   83.427  -9.1932  128.004   32.927  110.000   9.1053   3.9399   9.2856   3.8113 -0.1803074 5.481710 
1 1 1   -9   12   29 f   19.223   2.4588  374.027   88.264  511.545  132.247  263.565  118.526   22.639   3.0093   15.808   3.8892 6.830799 4.917520 
1 1 1   -9   12   30 o   16.505   2.6819  275.453   84.954  416.386  134.146  181.080  109.772   19.897   3.6059   13.112   3.9710 6.785685 5.363873 
1 1 1   -9   12   31 o   26.663   1.7447  715.803   88.388  714.089  139.761  716.945  114.104   26.536   2.7132   26.789   2.1942 -0.2524700 3.489424 
1 1 1   -9   12   32 o   9.7486   2.8535   49.939   87.286   67.651  134.152   36.935  114.945   10.308   4.2175   9.1891   3.8449 1.118980 5.707018 
1 1 1   -9   12   33 o   8.0156   2.6115 -64.0561   93.979 -81.7742  139.409 -49.2968  127.237   8.0063   3.7207   8.0250   3.6654 -0.1866055E-01 5.222926 
1 1 1   -9   12   34 o   17.008   3.0363  355.892  105.086  226.783  147.486  489.028  149.768   13.527   4.6480   20.489   3.9081 -6.961995 6.072699 
1 1 1   -9   13    1 o  250.999   1.3105 61157.80  632.394 61134.28  838.188 61188.88  963.536  250.947   1.7207  251.052   1.9771 -0.1042328 2.621025 
1 1 1   -9   13    2 o  353.615   1.6228 121310.50  1092.73 120911.90  1412.93 121903.80  1723.70  352.904   2.0625  354.325   2.5061 -1.421051 3.245677 
1 1 1   -9   13    3 o  167.439   1.0689 27229.89  345.914 27372.71  468.516 27058.74  512.882  167.924   1.4373  166.955   1.5825 0.9682465 2.137812 
1 1 1   -9   13    4 o  100.846   0.7746  9871.52  151.640  9848.60  214.319  9894.50  214.584  100.728   1.0961  100.963   1.0949 -0.2344208 1.549254 
1 1 1   -9   13    5 o  273.082   1.5389 72443.34  812.018 72000.36  1205.80 72810.93  1098.43  272.313   2.2811  273.851   2.0663 -1.537720 3.077812 
1 1 1   -9   13    6 o  129.747   1.0765 16365.00  264.512 16447.92  339.190 16236.31  422.553  130.169   1.3424  129.324   1.6832 0.8451233 2.152930 
1 1 1   -9   13    7 o  286.069   1.6583 79452.30  920.809 80468.66  1311.30 78463.63  1293.32  287.874   2.3466  284.265   2.3438 3.608948 3.316594 
1 1 1   -9   13    8 o  233.662   1.5497 53010.56  702.838 52900.34  986.105 53124.36  1002.01  233.416   2.1763  233.908   2.2068 -0.4924774 3.099426 
1 1 1   -9   13    9 o  255.025   1.6146 63152.53  799.307 63549.57  1131.31 62756.77  1129.47  255.826   2.2781  254.224   2.2887 1.601273 3.229240 
1 1 1   -9   13   10 o  143.464   1.1318 19906.10  301.516 20239.25  508.620 19725.59  374.395  144.381   1.8148  142.547   1.3530 1.833908 2.263626 
1 1 1   -9   13   11 o  273.307   1.5099 72394.86  775.765 73074.42  1269.04 71989.38  980.248  274.315   2.3832  272.299   1.8545 2.015472 3.019727 
1 1 1   -9   13   12 o   95.255   1.0588  8771.22  194.566  9135.57  294.408  8488.71  259.248   97.003   1.5635   93.508   1.4282 3.494904 2.117651 
1 1 1   -9   13   13 o  118.674   1.7161 13891.58  327.952 13303.72  690.165 14063.03  372.719  116.999   3.0388  120.349   1.5954 -3.350220 3.432176 
1 1 1   -9   13   14 o  236.777   1.7414 54591.62  754.406 54136.47  1304.41 54820.39  924.756  235.987   2.8475  237.566   2.0053 -1.579605 3.482728 
1 1 1   -9   13   15 o  108.882   1.6889 11431.99  283.032 11670.97  643.518 11374.67  315.150  109.537   3.0265  108.227   1.5001 1.310349 3.377821 
1 1 1   -9   13   16 o  153.005   1.7783 22942.13  465.255 22364.88  900.594 23152.27  543.382  151.626   3.0598  154.385   1.8132 -2.759583 3.556656 
1 1 1   -9   13   17 o   94.157   2.0962  9039.77  267.406  8063.78  688.581  9213.10  290.180   90.923   3.9014   97.391   1.5349 -6.467987 4.192453 
1 1 1   -9   13   18 o  136.385   1.8268 18185.15  408.385 17952.31  844.362 18256.25  466.590  135.710   3.2052  137.059   1.7537 -1.349792 3.653595 
1 1 1   -9   13   19 o   86.875   2.3015  7848.54  244.536  6748.25  702.253  8000.37  260.862   83.008   4.3582   90.742   1.4809 -7.734558 4.602959 
1 1 1   -9   13   20 o   29.861   3.6180  1004.09   87.349  774.072  379.976  1016.92   89.752   27.370   7.0935   32.351   1.4292 -4.981020 7.236090 
1 1 1   -9   13   21 o  108.511   1.2224 11456.46  257.321 11174.77  367.484 11727.45  360.433  107.198   1.7660  109.825   1.6907 -2.627686 2.444803 
1 1 1   -9   13   22 o   96.082   1.1207  8976.66  208.894  8943.68  300.409  9007.53  290.673   95.908   1.6136   96.256   1.5557 -0.3477325 2.241370 
1 1 1   -9   13   23 o   55.548   1.0288  3023.84  109.809  2797.24  163.668  3209.35  148.085   53.632   1.5721   57.463   1.3276 -3.831131 2.057638 
1 1 1   -9   13   24 o   27.942   1.5223  775.938   79.859  696.692  126.719  828.147  102.855   26.718   2.4432   29.166   1.8167 -2.447559 3.044641 
1 1 1   -9   13   25 o   49.794   1.0751  2412.38  102.820  2415.20  157.280  2410.28  135.876   49.810   1.6266   49.778   1.4062 0.3208160E-01 2.150196 
1 1 1   -9   13   26 o   63.318   1.0834  3876.46  131.863  4085.87  203.268  3724.29  173.269   64.773   1.6166   61.862   1.4429 2.911316 2.166884 
1 1 1   -9   13   27 o  102.087   1.3373 10165.96  264.793  9644.45  367.091 10731.64  382.320   99.357   1.9033  104.816   1.8790 -5.459251 2.674573 
1 1 1   -9   13   28 o   39.054   1.3031  1488.77   98.340  1697.45  142.821  1300.63  135.605   41.663   1.7659   36.445   1.9168 5.217842 2.606258 
1 1 1   -9   13   29 o   26.473   1.8345  691.479   93.944  735.080  140.116  655.872  126.621   27.215   2.6523   25.731   2.5350 1.483452 3.668923 
1 1 1   -9   13   30 o   24.064   1.9826  571.787   91.778  673.789  141.319  497.384  120.696   25.885   2.8125   22.244   2.7952 3.640326 3.965244 
1 1 1   -9   13   31 o   19.302   2.4334  395.486   86.587  383.704  137.998  403.137  111.200   18.728   3.9216   19.875   2.8823 -1.146486 4.866869 
1 1 1   -9   13   32 o   27.500   1.7863  764.073   93.989  798.710  147.009  740.128  122.235   27.928   2.7117   27.072   2.3260 0.8564720 3.572617 
1 1 1   -9   13   33 o   10.627   2.9888   78.205   93.272  165.439  146.157   18.270  121.148   12.377   4.5835   8.8766   3.8370 3.500787 5.977519 
1 1 1   -9   13   34 o   15.006   3.2207  283.944  101.964  277.320  151.588  289.418  137.794   14.749   4.6993   15.263   4.4056 -0.5144463 6.441483 
1 1 1   -9   14    1 o  178.039   1.0891 30738.26  373.908 30494.43  499.897 31047.91  563.342  177.240   1.4530  178.838   1.6227 -1.598022 2.178158 
1 1 1   -9   14    2 o  190.671   1.1611 35277.84  426.885 35164.36  571.227 35421.40  642.444  190.326   1.5461  191.016   1.7326 -0.6903229 2.322161 
1 1 1   -9   14    3 o  241.002   1.3473 56405.96  629.830 56891.33  876.187 55887.01  905.989  242.077   1.8646  239.928   1.9453 2.148819 2.694561 
1 1 1   -9   14    4 o   30.592   0.5455  889.837   28.724  948.510   56.255  869.144   33.407   31.260   0.9270   29.924   0.5751 1.335823 1.090953 
1 1 1   -9   14    5 o  133.882   0.9654 17388.22  249.928 17271.74  338.416 17527.97  370.689  133.390   1.3070  134.374   1.4211 -0.9842072 1.930731 
1 1 1   -9   14    6 o  166.949   1.1135 27055.96  360.837 27459.33  512.228 26658.61  508.394  168.184   1.5690  165.714   1.5804 2.470520 2.226973 
1 1 1   -9   14    7 o  214.970   1.4115 44916.18  583.247 44509.82  887.134 45225.54  774.052  214.108   2.1345  215.832   1.8475 -1.724319 2.823001 
1 1 1   -9   14    8 o   93.919   1.0245  8560.66  186.746  8677.09  267.069  8449.26  261.227   94.544   1.4552   93.294   1.4424 1.249321 2.048966 
1 1 1   -9   14    9 o  273.731   1.7972 72443.05  940.250 70975.48  1220.95 74581.76  1473.92  270.352   2.3265  277.109   2.7400 -6.756866 3.594498 
1 1 1   -9   14   10 o  358.388   1.7285 124456.80  1192.91 126889.70  1812.67 122598.20  1584.36  361.459   2.5834  355.317   2.2971 6.141479 3.456954 
1 1 1   -9   14   11 o  134.378   1.1688 17570.71  303.436 17095.26  448.228 17972.94  412.270  132.695   1.7401  136.062   1.5609 -3.367767 2.337624 
1 1 1   -9   14   12 o   80.423   0.9188  6288.69  143.171  6083.55  206.806  6477.49  198.403   79.161   1.3458   81.685   1.2512 -2.524132 1.837622 
1 1 1   -9   14   13 o  132.751   1.6630 17279.97  366.263 16808.91  741.614 17431.93  421.217  131.513   2.9050  133.988   1.6195 -2.475494 3.325910 
1 1 1   -9   14   14 o  174.012   1.6993 29450.96  521.491 29364.32  965.708 29486.63  619.599  173.786   2.8626  174.237   1.8319 -0.4508972 3.398613 
1 1 1   -9   14   15 o   90.947   1.8115  8267.99  234.020  7709.65  575.846  8378.45  256.124   89.007   3.3329   92.888   1.4205 -3.881264 3.622947 
1 1 1   -9   14   16 f   53.613   2.3917  2909.37  112.569  2674.85  473.373  2923.43  115.893   52.352   4.6581   54.874   1.0880 -2.521637 4.783447 
1 1 1   -9   14   17 o  140.567   1.8132 19128.01  423.575 19405.02  864.427 19040.49  485.908  141.150   3.1549  139.984   1.7882 1.166061 3.626417 
1 1 1   -9   14   18 o  208.804   1.8230 42319.89  679.814 42734.34  1235.37 42139.88  814.175  209.421   3.0389  208.187   2.0146 1.233261 3.646027 
1 1 1   -9   14   19 o   76.013   2.3223  5777.20  196.198  5467.89  643.407  5808.91  206.010   74.699   4.4372   77.327   1.3724 -2.627922 4.644578 
1 1 1   -9   14   20 o   58.282   2.7785  3963.08  152.290  2647.33  544.163  4074.89  158.629   51.798   5.4120   64.766   1.2617 -12.96795 5.557086 
1 1 1   -9   14   21 o   43.322   3.9158  1862.85  326.654  1583.34  458.728  2150.37  465.258   39.956   5.9144   46.687   5.1337 -6.731281 7.831654 
1 1 1   -9   14   22 o   87.123   1.0749  7366.57  181.332  7547.51  267.373  7212.47  246.751   88.107   1.5633   86.138   1.4757 1.969742 2.149791 
1 1 1   -9   14   23 o   56.988   1.0185  3149.00  111.000  3206.02  173.222  3109.27  144.586   57.417   1.5542   56.559   1.3169 0.8573341 2.037086 
1 1 1   -9   14   24 o   23.729   1.7641  532.642   79.876  648.638  128.133  458.915  102.153   25.773   2.5611   21.685   2.4267 4.087793 3.528203 
1 1 1   -9   14   25 f   85.150   1.1702  7067.99  193.163  6736.84  275.508  7388.15  270.897   83.178   1.7063   87.123   1.6018 -3.944702 2.340365 
1 1 1   -9   14   26 o   36.649   1.3124  1316.81   91.634  1270.16  142.716  1349.53  119.525   36.076   2.0379   37.221   1.6543 -1.144817 2.624827 
1 1 1   -9   14   27 o   62.918   1.1182  3859.85  135.561  3867.94  204.624  3853.53  180.971   62.959   1.6743   62.878   1.4827 0.8113480E-01 2.236431 
1 1 1   -9   14   28 f   23.513   1.9013  552.538   85.753  480.811  125.235  615.856  117.666   22.020   2.9298   25.005   2.4241 -2.984903 3.802630 
1 1 1   -9   14   29 o   36.251   1.3476  1275.47   93.808  1392.22  145.911  1193.22  122.474   37.626   1.9977   34.875   1.8091 2.751865 2.695132 
1 1 1   -9   14   30 o   23.482   1.9536  543.313   88.006  633.078  137.947  481.702  114.285   25.062   2.8355   21.902   2.6880 3.159563 3.907111 
1 1 1   -9   14   31 o   34.522   1.4875  1180.26   99.242  1277.79  149.174  1102.81  132.927   35.772   2.1482   33.271   2.0582 2.501183 2.975043 
1 1 1   -9   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   14   33 o   9.5218   2.8099   30.040   93.770 -88.6337  143.270  118.970  124.023   8.0242   3.7433   11.019   4.1917 -2.995239 5.619852 
1 1 1   -9   14   34 o   25.864   2.0289  702.168  100.995  824.069  155.054  612.340  133.102   27.775   2.8758   23.952   2.8627 3.822525 4.057750 
1 1 1   -9   15    1 o   42.503   0.5828  1753.84   48.070  1777.65   67.558  1729.43   68.414   42.795   0.8132   42.211   0.8349 0.5844765 1.165540 
1 1 1   -9   15    2 o   55.364   0.6410  2977.41   63.675  2981.01   76.631  2969.37  114.449   55.419   0.7123   55.309   1.0660 0.1096077 1.282083 
1 1 1   -9   15    3 o  105.866   0.8111 10869.55  166.358 10734.10  227.577 11024.99  243.790  105.159   1.1149  106.573   1.1784 -1.414780 1.622214 
1 1 1   -9   15    4 o  233.385   1.2735 52905.57  572.293 53085.01  763.034 52674.83  865.260  233.842   1.6810  232.929   1.9136 0.9125977 2.547078 
1 1 1   -9   15    5 o   93.596   0.8719  8517.99  150.741  8550.86  186.625  8456.28  255.682   93.858   1.0243   93.334   1.4112 0.5239639 1.743786 
1 1 1   -9   15    6 o  193.482   1.1762 36284.92  438.124 35905.71  581.939 36781.10  665.670  192.319   1.5588  194.644   1.7618 -2.325119 2.352386 
1 1 1   -9   15    7 o  108.950   1.0364 11500.98  206.663 11588.41  358.556 11457.49  252.896  109.256   1.6906  108.643   1.1992 0.6127625 2.072722 
1 1 1   -9   15    8 o   43.540   0.6717  1860.55   54.076  1771.72   90.528  1909.82   67.427   42.723   1.0916   44.358   0.7831 -1.634876 1.343415 
1 1 1   -9   15    9 o  114.676   1.0123 12958.99  216.349 12049.70  353.481 13503.66  273.576  111.408   1.6345  117.945   1.1949 -6.537056 2.024698 
1 1 1   -9   15   10 o  182.237   1.2879 32201.48  438.763 32398.99  727.024 32088.34  550.270  182.668   2.0503  181.805   1.5592 0.8628845 2.575833 
1 1 1   -9   15   11 o  130.545   1.1011 16646.49  266.731 16197.98  445.697 16896.76  332.933  129.161   1.7776  131.929   1.3000 -2.767899 2.202278 
1 1 1   -9   15   12 f  262.350   1.5584 66875.20  783.729 66669.95  1206.48 67025.05  1030.85  261.988   2.3723  262.712   2.0214 -0.7242432 3.116707 
1 1 1   -9   15   13 o   47.840   0.7551  2197.15   68.986  2354.49  109.314  2093.01   88.931   49.247   1.1435   46.434   0.9866 2.813679 1.510298 
1 1 1   -9   15   14 o   47.140   2.3179  2456.78   96.149  1850.05  382.578  2497.69   99.338   43.558   4.5247   50.723   1.0089 -7.164562 4.635790 
1 1 1   -9   15   15 o  144.994   1.7347 20207.85  426.621 20899.43  848.547 19973.90  493.533  146.586   2.9821  143.401   1.7730 3.185242 3.469308 
1 1 1   -9   15   16 o   30.994   3.1614  790.950   64.548  1143.31  390.412  781.047   65.449   33.625   6.2100   28.362   1.1888 5.263292 6.322778 
1 1 1   -9   15   17 o   73.271   2.2089  5759.34  191.273  4585.49  559.667  5914.58  203.528   68.505   4.2086   78.036   1.3436 -9.530907 4.417891 
1 1 1   -9   15   18 o   70.842   2.2696  5278.05  182.342  4430.51  566.747  5375.91  192.582   67.290   4.3388   74.395   1.3335 -7.104736 4.539158 
1 1 1   -9   15   19 o  113.832   1.9874 12873.76  336.935 12238.13  784.631 13017.46  373.085  111.932   3.6111  115.732   1.6607 -3.799271 3.974704 
1 1 1   -9   15   20 o   53.187   2.8189  2831.50  122.460  2705.19  559.596  2837.85  125.502   52.323   5.5095   54.050   1.1962 -1.726139 5.637870 
1 1 1   -9   15   21 o   39.793   1.0387  1552.32   77.021  1490.41  127.005  1588.34   96.866   39.152   1.6711   40.434   1.2341 -1.282082 2.077430 
1 1 1   -9   15   22 o  151.358   1.4725 22314.95  430.720 22192.40  639.017 22416.99  583.079  150.954   2.1807  151.762   1.9792 -0.8074188 2.945002 
1 1 1   -9   15   23 o   75.794   1.0618  5554.41  155.114  5845.94  236.089  5332.99  205.755   77.527   1.5688   74.060   1.4312 3.466263 2.123523 
1 1 1   -9   15   24 o   51.629   1.0556  2622.65  103.154  2448.46  162.210  2740.93  133.663   50.159   1.6659   53.098   1.2968 -2.939106 2.111164 
1 1 1   -9   15   25 o   21.007   2.2400  500.474   78.060  281.796  127.562  631.385   98.698   16.566   4.0099   25.448   1.9979 -8.882404 4.480061 
1 1 1   -9   15   26 o   93.684   1.2469  8547.23  225.079  8619.06  340.243  8491.33  300.137   94.010   1.8644   93.358   1.6562 0.6522675 2.493795 
1 1 1   -9   15   27 o   54.593   1.1579  2916.27  121.667  2843.78  183.141  2973.55  162.779   53.963   1.7483   55.222   1.5185 -1.259052 2.315721 
1 1 1   -9   15   28 o   24.544   1.9180  606.758   89.497  525.966  135.010  670.091  119.534   23.003   3.0235   26.084   2.3607 -3.081205 3.835969 
1 1 1   -9   15   29 o   35.162   1.4114  1180.40   94.554  1408.66  152.674  1038.37  120.429   37.818   2.0797   32.506   1.9085 5.311371 2.822707 
1 1 1   -9   15   30 o   27.795   1.6472  771.349   85.985  764.885  140.072  775.257  108.923   27.607   2.6138   27.983   2.0052 -0.3766003 3.294332 
1 1 1   -9   15   31 o   31.816   1.5850  1021.67   96.055  964.184  148.394  1063.13  126.016   30.935   2.4712   32.697   1.9854 -1.761818 3.169976 
1 1 1   -9   15   32 o   26.828   1.9874  756.047  101.237  625.128  149.222  867.689  137.799   24.435   3.1460   29.221   2.4293 -4.786678 3.974789 
1 1 1   -9   15   33 o   13.558   3.1434  217.980   97.075  173.616  146.280  252.895  129.769   12.506   4.5934   14.610   4.2923 -2.104291 6.286745 
1 1 1   -9   15   34 o   18.945   2.8684  430.054  100.845  414.482  158.195  440.714  130.888   18.234   4.4974   19.657   3.5614 -1.422884 5.736754 
1 1 1   -9   16    1 o  168.750   1.0332 27627.05  338.364 26889.09  471.809 28408.52  485.522  166.431   1.4604  171.069   1.4621 -4.637650 2.066498 
1 1 1   -9   16    2 o  209.190   1.2222 42491.89  492.573 42553.48  657.765 42413.24  743.250  209.366   1.6184  209.015   1.8319 0.3511963 2.444401 
1 1 1   -9   16    3 o  206.362   1.2085 41295.39  480.478 40967.45  640.261 41718.15  726.964  205.428   1.6056  207.296   1.8066 -1.868134 2.416948 
1 1 1   -9   16    4 o  128.730   0.9299 16081.99  231.609 16034.82  314.852 16137.62  341.908  128.525   1.2620  128.935   1.3661 -0.4099426 1.859773 
1 1 1   -9   16    5 o  330.950   1.6164 106419.70  1023.06 106757.50  1337.87 105944.10  1587.63  331.595   2.0785  330.306   2.4761 1.289124 3.232802 
1 1 1   -9   16    6 o  272.055   1.7767 71130.80  818.512 70370.34  946.198 73391.81  1631.54  269.228   1.8105  274.881   3.0577 -5.652771 3.553464 
1 1 1   -9   16    7 o  329.922   2.3252 105708.40  1488.60 104625.10  2072.45 106863.00  2139.56  328.180   3.2532  331.665   3.3232 -3.484985 4.650478 
1 1 1   -9   16    8 o  251.535   2.5011 61409.80  1150.36 61271.16  1406.96 61689.38  1997.96  251.156   2.8859  251.914   4.0857 -0.7584229 5.002133 
1 1 1   -9   16    9 o  135.553   1.1277 17847.51  284.628 17806.83  474.977 17870.30  355.533  135.428   1.8068  135.678   1.3499 -0.2504272 2.255351 
1 1 1   -9   16   10 o   65.862   0.7211  4237.63   84.539  4142.91  153.313  4279.02  101.337   65.329   1.2090   66.396   0.7863 -1.067215 1.442139 
1 1 1   -9   16   11 o  129.505   1.0816 16320.85  259.504 16156.62  437.035 16410.28  322.516  128.995   1.7453  130.016   1.2779 -1.020401 2.163137 
1 1 1   -9   16   12 o  163.770   1.7867 25890.03  555.259 26829.19  891.158 25294.05  709.904  166.168   2.7628  161.373   2.2662 4.794952 3.573318 
1 1 1   -9   16   13 o  227.370   1.5049 50284.66  658.105 49730.57  997.928 50711.07  875.454  226.246   2.2722  228.493   1.9738 -2.246902 3.009779 
1 1 1   -9   16   14 o  126.008   1.7002 15647.92  346.831 15041.17  725.114 15827.91  394.939  124.354   3.0039  127.663   1.5937 -3.308456 3.400445 
1 1 1   -9   16   15 o   97.347   1.8284  9061.14  246.724  9429.63  643.100  8997.54  267.168   98.435   3.3656   96.259   1.4298 2.176094 3.656745 
1 1 1   -9   16   16 o  145.246   1.8028 20585.59  440.056 20375.61  877.976 20656.03  508.545  144.679   3.1262  145.813   1.7967 -1.134460 3.605687 
1 1 1   -9   16   17 o   14.056   3.6110  149.717   60.602   3.8165  361.786  153.929   61.471   15.770   6.7200   12.342   2.6453 3.428852 7.221967 
1 1 1   -9   16   18 o  176.746   1.8741 30376.11  561.067 30496.95  1109.90 30334.63  650.271  176.846   3.2331  176.645   1.8964 0.2010345 3.748252 
1 1 1   -9   16   19 f   88.107   2.0708  7713.54  235.554  7369.72  653.482  7764.88  252.530   86.818   3.8776   89.397   1.4552 -2.579544 4.141645 
1 1 1   -9   16   20 o   35.344   4.2739  1135.31   82.216  1405.60  588.429  1129.93   83.031   36.584   8.4553   34.104   1.2542 2.480804 8.547798 
1 1 1   -9   16   21 o  119.001   1.2209 13775.44  281.855 13643.53  404.801 13899.56  392.682  118.443   1.7606  119.559   1.6920 -1.115311 2.441840 
1 1 1   -9   16   22 o   75.035   1.0582  5462.84  153.056  5563.08  231.448  5384.93  204.041   75.638   1.5763   74.431   1.4122 1.207542 2.116399 
1 1 1   -9   16   23 o   53.976   1.0291  2848.77  105.732  2750.29  165.174  2917.14  137.622   53.170   1.6003   54.781   1.2942 -1.611004 2.058138 
1 1 1   -9   16   24 o   92.919   1.1931  8381.97  213.941  8608.00  322.242  8203.81  286.091   94.023   1.7656   91.815   1.6052 2.208435 2.386171 
1 1 1   -9   16   25 o   15.922   2.5619  245.221   75.051  319.888  127.045  205.196   93.016   17.678   3.8142   14.166   3.4212 3.511857 5.123744 
1 1 1   -9   16   26 o  108.292   1.3814 11460.77  288.990 11281.59  428.474 11610.30  391.421  107.483   2.0536  109.101   1.8482 -1.617760 2.762815 
1 1 1   -9   16   27 o   45.000   1.1922  1979.93  103.039  1957.20  157.118  1997.08  136.488   44.753   1.8086   45.247   1.5540 -0.4939499 2.384498 
1 1 1   -9   16   28 o   19.109   2.4370  406.800   83.530  228.077  127.141  542.529  110.798   14.768   4.2228   23.451   2.4339 -8.682880 4.874018 
1 1 1   -9   16   29 o   17.223   2.5609  312.938   83.753  262.038  125.913  353.329  112.165   15.681   4.0928   18.765   3.0793 -3.083760 5.121830 
1 1 1   -9   16   30 o   42.856   1.2742  1820.52  104.063  1769.06  162.158  1856.56  135.689   42.267   1.9764   43.445   1.6089 -1.178120 2.548468 
1 1 1   -9   16   31 o   38.665   1.3369  1480.07   99.583  1512.88  151.056  1454.85  132.436   38.994   1.9956   38.335   1.7797 0.6590271 2.673897 
1 1 1   -9   16   32 o   14.198   3.0669  235.059   93.807  186.031  144.978  270.367  123.033   13.000   4.5987   15.397   4.0589 -2.396138 6.133771 
1 1 1   -9   16   33 o   8.8734   2.8346 -27.0969  104.397 -62.0548  156.046   1.2264  140.460   8.6674   3.9958   9.0793   4.0216 -0.4118719 5.669167 
1 1 1   -9   17    1 o  178.506   1.0652 30930.09  369.091 30727.37  518.405 31138.48  525.618  177.913   1.5011  179.099   1.5119 -1.186020 2.130471 
1 1 1   -9   17    2 o   55.463   0.6141  2973.95   62.022  2951.78   75.456  3020.14  108.899   55.146   0.7049   55.780   1.0057 -0.6337700 1.228145 
1 1 1   -9   17    3 o  158.261   1.0517 24299.34  321.616 24161.92  433.922 24466.86  479.093  157.766   1.4169  158.756   1.5546 -0.9898682 2.103423 
1 1 1   -9   17    4 o  266.007   1.4180 68715.63  731.026 68976.89  1006.79 68424.30  1063.16  266.544   1.9458  265.469   2.0631 1.074768 2.835955 
1 1 1   -9   17    5 o   99.021   0.7874  9514.38  151.118  9458.24  207.788  9577.41  220.176   98.711   1.0844   99.331   1.1419 -0.6194305 1.574741 
1 1 1   -9   17    6 o  173.324   1.3467 29158.81  453.045 28726.18  634.296 29609.38  647.307  172.012   1.8996  174.636   1.9095 -2.624023 2.693449 
1 1 1   -9   17    7 o  162.956   1.4737 25928.44  455.061 25098.98  721.094 26477.39  586.627  160.771   2.3106  165.141   1.8300 -4.370239 2.947452 
1 1 1   -9   17    8 o   93.549   0.9619  8425.95  166.010  8717.43  285.177  8276.55  204.169   94.760   1.5503   92.338   1.1391 2.422424 1.923790 
1 1 1   -9   17    9 o  171.708   1.5188 28507.34  493.284 29162.22  796.611 28100.06  628.218  173.292   2.3681  170.123   1.9023 3.169403 3.037554 
1 1 1   -9   17   10 o  183.544   1.3494 32729.43  474.889 32594.10  730.313 32828.58  625.087  183.209   2.0535  183.879   1.7512 -0.6699066 2.698833 
1 1 1   -9   17   11 o   67.598   0.7590  4462.38   90.101  4373.18  167.342  4498.80  106.923   67.117   1.2844   68.079   0.8091 -0.9616699 1.518007 
1 1 1   -9   17   12 o  108.342   1.8742 11543.26  382.482 10806.00  609.947 12021.03  491.017  105.441   2.9800  111.243   2.2738 -5.802826 3.748435 
1 1 1   -9   17   13 o  200.169   1.4454 38952.66  556.198 38711.71  846.220 39135.93  738.004  199.611   2.1839  200.727   1.8940 -1.115875 2.890820 
1 1 1   -9   17   14 o  128.212   1.7705 16296.00  364.145 15416.11  767.872 16551.29  413.611  125.880   3.1424  130.545   1.6322 -4.664970 3.541039 
1 1 1   -9   17   15 o   70.610   2.1652  5450.15  176.341  4137.65  523.667  5618.01  187.278   65.154   4.1405   76.065   1.2683 -10.91138 4.330372 
1 1 1   -9   17   16 o   51.286   2.3541  2755.93  105.136  2352.09  437.224  2780.71  108.314   49.057   4.5913   53.516   1.0426 -4.458851 4.708225 
1 1 1   -9   17   17 o   49.163   2.4149  2300.01   96.184  2421.41  455.131  2294.33   98.406   49.718   4.7159   48.609   1.0429 1.109013 4.829809 
1 1 1   -9   17   18 o   83.737   2.0993  7084.06  219.541  6509.92  626.632  7164.40  234.398   81.598   3.9561   85.876   1.4061 -4.277725 4.198560 
1 1 1   -9   17   19 o   36.581   3.9167  1766.56   94.317  937.920  455.060  1803.75   96.410   30.068   7.7481   43.095   1.1525 -13.02663 7.833378 
1 1 1   -9   17   20 o   93.393   2.2882  8952.60  269.872  7956.65  753.218  9099.28  289.063   90.032   4.3098   96.755   1.5391 -6.722443 4.576361 
1 1 1   -9   17   21 o   66.340   2.9008  4384.44  164.290  4245.85  718.538  4392.08  168.761   65.448   5.6557   67.232   1.2931 -1.784073 5.801661 
1 1 1   -9   17   22 o  100.916   1.2246  9927.52  239.151  9606.67  348.899 10211.85  328.447   99.364   1.8089  102.467   1.6513 -3.103088 2.449205 
1 1 1   -9   17   23 o   47.007   1.0545  2160.37   93.094  2103.98  151.256  2194.76  118.117   46.498   1.6758   47.516   1.2806 -1.018311 2.109034 
1 1 1   -9   17   24 o   69.394   1.0713  4709.76  143.112  4475.50  213.549  4900.75  192.817   67.807   1.6224   70.981   1.3994 -3.174599 2.142538 
1 1 1   -9   17   25 o   42.577   1.1704  1783.24   93.959  1686.02  149.843  1846.24  120.619   41.593   1.8559   43.561   1.4264 -1.968239 2.340755 
1 1 1   -9   17   26 o   50.675   1.1156  2503.88  107.652  2492.67  169.390  2511.48  139.432   50.561   1.7259   50.790   1.4142 -0.2287560 2.231297 
1 1 1   -9   17   27 o   85.510   1.2283  7142.74  203.378  7151.44  298.423  7135.19  277.910   85.539   1.7972   85.481   1.6748 0.5815887E-01 2.456625 
1 1 1   -9   17   28 o   52.228   1.1481  2673.89  115.961  2589.47  169.972  2747.40  158.605   51.436   1.7023   53.021   1.5410 -1.585304 2.296227 
1 1 1   -9   17   29 o   19.156   2.3810  396.821   81.456  308.306  131.683  451.680  103.669   16.990   4.0500   21.322   2.5047 -4.332342 4.761968 
1 1 1   -9   17   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   17   31 o   39.005   1.3979  1504.91  105.493  1632.64  157.109  1400.03  142.359   40.492   1.9988   37.517   1.9547 2.974617 2.795732 
1 1 1   -9   17   32 o   21.392   2.4559  504.157   96.467  436.793  147.928  554.001  127.245   19.666   4.0109   23.119   2.8354 -3.452517 4.911895 
1 1 1   -9   17   33 o   22.988   2.4519  588.475  104.434  529.530  158.081  634.123  139.114   21.487   3.9350   24.489   2.9264 -3.001394 4.903897 
1 1 1   -9   18    1 o  181.738   1.1510 32077.49  403.168 31951.71  606.906 32176.83  539.379  181.417   1.7234  182.060   1.5262 -0.6426086 2.302025 
1 1 1   -9   18    2 o   78.735   0.6523  6018.09   99.680  6068.32  140.019  5966.48  141.938   79.068   0.9123   78.402   0.9326 0.6664429 1.304613 
1 1 1   -9   18    3 o   54.984   0.6633  2933.14   70.716  2907.04   97.556  2962.04  102.653   54.726   0.9183   55.241   0.9573 -0.5150528 1.326549 
1 1 1   -9   18    4 o   92.224   0.7345  8258.32  131.449  8513.81  185.712  8001.81  186.083   93.654   1.0215   90.794   1.0558 2.859970 1.469097 
1 1 1   -9   18    5 o  175.173   1.1228 29769.23  379.345 29616.51  507.791 29962.10  570.644  174.666   1.4977  175.679   1.6733 -1.012131 2.245659 
1 1 1   -9   18    6 o  233.818   1.6575 53066.21  751.958 52416.93  1044.78 53764.00  1083.11  232.336   2.3166  235.299   2.3713 -2.963821 3.315049 
1 1 1   -9   18    7 o  165.641   1.6288 26643.05  523.709 26801.46  742.000 26485.80  739.281  166.131   2.3008  165.150   2.3060 0.9813843 3.257558 
1 1 1   -9   18    8 o  164.716   2.3681 25899.99  638.174 25515.59  725.129 27220.59  1344.03  162.098   2.3045  167.335   4.1377 -5.236389 4.736157 
1 1 1   -9   18    9 o  207.690   1.7678 41983.11  704.269 41291.73  1077.84 42498.20  930.335  206.184   2.6930  209.195   2.2910 -3.011658 3.535643 
1 1 1   -9   18   10 o   71.375   0.7993  4956.49  102.333  4916.36  183.751  4974.54  123.209   71.163   1.3302   71.587   0.8866 -0.4242706 1.598585 
1 1 1   -9   18   11 o  101.951   0.9570 10172.17  180.244  9822.97  303.421 10362.58  224.063  100.584   1.5540  103.318   1.1172 -2.734283 1.913902 
1 1 1   -9   18   12 o  113.447   1.1037 12494.26  241.845 12525.30  360.738 12468.92  325.944  113.572   1.6363  113.321   1.4817 0.2510529 2.207456 
1 1 1   -9   18   13 o   81.477   0.9474  6449.56  149.377  6397.64  219.640  6494.25  203.755   81.170   1.3940   81.783   1.2835 -0.6133728 1.894830 
1 1 1   -9   18   14 o   94.661   1.9688  9297.70  258.111  7893.92  638.880  9571.52  282.164   90.042   3.6552   99.280   1.4641 -9.238609 3.937523 
1 1 1   -9   18   15 o  101.376   1.7856 10073.85  260.859  9869.53  638.554 10114.78  285.794  100.695   3.2668  102.056   1.4426 -1.360756 3.571151 
1 1 1   -9   18   16 o  100.270   1.8550  9967.81  268.453  9506.76  651.258 10062.18  294.651   98.762   3.3970  101.778   1.4914 -3.015480 3.709970 
1 1 1   -9   18   17 o  117.883   1.9059 13397.80  329.843 13731.95  797.515 13328.85  362.280  118.643   3.4628  117.123   1.5934 1.519424 3.811861 
1 1 1   -9   18   18 o  102.268   2.0224 10704.57  293.078  9448.41  712.335 10960.54  321.555   98.331   3.7319  106.204   1.5597 -7.872597 4.044703 
1 1 1   -9   18   19 o   24.197   3.9863  718.084   68.455  344.301  432.495  727.689   69.329   21.026   7.8650   27.368   1.3050 -6.342556 7.972543 
1 1 1   -9   18   20 o   41.958   3.2482  1558.92   89.510  1925.29  545.621  1548.78   90.739   43.986   6.3901   39.930   1.1707 4.056915 6.496445 
1 1 1   -9   18   21 o   40.442   5.5148  1966.79  104.928  1364.08  833.367  1976.50  105.769   35.780   10.963   45.104   1.2080 -9.323513 11.02964 
1 1 1   -9   18   22 o   17.830   2.2723  355.502   66.407  238.867  123.667  402.760   78.719   15.321   4.0839   20.339   1.9938 -5.017676 4.544576 
1 1 1   -9   18   23 o   73.241   1.0677  5220.82  150.417  5192.47  228.305  5242.56  199.949   73.054   1.6099   73.427   1.4028 -0.3728638 2.135347 
1 1 1   -9   18   24 o   39.559   1.1776  1553.00   86.635  1415.19  141.303  1636.01  109.666   38.106   1.9103   41.012   1.3775 -2.905777 2.355130 
1 1 1   -9   18   25 o   29.558   1.5636  887.306   84.161  745.305  139.810  968.003  105.395   27.594   2.6102   31.522   1.7224 -3.928703 3.127249 
1 1 1   -9   18   26 o   31.767   1.4500  1010.99   85.719  891.238  138.066  1086.10  109.345   30.163   2.3581   33.372   1.6879 -3.209681 2.899908 
1 1 1   -9   18   27 o   19.280   2.3499  361.403   84.234  499.708  132.954  268.660  108.873   22.455   3.0502   16.106   3.5756 6.349142 4.699795 
1 1 1   -9   18   28 o   14.733   2.6417  241.753   82.855   93.342  136.725  327.885  104.159   11.327   4.3777   18.140   2.9580 -6.813280 5.283355 
1 1 1   -9   18   29 o   30.794   1.5492  933.193   90.844  963.559  144.055  913.144  117.053   31.154   2.3820   30.433   1.9814 0.7211361 3.098373 
1 1 1   -9   18   30 o   35.751   1.4075  1271.59   96.595  1248.25  147.186  1289.26  128.021   35.400   2.1419   36.103   1.8267 -0.7030106 2.815094 
1 1 1   -9   18   31 o   15.469   2.7177  278.392   88.547  134.551  139.779  374.805  114.438   11.899   4.4673   19.040   3.0962 -7.141294 5.435355 
1 1 1   -9   18   32 o   17.404   2.7953  360.539  101.082  158.989  148.939  532.655  137.634   12.335   4.6152   22.473   3.1550 -10.13749 5.590545 
1 1 1   -9   18   33 o   14.261   3.0010  252.530  101.142   92.393  158.660  362.155  131.274   10.885   4.5326   17.638   3.9342 -6.752762 6.001907 
1 1 1   -9   19    1 o  176.625   1.0707 30282.86  367.053 30168.69  515.239 30400.50  523.032  176.287   1.5056  176.963   1.5226 -0.6756134 2.141315 
1 1 1   -9   19    2 o  123.704   0.9870 14866.86  232.350 14794.53  366.360 14915.52  300.521  123.450   1.5288  123.958   1.2489 -0.5076599 1.974092 
1 1 1   -9   19    3 o  106.586   0.8160 11018.23  168.466 10891.51  230.170 11164.43  247.239  105.926   1.1194  107.245   1.1876 -1.318268 1.632011 
1 1 1   -9   19    4 o  153.977   1.0664 23017.82  317.599 23038.61  431.420 22993.23  469.270  154.054   1.4427  153.900   1.5708 0.1542664 2.132759 
1 1 1   -9   19    5 o   52.199   0.5200  2644.01   52.684  2605.95   73.714  2683.75   75.324   51.815   0.7329   52.583   0.7379 -0.7677193 1.040035 
1 1 1   -9   19    6 o  233.342   2.0286 52864.98  918.417 52190.90  1275.52 53590.73  1323.49  231.800   2.8347  234.883   2.9027 -3.083649 4.057243 
1 1 1   -9   19    7 o  131.755   1.4453 16856.32  369.570 16900.19  517.893 16810.80  527.542  131.930   2.0222  131.580   2.0654 0.3504639 2.890543 
1 1 1   -9   19    8 o  398.713   2.8490 153881.00  2155.13 151509.09  2758.88 157594.00  3451.92  394.851   3.5994  402.576   4.4172 -7.724915 5.698042 
1 1 1   -9   19    9 o  144.271   2.4968 20737.36  555.661 21078.38  622.588 19402.08  1231.95  147.326   2.1770  141.217   4.4941 6.109268 4.993613 
1 1 1   -9   19   10 f  136.094   1.2877 17983.22  330.141 17991.75  536.033 17978.00  419.053  136.113   2.0287  136.076   1.5864 0.3750610E-01 2.575378 
1 1 1   -9   19   11 o   49.902   0.7248  2392.22   66.571  2495.65  115.132  2340.28   81.593   50.702   1.1698   49.101   0.8560 1.601151 1.449550 
1 1 1   -9   19   12 o  156.957   1.3015 23997.91  394.325 23195.29  583.950 24670.67  534.628  154.531   1.9467  159.383   1.7280 -4.851883 2.602998 
1 1 1   -9   19   13 o  124.267   1.2089 15019.59  290.180 14776.64  430.490 15221.92  392.843  123.340   1.7980  125.193   1.6165 -1.853813 2.417832 
1 1 1   -9   19   14 o   58.183   1.9362  3273.22  112.905  3313.12  422.343  3270.14  117.170   58.329   3.7301   58.038   1.0400 0.2912331 3.872337 
1 1 1   -9   19   15 o  129.372   1.7738 16523.36  370.383 15828.42  776.877 16727.79  421.353  127.517   3.1385  131.228   1.6541 -3.710724 3.547673 
1 1 1   -9   19   16 o   76.859   1.8806  5742.18  175.895  5758.78  529.124  5740.12  186.501   76.838   3.5475   76.879   1.2497 -0.4132843E-01 3.761137 
1 1 1   -9   19   17 o   39.429   2.7118  1430.48   76.892  1616.86  418.947  1423.98   78.221   40.564   5.3205   38.294   1.0523 2.270344 5.423527 
1 1 1   -9   19   18 o  103.770   1.8616 10294.80  278.054 10775.90  692.655 10202.38  303.589  105.072   3.3960  102.467   1.5263 2.604401 3.723203 
1 1 1   -9   19   19 o   83.828   2.3302  7140.66  223.668  6524.90  702.855  7210.04  235.933   81.517   4.4417   86.138   1.4110 -4.621292 4.660472 
1 1 1   -9   19   20 o   53.863   2.6065  2543.31  113.060  3186.02  560.484  2516.05  115.433   56.833   5.0804   50.893   1.1684 5.940586 5.213005 
1 1 1   -9   19   21 o  115.298   2.9060 13398.46  388.021 12628.11  1211.18 13486.57  409.610  112.852   5.5288  117.744   1.7921 -4.892265 5.812023 
1 1 1   -9   19   22 o   71.102   1.0590  4924.90  144.304  4857.58  221.726  4974.36  190.066   70.669   1.6163   71.535   1.3687 -0.8661041 2.117996 
1 1 1   -9   19   23 o   86.695   1.1408  7289.24  190.440  7490.60  289.951  7136.48  252.552   87.732   1.7025   85.657   1.5189 2.075546 2.281592 
1 1 1   -9   19   24 o   73.761   1.1065  5308.36  156.827  5198.19  238.064  5392.83  208.448   73.068   1.6784   74.454   1.4423 -1.385941 2.212968 
1 1 1   -9   19   25 o   52.854   1.0745  2718.48  108.009  2724.49  170.850  2714.49  139.400   52.887   1.6642   52.821   1.3595 0.6570816E-01 2.148915 
1 1 1   -9   19   26 o   27.426   1.6104  748.360   83.102  686.558  131.971  788.968  106.974   26.439   2.5714   28.414   1.9394 -1.975868 3.220827 
1 1 1   -9   19   27 o   40.113   1.2067  1567.44   92.546  1601.70  144.613  1543.68  120.439   40.460   1.8413   39.765   1.5603 0.6947098 2.413429 
1 1 1   -9   19   28 o   62.016   1.1234  3765.42  134.473  3735.68  200.689  3789.66  181.154   61.767   1.6738   62.266   1.4988 -0.4987411 2.246756 
1 1 1   -9   19   29 o   30.855   1.5328  975.490   87.901  804.672  138.387  1091.02  113.809   28.406   2.5096   33.303   1.7604 -4.896921 3.065526 
1 1 1   -9   19   30 o   33.769   1.4182  1131.45   92.021  1149.58  140.932  1117.97  121.494   33.950   2.1385   33.588   1.8634 0.3610840 2.836442 
1 1 1   -9   19   31 o   12.308   2.9023  121.810   90.392  290.488  141.411   5.2719  117.541   15.937   4.4177   8.6783   3.7653 7.258899 5.804575 
1 1 1   -9   19   32 o   10.990   2.9995  102.269   90.375  165.927  141.959   58.886  117.191   12.399   4.5294   9.5809   3.9334 2.818202 5.998966 
1 1 1   -9   19   33 o   19.086   2.9299  418.707  108.934  604.051  165.781  277.873  144.511   23.230   3.6763   14.942   4.5631 8.288253 5.859833 
1 1 1   -9   20    1 f  220.728   1.1893 47295.96  509.505 47091.41  713.518 47508.79  727.792  220.242   1.6689  221.215   1.6948 -0.9730072 2.378617 
1 1 1   -9   20    2 o  179.110   1.0792 31144.03  375.160 31188.91  526.263 31097.65  534.958  179.242   1.5125  178.979   1.5398 0.2630615 2.158369 
1 1 1   -9   20    3 o   91.330   0.8256  8042.69  141.694  8310.33  233.287  7886.24  178.363   92.525   1.2989   90.136   1.0194 2.389122 1.651133 
1 1 1   -9   20    4 o   76.486   0.6421  5675.47   95.224  5616.78  131.337  5740.51  138.263   76.069   0.8894   76.902   0.9262 -0.8330307 1.284105 
1 1 1   -9   20    5 o   99.516   0.8525  9612.93  164.687  9690.30  234.001  9536.99  231.820   99.913   1.2065   99.119   1.2048 0.7934570 1.705083 
1 1 1   -9   20    6 o  357.731   2.4316 124356.50  1688.42 125755.80  2381.76 122942.90  2393.85  359.757   3.4105  355.704   3.4669 4.052856 4.863252 
1 1 1   -9   20    7 o  172.455   1.7240 28887.07  576.956 29093.95  807.503 28671.32  824.645  173.087   2.4033  171.823   2.4724 1.264450 3.448015 
1 1 1   -9   20    8 o  201.363   2.4533 38535.20  856.623 37514.70  1000.02 41347.91  1660.22  196.524   2.6214  206.201   4.1477 -9.676849 4.906640 
1 1 1   -9   20    9 o   84.549   2.6621  6863.39  228.249  6848.38  237.034  7054.76  846.215   83.988   1.4539   85.110   5.1219 -1.122513 5.324274 
1 1 1   -9   20   10 o  122.225   2.5594 14903.83  437.832 15077.07  477.365 13985.91  1098.80  124.600   1.9736  119.849   4.7230 4.751633 5.118799 
1 1 1   -9   20   11 o  169.086   1.5536 27846.63  496.886 27442.47  795.011 28105.70  636.526  168.060   2.4369  170.112   1.9276 -2.052338 3.107127 
1 1 1   -9   20   12 o  155.775   1.3132 23588.86  394.479 23407.54  591.750 23733.88  529.227  155.228   1.9638  156.321   1.7441 -1.092682 2.626465 
1 1 1   -9   20   13 o   18.609   1.5357  401.076   37.335  260.129   87.397  432.538   41.292   16.110   2.9014   21.108   1.0078 -4.997782 3.071437 
1 1 1   -9   20   14 o  143.431   1.7301 19924.04  416.920 20144.51  836.636 19851.21  480.883  143.903   2.9950  142.959   1.7329 0.9440155 3.460206 
1 1 1   -9   20   15 o   33.935   3.6629  1729.34   77.266  634.195  373.975  1778.17   78.970   25.075   7.2638   42.796   0.9506 -17.72118 7.325760 
1 1 1   -9   20   16 o   87.973   1.9207  7229.28  209.118  7938.95  630.899  7141.68  221.648   90.198   3.6033   85.748   1.3316 4.450050 3.841462 
1 1 1   -9   20   17 o  157.747   1.8776 24338.82  503.821 24005.51  985.760 24456.67  586.165  156.888   3.2368  158.605   1.9039 -1.717087 3.755202 
1 1 1   -9   20   18 o   24.019   3.8782  773.948   66.655  237.746  422.788  787.615   67.499   19.562   7.6598   28.476   1.2211 -8.913624 7.756474 
1 1 1   -9   20   19 o   49.841   2.8432  2566.49  109.074  2293.01  521.205  2579.01  111.544   48.153   5.5760   51.528   1.1152 -3.375271 5.686388 
1 1 1   -9   20   20 o   25.177   4.5886  708.843   72.367  369.224  591.528  714.003   72.914   23.248   9.0721   27.106   1.3857 -3.857435 9.177282 
1 1 1   -9   20   21 o   50.544   4.7176  3148.77  134.553  2050.20  772.011  3183.19  136.645   43.851   9.3546   57.237   1.2299 -13.38543 9.435123 
1 1 1   -9   20   22 o  100.934   1.2476  9905.21  243.347 10017.91  362.669  9812.92  328.196  101.443   1.8417  100.425   1.6836 1.018669 2.495245 
1 1 1   -9   20   23 o   59.531   5.8966  3555.64  681.418   0.0000   0.0000  3555.64  681.418  ?   ?    59.531   5.8966      ?      ? 
1 1 1   -9   20   24 o   75.734   1.1205  5558.46  163.510  5774.13  248.692  5394.24  217.010   77.011   1.6636   74.456   1.5015 2.555077 2.240957 
1 1 1   -9   20   25 o   8.2020   2.5477 -20.5548   75.491 -63.1536  131.021   0.6149   92.364   8.4334   3.7989   7.9705   3.3959 0.4628992 5.095421 
1 1 1   -9   20   26 o   39.847   1.2381  1538.00   94.049  1614.16  149.222  1487.82  121.137   40.639   1.8916   39.055   1.5978 1.583870 2.476131 
1 1 1   -9   20   27 o   38.528   1.2563  1463.89   91.854  1393.78  144.152  1511.81  119.182   37.710   1.9692   39.346   1.5604 -1.635536 2.512546 
1 1 1   -9   20   28 o   24.539   1.9721  623.254   89.248  505.996  142.081  699.674  114.701   22.444   3.2612   26.635   2.2185 -4.190828 3.944247 
1 1 1   -9   20   29 f   34.460   1.3891  1174.73   89.413  1168.17  147.758  1178.52  112.310   34.299   2.2192   34.620   1.6712 -0.3209496 2.778105 
1 1 1   -9   20   30 o   9.6883   2.7999   53.033   83.662   13.629  133.777   78.343  107.216   9.3902   4.0455   9.9863   3.8719 -0.5961323 5.599777 
1 1 1   -9   20   31 o   17.311   2.7926  330.827   90.557  360.416  142.243  310.661  117.429   17.841   4.1803   16.781   3.7041 1.060572 5.585229 
1 1 1   -9   20   32 o   11.387   3.0842  123.060   92.697  152.195  152.740  106.072  116.633   12.155   4.6450   10.619   4.0588 1.535890 6.168454 
1 1 1   -9   20   33 o   14.831   3.2354  279.255  102.813  250.175  161.409  299.110  133.370   14.024   4.8600   15.638   4.2723 -1.614297 6.470847 
1 1 1   -9   21    1 o   81.204   0.9015  6404.04  141.930  6338.47  205.332  6464.02  196.404   80.805   1.3090   81.602   1.2399 -0.7970505 1.803027 
1 1 1   -9   21    2 o   12.603   1.0076  159.140   23.849  119.379   35.038  193.467   32.555   11.089   1.6277   14.117   1.1879 -3.028503 2.015107 
1 1 1   -9   21    3 o  223.040   1.1983 48298.56  518.776 48446.55  730.091 48147.65  737.281  223.385   1.6837  222.694   1.7055 0.6909637 2.396575 
1 1 1   -9   21    4 o  133.596   1.2194 17322.18  313.804 17283.12  418.372 17372.41  474.477  133.426   1.6153  133.765   1.8273 -0.3395386 2.438898 
1 1 1   -9   21    5 o  160.996   1.4852 25265.10  448.072 25547.67  565.925 24790.36  733.531  162.216   1.7972  159.776   2.3651 2.439911 2.970439 
1 1 1   -9   21    6 o  200.275   1.8431 38963.59  716.370 39442.55  1006.39 38471.64  1019.94  201.525   2.5726  199.026   2.6400 2.499115 3.686165 
1 1 1   -9   21    7 f  137.578   1.4956 18378.46  399.315 18313.56  558.095 18446.53  571.579  137.330   2.0935  137.826   2.1364 -0.4962463 2.991156 
1 1 1   -9   21    8 o   61.473   3.1702  3888.32  157.575  3910.59  161.533  3450.49  716.225   63.468   1.3111   59.478   6.2033 3.989811 6.340375 
1 1 1   -9   21    9 o  117.360   2.6705 14034.94  421.254 14297.95  456.345 12519.42  1095.44  121.341   1.9374  113.380   4.9773 7.961258 5.341032 
1 1 1   -9   21   10 o  153.861   2.5404 23299.60  620.593 23506.82  700.938 22547.93  1334.96  155.557   2.3213  152.166   4.5194 3.391312 5.080715 
1 1 1   -9   21   11 o   79.295   0.8756  6035.60  124.968  6288.19  225.675  5923.89  150.078   80.473   1.4447   78.116   0.9897 2.356949 1.751166 
1 1 1   -9   21   12 o   85.543   1.0100  7099.39  167.270  7190.95  246.441  7021.18  227.770   86.052   1.4753   85.033   1.3799 1.019081 2.020058 
1 1 1   -9   21   13 o  143.111   1.2939 19927.43  357.897 19514.63  528.409 20277.32  486.473  141.734   1.9206  144.489   1.7344 -2.754730 2.587839 
1 1 1   -9   21   14 o  116.454   1.1694 13154.68  263.078 13352.76  393.031 12993.90  354.104  117.243   1.7269  115.665   1.5771 1.578201 2.338718 
1 1 1   -9   21   15 o  109.796   1.8171 11787.49  305.926 11634.19  692.927 11824.61  340.955  109.268   3.2669  110.324   1.5921 -1.056633 3.634145 
1 1 1   -9   21   16 o   72.662   2.3410  5814.18  187.841  4375.81  583.640  5980.38  198.398   66.857   4.4971   78.468   1.3025 -11.61053 4.681935 
1 1 1   -9   21   17 o  241.259   1.8835 56454.43  823.588 57342.94  1458.84 56038.78  997.806  242.501   3.0991  240.018   2.1416 2.482452 3.767038 
1 1 1   -9   21   18 o  155.097   1.9980 23373.31  509.913 23587.08  1053.97 23307.98  582.639  155.385   3.4942  154.810   1.9388 0.5746307 3.996089 
1 1 1   -9   21   19 o   82.572   2.2680  6849.57  216.956  6423.31  677.460  6898.28  229.018   80.891   4.3144   84.254   1.4003 -3.363655 4.535944 
1 1 1   -9   21   20 o   27.454   4.8090  702.494   72.571  768.695  617.891  701.568   73.076   28.041   9.5154   26.868   1.4011 1.172691 9.618025 
1 1 1   -9   21   21 o   56.069   3.4864  3248.18  134.108  2955.93  722.781  3258.60  136.478   54.227   6.8663   57.910   1.2141 -3.683224 6.972849 
1 1 1   -9   21   22 o   66.819   4.4972  4414.81  583.319   0.0000   0.0000  4414.81  583.319  ?   ?    66.819   4.4972      ?      ? 
1 1 1   -9   21   23 o   45.367   1.1138  2013.91   94.323  1962.40  155.517  2043.88  118.634   44.889   1.7847   45.846   1.3331 -0.9568100 2.227625 
1 1 1   -9   21   24 o   60.325   1.0740  3544.90  123.786  3522.17  192.611  3560.90  161.572   60.145   1.6497   60.504   1.3757 -0.3589821 2.148051 
1 1 1   -9   21   25 o   28.667   1.5631  837.826   80.222  708.013  137.929  904.186   98.617   26.873   2.6441   30.460   1.6678 -3.587767 3.126172 
1 1 1   -9   21   26 o   30.036   1.5144  905.826   84.572  800.343  136.571  971.437  107.710   28.537   2.4654   31.536   1.7595 -2.999037 3.028888 
1 1 1   -9   21   27 o   19.346   2.3371  358.119   83.624  502.961  137.492  273.083  105.349   22.465   3.1529   16.227   3.4507 6.237638 4.674194 
1 1 1   -9   21   28 o   88.515   1.2578  7694.98  215.790  7533.97  312.029  7842.57  298.750   87.596   1.8350   89.434   1.7208 -1.838058 2.515690 
1 1 1   -9   21   29 o   14.459   2.8167  222.688   80.581  248.937  126.153  204.597  104.730   15.117   4.1655   13.800   3.7924 1.316759 5.633307 
1 1 1   -9   21   30 o   15.465   2.6332  281.598   83.370  134.238  136.748  368.771  105.177   11.912   4.4291   19.017   2.8491 -7.105265 5.266301 
1 1 1   -9   21   31 o   8.8268   2.7556 -13.5663   89.711   31.724  146.533 -40.7195  113.461   9.9093   4.2509   7.7443   3.5074 2.164969 5.511127 
1 1 1   -9   21   32 o   8.8482   2.7431 -20.9581   96.851 -145.4877  145.974   76.968  129.446   7.5147   3.5863   10.182   4.1517 -2.667108 5.486162 
1 1 1   -9   21   33 f   12.004   3.1049  163.456  101.836   54.555  160.124  237.420  131.963   10.155   4.4004   13.853   4.3814 -3.697801 6.209713 
1 1 1   -9   22    1 f  167.890   1.0605 27362.53  345.592 27262.24  485.890 27465.20  491.642  167.578   1.4937  168.201   1.5058 -0.6223602 2.120934 
1 1 1   -9   22    2 o  175.646   1.1539 29941.43  388.305 29888.46  509.467 30014.85  599.821  175.464   1.4958  175.828   1.7574 -0.3636322 2.307754 
1 1 1   -9   22    3 o  215.529   1.1765 45095.42  492.128 44952.31  688.986 45244.47  703.179  215.181   1.6495  215.878   1.6780 -0.6971893 2.352956 
1 1 1   -9   22    4 o  183.896   1.5357 33051.51  510.290 33431.69  619.423 32248.53  900.209  185.567   1.7196  182.224   2.5449 3.343124 3.071396 
1 1 1   -9   22    5 o  127.099   1.4109 15684.57  348.103 15798.76  494.095 15572.03  490.509  127.558   1.9954  126.640   1.9953 0.9185944 2.821885 
1 1 1   -9   22    6 o  151.167   1.5642 22192.71  458.938 22270.74  644.349 22112.38  653.828  151.437   2.1919  150.896   2.2321 0.5408783 3.128399 
1 1 1   -9   22    7 o   97.257   1.1622  9181.47  219.384  9015.92  307.458  9353.17  313.130   96.364   1.6436   98.149   1.6435 -1.785759 2.324370 
1 1 1   -9   22    8 o  243.656   2.6336 58634.03  1171.67 60518.55  1444.21 55005.22  2004.06  249.555   2.9813  237.756   4.3422 11.79872 5.267150 
1 1 1   -9   22    9 o  122.946   2.6070 14918.70  449.531 15017.76  489.708 14388.23  1133.23  124.351   2.0287  121.540   4.8032 2.810188 5.214097 
1 1 1   -9   22   10 o  186.697   2.5394 33377.71  796.816 32858.00  916.647 34984.81  1611.90  183.880   2.5680  189.514   4.3816 -5.633820 5.078713 
1 1 1   -9   22   11 f  100.111   1.1049  9746.87  209.559  9668.43  334.435  9797.58  268.894   99.773   1.7268  100.449   1.3790 -0.6765518 2.209846 
1 1 1   -9   22   12 o  121.594   1.3871 14356.45  327.213 14164.07  454.028 14564.35  471.994  120.748   1.9370  122.440   1.9859 -1.691536 2.774113 
1 1 1   -9   22   13 o  200.748   1.4727 39146.85  568.920 39230.39  863.714 39082.83  756.125  200.923   2.2145  200.573   1.9420 0.3500824 2.945418 
1 1 1   -9   22   14 o   43.405   2.7693  1928.69  214.094  1592.88  369.011  2099.08  262.859   40.369   4.7090   46.442   2.9157 -6.073238 5.538629 
1 1 1   -9   22   15 o   17.794   3.2207  431.297   51.881 -123.0252  349.275  443.803   52.463   14.212   6.3161   21.377   1.2643 -7.164773 6.441378 
1 1 1   -9   22   16 o   61.809   2.0412  3512.70  125.629  3972.39  485.906  3479.77  130.051   63.758   3.9260   59.860   1.1192 3.898144 4.082418 
1 1 1   -9   22   17 o   57.214   2.4845  3555.22  131.887  2804.91  501.464  3610.98  136.699   53.453   4.8328   60.975   1.1549 -7.522209 4.968919 
1 1 1   -9   22   18 o   57.132   2.8598  3608.47  135.910  2765.33  574.758  3658.41  139.877   52.895   5.5977   61.370   1.1742 -8.474960 5.719501 
1 1 1   -9   22   19 o   40.897   4.6862  1861.99   93.146  1527.21  680.214  1868.39   94.032   37.936   9.3070   43.858   1.1045 -5.921722 9.372314 
1 1 1   -9   22   20 o   46.394   4.9217  2686.10  117.298  1713.59  752.112  2710.34  118.751   39.968   9.7750   52.819   1.1582 -12.85098 9.843368 
1 1 1   -9   22   21 o   43.391   1.1523  1829.29   97.060   0.0000   0.0000  1829.29   97.060  ?   ?    43.391   1.1523      ?      ? 
1 1 1   -9   22   22 o   26.166   1.6077  666.106   81.660   0.0000   0.0000  666.106   81.660  ?   ?    26.166   1.6077      ?      ? 
1 1 1   -9   22   23 o  105.364   1.3833 10826.45  282.459 10732.15  410.438 10911.29  389.314  104.914   2.0153  105.814   1.8954 -0.8998871 2.766593 
1 1 1   -9   22   24 o   11.055   2.6665  114.340   71.233   9.1380  133.789  155.960   84.152   9.7167   4.1112   12.393   3.3969 -2.676595 5.333021 
1 1 1   -9   22   25 o   45.778   1.1383  2029.99   98.610  2096.77  159.364  1988.56  125.526   46.365   1.7707   45.191   1.4309 1.173599 2.276588 
1 1 1   -9   22   26 o   17.656   2.4512  306.112   79.218  392.504  130.436  255.624   99.714   19.560   3.5668   15.751   3.3634 3.808327 4.902496 
1 1 1   -9   22   27 f   25.300   1.8280  650.585   85.911  565.186  138.023  704.599  109.768   23.827   2.9841   26.772   2.1122 -2.944574 3.655960 
1 1 1   -9   22   28 o   35.738   1.3675  1257.20   92.867  1254.22  147.036  1259.17  119.782   35.653   2.1245   35.824   1.7225 -0.1705513 2.735065 
1 1 1   -9   22   29 o   26.826   1.6979  723.237   85.264  705.253  139.304  734.010  107.819   26.448   2.7133   27.203   2.0418 -0.7548008 3.395718 
1 1 1   -9   22   30 o   10.270   2.8667   73.047   87.502   3.6987  135.324  122.875  114.708   9.2620   4.0293   11.277   4.0789 -2.015485 5.733462 
1 1 1   -9   22   31 o   12.314   2.8859  162.990   88.854   46.813  138.026  245.206  116.113   9.9249   4.1863   14.704   3.9736 -4.778954 5.771879 
1 1 1   -9   22   32 o   15.543   2.9434  263.679   94.320  433.302  149.699  152.013  121.461   19.306   4.1199   11.779   4.2047 7.527068 5.886713 
1 1 1   -9   23    1 o  184.195   1.1061 32936.39  395.482 32753.70  556.397 33122.94  562.240  183.679   1.5605  184.712   1.5681 -1.032227 2.212219 
1 1 1   -9   23    2 o  281.040   1.3173 76686.08  718.589 76630.09  1009.70 76743.55  1022.91  280.937   1.8515  281.144   1.8743 -0.2067566 2.634580 
1 1 1   -9   23    3 o   86.034   0.8201  7218.36  132.767  7323.51  168.879  7048.21  214.831   86.860   1.0016   85.209   1.2988 1.651192 1.640150 
1 1 1   -9   23    4 o  283.932   1.5443 78306.00  819.632 78358.84  1028.90 78214.25  1355.89  284.083   1.8658  283.781   2.4614 0.3016357 3.088611 
1 1 1   -9   23    5 o   49.775   0.7345  2351.39   60.159  2305.74   68.451  2506.30  126.094   48.739   0.7235   50.811   1.2784 -2.072117 1.468948 
1 1 1   -9   23    6 o   99.136   2.4002  9460.01  303.503  9677.11  869.545  9429.89  323.871   99.722   4.4919   98.550   1.6930 1.172531 4.800395 
1 1 1   -9   23    7 o  279.265   2.2367 75801.19  1212.08 75945.37  1692.79 75649.49  1736.32  279.543   3.1195  278.987   3.2061 0.5553589 4.473333 
1 1 1   -9   23    8 f   91.335   2.6984  7831.75  264.804  7776.72  276.165  8459.53  932.794   89.495   1.5897   93.175   5.1573 -3.679573 5.396740 
1 1 1   -9   23    9 f  167.329   2.5522 26938.11  686.767 26706.15  776.058 27775.71  1474.70  165.792   2.4114  168.865   4.4988 -3.072388 5.104325 
1 1 1   -9   23   10 o  102.201   2.9762 10381.70  334.182 10426.43  350.328  9929.62  1113.65  103.611   1.7418  100.791   5.6919 2.820099 5.952480 
1 1 1   -9   23   11 o  143.341   2.9643 20962.63  582.950 21376.38  634.354 18715.57  1478.31  148.319   2.2033  138.362   5.5041 9.957352 5.928661 
1 1 1   -9   23   12 o  180.372   1.8692 31605.55  652.774 31309.41  889.744 31950.79  960.652  179.467   2.5540  181.276   2.7300 -1.808990 3.738385 
1 1 1   -9   23   13 o   87.739   0.9771  7479.21  165.697  7436.31  245.656  7515.02  224.439   87.505   1.4462   87.972   1.3143 -0.4663544 1.954184 
1 1 1   -9   23   14 o   92.693   1.0623  8366.54  190.567  8026.84  277.070  8671.50  262.522   90.900   1.5702   94.486   1.4313 -3.586800 2.124674 
1 1 1   -9   23   15 o   60.513   2.1868  3561.09  120.896  3576.83  498.130  3560.10  124.623   60.476   4.2432   60.549   1.0603 -0.7336044E-01 4.373666 
1 1 1   -9   23   16 o  125.471   1.8110 15023.79  357.735 15849.52  795.171 14814.26  400.560  127.479   3.2133  123.463   1.6713 4.015839 3.622007 
1 1 1   -9   23   17 o  104.899   1.9748 10854.73  296.584 10524.89  729.559 10920.04  324.619  103.794   3.6209  106.005   1.5776 -2.210434 3.949676 
1 1 1   -9   23   18 o  130.398   1.9715 16986.46  406.279 15882.18  871.129 17293.42  459.288  127.441   3.5213  133.355   1.7742 -5.913857 3.943068 
1 1 1   -9   23   19 o   50.249   4.3302  2821.45  117.364  2254.87  745.945  2835.83  118.844   46.467   8.5861   54.031   1.1331 -7.563740 8.660497 
1 1 1   -9   23   20 o  100.257   2.9838 11062.59  339.629  8469.34  1024.54 11382.74  359.983   92.334   5.7161  108.180   1.7142 -15.84574 5.967627 
1 1 1   -9   23   21 o   59.434   1.2331  3432.93  142.271   0.0000   0.0000  3432.93  142.271  ?   ?    59.434   1.2331      ?      ? 
1 1 1   -9   23   22 o   24.268   1.8629  573.451   87.760   0.0000   0.0000  573.451   87.760  ?   ?    24.268   1.8629      ?      ? 
1 1 1   -9   23   23 o   80.000   1.1749  6254.72  181.651  5906.23  264.844  6564.30  249.619   77.874   1.7520   82.126   1.5658 -4.252098 2.349703 
1 1 1   -9   23   24 o   54.565   1.0729  2884.46  111.346  2966.35  177.217  2831.05  143.124   55.187   1.6543   53.943   1.3668 1.243347 2.145882 
1 1 1   -9   23   25 o   38.170   0.9983  1452.43   71.070  1556.97   90.823  1287.32  114.145   40.004   1.1696   36.336   1.6183 3.668297 1.996687 
1 1 1   -9   23   26 o   14.815   2.2381  233.353   61.257  263.048   76.812  181.468  101.532   16.353   2.4198   13.277   3.7657 3.075253 4.476118 
1 1 1   -9   23   27 o   63.587   1.1253  3941.48  137.761  4055.84  209.923  3854.98  182.574   64.366   1.6801   62.807   1.4975 1.558838 2.250605 
1 1 1   -9   23   28 o   73.515   1.1675  5312.46  165.846  5192.24  245.000  5414.15  225.317   72.704   1.7360   74.326   1.5617 -1.621788 2.335033 
1 1 1   -9   23   29 o   25.708   1.8111  640.600   88.447  791.495  144.456  550.107  111.868   28.006   2.6572   23.411   2.4616 4.594387 3.622172 
1 1 1   -9   23   30 o   23.382   2.2311  615.620   88.268  439.579  147.027  714.824  110.371   20.023   3.9230   26.741   2.1262 -6.717855 4.462139 
1 1 1   -9   23   31 o   23.507   2.0728  576.998   93.298  565.163  142.979  585.774  123.123   23.154   3.1811   23.860   2.6583 -0.7054977 4.145589 
1 1 1   -9   23   32 o   11.090   3.1123  110.109  100.794  156.782  147.056   68.756  138.423   12.050   4.5690   10.130   4.2273 1.919906 6.224644 
1 1 1   -9   24    1 o  122.514   0.8978 14570.06  213.517 14762.23  303.231 14381.08  300.702  123.315   1.2668  121.713   1.2727 1.602463 1.795690 
1 1 1   -9   24    2 o  188.371   1.1277 34452.82  412.309 34640.42  579.792 34260.89  586.451  188.890   1.5812  187.851   1.6082 1.038589 2.255388 
1 1 1   -9   24    3 o  146.810   1.1715 20966.49  319.461 21065.92  398.200 20786.93  535.136  147.306   1.3926  146.313   1.8842 0.9931183 2.342916 
1 1 1   -9   24    4 o   88.317   1.6538  7834.96  170.555  7902.68  180.246  7255.51  527.234   90.228   1.0291   86.406   3.1434 3.821747 3.307531 
1 1 1   -9   24    5 o  219.279   1.8156 46583.00  747.668 46215.06  942.772 47206.63  1227.39  218.139   2.2264  220.419   2.8686 -2.280441 3.631218 
1 1 1   -9   24    6 o  181.797   2.0345 31974.71  703.452 32802.68  1119.02 31433.72  904.527  183.715   3.1378  179.879   2.5905 3.835754 4.068945 
1 1 1   -9   24    7 o  246.539   2.5915 59190.93  1183.79 58847.22  1995.17 59377.67  1470.62  245.912   4.1796  247.167   3.0651 -1.254425 5.183040 
1 1 1   -9   24    8 o  118.225   2.7013 14075.01  424.105 14259.32  457.696 12955.81  1127.85  121.168   1.9459  115.282   5.0400 5.886505 5.402568 
1 1 1   -9   24    9 o  123.195   2.6842 15029.41  443.224 15129.20  478.358 14423.97  1178.27  124.800   1.9746  121.590   4.9921 3.209877 5.368407 
1 1 1   -9   24   10 o  164.441   2.7365 26883.17  690.419 27240.73  771.695 25448.87  1545.57  167.418   2.3745  161.464   4.9311 5.954773 5.473081 
1 1 1   -9   24   11 o  110.669   3.2613 12203.73  383.152 12255.02  400.265 11642.06  1324.54  112.322   1.8358  109.016   6.2590 3.306129 6.522689 
1 1 1   -9   24   12 o   86.449   1.0931  7258.72  183.415  7189.27  260.616  7326.87  258.177   86.038   1.5604   86.859   1.5312 -0.8204346 2.186227 
1 1 1   -9   24   13 o   88.330   1.0936  7566.92  187.125  7748.97  274.922  7409.78  255.423   89.316   1.5857   87.343   1.5065 1.973244 2.187207 
1 1 1   -9   24   14 o  137.444   1.4126 18307.79  367.139 18613.23  592.481 18117.40  467.772  138.348   2.2062  136.541   1.7649 1.807693 2.825207 
1 1 1   -9   24   15 o   58.463   2.2045  3501.78  118.395  3141.57  471.154  3526.05  122.320   56.668   4.2831   60.259   1.0457 -3.591629 4.408940 
1 1 1   -9   24   16 o  115.468   1.9198 13167.77  336.406 12697.99  767.597 13279.45  374.263  114.044   3.4673  116.892   1.6494 -2.847198 3.839649 
1 1 1   -9   24   17 o   60.846   2.7236  4080.94  142.534  3135.12  582.679  4141.13  147.000   56.397   5.3224   65.295   1.1598 -8.898067 5.447277 
1 1 1   -9   24   18 o   71.470   2.9227  5055.87  172.667  4957.73  784.008  5060.87  177.013   70.766   5.7073   72.174   1.2635 -1.408127 5.845464 
1 1 1   -9   24   19 o   29.854   4.5567  760.914   65.524  1063.46  583.581  757.051   65.941   31.794   9.0318   27.915   1.2169 3.879187 9.113461 
1 1 1   -9   24   20 f   83.048   1.4383  6704.46  231.867   0.0000   0.0000  6704.46  231.867  ?   ?    83.048   1.4383      ?      ? 
1 1 1   -9   24   21 o   91.876   1.6639  8213.52  296.755   0.0000   0.0000  8213.52  296.755  ?   ?    91.876   1.6639      ?      ? 
1 1 1   -9   24   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   24   23 o   88.489   1.1630  7623.21  199.755  7637.07  281.227  7609.09  283.783   88.571   1.6357   88.406   1.6536 0.1653137 2.325931 
1 1 1   -9   24   24 o   38.312   0.9164  1431.85   65.668  1443.00   82.666  1412.77  108.111   38.526   1.1054   38.097   1.4619 0.4292259 1.832735 
1 1 1   -9   24   25 o   48.712   0.8673  2236.97   77.817  2092.99   94.652  2537.26  136.691   46.388   1.0511   51.035   1.3798 -4.647449 1.734545 
1 1 1   -9   24   26 o   8.2438   2.3644   29.084   56.775   22.522   70.526   41.166   95.700   7.5148   3.0643   8.9728   3.6015 -1.458052 4.728771 
1 1 1   -9   24   27 o   23.606   1.3964  535.256   61.688  503.721   76.605  593.423  104.041   22.672   1.7407   24.540   2.1841 -1.868452 2.792847 
1 1 1   -9   24   28 o   16.925   1.9381  277.097   60.907  223.090   76.946  367.708   99.667   14.686   2.8013   19.163   2.6793 -4.477257 3.876291 
1 1 1   -9   24   29 o   12.131   2.3421  170.877   62.441  232.212   76.654   49.909  107.650   14.925   2.7470   9.3363   3.7941 5.588535 4.684174 
1 1 1   -9   24   30 o   16.353   2.4800  293.035   75.756  308.200  100.282  272.877  115.619   17.013   3.1527   15.693   3.8292 1.319551 4.960075 
1 1 1   -9   24   31 o   9.7430   2.8662   39.166   87.530  115.857  145.244  -4.5702  109.686   11.341   4.4743   8.1454   3.5833 3.195170 5.732320 
1 1 1   -9   24   32 o   11.619   3.0475  136.267   91.599  208.802  143.244   86.087  119.142   13.187   4.5779   10.051   4.0240 3.136457 6.095045 
1 1 1   -9   25    1 o   77.760   0.7693  5893.80  112.214  5965.09  141.977  5775.15  183.167   78.391   0.9330   77.130   1.2234 1.261322 1.538558 
1 1 1   -9   25    2 o  227.671   1.4222 50040.35  603.442 49298.35  751.669 51385.51  1012.07  225.327   1.7185  230.015   2.2667 -4.687317 2.844476 
1 1 1   -9   25    3 o  113.366   1.0298 12560.60  218.355 12797.62  275.644 12161.29  357.778  114.816   1.2367  111.916   1.6468 2.899651 2.059527 
1 1 1   -9   25    4 o  218.450   1.7025 46805.24  674.784 47654.97  823.556 45069.53  1177.04  221.528   1.9151  215.372   2.8154 6.155411 3.405016 
1 1 1   -9   25    5 o  244.890   3.0034 58281.56  1427.72 58281.56  1427.72   0.0000   0.0000  244.890   3.0034  ?   ?       ?      ? 
1 1 1   -9   25    6 o   92.734   1.1392  8333.04  204.646  8105.98  278.991  8597.50  301.098   91.370   1.5730   94.097   1.6484 -2.727608 2.278491 
1 1 1   -9   25    7 o  210.706   2.2928 43146.34  908.685 43268.08  1482.05 43073.00  1150.26  210.896   3.6202  210.516   2.8148 0.3807983 4.585694 
1 1 1   -9   25    8 o  170.362   3.1655 28296.67  1044.20 28441.90  1429.09 28130.33  1529.46  170.857   4.3089  169.867   4.6383 0.9897614 6.330917 
1 1 1   -9   25    9 o  121.938   2.7137 14571.28  429.384 14602.80  460.180 14359.16  1193.81  122.606   1.9335  121.270   5.0713 1.336082 5.427355 
1 1 1   -9   25   10 o   96.895   3.0838  8929.73  297.513  8893.35  308.371  9419.28  1131.14   95.691   1.6601   98.099   5.9400 -2.407768 6.167636 
1 1 1   -9   25   11 f  112.743   3.4868 13388.66  424.135 13605.93  445.269 11261.49  1393.22  118.345   1.9382  107.140   6.6989 11.20541 6.973657 
1 1 1   -9   25   12 o  233.932   2.0099 53200.87  909.007 53635.97  1349.91 52839.89  1229.57  234.783   2.9619  233.080   2.7176 1.702728 4.019717 
1 1 1   -9   25   13 o   69.537   0.9475  4725.80  127.006  4375.99  186.578  5027.87  173.376   67.121   1.4320   71.954   1.2413 -4.832603 1.895086 
1 1 1   -9   25   14 o   65.754   0.9025  4184.25  112.129  4264.67  181.420  4134.53  142.635   66.259   1.4105   65.250   1.1261 1.008865 1.804901 
1 1 1   -9   25   15 o   65.774   0.8729  4161.40  108.772  4383.73  176.042  4024.10  138.339   67.177   1.3500   64.372   1.1071 2.805588 1.745890 
1 1 1   -9   25   16 o   19.108   3.5708  253.582   43.269  484.039  337.212  249.724   43.630   22.183   7.0026   16.033   1.4019 6.150366 7.141561 
1 1 1   -9   25   17 o  143.841   1.9227 20158.68  446.440 20191.66  946.349 20149.24  506.322  143.740   3.3916  143.941   1.8121 -0.2008667 3.845347 
1 1 1   -9   25   18 o   38.552   4.8548  2111.63   89.081  930.423  640.047  2134.96   89.957   30.218   9.6591   46.886   0.9884 -16.66789 9.709516 
1 1 1   -9   25   19 o   10.026   2.7341  101.203   54.679   0.0000   0.0000  101.203   54.679  ?   ?    10.026   2.7341      ?      ? 
1 1 1   -9   25   20 o   46.511   1.1057  2101.67   99.828   0.0000   0.0000  2101.67   99.828  ?   ?    46.511   1.1057      ?      ? 
1 1 1   -9   25   21 o   80.021   1.0480  6217.96  162.657  6471.39  236.075  5988.91  224.430   81.570   1.4909   78.472   1.4733 3.097740 2.096078 
1 1 1   -9   25   22 o   92.731   1.1958  8369.85  215.206  8509.65  308.115  8236.68  300.713   93.486   1.6979   91.976   1.6843 1.509262 2.391552 
1 1 1   -9   25   23 o   22.139   1.2573  480.672   53.531  505.199   72.129  450.599   79.869   22.779   1.6312   21.500   1.9137 1.278849 2.514604 
1 1 1   -9   25   24 o   23.285   1.2892  549.609   55.678  622.004   72.147  443.000   87.551   25.275   1.4705   21.294   2.1181 3.980906 2.578465 
1 1 1   -9   25   25 f   32.111   1.0494  996.528   64.386  957.897   83.255  1054.01  101.559   31.355   1.3679   32.868   1.5918 -1.513035 2.098773 
1 1 1   -9   25   26 o   49.698   0.8660  2441.66   81.394  2581.73  105.729  2237.88  127.531   51.498   1.0576   47.898   1.3716 3.600292 1.732031 
1 1 1   -9   25   27 o   37.887   0.9587  1392.98   69.561  1349.97   90.609  1454.71  108.554   37.196   1.2549   38.578   1.4496 -1.381905 1.917327 
1 1 1   -9   25   28 o   20.145   1.5868  396.941   61.409  327.726   81.696  486.845   93.109   18.142   2.3198   22.148   2.1657 -4.005812 3.173551 
1 1 1   -9   25   29 o   25.820   1.6909  658.588   84.750  658.588   84.750   0.0000   0.0000   25.820   1.6909  ?   ?       ?      ? 
1 1 1   -9   25   30 o   9.6884   2.4856   52.455   63.303 -11.7533   78.579  171.167  106.846   6.8791   3.0294   12.498   3.9414 -5.618650 4.971104 
1 1 1   -9   25   31 o   12.450   2.5808  170.982   63.581  167.842   76.984  177.721  112.770   12.357   3.1882   12.543   4.0591 -0.1865816 5.161530 
1 1 1   -9   25   32 o   21.516   1.9006  487.910   74.742  490.129   91.968  483.593  128.272   21.882   2.1652   21.150   3.1244 0.7316532 3.801261 
1 1 1   -9   26    1 o  268.100   1.5234 69971.91  765.867 70442.39  967.149 69180.79  1254.13  269.335   1.8498  266.865   2.4209 2.469666 3.046788 
1 1 1   -9   26    2 o  137.854   1.1661 18423.21  297.701 18356.67  368.967 18547.34  503.931  137.505   1.3823  138.202   1.8784 -0.6961670 2.332215 
1 1 1   -9   26    3 o   53.235   0.7348  2711.05   67.742  2664.03   79.180  2839.45  130.845   52.388   0.7786   54.082   1.2464 -1.693584 1.469566 
1 1 1   -9   26    4 o  431.439   1.8493 180837.70  1518.21 180769.70  1961.73 180939.41  2397.31  431.382   2.3427  431.495   2.8621 -0.1129456 3.698611 
1 1 1   -9   26    5 o  119.310   1.1404 13784.58  231.997 13743.84  269.692 13900.53  454.975  118.984   1.1677  119.636   1.9591 -0.6518555 2.280701 
1 1 1   -9   26    6 o  182.450   3.1351 32367.16  1110.36 32367.16  1110.36   0.0000   0.0000  182.450   3.1351  ?   ?       ?      ? 
1 1 1   -9   26    7 o   84.100   1.0497  6864.83  171.296  6768.26  238.197  6968.27  246.515   83.488   1.4698   84.712   1.4991 -1.223801 2.099418 
1 1 1   -9   26    8 o   28.665   5.1182  704.556   82.571  702.093   83.155  878.084  697.930   26.888   1.5932   30.442   10.112 -3.554085 10.23637 
1 1 1   -9   26    9 o   39.532   6.5518  1577.66  489.214  1401.04  638.255  1829.21  761.706   36.916   8.9903   42.149   9.5329 -5.232891 13.10353 
1 1 1   -9   26   10 o   60.688   4.7586  3938.96  159.500  3954.34  161.361  3283.27  1053.40   63.816   1.3026   57.560   9.4277 6.256298 9.517262 
1 1 1   -9   26   11 f  180.799   2.9954 32685.43  825.661 33205.22  921.752 30575.07  1857.28  184.801   2.5695  176.798   5.4117 8.003006 5.990742 
1 1 1   -9   26   12 o  134.552   3.3012 18518.49  555.425 18786.87  593.722 16637.09  1571.96  139.015   2.2002  130.090   6.2249 8.924759 6.602303 
1 1 1   -9   26   13 o   76.546   0.9840  5691.58  146.006  5687.87  212.167  5694.93  201.233   76.521   1.4283   76.571   1.3538 -0.5066681E-01 1.968011 
1 1 1   -9   26   14 o  130.591   1.3718 16544.19  341.058 16758.99  539.376 16401.10  440.240  131.276   2.1166  129.907   1.7458 1.369019 2.743691 
1 1 1   -9   26   15 o   50.509   0.7968  2469.29   74.404  2505.02  126.664  2450.47   91.937   50.782   1.2849   50.236   0.9428 0.5466156 1.593697 
1 1 1   -9   26   16 o   66.566   5.0498  4598.66  153.817  4223.75  1251.91  4604.40  154.991   64.281   10.033   68.852   1.1596 -4.570587 10.09963 
1 1 1   -9   26   17 o   35.493   4.3731  1598.97   72.677  953.218  537.962  1610.98   73.350   30.257   8.6968   40.730   0.9277 -10.47331 8.746130 
1 1 1   -9   26   18 o   65.814   1.1535  4207.67  147.366   0.0000   0.0000  4207.67  147.366  ?   ?    65.814   1.1535      ?      ? 
1 1 1   -9   26   19 f   21.931   0.9709  467.791   41.245  462.124   60.131  472.827   56.680   21.804   1.4206   22.058   1.3237 -0.2531872 1.941788 
1 1 1   -9   26   20 o   32.155   0.8466  1000.96   52.693  1053.37   78.124  957.212   71.372   32.923   1.2224   31.386   1.1715 1.537066 1.693106 
1 1 1   -9   26   21 o   91.658   1.1677  8171.42  207.714  7947.13  290.775  8405.13  296.824   90.373   1.6575   92.942   1.6452 -2.569374 2.335384 
1 1 1   -9   26   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   26   23 o   29.813   0.9744  845.696   55.457  766.979   71.055  968.379   88.707   28.081   1.3035   31.545   1.4486 -3.464317 1.948772 
1 1 1   -9   26   24 o   59.525   0.8299  3423.92   93.512  3346.91  119.052  3547.98  151.095   58.670   1.0453   60.379   1.2891 -1.708710 1.659700 
1 1 1   -9   26   25 o   39.387   0.9096  1528.83   68.574  1648.04   92.035  1380.06  102.815   41.147   1.1523   37.626   1.4077 3.520432 1.819129 
1 1 1   -9   26   26 o   17.379   1.7810  300.406   56.756  210.360   76.468  410.854   84.689   14.317   2.8517   20.441   2.1343 -6.124009 3.561939 
1 1 1   -9   26   27 o   58.893   0.8572  3415.89   96.143  3566.24  126.059  3206.81  148.649   60.490   1.0736   57.295   1.3365 3.194687 1.714303 
1 1 1   -9   26   28 o   33.169   1.0085  1092.87   63.982  1188.68   86.056  974.438   95.677   34.851   1.2720   31.488   1.5653 3.363264 2.016989 
1 1 1   -9   26   29 o   31.897   1.0935  1008.52   67.189  1068.64   91.406  937.864   99.099   32.972   1.4281   30.822   1.6563 2.150179 2.186979 
1 1 1   -9   26   30 f   12.595   2.4768  174.463   62.467  176.221   83.021  172.169   94.837   12.697   3.3280   12.493   3.6691 0.2035456 4.953573 
1 1 1   -9   26   31 o   11.658   2.5358  153.166   63.378  171.230   81.716  125.894  100.404   12.414   3.3246   10.903   3.8300 1.510533 5.071631 
1 1 1   -9   26   32 o   8.0490   2.4453   12.428   66.107 -13.6932   82.042   60.783  111.624   6.8337   3.0475   9.2642   3.8251 -2.430567 4.890687 
1 1 1   -9   27    1 f  216.518   1.4227 45784.96  575.911 46494.41  725.946 44580.24  945.980  218.814   1.7091  214.221   2.2749 4.592606 2.845339 
1 1 1   -9   27    2 o   45.463   0.7209  1986.51   55.713  1965.57   64.538  2047.76  110.377   44.999   0.7388   45.927   1.2381 -0.9273071 1.441772 
1 1 1   -9   27    3 o  269.727   1.5460 70605.18  779.463 70427.02  977.666 70915.98  1291.31  269.290   1.8703  270.163   2.4623 -0.8730469 3.092047 
1 1 1   -9   27    4 o  122.153   1.1346 14557.74  258.373 14739.44  324.154 14241.18  427.848  123.211   1.3553  121.094   1.8201 2.116791 2.269290 
1 1 1   -9   27    5 o  193.722   1.5912 36465.23  551.243 36471.71  661.525 36450.48  997.123  193.788   1.7585  193.656   2.6525 0.1320038 3.182472 
1 1 1   -9   27    6 o   95.208   1.1462  8782.78  211.511  8448.96  289.609  9164.37  309.640   93.275   1.5995   97.142   1.6420 -3.867264 2.292314 
1 1 1   -9   27    7 o  196.117   2.6232 37390.51  998.657 37390.51  998.657   0.0000   0.0000  196.117   2.6232  ?   ?       ?      ? 
1 1 1   -9   27    8 o  135.578   2.7886 18266.36  518.586 18419.33  562.547 17400.83  1338.15  137.686   2.1048  133.470   5.1648 4.215881 5.577244 
1 1 1   -9   27    9 o  152.907   3.0098 23176.78  721.330 23454.97  811.723 22132.24  1572.88  155.321   2.6922  150.493   5.3841 4.827560 6.019681 
1 1 1   -9   27   10 o  143.791   3.1646 21291.27  623.157 21789.80  678.585 18608.13  1574.26  149.729   2.3347  137.853   5.8829 11.87625 6.329292 
1 1 1   -9   27   11 o   80.763   4.1214  6362.00  230.057  6359.53  233.936  6434.82  1268.56   80.918   1.4893   80.608   8.1071 0.3100586 8.242772 
1 1 1   -9   27   12 o   86.228   4.1241  7259.06  259.334  7255.03  264.239  7364.54  1352.26   86.417   1.5752   86.040   8.0964 0.3765564 8.248243 
1 1 1   -9   27   13 o   27.767   1.0209  793.015   35.276  692.902   99.897  807.277   37.705   26.698   1.9276   28.837   0.6736 -2.139273 2.041868 
1 1 1   -9   27   14 o   74.656   0.9718  5422.90  138.303  5369.05  216.615  5459.96  179.697   74.337   1.5011   74.976   1.2347 -0.6394196 1.943664 
1 1 1   -9   27   15 o   89.729   1.0797  7773.37  184.878  8090.01  291.985  7561.47  238.857   91.236   1.6486   88.222   1.3947 3.013962 2.159479 
1 1 1   -9   27   16 o   52.979   0.9784  2725.75  100.625   0.0000   0.0000  2725.75  100.625  ?   ?    52.979   0.9784      ?      ? 
1 1 1   -9   27   17 o   68.398   1.1769  4544.58  156.256   0.0000   0.0000  4544.58  156.256  ?   ?    68.398   1.1769      ?      ? 
1 1 1   -9   27   18 o   38.147   0.7228  1405.61   53.253  1487.93   80.213  1340.72   71.211   39.139   1.0558   37.154   0.9874 1.984810 1.445523 
1 1 1   -9   27   19 o   31.183   0.8276  937.976   49.822  1007.27   75.392  884.252   66.384   32.197   1.2063   30.169   1.1335 2.028158 1.655296 
1 1 1   -9   27   20 o  124.749   1.5421 15155.99  373.221 15586.18  539.222 14760.36  517.102  126.443   2.1969  123.055   2.1648 3.387436 3.084244 
1 1 1   -9   27   21 o   86.821   1.1155  7334.03  187.986  7183.62  264.984  7486.42  266.729   85.923   1.5887   87.718   1.5664 -1.795280 2.231089 
1 1 1   -9   27   22 o  103.027   1.3019 10333.27  260.203 10563.77  376.093 10121.63  360.376  104.124   1.8607  101.930   1.8213 2.194054 2.603740 
1 1 1   -9   27   23 o   24.500   1.2705  601.590   58.721  482.249   87.920  697.695   78.899   22.229   2.0375   26.770   1.5183 -4.540894 2.540972 
1 1 1   -9   27   24 o   42.987   0.8247  1781.00   68.020  1693.32   88.738  1905.91  105.917   41.723   1.0956   44.252   1.2330 -2.528717 1.649469 
1 1 1   -9   27   25 o   78.955   0.9501  6100.18  140.549  6169.92  177.518  5983.03  230.089   79.607   1.1487   78.303   1.5137 1.303947 1.900278 
1 1 1   -9   27   26 o   33.095   0.9636  1062.85   61.603  1009.35   82.402  1130.63   92.753   32.162   1.3199   34.027   1.4042 -1.865360 1.927132 
1 1 1   -9   27   27 o   16.289   1.8459  268.578   56.871  242.878   80.373  294.349   80.481   15.362   2.7983   17.217   2.4081 -1.854496 3.691830 
1 1 1   -9   27   28 o   13.289   2.2280  186.981   56.466  179.995   76.747  195.227   83.375   13.034   3.0818   13.545   3.2185 -0.5110188 4.456061 
1 1 1   -9   27   29 o   52.146   0.8984  2647.10   88.936  2575.21  113.724  2760.29  142.702   51.293   1.1422   52.999   1.3871 -1.705788 1.796797 
1 1 1   -9   27   30 o   22.794   1.5311  525.955   65.704  532.728   83.765  515.122  105.928   23.095   1.8685   22.493   2.4261 0.6017704 3.062195 
1 1 1   -9   27   31 o   11.321   2.6883  139.613   68.516  132.647   87.634  150.566  109.892   10.989   3.5798   11.653   4.0117 -0.6643715 5.376678 
1 1 1   -9   28    1 o   88.891   0.9047  7732.35  147.332  7859.13  181.397  7486.60  252.553   89.975   1.0386   87.806   1.4817 2.168472 1.809452 
1 1 1   -9   28    2 o   64.463   0.7907  3972.29   89.755  3889.99  105.961  4181.33  168.873   63.303   0.8623   65.624   1.3257 -2.320885 1.581436 
1 1 1   -9   28    3 o  213.003   1.4203 44088.37  563.543 44127.45  704.223 44018.79  939.728  213.159   1.7019  212.846   2.2744 0.3135223 2.840697 
1 1 1   -9   28    4 o  104.490   1.0089 10569.63  192.481 10507.76  234.852 10696.23  335.940  104.034   1.1629  104.947   1.6490 -0.9131393 2.017852 
1 1 1   -9   28    5 o  156.541   1.3781 23522.18  374.420 23182.21  438.545 24436.44  719.158  154.509   1.4622  158.573   2.3363 -4.064285 2.756127 
1 1 1   -9   28    6 o  263.685   2.2088 67628.86  1129.83 67320.92  1567.75 67961.61  1629.69  263.070   3.0700  264.299   3.1765 -1.228027 4.417562 
1 1 1   -9   28    7 o   90.471   2.8096  7869.52  261.372  7850.89  271.770  8099.04  954.049   89.912   1.5571   91.031   5.3991 -1.119125 5.619105 
1 1 1   -9   28    8 o   90.654   1.5956  7981.30  280.789  7981.30  280.789   0.0000   0.0000   90.654   1.5956  ?   ?       ?      ? 
1 1 1   -9   28    9 o  117.470   3.3348 13225.86  407.471 13181.59  424.047 13759.12  1471.76  116.486   1.8753  118.454   6.4006 -1.967537 6.669688 
1 1 1   -9   28   10 o   79.692   4.8058  7767.17  277.602  7918.02  284.474  4757.15  1270.69   90.286   1.6231   69.098   9.4735 21.18842 9.611547 
1 1 1   -9   28   11 o  103.978   3.7974 11275.69  370.364 11378.90  383.498  9845.83  1427.41  108.211   1.8257   99.746   7.3721 8.465508 7.594758 
1 1 1   -9   28   12 o   34.951   6.4208  1376.81   96.721  1381.52   97.042  668.331  1190.08   37.714   1.3255   32.188   12.773 5.525772 12.84168 
1 1 1   -9   28   13 o  102.017   1.2692 10113.71  251.245 10047.95  349.890 10183.71  360.997  101.676   1.7727  102.357   1.8168 -0.6810150 2.538419 
1 1 1   -9   28   14 o  146.691   1.6679 20951.48  474.719 21415.17  666.671 20474.53  676.138  148.345   2.3151  145.036   2.4016 3.309021 3.335758 
1 1 1   -9   28   15 o   95.138   1.0928  8836.34  199.047  8540.81  305.230  9055.01  262.555   93.737   1.6775   96.539   1.4010 -2.802155 2.185591 
1 1 1   -9   28   16 o   64.034   1.1236  3982.77  139.667   0.0000   0.0000  3982.77  139.667  ?   ?    64.034   1.1236      ?      ? 
1 1 1   -9   28   17 o   66.197   3.5437  4287.44  455.364   0.0000   0.0000  4287.44  455.364  ?   ?    66.197   3.5437      ?      ? 
1 1 1   -9   28   18 o   53.200   0.7717  2750.72   79.617  2714.18  114.702  2784.68  110.601   52.858   1.1179   53.542   1.0641 -0.6843109 1.543392 
1 1 1   -9   28   19 o   40.797   0.7700  1617.07   60.806  1615.20   89.410  1618.68   82.938   40.773   1.1297   40.820   1.0467 -0.4690933E-01 1.540032 
1 1 1   -9   28   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   28   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   28   22 o   43.451   0.8324  1840.47   70.006  1745.23  101.181  1927.93   96.961   42.366   1.2303   44.535   1.1216 -2.169113 1.664801 
1 1 1   -9   28   23 o  118.359   1.4814 13681.91  340.346 13516.20  479.471 13850.20  483.194  117.635   2.0997  119.083   2.0903 -1.447922 2.962784 
1 1 1   -9   28   24 o   17.523   1.4571  302.407   49.237  334.235   68.632  268.654   70.677   18.489   1.9123   16.556   2.1991 1.932402 2.914259 
1 1 1   -9   28   25 o   67.531   0.8689  4390.61  110.490  4235.40  139.056  4656.41  181.975   65.959   1.0860   69.102   1.3566 -3.142517 1.737782 
1 1 1   -9   28   26 o   23.971   1.2304  560.756   56.879  476.871   77.880  656.651   83.269   22.047   1.8197   25.895   1.6565 -3.847897 2.460778 
1 1 1   -9   28   27 o   27.493   1.1212  743.991   59.631  776.665   82.241  707.769   86.590   28.146   1.5052   26.839   1.6620 1.306767 2.242328 
1 1 1   -9   28   28 o   38.670   0.8985  1460.17   67.149  1411.72   90.215  1520.35  100.550   37.967   1.2241   39.373   1.3156 -1.406334 1.796968 
1 1 1   -9   28   29 o   7.0993   2.2033 -27.7070   60.368 -79.1497   82.243   32.389   88.891   5.9126   2.7831   8.2860   3.4165 -2.373428 4.406601 
1 1 1   -9   28   30 f   18.638   1.8359  356.463   65.776  353.141   87.102  360.872  100.337   18.608   2.4114   18.667   2.7689 -0.5943108E-01 3.671755 
1 1 1   -9   28   31 o   14.801   2.4235  246.848   67.363  247.459   87.245  245.945  106.000   14.998   3.0991   14.603   3.7269 0.3951588 4.847098 
1 1 1   -9   29    1 o  149.269   1.2991 21754.93  346.412 21932.11  416.223 21355.57  624.881  150.286   1.4267  148.251   2.1714 2.034821 2.598151 
1 1 1   -9   29    2 o   64.180   0.7703  4000.89   88.920  4003.87  107.214  3994.32  159.156   64.222   0.8600   64.139   1.2783 0.8335114E-01 1.540678 
1 1 1   -9   29    3 o  100.672   0.9727  9847.41  179.401  9860.34  220.036  9821.77  309.848  100.777   1.1248  100.565   1.5872 0.2121277 1.945341 
1 1 1   -9   29    4 o   30.541   0.9048  882.886   40.573  871.234   44.472  940.728   99.084   29.958   0.7647   31.123   1.6401 -1.164118 1.809598 
1 1 1   -9   29    5 o  135.409   1.0955 17904.45  260.634 18038.73  309.355 17575.97  483.838  136.306   1.1692  134.513   1.8530 1.793030 2.191006 
1 1 1   -9   29    6 o   72.669   0.7999  5100.99   95.809  5077.94  109.485  5176.35  197.967   72.326   0.7798   73.012   1.3968 -0.6857986 1.599741 
1 1 1   -9   29    7 o   95.535   2.8247  8976.98  292.574  8994.72  306.098  8789.44  995.290   96.236   1.6385   94.834   5.4065 1.402069 5.649387 
1 1 1   -9   29    8 o   25.220   5.3415  676.306   88.644  684.295   89.027 -244.4440  955.804   26.542   1.7279   23.897   10.542 2.645691 10.68310 
1 1 1   -9   29    9 o  103.997   1.7057 10506.30  344.344 10506.30  344.344   0.0000   0.0000  103.997   1.7057  ?   ?       ?      ? 
1 1 1   -9   29   10 o   61.710   5.8087  4266.79  171.832  4283.83  173.525  3406.03  1233.10   66.414   1.3460   57.006   11.539 9.407745 11.61737 
1 1 1   -9   29   11 o   70.516   4.8125  4698.34  187.951  4689.00  189.878  5151.47  1322.53   69.478   1.4079   71.554   9.5216 -2.075363 9.625075 
1 1 1   -9   29   12 o   71.494   5.1369  5297.19  204.541  5307.79  206.881  4836.17  1363.86   73.917   1.4418   69.070   10.172 4.847168 10.27388 
1 1 1   -9   29   13 o  115.211   1.4144 12917.82  315.857 13114.83  437.052 12702.41  456.994  116.138   1.9386  114.284   2.0600 1.853882 2.828727 
1 1 1   -9   29   14 o   54.241   0.8472  2874.63   85.320  2798.49  142.383  2917.28  106.573   53.672   1.3666   54.811   1.0017 -1.138962 1.694387 
1 1 1   -9   29   15 o   40.401   0.8942  1597.49   58.111  1564.69  123.186  1606.87   65.905   40.121   1.5817   40.680   0.8346 -0.5589638 1.788367 
1 1 1   -9   29   16 o   45.846   0.7906  2017.76   66.116  2111.04  116.514  1973.46   80.296   46.613   1.2877   45.080   0.9176 1.533077 1.581156 
1 1 1   -9   29   17 o   70.841   0.9160  4866.59  125.840  4645.84  173.383  5112.32  182.931   69.147   1.2917   72.535   1.2992 -3.387955 1.832070 
1 1 1   -9   29   18 o   75.283   0.9702  5508.69  141.767  5499.45  201.946  5517.67  199.064   75.220   1.3831   75.346   1.3610 -0.1262360 1.940418 
1 1 1   -9   29   19 o  154.148   1.8897 23198.26  565.303 23628.41  810.639 22791.05  788.729  155.534   2.6849  152.762   2.6598 2.771851 3.779335 
1 1 1   -9   29   20 o   24.998   1.0702  623.224   50.561  518.786   76.603  703.845   67.304   23.088   1.7092   26.908   1.2885 -3.820282 2.140489 
1 1 1   -9   29   21 o   60.910   0.8848  3606.77  104.593  3514.06  147.105  3701.56  148.743   60.118   1.2605   61.702   1.2419 -1.584599 1.769518 
1 1 1   -9   29   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   29   23 o   27.757   1.1207  760.938   59.377  684.215   89.818  820.495   79.135   26.486   1.7470   29.029   1.4043 -2.543163 2.241455 
1 1 1   -9   29   24 o   37.776   0.8367  1391.03   61.229  1421.54   84.467  1357.25   88.884   38.217   1.1386   37.334   1.2264 0.8825073 1.673486 
1 1 1   -9   29   25 o   58.203   0.8290  3299.64   92.181  3295.02  120.119  3306.27  143.774   58.174   1.0637   58.233   1.2719 -0.5976105E-01 1.658045 
1 1 1   -9   29   26 o   46.998   0.8235  2152.29   74.525  2140.66   99.194  2167.37  112.923   46.866   1.0903   47.130   1.2343 -0.2640724 1.646911 
1 1 1   -9   29   27 o   39.622   0.8805  1530.34   67.552  1469.12   91.667  1603.10   99.933   38.764   1.2182   40.480   1.2717 -1.715912 1.761057 
1 1 1   -9   29   28 o   15.616   1.8887  250.416   56.058  249.952   80.667  250.849   77.959   15.472   2.7885   15.760   2.5482 -0.2887640 3.777458 
1 1 1   -9   29   29 o   17.980   1.7301  328.592   60.075  290.948   84.730  366.645   85.190   16.897   2.5832   19.062   2.3023 -2.164549 3.460253 
1 1 1   -9   29   30 o   8.8797   2.4690   57.626   61.986   38.181   81.533   84.257   95.417   8.0838   3.2954   9.6756   3.6776 -1.591810 4.938048 
1 1 1   -9   29   31 o   7.1992   2.2429 -28.0098   64.375 -97.1132   89.454   46.220   92.713   5.8912   2.8104   8.5071   3.4963 -2.615871 4.485787 
1 1 1   -9   30    1 o   89.910   0.9233  7894.14  152.007  7986.63  186.824  7713.00  261.461   90.700   1.0611   89.120   1.5114 1.579605 1.846659 
1 1 1   -9   30    2 f  187.051   1.3526 33930.41  471.735 33780.38  589.481 34197.60  786.671  186.499   1.6283  187.602   2.1602 -1.102951 2.705120 
1 1 1   -9   30    3 o   97.546   0.9494  9244.97  170.275  9256.94  209.601  9221.74  292.001   97.646   1.1058   97.446   1.5437 0.1993179 1.898869 
1 1 1   -9   30    4 o  121.975   1.1008 14498.22  248.338 14613.84  308.221 14284.28  419.275  122.681   1.2943  121.269   1.7811 1.412643 2.201671 
1 1 1   -9   30    5 o  107.274   0.9715 11208.42  181.514 11252.08  214.023 11096.55  342.590  107.658   1.0241  106.890   1.6511 0.7677689 1.942920 
1 1 1   -9   30    6 o   63.913   0.7550  3863.04   75.650  3794.21   84.493  4141.19  169.851   62.520   0.6962   65.306   1.3398 -2.785728 1.509928 
1 1 1   -9   30    7 o  173.680   2.8249 29651.09  754.997 29814.81  842.997 28987.43  1697.24  175.125   2.4798  172.235   5.0764 2.889587 5.649701 
1 1 1   -9   30    8 o   82.659   3.8156  6717.31  232.081  6719.66  236.592  6657.23  1194.13   83.180   1.4653   82.139   7.4893 1.041306 7.631287 
1 1 1   -9   30    9 o  106.446   3.3074 10109.37  331.443  9978.88  341.404 12248.08  1382.17  101.343   1.7354  111.548   6.3832 -10.20400 6.614885 
1 1 1   -9   30   10 o  132.829   2.0780 17154.02  535.802 17154.02  535.802   0.0000   0.0000  132.829   2.0780  ?   ?       ?      ? 
1 1 1   -9   30   11 o   44.708   6.7542  2256.45  122.418  2261.53  123.024  1744.56  1235.76   48.253   1.3134   41.164   13.444 7.089020 13.50849 
1 1 1   -9   30   12 o   14.974   5.6273 -61.1037   95.148 -54.0523   95.423 -1280.2190  1254.69   7.1174   3.2207   22.830   10.784 -15.71271 11.25457 
1 1 1   -9   30   13 o   68.362   6.9039  4727.95  882.520  4673.78  1107.39  4822.23  1460.98   68.235   8.3605   68.490   10.989 -0.2551575 13.80770 
1 1 1   -9   30   14 o   70.748   0.9799  4895.37  132.894  4639.74  201.621  5091.74  176.714   69.097   1.5032   72.398   1.2574 -3.300957 1.959755 
1 1 1   -9   30   15 o   55.190   0.8413  2977.73   86.353  2892.08  143.483  3026.37  108.128   54.556   1.3548   55.823   0.9978 -1.266529 1.682644 
1 1 1   -9   30   16 o   94.115   1.0188  8584.50  176.906  8531.68  218.184  8685.86  302.242   93.713   1.1994   94.517   1.6473 -0.8043213 2.037694 
1 1 1   -9   30   17 o   46.389   0.7155  2091.75   64.368  1989.90   91.202  2192.85   90.860   45.262   1.0380   47.516   0.9851 -2.253922 1.431036 
1 1 1   -9   30   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   30   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   30   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   30   21 f   56.875   0.8553  3145.29   94.394  3033.26  133.153  3258.47  133.836   55.856   1.2281   57.895   1.1909 -2.039375 1.710649 
1 1 1   -9   30   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   30   23 o   66.851   0.9550  4347.94  123.821  4445.85  179.707  4259.44  170.848   67.564   1.3702   66.139   1.3307 1.425209 1.910051 
1 1 1   -9   30   24 o   10.257   2.2202  103.582   49.260   76.044   69.507  131.370   69.822   9.1891   3.1889   11.325   3.0901 -2.135775 4.440483 
1 1 1   -9   30   25 o   35.297   0.8835  1216.93   60.424  1257.53   83.868  1173.11   87.131   35.916   1.2029   34.678   1.2944 1.238441 1.767031 
1 1 1   -9   30   26 o   17.264   2.3082  295.152   77.351  295.152   77.351   0.0000   0.0000   17.264   2.3082  ?   ?       ?      ? 
1 1 1   -9   30   27 o   22.824   1.2996  517.612   56.936  427.649   80.097  609.501   80.950   20.774   1.9862   24.874   1.6765 -4.100216 2.599156 
1 1 1   -9   30   28 o   8.5265   2.2118   36.973   55.335 -45.9984   77.641  122.622   78.884   6.2264   2.8512   10.827   3.3823 -4.600185 4.423691 
1 1 1   -9   30   29 o   16.896   1.8873  298.922   59.524  245.331   84.522  351.656   83.843   15.153   2.9797   18.640   2.3172 -3.487126 3.774668 
1 1 1   -9   30   30 o   11.043   2.4660  133.955   59.536  149.535   81.604  116.225   87.052   11.614   3.4015   10.473   3.5715 1.140676 4.932086 
1 1 1   -9   30   31 o   9.2997   2.4363   73.724   63.491  139.178   88.398   3.9767   91.251   11.078   3.5947   7.5211   3.2895 3.557185 4.872651 
1 1 1   -9   31    1 o   89.794   0.9294  7852.03  154.423  7905.84  191.704  7752.58  260.602   90.239   1.0944   89.349   1.5025 0.8902054 1.858841 
1 1 1   -9   31    2 o   91.873   0.9465  8171.16  157.592  8127.13  190.977  8265.12  278.996   91.494   1.0753   92.253   1.5579 -0.7594681 1.892993 
1 1 1   -9   31    3 f   73.702   0.8262  5230.34  108.743  5164.18  129.942  5384.96  198.649   72.936   0.9178   74.469   1.3742 -1.533386 1.652495 
1 1 1   -9   31    4 o  100.360   0.9739  9764.63  178.482  9733.97  217.954  9827.05  310.981  100.129   1.1213  100.591   1.5926 -0.4618149 1.947772 
1 1 1   -9   31    5 o   66.574   0.7623  4314.25   80.880  4322.74   91.307  4283.35  174.289   66.732   0.7049   66.416   1.3519 0.3160629 1.524587 
1 1 1   -9   31    6 o   68.697   0.8462  4665.71  104.442  4811.62  126.850  4358.61  184.029   70.400   0.9282   66.994   1.4151 3.406609 1.692362 
1 1 1   -9   31    7 o   32.941   5.2146  1761.85  109.497  1790.12  110.196 -446.7043  973.911   42.934   1.3222   22.947   10.345 19.98729 10.42914 
1 1 1   -9   31    8 o   91.680   3.4462  8260.09  278.051  8264.26  286.022  8188.25  1186.03   92.233   1.5975   91.127   6.7048 1.106346 6.892470 
1 1 1   -9   31    9 o  145.857   2.8488 20534.94  569.516 20433.87  615.709 21133.67  1498.63  144.959   2.1881  146.756   5.2606 -1.796692 5.697508 
1 1 1   -9   31   10 o   81.499   3.7724  6167.27  225.968  6139.36  230.092  6924.79  1198.85   79.495   1.4911   83.503   7.3960 -4.007675 7.544849 
1 1 1   -9   31   11 o  145.704   2.2880 20653.68  647.133 20653.68  647.133   0.0000   0.0000  145.704   2.2880  ?   ?       ?      ? 
1 1 1   -9   31   12 o   22.336   6.7888  170.995   81.294  170.040   81.444  428.931  1338.62   12.951   3.2459   31.722   13.184 -18.77033 13.57756 
1 1 1   -9   31   13 o   58.721   7.5065  5170.38  205.057  5228.00  206.939  2046.52  1523.71   73.353   1.4533   44.089   14.943 29.26324 15.01309 
1 1 1   -9   31   14 o   87.130   1.1224  7361.51  189.277  7603.04  280.461  7159.49  256.497   88.436   1.6337   85.825   1.5396 2.610695 2.244863 
1 1 1   -9   31   15 o   51.072   0.6348  2538.82   62.330  2577.20   82.938  2489.02   94.480   51.519   0.8293   50.626   0.9614 0.8927727 1.269677 
1 1 1   -9   31   16 o   46.736   0.6228  2124.37   55.870  2143.43   73.874  2098.91   85.397   46.983   0.8100   46.489   0.9463 0.4942932 1.245629 
1 1 1   -9   31   17 o   86.941   1.0898  7345.63  183.860  7479.58  264.388  7220.20  255.857   87.707   1.5529   86.175   1.5295 1.531853 2.179658 
1 1 1   -9   31   18 o  103.716   1.2903 10438.19  259.311 11010.08  381.040  9944.85  353.903  106.351   1.8457  101.082   1.8036 5.268944 2.580642 
1 1 1   -9   31   19 o   66.476   0.8973  4296.10  115.746  4269.30  165.640  4321.68  161.808   66.272   1.2876   66.680   1.2501 -0.4081802 1.794586 
1 1 1   -9   31   20 o   48.565   0.8137  2296.45   76.581  2203.31  110.085  2383.78  106.603   47.607   1.1912   49.524   1.1089 -1.916691 1.627470 
1 1 1   -9   31   21 o   14.031   1.9566  219.733   50.612  108.504   79.105  296.821   65.855   10.614   3.3960   17.448   1.9444 -6.833432 3.913279 
1 1 1   -9   31   22 o   83.326   1.1057  6733.33  178.327  7151.62  264.759  6386.00  241.262   85.679   1.5919   80.973   1.5349 4.705399 2.211348 
1 1 1   -9   31   23 f   51.455   0.8614  2581.05   85.924  2461.84  122.661  2695.90  120.401   50.282   1.2567   52.628   1.1785 -2.346226 1.722857 
1 1 1   -9   31   24 o   52.818   0.7932  2710.26   80.363  2677.27  105.533  2755.79  123.984   52.449   1.0365   53.187   1.2009 -0.7386360 1.586342 
1 1 1   -9   31   25 o   11.052   2.1249  122.278   49.880   61.786   69.502  186.529   71.628   8.6528   3.1680   13.451   2.8328 -4.797888 4.249825 
1 1 1   -9   31   26 o   45.961   0.8173  2052.73   72.646  1959.17   97.814  2167.81  108.487   44.806   1.1246   47.117   1.1861 -2.311020 1.634524 
1 1 1   -9   31   27 o   42.184   0.8616  1740.48   70.484  1708.32   97.212  1776.12  102.344   41.779   1.1987   42.588   1.2380 -0.8091660 1.723188 
1 1 1   -9   31   28 o   27.409   1.5468  679.973   72.627  914.417  149.670  607.767   83.062   30.040   2.5667   24.778   1.7269 5.261930 3.093559 
1 1 1   -9   31   29 o   16.308   2.0083  284.646   60.165  391.374   86.463  184.459   83.772   19.659   2.2657   12.957   3.3166 6.701592 4.016584 
1 1 1   -9   31   30 o   22.230   1.4828  503.753   63.580  553.998   88.675  450.593   91.210   23.442   1.9487   21.018   2.2356 2.424053 2.965681 
1 1 1   -9   32    1 o  131.247   1.1587 16710.98  281.741 16663.27  349.416 16799.64  476.332  130.994   1.3741  131.501   1.8660 -0.5066528 2.317379 
1 1 1   -9   32    2 o  161.239   1.2762 25257.14  382.469 25260.90  476.576 25250.33  641.073  161.277   1.5223  161.202   2.0487 0.7458496E-01 2.552333 
1 1 1   -9   32    3 o  110.098   1.0374 11907.00  210.585 12220.43  261.751 11331.88  354.568  112.186   1.2019  108.010   1.6911 4.176498 2.074731 
1 1 1   -9   32    4 o  112.307   1.0089 12300.87  194.180 12360.11  226.802 12138.21  375.810  112.831   1.0355  111.782   1.7319 1.048241 2.017883 
1 1 1   -9   32    5 o   60.209   0.6918  3523.07   67.523  3525.98   76.716  3513.06  142.253   60.269   0.6557   60.149   1.2183 0.1201553 1.383600 
1 1 1   -9   32    6 o  100.709   1.0018  9786.35  169.704  9722.73  195.707  9979.20  340.721  100.070   1.0075  101.347   1.7319 -1.277618 2.003616 
1 1 1   -9   32    7 o  124.770   2.8912 15820.93  473.842 16055.39  510.689 14369.78  1270.51  128.516   2.0471  121.025   5.4080 7.491135 5.782481 
1 1 1   -9   32    8 o   60.914   4.7850  4759.51  187.496  4851.46  191.649  2706.73  905.519   70.672   1.3970   51.156   9.4675 19.51633 9.570020 
1 1 1   -9   32    9 o   99.967   3.2211 10554.16  350.304 10729.47  368.154  8876.73  1138.80  105.068   1.8051   94.866   6.1841 10.20248 6.442130 
1 1 1   -9   32   10 o   70.238   4.0335  5484.17  212.268  5544.49  217.223  4206.98  999.527   75.544   1.4813   64.932   7.9299 10.61168 8.067060 
1 1 1   -9   32   11 f   61.232   5.0842  3494.00  154.840  3485.99  156.094  3986.71  1224.06   59.904   1.3423   62.561   10.079 -2.656918 10.16837 
1 1 1   -9   32   12 o  106.646   4.3435 10080.97  340.806  9992.58  346.754 12590.77  1847.80  101.388   1.7619  111.903   8.5064 -10.51495 8.686972 
1 1 1   -9   32   13 o   32.881   7.2609  690.334   97.328  686.674   97.552  1484.89  1437.33   26.571   1.8913   39.191   14.398 -12.61987 14.52171 
1 1 1   -9   32   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   32   15 o   79.734   0.8858  6199.55  132.324  6265.05  167.057  6089.27  216.780   80.312   1.0716   79.156   1.4108 1.156326 1.771621 
1 1 1   -9   32   16 o   63.881   0.7385  3957.12   88.834  3936.55  112.540  3991.14  144.695   63.667   0.9106   64.095   1.1630 -0.4280624 1.477050 
1 1 1   -9   32   17 o   23.323   0.8508  535.866   37.991  462.535   55.851  599.017   51.829   21.815   1.3189   24.832   1.0752 -3.016474 1.701646 
1 1 1   -9   32   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   32   19 o   51.116   0.7824  2537.82   77.503  2561.86  113.227  2516.64  106.310   51.342   1.1361   50.890   1.0762 0.4517212 1.564864 
1 1 1   -9   32   20 o   21.419   1.2203  439.227   50.085  552.869   75.991  351.946   66.597   23.831   1.6427   19.008   1.8049 4.823090 2.440526 
1 1 1   -9   32   21 o   27.430   1.0716  739.014   56.507  670.235   83.398  797.385   76.830   26.233   1.6378   28.627   1.3826 -2.394524 2.143290 
1 1 1   -9   32   22 o   49.960   0.8845  2434.50   85.527  2343.31  124.411  2516.21  117.770   49.065   1.3062   50.855   1.1930 -1.790009 1.769025 
1 1 1   -9   32   23 o   28.021   1.0686  758.975   57.786  829.150   87.708  705.151   76.814   29.152   1.5499   26.890   1.4716 2.261105 2.137247 
1 1 1   -9   32   24 o   27.906   0.9335  758.512   50.490  700.133   70.107  821.419   72.775   26.789   1.3481   29.023   1.2917 -2.233847 1.867082 
1 1 1   -9   32   25 o   7.0644   2.0666   4.3784   49.128 -46.4817   72.212   48.204   67.033   6.0174   2.7534   8.1113   3.0826 -2.093876 4.133181 
1 1 1   -9   32   26 o   17.475   1.6281  306.287   54.331  242.480   76.253  372.082   77.432   15.568   2.5233   19.382   2.0581 -3.813923 3.256133 
1 1 1   -9   32   27 o   10.501   2.3670  114.068   54.612  101.163   78.972  125.897   75.604   10.070   3.4019   10.932   3.2921 -0.8612680 4.734013 
1 1 1   -9   32   28 o   48.897   0.8775  2357.93   82.697  2462.83  112.107  2232.71  122.481   50.133   1.1520   47.661   1.3239 2.472176 1.754909 
1 1 1   -9   32   29 o   10.935   2.4389  125.951   60.166  175.699   86.004   78.268   84.199   12.588   3.4274   9.2824   3.4706 3.305528 4.877729 
1 1 1   -9   32   30 o   15.515   2.1998  265.324   63.931  246.425   90.568  284.093   90.256   14.883   3.2278   16.147   2.9896 -1.264433 4.399598 
1 1 1   -9   33    1 o   69.240   0.8187  4598.70  101.630  4510.73  121.641  4802.06  184.950   68.163   0.9193   70.318   1.3549 -2.155396 1.637388 
1 1 1   -9   33    2 o  132.921   1.1790 17046.01  286.258 16820.63  348.803 17510.97  500.993  131.605   1.3653  134.238   1.9226 -2.633438 2.358091 
1 1 1   -9   33    3 o   83.440   0.8890  6694.17  133.505  6585.84  160.408  6938.35  240.828   82.360   1.0033   84.519   1.4679 -2.159363 1.778008 
1 1 1   -9   33    4 f   67.324   0.7608  4447.96   83.016  4487.16   94.504  4315.48  173.727   67.988   0.7161   66.659   1.3426 1.328163 1.521607 
1 1 1   -9   33    5 f   83.513   0.8477  6817.06  117.912  6859.44  135.754  6686.85  237.936   84.057   0.8320   82.970   1.4773 1.086861 1.695485 
1 1 1   -9   33    6 o  175.404   1.3089 30080.10  410.800 30367.41  494.417 29439.54  738.244  176.811   1.4405  173.997   2.1857 2.814056 2.617711 
1 1 1   -9   33    7 o   84.119   3.2426  7267.64  149.922  7282.94  151.576  6577.67  1017.66   86.609   0.9016   81.630   6.4223 4.979248 6.485246 
1 1 1   -9   33    8 o   70.531   3.5877  4905.44  190.012  4907.54  193.880  4854.32  955.921   71.077   1.4052   69.985   7.0364 1.091980 7.175324 
1 1 1   -9   33    9 o   98.647   3.2128  9806.45  327.150  9858.14  341.005  9208.85  1159.45  100.713   1.7443   96.581   6.1844 4.131203 6.425635 
1 1 1   -9   33   10 o   68.589   4.0918  5004.69  189.943  5031.47  193.318  4257.76  1021.01   71.966   1.3838   65.211   8.0658 6.755188 8.183617 
1 1 1   -9   33   11 f  102.643   3.9549 11088.85  366.786 11188.91  378.862  9593.97  1464.42  107.281   1.8193   98.004   7.6977 9.277161 7.909712 
1 1 1   -9   33   12 o   32.808   7.3799  589.074   95.378  584.308   95.580  1712.96  1467.70   24.508   2.0091   41.108   14.622 -16.60018 14.75975 
1 1 1   -9   33   13 o   33.739   1.5746  1106.54  103.127  1106.54  103.127   0.0000   0.0000   33.739   1.5746  ?   ?       ?      ? 
1 1 1   -9   33   14 o   98.100   1.0791  9443.89  196.389  9669.92  245.682  9043.82  326.853   99.764   1.2686   96.436   1.7460 3.327736 2.158242 
1 1 1   -9   33   15 o  160.695   1.9878 25170.10  619.648 26002.75  896.460 24408.30  857.470  163.232   2.8292  158.159   2.7929 5.072723 3.975515 
1 1 1   -9   33   16 o   15.808   0.9771  245.616   29.537  224.450   44.670  262.060   39.373   15.194   1.5145   16.422   1.2351 -1.228452 1.954297 
1 1 1   -9   33   17 o   67.154   0.7752  4343.27   96.981  4248.81  120.552  4516.54  163.270   66.138   0.9390   68.171   1.2338 -2.032974 1.550464 
1 1 1   -9   33   18 o   49.582   0.7532  2385.83   72.167  2416.83  107.576  2360.48   97.314   49.872   1.1112   49.292   1.0170 0.5802956 1.506357 
1 1 1   -9   33   19 o   38.429   0.7922  1422.30   58.479  1522.81   90.605  1350.53   76.561   39.579   1.1793   37.279   1.0580 2.300293 1.584319 
1 1 1   -9   33   20 o   97.726   1.2372  9301.92  234.637  9354.81  335.941  9251.54  327.859   97.993   1.7660   97.458   1.7330 0.5357208 2.474327 
1 1 1   -9   33   21 o   40.992   0.8588  1614.61   67.712  1776.79  104.647  1497.80   88.810   42.738   1.2614   39.246   1.1657 3.492180 1.717569 
1 1 1   -9   33   22 o   33.016   0.9932  1047.74   63.220  1201.82   96.249  930.833   83.842   35.121   1.4118   30.910   1.3973 4.210930 1.986360 
1 1 1   -9   33   23 o   21.538   1.4162  458.190   57.694  437.655   91.471  471.757   74.348   21.110   2.2322   21.967   1.7435 -0.8574104 2.832440 
1 1 1   -9   33   24 o   20.114   1.4784  412.715   55.393  329.937   85.754  471.983   72.562   18.274   2.4174   21.955   1.7026 -3.680141 2.956810 
1 1 1   -9   33   25 o   13.688   2.0427  176.453   54.207  306.093   87.489   95.676   69.060   17.537   2.5700   9.8381   3.1758 7.699237 4.085371 
1 1 1   -9   33   26 o   39.757   0.8211  1549.45   63.177  1625.95   87.492  1466.10   91.324   40.798   1.1047   38.715   1.2152 2.083252 1.642287 
1 1 1   -9   33   27 o   8.2478   2.1461   18.570   53.050  124.854   80.019 -64.7805   70.862   10.918   3.4058   5.5779   2.6121 5.339659 4.292155 
1 1 1   -9   33   28 o   26.979   1.1652  721.648   61.001  710.147   86.994  732.773   85.562   26.758   1.6748   27.199   1.6205 -0.4415245 2.330481 
1 1 1   -9   33   29 o   8.0642   2.3399   36.109   58.586   29.827   86.143   41.515   79.913   8.0202   3.3398   8.1081   3.2782 -0.8784103E-01 4.679805 
1 1 1   -9   33   30 o   13.653   2.6183  213.578   70.566  249.100  109.076  188.010   92.542   14.553   3.8147   12.754   3.5874 1.799086 5.236528 
1 1 1   -9   34    1 o   57.594   0.7776  3216.47   79.217  3210.05   94.236  3231.93  146.262   57.501   0.8443   57.686   1.3062 -0.1845360 1.555258 
1 1 1   -9   34    2 o   38.019   0.8102  1399.10   52.492  1394.18   60.992  1413.16  103.081   37.895   0.8291   38.143   1.3922 -0.2479134 1.620386 
1 1 1   -9   34    3 o   87.589   0.9097  7508.68  146.268  7632.44  180.469  7271.73  249.709   88.659   1.0486   86.519   1.4868 2.139160 1.819398 
1 1 1   -9   34    4 o   87.116   0.8491  7450.19  125.956  7538.99  146.865  7203.23  244.923   88.120   0.8586   86.111   1.4652 2.008858 1.698247 
1 1 1   -9   34    5 o   55.576   0.7154  3017.90   61.290  3030.16   68.431  2968.22  137.805   55.870   0.6310   55.282   1.2842 0.5881538 1.430794 
1 1 1   -9   34    6 o  114.523   1.0511 12799.51  209.525 12873.10  247.064 12611.04  395.401  115.136   1.1054  113.910   1.7882 1.225609 2.102268 
1 1 1   -9   34    7 o   59.090   4.9764  4446.54  119.367  4476.67  120.356  2636.62  932.907   67.902   0.9131   50.278   9.9109 17.62363 9.952895 
1 1 1   -9   34    8 o   62.520   4.3997  4509.62  177.977  4556.39  181.155  3211.40  954.349   68.487   1.3626   56.554   8.6932 11.93329 8.799348 
1 1 1   -9   34    9 o   52.106   5.1782  3078.29  143.618  3094.89  145.384  2407.50  924.080   56.444   1.3269   47.767   10.271 8.677139 10.35650 
1 1 1   -9   34   10 o   47.248   5.7455  2630.99  124.857  2643.31  125.925  1913.89  960.446   52.166   1.2435   42.330   11.424 9.836498 11.49109 
1 1 1   -9   34   11 o   77.963   4.2736  6630.92  241.646  6684.92  246.776  5372.47  1191.37   82.937   1.5328   72.989   8.4086 9.947685 8.547145 
1 1 1   -9   34   12 o   46.491   1.1795  2099.66  106.445  2099.66  106.445   0.0000   0.0000   46.491   1.1795  ?   ?       ?      ? 
1 1 1   -9   34   13 o   43.632   1.2728  1849.67  107.802  1849.67  107.802   0.0000   0.0000   43.632   1.2728  ?   ?       ?      ? 
1 1 1   -9   34   14 o   33.842   0.5217  1111.77   34.265  1102.48   47.869  1121.53   49.070   33.697   0.7318   33.987   0.7438 -0.2896957 1.043424 
1 1 1   -9   34   15 o   69.537   0.7938  4738.08  104.638  4899.45  135.490  4499.60  164.714   71.024   0.9827   68.049   1.2469 2.974342 1.587638 
1 1 1   -9   34   16 o   94.945   1.1835  8750.67  217.863  9135.58  317.947  8409.99  299.122   96.907   1.6902   92.983   1.6572 3.923897 2.367097 
1 1 1   -9   34   17 o   27.106   1.2611  745.390   48.944  670.938  118.099  760.830   53.780   26.226   2.3198   27.985   0.9900 -1.759113 2.522213 
1 1 1   -9   34   18 o   53.540   0.7786  2773.97   80.580  2907.55  120.682  2666.50  108.244   54.696   1.1366   52.384   1.0645 2.312080 1.557252 
1 1 1   -9   34   19 o  103.030   1.2886 10313.93  257.297 10811.04  377.303  9881.80  351.781  105.340   1.8451  100.721   1.7992 4.619499 2.577178 
1 1 1   -9   34   20 o   25.763   1.0658  644.750   52.131  652.456   83.085  639.747   66.950   25.882   1.6537   25.644   1.3449 0.2382298 2.131554 
1 1 1   -9   34   21 o   26.633   1.0837  685.367   55.229  723.790   86.658  659.085   71.670   27.249   1.6383   26.017   1.4191 1.232567 2.167457 
1 1 1   -9   34   22 o   65.112   0.9469  4131.92  119.605  3955.29  168.937  4309.43  169.358   63.711   1.3660   66.512   1.3117 -2.801231 1.893799 
1 1 1   -9   34   23 o   28.460   1.1417  806.791   61.144  722.305   96.308  863.838   79.139   27.160   1.8267   29.759   1.3699 -2.599150 2.283331 
1 1 1   -9   34   24 o   55.108   0.8936  2961.46   95.120  2978.88  141.900  2947.24  128.183   55.241   1.3233   54.975   1.2012 0.2664604 1.787135 
1 1 1   -9   34   25 o   27.254   1.0237  727.990   54.079  719.648   78.372  735.572   74.717   27.097   1.4899   27.410   1.4042 -0.3130054 2.047382 
1 1 1   -9   34   26 o   9.0080   2.2678   69.032   51.835  108.705   74.461   31.730   72.203   10.300   3.2948   7.7156   3.1172 2.584846 4.535686 
1 1 1   -9   34   27 o   34.408   0.9309  1162.50   62.022  1158.83   90.848  1165.71   84.880   34.343   1.3627   34.473   1.2684 -0.1298294 1.861714 
1 1 1   -9   34   28 o   9.5636   2.3413   79.403   55.132  143.151   84.902   32.923   72.496   11.462   3.4970   7.6655   3.1142 3.796266 4.682635 
1 1 1   -9   34   29 o   19.479   1.5820  386.502   59.789  391.309   86.136  382.032   83.058   19.584   2.2658   19.374   2.2085 0.2099686 3.164045 
1 1 1   -9   34   30 o   10.299   2.6863  107.448   70.191  140.874  109.576   84.188   91.406   11.193   3.9939   9.4061   3.5936 1.786761 5.372629 
1 1 1   -9   35    1 o   18.481   1.4030  352.147   41.629  369.835   47.764  296.255   84.904   19.514   1.2609   17.448   2.5068 2.065973 2.806099 
1 1 1   -9   35    2 o   31.442   0.9157  945.234   47.370  932.367   53.969  988.402   98.854   30.989   0.8972   31.894   1.5967 -0.9058762 1.831466 
1 1 1   -9   35    3 o   66.329   0.8118  4233.35   96.116  4174.25  114.779  4372.07  175.848   65.569   0.9018   67.090   1.3502 -1.521294 1.623691 
1 1 1   -9   35    4 o   71.470   0.7920  4881.92   90.528  4823.37  101.986  5099.44  196.577   70.487   0.7454   72.454   1.3977 -1.967514 1.584000 
1 1 1   -9   35    5 o  119.323   1.0559 14036.66  218.861 14299.98  258.636 13372.56  410.740  121.349   1.0980  117.296   1.8039 4.052849 2.111788 
1 1 1   -9   35    6 o   23.152   0.8181  457.269   23.825  439.673   25.174  608.344   73.762   21.282   0.6094   25.023   1.5186 -3.740713 1.636266 
1 1 1   -9   35    7 o   94.570   0.9770  8684.38  179.348  8684.38  179.348   0.0000   0.0000   94.570   0.9770  ?   ?       ?      ? 
1 1 1   -9   35    8 o   61.999   3.9751  3690.32   82.864  3688.82   83.176  3889.98  958.636   61.642   0.6951   62.356   7.9198 -0.7138786 7.950233 
1 1 1   -9   35    9 o   90.984   3.3782  8172.48  282.407  8179.10  291.357  8069.64  1148.18   91.738   1.6361   90.230   6.5553 1.507767 6.756399 
1 1 1   -9   35   10 o  133.252   3.1124 17800.53  531.598 17932.90  569.519 16904.69  1481.62  135.753   2.1612  130.751   5.8375 5.002289 6.224724 
1 1 1   -9   35   11 o   44.413   1.4275  1916.87  123.067  1916.87  123.067   0.0000   0.0000   44.413   1.4275  ?   ?       ?      ? 
1 1 1   -9   35   12 o   27.490   1.8788  735.071  100.256  735.071  100.256   0.0000   0.0000   27.490   1.8788  ?   ?       ?      ? 
1 1 1   -9   35   13 o   86.969   1.1922  7348.04  201.266  7348.04  201.266   0.0000   0.0000   86.969   1.1922  ?   ?       ?      ? 
1 1 1   -9   35   14 o   59.723   0.8798  3463.80  101.998  3463.80  101.998   0.0000   0.0000   59.723   0.8798  ?   ?       ?      ? 
1 1 1   -9   35   15 o   27.683   0.8739  735.244   39.001  761.620   83.567  727.900   44.098   27.987   1.5382   27.378   0.8298 0.6089096 1.747733 
1 1 1   -9   35   16 o   51.694   0.6626  2597.40   65.776  2607.05   86.970  2584.49  100.542   51.810   0.8648   51.579   1.0042 0.2306824 1.325208 
1 1 1   -9   35   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   35   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   35   19 o   98.392   1.2364  9428.92  236.133  9270.30  331.943  9591.41  335.978   97.553   1.7529   99.230   1.7442 -1.676949 2.472848 
1 1 1   -9   35   20 o   20.541   1.3414  441.012   49.694  306.821   78.333  531.393   64.287   17.716   2.2778   23.366   1.4173 -5.649948 2.682717 
1 1 1   -9   35   21 o   16.058   1.7075  266.298   49.461  216.927   77.807  299.778   64.074   14.598   2.8479   17.517   1.8844 -2.918261 3.414909 
1 1 1   -9   35   22 o   50.167   0.8670  2435.54   84.010  2602.83  126.639  2304.06  112.271   51.690   1.2621   48.643   1.1890 3.047092 1.733949 
1 1 1   -9   35   23 o   38.832   0.8696  1453.28   64.943  1590.37  100.388  1354.62   85.165   40.382   1.2806   37.283   1.1768 3.099155 1.739203 
1 1 1   -9   35   24 o   37.891   0.9740  1405.05   69.303  1394.55  113.154  1411.36   87.670   37.744   1.5444   38.037   1.1874 -0.2927017 1.948045 
1 1 1   -9   35   25 o   26.807   1.0856  714.720   55.463  563.393   78.787  863.387   78.091   23.923   1.6966   29.691   1.3549 -5.767664 2.171210 
1 1 1   -9   35   26 o   29.946   0.9978  883.768   57.806  839.377   83.887  923.910   79.770   29.209   1.4795   30.682   1.3393 -1.472797 1.995657 
1 1 1   -9   35   27 f   22.870   1.2968  524.977   56.905  476.728   84.548  564.934   76.941   21.850   1.9933   23.889   1.6592 -2.038511 2.593523 
1 1 1   -9   35   28 f   24.157   1.2628  582.746   58.840  579.145   88.119  585.643   79.042   24.051   1.8874   24.264   1.6782 -0.2123070 2.525594 
1 1 1   -9   35   29 o   20.212   1.5772  418.952   61.625  382.335   87.953  454.264   86.371   19.285   2.3494   21.138   2.1049 -1.852705 3.154428 
1 1 1   -9   36    1 o   44.481   0.8116  1948.55   60.583  1976.11   70.153  1867.68  120.156   45.116   0.8010   43.847   1.4117 1.268410 1.623121 
1 1 1   -9   36    2 o   85.746   0.9119  7209.14  142.413  7342.19  174.442  6943.24  246.605   86.955   1.0335   84.537   1.5028 2.417778 1.823823 
1 1 1   -9   36    3 o   65.010   0.7924  4072.78   92.328  4023.23  110.655  4186.33  167.506   64.371   0.8855   65.649   1.3144 -1.277977 1.584894 
1 1 1   -9   36    4 o   32.565   0.8230  1054.19   36.231  1064.03   39.191  996.327   95.031   33.107   0.6098   32.022   1.5288 1.084995 1.645936 
1 1 1   -9   36    5 o   63.294   0.7968  3917.95   88.041  3953.82  104.106  3827.86  164.974   63.814   0.8404   62.773   1.3539 1.041420 1.593509 
1 1 1   -9   36    6 o   55.647   2.2654  3377.37   74.303  3397.01   75.319  2664.45  453.750   59.154   0.6559   52.140   4.4832 7.014656 4.530892 
1 1 1   -9   36    7 f   36.970   5.0114  886.530   30.320  885.022   30.340  2019.25  831.562   30.195   0.5176   43.745   10.009 -13.54990 10.02285 
1 1 1   -9   36    8 o   33.802   5.5992  1403.55   38.386  1404.90   38.422  699.112  880.369   38.043   0.5203   29.560   11.186 8.482605 11.19837 
1 1 1   -9   36    9 o   67.909   4.3152  4997.37  193.583  5027.79  196.921  4123.05  1055.87   71.933   1.4103   63.884   8.5143 8.048592 8.630315 
1 1 1   -9   36   10 o   72.091   1.4665  5050.89  205.231  5050.89  205.231   0.0000   0.0000   72.091   1.4665  ?   ?       ?      ? 
1 1 1   -9   36   11 o  115.783   2.0676 13045.87  464.695 13045.87  464.695   0.0000   0.0000  115.783   2.0676  ?   ?       ?      ? 
1 1 1   -9   36   12 o   6.4071   3.0019 -95.7882   93.806 -95.7882   93.806   0.0000   0.0000   6.4071   3.0019  ?   ?       ?      ? 
1 1 1   -9   36   13 f   52.799   0.8221  2706.98   84.254  2706.98   84.254   0.0000   0.0000   52.799   0.8221  ?   ?       ?      ? 
1 1 1   -9   36   14 o   79.489   1.0481  6137.78  161.728  6137.78  161.728   0.0000   0.0000   79.489   1.0481  ?   ?       ?      ? 
1 1 1   -9   36   15 o   41.978   0.5916  1716.18   48.066  1800.68   66.579  1624.20   69.464   43.061   0.7965   40.894   0.8750 2.166779 1.183271 
1 1 1   -9   36   16 o   24.117   0.7142  567.124   33.284  538.967   48.719  591.768   45.578   23.552   1.0656   24.682   0.9513 -1.129370 1.428459 
1 1 1   -9   36   17 o   41.731   0.6418  1690.36   51.886  1670.86   70.995  1712.71   76.018   41.474   0.8818   41.988   0.9327 -0.5141411 1.283559 
1 1 1   -9   36   18 o   16.562   1.2615  263.554   40.194  294.237   62.122  241.460   52.715   17.378   1.8415   15.747   1.7246 1.631864 2.522943 
1 1 1   -9   36   19 o   16.358   1.5908  286.378   44.918  198.202   72.367  341.636   57.289   13.983   2.7640   18.732   1.5755 -4.748291 3.181512 
1 1 1   -9   36   20 o   30.744   0.9069  917.160   53.782  942.457   81.201  897.390   71.785   31.117   1.3443   30.371   1.2176 0.7453156 1.813757 
1 1 1   -9   36   21 o   26.419   1.0668  684.049   53.895  659.732   82.904  701.849   70.929   25.998   1.6427   26.839   1.3614 -0.8405476 2.133535 
1 1 1   -9   36   22 o   25.869   1.1056  649.717   55.038  681.951   84.377  625.844   72.614   26.416   1.6455   25.323   1.4772 1.093060 2.211298 
1 1 1   -9   36   23 o   38.482   0.9055  1448.90   66.393  1422.74  103.884  1466.96   86.323   38.167   1.4021   38.796   1.1462 -0.6284828 1.811030 
1 1 1   -9   36   24 o   26.366   1.2361  678.502   61.294  701.620  100.642  664.870   77.280   26.682   1.9431   26.049   1.5283 0.6328373 2.472104 
1 1 1   -9   36   25 o   8.5264   2.2473   59.406   49.560   66.005   74.744   54.228   66.206   8.8448   3.2773   8.2080   3.0759 0.6367979 4.494594 
1 1 1   -9   36   26 o   23.180   1.1958  524.171   53.461  606.671   80.890  460.187   71.237   24.782   1.6815   21.579   1.7006 3.202513 2.391556 
1 1 1   -9   36   27 o   19.973   1.5643  423.699   57.029  286.260   85.224  535.142   76.743   16.727   2.6247   23.218   1.7027 -6.491028 3.128606 
1 1 1   -9   36   28 o   11.057   2.4273  133.979   57.807  119.715   83.975  146.825   79.694   10.578   3.5071   11.535   3.3565 -0.9569902 4.854505 
1 1 1   -9   36   29 o   11.630   2.2638  149.103   65.355  -0.8915   98.901  265.376   87.077   7.7099   3.3968   15.549   2.9935 -7.839468 4.527620 
1 1 1   -9   37    1 o   49.399   0.7906  2400.11   67.754  2438.41   79.942  2302.46  127.658   50.115   0.8218   48.684   1.3508 1.430679 1.581142 
1 1 1   -9   37    2 o   53.848   0.8822  2819.25   91.885  2851.05  125.140  2782.03  135.349   54.180   1.1899   53.516   1.3029 0.6634865 1.764451 
1 1 1   -9   37    3 o   74.141   0.8143  5314.64   97.828  5295.19  111.004  5382.30  207.015   73.852   0.7743   74.430   1.4328 -0.5785370 1.628647 
1 1 1   -9   37    4 o   48.444   0.7673  2287.16   53.553  2291.16   58.632  2267.02  131.552   48.581   0.6217   48.306   1.4029 0.2754250 1.534511 
1 1 1   -9   37    5 o   94.348   0.9280  8821.00  148.941  9017.29  174.056  8284.22  287.832   96.367   0.9305   92.328   1.6060 4.038872 1.856048 
1 1 1   -9   37    6 o   58.807   2.2989  3744.42   82.018  3765.98   83.200  3001.85  488.266   62.283   0.6882   55.330   4.5460 6.953197 4.597810 
1 1 1   -9   37    7 o   12.753   2.7170  183.016   23.949  185.890   24.039 -199.1426  277.185   13.836   0.8950   11.670   5.3598 2.166322 5.434000 
1 1 1   -9   37    8 o  138.211   2.9658 19973.98  378.863 20158.26  391.900 17341.58  1481.22  144.032   1.4017  132.390   5.7637 11.64270 5.931697 
1 1 1   -9   37    9 o   27.923   0.4831  756.847   26.184  756.847   26.184   0.0000   0.0000   27.923   0.4831  ?   ?       ?      ? 
1 1 1   -9   37   10 o   41.869   1.3114  1703.24  106.584  1703.24  106.584   0.0000   0.0000   41.869   1.3114  ?   ?       ?      ? 
1 1 1   -9   37   11 f   37.258   1.3842  1348.97  100.111  1348.97  100.111   0.0000   0.0000   37.258   1.3842  ?   ?       ?      ? 
1 1 1   -9   37   12 o  116.660   2.0741 13248.29  469.697 13248.29  469.697   0.0000   0.0000  116.660   2.0741  ?   ?       ?      ? 
1 1 1   -9   37   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   37   14 o   44.765   0.5924  1943.34   51.162  1922.36   68.479  1969.84   76.971   44.493   0.7929   45.036   0.8804 -0.5434494 1.184831 
1 1 1   -9   37   15 o   31.437   0.5824  959.866   35.540  953.109   50.393  966.553   50.131   31.327   0.8287   31.547   0.8186 -0.2204113 1.164843 
1 1 1   -9   37   16 o   56.275   0.8812  3075.98   96.260  3075.98   96.260   0.0000   0.0000   56.275   0.8812  ?   ?       ?      ? 
1 1 1   -9   37   17 o   22.520   0.8202  491.080   35.786  532.102   52.457  455.370   48.943   23.397   1.1550   21.644   1.1649 1.752901 1.640446 
1 1 1   -9   37   18 o   71.931   1.0386  5067.46  142.903  4830.22  218.919  5243.60  188.637   70.437   1.6011   73.424   1.3235 -2.987877 2.077299 
1 1 1   -9   37   19 o   46.918   0.7777  2138.04   70.360  2158.23  105.996  2122.12   94.076   47.111   1.1590   46.724   1.0372 0.3870430 1.555383 
1 1 1   -9   37   20 o   48.708   0.8046  2309.76   75.844  2288.51  111.442  2328.09  103.516   48.495   1.1838   48.922   1.0900 -0.4272499 1.609219 
1 1 1   -9   37   21 o   13.519   2.0588  204.555   51.478  119.418   87.142  250.191   63.800   11.058   3.5671   15.979   2.0569 -4.920252 4.117689 
1 1 1   -9   37   22 o   17.096   1.6081  296.066   51.619  247.207   79.647  331.450   67.780   15.807   2.5956   18.385   1.8992 -2.577390 3.216277 
1 1 1   -9   37   23 o   31.557   1.0091  987.019   60.072  910.732   94.947  1037.94   77.572   30.497   1.6038   32.617   1.2252 -2.120163 2.018244 
1 1 1   -9   37   24 o   28.585   1.0999  802.642   60.449  797.888   91.888  806.269   80.263   28.487   1.6617   28.682   1.4416 -0.1947269 2.199833 
1 1 1   -9   37   25 o   12.479   2.2841  166.057   55.502  170.449   83.427  162.570   74.340   12.603   3.3518   12.354   3.1038 0.2494402 4.568193 
1 1 1   -9   37   26 o   23.990   1.2273  580.930   55.964  468.216   81.548  681.276   76.944   21.688   1.9370   26.291   1.5076 -4.602686 2.454544 
1 1 1   -9   37   27 o   9.8255   2.3696   98.745   55.088   71.339   84.261  119.202   72.800   9.1050   3.4571   10.546   3.2418 -1.441036 4.739275 
1 1 1   -9   37   28 o   19.512   1.5809  387.586   59.846  402.450   86.345  373.843   83.024   19.870   2.2385   19.153   2.2330 0.7169724 3.161874 
1 1 1   -9   37   29 o   31.852   1.2015  1004.78   73.722  1147.31  113.018  899.213   97.263   33.774   1.7238   29.930   1.6741 3.844105 2.402949 
1 1 1   -9   38    1 o  109.058   1.0818 11614.81  216.317 11735.09  266.148 11380.71  371.303  109.915   1.2474  108.201   1.7678 1.714455 2.163580 
1 1 1   -9   38    2 o   37.765   1.0064  1380.33   71.727  1363.41   91.047  1408.02  116.452   37.465   1.2519   38.064   1.5760 -0.5994148 2.012740 
1 1 1   -9   38    3 o   37.994   0.8373  1435.87   54.427  1475.92   63.905  1330.08  103.858   38.989   0.8444   36.999   1.4460 1.989204 1.674517 
1 1 1   -9   38    4 f   54.654   0.7534  2957.00   63.262  2993.78   70.710  2809.52  141.604   55.532   0.6560   53.777   1.3565 1.755428 1.506760 
1 1 1   -9   38    5 o   63.288   0.7896  3882.42   76.483  3877.59   85.087  3902.76  174.538   63.199   0.6936   63.377   1.4187 -0.1787262 1.579164 
1 1 1   -9   38    6 o   44.142   2.6137  1964.20   52.136  1965.91   52.512  1846.49  436.290   45.001   0.6011   43.283   5.1927 1.717766 5.227392 
1 1 1   -9   38    7 o  131.436   1.9941 18644.68  357.110 19490.74  390.995 14388.33  876.978  141.622   1.4222  121.249   3.7260 20.37361 3.988241 
1 1 1   -9   38    8 o  117.522   1.1981 13416.99  273.315 13416.99  273.315   0.0000   0.0000  117.522   1.1981  ?   ?       ?      ? 
1 1 1   -9   38    9 f   53.343   0.6341  2762.48   65.662  2762.48   65.662   0.0000   0.0000   53.343   0.6341  ?   ?       ?      ? 
1 1 1   -9   38   10 o   64.366   0.7415  4022.59   92.654  4022.59   92.654   0.0000   0.0000   64.366   0.7415  ?   ?       ?      ? 
1 1 1   -9   38   11 o   14.077   3.5833  201.456   98.169  201.456   98.169   0.0000   0.0000   14.077   3.5833  ?   ?       ?      ? 
1 1 1   -9   38   12 o   44.981   0.8135  1964.73   71.029  1964.73   71.029   0.0000   0.0000   44.981   0.8135  ?   ?       ?      ? 
1 1 1   -9   38   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   38   14 o   52.137   0.8193  2639.96   82.920  2639.96   82.920   0.0000   0.0000   52.137   0.8193  ?   ?       ?      ? 
1 1 1   -9   38   15 o   62.942   0.9227  3822.38  109.523  3971.16  178.890  3733.18  138.518   63.903   1.4421   61.981   1.1513 1.922829 1.845305 
1 1 1   -9   38   16 o   82.325   0.9181  6649.66  141.714  6829.69  179.938  6355.57  229.973   83.827   1.1058   80.824   1.4658 3.003822 1.836114 
1 1 1   -9   38   17 o   58.043   0.7206  3278.02   79.960  3298.49  104.552  3249.18  124.108   58.268   0.9244   57.819   1.1058 0.4491768 1.441239 
1 1 1   -9   38   18 o   42.851   0.6690  1786.06   55.471  1807.49   75.738  1761.25   81.469   43.131   0.9046   42.572   0.9858 0.5594978 1.337984 
1 1 1   -9   38   19 o   22.824   0.9715  508.966   42.888  475.333   61.904  540.012   59.474   22.093   1.4434   23.555   1.3007 -1.462603 1.943014 
1 1 1   -9   38   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   38   21 o   54.918   0.8731  2940.75   92.304  2921.63  139.615  2955.59  123.029   54.745   1.3138   55.091   1.1504 -0.3452568 1.746284 
1 1 1   -9   38   22 o   22.042   1.2142  478.498   50.624  463.953   80.590  487.978   65.062   21.740   1.9097   22.344   1.5001 -0.6041985 2.428412 
1 1 1   -9   38   23 f   20.681   1.4267  437.651   54.260  364.462   87.887  482.730   68.976   19.171   2.3617   22.191   1.6012 -3.020247 2.853350 
1 1 1   -9   38   24 o   19.143   1.5723  355.140   55.782  397.562   96.318  333.729   68.426   19.919   2.4910   18.367   1.9191 1.551741 3.144530 
1 1 1   -9   38   25 o   6.7814   2.0974 -17.4222   54.133 -58.6878   78.045   20.837   75.148   6.0367   2.7980   7.5260   3.1255 -1.489307 4.194898 
1 1 1   -9   38   26 o   13.101   2.1576  181.570   53.744  217.670   81.306  153.557   71.623   14.261   3.0306   11.942   3.0720 2.318074 4.315256 
1 1 1   -9   38   27 o   13.028   2.2300  183.568   56.134  227.570   83.060  146.574   76.158   14.494   3.0488   11.562   3.2551 2.931635 4.459923 
1 1 1   -9   38   28 o   8.4152   2.3158   36.020   63.104 -77.4441   98.837  114.100   81.990   6.5469   3.0719   10.283   3.4663 -3.736520 4.631599 
1 1 1   -9   39    1 o   83.386   0.9307  6735.21  138.934  6703.23  166.668  6808.07  251.519   83.079   1.0335   83.694   1.5481 -0.6151123 1.861398 
1 1 1   -9   39    2 o   59.419   0.7921  3466.65   84.248  3528.17  101.646  3331.62  150.585   60.279   0.8687   58.559   1.3247 1.719952 1.584140 
1 1 1   -9   39    3 o   43.523   0.7941  1816.09   48.963  1805.25   53.289  1874.81  124.060   43.122   0.6366   43.923   1.4550 -0.8010406 1.588200 
1 1 1   -9   39    4 o   75.780   0.8368  5585.21  102.909  5590.80  116.983  5566.06  216.401   75.882   0.7942   75.679   1.4731 0.2028275 1.673503 
1 1 1   -9   39    5 o   93.501   0.9447  8599.40  148.172  8705.70  171.463  8285.91  294.456   94.683   0.9329   92.320   1.6431 2.362152 1.889445 
1 1 1   -9   39    6 o   92.752   2.4361 10237.09  206.383 10542.14  214.656  6506.90  750.634  104.183   1.0614   81.320   4.7552 22.86319 4.872184 
1 1 1   -9   39    7 o  136.029   2.5497 20817.33  406.490 21648.69  433.900 14853.93  1162.10  149.244   1.4977  122.813   4.8745 26.43157 5.099440 
1 1 1   -9   39    8 o   56.352   0.6510  3082.94   71.211  3082.94   71.211   0.0000   0.0000   56.352   0.6510  ?   ?       ?      ? 
1 1 1   -9   39    9 o   97.170   1.0084  9170.40  190.201  9170.40  190.201   0.0000   0.0000   97.170   1.0084  ?   ?       ?      ? 
1 1 1   -9   39   10 o   57.704   0.6727  3232.81   75.357  3232.81   75.357   0.0000   0.0000   57.704   0.6727  ?   ?       ?      ? 
1 1 1   -9   39   11 o   40.584   0.7489  1599.25   58.996  1599.25   58.996   0.0000   0.0000   40.584   0.7489  ?   ?       ?      ? 
1 1 1   -9   39   12 o  103.942   1.3530 10501.28  272.986 10501.28  272.986   0.0000   0.0000  103.942   1.3530  ?   ?       ?      ? 
1 1 1   -9   39   13 o   44.929   0.7744  1960.31   67.540  1960.31   67.540   0.0000   0.0000   44.929   0.7744  ?   ?       ?      ? 
1 1 1   -9   39   14 o   57.161   0.8756  3173.55   97.162  3173.55   97.162   0.0000   0.0000   57.161   0.8756  ?   ?       ?      ? 
1 1 1   -9   39   15 o   51.333   0.8632  2559.62   86.018  2559.62   86.018   0.0000   0.0000   51.333   0.8632  ?   ?       ?      ? 
1 1 1   -9   39   16 o   23.489   0.7449  537.349   33.841  520.966   49.594  551.624   46.293   23.152   1.1035   23.827   1.0009 -0.6743698 1.489792 
1 1 1   -9   39   17 f   17.517   1.0602  299.063   35.431  296.446   55.367  300.877   46.107   17.448   1.6347   17.587   1.3506 -0.1391315 2.120478 
1 1 1   -9   39   18 o   53.335   0.7126  2778.42   73.120  2876.88   98.119  2655.44  109.656   54.409   0.9290   52.262   1.0809 2.147469 1.425260 
1 1 1   -9   39   19 o   21.743   0.9887  460.586   41.726  456.267   59.184  464.854   58.835   21.641   1.4089   21.845   1.3875 -0.2039280 1.977366 
1 1 1   -9   39   20 o   14.436   1.8495  237.993   45.930  134.768   77.046  294.901   57.207   11.498   3.2871   17.374   1.6962 -5.875834 3.698945 
1 1 1   -9   39   21 o   13.517   1.9471  175.923   47.097  226.834   83.046  151.786   57.181   14.850   2.9843   12.183   2.5016 2.667480 3.894159 
1 1 1   -9   39   22 o   31.076   0.9853  940.248   57.149  955.464   95.234  931.686   71.441   31.244   1.5702   30.908   1.1907 0.3364487 1.970630 
1 1 1   -9   39   23 f   14.856   1.9215  238.110   50.598  185.661   84.397  267.539   63.219   13.256   3.2943   16.456   1.9790 -3.200808 3.843010 
1 1 1   -9   39   24 o   32.821   1.0533  1060.92   64.963  1051.74  105.783  1066.48   82.315   32.653   1.6689   32.989   1.2854 -0.3359528 2.106528 
1 1 1   -9   39   25 o   11.374   2.3592  137.536   55.128  139.345   84.127  136.174   72.980   11.445   3.4786   11.304   3.1879 0.1405926 4.718448 
1 1 1   -9   39   26 o   13.703   2.1634  201.575   56.416  250.938   82.317  157.851   77.473   15.371   2.8642   12.035   3.2430 3.336017 4.326750 
1 1 1   -9   39   27 o   10.890   2.1884  126.190   56.445   23.698   83.724  211.590   76.424   7.7849   3.2708   13.995   2.9082 -6.209729 4.376712 
1 1 1   -9   39   28 o   9.5388   2.4941   90.837   62.442   52.219  100.031  115.491   79.925   8.8182   3.6288   10.259   3.4225 -1.441326 4.988119 
1 1 1   -9   40    1 o   40.619   0.8391  1603.94   57.836  1605.16   67.121  1600.40  113.968   40.658   0.8504   40.581   1.4468 0.7732010E-01 1.678209 
1 1 1   -9   40    2 o   84.121   0.9440  6857.95  143.333  6827.69  173.127  6923.90  255.556   83.843   1.0637   84.399   1.5599 -0.5552216 1.888031 
1 1 1   -9   40    3 o   40.305   0.7736  1598.60   46.428  1610.41   51.344  1545.68  108.724   40.728   0.6494   39.882   1.4044 0.8457336 1.547253 
1 1 1   -9   40    4 o   74.313   0.8267  5346.66   99.460  5332.23  112.842  5396.94  210.560   74.106   0.7844   74.520   1.4556 -0.4139481 1.653496 
1 1 1   -9   40    5 o   26.658   3.9864  883.529   39.711  886.833   39.881  497.899  430.855   30.223   0.6798   23.093   7.9438 7.130495 7.972830 
1 1 1   -9   40    6 o   25.703   3.9917  1005.40   38.532  1011.01   38.652  109.977  488.472   32.271   0.6170   19.136   7.9594 13.13514 7.983304 
1 1 1   -9   40    7 o   67.677   0.7518  4447.15   98.761  4447.15   98.761   0.0000   0.0000   67.677   0.7518  ?   ?       ?      ? 
1 1 1   -9   40    8 o   50.249   0.7874  2451.67   76.801  2451.67   76.801   0.0000   0.0000   50.249   0.7874  ?   ?       ?      ? 
1 1 1   -9   40    9 o   78.237   0.8294  5943.92  125.968  5943.92  125.968   0.0000   0.0000   78.237   0.8294  ?   ?       ?      ? 
1 1 1   -9   40   10 o   38.618   0.6106  1447.91   45.777  1447.91   45.777   0.0000   0.0000   38.618   0.6106  ?   ?       ?      ? 
1 1 1   -9   40   11 o   64.903   0.9113  4091.13  114.818  4091.13  114.818   0.0000   0.0000   64.903   0.9113  ?   ?       ?      ? 
1 1 1   -9   40   12 o   58.569   0.8555  3331.62   97.266  3331.62   97.266   0.0000   0.0000   58.569   0.8555  ?   ?       ?      ? 
1 1 1   -9   40   13 o   33.558   0.7940  1093.65   51.725  1093.65   51.725   0.0000   0.0000   33.558   0.7940  ?   ?       ?      ? 
1 1 1   -9   40   14 o   92.134   1.2106  8251.22  216.513  8251.22  216.513   0.0000   0.0000   92.134   1.2106  ?   ?       ?      ? 
1 1 1   -9   40   15 o   43.430   0.5991  1837.05   50.278  1889.69   68.496  1775.55   74.035   44.108   0.8000   42.752   0.8921 1.356628 1.198258 
1 1 1   -9   40   16 o   33.002   0.6528  1049.29   41.625  1153.56   62.643  966.843   55.700   34.457   0.9366   31.546   0.9096 2.910772 1.305555 
1 1 1   -9   40   17 o   69.603   0.8087  4759.49  106.310  4938.91  136.918  4487.12  168.698   71.287   0.9894   67.918   1.2795 3.368828 1.617473 
1 1 1   -9   40   18 o   20.937   0.9864  421.635   39.839  479.419   60.494  377.379   52.941   22.188   1.4045   19.686   1.3854 2.501431 1.972801 
1 1 1   -9   40   19 o   55.631   0.9479  3007.07   97.625  3042.48  165.523  2988.18  120.890   55.850   1.5268   55.412   1.1239 0.4380798 1.895811 
1 1 1   -9   40   20 o   36.115   0.8450  1250.37   57.867  1362.49   93.998  1181.94   73.432   37.387   1.2952   34.844   1.0857 2.542843 1.690032 
1 1 1   -9   40   21 o   30.474   0.9475  894.268   54.212  953.448   90.041  860.616   67.899   31.234   1.4851   29.713   1.1772 1.521496 1.895049 
1 1 1   -9   40   22 o   5.9937   1.9580 -76.6473   48.730  -0.1371   88.818 -109.5963   58.286   7.6936   3.3052   4.2938   2.1000 3.399838 3.915929 
1 1 1   -9   40   23 o   28.980   1.0433  818.299   56.900  848.162   93.338  800.638   71.780   29.360   1.6377   28.599   1.2930 0.7613907 2.086580 
1 1 1   -9   40   24 o   38.118   0.9489  1408.55   67.884  1494.16  112.701  1359.80   85.042   38.967   1.4899   37.270   1.1755 1.697067 1.897800 
1 1 1   -9   40   25 o   11.370   2.0318  139.064   52.543   32.600   79.623  221.185   69.930   7.9582   3.2518   14.783   2.4369 -6.824671 4.063593 
1 1 1   -9   40   26 f   14.538   2.1946  235.103   60.953  166.717   91.526  289.605   81.707   12.255   3.6060   16.821   2.5023 -4.566779 4.389184 
1 1 1   -9   40   27 o   20.327   1.4845  418.392   58.505  437.740   85.341  401.238   80.360   20.762   2.1175   19.893   2.0811 0.8694649 2.968929 
1 1 1   -9   40   28 o   10.547   2.6213  122.179   65.791  115.045  106.303  126.608   83.760   10.459   3.9018   10.634   3.5015 -0.1748810 5.242628 
1 1 1   -9   41    1 o   79.088   0.9209  6013.06  129.676  5918.44  154.499  6238.63  238.542   78.063   1.0196   80.113   1.5339 -2.050529 1.841836 
1 1 1   -9   41    2 o   95.603   0.9554  8897.91  155.532  8915.85  180.902  8847.06  304.548   95.815   0.9726   95.392   1.6447 0.4233170 1.910746 
1 1 1   -9   41    3 o  100.426   0.9911  9941.74  170.905 10108.55  200.472  9498.00  326.965  102.020   1.0123   98.832   1.7043 3.187950 1.982231 
1 1 1   -9   41    4 o   97.131   0.9952  9234.55  164.728  9307.68  191.965  9030.30  320.817   97.895   1.0102   96.366   1.7150 1.528976 1.990409 
1 1 1   -9   41    5 o   11.888   2.0321  166.386   32.312  175.799   34.013   79.285  103.465   13.451   1.3027   10.324   3.8498 3.126444 4.064251 
1 1 1   -9   41    6 o   54.234   0.6564  2855.60   69.103  2855.60   69.103   0.0000   0.0000   54.234   0.6564  ?   ?       ?      ? 
1 1 1   -9   41    7 o   75.186   0.8090  5489.11  118.070  5489.11  118.070   0.0000   0.0000   75.186   0.8090  ?   ?       ?      ? 
1 1 1   -9   41    8 f   38.622   0.5909  1448.12   44.301  1448.12   44.301   0.0000   0.0000   38.622   0.5909  ?   ?       ?      ? 
1 1 1   -9   41    9 o   56.723   0.6701  3123.97   73.790  3123.97   73.790   0.0000   0.0000   56.723   0.6701  ?   ?       ?      ? 
1 1 1   -9   41   10 o  119.520   1.2242 13881.32  284.028 13881.32  284.028   0.0000   0.0000  119.520   1.2242  ?   ?       ?      ? 
1 1 1   -9   41   11 o   47.164   0.8049  2160.28   73.689  2160.28   73.689   0.0000   0.0000   47.164   0.8049  ?   ?       ?      ? 
1 1 1   -9   41   12 o   38.176   0.7854  1415.36   58.203  1415.36   58.203   0.0000   0.0000   38.176   0.7854  ?   ?       ?      ? 
1 1 1   -9   41   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   41   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   41   15 o   41.861   0.6120  1701.01   49.695  1670.26   68.749  1734.66   71.915   41.466   0.8541   42.257   0.8767 -0.7908478 1.223975 
1 1 1   -9   41   16 o   12.918   1.2813  164.045   31.623  154.129   48.416  171.422   41.762   12.570   1.9843   13.267   1.6216 -0.6975899 2.562588 
1 1 1   -9   41   17 o   44.710   0.6705  1948.43   58.004  2030.61   79.966  1857.17   84.264   45.711   0.9012   43.710   0.9931 2.001640 1.341052 
1 1 1   -9   41   18 o   44.426   0.6873  1917.22   59.041  1897.14   79.827  1941.47   87.725   44.173   0.9310   44.679   1.0115 -0.5061378 1.374679 
1 1 1   -9   41   19 o   36.669   0.6897  1303.84   48.956  1255.86   66.333  1361.24   72.553   35.933   0.9510   37.406   0.9992 -1.473110 1.379405 
1 1 1   -9   41   20 o   17.078   1.2140  285.450   40.228  287.676   57.838  283.364   55.990   17.141   1.7383   17.016   1.6951 0.1253033 2.427966 
1 1 1   -9   41   21 o   42.240   0.8298  1725.06   66.659  1812.53  106.608  1668.92   85.415   43.094   1.2744   41.386   1.0632 1.707531 1.659666 
1 1 1   -9   41   22 o   6.6345   2.0564  -7.3723   47.823 -30.6683   86.846   2.7661   57.292   6.9808   3.1227   6.2882   2.6767 0.6925259 4.112883 
1 1 1   -9   41   23 o   30.137   1.0775  893.205   59.549  893.741  102.604  892.933   73.126   30.079   1.7573   30.196   1.2475 -0.1176186 2.155074 
1 1 1   -9   41   24 o   16.145   1.9936  293.914   53.975  213.861   96.349  330.527   65.159   14.032   3.5380   18.258   1.8385 -4.225399 3.987160 
1 1 1   -9   41   25 o   18.461   1.5460  340.662   55.025  365.345   83.842  321.987   72.929   19.017   2.2711   17.905   2.0983 1.112642 3.092064 
1 1 1   -9   41   26 o   12.930   2.3787  180.178   59.255  217.219   95.122  156.690   75.746   13.926   3.5177   11.935   3.2028 1.991099 4.757342 
1 1 1   -9   41   27 o   14.905   2.2064  246.469   60.984  228.783   99.332  257.168   77.257   14.091   3.6141   15.718   2.5321 -1.627294 4.412793 
1 1 1   -9   42    1 o  101.413   1.0834 10050.20  200.121 10151.38  244.614  9845.42  347.997  102.217   1.2328  100.609   1.7819 1.608093 2.166754 
1 1 1   -9   42    2 o   61.963   0.8180  3774.80   79.620  3807.07   89.568  3653.27  173.824   62.618   0.7369   61.307   1.4606 1.310600 1.635949 
1 1 1   -9   42    3 o  114.702   1.1263 12756.51  221.999 12716.48  259.196 12866.71  430.095  114.411   1.1671  114.993   1.9268 -0.5825882 2.252655 
1 1 1   -9   42    4 o   23.778   1.3182  556.284   36.746  557.891   38.798  542.287  114.511   23.969   0.8339   23.587   2.5010 0.3823967 2.636338 
1 1 1   -9   42    5 o   91.532   0.9779  8113.70  147.634  8087.92  168.824  8197.46  304.366   91.256   0.9530   91.808   1.7079 -0.5515366 1.955770 
1 1 1   -9   42    6 o   13.247   1.3029  170.535   33.505  170.535   33.505   0.0000   0.0000   13.247   1.3029  ?   ?       ?      ? 
1 1 1   -9   42    7 o   75.277   0.8085  5502.61  118.138  5502.61  118.138   0.0000   0.0000   75.277   0.8085  ?   ?       ?      ? 
1 1 1   -9   42    8 o   28.217   0.6597  773.064   36.136  773.064   36.136   0.0000   0.0000   28.217   0.6597  ?   ?       ?      ? 
1 1 1   -9   42    9 o   26.922   0.8103  703.830   42.343  703.830   42.343   0.0000   0.0000   26.922   0.8103  ?   ?       ?      ? 
1 1 1   -9   42   10 o   7.0905   1.9817   50.343   28.333   50.343   28.333   0.0000   0.0000   7.0905   1.9817  ?   ?       ?      ? 
1 1 1   -9   42   11 o   4.8292   2.1053  -7.5020   37.107  -7.5020   37.107   0.0000   0.0000   4.8292   2.1053  ?   ?       ?      ? 
1 1 1   -9   42   12 o   70.270   0.9703  4797.08  132.354  4797.08  132.354   0.0000   0.0000   70.270   0.9703  ?   ?       ?      ? 
1 1 1   -9   42   13 o   81.856   1.0861  6512.05  172.579  6512.05  172.579   0.0000   0.0000   81.856   1.0861  ?   ?       ?      ? 
1 1 1   -9   42   14 o   80.522   1.0992  6301.61  171.814  6301.61  171.814   0.0000   0.0000   80.522   1.0992  ?   ?       ?      ? 
1 1 1   -9   42   15 o   32.178   0.9079  1006.01   56.708  1006.01   56.708   0.0000   0.0000   32.178   0.9079  ?   ?       ?      ? 
1 1 1   -9   42   16 o   37.286   0.9260  1351.07   67.023  1351.07   67.023   0.0000   0.0000   37.286   0.9260  ?   ?       ?      ? 
1 1 1   -9   42   17 o   12.337   1.4869  151.266   34.845  146.665   49.717  155.709   48.852   12.054   2.2060   12.619   1.9942 -0.5654211 2.973815 
1 1 1   -9   42   18 o   13.868   1.4229  187.761   37.846  192.042   58.488  184.677   49.640   13.995   2.1529   13.742   1.8609 0.2534332 2.845703 
1 1 1   -9   42   19 o   15.497   1.3651  241.434   39.748  206.724   61.855  265.847   51.875   14.501   2.1975   16.492   1.6204 -1.991431 2.730284 
1 1 1   -9   42   20 o   34.855   0.7421  1182.96   50.175  1124.62   70.336  1243.42   71.597   33.978   1.0664   35.732   1.0322 -1.753757 1.484143 
1 1 1   -9   42   21 o   17.011   1.5333  291.940   47.309  268.620   81.324  303.870   58.164   16.428   2.5502   17.594   1.7030 -1.166353 3.066543 
1 1 1   -9   42   22 o   20.600   1.3356  407.291   50.573  457.062   88.958  383.523   61.473   21.451   2.1364   19.748   1.6036 1.702496 2.671226 
1 1 1   -9   42   23 o   34.616   0.9239  1151.21   60.573  1283.59   99.071  1072.18   76.546   36.142   1.4121   33.090   1.1917 3.051689 1.847745 
1 1 1   -9   42   24 o   14.740   2.0650  221.644   54.960  246.064   95.884  209.695   67.071   15.073   3.3625   14.408   2.3981 0.6650724 4.130076 
1 1 1   -9   42   25 o   29.662   1.0913  877.283   61.274  842.739   96.995  900.224   79.043   29.102   1.7170   30.221   1.3474 -1.119249 2.182512 
1 1 1   -9   42   26 o   11.744   2.3274  155.024   58.034   94.820   85.382  206.721   79.120   9.7446   3.5199   13.743   3.0459 -3.998013 4.654787 
1 1 1   -9   42   27 f   8.0564   2.3962   30.350   62.681   45.162   98.266   20.189   81.389   8.5961   3.5723   7.5168   3.1948 1.079348 4.792486 
1 1 1   -9   43    1 o   68.237   0.8797  4473.17  106.286  4401.35  126.109  4649.31  197.478   67.318   0.9651   69.157   1.4710 -1.839485 1.759323 
1 1 1   -9   43    2 o   38.765   0.8648  1435.17   49.050  1422.44   53.773  1498.24  119.699   38.275   0.7237   39.254   1.5709 -0.9789886 1.729573 
1 1 1   -9   43    3 o   27.605   1.1515  712.275   41.228  702.766   44.013  780.358  117.771   26.901   0.8428   28.308   2.1432 -1.406347 2.302995 
1 1 1   -9   43    4 o  101.300   1.0716  9866.77  177.647  9773.92  202.139 10181.75  372.326  100.310   1.0381  102.290   1.8751 -1.979729 2.143287 
1 1 1   -9   43    5 o   17.339   1.0814  292.049   36.399  292.049   36.399   0.0000   0.0000   17.339   1.0814  ?   ?       ?      ? 
1 1 1   -9   43    6 f   52.856   0.6774  2712.59   69.503  2712.59   69.503   0.0000   0.0000   52.856   0.6774  ?   ?       ?      ? 
1 1 1   -9   43    7 o   14.654   1.1784  208.648   33.520  208.648   33.520   0.0000   0.0000   14.654   1.1784  ?   ?       ?      ? 
1 1 1   -9   43    8 o   80.074   0.8499  6227.19  132.107  6227.19  132.107   0.0000   0.0000   80.074   0.8499  ?   ?       ?      ? 
1 1 1   -9   43    9 o   32.201   0.6362  1006.79   39.769  1006.79   39.769   0.0000   0.0000   32.201   0.6362  ?   ?       ?      ? 
1 1 1   -9   43   10 o   38.908   0.7433  1470.08   56.142  1470.08   56.142   0.0000   0.0000   38.908   0.7433  ?   ?       ?      ? 
1 1 1   -9   43   11 o   49.948   0.7915  2422.91   76.744  2422.91   76.744   0.0000   0.0000   49.948   0.7915  ?   ?       ?      ? 
1 1 1   -9   43   12 f   36.407   0.8147  1287.42   57.578  1287.42   57.578   0.0000   0.0000   36.407   0.8147  ?   ?       ?      ? 
1 1 1   -9   43   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   43   14 o   59.012   0.8963  3383.41  102.672  3383.41  102.672   0.0000   0.0000   59.012   0.8963  ?   ?       ?      ? 
1 1 1   -9   43   15 o   48.027   0.8728  2241.14   81.370  2241.14   81.370   0.0000   0.0000   48.027   0.8728  ?   ?       ?      ? 
1 1 1   -9   43   16 o   5.1706   1.6186 -15.5123   31.489  -7.4596   49.834 -20.8645   40.627   5.6493   2.4514   4.6920   2.1143 0.9572735 3.237202 
1 1 1   -9   43   17 o   49.275   0.6849  2366.25   65.282  2428.57   89.379  2295.00   95.579   49.977   0.9213   48.574   1.0137 1.402939 1.369785 
1 1 1   -9   43   18 o   8.2763   1.9409   65.092   36.572   48.221   57.990   76.233   47.125   7.8245   2.8892   8.7281   2.5925 -0.9035358 3.881829 
1 1 1   -9   43   19 o   41.531   0.6879  1686.92   55.182  1800.06   76.157  1561.87   80.069   43.011   0.9121   40.051   1.0299 2.960350 1.375745 
1 1 1   -9   43   20 f   26.843   0.8703  700.837   45.118  724.713   67.770  681.831   60.467   27.246   1.2813   26.440   1.1781 0.8065891 1.740640 
1 1 1   -9   43   21 o   16.255   1.3498  259.173   42.444  290.150   62.713  232.991   57.656   17.149   1.8839   15.361   1.9336 1.788388 2.699583 
1 1 1   -9   43   22 o   29.433   1.0233  857.250   55.640  830.286   93.623  871.973   69.182   29.016   1.6622   29.850   1.1940 -0.8339920 2.046570 
1 1 1   -9   43   23 o   25.328   1.1459  643.288   54.556  588.089   86.688  679.488   70.202   24.355   1.8336   26.301   1.3750 -1.945404 2.291875 
1 1 1   -9   43   24 o   28.577   1.1371  798.452   61.353  852.180  100.377  766.408   77.519   29.276   1.7663   27.878   1.4325 1.398516 2.274132 
1 1 1   -9   43   25 o   8.4481   2.4228   40.239   59.533   71.473  100.916   23.567   73.729   9.4622   3.7307   7.4340   3.0922 2.028177 4.845606 
1 1 1   -9   43   26 o   16.576   2.0788  296.077   62.397  293.718  103.901  297.407   78.035   16.162   3.4186   16.990   2.3660 -0.8288212 4.157510 
1 1 1   -9   44    1 o   75.096   0.8769  5522.39  108.035  5559.75  123.558  5401.10  222.631   75.664   0.8412   74.529   1.5389 1.135612 1.753778 
1 1 1   -9   44    2 o   41.335   0.8989  1682.89   53.122  1693.85   58.122  1627.28  130.911   41.767   0.7169   40.903   1.6488 0.8641586 1.797873 
1 1 1   -9   44    3 o   45.515   0.8051  1979.81   54.468  1961.94   59.963  2064.14  130.257   44.952   0.6872   46.078   1.4563 -1.126221 1.610271 
1 1 1   -9   44    4 o   30.904   1.1480  984.035   44.176  1001.98   47.228  858.520  124.903   32.123   0.7574   29.685   2.1675 2.437237 2.296038 
1 1 1   -9   44    5 o   90.136   0.9391  7891.34  164.313  7891.34  164.313   0.0000   0.0000   90.136   0.9391  ?   ?       ?      ? 
1 1 1   -9   44    6 o   29.913   0.7317  868.889   42.489  868.889   42.489   0.0000   0.0000   29.913   0.7317  ?   ?       ?      ? 
1 1 1   -9   44    7 o  116.069   1.1842 13092.74  266.820 13092.74  266.820   0.0000   0.0000  116.069   1.1842  ?   ?       ?      ? 
1 1 1   -9   44    8 o   34.730   0.6662  1171.18   44.910  1171.18   44.910   0.0000   0.0000   34.730   0.6662  ?   ?       ?      ? 
1 1 1   -9   44    9 o   73.629   0.8072  5264.94  115.364  5264.94  115.364   0.0000   0.0000   73.629   0.8072  ?   ?       ?      ? 
1 1 1   -9   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   44   11 o   10.951   1.7932  116.812   38.119  116.812   38.119   0.0000   0.0000   10.951   1.7932  ?   ?       ?      ? 
1 1 1   -9   44   12 f   13.234   1.7955  170.602   46.125  170.602   46.125   0.0000   0.0000   13.234   1.7955  ?   ?       ?      ? 
1 1 1   -9   44   13 o   40.209   0.8283  1570.55   64.649  1570.55   64.649   0.0000   0.0000   40.209   0.8283  ?   ?       ?      ? 
1 1 1   -9   44   14 o   26.991   1.0186  708.066   53.368  708.066   53.368   0.0000   0.0000   26.991   1.0186  ?   ?       ?      ? 
1 1 1   -9   44   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   44   16 o   35.417   0.6405  1219.33   44.030  1243.54   62.627  1195.67   61.916   35.764   0.9021   35.069   0.9095 0.6956482 1.281015 
1 1 1   -9   44   17 o   9.2668   1.8616   86.185   34.667   90.863   54.045   82.915   45.188   9.4952   2.7645   9.0383   2.4941 0.4569073 3.723277 
1 1 1   -9   44   18 o   25.046   0.8354  616.832   39.999  575.626   60.980  647.951   52.993   24.295   1.2930   25.797   1.0583 -1.501316 1.670853 
1 1 1   -9   44   19 o   25.317   0.9009  625.219   43.900  627.144   66.579  623.738   58.393   25.343   1.3534   25.291   1.1894 0.5157471E-01 1.801735 
1 1 1   -9   44   20 o   29.779   0.8019  856.874   46.048  937.148   70.207  796.269   61.003   30.986   1.1672   28.571   1.0999 2.414888 1.603798 
1 1 1   -9   44   21 o   46.221   0.7213  2091.85   64.229  2147.15   86.370  2023.44   96.070   46.924   0.9482   45.518   1.0873 1.405472 1.442662 
1 1 1   -9   44   22 o   23.970   1.1902  560.430   52.581  590.092   90.740  545.435   64.517   24.379   1.9174   23.560   1.4107 0.8191586 2.380462 
1 1 1   -9   44   23 o   26.117   1.1094  678.472   53.898  655.825   89.233  691.481   67.628   25.704   1.7884   26.529   1.3132 -0.8256874 2.218760 
1 1 1   -9   44   24 f   14.399   2.1099  215.098   54.881  252.132   93.850  195.852   67.655   15.196   3.2778   13.602   2.6576 1.593938 4.219819 
1 1 1   -9   44   25 o   8.0526   2.3241   3.0370   59.648  105.341   98.551 -56.1038   74.931   10.265   3.7703   5.8397   2.7185 4.425751 4.648163 
1 1 1   -9   44   26 o   6.2673   2.0814 -68.1779   63.252 -102.8678  103.821 -47.7016   79.765   6.3904   3.0428   6.1441   2.8410 0.2462554 4.162882 
1 1 1   -9   45    1 o   11.370   2.0846  145.757   41.034  161.906   44.978   65.585  100.215   12.897   1.7966   9.8437   3.7623 3.053279 4.169257 
1 1 1   -9   45    2 o   51.770   0.8455  2624.13   65.894  2635.66   73.048  2573.76  152.672   52.099   0.7223   51.442   1.5289 0.6569824 1.690932 
1 1 1   -9   45    3 o   39.079   0.9332  1362.55   49.864  1316.89   53.525  1662.44  137.174   36.825   0.7488   41.332   1.7097 -4.506348 1.866482 
1 1 1   -9   45    4 o   74.311   0.8789  5313.14  104.661  5271.97  118.124  5463.48  225.737   73.677   0.8259   74.944   1.5517 -1.266869 1.757794 
1 1 1   -9   45    5 o   27.170   0.8067  716.934   42.549  716.934   42.549   0.0000   0.0000   27.170   0.8067  ?   ?       ?      ? 
1 1 1   -9   45    6 o   23.615   0.8638  541.630   39.598  541.630   39.598   0.0000   0.0000   23.615   0.8638  ?   ?       ?      ? 
1 1 1   -9   45    7 o   68.290   0.7767  4528.88  102.956  4528.88  102.956   0.0000   0.0000   68.290   0.7767  ?   ?       ?      ? 
1 1 1   -9   45    8 o   34.896   0.6913  1182.48   46.830  1182.48   46.830   0.0000   0.0000   34.896   0.6913  ?   ?       ?      ? 
1 1 1   -9   45    9 o   46.500   0.6499  2099.60   58.664  2099.60   58.664   0.0000   0.0000   46.500   0.6499  ?   ?       ?      ? 
1 1 1   -9   45   10 o   26.353   0.9118  674.672   46.646  674.672   46.646   0.0000   0.0000   26.353   0.9118  ?   ?       ?      ? 
1 1 1   -9   45   11 o   61.810   0.9015  3711.56  108.164  3711.56  108.164   0.0000   0.0000   61.810   0.9015  ?   ?       ?      ? 
1 1 1   -9   45   12 o   54.985   0.8514  2937.07   90.874  2937.07   90.874   0.0000   0.0000   54.985   0.8514  ?   ?       ?      ? 
1 1 1   -9   45   13 f   46.379   0.8581  2089.81   77.252  2089.81   77.252   0.0000   0.0000   46.379   0.8581  ?   ?       ?      ? 
1 1 1   -9   45   14 o   41.464   0.8831  1670.81   71.076  1670.81   71.076   0.0000   0.0000   41.464   0.8831  ?   ?       ?      ? 
1 1 1   -9   45   15 o   74.399   1.0186  5383.50  147.112  5383.50  147.112   0.0000   0.0000   74.399   1.0186  ?   ?       ?      ? 
1 1 1   -9   45   16 o   10.597   1.6216  123.589   31.527   77.972   54.160  146.970   38.774   8.9263   2.8048   12.269   1.6281 -3.342316 3.243120 
1 1 1   -9   45   17 o   38.227   0.9545  1421.81   70.831  1421.81   70.831   0.0000   0.0000   38.227   0.9545  ?   ?       ?      ? 
1 1 1   -9   45   18 o   11.235   1.6457  125.980   35.392  162.912   52.210   94.581   48.141   12.867   2.0903   9.6032   2.5425 3.263806 3.291429 
1 1 1   -9   45   19 o   31.528   0.7552  966.344   46.111  1004.15   68.042  934.236   62.706   32.093   1.0922   30.962   1.0433 1.131367 1.510426 
1 1 1   -9   45   20 o   22.742   0.9634  505.749   41.921  511.019   65.148  502.024   54.766   22.826   1.4703   22.657   1.2452 0.1683865 1.926720 
1 1 1   -9   45   21 o   20.219   1.1698  401.221   45.676  422.912   68.818  384.142   61.066   20.693   1.7132   19.745   1.5933 0.9482117 2.339596 
1 1 1   -9   45   22 o   6.7631   2.1038  -9.4435   49.436  -3.2447   89.783 -12.1406   59.223   7.5578   3.2850   5.9685   2.6291 1.589306 4.207523 
1 1 1   -9   45   23 o   16.943   1.8947  320.881   54.003  240.767   94.062  360.272   65.957   14.858   3.3423   19.029   1.7856 -4.171119 3.789349 
1 1 1   -9   45   24 o   13.087   2.3515  180.947   55.864  211.981  103.529  168.199   66.353   13.668   3.7766   12.505   2.8028 1.162745 4.703023 
1 1 1   -9   45   25 o   14.462   2.2482  242.350   61.676  172.494   98.693  287.111   79.002   12.255   3.7758   16.668   2.4416 -4.413198 4.496462 
1 1 1   -9   46    1 o   58.018   0.8680  3400.43   77.478  3488.39   86.958  3061.72  170.641   59.935   0.7474   56.101   1.5669 3.833988 1.736038 
1 1 1   -9   46    2 o   37.015   0.9714  1347.01   51.421  1354.25   56.251  1310.18  126.844   37.343   0.7760   36.687   1.7811 0.6562195 1.942823 
1 1 1   -9   46    3 o   22.217   1.3737  514.275   40.468  527.846   43.825  435.743  105.423   23.310   0.9685   21.124   2.5709 2.186199 2.747311 
1 1 1   -9   46    4 o   18.100   1.9561  336.239   41.217  339.217   43.763  312.848  122.646   18.682   1.2067   17.518   3.7214 1.163931 3.912178 
1 1 1   -9   46    5 o   47.506   0.7083  2191.44   65.313  2191.44   65.313   0.0000   0.0000   47.506   0.7083  ?   ?       ?      ? 
1 1 1   -9   46    6 o   21.724   0.9784  458.480   41.260  458.480   41.260   0.0000   0.0000   21.724   0.9784  ?   ?       ?      ? 
1 1 1   -9   46    7 o   48.719   0.6739  2304.84   63.735  2304.84   63.735   0.0000   0.0000   48.719   0.6739  ?   ?       ?      ? 
1 1 1   -9   46    8 o   83.460   0.8871  6766.71  143.717  6766.71  143.717   0.0000   0.0000   83.460   0.8871  ?   ?       ?      ? 
1 1 1   -9   46    9 o   21.946   0.8711  467.861   37.109  467.861   37.109   0.0000   0.0000   21.946   0.8711  ?   ?       ?      ? 
1 1 1   -9   46   10 o   25.627   0.9335  638.081   46.439  638.081   46.439   0.0000   0.0000   25.627   0.9335  ?   ?       ?      ? 
1 1 1   -9   46   11 f   62.210   0.8997  3760.11  108.644  3760.11  108.644   0.0000   0.0000   62.210   0.8997  ?   ?       ?      ? 
1 1 1   -9   46   12 o   22.993   1.1299  514.008   50.430  514.008   50.430   0.0000   0.0000   22.993   1.1299  ?   ?       ?      ? 
1 1 1   -9   46   13 o   52.534   0.8977  2682.14   91.546  2682.14   91.546   0.0000   0.0000   52.534   0.8977  ?   ?       ?      ? 
1 1 1   -9   46   14 o   36.546   0.8776  1298.30   62.262  1298.30   62.262   0.0000   0.0000   36.546   0.8776  ?   ?       ?      ? 
1 1 1   -9   46   15 o   24.912   1.1333  604.055   54.804  604.055   54.804   0.0000   0.0000   24.912   1.1333  ?   ?       ?      ? 
1 1 1   -9   46   16 o   18.448   1.4805  332.185   53.018  332.185   53.018   0.0000   0.0000   18.448   1.4805  ?   ?       ?      ? 
1 1 1   -9   46   17 o   38.736   0.6814  1460.42   51.231  1491.39   72.767  1429.98   72.140   39.144   0.9576   38.329   0.9696 0.8156548 1.362776 
1 1 1   -9   46   18 f   31.228   0.7445  943.844   44.948  1020.86   67.377  882.086   60.337   32.366   1.0724   30.090   1.0330 2.275761 1.488993 
1 1 1   -9   46   19 o   16.007   1.2886  247.291   39.311  278.802   63.159  227.362   50.227   16.808   1.9358   15.207   1.7015 1.600933 2.577263 
1 1 1   -9   46   20 o   26.708   0.8405  696.088   43.459  719.386   64.273  676.464   58.988   27.113   1.2212   26.303   1.1553 0.8100319 1.681050 
1 1 1   -9   46   21 o   25.366   0.9473  629.266   46.563  673.401   68.295  590.931   63.649   26.193   1.3432   24.538   1.3362 1.654881 1.894631 
1 1 1   -9   46   22 o   8.7782   2.0811   74.661   43.034  100.732   60.075   47.184   61.674   9.7959   2.9311   7.7605   2.9550 2.035423 4.162143 
1 1 1   -9   46   23 o   16.739   1.7782  267.036   54.985  354.241   97.838  226.778   66.476   18.525   2.7207   14.953   2.2902 3.572127 3.556360 
1 1 1   -9   46   24 o   10.902   2.4381  126.433   55.986  147.205   93.878  114.966   69.747   11.505   3.7015   10.298   3.1744 1.207402 4.876239 
1 1 1   -9   46   25 o   21.478   1.4961  454.722   61.239  584.951   97.772  370.646   78.559   23.923   2.1054   19.033   2.1263 4.889446 2.992295 
1 1 1   -9   47    1 o   28.347   1.1833  717.613   46.758  691.807   50.374  878.276  125.689   26.685   0.9725   30.009   2.1577 -3.323982 2.366700 
1 1 1   -9   47    2 o   34.339   1.0333  1129.35   49.972  1121.45   54.304  1172.97  127.671   33.980   0.8233   34.699   1.8955 -0.7191391 2.066527 
1 1 1   -9   47    3 o   20.681   1.6115  397.838   43.572  391.233   46.554  444.511  123.752   20.062   1.1954   21.300   2.9931 -1.237696 3.222960 
1 1 1   -9   47    4 f   82.544   0.9422  6539.54  124.279  6475.00  140.050  6778.65  269.576   81.643   0.8837   83.445   1.6643 -1.801872 1.884314 
1 1 1   -9   47    5 o   21.883   1.0439  465.348   44.343  465.348   44.343   0.0000   0.0000   21.883   1.0439  ?   ?       ?      ? 
1 1 1   -9   47    6 o   51.889   0.8690  2615.50   87.528  2615.50   87.528   0.0000   0.0000   51.889   0.8690  ?   ?       ?      ? 
1 1 1   -9   47    7 o   5.5832   2.2502   13.354   37.525   13.354   37.525   0.0000   0.0000   5.5832   2.2502  ?   ?       ?      ? 
1 1 1   -9   47    8 o   51.268   0.6917  2552.52   68.838  2552.52   68.838   0.0000   0.0000   51.268   0.6917  ?   ?       ?      ? 
1 1 1   -9   47    9 o   91.661   0.9708  8163.97  172.732  8163.97  172.732   0.0000   0.0000   91.661   0.9708  ?   ?       ?      ? 
1 1 1   -9   47   10 o   42.600   0.8326  1762.95   68.850  1762.95   68.850   0.0000   0.0000   42.600   0.8326  ?   ?       ?      ? 
1 1 1   -9   47   11 o   94.031   1.2225  8599.79  223.143  8599.79  223.143   0.0000   0.0000   94.031   1.2225  ?   ?       ?      ? 
1 1 1   -9   47   12 o   70.503   0.9970  4832.43  136.450  4832.43  136.450   0.0000   0.0000   70.503   0.9970  ?   ?       ?      ? 
1 1 1   -9   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   47   14 o   11.335   2.3609  130.816   50.261  130.816   50.261   0.0000   0.0000   11.335   2.3609  ?   ?       ?      ? 
1 1 1   -9   47   15 o   18.915   1.4493  349.098   53.214  349.098   53.214   0.0000   0.0000   18.915   1.4493  ?   ?       ?      ? 
1 1 1   -9   47   16 o   6.9467   2.7978   22.829   57.964   22.829   57.964   0.0000   0.0000   6.9467   2.7978  ?   ?       ?      ? 
1 1 1   -9   47   17 o   13.554   1.3490  179.834   34.967  184.432   54.631  176.643   45.510   13.687   2.0562   13.422   1.7468 0.2658300 2.697975 
1 1 1   -9   47   18 o   37.377   0.7890  1355.32   55.530  1394.16   90.830  1332.15   70.171   37.780   1.2385   36.974   0.9777 0.8055687 1.577908 
1 1 1   -9   47   19 o   12.082   1.7269  140.516   39.433  209.818   63.355   96.691   50.381   14.515   2.2485   9.6500   2.6215 4.864894 3.453700 
1 1 1   -9   47   20 o   6.8203   1.9435   12.376   40.882   55.839   62.989 -19.2609   53.740   8.1364   3.0098   5.5042   2.4597 2.632150 3.886999 
1 1 1   -9   47   21 o   24.389   1.0204  584.113   47.958  595.803   72.624  575.072   63.864   24.586   1.5217   24.191   1.3600 0.3941956 2.040862 
1 1 1   -9   47   22 o   10.089   2.2063  103.334   47.850  139.265   73.495   76.898   63.040   11.340   3.1995   8.8384   3.0387 2.502027 4.412546 
1 1 1   -9   47   23 o   32.612   1.0485  1023.51   62.830  1145.77  110.537  965.152   76.366   33.919   1.6788   31.306   1.2566 2.612637 2.097026 
1 1 1   -9   47   24 o   20.587   1.5293  444.434   58.678  378.073   92.417  489.256   75.952   19.098   2.4928   22.076   1.7724 -2.977520 3.058685 
1 1 1   -9   48    1 f   41.006   0.9648  1648.64   57.359  1655.40   62.938  1615.50  139.348   41.284   0.7854   40.727   1.7626 0.5572433 1.929639 
1 1 1   -9   48    2 o   79.189   0.9331  6175.91  120.745  6243.77  138.017  5954.53  249.282   80.171   0.8869   78.208   1.6420 1.962425 1.866195 
1 1 1   -9   48    3 o   46.010   0.8483  2107.45   60.706  2142.06   68.202  1975.43  133.191   46.964   0.7481   45.056   1.5229 1.907848 1.696691 
1 1 1   -9   48    4 o   27.902   1.0533  794.941   43.104  816.217   47.729  700.842  100.374   28.988   0.8482   26.816   1.9282 2.171480 2.106560 
1 1 1   -9   48    5 o   23.828   1.0076  551.719   46.607  551.719   46.607   0.0000   0.0000   23.828   1.0076  ?   ?       ?      ? 
1 1 1   -9   48    6 o   61.325   0.7578  3652.54   90.210  3652.54   90.210   0.0000   0.0000   61.325   0.7578  ?   ?       ?      ? 
1 1 1   -9   48    7 o   14.288   1.5139  198.701   41.989  198.701   41.989   0.0000   0.0000   14.288   1.5139  ?   ?       ?      ? 
1 1 1   -9   48    8 o   36.964   0.7190  1327.05   51.591  1327.05   51.591   0.0000   0.0000   36.964   0.7190  ?   ?       ?      ? 
1 1 1   -9   48    9 o   23.573   1.1305  540.260   51.733  540.260   51.733   0.0000   0.0000   23.573   1.1305  ?   ?       ?      ? 
1 1 1   -9   48   10 o   63.063   0.9396  3865.04  115.027  3865.04  115.027   0.0000   0.0000   63.063   0.9396  ?   ?       ?      ? 
1 1 1   -9   48   11 o   21.499   1.1758  449.684   49.070  449.684   49.070   0.0000   0.0000   21.499   1.1758  ?   ?       ?      ? 
1 1 1   -9   48   12 o   73.082   1.0013  5194.29  142.048  5194.29  142.048   0.0000   0.0000   73.082   1.0013  ?   ?       ?      ? 
1 1 1   -9   48   13 o   20.860   1.3103  423.936   53.058  423.936   53.058   0.0000   0.0000   20.860   1.3103  ?   ?       ?      ? 
1 1 1   -9   48   14 o   21.135   1.2675  435.293   52.002  435.293   52.002   0.0000   0.0000   21.135   1.2675  ?   ?       ?      ? 
1 1 1   -9   48   15 o   31.825   1.0221  986.058   63.143  986.058   63.143   0.0000   0.0000   31.825   1.0221  ?   ?       ?      ? 
1 1 1   -9   48   16 o   36.927   0.9286  1327.26   66.561  1327.26   66.561   0.0000   0.0000   36.927   0.9286  ?   ?       ?      ? 
1 1 1   -9   48   17 o   11.071   1.7272  133.218   36.181   86.920   58.745  161.514   45.925   9.3270   2.9196   12.815   1.8462 -3.487659 3.454345 
1 1 1   -9   48   18 o   38.045   0.7000  1409.30   51.649  1494.04   74.659  1331.52   71.528   39.141   0.9826   36.948   0.9973 2.192856 1.400031 
1 1 1   -9   48   19 o   18.329   1.1506  329.100   40.748  352.397   61.325  310.683   54.524   18.898   1.6717   17.760   1.5816 1.138494 2.301257 
1 1 1   -9   48   20 o   5.7910   1.8025 -14.5885   39.325   4.0995   59.004 -29.5229   52.747   6.3687   2.7138   5.2133   2.3730 1.155383 3.604973 
1 1 1   -9   48   21 o   6.5622   1.9338   12.814   41.302  -2.9525   59.606   27.374   57.282   6.1881   2.6831   6.9364   2.7856 -0.7483516 3.867615 
1 1 1   -9   48   22 o   11.853   2.0111  151.285   45.685  153.811   65.025  148.823   64.199   11.952   2.8439   11.755   2.8443 0.1973982 4.022160 
1 1 1   -9   48   23 o   10.104   2.3825   71.677   54.660  201.917  102.305   19.646   64.663   13.263   3.7864   6.9443   2.8928 6.318839 4.765026 
1 1 1   -9   48   24 o   8.2613   2.3906   44.083   57.904   54.271  101.420   39.156   70.528   8.8861   3.6549   7.6364   3.0824 1.249648 4.781195 
1 1 1   -9   49    1 f   62.607   0.8360  3813.12   85.442  3815.26   97.361  3805.93  178.216   62.673   0.8003   62.540   1.4680 0.1326714 1.671950 
1 1 1   -9   49    2 o   21.537   1.8122  532.870   46.234  559.572   49.858  368.974  123.521   23.995   1.0704   19.079   3.4627 4.915724 3.624385 
1 1 1   -9   49    3 o   26.892   1.2785  644.823   48.396  620.130   52.228  794.813  128.720   25.260   1.0651   28.525   2.3247 -3.264757 2.557082 
1 1 1   -9   49    4 o   30.287   0.8768  891.155   51.551  891.155   51.551   0.0000   0.0000   30.287   0.8768  ?   ?       ?      ? 
1 1 1   -9   49    5 o   56.846   0.7423  3138.54   81.908  3138.54   81.908   0.0000   0.0000   56.846   0.7423  ?   ?       ?      ? 
1 1 1   -9   49    6 o   19.538   1.1675  371.144   44.281  371.144   44.281   0.0000   0.0000   19.538   1.1675  ?   ?       ?      ? 
1 1 1   -9   49    7 o   36.829   0.7316  1317.40   52.299  1317.40   52.299   0.0000   0.0000   36.829   0.7316  ?   ?       ?      ? 
1 1 1   -9   49    8 o   12.787   1.6293  159.313   40.444  159.313   40.444   0.0000   0.0000   12.787   1.6293  ?   ?       ?      ? 
1 1 1   -9   49    9 o   76.302   1.0391  5660.43  153.905  5660.43  153.905   0.0000   0.0000   76.302   1.0391  ?   ?       ?      ? 
1 1 1   -9   49   10 o   32.076   0.9088  1000.11   56.588  1000.11   56.588   0.0000   0.0000   32.076   0.9088  ?   ?       ?      ? 
1 1 1   -9   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   49   12 o   36.332   0.8616  1283.34   60.768  1283.34   60.768   0.0000   0.0000   36.332   0.8616  ?   ?       ?      ? 
1 1 1   -9   49   13 o   6.2108   2.5413   13.866   48.716   13.866   48.716   0.0000   0.0000   6.2108   2.5413  ?   ?       ?      ? 
1 1 1   -9   49   14 o   25.274   1.1855  622.516   58.163  622.516   58.163   0.0000   0.0000   25.274   1.1855  ?   ?       ?      ? 
1 1 1   -9   49   15 o   37.125   0.9529  1341.69   68.670  1341.69   68.670   0.0000   0.0000   37.125   0.9529  ?   ?       ?      ? 
1 1 1   -9   49   16 o   18.682   1.5828  341.956   57.399  341.956   57.399   0.0000   0.0000   18.682   1.5828  ?   ?       ?      ? 
1 1 1   -9   49   17 o   4.8249   1.5874 -42.9785   35.463 -44.1527   55.155 -42.1510   46.302   5.0848   2.3551   4.5651   2.1291 0.5196886 3.174841 
1 1 1   -9   49   18 o   24.580   0.8747  583.461   41.331  648.184   64.103  537.410   54.072   25.723   1.2838   23.438   1.1885 2.285501 1.749450 
1 1 1   -9   49   19 o   10.168   1.9054  113.784   41.360   48.001   64.824  158.947   53.713   7.9277   3.0269   12.409   2.3150 -4.481164 3.810714 
1 1 1   -9   49   20 f   10.987   1.8433  136.199   43.528   39.741   68.363  201.967   56.449   7.7587   3.0669   14.215   2.0457 -6.456326 3.686571 
1 1 1   -9   49   21 o   11.097   2.0654  127.673   46.252  183.484   69.997   84.420   61.621   13.096   2.8355   9.0971   3.0037 3.999192 4.130703 
1 1 1   -9   49   22 o   17.963   1.4698  323.589   50.970  374.910   75.417  280.438   69.154   19.286   2.0144   16.641   2.1409 2.645882 2.939585 
1 1 1   -9   49   23 o   15.975   1.9982  275.447   57.105  266.094   96.817  280.437   70.716   15.396   3.3359   16.555   2.2006 -1.158935 3.996381 
1 1 1   -9   50    1 o   36.913   1.0584  1371.30   57.024  1395.77   62.909  1258.55  135.027   37.904   0.8550   35.921   1.9364 1.982372 2.116797 
1 1 1   -9   50    2 o   24.221   1.3719  582.779   47.005  587.793   51.340  556.792  116.877   24.590   1.0755   23.852   2.5243 0.7384796 2.743877 
1 1 1   -9   50    3 o   58.565   0.8440  3327.45   77.979  3321.85   87.631  3348.72  170.920   58.479   0.7720   58.651   1.5012 -0.1718864 1.688087 
1 1 1   -9   50    4 o   21.744   1.1581  459.715   48.880  459.715   48.880   0.0000   0.0000   21.744   1.1581  ?   ?       ?      ? 
1 1 1   -9   50    5 o   36.095   0.7999  1265.66   56.048  1265.66   56.048   0.0000   0.0000   36.095   0.7999  ?   ?       ?      ? 
1 1 1   -9   50    6 o   78.282   0.8612  5954.37  130.871  5954.37  130.871   0.0000   0.0000   78.282   0.8612  ?   ?       ?      ? 
1 1 1   -9   50    7 o   28.724   0.8503  801.695   47.412  801.695   47.412   0.0000   0.0000   28.724   0.8503  ?   ?       ?      ? 
1 1 1   -9   50    8 o   4.8260   2.1471 -15.3906   40.468 -15.3906   40.468   0.0000   0.0000   4.8260   2.1471  ?   ?       ?      ? 
1 1 1   -9   50    9 o   43.480   0.8419  1837.43   71.056  1837.43   71.056   0.0000   0.0000   43.480   0.8419  ?   ?       ?      ? 
1 1 1   -9   50   10 o   37.923   0.8904  1398.19   65.546  1398.19   65.546   0.0000   0.0000   37.923   0.8904  ?   ?       ?      ? 
1 1 1   -9   50   11 o   10.715   2.3740  117.228   48.080  117.228   48.080   0.0000   0.0000   10.715   2.3740  ?   ?       ?      ? 
1 1 1   -9   50   12 o   24.998   1.0154  608.136   49.274  608.136   49.274   0.0000   0.0000   24.998   1.0154  ?   ?       ?      ? 
1 1 1   -9   50   13 o   19.811   1.3899  383.098   53.451  383.098   53.451   0.0000   0.0000   19.811   1.3899  ?   ?       ?      ? 
1 1 1   -9   50   14 o   11.429   2.6557  134.711   57.798  134.711   57.798   0.0000   0.0000   11.429   2.6557  ?   ?       ?      ? 
1 1 1   -9   50   15 o   44.842   0.9073  1957.66   78.974  1957.66   78.974   0.0000   0.0000   44.842   0.9073  ?   ?       ?      ? 
1 1 1   -9   50   16 o   20.298   1.5062  404.055   59.347  404.055   59.347   0.0000   0.0000   20.298   1.5062  ?   ?       ?      ? 
1 1 1   -9   50   17 o   30.733   1.1227  922.991   66.980  922.991   66.980   0.0000   0.0000   30.733   1.1227  ?   ?       ?      ? 
1 1 1   -9   50   18 o   11.528   1.7523  129.391   39.086  200.889   61.557   81.094   50.594   14.167   2.2384   8.8897   2.6967 5.277300 3.504642 
1 1 1   -9   50   19 o   31.494   0.7878  971.265   48.131  953.610   68.898  988.094   67.267   31.209   1.1373   31.779   1.0904 -0.5703773 1.575560 
1 1 1   -9   50   20 o   18.113   1.2680  336.351   43.156  270.123   65.224  387.921   57.555   16.411   2.0475   19.816   1.4963 -3.405224 2.535927 
1 1 1   -9   50   21 o   14.708   1.6436  227.466   44.637  193.819   67.229  253.994   59.695   13.507   2.6588   15.910   1.9329 -2.403420 3.287123 
1 1 1   -9   50   22 o   6.2204   2.0314 -47.7132   54.717 -30.8730   91.318 -57.1462   68.345   6.9536   3.1482   5.4872   2.5682 1.466389 4.062879 
1 1 1   -9   50   23 o   8.7684   2.4055   68.506   58.017   28.643  104.337   86.348   69.804   8.4145   3.5977   9.1224   3.1940 -0.7078638 4.810998 
1 1 1   -9   51    1 o   63.055   0.8628  3836.76   87.700  3812.28   99.249  3923.98  187.325   62.640   0.8162   63.470   1.5204 -0.8302765 1.725650 
1 1 1   -9   51    2 o   43.573   0.9391  1811.48   60.395  1792.34   66.341  1904.10  145.944   42.952   0.7957   44.193   1.7012 -1.241791 1.878109 
1 1 1   -9   51    3 o   17.298   2.0888  304.005   45.413  305.442   48.661  294.306  126.410   17.712   1.4153   16.883   3.9306 0.8286018 4.177621 
1 1 1   -9   51    4 o   28.263   0.9714  776.480   53.296  776.480   53.296   0.0000   0.0000   28.263   0.9714  ?   ?       ?      ? 
1 1 1   -9   51    5 o   27.135   0.9769  715.806   51.455  715.806   51.455   0.0000   0.0000   27.135   0.9769  ?   ?       ?      ? 
1 1 1   -9   51    6 o   14.628   1.5805  208.622   44.879  208.622   44.879   0.0000   0.0000   14.628   1.5805  ?   ?       ?      ? 
1 1 1   -9   51    7 o   16.130   1.4035  253.490   43.943  253.490   43.943   0.0000   0.0000   16.130   1.4035  ?   ?       ?      ? 
1 1 1   -9   51    8 o   42.665   0.7164  1768.69   59.336  1768.69   59.336   0.0000   0.0000   42.665   0.7164  ?   ?       ?      ? 
1 1 1   -9   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   51   10 o   48.186   0.8730  2257.70   81.658  2257.70   81.658   0.0000   0.0000   48.186   0.8730  ?   ?       ?      ? 
1 1 1   -9   51   11 o   28.296   0.9726  779.086   53.423  779.086   53.423   0.0000   0.0000   28.296   0.9726  ?   ?       ?      ? 
1 1 1   -9   51   12 o   15.465   1.5991  233.908   48.003  233.908   48.003   0.0000   0.0000   15.465   1.5991  ?   ?       ?      ? 
1 1 1   -9   51   13 o   10.159   2.6374  106.234   52.467  106.234   52.467   0.0000   0.0000   10.159   2.6374  ?   ?       ?      ? 
1 1 1   -9   51   14 o   46.500   0.9029  2104.99   81.498  2104.99   81.498   0.0000   0.0000   46.500   0.9029  ?   ?       ?      ? 
1 1 1   -9   51   15 o   25.954   1.2097  658.143   60.946  658.143   60.946   0.0000   0.0000   25.954   1.2097  ?   ?       ?      ? 
1 1 1   -9   51   16 f   37.477   1.0059  1370.54   73.176  1370.54   73.176   0.0000   0.0000   37.477   1.0059  ?   ?       ?      ? 
1 1 1   -9   51   17 o   19.396   1.6941  371.640   63.785  371.640   63.785   0.0000   0.0000   19.396   1.6941  ?   ?       ?      ? 
1 1 1   -9   51   18 o   25.522   0.9214  624.752   44.819  714.093   72.095  568.474   57.220   26.959   1.3776   24.084   1.2239 2.874388 1.842785 
1 1 1   -9   51   19 o   6.3793   1.9204   6.5741   41.070   0.0168   65.441   10.835   52.752   6.5416   2.8238   6.2169   2.6033 0.3246441 3.840722 
1 1 1   -9   51   20 o   15.045   1.6059  226.936   45.255  286.135   69.650  183.683   59.535   16.839   2.1307   13.250   2.4032 3.589319 3.211770 
1 1 1   -9   51   21 o   11.479   2.1132  143.617   47.455  152.797   69.839  135.744   64.681   11.803   3.0321   11.154   2.9442 0.6494036 4.226313 
1 1 1   -9   51   22 o   8.2134   2.3214   50.185   56.204   13.742   94.695   70.004   69.834   7.8467   3.3920   8.5801   3.1701 -0.7334189 4.642744 
1 1 1   -9   52    1 o   62.791   0.9276  3846.67  102.023  3856.32  120.716  3822.55  190.864   62.974   0.9875   62.608   1.5705 0.3660927 1.855140 
1 1 1   -9   52    2 o   80.887   0.9550  6340.18  125.252  6313.73  142.168  6431.93  264.750   80.590   0.9088   81.185   1.6799 -0.5952606 1.909992 
1 1 1   -9   52    3 o   55.491   0.8275  2978.73   72.339  2966.05   81.204  3027.51  159.219   55.250   0.7572   55.733   1.4717 -0.4832115 1.655044 
1 1 1   -9   52    4 o   34.409   0.8179  1150.68   54.631  1150.68   54.631   0.0000   0.0000   34.409   0.8179  ?   ?       ?      ? 
1 1 1   -9   52    5 o   25.019   1.0491  608.942   50.954  608.942   50.954   0.0000   0.0000   25.019   1.0491  ?   ?       ?      ? 
1 1 1   -9   52    6 o   36.967   0.7983  1328.15   57.288  1328.15   57.288   0.0000   0.0000   36.967   0.7983  ?   ?       ?      ? 
1 1 1   -9   52    7 o   18.431   1.2692  330.908   45.410  330.908   45.410   0.0000   0.0000   18.431   1.2692  ?   ?       ?      ? 
1 1 1   -9   52    8 o   16.066   1.3972  251.688   43.574  251.688   43.574   0.0000   0.0000   16.066   1.3972  ?   ?       ?      ? 
1 1 1   -9   52    9 o   30.441   0.9858  901.651   58.250  901.651   58.250   0.0000   0.0000   30.441   0.9858  ?   ?       ?      ? 
1 1 1   -9   52   10 o   8.2741   2.6586   66.265   48.441   66.265   48.441   0.0000   0.0000   8.2741   2.6586  ?   ?       ?      ? 
1 1 1   -9   52   11 o   14.949   1.6706  218.779   48.478  218.779   48.478   0.0000   0.0000   14.949   1.6706  ?   ?       ?      ? 
1 1 1   -9   52   12 o   13.705   1.8884  184.492   50.241  184.492   50.241   0.0000   0.0000   13.705   1.8884  ?   ?       ?      ? 
1 1 1   -9   52   13 o   23.219   1.1343  525.832   51.125  525.832   51.125   0.0000   0.0000   23.219   1.1343  ?   ?       ?      ? 
1 1 1   -9   52   14 o   49.861   0.9385  2422.75   90.837  2422.75   90.837   0.0000   0.0000   49.861   0.9385  ?   ?       ?      ? 
1 1 1   -9   52   15 o   25.051   1.2145  613.823   59.057  613.823   59.057   0.0000   0.0000   25.051   1.2145  ?   ?       ?      ? 
1 1 1   -9   52   16 f   21.949   1.4858  473.944   63.308  473.944   63.308   0.0000   0.0000   21.949   1.4858  ?   ?       ?      ? 
1 1 1   -9   52   17 o   6.9226   2.8826   15.643   64.169   15.643   64.169   0.0000   0.0000   6.9226   2.8826  ?   ?       ?      ? 
1 1 1   -9   52   18 o   9.5779   1.9566   97.042   38.283   88.547   59.473  103.053   50.026   9.2734   2.9423   9.8823   2.5800 -0.6089468 3.913236 
1 1 1   -9   52   19 o   10.688   1.9653  123.107   41.031  114.259   62.518  129.803   54.383   10.324   2.9639   11.052   2.5816 -0.7275915 3.930536 
1 1 1   -9   52   20 o   6.3217   1.9355  -2.6316   43.563   15.215   66.072 -16.3560   57.941   6.9017   2.9030   5.7416   2.5608 1.160034 3.871000 
1 1 1   -9   52   21 o   19.152   1.5679  393.855   54.051  314.892   89.433  439.296   67.843   17.349   2.6555   20.955   1.6678 -3.605808 3.135802 
1 1 1   -9   53    1 o   23.519   1.4860  545.568   50.641  547.369   55.572  536.752  122.974   23.710   1.2074   23.327   2.7157 0.3821850 2.972015 
1 1 1   -9   53    2 o   40.841   0.9770  1583.84   59.406  1561.10   65.357  1691.92  142.499   40.074   0.8402   41.609   1.7642 -1.535316 1.954083 
1 1 1   -9   53    3 o   22.415   1.4564  492.079   47.760  491.983   52.492  492.542  115.106   22.478   1.2030   22.353   2.6528 0.1252499 2.912810 
1 1 1   -9   53    4 o   31.220   0.8739  947.633   52.960  947.633   52.960   0.0000   0.0000   31.220   0.8739  ?   ?       ?      ? 
1 1 1   -9   53    5 o   25.309   1.0127  623.203   49.754  623.203   49.754   0.0000   0.0000   25.309   1.0127  ?   ?       ?      ? 
1 1 1   -9   53    6 o   31.587   0.8500  970.135   52.122  970.135   52.122   0.0000   0.0000   31.587   0.8500  ?   ?       ?      ? 
1 1 1   -9   53    7 o   31.999   0.8504  995.701   52.825  995.701   52.825   0.0000   0.0000   31.999   0.8504  ?   ?       ?      ? 
1 1 1   -9   53    8 o   34.421   0.7657  1151.83   51.165  1151.83   51.165   0.0000   0.0000   34.421   0.7657  ?   ?       ?      ? 
1 1 1   -9   53    9 o   18.938   1.3942  350.120   51.251  350.120   51.251   0.0000   0.0000   18.938   1.3942  ?   ?       ?      ? 
1 1 1   -9   53   10 o   16.825   1.6114  277.051   52.629  277.051   52.629   0.0000   0.0000   16.825   1.6114  ?   ?       ?      ? 
1 1 1   -9   53   11 o   7.1977   2.6560   41.220   48.989   41.220   48.989   0.0000   0.0000   7.1977   2.6560  ?   ?       ?      ? 
1 1 1   -9   53   12 o   6.9851   2.6397   36.083   48.980   36.083   48.980   0.0000   0.0000   6.9851   2.6397  ?   ?       ?      ? 
1 1 1   -9   53   13 o   25.946   1.1366  657.319   57.246  657.319   57.246   0.0000   0.0000   25.946   1.1366  ?   ?       ?      ? 
1 1 1   -9   53   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   53   15 o   25.154   1.3315  620.771   65.015  620.771   65.015   0.0000   0.0000   25.154   1.3315  ?   ?       ?      ? 
1 1 1   -9   53   16 o   5.1273   2.3986 -54.4549   59.490 -54.4549   59.490   0.0000   0.0000   5.1273   2.3986  ?   ?       ?      ? 
1 1 1   -9   53   17 o   17.532   1.9208  306.287   65.367  306.287   65.367   0.0000   0.0000   17.532   1.9208  ?   ?       ?      ? 
1 1 1   -9   53   18 o   21.863   1.5753  473.471   66.854  473.471   66.854   0.0000   0.0000   21.863   1.5753  ?   ?       ?      ? 
1 1 1   -9   53   19 o   16.622   1.3989  280.662   44.107  263.038   68.812  292.953   57.464   16.106   2.2010   17.139   1.7272 -1.032724 2.797780 
1 1 1   -9   53   20 o   7.8879   2.1996   34.604   47.879   85.108   83.311   9.6969   58.506   9.3812   3.4632   6.3947   2.7129 2.986547 4.399246 
1 1 1   -9   53   21 o   8.2387   3.0438   63.956   64.383   0.0000   0.0000   63.956   64.383  ?   ?    8.2387   3.0438      ?      ? 
1 1 1   -9   54    1 o   45.510   0.8783  1995.11   62.461  1979.48   69.863  2057.35  139.434   45.124   0.7976   45.896   1.5651 -0.7722588 1.756579 
1 1 1   -9   54    2 o   20.054   1.5326  379.851   47.425  370.404   52.636  420.603  109.323   19.487   1.3915   20.620   2.7312 -1.133471 3.065205 
1 1 1   -9   54    3 o   25.469   1.0942  631.553   54.096  631.553   54.096   0.0000   0.0000   25.469   1.0942  ?   ?       ?      ? 
1 1 1   -9   54    4 o   13.400   1.8608  175.896   48.405  175.896   48.405   0.0000   0.0000   13.400   1.8608  ?   ?       ?      ? 
1 1 1   -9   54    5 o   52.952   0.7604  2725.75   78.162  2725.75   78.162   0.0000   0.0000   52.952   0.7604  ?   ?       ?      ? 
1 1 1   -9   54    6 o   41.312   0.7432  1659.10   59.596  1659.10   59.596   0.0000   0.0000   41.312   0.7432  ?   ?       ?      ? 
1 1 1   -9   54    7 o   76.055   0.8585  5626.84  126.753  5626.84  126.753   0.0000   0.0000   76.055   0.8585  ?   ?       ?      ? 
1 1 1   -9   54    8 o   16.005   1.3535  250.062   42.051  250.062   42.051   0.0000   0.0000   16.005   1.3535  ?   ?       ?      ? 
1 1 1   -9   54    9 o   7.0017   2.6730   34.418   50.548   34.418   50.548   0.0000   0.0000   7.0017   2.6730  ?   ?       ?      ? 
1 1 1   -9   54   10 o   26.894   1.0765  705.009   56.199  705.009   56.199   0.0000   0.0000   26.894   1.0765  ?   ?       ?      ? 
1 1 1   -9   54   11 o   5.7043   2.4285   1.4734   47.173   1.4734   47.173   0.0000   0.0000   5.7043   2.4285  ?   ?       ?      ? 
1 1 1   -9   54   12 o   12.164   2.2232  151.319   50.560  151.319   50.560   0.0000   0.0000   12.164   2.2232  ?   ?       ?      ? 
1 1 1   -9   54   13 o   14.488   1.8789  207.624   52.839  207.624   52.839   0.0000   0.0000   14.488   1.8789  ?   ?       ?      ? 
1 1 1   -9   54   14 o   23.321   1.3405  533.724   60.685  533.724   60.685   0.0000   0.0000   23.321   1.3405  ?   ?       ?      ? 
1 1 1   -9   54   15 o   29.113   1.1949  830.025   67.525  830.025   67.525   0.0000   0.0000   29.113   1.1949  ?   ?       ?      ? 
1 1 1   -9   54   16 o   9.5858   3.0513   94.760   63.924   94.760   63.924   0.0000   0.0000   9.5858   3.0513  ?   ?       ?      ? 
1 1 1   -9   54   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   54   18 o   12.718   2.5978  171.702   61.965  171.702   61.965   0.0000   0.0000   12.718   2.5978  ?   ?       ?      ? 
1 1 1   -9   54   19 o   12.226   1.8999  159.744   43.453  168.857   66.961  153.115   57.112   12.474   2.8302   11.978   2.5354 0.4968300 3.799781 
1 1 1   -9   54   20 o   8.9495   2.9961   84.251   61.252   0.0000   0.0000   84.251   61.252  ?   ?    8.9495   2.9961      ?      ? 
1 1 1   -9   55    1 o   12.458   2.2322  181.219   48.199  201.854   53.055   83.719  115.325   14.343   1.9056   10.573   4.0373 3.769292 4.464373 
1 1 1   -9   55    2 o   27.521   1.2595  707.244   51.210  689.240   56.095  797.326  125.478   26.601   1.0863   28.441   2.2728 -1.839808 2.519076 
1 1 1   -9   55    3 o   35.655   0.8811  1236.83   60.981  1236.83   60.981   0.0000   0.0000   35.655   0.8811  ?   ?       ?      ? 
1 1 1   -9   55    4 o   18.056   1.4682  318.546   51.462  318.546   51.462   0.0000   0.0000   18.056   1.4682  ?   ?       ?      ? 
1 1 1   -9   55    5 o   5.7190   2.4443  -0.5217   48.124  -0.5217   48.124   0.0000   0.0000   5.7190   2.4443  ?   ?       ?      ? 
1 1 1   -9   55    6 o   19.190   1.2993  359.378   48.398  359.378   48.398   0.0000   0.0000   19.190   1.2993  ?   ?       ?      ? 
1 1 1   -9   55    7 o   10.444   2.2783  111.789   44.890  111.789   44.890   0.0000   0.0000   10.444   2.2783  ?   ?       ?      ? 
1 1 1   -9   55    8 o   7.5653   2.5395   53.660   44.007   53.660   44.007   0.0000   0.0000   7.5653   2.5395  ?   ?       ?      ? 
1 1 1   -9   55    9 o   5.6501   2.4663  -8.6788   51.074  -8.6788   51.074   0.0000   0.0000   5.6501   2.4663  ?   ?       ?      ? 
1 1 1   -9   55   10 o   39.424   0.8878  1513.93   67.942  1513.93   67.942   0.0000   0.0000   39.424   0.8878  ?   ?       ?      ? 
1 1 1   -9   55   11 o   23.954   1.1460  560.597   53.286  560.597   53.286   0.0000   0.0000   23.954   1.1460  ?   ?       ?      ? 
1 1 1   -9   55   12 f   17.587   1.4966  303.995   51.094  303.995   51.094   0.0000   0.0000   17.587   1.4966  ?   ?       ?      ? 
1 1 1   -9   55   13 o   19.365   1.3870  368.334   52.138  368.334   52.138   0.0000   0.0000   19.365   1.3870  ?   ?       ?      ? 
1 1 1   -9   55   14 o   43.218   0.9546  1823.34   80.083  1823.34   80.083   0.0000   0.0000   43.218   0.9546  ?   ?       ?      ? 
1 1 1   -9   55   15 o   16.317   2.0618  266.302   65.307  266.302   65.307   0.0000   0.0000   16.317   2.0618  ?   ?       ?      ? 
1 1 1   -9   55   16 o   21.540   1.4944  458.466   62.484  458.466   62.484   0.0000   0.0000   21.540   1.4944  ?   ?       ?      ? 
1 1 1   -9   55   17 o   9.3678   3.0525   91.197   63.716   91.197   63.716   0.0000   0.0000   9.3678   3.0525  ?   ?       ?      ? 
1 1 1   -9   55   18 o   8.6921   3.1175   72.945   66.843   72.945   66.843   0.0000   0.0000   8.6921   3.1175  ?   ?       ?      ? 
1 1 1   -9   55   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   56    1 f   16.249   1.9262  241.180   48.677  223.145   54.272  315.375  110.079   15.075   1.8546   17.423   3.3767 -2.348092 3.852496 
1 1 1   -9   56    2 o   14.325   2.1859  194.423   46.726  186.675   51.117  233.792  115.222   13.783   1.9105   14.867   3.9321 -1.083547 4.371725 
1 1 1   -9   56    3 f   38.190   0.8427  1419.03   62.469  1419.03   62.469   0.0000   0.0000   38.190   0.8427  ?   ?       ?      ? 
1 1 1   -9   56    4 o   67.954   0.8391  4492.98  110.686  4492.98  110.686   0.0000   0.0000   67.954   0.8391  ?   ?       ?      ? 
1 1 1   -9   56    5 o   40.641   0.9523  1608.38   75.131  1608.38   75.131   0.0000   0.0000   40.641   0.9523  ?   ?       ?      ? 
1 1 1   -9   56    6 o   22.944   1.1520  513.506   51.305  513.506   51.305   0.0000   0.0000   22.944   1.1520  ?   ?       ?      ? 
1 1 1   -9   56    7 o   25.904   0.9957  653.948   50.068  653.948   50.068   0.0000   0.0000   25.904   0.9957  ?   ?       ?      ? 
1 1 1   -9   56    8 o   16.269   1.4231  259.245   44.942  259.245   44.942   0.0000   0.0000   16.269   1.4231  ?   ?       ?      ? 
1 1 1   -9   56    9 o   13.831   1.9102  189.010   51.285  189.010   51.285   0.0000   0.0000   13.831   1.9102  ?   ?       ?      ? 
1 1 1   -9   56   10 o   26.653   1.1138  694.037   57.628  694.037   57.628   0.0000   0.0000   26.653   1.1138  ?   ?       ?      ? 
1 1 1   -9   56   11 o   13.014   2.0077  168.309   50.720  168.309   50.720   0.0000   0.0000   13.014   2.0077  ?   ?       ?      ? 
1 1 1   -9   56   12 o   12.876   1.9986  164.926   49.954  164.926   49.954   0.0000   0.0000   12.876   1.9986  ?   ?       ?      ? 
1 1 1   -9   56   13 o   4.8150   2.2619 -53.2260   53.855 -53.2260   53.855   0.0000   0.0000   4.8150   2.2619  ?   ?       ?      ? 
1 1 1   -9   56   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   56   15 o   9.1981   2.9867   86.937   61.020   86.937   61.020   0.0000   0.0000   9.1981   2.9867  ?   ?       ?      ? 
1 1 1   -9   56   16 o   9.4385   3.0839   92.591   65.019   92.591   65.019   0.0000   0.0000   9.4385   3.0839  ?   ?       ?      ? 
1 1 1   -9   56   17 o   7.1764   2.8521   34.270   59.417   34.270   59.417   0.0000   0.0000   7.1764   2.8521  ?   ?       ?      ? 
1 1 1   -9   56   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   57    1 o   40.899   0.9950  1622.28   61.853  1613.55   68.623  1660.06  142.804   40.710   0.8684   41.087   1.7905 -0.3769073 1.989953 
1 1 1   -9   57    2 f   25.762   1.2085  696.636   48.040  729.978   54.354  577.625  102.691   27.366   1.0232   24.159   2.1897 3.206839 2.416986 
1 1 1   -9   57    3 o   10.443   2.5674  112.950   51.680  112.950   51.680   0.0000   0.0000   10.443   2.5674  ?   ?       ?      ? 
1 1 1   -9   57    4 f   28.407   0.9820  786.493   54.149  786.493   54.149   0.0000   0.0000   28.407   0.9820  ?   ?       ?      ? 
1 1 1   -9   57    5 o   22.715   1.1795  503.905   52.009  503.905   52.009   0.0000   0.0000   22.715   1.1795  ?   ?       ?      ? 
1 1 1   -9   57    6 o   22.830   1.0705  508.651   47.442  508.651   47.442   0.0000   0.0000   22.830   1.0705  ?   ?       ?      ? 
1 1 1   -9   57    7 o   21.990   1.1725  472.570   50.052  472.570   50.052   0.0000   0.0000   21.990   1.1725  ?   ?       ?      ? 
1 1 1   -9   57    8 o   17.521   1.3449  300.823   45.742  300.823   45.742   0.0000   0.0000   17.521   1.3449  ?   ?       ?      ? 
1 1 1   -9   57    9 f   20.780   1.3856  423.771   55.892  423.771   55.892   0.0000   0.0000   20.780   1.3856  ?   ?       ?      ? 
1 1 1   -9   57   10 o   13.494   2.0407  181.286   53.454  181.286   53.454   0.0000   0.0000   13.494   2.0407  ?   ?       ?      ? 
1 1 1   -9   57   11 o   6.4970   2.6730   16.606   54.261   16.606   54.261   0.0000   0.0000   6.4970   2.6730  ?   ?       ?      ? 
1 1 1   -9   57   12 o   5.2824   2.4007 -28.7190   53.721 -28.7190   53.721   0.0000   0.0000   5.2824   2.4007  ?   ?       ?      ? 
1 1 1   -9   57   13 o   22.779   1.2153  509.187   53.740  509.187   53.740   0.0000   0.0000   22.779   1.2153  ?   ?       ?      ? 
1 1 1   -9   57   14 o   7.5331   2.7998   48.067   54.634   48.067   54.634   0.0000   0.0000   7.5331   2.7998  ?   ?       ?      ? 
1 1 1   -9   57   15 f   17.334   1.8444  300.521   62.062  300.521   62.062   0.0000   0.0000   17.334   1.8444  ?   ?       ?      ? 
1 1 1   -9   57   16 o   14.615   2.3144  218.208   65.660  218.208   65.660   0.0000   0.0000   14.615   2.3144  ?   ?       ?      ? 
1 1 1   -9   57   17 o   18.097   1.9525  331.303   68.590  331.303   68.590   0.0000   0.0000   18.097   1.9525  ?   ?       ?      ? 
1 1 1   -9   57   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   58    1 f   15.523   2.0490  259.803   49.462  269.350   56.106  226.498  104.790   16.532   1.7483   14.513   3.7064 2.019051 4.098060 
1 1 1   -9   58    2 o   15.880   1.7886  248.694   55.136  248.694   55.136   0.0000   0.0000   15.880   1.7886  ?   ?       ?      ? 
1 1 1   -9   58    3 o   41.963   0.8164  1714.89   66.499  1714.89   66.499   0.0000   0.0000   41.963   0.8164  ?   ?       ?      ? 
1 1 1   -9   58    4 o   29.080   1.0063  825.065   56.805  825.065   56.805   0.0000   0.0000   29.080   1.0063  ?   ?       ?      ? 
1 1 1   -9   58    5 o   28.855   1.0183  812.577   57.040  812.577   57.040   0.0000   0.0000   28.855   1.0183  ?   ?       ?      ? 
1 1 1   -9   58    6 o   11.397   2.3197  134.223   49.575  134.223   49.575   0.0000   0.0000   11.397   2.3197  ?   ?       ?      ? 
1 1 1   -9   58    7 o   6.1464   2.5230   14.764   48.207   14.764   48.207   0.0000   0.0000   6.1464   2.5230  ?   ?       ?      ? 
1 1 1   -9   58    8 o   18.180   1.3302  324.315   46.944  324.315   46.944   0.0000   0.0000   18.180   1.3302  ?   ?       ?      ? 
1 1 1   -9   58    9 o   8.0697   2.7311   62.579   50.900   62.579   50.900   0.0000   0.0000   8.0697   2.7311  ?   ?       ?      ? 
1 1 1   -9   58   10 o   5.0280   2.3268 -41.1432   53.659 -41.1432   53.659   0.0000   0.0000   5.0280   2.3268  ?   ?       ?      ? 
1 1 1   -9   58   11 o   7.5901   2.7978   48.942   54.337   48.942   54.337   0.0000   0.0000   7.5901   2.7978  ?   ?       ?      ? 
1 1 1   -9   58   12 f   21.199   1.3411  442.239   55.190  442.239   55.190   0.0000   0.0000   21.199   1.3411  ?   ?       ?      ? 
1 1 1   -9   58   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   58   14 o   6.8790   2.7069   32.071   53.034   32.071   53.034   0.0000   0.0000   6.8790   2.7069  ?   ?       ?      ? 
1 1 1   -9   58   15 o   5.1648   2.4448 -67.6789   65.119 -67.6789   65.119   0.0000   0.0000   5.1648   2.4448  ?   ?       ?      ? 
1 1 1   -9   58   16 o   7.8141   3.0095   50.134   64.441   50.134   64.441   0.0000   0.0000   7.8141   3.0095  ?   ?       ?      ? 
1 1 1   -9   58   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   59    1 o   13.963   2.2950  237.252   50.152  257.075   54.848  136.142  123.874   16.128   1.7519   11.798   4.2426 4.329679 4.590055 
1 1 1   -9   59    2 o   20.624   1.4313  417.851   57.302  417.851   57.302   0.0000   0.0000   20.624   1.4313  ?   ?       ?      ? 
1 1 1   -9   59    3 o   8.1453   2.7936   62.906   53.263   62.906   53.263   0.0000   0.0000   8.1453   2.7936  ?   ?       ?      ? 
1 1 1   -9   59    4 o   41.104   0.8644  1647.32   68.971  1647.32   68.971   0.0000   0.0000   41.104   0.8644  ?   ?       ?      ? 
1 1 1   -9   59    5 o   49.090   0.8153  2348.57   77.691  2348.57   77.691   0.0000   0.0000   49.090   0.8153  ?   ?       ?      ? 
1 1 1   -9   59    6 o   4.8318   2.2450 -42.1085   50.719 -42.1085   50.719   0.0000   0.0000   4.8318   2.2450  ?   ?       ?      ? 
1 1 1   -9   59    7 o   4.7483   2.2082 -41.6292   49.240 -41.6292   49.240   0.0000   0.0000   4.7483   2.2082  ?   ?       ?      ? 
1 1 1   -9   59    8 o   16.473   1.4592  267.003   46.661  267.003   46.661   0.0000   0.0000   16.473   1.4592  ?   ?       ?      ? 
1 1 1   -9   59    9 o   19.991   1.3117  392.516   50.903  392.516   50.903   0.0000   0.0000   19.991   1.3117  ?   ?       ?      ? 
1 1 1   -9   59   10 o   9.8699   2.7523  102.976   54.718  102.976   54.718   0.0000   0.0000   9.8699   2.7523  ?   ?       ?      ? 
1 1 1   -9   59   11 o   8.6184   2.8932   74.038   57.118   74.038   57.118   0.0000   0.0000   8.6184   2.8932  ?   ?       ?      ? 
1 1 1   -9   59   12 o   19.146   1.5162  362.837   56.352  362.837   56.352   0.0000   0.0000   19.146   1.5162  ?   ?       ?      ? 
1 1 1   -9   59   13 o   22.060   1.4008  480.888   59.983  480.888   59.983   0.0000   0.0000   22.060   1.4008  ?   ?       ?      ? 
1 1 1   -9   59   14 o   7.4379   2.8238   45.510   56.215   45.510   56.215   0.0000   0.0000   7.4379   2.8238  ?   ?       ?      ? 
1 1 1   -9   59   15 o   7.1397   2.8743   32.298   61.151   32.298   61.151   0.0000   0.0000   7.1397   2.8743  ?   ?       ?      ? 
1 1 1   -9   59   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   60    1 o   8.5417   2.3346   47.999   48.758   37.336   56.165   80.616   98.234   7.2568   2.8055   9.8266   3.7323 -2.569812 4.669147 
1 1 1   -9   60    2 o   13.120   2.1699  171.999   55.263  171.999   55.263   0.0000   0.0000   13.120   2.1699  ?   ?       ?      ? 
1 1 1   -9   60    3 o   42.872   0.8616  1792.30   71.709  1792.30   71.709   0.0000   0.0000   42.872   0.8616  ?   ?       ?      ? 
1 1 1   -9   60    4 o   10.871   2.6868  124.472   56.374  124.472   56.374   0.0000   0.0000   10.871   2.6868  ?   ?       ?      ? 
1 1 1   -9   60    5 o   23.706   1.2500  550.975   57.522  550.975   57.522   0.0000   0.0000   23.706   1.2500  ?   ?       ?      ? 
1 1 1   -9   60    6 o   49.894   0.8018  2426.71   77.662  2426.71   77.662   0.0000   0.0000   49.894   0.8018  ?   ?       ?      ? 
1 1 1   -9   60    7 o   8.7054   2.6283   78.197   48.144   78.197   48.144   0.0000   0.0000   8.7054   2.6283  ?   ?       ?      ? 
1 1 1   -9   60    8 o   23.086   1.0551  521.613   47.284  521.613   47.284   0.0000   0.0000   23.086   1.0551  ?   ?       ?      ? 
1 1 1   -9   60    9 o   6.1736   2.6255   5.5780   55.026   5.5780   55.026   0.0000   0.0000   6.1736   2.6255  ?   ?       ?      ? 
1 1 1   -9   60   10 o   8.3275   2.8714   67.559   56.311   67.559   56.311   0.0000   0.0000   8.3275   2.8714  ?   ?       ?      ? 
1 1 1   -9   60   11 o   8.3346   2.8391   68.772   55.007   68.772   55.007   0.0000   0.0000   8.3346   2.8391  ?   ?       ?      ? 
1 1 1   -9   60   12 o   6.2766   2.6631   8.1306   56.388   8.1306   56.388   0.0000   0.0000   6.2766   2.6631  ?   ?       ?      ? 
1 1 1   -9   60   13 o   17.354   1.6212  300.228   54.614  300.228   54.614   0.0000   0.0000   17.354   1.6212  ?   ?       ?      ? 
1 1 1   -9   60   14 o   5.0652   2.3630 -45.8283   57.097 -45.8283   57.097   0.0000   0.0000   5.0652   2.3630  ?   ?       ?      ? 
1 1 1   -9   60   15 o   6.8110   3.2117 -87.5048  110.435 -87.5048  110.435   0.0000   0.0000   6.8110   3.2117  ?   ?       ?      ? 
1 1 1   -9   61    1 o   6.1143   2.6183   2.0713   55.411   2.0713   55.411   0.0000   0.0000   6.1143   2.6183  ?   ?       ?      ? 
1 1 1   -9   61    2 o   7.3267   2.7806   41.766   54.495   41.766   54.495   0.0000   0.0000   7.3267   2.7806  ?   ?       ?      ? 
1 1 1   -9   61    3 o   21.539   1.3547  456.245   56.641  456.245   56.641   0.0000   0.0000   21.539   1.3547  ?   ?       ?      ? 
1 1 1   -9   61    4 o   19.072   1.5484  359.270   57.326  359.270   57.326   0.0000   0.0000   19.072   1.5484  ?   ?       ?      ? 
1 1 1   -9   61    5 f   19.207   1.4081  363.440   52.502  363.440   52.502   0.0000   0.0000   19.207   1.4081  ?   ?       ?      ? 
1 1 1   -9   61    6 o   23.652   1.2381  549.469   56.843  549.469   56.843   0.0000   0.0000   23.652   1.2381  ?   ?       ?      ? 
1 1 1   -9   61    7 o   5.3371   2.3872 -17.6220   50.741 -17.6220   50.741   0.0000   0.0000   5.3371   2.3872  ?   ?       ?      ? 
1 1 1   -9   61    8 o   15.033   1.6943  224.688   49.444  224.688   49.444   0.0000   0.0000   15.033   1.6943  ?   ?       ?      ? 
1 1 1   -9   61    9 o   8.9939   2.8867   83.777   57.123   83.777   57.123   0.0000   0.0000   8.9939   2.8867  ?   ?       ?      ? 
1 1 1   -9   61   10 o   20.674   1.4141  422.568   56.752  422.568   56.752   0.0000   0.0000   20.674   1.4141  ?   ?       ?      ? 
1 1 1   -9   61   11 o   11.644   2.7193  146.227   60.353  146.227   60.353   0.0000   0.0000   11.644   2.7193  ?   ?       ?      ? 
1 1 1   -9   61   12 o   17.285   1.6741  298.686   56.170  298.686   56.170   0.0000   0.0000   17.285   1.6741  ?   ?       ?      ? 
1 1 1   -9   61   13 o   18.208   1.7596  333.556   62.194  333.556   62.194   0.0000   0.0000   18.208   1.7596  ?   ?       ?      ? 
1 1 1   -9   62    1 o   8.7922   2.8430   79.021   55.328   79.021   55.328   0.0000   0.0000   8.7922   2.8430  ?   ?       ?      ? 
1 1 1   -9   62    2 o   10.478   2.7085  117.077   55.491  117.077   55.491   0.0000   0.0000   10.478   2.7085  ?   ?       ?      ? 
1 1 1   -9   62    3 o   24.350   1.2091  582.447   57.151  582.447   57.151   0.0000   0.0000   24.350   1.2091  ?   ?       ?      ? 
1 1 1   -9   62    4 o   24.275   1.2021  578.835   56.646  578.835   56.646   0.0000   0.0000   24.275   1.2021  ?   ?       ?      ? 
1 1 1   -9   62    5 o   6.3426   2.6311   14.943   53.169   14.943   53.169   0.0000   0.0000   6.3426   2.6311  ?   ?       ?      ? 
1 1 1   -9   62    6 o   20.770   1.4234  426.113   57.388  426.113   57.388   0.0000   0.0000   20.770   1.4234  ?   ?       ?      ? 
1 1 1   -9   62    7 o   20.816   1.3530  427.503   54.670  427.503   54.670   0.0000   0.0000   20.816   1.3530  ?   ?       ?      ? 
1 1 1   -9   62    8 o   10.152   2.5150  109.881   49.309  109.881   49.309   0.0000   0.0000   10.152   2.5150  ?   ?       ?      ? 
1 1 1   -9   62    9 o   13.300   2.0346  178.677   52.528  178.677   52.528   0.0000   0.0000   13.300   2.0346  ?   ?       ?      ? 
1 1 1   -9   62   10 o   6.5427   2.7574   12.883   59.805   12.883   59.805   0.0000   0.0000   6.5427   2.7574  ?   ?       ?      ? 
1 1 1   -9   62   11 o   5.8729   2.5993 -10.4666   58.566 -10.4666   58.566   0.0000   0.0000   5.8729   2.5993  ?   ?       ?      ? 
1 1 1   -9   62   12 o   16.162   1.9842  265.617   62.249  265.617   62.249   0.0000   0.0000   16.162   1.9842  ?   ?       ?      ? 
1 1 1   -9   63    1 o   11.744   2.7317  148.036   61.101  148.036   61.101   0.0000   0.0000   11.744   2.7317  ?   ?       ?      ? 
1 1 1   -9   63    2 o   15.572   1.9890  243.837   60.124  243.837   60.124   0.0000   0.0000   15.572   1.9890  ?   ?       ?      ? 
1 1 1   -9   63    3 o   22.032   1.4257  479.901   60.973  479.901   60.973   0.0000   0.0000   22.032   1.4257  ?   ?       ?      ? 
1 1 1   -9   63    4 o   28.248   1.1376  783.771   62.377  783.771   62.377   0.0000   0.0000   28.248   1.1376  ?   ?       ?      ? 
1 1 1   -9   63    5 o   10.286   2.7551  113.861   56.113  113.861   56.113   0.0000   0.0000   10.286   2.7551  ?   ?       ?      ? 
1 1 1   -9   63    6 o   6.0497   2.5861   4.5018   53.886   4.5018   53.886   0.0000   0.0000   6.0497   2.5861  ?   ?       ?      ? 
1 1 1   -9   63    7 o   8.2125   2.7735   67.812   52.493   67.812   52.493   0.0000   0.0000   8.2125   2.7735  ?   ?       ?      ? 
1 1 1   -9   63    8 o   9.0181   2.6203   86.843   48.598   86.843   48.598   0.0000   0.0000   9.0181   2.6203  ?   ?       ?      ? 
1 1 1   -9   63    9 o   14.627   2.0185  217.158   57.313  217.158   57.313   0.0000   0.0000   14.627   2.0185  ?   ?       ?      ? 
1 1 1   -9   63   10 o   8.9358   2.9422   84.565   59.138   84.565   59.138   0.0000   0.0000   8.9358   2.9422  ?   ?       ?      ? 
1 1 1   -9   64    1 o   24.658   1.3597  601.299   65.083  601.299   65.083   0.0000   0.0000   24.658   1.3597  ?   ?       ?      ? 
1 1 1   -9   64    2 o   25.619   1.2432  647.094   61.825  647.094   61.825   0.0000   0.0000   25.619   1.2432  ?   ?       ?      ? 
1 1 1   -9   64    3 o   18.379   1.6769  337.340   59.827  337.340   59.827   0.0000   0.0000   18.379   1.6769  ?   ?       ?      ? 
1 1 1   -9   64    4 o   5.2066   2.4692 -70.9398   67.027 -70.9398   67.027   0.0000   0.0000   5.2066   2.4692  ?   ?       ?      ? 
1 1 1   -9   64    5 o   12.273   2.4941  160.639   57.395  160.639   57.395   0.0000   0.0000   12.273   2.4941  ?   ?       ?      ? 
1 1 1   -9   64    6 o   17.005   1.6506  289.146   54.484  289.146   54.484   0.0000   0.0000   17.005   1.6506  ?   ?       ?      ? 
1 1 1   -9   64    7 o   15.900   1.7125  253.725   52.857  253.725   52.857   0.0000   0.0000   15.900   1.7125  ?   ?       ?      ? 
1 1 1   -9   64    8 o   10.377   2.6283  117.309   53.001  117.309   53.001   0.0000   0.0000   10.377   2.6283  ?   ?       ?      ? 
1 1 1   -9   64    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -9   65    1 o   7.9359   2.9181   58.600   59.060   58.600   59.060   0.0000   0.0000   7.9359   2.9181  ?   ?       ?      ? 
1 1 1   -9   65    2 o   5.6578   2.5497 -20.8690   59.096 -20.8690   59.096   0.0000   0.0000   5.6578   2.5497  ?   ?       ?      ? 
1 1 1   -9   65    3 f   11.763   2.6123  149.945   58.097  149.945   58.097   0.0000   0.0000   11.763   2.6123  ?   ?       ?      ? 
1 1 1   -9   65    4 o   7.9444   2.8981   59.636   58.090   59.636   58.090   0.0000   0.0000   7.9444   2.8981  ?   ?       ?      ? 
1 1 1   -9   65    5 o   5.9802   2.5827   2.1257   54.789   2.1257   54.789   0.0000   0.0000   5.9802   2.5827  ?   ?       ?      ? 
1 1 1   -9   65    6 o   19.681   1.4654  385.827   55.983  385.827   55.983   0.0000   0.0000   19.681   1.4654  ?   ?       ?      ? 
1 1 1   -8    0    1 o  227.490   1.8329 50270.13  809.140 51050.65  1149.01 49502.29  1139.65  229.243   2.5828  225.737   2.6015 -0.000000 0.000000 
1 1 1   -8    0    2 o  286.341   2.5557 79696.55  1419.85 79945.06  1992.96 79440.42  2023.32  286.798   3.5811  285.884   3.6473 -0.000000 0.000000 
1 1 1   -8    0    3 o   88.230   0.9650  7554.91  165.092  7348.40  228.925  7778.69  238.309   86.974   1.3567   89.486   1.3726 -0.000000 0.000000 
1 1 1   -8    0    4 o   93.106   1.0089  8413.07  182.103  8230.76  251.724  8613.23  263.763   92.049   1.4095   94.163   1.4438 -0.000000 0.000000 
1 1 1   -8    0    5 o   88.803   0.9861  7659.02  169.874  7849.75  242.019  7473.81  238.497   89.894   1.3877   87.713   1.4015 -0.000000 0.000000 
1 1 1   -8    0    6 o   49.574   0.6457  2387.02   62.070  2360.53   86.445  2415.21   89.179   49.290   0.9042   49.857   0.9222 -0.000000 0.000000 
1 1 1   -8    0    7 o  281.045   2.3365 76769.14  1238.23 76899.24  1575.74 76559.12  2002.07  281.385   2.8855  280.705   3.6756 -0.000000 0.000000 
1 1 1   -8    0    8 o   44.854   2.6971  2394.74   88.587  2438.22   90.992  1604.67  387.874   50.094   0.9365   39.614   5.3123 -0.000000 0.000000 
1 1 1   -8    0    9 o  568.052   3.1217 313099.69  3436.75 319435.31  5018.19 307503.19  4716.42  573.449   4.5087  562.654   4.3188 -0.000000 0.000000 
1 1 1   -8    0   10 o  144.806   2.6408 20357.83  740.385 19327.36  1019.84 21506.16  1076.59  140.932   3.7338  148.680   3.7355 -0.000000 0.000000 
1 1 1   -8    0   11 o  372.890   2.8046 135090.30  2029.43 135624.09  2857.36 134546.91  2882.89  373.636   3.9406  372.144   3.9918 -0.000000 0.000000 
1 1 1   -8    0   12 o  358.345   2.8128 124732.20  1955.83 126629.10  2791.12 122902.10  2741.48  361.021   3.9838  355.668   3.9719 -0.000000 0.000000 
1 1 1   -8    0   13 o  157.359   2.8131 24086.98  857.822 23663.26  1196.22 24535.57  1230.81  155.934   3.9576  158.784   3.9989 -0.000000 0.000000 
1 1 1   -8    0   14 o  263.721   2.7903 67575.34  1427.47 69194.88  2039.61 66020.42  1998.52  266.820   3.9398  260.622   3.9524 -0.000000 0.000000 
1 1 1   -8    0   15 o  167.280   2.2960 27159.69  608.536 27123.44  685.279 27294.88  1323.42  167.104   2.1134  167.457   4.0767 -0.000000 0.000000 
1 1 1   -8    0   16 f  239.054   2.3499 55722.42  942.144 55894.60  1087.86 55205.77  1884.44  239.887   2.3367  238.222   4.0778 -0.000000 0.000000 
1 1 1   -8    0   17 o  303.293   2.4613 89245.49  1286.38 89013.97  1504.92 89873.57  2478.66  302.690   2.5616  303.897   4.2035 -0.000000 0.000000 
1 1 1   -8    0   18 o   25.723   5.1603  797.534   85.732  799.410   87.130  740.500  480.477   28.564   1.5825   22.882   10.199 -0.000000 0.000000 
1 1 1   -8    0   19 f   71.966   2.9181  5438.78  197.192  5494.29  204.502  4703.68  744.187   75.187   1.4023   68.745   5.6652 -0.000000 0.000000 
1 1 1   -8    0   20 o  214.542   2.4838 45033.84  878.632 45221.74  1006.94 44434.23  1798.73  215.679   2.4058  213.404   4.3461 -0.000000 0.000000 
1 1 1   -8    0   21 o  116.573   2.9557 13756.43  408.137 13884.52  432.631 12720.34  1230.43  119.510   1.8659  113.635   5.6092 -0.000000 0.000000 
1 1 1   -8    0   22 o   25.905   5.9151  543.888  101.385  527.806  102.716  1152.19  631.717   22.943   2.3638   28.867   11.592 -0.000000 0.000000 
1 1 1   -8    0   23 o   39.401   6.6342  2555.01  136.548  2596.76  138.502  1107.12  815.714   51.653   1.3836   27.149   13.196 -0.000000 0.000000 
1 1 1   -8    0   24 o   81.426   3.7017  5625.18  217.521  5556.26  221.133  7683.11  1208.37   75.584   1.5085   87.268   7.2482 -0.000000 0.000000 
1 1 1   -8    0   25 o   40.241   7.1273  1963.91  126.966  1966.83  128.123  1804.19  947.085   44.921   1.4729   35.561   14.178 -0.000000 0.000000 
1 1 1   -8    0   26 o   34.350   1.8622  1157.47  123.338  1157.47  123.338   0.0000   0.0000   34.350   1.8622   34.350   1.8622 -0.000000 0.000000 
1 1 1   -8    0   27 o   19.045   5.3331  530.216  115.781  546.188  116.497 -757.6843  1046.10   23.224   2.6765   14.867   10.325 -0.000000 0.000000 
1 1 1   -8    0   28 o   5.9074   3.9341 -35.7940  121.832 -35.7940  121.832   0.0000   0.0000   5.9074   3.9341   5.9074   3.9341 -0.000000 0.000000 
1 1 1   -8    0   29 o   80.036   1.6953  6246.62  263.116  6246.62  263.116   0.0000   0.0000   80.036   1.6953   80.036   1.6953 -0.000000 0.000000 
1 1 1   -8    0   30 o   7.7782   4.6032   70.374  119.942   70.374  119.942   0.0000   0.0000   7.7782   4.6032   7.7782   4.6032 -0.000000 0.000000 
1 1 1   -8    0   31 o   33.832   2.1264  1135.21  138.384  1135.21  138.384   0.0000   0.0000   33.832   2.1264   33.832   2.1264 -0.000000 0.000000 
1 1 1   -8    0   32 o   9.6419   5.2392  142.008  138.234  142.008  138.234   0.0000   0.0000   9.6419   5.2392   9.6419   5.2392 -0.000000 0.000000 
1 1 1   -8    0   33 o   7.2009   4.5841   31.463  140.884   31.463  140.884   0.0000   0.0000   7.2009   4.5841   7.2009   4.5841 -0.000000 0.000000 
1 1 1   -8    0   34 o   7.6718   4.7763   60.187  143.925   60.187  143.925   0.0000   0.0000   7.6718   4.7763   7.6718   4.7763 -0.000000 0.000000 
1 1 1   -8    0   35 f   11.838   5.6928  235.730  151.318  235.730  151.318   0.0000   0.0000   11.838   5.6928   11.838   5.6928 -0.000000 0.000000 
1 1 1   -8    1    1 o  165.000   1.0825 26433.23  346.711 26444.69  490.349 26421.79  490.298  165.036   1.5306  164.964   1.5311 0.7150269E-01 2.164952 
1 1 1   -8    1    2 o  112.441   0.8377 12272.04  182.835 12431.14  260.250 12116.99  256.917  113.160   1.1848  111.721   1.1847 1.439011 1.675433 
1 1 1   -8    1    3 o  150.017   1.0116 21843.11  294.534 22299.53  420.661 21404.16  412.526  151.554   1.4299  148.480   1.4313 3.073792 2.023136 
1 1 1   -8    1    4 o  224.164   1.2969 48794.05  564.321 48787.26  798.949 48800.80  797.194  224.148   1.8362  224.180   1.8319 -0.3134155E-01 2.593738 
1 1 1   -8    1    5 o  157.812   1.0506 24172.20  321.786 24552.87  459.754 23806.63  450.534  159.029   1.4893  156.594   1.4821 2.435165 2.101127 
1 1 1   -8    1    6 o  272.653   1.4202 72178.89  751.626 71805.75  1059.11 72557.51  1066.85  271.943   2.0063  273.362   2.0105 -1.419617 2.840301 
1 1 1   -8    1    7 o  137.672   1.2025 18400.71  321.368 18343.85  455.321 18457.15  453.651  137.460   1.7064  137.884   1.6949 -0.4240875 2.405079 
1 1 1   -8    1    8 o  317.157   1.8692 97655.65  1150.61 98873.35  1644.60 96488.10  1610.38  319.092   2.6551  315.221   2.6318 3.871094 3.738400 
1 1 1   -8    1    9 o  177.300   1.3907 30510.61  478.563 31010.83  683.344 30029.12  670.421  178.725   1.9696  175.874   1.9637 2.851608 2.781318 
1 1 1   -8    1   10 o  311.027   1.8993 93937.82  1146.70 94264.73  1623.51 93612.38  1619.84  311.567   2.6844  310.487   2.6876 1.080109 3.798547 
1 1 1   -8    1   11 o  203.736   1.8543 40307.48  733.333 39993.48  1033.68 40625.67  1040.54  202.937   2.6240  204.535   2.6207 -1.597778 3.708567 
1 1 1   -8    1   12 o  311.065   1.9498 93905.78  1176.87 96300.05  1694.31 91673.66  1635.93  314.893   2.7718  307.238   2.7430 7.655090 3.899611 
1 1 1   -8    1   13 o   91.955   2.0284  8212.44  362.002  8256.60  517.632  8170.17  506.448   92.196   2.8923   91.713   2.8447 0.4826279 4.056810 
1 1 1   -8    1   14 o  296.218   1.9984 85224.93  1149.08 85900.60  1631.56 84559.96  1618.60  297.383   2.8263  295.053   2.8260 2.329712 3.996806 
1 1 1   -8    1   15 o  221.986   1.3804 47852.31  594.844 47864.89  840.012 47839.68  842.465  222.015   1.9491  221.956   1.9553 0.5883789E-01 2.760859 
1 1 1   -8    1   16 f   92.549   1.0124  8311.93  181.801  8656.07  260.132  7983.36  254.183   94.421   1.4193   90.677   1.4440 3.743690 2.024736 
1 1 1   -8    1   17 o   37.774   0.9165  1385.45   67.090  1495.51   95.823  1279.61   93.963   39.246   1.2578   36.302   1.3334 2.944069 1.833028 
1 1 1   -8    1   18 o   62.883   0.8941  3834.67  109.071  3697.81  151.084  3983.64  157.623   61.712   1.2612   64.053   1.2677 -2.340572 1.788199 
1 1 1   -8    1   19 o  130.057   1.2532 16432.79  316.375 16718.06  449.960 16153.88  444.924  131.174   1.7671  128.941   1.7776 2.233124 2.506490 
1 1 1   -8    1   20 o   98.648   1.1054  9453.13  211.652  9311.21  296.731  9600.11  301.980   97.895   1.5615   99.402   1.5650 -1.506882 2.210773 
1 1 1   -8    1   21 o   25.682   1.3510  642.226   67.186  626.508   97.827  656.258   92.434   25.382   1.9855   25.981   1.8328 -0.5993500 2.702071 
1 1 1   -8    1   22 o   68.586   0.9682  4568.86  128.872  4715.76  184.235  4428.12  180.334   69.665   1.3624   67.507   1.3762 2.158844 1.936439 
1 1 1   -8    1   23 o   38.612   1.0655  1448.75   79.678  1319.83  111.266  1584.45  114.153   36.847   1.5556   40.376   1.4565 -3.529076 2.130987 
1 1 1   -8    1   24 o   70.876   1.0115  4883.12  139.161  4863.32  196.656  4902.98  196.952   70.732   1.4323   71.021   1.4286 -0.2881165 2.022938 
1 1 1   -8    1   25 o   51.059   1.0243  2535.48  101.502  2547.79  142.346  2522.74  144.775   51.186   1.4326   50.931   1.4643 0.2544098 2.048576 
1 1 1   -8    1   26 o   31.768   1.3749  983.427   84.776  1004.37  120.822  963.120  118.983   32.101   1.9389   31.434   1.9499 0.6668282 2.749846 
1 1 1   -8    1   27 o   31.233   1.4680  952.310   88.843  879.680  124.812  1026.91  126.490   30.020   2.1418   32.446   2.0083 -2.426064 2.936070 
1 1 1   -8    1   28 o   52.346   1.1372  2670.64  115.479  2803.52  164.678  2542.07  161.981   53.631   1.5818   51.061   1.6342 2.569252 2.274378 
1 1 1   -8    1   29 o   35.841   1.3767  1257.18   95.428  1115.94  132.741  1408.25  137.284   33.746   2.0264   37.937   1.8642 -4.190735 2.753443 
1 1 1   -8    1   30 o   31.751   1.4808  988.133   91.083  1067.97  133.719  919.030  124.407   32.944   2.0910   30.559   2.0972 2.384600 2.961509 
1 1 1   -8    1   31 o   16.739   2.7538  303.300   92.148  190.821  133.536  405.549  127.320   13.520   4.4197   19.958   3.2864 -6.438243 5.507661 
1 1 1   -8    1   32 o   39.417   1.3909  1550.61  105.951  1440.60  153.291  1651.24  146.607   38.020   2.0770   40.814   1.8504 -2.794853 2.781772 
1 1 1   -8    1   33 o   33.065   1.6471  1110.24  105.154  1190.13  145.401  1022.64  152.257   34.401   2.1774   31.729   2.4721 2.672012 3.294252 
1 1 1   -8    1   34 o   10.841   3.1137   82.449  104.629   18.962  142.597  156.490  153.994   9.4547   4.1242   12.227   4.6661 -2.772181 6.227457 
1 1 1   -8    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8    2    1 o  158.236   1.0381 24309.81  318.867 24330.16  451.279 24289.52  450.612  158.302   1.4686  158.170   1.4676 0.1322174 2.076195 
1 1 1   -8    2    2 o   51.879   0.4594  2612.26   46.260  2595.36   65.090  2629.51   65.757   51.709   0.6485   52.048   0.6508 -0.3391380 0.9187387 
1 1 1   -8    2    3 o  182.805   1.1618 32447.24  412.258 32348.76  582.152 32546.30  583.893  182.527   1.6430  183.083   1.6429 -0.5564423 2.323519 
1 1 1   -8    2    4 o  194.096   1.1899 36578.93  448.313 36687.05  634.947 36471.46  633.076  194.382   1.6827  193.810   1.6827 0.5719757 2.379746 
1 1 1   -8    2    5 o  185.625   1.1598 33452.53  417.910 33258.32  589.276 33649.05  592.769  185.083   1.6402  186.167   1.6403 -1.084045 2.319625 
1 1 1   -8    2    6 o  134.528   0.9332 17567.53  243.703 17436.63  343.222 17700.63  346.094  134.023   1.3193  135.033   1.3203 -1.010712 1.866486 
1 1 1   -8    2    7 o  122.793   1.1339 14632.94  270.227 14346.49  378.185 14931.76  386.262  121.566   1.6026  124.020   1.6044 -2.454857 2.267728 
1 1 1   -8    2    8 o  160.646   1.3096 25051.76  408.361 25292.68  581.027 24816.59  574.055  161.409   1.8544  159.883   1.8496 1.526245 2.619146 
1 1 1   -8    2    9 o   87.231   0.9198  7386.26  155.753  7344.13  220.339  7428.33  220.196   86.982   1.3050   87.479   1.2967 -0.4972305 1.839659 
1 1 1   -8    2   10 o   99.362   1.4974  9529.20  241.365  9483.48  273.921  9687.97  510.458   98.841   1.4277   99.884   2.6327 -1.043289 2.994866 
1 1 1   -8    2   11 o  189.718   1.8700 34952.29  688.664 35048.46  978.900 34858.05  969.011  189.976   2.6544  189.460   2.6348 0.5159760 3.740082 
1 1 1   -8    2   12 o  262.355   1.9051 66844.14  970.217 66800.66  1369.53 66887.95  1374.67  262.269   2.6900  262.440   2.6984 -0.1708374 3.810197 
1 1 1   -8    2   13 o  220.913   1.9198 47399.00  823.231 47526.49  1168.93 47273.54  1159.58  221.207   2.7222  220.618   2.7077 0.5886230 3.839519 
1 1 1   -8    2   14 o  194.812   1.6451 36625.59  576.145 37459.25  1038.23 36254.63  692.569  196.385   2.7234  193.238   1.8463 3.146561 3.290289 
1 1 1   -8    2   15 o  192.165   1.6774 35486.62  577.515 36853.70  1050.91 34895.15  691.247  194.761   2.7797  189.568   1.8785 5.193619 3.354897 
1 1 1   -8    2   16 o  197.124   1.3689 37729.84  523.728 37243.94  732.518 38237.97  749.087  195.827   1.9270  198.422   1.9448 -2.594925 2.737810 
1 1 1   -8    2   17 o  124.917   1.2012 15156.21  291.223 15196.04  408.388 15115.00  415.404  125.084   1.6819  124.749   1.7154 0.3356018 2.402394 
1 1 1   -8    2   18 o   36.185   0.9298  1269.70   65.266  1334.04   94.187  1210.28   90.522   37.066   1.3090   35.305   1.3209 1.761295 1.859633 
1 1 1   -8    2   19 f   58.905   0.8866  3365.10  101.311  3494.68  146.585  3246.60  140.182   59.989   1.2588   57.820   1.2489 2.168098 1.773254 
1 1 1   -8    2   20 o  124.488   1.1916 15058.16  287.940 14797.68  405.233 15323.77  409.214  123.400   1.6917  125.575   1.6787 -2.175598 2.383275 
1 1 1   -8    2   21 o   28.896   1.1976  813.252   66.988  785.488   97.489  838.087   92.202   28.426   1.7667   29.366   1.6174 -0.9399796 2.395296 
1 1 1   -8    2   22 o   56.214   0.9479  3067.00  103.377  3170.41  149.336  2971.86  143.247   57.122   1.3468   55.305   1.3343 1.816952 1.895835 
1 1 1   -8    2   23 o   77.764   1.0196  5873.53  153.855  5680.19  214.656  6077.80  220.635   76.449   1.4465   79.080   1.4373 -2.631104 2.039125 
1 1 1   -8    2   24 o   79.765   1.0588  6185.60  163.942  6183.41  231.790  6187.79  231.908   79.751   1.4973   79.779   1.4975 -0.2821350E-01 2.117599 
1 1 1   -8    2   25 o   38.759   1.1598  1463.08   87.177  1505.60  121.854  1418.50  124.771   39.339   1.5957   38.179   1.6835 1.159924 2.319612 
1 1 1   -8    2   26 o   59.114   1.0391  3398.89  119.158  3426.99  172.090  3373.00  165.154   59.347   1.4938   58.882   1.4449 0.4646034 2.078269 
1 1 1   -8    2   27 o   92.504   1.2416  8335.98  222.928  8221.07  313.204  8453.98  317.372   91.858   1.7565   93.150   1.7552 -1.292404 2.483127 
1 1 1   -8    2   28 o   52.599   1.1409  2695.31  116.444  2626.65  161.964  2768.77  167.532   51.907   1.6074   53.291   1.6195 -1.384018 2.281788 
1 1 1   -8    2   29 o   50.642   1.1431  2504.85  112.348  2451.79  159.032  2557.72  158.737   50.103   1.6352   51.181   1.5977 -1.078087 2.286151 
1 1 1   -8    2   30 o   12.832   2.9923  164.518   86.634  147.527  129.020  178.469  116.911   12.470   4.3437   13.195   4.1169 -0.7245388 5.984695 
1 1 1   -8    2   31 o   62.421   1.1615  3827.15  140.577  3855.07  203.995  3801.89  193.995   62.622   1.6781   62.221   1.6062 0.4002686 2.322906 
1 1 1   -8    2   32 o   52.363   1.1945  2709.51  121.319  2681.37  174.582  2735.78  168.710   52.080   1.7269   52.647   1.6508 -0.5670586 2.389026 
1 1 1   -8    2   33 o   40.871   1.4108  1670.89  111.759  1553.00  156.822  1792.54  159.311   39.372   2.0519   42.371   1.9369 -2.999699 2.821694 
1 1 1   -8    2   34 o   23.917   2.3187  612.059  107.641  602.972  151.251  621.385  153.225   23.734   3.2829   24.099   3.2754 -0.3647900 4.637409 
1 1 1   -8    2   35 o   15.201   3.1751  286.419  108.287  156.650  151.361  422.476  154.985   11.866   4.6005   18.536   4.3772 -6.670034 6.350212 
1 1 1   -8    3    1 o  192.044   1.1877 35810.77  442.770 35927.48  626.282 35694.13  626.061  192.357   1.6772  191.731   1.6821 0.6259155 2.375439 
1 1 1   -8    3    2 o   64.498   0.5449  4038.05   68.226  4033.85   96.465  4042.25   96.507   64.465   0.7709   64.532   0.7704 -0.6711578E-01 1.089843 
1 1 1   -8    3    3 o  153.889   1.0430 22992.13  311.558 23115.15  441.246 22869.82  439.975  154.299   1.4732  153.478   1.4768 0.8211212 2.085928 
1 1 1   -8    3    4 o  131.527   0.9368 16793.50  239.166 16590.88  336.935 16999.28  339.544  130.728   1.3277  132.327   1.3219 -1.599319 1.873551 
1 1 1   -8    3    5 o  186.550   1.1657 33787.19  422.131 33703.34  595.872 33871.66  598.101  186.318   1.6475  186.782   1.6496 -0.4645996 2.331412 
1 1 1   -8    3    6 o  120.156   0.8626 14007.88  201.144 13721.26  280.443 14311.53  288.656  118.891   1.2151  121.422   1.2247 -2.530212 1.725226 
1 1 1   -8    3    7 f  108.927   1.0589 11515.89  223.873 11637.76  320.065 11399.15  313.253  109.491   1.5059  108.363   1.4892 1.128021 2.117875 
1 1 1   -8    3    8 o  244.242   1.5450 57917.57  732.522 58168.71  1037.58 57668.02  1034.32  244.770   2.1837  243.714   2.1863 1.055801 3.090069 
1 1 1   -8    3    9 o  145.241   1.2169 20477.32  343.076 20657.65  487.184 20299.91  483.206  145.876   1.7205  144.607   1.7214 1.268646 2.433757 
1 1 1   -8    3   10 o  300.536   1.8066 87629.89  1043.45 87178.52  1379.92 88232.59  1594.55  299.642   2.3724  301.430   2.7251 -1.787384 3.613110 
1 1 1   -8    3   11 o  133.487   1.8856 17304.96  488.567 17014.42  690.350 17596.50  691.528  132.364   2.6868  134.610   2.6465 -2.246231 3.771295 
1 1 1   -8    3   12 o  233.989   1.8964 53169.94  861.382 53453.03  1221.79 52890.19  1214.60  234.609   2.6828  233.370   2.6812 1.238358 3.792888 
1 1 1   -8    3   13 o  247.234   1.9348 59369.54  928.535 59477.92  1310.17 59260.16  1316.14  247.461   2.7275  247.007   2.7449 0.4545288 3.869564 
1 1 1   -8    3   14 o  285.525   1.7487 79114.66  926.144 79373.98  1560.93 78973.77  1150.55  285.861   2.8129  285.189   2.0783 0.6719666 3.497425 
1 1 1   -8    3   15 o  100.980   1.6879 10018.53  255.329  9725.53  593.907 10084.96  282.798  100.039   3.0583  101.920   1.4294 -1.880981 3.375861 
1 1 1   -8    3   16 o  103.035   1.0575 10308.65  211.493 10201.84  299.811 10414.45  298.387  102.503   1.5068  103.566   1.4842 -1.063187 2.115005 
1 1 1   -8    3   17 o   71.884   0.8969  5016.88  125.145  5062.61  177.912  4972.10  176.066   72.208   1.2693   71.560   1.2675 0.6483536 1.793749 
1 1 1   -8    3   18 o   54.347   0.8557  2856.02   90.075  3049.57  132.903  2691.58  122.502   56.043   1.2217   52.651   1.1986 3.391685 1.711437 
1 1 1   -8    3   19 o  107.918   1.1320 11310.85  237.089 11457.57  339.173 11170.66  331.547  108.601   1.6089  107.234   1.5928 1.367416 2.263920 
1 1 1   -8    3   20 o  105.277   1.1474 10769.13  234.475 10803.93  332.849 10734.85  330.361  105.446   1.6261  105.108   1.6191 0.3371353 2.294758 
1 1 1   -8    3   21 o   45.585   0.9498  2020.13   83.942  1986.65  121.229  2050.97  116.346   45.221   1.3810   45.949   1.3044 -0.7285385 1.899643 
1 1 1   -8    3   22 o  124.535   1.2762 15082.69  308.495 15042.02  437.639 15122.86  434.928  124.367   1.8128  124.703   1.7967 -0.3358994 2.552306 
1 1 1   -8    3   23 o   46.246   1.0139  2083.46   90.811  1961.32  130.175  2199.25  126.745   44.920   1.4929   47.572   1.3725 -2.651997 2.027898 
1 1 1   -8    3   24 o  102.387   1.1924 10196.56  236.988 10157.95  335.803 10234.87  334.504  102.193   1.6928  102.581   1.6799 -0.3878479 2.384824 
1 1 1   -8    3   25 o   29.988   1.3529  875.435   78.728  889.616  113.136  862.120  109.624   30.223   1.9284   29.753   1.8980 0.4691010 2.705808 
1 1 1   -8    3   26 o   34.137   1.2804  1134.86   84.766  1143.00  122.832  1127.46  117.126   34.251   1.8474   34.023   1.7735 0.2285156 2.560898 
1 1 1   -8    3   27 o   21.686   2.0250  461.844   83.805  578.030  121.745  357.208  115.536   24.303   2.5806   19.068   3.1213 5.234449 4.049969 
1 1 1   -8    3   28 f   46.486   1.1889  2106.82  107.214  2214.63  153.218  2003.38  150.078   47.654   1.6563   45.318   1.7060 2.336395 2.377774 
1 1 1   -8    3   29 o   45.407   1.2129  2017.44  106.709  1873.86  150.794  2161.47  151.024   43.776   1.7745   47.039   1.6540 -3.262501 2.425807 
1 1 1   -8    3   30 o   44.851   1.2457  1968.75  108.230  2017.42  159.063  1926.80  147.690   45.355   1.8067   44.347   1.7156 1.007927 2.491456 
1 1 1   -8    3   31 o   30.655   1.5937  929.205   94.607  1019.77  138.936  850.909  129.185   32.048   2.2333   29.262   2.2743 2.785439 3.187465 
1 1 1   -8    3   32 o   10.100   2.8731   45.619   90.620  135.128  132.658 -32.6923  124.082   11.871   4.3722   8.3287   3.7286 3.542031 5.746135 
1 1 1   -8    3   33 f   34.320   1.6307  1190.82  107.864  1017.30  150.262  1375.29  154.930   31.655   2.4454   36.986   2.1579 -5.331049 3.261346 
1 1 1   -8    3   34 o   9.3788   2.9246   4.5247  103.835   33.763  152.637 -20.6622  141.666   9.9258   4.2986   8.8319   3.9668 1.093884 5.849239 
1 1 1   -8    3   35 o   11.141   3.2025  119.077  108.720  101.377  161.054  133.897  147.362   10.923   4.5591   11.358   4.4987 -0.4353504 6.404943 
1 1 1   -8    4    1 f  168.985   1.0870 27725.16  356.578 27766.23  504.971 27684.32  503.587  169.109   1.5383  168.860   1.5363 0.2495422 2.174071 
1 1 1   -8    4    2 o  261.847   1.4717 66554.89  743.592 66889.37  1115.39 66287.32  997.631  262.430   2.1895  261.263   1.9671 1.166595 2.943379 
1 1 1   -8    4    3 o  210.570   1.2419 43050.35  507.598 43416.12  722.117 42693.10  713.662  211.454   1.7592  209.686   1.7533 1.767776 2.483754 
1 1 1   -8    4    4 o  302.799   1.8187 89058.23  1068.95 89730.78  1519.42 88399.11  1504.15  303.930   2.5754  301.667   2.5686 2.263062 3.637345 
1 1 1   -8    4    5 o  230.402   1.3045 51537.84  583.424 51117.09  820.156 51968.86  830.106  229.450   1.8414  231.354   1.8484 -1.903442 2.609061 
1 1 1   -8    4    6 o  135.643   0.9651 17860.49  254.122 17931.44  360.282 17790.24  358.492  135.911   1.3656  135.375   1.3642 0.5361633 1.930256 
1 1 1   -8    4    7 o  243.179   1.4485 57526.04  679.742 56341.86  1012.17 58498.85  917.400  240.891   2.1646  245.468   1.9253 -4.577026 2.896918 
1 1 1   -8    4    8 o  487.416   2.0750 230663.70  1962.72 232809.09  2815.69 228636.00  2737.37  489.617   2.9625  485.214   2.9063 4.402740 4.150055 
1 1 1   -8    4    9 o  229.151   1.5139 50980.84  673.421 51002.10  949.326 50959.31  955.424  229.200   2.1337  229.103   2.1483 0.9660339E-01 3.027879 
1 1 1   -8    4   10 o  105.338   1.5368 10740.39  270.930 10708.54  311.927 10838.22  546.705  105.030   1.5299  105.646   2.6658 -0.6163940 3.073670 
1 1 1   -8    4   11 o  280.196   1.9046 76242.98  1035.94 75873.06  1462.50 76615.49  1467.60  279.514   2.6954  280.878   2.6917 -1.364441 3.809256 
1 1 1   -8    4   12 o  242.714   1.9149 57211.17  902.187 57244.89  1274.16 57177.27  1277.61  242.786   2.7036  242.642   2.7125 0.1439362 3.829738 
1 1 1   -8    4   13 o  141.395   1.5987 19348.58  389.049 19555.91  752.374 19272.91  454.534  141.895   2.7315  140.896   1.6619 0.9987335 3.197347 
1 1 1   -8    4   14 o  262.282   1.7268 66599.66  834.956 67470.87  1429.28 66148.33  1028.75  263.556   2.7937  261.008   2.0304 2.548157 3.453616 
1 1 1   -8    4   15 o   43.949   2.8351  2198.90  101.759  1550.83  430.360  2237.28  104.729   39.891   5.5577   48.007   1.1238 -8.116325 5.670168 
1 1 1   -8    4   16 o  125.839   1.7723 15396.70  432.613 15734.72  604.845 15042.65  619.014  127.257   2.4485  124.421   2.5630 2.836426 3.544559 
1 1 1   -8    4   17 o   97.848   1.0675  9296.93  202.757  9386.35  288.409  9209.55  285.104   98.313   1.5112   97.383   1.5082 0.9301987 2.135048 
1 1 1   -8    4   18 o  121.691   1.1791 14382.21  278.526 14510.64  395.412 14255.73  392.395  122.230   1.6665  121.151   1.6685 1.078491 2.358219 
1 1 1   -8    4   19 o  156.339   1.3067 23748.47  396.548 24078.28  564.490 23427.14  557.187  157.411   1.8474  155.268   1.8486 2.143097 2.613489 
1 1 1   -8    4   20 o  117.635   1.2327 13446.53  281.435 13536.30  402.634 13360.77  393.539  118.017   1.7575  117.252   1.7290 0.7651749 2.465444 
1 1 1   -8    4   21 o   75.328   0.9825  5512.67  143.601  5511.47  206.190  5513.80  200.110   75.319   1.4103   75.337   1.3683 -0.1810455E-01 1.964991 
1 1 1   -8    4   22 o  103.698   1.1351 10453.04  228.433 10462.95  326.724 10443.56  319.502  103.744   1.6224  103.652   1.5879 0.9268951E-01 2.270163 
1 1 1   -8    4   23 o  116.829   1.2699 13272.45  287.864 13368.29  414.314 13183.02  400.253  117.234   1.8206  116.425   1.7710 0.8084717 2.539890 
1 1 1   -8    4   24 o  125.187   1.2901 15248.93  313.515 15254.27  442.564 15243.54  444.196  125.209   1.8208  125.164   1.8282 0.4529572E-01 2.580289 
1 1 1   -8    4   25 f   56.429   1.0296  3102.73  112.486  2999.63  163.496  3195.40  155.001   55.533   1.5167   57.326   1.3929 -1.793175 2.059238 
1 1 1   -8    4   26 f   91.428   1.2033  8141.71  213.364  8091.77  307.774  8187.92  296.052   91.151   1.7394   91.705   1.6631 -0.5533752 2.406526 
1 1 1   -8    4   27 o  100.021   1.3291  9757.73  257.879  9613.51  370.083  9893.86  359.538   99.293   1.9201  100.750   1.8384 -1.456757 2.658251 
1 1 1   -8    4   28 o   31.015   1.4723  941.314   88.574  923.839  127.038  957.844  123.558   30.729   2.1297   31.301   2.0335 -0.5713749 2.944625 
1 1 1   -8    4   29 o   57.822   1.1318  3264.58  127.026  3291.13  181.185  3238.92  178.138   58.052   1.6078   57.593   1.5934 0.4591560 2.263637 
1 1 1   -8    4   30 o   40.512   1.3023  1610.51  101.868  1837.26  146.498  1398.23  141.746   43.297   1.7431   37.728   1.9354 5.568169 2.604645 
1 1 1   -8    4   31 o   22.547   2.1905  534.549   89.538  376.727  127.817  686.623  125.468   18.864   3.6221   26.229   2.4643 -7.364414 4.380904 
1 1 1   -8    4   32 o   53.673   1.1854  2841.97  123.066  2882.08  182.382  2808.44  166.749   53.985   1.7404   53.362   1.6098 0.6225433 2.370724 
1 1 1   -8    4   33 o   49.101   1.2967  2397.51  123.474  2477.90  179.528  2325.34  170.092   49.867   1.8546   48.335   1.8128 1.531548 2.593440 
1 1 1   -8    4   34 o   10.410   2.9605   50.062  105.158 -128.2834  161.352  181.748  138.648   8.1436   3.8529   12.677   4.4958 -4.533624 5.920962 
1 1 1   -8    4   35 f   10.916   3.1502  106.619  107.740   50.240  159.562  153.863  146.065   10.070   4.3780   11.762   4.5307 -1.692165 6.300339 
1 1 1   -8    5    1 o  207.092   1.2401 41643.05  498.522 41471.83  704.117 41815.15  705.921  206.665   1.7551  207.519   1.7524 -0.8537903 2.480208 
1 1 1   -8    5    2 o  111.846   0.8373 12143.86  181.789 12144.96  257.032 12142.75  257.146  111.851   1.1838  111.840   1.1844 0.1020813E-01 1.674613 
1 1 1   -8    5    3 o  299.838   1.7256 87382.56  999.237 86762.97  1487.37 87892.25  1349.01  298.857   2.5638  300.820   2.3102 -1.962921 3.451109 
1 1 1   -8    5    4 o  175.105   1.1566 29767.66  393.114 29522.47  553.434 30017.36  558.495  174.378   1.6350  175.833   1.6363 -1.455444 2.313111 
1 1 1   -8    5    5 o  246.174   1.4496 58802.80  687.584 58509.65  917.084 59179.14  1039.08  245.480   1.9245  246.868   2.1683 -1.388092 2.899216 
1 1 1   -8    5    6 o  232.080   1.3140 52285.47  591.948 51632.51  831.484 52956.52  842.915  230.611   1.8574  233.549   1.8593 -2.937973 2.628087 
1 1 1   -8    5    7 o  113.287   0.9855 12467.79  210.222 12418.92  341.409 12497.63  266.798  113.106   1.5550  113.468   1.2113 -0.3619156 1.971084 
1 1 1   -8    5    8 o  188.250   1.3717 34404.04  501.266 34337.79  708.063 34470.60  709.734  188.068   1.9395  188.432   1.9403 -0.3633270 2.743462 
1 1 1   -8    5    9 o  206.729   1.4345 41490.70  575.659 41450.52  813.780 41530.94  814.431  206.629   2.0289  206.829   2.0285 -0.2003632 2.868994 
1 1 1   -8    5   10 f  242.199   1.7148 56896.26  794.449 56593.13  1037.19 57326.57  1235.76  241.428   2.2131  242.971   2.6201 -1.542313 3.429678 
1 1 1   -8    5   11 o  252.692   1.8829 62003.68  923.558 61427.14  1297.80 62595.23  1314.58  251.503   2.6583  253.882   2.6674 -2.379547 3.765831 
1 1 1   -8    5   12 o   85.732   2.0610  7140.74  342.856  7376.45  484.770  6904.83  484.974   87.149   2.8656   84.315   2.9631 2.833961 4.122074 
1 1 1   -8    5   13 o  311.187   1.7598 94091.33  1017.86 93884.44  1705.46 94205.78  1268.56  310.894   2.8259  311.479   2.0980 -0.5852356 3.519631 
1 1 1   -8    5   14 o  201.222   1.6734 39219.64  604.607 39591.82  1088.45 39053.56  727.100  201.889   2.7773  200.556   1.8676 1.333542 3.346898 
1 1 1   -8    5   15 o  165.508   1.6714 26747.78  486.418 26275.08  901.959 26941.64  577.611  164.445   2.8255  166.572   1.7864 -2.126587 3.342866 
1 1 1   -8    5   16 o   59.207   1.9895  3659.81  133.991  3104.53  416.739  3723.84  141.505   56.481   3.8010   61.933   1.1770 -5.451572 3.979024 
1 1 1   -8    5   17 o   86.703   0.9968  7300.57  167.752  7213.03  238.008  7386.98  236.473   86.186   1.4226   87.220   1.3967 -1.033836 1.993646 
1 1 1   -8    5   18 o  219.803   1.4494 46941.49  618.430 46863.94  872.586 47019.76  876.610  219.621   2.0468  219.985   2.0528 -0.3641205 2.898839 
1 1 1   -8    5   19 o  140.976   1.2803 19312.73  350.344 19490.31  495.600 19135.36  495.322  141.624   1.8027  140.327   1.8184 1.296967 2.560512 
1 1 1   -8    5   20 o   88.728   1.0307  7647.59  177.509  7677.85  253.284  7618.38  248.847   88.900   1.4677   88.556   1.4476 0.3438339 2.061488 
1 1 1   -8    5   21 o   75.353   1.0057  5519.01  147.026  5335.80  208.522  5700.14  207.336   74.107   1.4495   76.598   1.3944 -2.491241 2.011348 
1 1 1   -8    5   22 o   60.208   3.1712  3561.80  370.314  3548.07  534.239  3574.50  513.767   60.080   4.5808   60.335   4.3866 -0.2548065 6.342403 
1 1 1   -8    5   23 o   98.942   1.1342  9517.66  217.846  9469.91  308.043  9565.42  308.117   98.693   1.6079   99.191   1.6002 -0.4972382 2.268490 
1 1 1   -8    5   24 o   96.992   1.1666  9154.06  219.492  8999.60  314.519  9300.69  306.457   96.189   1.6844   97.794   1.6143 -1.604378 2.333107 
1 1 1   -8    5   25 o   41.888   1.1434  1689.81   92.105  1830.22  142.234  1588.40  120.871   43.366   1.6896   40.409   1.5409 2.957294 2.286733 
1 1 1   -8    5   26 o   88.713   1.2232  7664.98  210.546  7375.62  296.647  7958.71  298.881   87.021   1.7561   90.405   1.7031 -3.383743 2.446315 
1 1 1   -8    5   27 o   23.140   1.9936  529.829   87.942  412.582  123.460  650.596  125.299   20.493   3.1036   25.788   2.5030 -5.295345 3.987126 
1 1 1   -8    5   28 o   35.131   1.3587  1210.98   92.251  1109.22  132.602  1306.42  128.424   33.682   2.0281   36.581   1.8085 -2.899097 2.717344 
1 1 1   -8    5   29 o   61.269   1.1342  3661.13  134.724  3763.37  196.526  3570.48  185.049   62.069   1.6311   60.470   1.5765 1.598824 2.268414 
1 1 1   -8    5   30 o   60.819   1.1508  3620.79  135.839  3517.67  191.135  3726.02  193.089   59.939   1.6427   61.699   1.6122 -1.759476 2.301667 
1 1 1   -8    5   31 f   29.461   1.6670  884.410   92.954  700.189  136.205  1045.01  127.173   26.421   2.6557   32.501   2.0157 -6.080217 3.334029 
1 1 1   -8    5   32 o   24.958   1.9694  639.065   93.825  599.907  143.540  668.275  123.976   24.166   3.0599   25.750   2.4802 -1.584740 3.938856 
1 1 1   -8    5   33 o   9.4191   2.8745   16.199   96.981 -26.2348  142.215   53.086  132.595   8.9000   3.9875   9.9381   4.1414 -1.038114 5.749069 
1 1 1   -8    5   34 o   14.069   3.1930  232.030   99.906  289.211  146.428  182.226  136.656   15.467   4.5639   12.670   4.4666 2.796535 6.385929 
1 1 1   -8    5   35 f   12.984   3.2589  203.172  106.112  136.494  150.130  269.734  150.000   11.436   4.5372   14.531   4.6793 -3.094820 6.517805 
1 1 1   -8    6    1 o  137.446   0.9659 18340.34  257.708 18401.96  363.955 18278.38  364.956  137.677   1.3618  137.214   1.3702 0.4632874 1.931824 
1 1 1   -8    6    2 o  311.633   1.8341 94341.30  1109.48 94616.75  1567.07 94064.48  1571.01  312.090   2.5867  311.176   2.6008 0.9136047 3.668120 
1 1 1   -8    6    3 o  198.340   1.2115 38191.44  466.417 37783.93  655.593 38609.10  663.707  197.269   1.7120  199.411   1.7146 -2.142349 2.422988 
1 1 1   -8    6    4 o   20.933   0.3798  426.102   15.397  410.940   22.293  439.931   21.291   20.576   0.5581   21.290   0.5152 -0.7134933 0.7595603 
1 1 1   -8    6    5 o  209.813   1.2761 42740.43  519.719 42980.11  734.800 42500.49  735.187  210.402   1.7991  209.224   1.8102 1.177628 2.552153 
1 1 1   -8    6    6 o  221.596   1.2998 47668.78  559.094 47174.89  785.701 48175.38  795.751  220.434   1.8362  222.758   1.8403 -2.325089 2.599629 
1 1 1   -8    6    7 o  183.024   1.2648 32463.10  442.818 32852.26  689.300 32189.64  577.823  183.953   1.9304  182.095   1.6347 1.857651 2.529510 
1 1 1   -8    6    8 o  141.127   1.2464 19334.91  341.447 19299.04  483.274 19370.67  482.485  140.996   1.7657  141.258   1.7596 -0.2615204 2.492759 
1 1 1   -8    6    9 o  119.055   1.0851 13759.21  250.774 13815.07  354.977 13703.57  354.319  119.296   1.5329  118.814   1.5363 0.4824371 2.170209 
1 1 1   -8    6   10 o  119.990   1.6594 13980.21  386.507 14076.54  546.094 13883.52  547.115  120.405   2.3365  119.576   2.3571 0.8287735 3.318851 
1 1 1   -8    6   11 o  159.425   1.8685 24689.87  578.069 25195.91  813.692 24174.21  821.388  161.076   2.6023  157.774   2.6819 3.302231 3.736961 
1 1 1   -8    6   12 o  161.418   1.5841 25347.11  449.013 25189.19  836.994 25410.92  532.052  161.050   2.6773  161.786   1.6941 -0.7359314 3.168278 
1 1 1   -8    6   13 o  268.798   1.7083 70418.47  851.522 69309.74  1429.02 71028.88  1060.33  267.129   2.7558  270.467   2.0196 -3.338196 3.416613 
1 1 1   -8    6   14 f  209.342   1.6921 42376.67  641.748 43075.09  1138.20 42051.17  777.035  210.578   2.7845  208.106   1.9235 2.472183 3.384233 
1 1 1   -8    6   15 o  168.730   1.6785 27914.50  497.048 27041.76  921.237 28272.89  590.348  166.824   2.8448  170.637   1.7823 -3.812851 3.356960 
1 1 1   -8    6   16 o  125.163   1.7019 15182.48  344.910 15293.48  729.551 15150.53  391.416  125.419   2.9966  124.908   1.6143 0.5118561 3.403742 
1 1 1   -8    6   17 o  278.333   1.5217 75268.01  822.115 74636.84  1155.68 75914.65  1169.74  277.153   2.1481  279.514   2.1559 -2.361298 3.043360 
1 1 1   -8    6   18 o  123.628   1.2007 14835.90  288.031 14516.76  400.516 15177.75  414.520  122.253   1.6877  125.004   1.7083 -2.751167 2.401363 
1 1 1   -8    6   19 o  161.102   1.3595 25225.08  425.168 25243.81  601.163 25206.32  601.393  161.163   1.9216  161.043   1.9238 0.1199341 2.719085 
1 1 1   -8    6   20 o   31.105   1.1091  945.816   66.296  895.013   99.583  986.254   88.845   30.348   1.6904   31.863   1.4364 -1.514845 2.218297 
1 1 1   -8    6   21 o  126.574   1.2571 15573.52  308.875 15671.82  438.094 15476.35  435.547  126.971   1.7774  126.177   1.7782 0.7944412 2.514247 
1 1 1   -8    6   22 o   94.589   1.0813  8690.47  198.473  8401.91  276.854  8995.57  284.676   92.974   1.5340   96.203   1.5244 -3.229500 2.162614 
1 1 1   -8    6   23 o   62.147   1.0043  3756.94  121.026  3571.87  171.625  3940.00  170.693   60.621   1.4584   63.673   1.3810 -3.051952 2.008540 
1 1 1   -8    6   24 o   46.619   1.0345  2112.86   93.537  2111.84  135.016  2113.80  129.705   46.606   1.4924   46.631   1.4329 -0.2476501E-01 2.068912 
1 1 1   -8    6   25 o   73.817   1.0696  5303.08  153.157  5091.06  217.094  5513.15  216.102   72.344   1.5459   75.290   1.4786 -2.946426 2.139180 
1 1 1   -8    6   26 o  100.902   1.2781  9920.67  250.088  9863.06  361.314  9973.66  346.506  100.612   1.8500  101.192   1.7640 -0.5802689 2.556203 
1 1 1   -8    6   27 o  129.236   1.5185 16315.99  380.358 16128.36  551.818 16485.82  524.998  128.505   2.2121  129.968   2.0809 -1.462921 3.037068 
1 1 1   -8    6   28 o   21.140   2.0883  439.678   85.587  461.374  124.945  420.497  117.477   21.628   2.9760   20.653   2.9303 0.9752750 4.176563 
1 1 1   -8    6   29 o   54.451   1.1350  2895.90  119.874  2742.75  168.347  3053.42  170.733   52.984   1.6368   55.918   1.5729 -2.934330 2.270048 
1 1 1   -8    6   30 o   37.636   1.3801  1391.96  100.465  1241.21  140.158  1551.28  144.082   35.520   2.0327   39.751   1.8672 -4.231209 2.760160 
1 1 1   -8    6   31 o   24.278   1.9031  593.083   88.907  583.366  134.131  600.698  118.738   24.042   2.8740   24.513   2.4954 -0.4702930 3.806138 
1 1 1   -8    6   32 o   50.178   1.1960  2476.60  116.176  2630.09  172.320  2348.71  157.301   51.582   1.7210   48.775   1.6614 2.807159 2.392062 
1 1 1   -8    6   33 o   18.492   2.7507  389.446   98.070  247.213  140.880  523.174  136.603   14.626   4.5120   22.358   3.1475 -7.731241 5.501338 
1 1 1   -8    6   34 o   42.558   1.4271  1827.87  117.883  1864.08  168.225  1792.94  165.240   42.973   2.0166   42.143   2.0199 0.8306770 2.854245 
1 1 1   -8    7    1 o  300.361   1.6146 87492.93  901.792 87186.04  1123.19 88049.64  1512.74  299.647   1.9310  301.074   2.5884 -1.427460 3.229291 
1 1 1   -8    7    2 o  165.620   1.1766 26657.92  375.689 26858.94  503.682 26405.84  564.034  166.328   1.5600  164.912   1.7619 1.415421 2.353295 
1 1 1   -8    7    3 o  256.757   1.4730 64080.11  730.713 63339.30  1084.20 64696.66  989.107  255.390   2.1869  258.125   1.9740 -2.734665 2.946088 
1 1 1   -8    7    4 o  172.153   1.1273 28772.13  376.695 28743.36  530.684 28801.34  534.795  172.066   1.5888  172.240   1.5995 -0.1731720 2.254507 
1 1 1   -8    7    5 o   98.372   0.7597  9393.47  145.079  9399.89  205.238  9387.06  205.106   98.406   1.0744   98.339   1.0745 0.6716156E-01 1.519480 
1 1 1   -8    7    6 o  448.239   2.0069 195125.30  1746.15 194499.50  2455.11 195765.91  2484.00  447.513   2.8262  448.965   2.8502 -1.452148 4.013832 
1 1 1   -8    7    7 o  274.992   1.6006 73422.37  854.418 73744.98  1209.34 73100.82  1207.32  275.595   2.2605  274.389   2.2667 1.206573 3.201232 
1 1 1   -8    7    8 o  219.299   1.4834 46687.07  631.445 46995.44  899.034 46386.84  887.083  220.014   2.1050  218.585   2.0906 1.428833 2.966814 
1 1 1   -8    7    9 o  301.967   1.6760 88528.22  982.341 87972.95  1379.96 89098.66  1398.70  301.008   2.3617  302.927   2.3786 -1.918945 3.351929 
1 1 1   -8    7   10 o  265.543   1.7578 68278.34  893.804 67325.32  1167.72 69626.62  1388.92  263.322   2.2845  267.765   2.6721 -4.443329 3.515558 
1 1 1   -8    7   11 o  126.238   1.8855 15475.80  462.013 15231.63  651.742 15722.45  655.041  125.237   2.6809  127.240   2.6520 -2.002556 3.771008 
1 1 1   -8    7   12 o  329.763   1.7617 105299.80  1080.88 106650.20  1813.54 104555.90  1346.09  331.373   2.8193  328.152   2.1132 3.221436 3.523360 
1 1 1   -8    7   13 o  259.882   1.6998 65694.70  816.837 65235.71  1382.46 65940.88  1012.47  259.161   2.7480  260.602   2.0014 -1.440613 3.399597 
1 1 1   -8    7   14 o  298.020   1.7612 86320.09  975.307 86075.85  1634.77 86455.08  1215.28  297.662   2.8292  298.379   2.0982 -0.7167053 3.522342 
1 1 1   -8    7   15 o  173.665   1.7090 29207.29  527.184 29517.35  967.611 29076.40  628.688  174.289   2.8600  173.040   1.8717 1.249786 3.417985 
1 1 1   -8    7   16 o  170.317   1.7482 27935.31  517.093 28757.39  989.999 27626.90  606.382  171.980   2.9655  168.655   1.8522 3.324188 3.496359 
1 1 1   -8    7   17 o   78.510   1.7163  6364.78  198.179  5425.57  455.818  6583.71  220.068   74.678   3.1444   82.342   1.3768 -7.663811 3.432595 
1 1 1   -8    7   18 o  172.406   1.3874 28880.08  464.317 29041.43  655.315 28717.41  657.980  172.891   1.9526  171.922   1.9716 0.9689026 2.774852 
1 1 1   -8    7   19 o   83.658   1.0134  6795.19  164.465  6462.92  230.151  7141.92  235.106   81.568   1.4535   85.748   1.4125 -4.179802 2.026768 
1 1 1   -8    7   20 o  142.189   1.2819 19652.13  353.817 19770.56  499.247 19532.62  501.507  142.620   1.8033  141.757   1.8225 0.8630066 2.563868 
1 1 1   -8    7   21 f   50.097   0.9526  2433.03   91.982  2479.51  139.172  2396.97  122.569   50.518   1.4192   49.675   1.2711 0.8430367 1.905184 
1 1 1   -8    7   22 o   33.914   1.2064  1119.77   78.991  1103.76  117.529  1132.96  106.678   33.689   1.7972   34.139   1.6098 -0.4493942 2.412703 
1 1 1   -8    7   23 o  122.537   1.2660 14601.49  301.093 14808.77  430.259 14402.56  421.496  123.388   1.7963  121.686   1.7844 1.702301 2.531972 
1 1 1   -8    7   24 o   36.333   1.1503  1282.75   81.089  1324.49  116.814  1243.93  112.654   36.903   1.6307   35.763   1.6227 1.139469 2.300508 
1 1 1   -8    7   25 o   26.823   1.5798  700.210   82.008  717.697  121.398  685.531  111.222   27.126   2.3055   26.519   2.1606 0.6069241 3.159625 
1 1 1   -8    7   26 o   80.686   1.1727  6311.03  183.098  6671.55  272.311  6013.55  247.362   82.774   1.6947   78.597   1.6213 4.177147 2.345362 
1 1 1   -8    7   27 o   60.046   1.1012  3513.05  128.263  3412.10  183.122  3610.27  179.708   59.194   1.5937   60.898   1.5202 -1.703697 2.202447 
1 1 1   -8    7   28 o   34.361   1.4316  1157.79   94.967  1123.81  140.716  1186.22  128.695   33.882   2.1395   34.841   1.9029 -0.9592628 2.863285 
1 1 1   -8    7   29 o   58.343   1.1367  3321.33  128.658  3201.87  178.306  3451.08  185.826   57.251   1.6044   59.435   1.6106 -2.184734 2.273394 
1 1 1   -8    7   30 o   43.375   1.2951  1846.32  109.041  1868.09  155.069  1825.02  153.361   43.628   1.8310   43.122   1.8321 0.5062332 2.590229 
1 1 1   -8    7   31 o   45.491   1.2223  2045.64  107.461  1931.79  156.622  2146.92  147.714   44.253   1.8232   46.728   1.6285 -2.475044 2.444587 
1 1 1   -8    7   32 o   13.029   2.9332  165.682   89.088  283.055  133.998   72.700  119.265   15.912   4.2555   10.145   4.0380 5.766713 5.866395 
1 1 1   -8    7   33 o   15.180   3.0977  261.070   98.589  347.928  145.328  187.016  134.189   17.367   4.3267   12.992   4.4342 4.374925 6.195398 
1 1 1   -8    7   34 o   13.656   3.0753  217.190   99.958  101.677  146.849  316.918  136.447   10.960   4.4394   16.353   4.2569 -5.392766 6.150581 
1 1 1   -8    8    1 o  362.638   1.7331 127256.70  1185.65 125787.20  1504.26 129667.00  1926.56  359.910   2.1531  365.365   2.7164 -5.455292 3.466196 
1 1 1   -8    8    2 o  187.901   1.1780 34277.57  429.651 34549.11  609.304 34009.01  605.946  188.642   1.6639  187.161   1.6678 1.480423 2.355904 
1 1 1   -8    8    3 o  108.075   0.8184 11338.25  171.681 11392.73  242.619 11283.62  242.969  108.335   1.1537  107.814   1.1609 0.5201111 1.636703 
1 1 1   -8    8    4 f  146.536   1.0235 20837.38  291.086 20401.93  407.039 21293.18  416.438  144.969   1.4464  148.102   1.4485 -3.132584 2.047034 
1 1 1   -8    8    5 o  164.800   1.0763 26344.20  344.155 25641.91  478.169 27099.00  495.722  162.523   1.5157  167.077   1.5285 -4.553619 2.152540 
1 1 1   -8    8    6 o  208.210   1.2610 42081.78  509.634 41748.86  715.136 42425.32  726.459  207.374   1.7765  209.046   1.7902 -1.672913 2.522077 
1 1 1   -8    8    7 o  585.144   2.2219 332185.19  2519.29 326930.31  3448.75 338197.50  3688.98  580.197   3.0621  590.091   3.2205 -9.893921 4.443883 
1 1 1   -8    8    8 o  206.593   1.4428 41434.84  578.618 41731.66  821.024 41141.94  815.582  207.328   2.0400  205.858   2.0410 1.470139 2.885683 
1 1 1   -8    8    9 o  304.222   1.7805 89909.55  1044.43 90236.16  1399.80 89499.38  1568.69  304.853   2.3654  303.591   2.6618 1.262451 3.560998 
1 1 1   -8    8   10 o   76.642   1.7131  6149.97  188.721  6394.07  208.658  5052.65  442.400   81.160   1.3244   72.123   3.1599 9.036575 3.426236 
1 1 1   -8    8   11 o  238.751   1.6483 55371.04  723.691 55282.68  1240.83 55416.60  890.911  238.591   2.6791  238.912   1.9210 -0.3218689 3.296664 
1 1 1   -8    8   12 o  117.022   1.5858 13338.49  303.990 13220.60  630.008 13374.27  347.066  116.670   2.7818  117.374   1.5233 -0.7040482 3.171522 
1 1 1   -8    8   13 o  164.818   1.6304 26354.37  474.632 26438.70  878.150 26319.57  564.131  164.987   2.7419  164.649   1.7650 0.3384399 3.260897 
1 1 1   -8    8   14 o  390.926   1.8603 148397.00  1362.04 148664.70  2244.54 148241.00  1713.60  391.162   2.9560  390.690   2.2595 0.4719238 3.720662 
1 1 1   -8    8   15 o   88.699   1.8143  7552.48  221.096  7772.90  581.068  7515.17  239.080   89.417   3.3477   87.981   1.3999 1.435715 3.628571 
1 1 1   -8    8   16 o  199.742   1.7267 38869.55  618.454 38516.03  1110.68 39028.42  744.562  199.034   2.8747  200.450   1.9135 -1.416245 3.453332 
1 1 1   -8    8   17 o  271.989   1.8047 71887.27  905.410 71998.93  1543.57 71828.70  1117.93  272.084   2.9225  271.894   2.1181 0.1904602 3.609373 
1 1 1   -8    8   18 o  104.807   1.9785 10682.30  401.881 10720.64  585.545 10648.16  552.578  104.978   2.8734  104.635   2.7205 0.3431549 3.956972 
1 1 1   -8    8   19 o  147.118   1.2998 21034.37  371.180 20840.83  523.598 21229.89  526.267  146.437   1.8420  147.799   1.8343 -1.361359 2.599520 
1 1 1   -8    8   20 o   98.843   1.1067  9491.66  212.320  9270.78  298.514  9717.80  302.049   97.678   1.5743  100.007   1.5559 -2.328484 2.213461 
1 1 1   -8    8   21 o   26.857   1.3807  710.151   71.082  620.293  104.496  787.539   96.975   25.251   2.1318   28.463   1.7551 -3.211706 2.761361 
1 1 1   -8    8   22 o  110.541   1.2004 11880.36  257.525 11532.89  362.617 12233.94  365.794  108.908   1.7152  112.174   1.6799 -3.265350 2.400841 
1 1 1   -8    8   23 o  124.670   1.3068 15123.36  316.167 14734.74  447.408 15511.01  446.847  123.066   1.8728  126.274   1.8230 -3.207977 2.613567 
1 1 1   -8    8   24 o   99.741   1.1667  9673.94  225.864  9811.05  322.995  9542.75  315.962  100.432   1.6568   99.051   1.6433 1.381035 2.333497 
1 1 1   -8    8   25 o   63.872   1.0537  3968.10  130.241  3963.86  191.829  3971.73  177.393   63.836   1.5481   63.909   1.4299 -0.7371521E-01 2.107399 
1 1 1   -8    8   26 o   60.698   1.0756  3597.41  126.184  3422.35  184.411  3751.54  173.033   59.296   1.6021   62.100   1.4354 -2.803867 2.151102 
1 1 1   -8    8   27 o   74.575   1.1145  5409.44  160.872  5493.50  237.488  5338.16  218.688   75.101   1.6290   74.049   1.5214 1.052940 2.228987 
1 1 1   -8    8   28 o   49.264   1.1361  2367.70  108.439  2361.06  158.164  2373.59  148.962   49.191   1.6564   49.337   1.5554 -0.1458397 2.272178 
1 1 1   -8    8   29 o   31.102   1.5656  950.747   94.492  950.584  135.357  950.902  131.970   31.094   2.2425   31.110   2.1853 -0.1522636E-01 3.131215 
1 1 1   -8    8   30 o   55.305   1.1803  2999.37  126.579  2924.55  181.727  3069.89  176.412   54.620   1.7140   55.990   1.6231 -1.369343 2.360558 
1 1 1   -8    8   31 o   23.908   1.9320  566.766   88.657  700.723  133.921  462.259  118.288   26.422   2.6110   21.393   2.8483 5.028749 3.864017 
1 1 1   -8    8   32 o   20.268   2.4576  428.104   93.198  548.518  140.092  332.500  124.828   23.077   3.1273   17.458   3.7919 5.618641 4.915102 
1 1 1   -8    8   33 o   32.004   1.6942  1048.67  104.024  973.676  155.725  1109.09  139.788   30.835   2.6017   33.174   2.1708 -2.338736 3.388347 
1 1 1   -8    8   34 o   11.377   3.0787  116.396   99.011  204.002  144.295   38.449  136.109   13.189   4.5937   9.5661   4.1001 3.622417 6.157364 
1 1 1   -8    9    1 o  388.750   1.7625 146226.30  1292.06 144515.20  1638.06 149043.91  2102.02  385.779   2.1874  391.722   2.7644 -5.943604 3.525100 
1 1 1   -8    9    2 o  164.423   1.0457 26215.92  332.073 25959.92  446.674 26532.23  496.515  163.528   1.4071  165.318   1.5472 -1.789429 2.091374 
1 1 1   -8    9    3 o  261.952   1.5605 66609.03  793.347 65500.98  1109.17 67769.72  1135.21  259.723   2.2000  264.181   2.2136 -4.458954 3.120933 
1 1 1   -8    9    4 o  135.419   0.9619 17797.83  252.817 18068.58  360.857 17536.83  354.307  136.430   1.3626  134.408   1.3580 2.022461 1.923717 
1 1 1   -8    9    5 o  201.827   1.2249 39543.91  479.873 39358.52  675.265 39733.05  682.071  201.350   1.7277  202.305   1.7368 -0.9554901 2.449773 
1 1 1   -8    9    6 o  135.587   0.9838 17845.11  258.927 17782.29  364.360 17909.19  368.022  135.346   1.3868  135.828   1.3958 -0.4819489 1.967606 
1 1 1   -8    9    7 o  186.676   1.3070 33789.20  467.649 34089.74  722.419 33572.41  613.548  187.387   1.9860  185.966   1.6996 1.421005 2.613997 
1 1 1   -8    9    8 o  191.134   1.4227 35466.67  527.874 35552.97  747.073 35380.61  745.981  191.366   2.0111  190.901   2.0130 0.4644775 2.845500 
1 1 1   -8    9    9 o  126.953   1.1670 15638.01  287.522 16059.04  412.084 15238.61  401.364  128.618   1.6505  125.289   1.6503 3.328499 2.334022 
1 1 1   -8    9   10 o  220.888   1.6971 47363.77  712.975 47308.95  920.179 47446.10  1127.81  220.738   2.1475  221.038   2.6285 -0.3000488 3.394192 
1 1 1   -8    9   11 o  230.072   1.6440 51392.29  691.198 51416.43  1200.81 51380.33  845.271  230.096   2.6884  230.048   1.8928 0.4740906E-01 3.287930 
1 1 1   -8    9   12 o  131.647   1.5971 16928.24  353.665 16630.54  703.487 17028.93  409.124  130.852   2.7696  132.442   1.5913 -1.589523 3.194183 
1 1 1   -8    9   13 o  171.912   1.6512 28736.24  506.127 28604.53  919.420 28793.50  606.253  171.611   2.7600  172.212   1.8135 -0.6005554 3.302466 
1 1 1   -8    9   14 o  391.951   1.8630 149386.41  1368.59 148667.00  2247.42 149810.50  1725.41  391.155   2.9599  392.747   2.2632 -1.591766 3.725937 
1 1 1   -8    9   15 o  271.026   1.7634 71301.73  880.334 71556.30  1506.03 71169.59  1085.00  271.352   2.8591  270.699   2.0648 0.6529541 3.526762 
1 1 1   -8    9   16 o   95.539   1.7766  9111.59  250.591  8503.79  587.729  9246.63  277.035   93.495   3.2383   97.583   1.4625 -4.087433 3.553281 
1 1 1   -8    9   17 o   35.573   2.6632  1031.36   80.917  1476.01  389.401  1011.30   82.723   38.875   5.1602   32.272   1.3205 6.602024 5.326474 
1 1 1   -8    9   18 o  236.609   1.4842 54397.61  681.622 53653.53  956.704 55164.70  971.381  234.966   2.0975  238.252   2.1003 -3.285583 2.968336 
1 1 1   -8    9   19 o   87.557   1.0112  7444.46  171.825  7561.06  246.168  7333.67  239.946   88.225   1.4374   86.889   1.4226 1.336029 2.022342 
1 1 1   -8    9   20 o  230.490   1.5263 51674.05  682.887 51620.78  967.487 51726.95  964.019  230.370   2.1635  230.609   2.1535 -0.2390747 3.052576 
1 1 1   -8    9   21 o  156.082   1.4088 23694.03  426.809 23366.70  603.135 24022.37  604.064  155.000   2.0046  157.164   1.9800 -2.163559 2.817561 
1 1 1   -8    9   22 o  123.965   1.2538 14943.51  301.699 14769.58  425.377 15119.56  427.968  123.238   1.7781  124.691   1.7681 -1.452957 2.507589 
1 1 1   -8    9   23 o   43.697   1.0303  1858.34   86.879  1833.84  129.659  1878.31  117.039   43.432   1.5379   43.963   1.3715 -0.5306358 2.060582 
1 1 1   -8    9   24 o   50.878   1.0151  2518.19   99.790  2500.00  148.157  2533.29  135.007   50.706   1.5052   51.051   1.3623 -0.3448715 2.030188 
1 1 1   -8    9   25 o   41.400   1.1803  1671.99   94.088  1633.78  141.482  1702.29  125.984   40.968   1.7791   41.833   1.5514 -0.8647156 2.360511 
1 1 1   -8    9   26 o   33.808   1.4022  1107.02   91.720  1211.84  136.511  1020.76  123.836   35.257   1.9946   32.360   1.9714 2.897114 2.804440 
1 1 1   -8    9   27 o   24.222   1.9413  577.006   90.326  562.142  137.023  588.430  120.120   23.926   2.9502   24.517   2.5239 -0.5912075 3.882540 
1 1 1   -8    9   28 o   41.587   1.2590  1694.40  101.297  1556.21  144.560  1827.70  141.985   39.904   1.8662   43.271   1.6903 -3.367672 2.517967 
1 1 1   -8    9   29 o   36.890   1.4277  1334.22  102.158  1262.35  142.627  1409.93  146.392   35.865   2.0486   37.915   1.9890 -2.050407 2.855362 
1 1 1   -8    9   30 o   31.539   1.6320  982.344   99.865  1021.06  143.867  946.342  138.733   32.139   2.3060   30.940   2.3099 1.199160 3.263998 
1 1 1   -8    9   31 o   17.431   2.6668  327.369   89.386  258.143  130.132  389.208  122.993   15.356   4.2304   19.506   3.2483 -4.149401 5.333619 
1 1 1   -8    9   32 o   17.735   2.7710  341.670   92.070  373.779  141.611  318.159  121.176   18.390   4.0742   17.080   3.7569 1.309187 5.541948 
1 1 1   -8    9   33 o   11.563   3.0932  130.365   94.912  125.981  142.265  133.882  127.411   11.575   4.4678   11.551   4.2791 0.2376461E-01 6.186388 
1 1 1   -8    9   34 o   16.331   2.7633  323.230  102.265   90.904  152.388  513.587  137.939   10.816   4.4679   21.846   3.2528 -11.02972 5.526506 
1 1 1   -8   10    1 o  160.119   1.0268 24908.88  317.960 25133.79  432.524 24644.42  469.017  160.907   1.3847  159.330   1.5164 1.576828 2.053562 
1 1 1   -8   10    2 o  251.264   1.3444 61272.84  654.530 60923.25  897.672 61669.69  956.406  250.501   1.8461  252.026   1.9549 -1.525360 2.688802 
1 1 1   -8   10    3 o   70.255   0.6954  4786.36   90.447  4775.76  112.098  4806.14  153.107   70.144   0.8233   70.365   1.1209 -0.2210617 1.390765 
1 1 1   -8   10    4 o  219.214   1.3731 46674.85  579.068 46510.43  878.984 46800.94  769.704  218.868   2.0689  219.560   1.8059 -0.6914368 2.746209 
1 1 1   -8   10    5 o  168.223   1.2259 27444.16  393.631 27316.54  511.484 27629.53  616.451  167.747   1.5708  168.699   1.8824 -0.9515076 2.451712 
1 1 1   -8   10    6 o  155.037   1.1379 23343.22  340.969 23228.86  505.607 23438.61  461.774  154.688   1.6838  155.387   1.5309 -0.6993713 2.275719 
1 1 1   -8   10    7 o  102.488   0.9241 10219.11  177.788 10104.72  290.421 10287.68  224.842  102.027   1.4664  102.949   1.1251 -0.9223938 1.848273 
1 1 1   -8   10    8 o  243.558   1.5521 57592.43  733.784 57802.14  1041.49 57385.72  1034.01  243.998   2.1989  243.117   2.1910 0.8802185 3.104127 
1 1 1   -8   10    9 o  353.489   1.8610 121469.40  1272.20 122886.10  1731.22 119806.30  1875.79  355.741   2.5070  351.238   2.7512 4.502716 3.722093 
1 1 1   -8   10   10 o   56.872   1.9113  3162.76  203.837  3055.29  331.716  3227.97  258.374   56.085   3.0469   57.658   2.3085 -1.572105 3.822615 
1 1 1   -8   10   11 o  223.917   1.6320 48391.04  666.433 49540.63  1169.07 47837.64  811.132  225.860   2.6665  221.975   1.8824 3.884018 3.264002 
1 1 1   -8   10   12 o  145.936   1.6326 20701.00  405.740 20640.99  795.057 20722.13  471.802  145.775   2.8096  146.097   1.6636 -0.3220215 3.265215 
1 1 1   -8   10   13 o  231.458   1.6940 52046.27  713.221 51966.83  1249.72 52084.64  868.557  231.305   2.7833  231.611   1.9319 -0.3066254 3.388057 
1 1 1   -8   10   14 o  193.946   1.7103 36602.14  599.541 36357.21  1061.89 36716.76  726.396  193.442   2.8279  194.451   1.9244 -1.008636 3.420571 
1 1 1   -8   10   15 o   97.595   1.7027  9305.89  247.114  9171.93  582.417  9335.30  272.896   97.135   3.0888   98.056   1.4337 -0.9211731 3.405347 
1 1 1   -8   10   16 o   28.576   3.4376  875.914   73.238  743.672  353.312  881.852   74.864   27.016   6.7550   30.137   1.2797 -3.120956 6.875124 
1 1 1   -8   10   17 o   28.239   3.9211  742.550   72.702  849.353  441.171  739.568   73.709   28.881   7.7206   27.598   1.3759 1.283108 7.842195 
1 1 1   -8   10   18 o  180.201   1.3907 31555.63  486.438 31757.37  686.802 31352.56  689.059  180.780   1.9571  179.622   1.9762 1.157928 2.781301 
1 1 1   -8   10   19 o  184.038   1.4275 32932.54  509.897 32223.24  720.822 33642.96  721.386  182.052   2.0397  186.025   1.9977 -3.973770 2.855034 
1 1 1   -8   10   20 o   92.952   1.0693  8392.40  192.830  8471.02  277.820  8319.32  267.858   93.370   1.5328   92.533   1.4912 0.8370285 2.138519 
1 1 1   -8   10   21 o  133.131   1.3037 17236.23  336.875 16999.74  477.865 17469.88  474.976  132.220   1.8618  134.041   1.8254 -1.820679 2.607427 
1 1 1   -8   10   22 o   42.469   3.7297  1790.73  305.492  1588.13  437.296  1983.85  426.951   40.060   5.6234   44.877   4.9010 -4.817459 7.459386 
1 1 1   -8   10   23 o   76.551   1.0418  5701.19  154.666  5551.94  221.744  5842.60  215.837   75.572   1.5116   77.531   1.4341 -1.959084 2.083640 
1 1 1   -8   10   24 o   63.424   1.0132  3910.20  124.315  3918.57  183.654  3903.12  168.889   63.482   1.4903   63.365   1.3730 0.1165047 2.026418 
1 1 1   -8   10   25 o   59.722   1.0777  3479.12  123.750  3395.77  187.247  3543.76  164.893   59.076   1.6328   60.369   1.4071 -1.292934 2.155480 
1 1 1   -8   10   26 o   85.928   1.1700  7178.71  194.513  7305.11  288.047  7072.75  263.726   86.613   1.7132   85.243   1.5938 1.369843 2.339931 
1 1 1   -8   10   27 o   50.566   1.1050  2478.35  107.660  2583.30  163.887  2398.68  142.792   51.495   1.6395   49.637   1.4819 1.857319 2.210012 
1 1 1   -8   10   28 o   18.788   2.4054  349.723   85.322  409.283  131.675  306.615  112.022   20.304   3.3409   17.273   3.4615 3.030706 4.810769 
1 1 1   -8   10   29 o   45.056   1.2276  1979.93  107.077  2074.01  158.570  1901.08  145.174   46.029   1.7747   44.084   1.6965 1.944477 2.455116 
1 1 1   -8   10   30 o   63.768   1.1576  3986.40  143.156  3934.83  206.144  4034.44  198.954   63.355   1.6762   64.181   1.5969 -0.8262939 2.315122 
1 1 1   -8   10   31 o   22.007   2.3320  488.994   95.084  658.825  146.800  366.250  124.800   25.471   2.9690   18.543   3.5970 6.928699 4.664036 
1 1 1   -8   10   32 o   18.022   2.6681  350.323   94.053  539.409  138.245  187.386  128.330   22.876   3.1131   13.168   4.3341 9.708146 5.336289 
1 1 1   -8   10   33 o   14.730   3.0976  252.247   95.040  248.385  138.869  255.649  130.349   14.598   4.4757   14.861   4.2836 -0.2632856 6.195293 
1 1 1   -8   10   34 o   26.932   2.0239  771.601  104.247  707.106  156.614  822.908  139.688   25.695   3.1399   28.169   2.5546 -2.474258 4.047806 
1 1 1   -8   11    1 o  207.494   1.1976 41745.31  478.321 41404.75  635.213 42191.30  726.920  206.520   1.5845  208.467   1.7963 -1.946289 2.395288 
1 1 1   -8   11    2 o  211.522   1.2065 43407.88  491.233 43221.17  652.971 43651.33  745.631  211.002   1.5942  212.043   1.8115 -1.041031 2.413080 
1 1 1   -8   11    3 o  217.993   1.2153 46145.10  510.024 46219.72  679.282 46048.67  772.181  218.199   1.6037  217.788   1.8265 0.4106750 2.430654 
1 1 1   -8   11    4 o  207.783   1.2625 41914.10  509.219 41976.93  719.407 41851.02  720.885  207.939   1.7823  207.627   1.7886 0.3122864 2.525002 
1 1 1   -8   11    5 o  224.572   1.3093 48960.60  570.763 48974.96  807.779 48946.30  806.585  224.604   1.8527  224.539   1.8505 0.6565857E-01 2.618585 
1 1 1   -8   11    6 o  518.915   2.1303 261449.30  2145.04 259549.70  2989.00 263466.31  3080.14  516.975   2.9785  520.854   3.0464 -3.879150 4.260504 
1 1 1   -8   11    7 o  151.519   1.1653 22273.52  336.357 22354.06  529.772 22219.12  435.366  151.746   1.7985  151.292   1.4824 0.4537506 2.330698 
1 1 1   -8   11    8 o  316.147   1.7959 96992.09  1094.69 96544.81  1463.75 97559.73  1649.01  315.328   2.3913  316.965   2.6801 -1.637299 3.591823 
1 1 1   -8   11    9 o  206.271   1.5105 41310.09  604.814 41752.47  856.875 40870.87  853.806  207.371   2.1286  205.170   2.1438 2.201492 3.021080 
1 1 1   -8   11   10 o  212.417   1.4101 43732.37  574.750 44299.23  884.948 43318.80  755.869  213.601   2.1343  211.233   1.8434 2.367279 2.820149 
1 1 1   -8   11   11 o  151.621   2.0032 22144.29  441.625 22605.57  1080.41 22051.76  483.897  152.528   3.6490  150.714   1.6540 1.813507 4.006345 
1 1 1   -8   11   12 o  132.361   1.5628 17020.13  346.589 16996.03  696.307 17028.07  399.609  132.283   2.7116  132.439   1.5544 -0.1559906 3.125555 
1 1 1   -8   11   13 o  193.281   1.6414 36107.40  569.917 36731.92  1027.01 35829.50  685.082  194.463   2.7206  192.100   1.8372 2.363495 3.282845 
1 1 1   -8   11   14 o  360.154   1.8239 125953.20  1227.20 126210.60  2034.46 125805.90  1538.66  360.400   2.9080  359.909   2.2023 0.4915161 3.647862 
1 1 1   -8   11   15 o  107.290   1.6827 11105.66  280.203 11313.92  629.798 11054.26  312.874  107.881   3.0074  106.699   1.5106 1.182198 3.365451 
1 1 1   -8   11   16 o   87.317   1.8449  7428.05  214.328  7389.66  580.321  7434.12  230.634   87.135   3.4309   87.499   1.3579 -0.3636322 3.689838 
1 1 1   -8   11   17 o   76.805   1.8384  5361.42  172.817  6230.37  535.435  5260.37  182.589   80.006   3.4476   73.605   1.2779 6.401337 3.676835 
1 1 1   -8   11   18 o  146.628   1.8338 21325.36  455.899 20062.44  885.625 21780.69  531.769  143.536   3.1785  149.721   1.8297 -6.184784 3.667524 
1 1 1   -8   11   19 o  134.232   1.2664 17511.31  329.950 17554.00  469.570 17469.68  463.724  134.392   1.8000  134.071   1.7818 0.3213348 2.532718 
1 1 1   -8   11   20 o   66.323   0.9457  4273.10  121.526  4273.14  177.439  4273.06  166.784   66.322   1.3782   66.325   1.2954 -0.2967834E-02 1.891480 
1 1 1   -8   11   21 f  114.986   1.1994 12845.83  267.587 13094.87  385.838 12615.04  371.423  116.057   1.7126  113.915   1.6797 2.142555 2.398839 
1 1 1   -8   11   22 o   42.778   1.0045  1765.81   82.596  1864.96  127.379  1693.89  108.496   43.804   1.4980   41.752   1.3386 2.051517 2.008997 
1 1 1   -8   11   23 o   13.285   2.6403  177.380   70.097  175.882  110.343  178.394   90.766   13.308   3.9703   13.261   3.4816 0.4730415E-01 5.280614 
1 1 1   -8   11   24 o  101.192   1.2449  9976.60  244.031  9762.12  354.534 10169.70  336.404  100.147   1.8237  102.236   1.6951 -2.088928 2.489816 
1 1 1   -8   11   25 o   52.625   1.0693  2692.25  108.419  2707.82  163.874  2680.14  144.587   52.754   1.6003   52.497   1.4188 0.2564354 2.138669 
1 1 1   -8   11   26 o   23.552   1.8434  547.846   81.659  519.995  131.165  565.472  104.347   23.034   2.9335   24.069   2.2333 -1.035152 3.686873 
1 1 1   -8   11   27 o   60.442   1.0758  3549.69  125.842  3654.18  186.418  3462.21  170.572   61.251   1.5679   59.633   1.4735 1.618359 2.151630 
1 1 1   -8   11   28 o   42.660   1.2100  1777.07   99.951  1779.59  146.630  1774.89  136.605   42.680   1.7699   42.641   1.6503 0.3820801E-01 2.419909 
1 1 1   -8   11   29 o   15.660   2.8083  256.557   84.931  268.580  129.074  247.376  112.787   15.959   4.1334   15.361   3.8027 0.5983162 5.616557 
1 1 1   -8   11   30 o   65.843   1.1579  4246.77  147.309  4277.12  219.430  4221.88  198.755   66.027   1.7120   65.659   1.5594 0.3678894 2.315749 
1 1 1   -8   11   31 o   29.515   1.6215  865.264   92.421  910.697  139.210  829.457  123.586   30.174   2.3767   28.856   2.2063 1.318073 3.242921 
1 1 1   -8   11   32 o   11.832   2.9543  119.251   93.561   5.6231  131.681  235.092  132.958   9.1676   3.9814   14.497   4.3658 -5.329408 5.908619 
1 1 1   -8   11   33 f   16.158   2.7882  300.530   99.055  114.292  143.651  469.357  136.771   11.314   4.4542   21.001   3.3550 -9.687023 5.576324 
1 1 1   -8   11   34 o   10.396   2.9772   80.495   97.919  -2.5785  147.080  146.626  131.228   9.1475   4.0798   11.645   4.3370 -2.497585 5.954361 
1 1 1   -8   12    1 o   41.123   0.6089  1641.66   48.603  1652.38   68.245  1630.62   69.235   41.260   0.8521   40.987   0.8702 0.2725754 1.217893 
1 1 1   -8   12    2 o   57.751   0.4997  3237.59   55.967  3247.72   77.627  3226.62   80.766   57.845   0.6913   57.656   0.7216 0.1882706 0.9993434 
1 1 1   -8   12    3 o   71.643   0.5843  4980.68   81.144  4957.98  111.696  5006.05  118.079   71.470   0.8051   71.816   0.8470 -0.3454742 1.168589 
1 1 1   -8   12    4 o   93.086   0.7287  8411.06  131.658  8518.00  186.223  8304.19  186.163   93.678   1.0241   92.494   1.0368 1.183235 1.457321 
1 1 1   -8   12    5 o  104.556   0.7915 10609.87  160.630 10525.58  224.986 10697.51  229.408  104.133   1.1130  104.980   1.1257 -0.8468933 1.583064 
1 1 1   -8   12    6 o  209.637   1.4718 42665.93  598.943 42877.04  849.156 42456.93  844.928  210.153   2.0815  209.121   2.0814 1.032059 2.943653 
1 1 1   -8   12    7 o  181.173   1.2986 31919.39  451.073 31514.48  692.325 32218.04  594.596  180.170   1.9795  182.176   1.6814 -2.006516 2.597225 
1 1 1   -8   12    8 o   72.779   0.8283  5141.40  116.961  4920.63  164.461  5367.33  166.372   71.198   1.1899   74.360   1.1526 -3.161804 1.656634 
1 1 1   -8   12    9 o  130.039   1.0433 16405.22  252.157 16451.66  423.034 16379.62  314.044  130.179   1.6741  129.900   1.2454 0.2790070 2.086516 
1 1 1   -8   12   10 o  236.530   1.4539 54341.30  660.069 54172.21  1011.24 54466.81  871.274  236.204   2.2055  236.857   1.8950 -0.6533813 2.907764 
1 1 1   -8   12   11 o  162.863   1.2650 25779.48  396.848 25522.19  598.090 25981.85  530.437  162.133   1.9003  163.593   1.6703 -1.459442 2.530077 
1 1 1   -8   12   12 o   89.145   1.6811  7998.31  220.692  7289.65  516.144  8156.85  244.135   86.625   3.0695   91.665   1.3720 -5.040085 3.362138 
1 1 1   -8   12   13 o  296.055   1.7488 85020.20  960.513 85506.08  1619.29 84756.45  1193.07  296.676   2.8118  295.434   2.0804 1.242340 3.497696 
1 1 1   -8   12   14 o   78.986   1.7297  6128.80  181.524  5966.60  489.723  6154.63  195.447   78.349   3.2200   79.622   1.2645 -1.273529 3.459377 
1 1 1   -8   12   15 o  129.185   1.6629 16243.50  348.773 16163.00  732.697 16267.09  396.586  128.941   2.9273  129.430   1.5785 -0.4890442 3.325765 
1 1 1   -8   12   16 o   95.553   1.9085  9126.80  251.225  8525.88  642.016  9235.45  272.994   93.585   3.5341   97.522   1.4421 -3.937531 3.816966 
1 1 1   -8   12   17 o  128.152   1.7362 15700.04  361.232 16446.69  768.490 15488.27  409.264  130.024   3.0447  126.280   1.6696 3.744324 3.472440 
1 1 1   -8   12   18 o  112.901   1.8624 12185.48  307.994 12733.21  750.504 12074.55  337.745  114.312   3.3822  111.490   1.5606 2.821968 3.724866 
1 1 1   -8   12   19 o  112.562   1.1806 12313.78  257.934 12155.90  365.990 12469.58  363.569  111.844   1.6857  113.281   1.6534 -1.436485 2.361207 
1 1 1   -8   12   20 o  102.911   1.1478 10297.34  229.185 10046.24  326.386 10541.58  321.895  101.670   1.6538  104.151   1.5921 -2.481400 2.295620 
1 1 1   -8   12   21 o   48.464   3.3584  2349.42  310.295  2006.86  460.959  2633.26  419.599   45.106   5.2646   51.822   4.1711 -6.716911 6.716722 
1 1 1   -8   12   22 o   24.635   1.5567  622.939   70.318  464.961  110.146  731.616   91.357   21.840   2.5980   27.430   1.7158 -5.589094 3.113461 
1 1 1   -8   12   23 o   30.174   1.2650  852.427   72.250  1038.27  119.509  745.381   90.703   32.665   1.8848   27.684   1.6878 4.980993 2.530052 
1 1 1   -8   12   24 o   84.901   1.1450  6967.18  187.560  7407.93  284.452  6628.16  249.475   87.254   1.6794   82.549   1.5569 4.705345 2.290038 
1 1 1   -8   12   25 o   90.763   1.2314  8033.57  216.589  7701.32  311.063  8346.24  301.755   88.929   1.8019   92.597   1.6788 -3.668953 2.462775 
1 1 1   -8   12   26 o   38.967   1.2297  1481.93   92.295  1454.55  138.798  1503.62  123.574   38.635   1.8507   39.300   1.6198 -0.6646004 2.459475 
1 1 1   -8   12   27 o   50.839   1.1098  2514.77  109.180  2556.28  161.460  2479.79  148.199   51.219   1.6239   50.460   1.5130 0.7589645 2.219529 
1 1 1   -8   12   28 o   34.972   1.4152  1189.36   95.755  1309.80  142.339  1089.80  129.418   36.578   2.0047   33.366   1.9981 3.212112 2.830412 
1 1 1   -8   12   29 o   37.704   1.2955  1396.10   94.081  1370.04  141.449  1416.78  125.991   37.364   1.9502   38.045   1.7060 -0.6811409 2.591089 
1 1 1   -8   12   30 o   41.537   1.2778  1682.45  102.279  1800.90  156.172  1593.49  135.342   42.785   1.8804   40.288   1.7306 2.497822 2.555531 
1 1 1   -8   12   31 f   29.295   1.6460  861.206   92.833  831.819  139.025  884.853  124.709   28.780   2.4885   29.809   2.1552 -1.028366 3.292020 
1 1 1   -8   12   32 o   9.3600   2.7881   7.4943   93.568 -112.7947  141.692  100.513  124.600   7.8656   3.6866   10.854   4.1836 -2.988885 5.576132 
1 1 1   -8   12   33 o   19.592   2.7632  440.699  103.537  240.653  144.908  649.341  147.988   14.319   4.5979   24.865   3.0660 -10.54572 5.526447 
1 1 1   -8   12   34 o   21.088   2.4732  495.096   98.304  479.703  145.471  508.034  133.362   20.465   3.8019   21.712   3.1643 -1.247208 4.946404 
1 1 1   -8   13    1 o  230.544   1.1720 51587.45  524.416 51040.60  734.229 52156.93  749.271  229.298   1.6496  231.791   1.6652 -2.493561 2.343941 
1 1 1   -8   13    2 o  109.114   0.8436 11551.41  177.427 11511.15  237.117 11602.62  267.453  108.899   1.1217  109.329   1.2602 -0.4305344 1.687114 
1 1 1   -8   13    3 o  225.318   1.2458 49290.82  540.362 49327.29  719.474 49243.65  818.430  225.417   1.6442  225.220   1.8720 0.1972504 2.491576 
1 1 1   -8   13    4 o  233.853   1.3218 53078.38  599.487 52807.99  829.167 53374.50  867.754  233.230   1.8314  234.476   1.9065 -1.245529 2.643642 
1 1 1   -8   13    5 o  372.156   1.8609 134553.30  1341.60 133386.09  1956.41 135589.41  1843.26  370.627   2.7193  373.686   2.5411 -3.059509 3.721770 
1 1 1   -8   13    6 o  187.826   1.3188 34323.47  475.544 33732.26  725.336 34769.18  629.784  186.402   2.0046  189.251   1.7143 -2.849808 2.637649 
1 1 1   -8   13    7 o  146.242   1.1328 20780.07  315.441 20664.64  496.403 20858.25  408.530  145.898   1.7527  146.585   1.4357 -0.6869202 2.265697 
1 1 1   -8   13    8 o  393.555   2.0004 150400.00  1527.98 149308.59  2139.51 151536.20  2182.92  392.099   2.8110  395.010   2.8468 -2.911224 4.000746 
1 1 1   -8   13    9 o  130.707   1.0534 16521.16  254.708 16793.37  433.233 16377.38  314.875  131.523   1.6969  129.891   1.2488 1.632477 2.106882 
1 1 1   -8   13   10 o  302.067   1.5825 88697.05  916.092 87958.66  1409.74 89236.77  1205.26  300.968   2.4130  303.166   2.0480 -2.198669 3.164943 
1 1 1   -8   13   11 o   90.923   0.9555  8032.66  168.071  7932.06  247.258  8119.07  229.150   90.393   1.4091   91.454   1.2908 -1.060783 1.910962 
1 1 1   -8   13   12 o  170.177   1.6364 28197.61  495.410 27934.28  902.429 28311.21  592.710  169.590   2.7413  170.764   1.7881 -1.174652 3.272855 
1 1 1   -8   13   13 o   86.019   1.6865  7340.89  202.027  6966.77  511.811  7409.94  219.882   84.671   3.1139   87.366   1.2965 -2.695259 3.373063 
1 1 1   -8   13   14 o  228.258   1.7165 50367.32  712.932 51317.08  1254.60 49914.36  866.415  229.806   2.8124  226.710   1.9687 3.095352 3.433016 
1 1 1   -8   13   15 o  178.100   1.7593 31032.99  550.532 30337.81  1020.81 31318.11  653.754  176.635   2.9772  179.565   1.8755 -2.930344 3.518700 
1 1 1   -8   13   16 o  161.162   1.7532 25263.50  487.750 25208.98  935.666 25283.84  571.550  160.988   2.9941  161.336   1.8250 -0.3475647 3.506422 
1 1 1   -8   13   17 o  161.695   1.7534 25409.36  490.225 25434.19  938.694 25400.05  574.844  161.690   2.9907  161.699   1.8314 -0.9719849E-02 3.506899 
1 1 1   -8   13   18 o   55.287   2.5156  2988.50  120.753  2971.75  523.737  2989.44  124.096   55.090   4.8975   55.484   1.1522 -0.3943901 5.031216 
1 1 1   -8   13   19 o   45.359   0.9011  1985.87   78.237  2071.29  122.310  1926.72  101.785   46.177   1.3645   44.541   1.1772 1.636162 1.802123 
1 1 1   -8   13   20 o  169.699   1.4030 28000.59  462.146 28355.00  658.391 27656.37  648.860  170.757   1.9863  168.641   1.9821 2.116074 2.806062 
1 1 1   -8   13   21 o   77.211   2.5094  5847.21  374.978  5445.47  537.678  6227.63  523.216   74.593   3.7133   79.828   3.3765 -5.234550 5.018844 
1 1 1   -8   13   22 o   43.270   1.0301  1814.70   85.188  1848.22  133.220  1791.52  110.802   43.603   1.5740   42.938   1.3293 0.6641769 2.060214 
1 1 1   -8   13   23 o   92.171   1.1365  8247.15  202.436  8407.65  302.108  8116.35  272.719   92.976   1.6739   91.366   1.5377 1.610062 2.272967 
1 1 1   -8   13   24 o   50.559   1.0675  2494.17  103.449  2434.22  158.392  2538.76  136.611   50.018   1.6313   51.099   1.3772 -1.080715 2.134936 
1 1 1   -8   13   25 o  101.653   1.2721 10056.81  250.259 10164.87  369.358  9965.09  340.268  102.145   1.8628  101.161   1.7328 0.9830933 2.544118 
1 1 1   -8   13   26 o   36.305   1.2699  1262.02   87.117  1379.05  142.978  1192.92  109.866   37.607   1.9585   35.003   1.6169 2.604198 2.539751 
1 1 1   -8   13   27 o   23.748   1.9269  568.666   85.476  490.872  135.382  620.233  110.224   22.318   3.1250   25.178   2.2552 -2.860546 3.853743 
1 1 1   -8   13   28 o   78.148   1.1567  5968.41  175.247  5822.06  252.303  6104.83  243.600   77.208   1.6834   79.088   1.5867 -1.880196 2.313353 
1 1 1   -8   13   29 o   17.400   2.7094  321.706   90.974  236.112  135.162  392.602  123.010   14.991   4.3739   19.809   3.1990 -4.818146 5.418862 
1 1 1   -8   13   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   13   31 o   42.865   1.2553  1822.00  103.510  1768.68  155.906  1864.03  138.419   42.246   1.9011   43.485   1.6398 -1.238674 2.510644 
1 1 1   -8   13   32 o   16.524   2.8201  306.472   88.960  286.453  136.277  321.337  117.432   15.891   4.3091   17.156   3.6390 -1.264457 5.640100 
1 1 1   -8   13   33 o   7.9979   2.6424 -95.9617  101.341 -79.8881  148.047 -110.1341  139.016   8.3107   3.8525   7.6851   3.6177 0.6255779 5.284831 
1 1 1   -8   13   34 o   9.0120   2.8482 -24.4913  102.492   69.271  157.033 -94.0743  135.279   10.413   4.4319   7.6116   3.5786 2.800938 5.696305 
1 1 1   -8   14    1 o  143.508   0.9362 19990.98  260.802 19957.02  368.028 20025.24  369.635  143.386   1.3222  143.630   1.3257 -0.2448120 1.872413 
1 1 1   -8   14    2 o  239.846   1.2739 55858.27  587.538 55936.41  779.604 55755.54  893.878  240.044   1.6731  239.648   1.9215 0.3952789 2.547813 
1 1 1   -8   14    3 o  138.695   0.9625 18674.06  258.386 18690.30  352.418 18655.17  379.961  138.761   1.3084  138.629   1.4119 0.1317444 1.924941 
1 1 1   -8   14    4 o  118.679   0.8750 13663.91  201.041 13567.77  273.926 13776.16  295.984  118.227   1.1936  119.131   1.2799 -0.9036789 1.750086 
1 1 1   -8   14    5 o  361.357   1.6964 126900.60  1182.92 127875.00  1592.03 125699.50  1767.48  362.915   2.2599  359.800   2.5306 3.115173 3.392799 
1 1 1   -8   14    6 o   92.842   0.8840  8360.25  155.810  8398.73  248.000  8335.15  200.270   93.017   1.3735   92.666   1.1133 0.3507614 1.768048 
1 1 1   -8   14    7 o  456.643   2.0993 202520.09  1860.88 202608.41  2626.04 202430.91  2637.37  456.744   2.9618  456.543   2.9759 0.2015076 4.198664 
1 1 1   -8   14    8 o   43.111   0.5904  1822.17   41.144  1771.16   86.471  1837.10   46.778   42.716   1.0428   43.505   0.5539 -0.7891121 1.180802 
1 1 1   -8   14    9 o  100.924   0.9194  9846.84  169.394 10006.68  296.013  9769.01  206.558  101.529   1.5020  100.320   1.0607 1.208435 1.838731 
1 1 1   -8   14   10 o  174.876   1.3430 29663.24  451.996 29903.75  686.833 29479.51  600.306  175.497   2.0161  174.255   1.7747 1.242615 2.685933 
1 1 1   -8   14   11 o  276.826   1.5578 74474.20  826.588 74027.48  1271.90 74800.80  1087.56  276.097   2.3732  277.556   2.0186 -1.459137 3.115518 
1 1 1   -8   14   12 o  198.847   1.6481 38260.88  590.232 38764.59  1057.60 38033.02  711.307  199.774   2.7272  197.920   1.8514 1.854675 3.296272 
1 1 1   -8   14   13 o   54.885   1.6897  2679.23   97.702  3231.62  361.205  2635.62  101.485   57.663   3.2269   52.107   1.0033 5.555996 3.379324 
1 1 1   -8   14   14 o  234.890   1.7521 53731.64  749.800 53229.43  1307.10 53977.94  915.383  234.029   2.8772  235.750   2.0003 -1.720367 3.504203 
1 1 1   -8   14   15 o   85.408   1.8172  7391.44  209.987  6675.97  543.660  7516.89  227.654   82.830   3.3812   87.986   1.3329 -5.156303 3.634457 
1 1 1   -8   14   16 o  145.723   1.7366 20333.50  423.997 21248.50  861.248 20040.79  487.116  147.803   3.0018  143.643   1.7470 4.160812 3.473118 
1 1 1   -8   14   17 o   42.354   3.3047  2380.56  103.757  1199.30  419.264  2457.62  107.088   34.397   6.5178   50.311   1.0965 -15.91490 6.609424 
1 1 1   -8   14   18 o  124.844   2.0192 15947.60  424.176 13604.75  810.961 16829.97  497.685  118.104   3.5373  131.583   1.9484 -13.47899 4.038404 
1 1 1   -8   14   19 o   92.294   1.9722  8492.27  250.436  8019.50  642.455  8576.99  271.948   90.630   3.6518   93.958   1.4910 -3.328491 3.944460 
1 1 1   -8   14   20 o  147.008   1.3419 21012.00  382.918 21179.96  543.950 20847.00  539.138  147.591   1.8986  146.426   1.8968 1.164429 2.683740 
1 1 1   -8   14   21 o   76.236   1.0262  5659.90  151.395  5478.32  220.955  5820.60  207.855   75.076   1.5161   77.395   1.3835 -2.318848 2.052495 
1 1 1   -8   14   22 f   45.117   1.0288  1981.02   88.572  1964.00  138.311  1992.86  115.320   44.946   1.5852   45.287   1.3118 -0.3407860 2.057623 
1 1 1   -8   14   23 o  101.090   1.2326  9959.54  241.410  9547.33  347.596 10343.64  335.534   99.057   1.8077  103.123   1.6762 -4.066185 2.465207 
1 1 1   -8   14   24 o   53.058   1.0397  2755.82  105.721  2615.06  160.620  2863.43  140.430   51.845   1.5960   54.271   1.3330 -2.425705 2.079435 
1 1 1   -8   14   25 o   88.699   1.1668  7618.93  199.668  8011.98  302.385  7315.07  265.873   90.706   1.7174   86.693   1.5799 4.012650 2.333531 
1 1 1   -8   14   26 o  106.618   1.3217 11086.72  272.809 10996.51  399.854 11165.29  373.148  106.194   1.9397  107.041   1.7958 -0.8473511 2.643383 
1 1 1   -8   14   27 o   48.073   1.1692  2239.05  108.375  2371.80  164.810  2137.92  143.850   49.311   1.7218   46.835   1.5822 2.476326 2.338367 
1 1 1   -8   14   28 o   35.361   1.3943  1217.96   94.992  1275.66  144.753  1174.32  125.892   36.077   2.0670   34.644   1.8720 1.432396 2.788661 
1 1 1   -8   14   29 o   47.565   1.1784  2212.41  108.130  2236.39  162.573  2193.38  144.802   47.774   1.7530   47.356   1.5752 0.4185371 2.356772 
1 1 1   -8   14   30 o   56.539   1.1658  3133.80  127.673  3209.26  187.694  3068.82  174.177   57.154   1.6918   55.924   1.6045 1.230583 2.331604 
1 1 1   -8   14   31 o   44.820   1.2524  1983.58  108.352  2015.57  162.596  1958.03  145.320   45.103   1.8571   44.537   1.6809 0.5661697 2.504874 
1 1 1   -8   14   32 o   12.547   3.0294  164.307   87.077  197.088  138.773  143.019  111.832   13.378   4.5096   11.716   4.0461 1.662515 6.058708 
1 1 1   -8   14   33 o   11.187   3.0748  108.456   95.808  167.436  147.347   65.256  126.105   12.461   4.6046   9.9132   4.0763 2.548207 6.149642 
1 1 1   -8   14   34 o   14.236   3.2026  236.873  106.863  380.696  159.032  118.472  144.294   17.406   4.6271   11.065   4.4290 6.341585 6.405183 
1 1 1   -8   15    1 o  237.508   1.1929 54754.82  549.913 54356.29  771.284 55166.89  784.267  236.630   1.6791  238.387   1.6948 -1.757462 2.385738 
1 1 1   -8   15    2 o  330.048   1.5922 105888.40  1004.41 106497.20  1312.54 105028.00  1560.28  331.203   2.0415  328.892   2.4439 2.311188 3.184404 
1 1 1   -8   15    3 o  206.379   1.2032 41422.94  478.633 42014.56  642.505 40685.24  717.461  208.040   1.5910  204.718   1.8054 3.322311 2.406393 
1 1 1   -8   15    4 o  227.742   1.4017 50344.20  615.893 50440.54  923.703 50267.07  826.404  227.935   2.0876  227.549   1.8709 0.3860474 2.803304 
1 1 1   -8   15    5 o  251.977   1.5245 61771.25  726.345 62213.50  929.312 61076.95  1164.41  253.147   1.8911  250.807   2.3917 2.340729 3.049020 
1 1 1   -8   15    6 o  240.477   1.9851 56085.99  925.493 54768.77  1271.91 57568.16  1349.20  237.483   2.7590  243.472   2.8547 -5.988953 3.970101 
1 1 1   -8   15    7 o  232.031   2.3876 52103.25  1005.66 51747.89  1220.15 52856.07  1775.91  230.837   2.7230  233.225   3.9227 -2.387894 4.775118 
1 1 1   -8   15    8 o  293.848   2.4974 84275.65  1385.01 85586.15  1770.54 82209.30  2223.25  296.841   3.0727  290.856   3.9377 5.984161 4.994705 
1 1 1   -8   15    9 o  110.323   0.9927 11716.50  200.850 12113.80  349.228 11520.14  245.518  111.706   1.6105  108.940   1.1610 2.766136 1.985369 
1 1 1   -8   15   10 o  114.351   1.0776 12725.27  238.434 12237.56  347.438 13159.43  327.812  112.274   1.5942  116.428   1.4504 -4.154427 2.155256 
1 1 1   -8   15   11 o  201.697   1.4249 39476.71  552.222 39665.41  844.168 39335.55  730.109  202.113   2.1516  201.282   1.8686 0.8314667 2.849779 
1 1 1   -8   15   12 o  210.383   1.6720 42770.95  637.299 43584.86  1130.93 42392.22  771.453  211.819   2.7505  208.947   1.9020 2.871674 3.344033 
1 1 1   -8   15   13 o  265.016   1.7455 67994.31  850.316 68937.30  1464.62 67514.88  1044.34  266.362   2.8326  263.669   2.0404 2.693237 3.490989 
1 1 1   -8   15   14 o  176.673   1.7255 30324.28  539.833 30333.37  993.573 30320.47  643.023  176.654   2.8974  176.692   1.8748 -0.3820801E-01 3.451057 
1 1 1   -8   15   15 o   45.253   2.0287  1751.10   78.940  2276.42  369.311  1725.95   80.808   48.342   3.9355   42.164   0.9873 6.177498 4.057474 
1 1 1   -8   15   16 o  162.493   1.7465 25441.53  489.369 26150.41  947.270 25183.47  571.545  163.971   2.9761  161.016   1.8286 2.955261 3.492946 
1 1 1   -8   15   17 o   59.787   2.5220  4246.73  153.641  2657.38  494.951  4416.21  161.625   52.135   4.8906   67.438   1.2346 -15.30310 5.044077 
1 1 1   -8   15   18 f   80.036   2.0454  6303.31  195.715  6156.57  596.638  6321.00  207.179   79.401   3.8710   80.671   1.3230 -1.270615 4.090814 
1 1 1   -8   15   19 o  126.795   2.0441 16001.17  399.173 15111.49  888.471 16226.18  446.807  124.387   3.6796  129.202   1.7815 -4.815544 4.088197 
1 1 1   -8   15   20 o   90.738   1.0611  7999.85  186.766  7603.37  262.294  8407.60  265.999   88.456   1.5276   93.020   1.4731 -4.564461 2.122143 
1 1 1   -8   15   21 o   91.279   1.0796  8094.67  190.869  8153.14  279.765  8043.75  261.063   91.583   1.5737   90.975   1.4783 0.6084061 2.159111 
1 1 1   -8   15   22 o   74.425   1.0318  5357.46  147.641  5569.07  226.839  5201.93  194.471   75.688   1.5439   73.163   1.3693 2.524796 2.063662 
1 1 1   -8   15   23 o   62.062   1.0162  3764.91  121.036  3597.01  183.272  3894.78  161.188   60.820   1.5523   63.304   1.3117 -2.484299 2.032314 
1 1 1   -8   15   24 o   52.381   1.0274  2646.12  102.211  2773.42  164.032  2565.33  130.682   53.393   1.5826   51.370   1.3105 2.023289 2.054796 
1 1 1   -8   15   25 o   40.346   1.1900  1605.57   91.540  1457.49  139.467  1717.65  121.333   38.676   1.8577   42.015   1.4877 -3.339428 2.379935 
1 1 1   -8   15   26 o   46.103   1.1544  2063.47  100.793  2099.50  161.988  2040.70  128.754   46.414   1.7979   45.792   1.4484 0.6215858 2.308788 
1 1 1   -8   15   27 o   92.758   1.2540  8375.57  225.303  8718.95  332.083  8082.71  306.685   94.504   1.8102   91.012   1.7359 3.492104 2.508058 
1 1 1   -8   15   28 o   56.774   1.1432  3149.16  125.775  3128.36  183.000  3167.77  173.154   56.586   1.6660   56.963   1.5659 -0.3771553 2.286438 
1 1 1   -8   15   29 o   51.288   1.1657  2573.49  115.659  2595.66  171.143  2554.85  156.913   51.474   1.7128   51.102   1.5818 0.3713341 2.331494 
1 1 1   -8   15   30 o   16.658   2.5577  270.169   83.087  449.301  133.268  156.266  106.269   21.014   3.2670   12.302   3.9362 8.712756 5.115343 
1 1 1   -8   15   31 o   15.495   2.8888  266.429   87.746  261.230  132.902  270.446  116.829   15.293   4.2982   15.696   3.8609 -0.4030304 5.777657 
1 1 1   -8   15   32 o   28.044   1.8182  795.763   97.834  835.754  151.646  767.250  128.046   28.557   2.7356   27.532   2.3959 1.025126 3.636443 
1 1 1   -8   15   33 o   8.4698   2.7015 -27.4303   92.878 -44.9682  146.361 -15.6064  120.176   8.6601   3.9461   8.2795   3.6906 0.3805923 5.402972 
1 1 1   -8   15   34 o   19.764   2.8733  457.990  106.357  550.694  159.144  383.167  142.975   21.729   3.9171   17.800   4.2048 3.928865 5.746661 
1 1 1   -8   16    1 o  115.662   0.9353 12967.83  205.234 13069.94  327.502 12901.79  263.361  116.035   1.4540  115.289   1.1768 0.7461166 1.870533 
1 1 1   -8   16    2 o   79.886   0.6453  6194.20  100.073  6240.07  141.965  6148.89  141.089   80.180   0.9121   79.592   0.9132 0.5879745 1.290684 
1 1 1   -8   16    3 o  147.134   1.0028 20989.79  285.090 20763.56  384.218 21266.92  425.253  146.254   1.3533  148.014   1.4801 -1.760422 2.005513 
1 1 1   -8   16    4 o   85.038   0.8221  7042.18  128.481  7090.79  158.310  6948.39  219.912   85.471   0.9542   84.605   1.3390 0.8650589 1.644202 
1 1 1   -8   16    5 o  250.862   2.0138 61112.01  980.492 60926.28  1372.96 61305.33  1400.70  250.474   2.8238  251.249   2.8719 -0.7755280 4.027631 
1 1 1   -8   16    6 o  237.328   1.9783 54674.03  911.040 53788.73  1267.72 55619.58  1310.14  235.344   2.7749  239.313   2.8202 -3.969513 3.956526 
1 1 1   -8   16    7 o   44.156   0.6128  1896.18   45.264  1885.26   91.056  1899.77   52.167   44.071   1.0644   44.241   0.6074 -0.1705971 1.225513 
1 1 1   -8   16    8 o  161.467   1.4315 25423.49  439.962 24734.97  688.918 25897.70  571.738  159.607   2.2236  163.327   1.8033 -3.719254 2.862906 
1 1 1   -8   16    9 o   43.866   0.6236  1843.37   42.104  1907.93   96.071  1828.03   46.842   44.334   1.1163   43.398   0.5560 0.9365921 1.247128 
1 1 1   -8   16   10 o  177.475   1.3727 30522.81  468.884 31028.17  713.774 30139.19  621.887  178.761   2.0569  176.189   1.8183 2.571625 2.745409 
1 1 1   -8   16   11 o  276.007   1.5678 74151.07  829.686 72809.18  1271.31 75146.62  1095.03  273.816   2.3918  278.197   2.0277 -4.381592 3.135674 
1 1 1   -8   16   12 f  132.327   1.6477 17007.60  357.367 17005.72  741.644 17008.17  407.838  132.298   2.8879  132.356   1.5874 -0.5769348E-01 3.295380 
1 1 1   -8   16   13 o  131.704   1.7029 17019.17  371.181 16526.06  753.960 17176.92  426.439  130.403   2.9785  133.005   1.6517 -2.602097 3.405777 
1 1 1   -8   16   14 o  183.803   1.7040 32624.37  557.076 33333.07  1022.78 32325.44  664.254  185.172   2.8454  182.433   1.8757 2.738190 3.408000 
1 1 1   -8   16   15 o  103.044   1.7728 10504.33  277.304 10028.44  631.192 10618.15  308.690  101.524   3.2028  104.565   1.5208 -3.041481 3.545523 
1 1 1   -8   16   16 f   88.862   1.8817  7681.85  221.636  7671.39  603.334  7683.48  238.298   88.770   3.5013   88.953   1.3800 -0.1826477 3.763433 
1 1 1   -8   16   17 o  176.718   1.7990 30389.34  558.628 30346.02  1041.15 30406.85  661.986  176.548   3.0380  176.888   1.9279 -0.3397675 3.598068 
1 1 1   -8   16   18 o  104.743   1.8914 10599.78  288.919 10803.52  703.484 10558.44  316.877  105.240   3.4436  104.246   1.5659 0.9943390 3.782888 
1 1 1   -8   16   19 o  104.382   1.9650 10540.81  285.634 10720.88  735.750 10508.85  309.944  104.768   3.6177  103.995   1.5353 0.7730026 3.930040 
1 1 1   -8   16   20 o   95.930   1.1202  8953.86  208.360  8557.84  296.718  9339.11  292.655   93.831   1.6290   98.029   1.5379 -4.197311 2.240309 
1 1 1   -8   16   21 o   63.491   2.8268  3959.83  347.611  3769.58  500.389  4137.27  483.251   61.989   4.1584   64.994   3.8303 -3.005177 5.653653 
1 1 1   -8   16   22 o   16.826   2.2682  336.613   66.336  149.551  113.535  433.574   81.740   12.546   4.0740   21.106   1.9951 -8.560189 4.536302 
1 1 1   -8   16   23 o   39.078   1.1432  1487.71   82.836  1477.25  139.341  1493.42  103.015   38.960   1.8425   39.197   1.3539 -0.2372322 2.286406 
1 1 1   -8   16   24 o   46.257   0.8877  2070.30   76.411  2046.94   95.083  2112.90  128.395   45.899   1.0672   46.614   1.4189 -0.7149315 1.775446 
1 1 1   -8   16   25 o   55.506   0.8574  2999.06   89.006  3009.69  111.902  2980.76  146.852   55.652   1.0358   55.360   1.3665 0.2926788 1.714751 
1 1 1   -8   16   26 o   63.674   0.8822  3969.00  105.864  4055.39  135.262  3832.44  170.075   64.590   1.0788   62.757   1.3961 1.832912 1.764332 
1 1 1   -8   16   27 o   74.133   0.9686  5385.43  133.030  5464.05  165.746  5243.10  223.016   74.938   1.1394   73.327   1.5668 1.611183 1.937264 
1 1 1   -8   16   28 o   39.953   1.0435  1582.98   76.291  1637.57   94.326  1479.71  129.729   41.003   1.1851   38.902   1.7179 2.101540 2.087012 
1 1 1   -8   16   29 o   19.465   2.3785  378.853   86.991  472.513  133.472  309.688  114.698   21.708   3.1674   17.221   3.5491 4.487070 4.756904 
1 1 1   -8   16   30 o   42.799   1.2363  1807.18  101.657  1779.66  154.590  1828.15  134.935   42.465   1.8754   43.133   1.6116 -0.6678810 2.472682 
1 1 1   -8   16   31 o   19.307   2.2514  378.388   83.380  426.032  130.637  345.638  108.311   20.265   3.3208   18.349   3.0408 1.916315 4.502734 
1 1 1   -8   16   32 o   14.131   2.7777  210.507   97.871  -4.1575  143.174  398.804  134.093   9.2569   4.0822   19.005   3.7679 -9.747599 5.555370 
1 1 1   -8   16   33 o   35.603   1.5905  1270.12  108.296  1404.23  171.370  1180.95  139.733   37.043   2.3832   34.163   2.1070 2.879585 3.181093 
1 1 1   -8   16   34 o   20.351   2.7204  471.931  102.407  560.423  160.376  411.011  133.067   21.901   3.9161   18.801   3.7771 3.099974 5.440799 
1 1 1   -8   17    1 o  199.163   1.1057 38504.63  427.423 38437.40  599.557 38574.11  609.501  198.987   1.5522  199.340   1.5751 -0.3530884 2.211396 
1 1 1   -8   17    2 o  268.295   1.3868 69977.14  713.076 69286.78  1096.81 70482.58  938.483  267.142   2.1151  269.448   1.7943 -2.306885 2.773609 
1 1 1   -8   17    3 o  298.222   1.5412 86367.55  877.694 86452.56  1143.18 86245.50  1369.83  298.409   1.9735  298.034   2.3677 0.3752747 3.082359 
1 1 1   -8   17    4 o  150.629   1.0431 22044.70  303.952 22267.78  414.107 21784.14  447.543  151.457   1.4085  149.801   1.5391 1.655869 2.086280 
1 1 1   -8   17    5 o  127.299   1.0349 15731.22  255.733 15767.44  361.134 15694.79  362.191  127.447   1.4597  127.152   1.4674 0.2940750 2.069803 
1 1 1   -8   17    6 f  171.975   1.6445 28707.38  548.870 28201.82  766.911 29238.26  785.876  170.424   2.3182  173.527   2.3330 -3.102890 3.288936 
1 1 1   -8   17    7 o   91.557   2.2031  7637.22  235.478  7517.42  247.382  8792.85  768.339   88.000   1.4482   95.115   4.1614 -7.115570 4.406171 
1 1 1   -8   17    8 o  147.767   2.3310 21385.36  553.884 21523.97  628.189 20901.24  1174.03  148.888   2.1735  146.646   4.1242 2.242371 4.661929 
1 1 1   -8   17    9 o  172.283   1.5362 28864.45  502.914 28607.07  795.539 29035.78  649.063  171.635   2.3878  172.932   1.9335 -1.296860 3.072439 
1 1 1   -8   17   10 o  152.577   1.3696 22605.28  405.562 22715.13  568.350 22491.31  578.899  152.956   1.9142  152.199   1.9594 0.7566833 2.739239 
1 1 1   -8   17   11 o  238.006   1.5021 55014.93  685.779 54956.02  1053.75 55058.22  903.231  237.887   2.2819  238.126   1.9540 -0.2385712 3.004228 
1 1 1   -8   17   12 o  272.899   1.7344 72245.91  873.990 72648.27  1488.27 72034.12  1079.79  273.445   2.8038  272.353   2.0424 1.092072 3.468827 
1 1 1   -8   17   13 o  353.004   1.8316 120716.20  1201.91 122322.60  2020.83 119837.00  1495.10  354.762   2.9344  351.246   2.1928 3.516327 3.663230 
1 1 1   -8   17   14 o   83.487   1.9332  7392.14  223.449  5918.33  544.433  7690.69  245.038   77.978   3.5967   88.996   1.4184 -11.01825 3.866322 
1 1 1   -8   17   15 o  178.839   1.7154 30873.60  539.350 31588.54  1010.46 30588.75  637.806  180.225   2.8883  177.454   1.8516 2.771042 3.430816 
1 1 1   -8   17   16 o  127.721   1.8255 16112.86  375.356 15409.54  789.778 16318.08  426.618  125.828   3.2334  129.614   1.6956 -3.785721 3.651029 
1 1 1   -8   17   17 o   20.875   3.6903  443.965   61.198  353.045  358.718  446.690   62.108   20.305   7.2283   21.444   1.4920 -1.139050 7.380662 
1 1 1   -8   17   18 o   93.872   2.0517  8457.20  243.257  8751.53  706.472  8417.61  259.101   94.657   3.8448   93.086   1.4339 1.570892 4.103501 
1 1 1   -8   17   19 o   73.009   2.1383  4881.54  162.207  5582.26  600.449  4826.38  168.471   75.528   4.0955   70.491   1.2312 5.037170 4.276537 
1 1 1   -8   17   20 o   94.473   1.1174  8679.19  204.726  8231.72  288.888  9130.64  290.170   92.023   1.6172   96.924   1.5423 -4.901093 2.234715 
1 1 1   -8   17   21 o   91.431   1.0644  8117.98  188.790  8325.95  272.915  7927.14  261.435   92.551   1.5191   90.310   1.4913 2.241409 2.128740 
1 1 1   -8   17   22 o   67.836   0.8252  4477.88  104.395  4496.84  130.766  4444.58  173.352   68.043   0.9900   67.628   1.3205 0.4149094 1.650406 
1 1 1   -8   17   23 o  109.601   1.1001 11753.35  226.329 11967.87  287.128 11401.35  367.804  110.959   1.3330  108.242   1.7505 2.717018 2.200262 
1 1 1   -8   17   24 o   78.295   0.9136  5989.59  134.019  6078.06  169.408  5841.62  219.098   79.088   1.1035   77.502   1.4563 1.586823 1.827167 
1 1 1   -8   17   25 f   57.043   0.8609  3127.77   91.403  3041.93  113.352  3287.35  154.549   55.949   1.0437   58.137   1.3695 -2.187641 1.721838 
1 1 1   -8   17   26 o   21.147   4.2099  553.265   79.874  566.214   80.530 -232.7052  627.413   24.104   1.7211   18.189   8.2420 5.914991 8.419808 
1 1 1   -8   17   27 o   31.185   1.1870  939.528   68.887  915.961   85.474  983.207  116.366   30.656   1.4363   31.714   1.8902 -1.057438 2.374005 
1 1 1   -8   17   28 o   44.056   0.9842  1847.23   77.597  1778.21   92.389  2012.51  142.968   42.733   1.1138   45.378   1.6230 -2.645096 1.968426 
1 1 1   -8   17   29 o   28.716   1.2416  801.940   65.854  786.757   81.114  831.299  112.795   28.366   1.4731   29.067   1.9990 -0.7016277 2.483196 
1 1 1   -8   17   30 o   35.927   1.0795  1244.42   71.600  1195.80   87.757  1341.23  123.829   34.955   1.2933   36.899   1.7288 -1.944328 2.159044 
1 1 1   -8   17   31 o   10.774   2.6727  114.454   67.380  122.402   82.483   98.511  116.820   10.851   3.4673   10.697   4.0684 0.1541138 5.345493 
1 1 1   -8   17   32 o   33.416   1.5966  1097.15  101.934  1311.29  162.751  958.924  130.757   35.983   2.3301   30.849   2.1835 5.133751 3.193266 
1 1 1   -8   17   33 o   27.678   2.0163  801.073  107.325  949.411  156.059  667.959  147.835   30.238   2.6587   25.118   3.0320 5.120108 4.032532 
1 1 1   -8   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   18    1 o  161.304   1.0198 25258.09  319.312 25484.42  451.464 25031.54  451.685  162.027   1.4354  160.581   1.4490 1.446350 2.039621 
1 1 1   -8   18    2 o  147.287   0.9753 21056.86  278.801 20963.39  390.700 21153.83  397.967  146.955   1.3696  147.620   1.3888 -0.6656799 1.950527 
1 1 1   -8   18    3 o  311.182   1.5002 94028.94  904.064 93851.08  1324.33 94184.16  1237.19  310.902   2.1944  311.461   2.0463 -0.5585022 3.000420 
1 1 1   -8   18    4 o  158.848   1.0669 24515.68  327.698 24742.00  445.408 24248.62  483.845  159.649   1.4372  158.046   1.5771 1.602356 2.133740 
1 1 1   -8   18    5 o  264.154   2.0887 67720.66  1070.27 66526.51  1480.79 69026.82  1548.67  261.720   2.9147  266.588   2.9926 -4.868042 4.177465 
1 1 1   -8   18    6 o  184.626   1.7289 33096.86  619.605 32802.53  870.771 33398.71  881.842  183.795   2.4406  185.458   2.4495 -1.662369 3.457876 
1 1 1   -8   18    7 o  154.737   2.3202 23260.54  579.015 23261.54  656.378 23257.02  1229.34  154.781   2.1846  154.692   4.0939 0.8908081E-01 4.640328 
1 1 1   -8   18    8 o  210.773   2.3917 43364.07  898.885 43679.58  1078.27 42645.29  1627.49  212.077   2.6192  209.468   4.0025 2.608658 4.783351 
1 1 1   -8   18    9 o   91.454   0.9659  8121.58  164.181  8111.77  275.164  8127.00  204.589   91.409   1.5507   91.500   1.1519 -0.9047699E-01 1.931720 
1 1 1   -8   18   10 o  123.686   3.1828 14882.05  756.200 14914.95  1000.37 14838.19  1155.10  123.863   4.1606  123.509   4.8178 0.3532715 6.365695 
1 1 1   -8   18   11 o  190.491   1.3850 35180.50  507.278 35633.98  774.795 34840.26  671.120  191.558   2.0836  189.424   1.8252 2.133774 2.769971 
1 1 1   -8   18   12 o   50.373   2.0133  2765.05   98.459  2137.07  355.369  2817.27  102.471   46.874   3.9056   53.873   0.9799 -6.998707 4.026613 
1 1 1   -8   18   13 o   42.789   2.2453  2034.15   79.727  1516.27  336.707  2064.92   82.061   39.457   4.3961   46.121   0.9166 -6.664684 4.490635 
1 1 1   -8   18   14 o  129.000   2.1863 16651.94  383.469 15541.26  995.182 16845.61  415.558  126.297   4.0592  131.702   1.6255 -5.404678 4.372576 
1 1 1   -8   18   15 f   84.031   1.9893  7218.69  212.360  6408.00  589.415  7339.62  227.649   81.120   3.7431   86.941   1.3489 -5.821312 3.978700 
1 1 1   -8   18   16 f   72.931   1.9098  5146.65  162.515  5207.03  513.983  5139.94  171.303   73.106   3.6219   72.756   1.2129 0.3498993 3.819556 
1 1 1   -8   18   17 o   38.879   2.8928  1566.31   78.919  1382.70  414.504  1573.21   80.389   37.506   5.6934   40.252   1.0288 -2.746323 5.785570 
1 1 1   -8   18   18 o   98.734   1.9653  9609.36  267.520  9330.31  689.482  9658.81  290.259   97.761   3.6332   99.708   1.4997 -1.946480 3.930556 
1 1 1   -8   18   19 o   96.497   1.6749  9191.95  255.346  8839.65  552.024  9287.85  288.011   95.225   2.9863   97.768   1.5176 -2.542244 3.349816 
1 1 1   -8   18   20 o   32.245   0.8857  1007.13   55.148  982.285   73.878  1038.39   82.878   31.799   1.1968   32.692   1.3060 -0.8927746 1.771438 
1 1 1   -8   18   21 o   84.938   0.8912  6943.58  141.411  6774.39  176.338  7248.44  236.705   83.513   1.0877   86.363   1.4119 -2.849991 1.782351 
1 1 1   -8   18   22 o   42.558   3.1707  1991.78   85.881  2005.52   87.275  1571.99  482.437   45.440   0.9894   39.677   6.2638 5.763416 6.341482 
1 1 1   -8   18   23 o   54.334   0.8142  2822.14   83.234  2689.60  104.368  3053.72  137.960   52.616   1.0218   56.051   1.2680 -3.434383 1.628458 
1 1 1   -8   18   24 o   64.409   0.8544  4007.49  102.656  3943.83  128.000  4122.25  171.860   63.709   1.0350   65.108   1.3598 -1.399094 1.708879 
1 1 1   -8   18   25 o   44.880   1.1045  1954.07   94.308  1992.27  149.641  1928.90  121.467   45.230   1.7043   44.529   1.4052 0.7012405 2.208958 
1 1 1   -8   18   26 o  110.115   1.1609 11803.68  241.125 11767.60  306.529 11862.25  390.535  109.945   1.4363  110.285   1.8242 -0.3399506 2.321776 
1 1 1   -8   18   27 o   39.513   1.0348  1489.76   75.314  1424.06   91.959  1623.60  131.256   38.243   1.2387   40.782   1.6580 -2.539642 2.069638 
1 1 1   -8   18   28 f   23.984   1.5062  570.362   67.320  584.090   84.748  546.886  110.824   24.423   1.7876   23.545   2.4248 0.8779278 3.012493 
1 1 1   -8   18   29 o   63.464   0.9418  3914.96  109.630  3875.86  134.286  3993.11  189.837   63.056   1.0971   63.872   1.5311 -0.8162498 1.883571 
1 1 1   -8   18   30 o   54.153   0.9206  2844.31   92.879  2776.92  115.451  2967.95  156.371   53.316   1.1155   54.990   1.4649 -1.674660 1.841273 
1 1 1   -8   18   31 o   24.454   1.7265  646.228   71.422  707.005   85.317  503.875  130.572   26.761   1.6423   22.146   3.0373 4.615528 3.452916 
1 1 1   -8   18   32 o   28.956   1.4643  867.396   75.795  913.139   92.499  773.917  132.230   30.364   1.5693   27.548   2.4727 2.815893 2.928628 
1 1 1   -8   18   33 o   12.313   3.2218  167.953  103.434  127.557  155.950  199.680  138.208   11.568   4.6132   13.058   4.4987 -1.490043 6.443632 
1 1 1   -8   19    1 o  182.829   1.1723 32494.78  411.626 32763.50  545.116 32138.29  627.871  183.712   1.5286  181.945   1.7777 1.767090 2.344531 
1 1 1   -8   19    2 o  164.031   1.0164 26117.35  323.622 25998.55  454.351 26239.69  461.064  163.652   1.4302  164.409   1.4447 -0.7569122 2.032882 
1 1 1   -8   19    3 o   48.350   0.6544  2253.00   59.611  2204.14   75.302  2335.04   97.563   47.653   0.8140   49.047   1.0247 -1.393890 1.308718 
1 1 1   -8   19    4 o  200.493   1.3890 39060.04  533.951 39241.32  703.116 38813.08  820.684  201.048   1.8016  199.938   2.1145 1.109604 2.777967 
1 1 1   -8   19    5 f  154.453   1.5455 23167.37  463.286 23459.00  651.165 22868.43  659.281  155.438   2.1581  153.467   2.2130 1.970490 3.091098 
1 1 1   -8   19    6 o  229.328   1.9584 51078.27  871.766 51387.71  1228.60 50764.48  1237.17  230.028   2.7515  228.627   2.7876 1.401001 3.916826 
1 1 1   -8   19    7 o  239.581   2.5068 55873.03  1090.04 56062.49  1325.67 55477.56  1915.28  240.254   2.8425  238.908   4.1299 1.346664 5.013551 
1 1 1   -8   19    8 o   38.314   3.2826  1110.71   84.985  1092.85   86.067  1807.91  537.713   33.553   1.3214   43.074   6.4308 -9.521843 6.565174 
1 1 1   -8   19    9 o  148.130   2.3271 20974.16  539.486 20741.89  603.161 21903.28  1206.35  146.156   2.1259  150.104   4.1402 -3.948029 4.654101 
1 1 1   -8   19   10 o  262.972   2.6021 67534.91  1255.72 68205.78  1546.20 66235.22  2152.13  264.962   3.0062  260.982   4.2481 3.980499 5.204177 
1 1 1   -8   19   11 o   79.574   1.8891  6087.08  285.231  6449.52  460.058  5860.78  363.532   81.471   2.9090   77.677   2.4109 3.793999 3.778193 
1 1 1   -8   19   12 o  225.441   1.4927 49438.71  646.518 48821.54  984.538 49906.62  857.251  224.191   2.2623  226.692   1.9481 -2.500565 2.985464 
1 1 1   -8   19   13 o   41.680   2.6293  2171.16   86.128  1225.06  355.665  2230.09   88.770   35.430   5.1713   47.930   0.9541 -12.49928 5.258605 
1 1 1   -8   19   14 o  173.132   1.7514 29096.64  531.240 29226.77  996.492 29044.96  627.910  173.348   2.9614  172.916   1.8707 0.4311371 3.502718 
1 1 1   -8   19   15 o   67.313   2.0183  4735.74  155.053  4010.92  480.152  4820.12  163.830   64.168   3.8547   70.459   1.1978 -6.290787 4.036551 
1 1 1   -8   19   16 o   58.801   2.1904  3518.77  125.978  3192.72  470.314  3543.97  130.756   57.188   4.2366   60.414   1.1150 -3.226654 4.380881 
1 1 1   -8   19   17 o   92.978   1.9644  8355.17  236.832  8501.90  664.391  8333.81  253.484   93.333   3.6671   92.624   1.4098 0.7081299 3.928785 
1 1 1   -8   19   18 o  118.090   1.2006 13543.01  275.103 13971.51  395.515 13141.40  382.901  119.898   1.6994  116.282   1.6963 3.616127 2.401115 
1 1 1   -8   19   19 o   83.663   0.9736  6796.06  158.075  6981.09  226.874  6621.49  220.373   84.769   1.3787   82.557   1.3751 2.211845 1.947280 
1 1 1   -8   19   20 o  140.087   1.3143 19087.11  357.402 19045.88  503.505 19128.98  507.402  139.936   1.8536  140.239   1.8639 -0.3032990 2.628652 
1 1 1   -8   19   21 o   41.357   0.7670  1645.57   59.650  1599.91   75.019  1724.07   98.361   40.588   0.9521   42.126   1.2028 -1.537933 1.534080 
1 1 1   -8   19   22 o   76.386   0.8807  5636.14  124.657  5558.39  154.232  5782.63  211.697   75.644   1.0504   77.129   1.4139 -1.484566 1.761387 
1 1 1   -8   19   23 o   39.720   0.8619  1499.43   65.127  1375.34   82.852  1700.09  105.360   37.621   1.1345   41.819   1.2979 -4.198650 1.723840 
1 1 1   -8   19   24 o   44.148   0.8659  1904.43   72.346  1939.32   92.980  1850.89  115.171   44.671   1.0722   43.624   1.3600 1.047218 1.731880 
1 1 1   -8   19   25 o   11.857   2.4889  133.861   59.753  113.270   74.722  170.384   99.514   10.722   3.2824   12.993   3.7422 -2.270947 4.977789 
1 1 1   -8   19   26 o   32.175   1.1384  1012.91   68.874  1025.47   87.473  992.418  111.724   32.456   1.3884   31.895   1.8045 0.5604935 2.276817 
1 1 1   -8   19   27 o   24.154   1.5413  608.365   66.344  684.675   82.557  469.238  111.473   26.485   1.6058   21.823   2.6314 4.662066 3.082661 
1 1 1   -8   19   28 o   72.935   0.9770  5172.06  129.921  5134.17  158.294  5250.29  227.421   72.596   1.1233   73.273   1.5989 -0.6773987 1.954025 
1 1 1   -8   19   29 o   40.181   1.0232  1610.92   76.393  1698.95   96.655  1464.40  124.696   41.724   1.1934   38.639   1.6625 3.085758 2.046473 
1 1 1   -8   19   30 o   27.177   1.4309  740.082   71.268  755.412   88.003  710.870  121.480   27.694   1.6370   26.660   2.3473 1.033567 2.861788 
1 1 1   -8   19   31 o   25.884   1.4754  665.112   71.749  653.806   90.439  684.313  117.859   25.677   1.8145   26.091   2.3271 -0.4140549 2.950843 
1 1 1   -8   19   32 o   10.276   2.6957  101.621   73.621  137.597   87.571   14.903  135.958   11.261   3.5700   9.2903   4.0402 1.970917 5.391452 
1 1 1   -8   19   33 o   32.960   1.3850  1129.58   81.122  1186.36   98.521  1010.05  142.954   34.568   1.4682   31.353   2.3489 3.214846 2.769983 
1 1 1   -8   20    1 o  102.572   0.7688 10210.89  153.056 10405.87  217.891 10020.97  215.046  103.538   1.0841  101.605   1.0903 1.932976 1.537550 
1 1 1   -8   20    2 o  169.546   1.1178 27827.52  362.800 27444.86  473.631 28370.83  564.367  168.142   1.4511  170.950   1.7007 -2.807663 2.235638 
1 1 1   -8   20    3 o  333.677   1.4741 108089.90  954.505 107600.30  1332.49 108605.90  1367.96  332.902   2.0620  334.451   2.1070 -1.549622 2.948114 
1 1 1   -8   20    4 o  359.176   2.0268 125838.80  1273.11 126556.60  1505.76 124039.10  2384.18  361.032   2.1485  357.321   3.4373 3.711029 4.053534 
1 1 1   -8   20    5 o  379.296   2.6578 139844.00  1941.99 139370.59  2930.33 140214.70  2593.24  378.696   3.9862  379.895   3.5165 -1.198730 5.315619 
1 1 1   -8   20    6 o  218.452   1.9223 46334.46  815.003 45793.54  1138.56 46902.90  1167.15  217.146   2.7011  219.759   2.7360 -2.612717 3.844678 
1 1 1   -8   20    7 o  322.098   2.6589 101195.90  1613.24 102378.20  2053.84 99291.34  2606.68  324.616   3.2593  319.580   4.2019 5.036499 5.317814 
1 1 1   -8   20    8 o  128.289   2.5111 16764.69  476.089 17214.83  528.208 14815.44  1099.17  133.152   2.0436  123.426   4.5877 9.725975 5.022252 
1 1 1   -8   20    9 o  273.682   2.5722 72740.98  1302.93 72622.88  1614.63 72961.45  2206.05  273.417   3.0422  273.948   4.1484 -0.5313721 5.144330 
1 1 1   -8   20   10 o  138.131   1.5384 18476.29  410.872 17963.82  553.665 19104.44  612.971  136.008   2.0971  140.253   2.2514 -4.245621 3.076820 
1 1 1   -8   20   11 o  201.977   1.4420 39625.22  561.196 39553.98  846.304 39681.13  749.743  201.807   2.1604  202.146   1.9107 -0.3383179 2.884047 
1 1 1   -8   20   12 o   23.007   1.1179  566.448   35.823  440.702   85.978  592.862   39.406   21.301   2.0794   24.713   0.8214 -3.412861 2.235721 
1 1 1   -8   20   13 o   82.584   1.8426  7132.80  206.761  5940.66  521.047  7355.60  225.255   78.130   3.4355   87.037   1.3332 -8.906601 3.685141 
1 1 1   -8   20   14 o   64.941   2.0345  4346.97  139.251  3815.76  475.435  4396.81  145.638   62.587   3.9133   67.296   1.1149 -4.708675 4.068996 
1 1 1   -8   20   15 o  147.819   1.7409 21205.00  432.929 21316.17  865.759 21167.93  499.923  148.018   3.0131  147.620   1.7446 0.3977203 3.481735 
1 1 1   -8   20   16 o   99.289   1.8007  9537.43  256.707  9670.21  636.624  9511.64  280.524   99.622   3.2920   98.956   1.4604 0.6657486 3.601394 
1 1 1   -8   20   17 o   69.781   0.8607  4728.12  116.578  4664.85  163.305  4793.87  166.474   69.305   1.2139   70.257   1.2207 -0.9516296 1.721469 
1 1 1   -8   20   18 o   52.799   0.7749  2707.74   79.407  2763.49  112.219  2651.82  112.379   53.344   1.0837   52.255   1.1079 1.089603 1.549788 
1 1 1   -8   20   19 o   20.782   1.1417  420.564   45.965  446.471   64.541  393.898   65.479   21.433   1.5513   20.130   1.6757 1.303665 2.283500 
1 1 1   -8   20   20 o   90.927   1.0637  8029.52  187.667  8237.68  270.566  7836.53  260.522   92.061   1.5140   89.793   1.4946 2.267899 2.127482 
1 1 1   -8   20   21 o   86.554   0.9301  7235.83  149.175  7134.50  184.555  7426.82  253.363   85.700   1.1094   87.408   1.4932 -1.708168 1.860232 
1 1 1   -8   20   22 o   65.813   0.8171  4201.10  100.890  4180.00  127.132  4236.99  165.811   65.599   0.9984   66.028   1.2937 -0.4281006 1.634104 
1 1 1   -8   20   23 o   57.662   2.9546  3146.35  109.839  3138.45  111.388  3424.42  661.025   56.838   1.0096   58.486   5.8223 -1.648895 5.909224 
1 1 1   -8   20   24 o   62.278   3.2802  4215.33  133.600  4240.48  135.862  3479.05  735.202   66.056   1.0595   58.499   6.4743 7.557381 6.560440 
1 1 1   -8   20   25 o   52.151   0.8657  2623.21   83.845  2572.59  103.880  2717.83  142.019   51.448   1.0402   52.853   1.3842 -1.404644 1.731484 
1 1 1   -8   20   26 o   66.132   0.9186  4255.45  112.485  4251.72  139.502  4262.38  190.179   66.119   1.0869   66.145   1.4812 -0.2569580E-01 1.837169 
1 1 1   -8   20   27 o   29.250   1.2216  828.477   66.890  808.007   83.655  864.765  111.382   28.779   1.4975   29.722   1.9305 -0.9431286 2.443212 
1 1 1   -8   20   28 o   36.221   1.0981  1289.07   73.599  1303.85   91.520  1262.01  123.827   36.558   1.2896   35.885   1.7776 0.6736221 2.196160 
1 1 1   -8   20   29 o   69.349   0.9601  4711.49  122.750  4729.31  151.694  4677.68  208.923   69.622   1.1224   69.075   1.5581 0.5474625 1.920300 
1 1 1   -8   20   30 o   30.546   1.2078  890.572   69.036  814.117   85.362  1035.13  117.375   28.765   1.5287   32.327   1.8705 -3.561783 2.415701 
1 1 1   -8   20   31 o   23.552   1.7460  582.862   72.073  618.083   86.975  505.671  128.759   24.957   1.7953   22.146   2.9951 2.811497 3.491978 
1 1 1   -8   20   32 o   11.812   2.7716  132.552   73.447   79.993   90.872  231.573  124.730   9.4800   3.5924   14.145   4.2215 -4.664907 5.543105 
1 1 1   -8   20   33 o   25.664   1.8377  697.649   81.458  712.734   96.491  660.231  151.969   26.587   1.8696   24.741   3.1642 1.845913 3.675313 
1 1 1   -8   21    1 o   68.523   0.8050  4553.12  106.744  4501.38  144.959  4614.40  157.770   68.098   1.0966   68.947   1.1788 -0.8490677 1.610003 
1 1 1   -8   21    2 o  248.702   1.2282 60049.70  592.927 60342.09  836.208 59754.05  840.862  249.311   1.7279  248.092   1.7460 1.218369 2.456428 
1 1 1   -8   21    3 o  361.582   1.7916 126416.30  1197.55 125195.80  1479.05 128739.40  2040.55  359.086   2.1219  364.077   2.8873 -4.990295 3.583115 
1 1 1   -8   21    4 o  135.887   1.0993 17907.66  276.558 17865.67  342.739 17986.04  468.205  135.663   1.3015  136.111   1.7721 -0.4481964 2.198636 
1 1 1   -8   21    5 o  119.531   1.4755 13872.58  342.366 13871.91  483.016 13873.26  485.351  119.528   2.0817  119.534   2.0917 -0.5599976E-02 2.951081 
1 1 1   -8   21    6 o  312.374   2.5916 94539.55  1535.88 96173.68  2456.44 93490.67  1967.99  314.543   4.0231  310.205   3.2682 4.338470 5.183278 
1 1 1   -8   21    7 o  178.047   2.5167 30665.87  738.168 30542.28  843.462 31070.22  1525.69  177.341   2.4501  178.753   4.3969 -1.412476 5.033486 
1 1 1   -8   21    8 o  102.797   2.4929 10411.41  315.715 10454.15  335.704 10084.19  928.811  103.770   1.6666  101.825   4.6990 1.944717 4.985808 
1 1 1   -8   21    9 o  106.683   2.5249 11058.18  341.902 11056.71  364.834 11068.82  979.834  106.713   1.7612  106.653   4.7327 0.5991364E-01 5.049830 
1 1 1   -8   21   10 o  305.911   2.6905 91271.61  1539.06 92016.65  1936.77 89994.99  2535.23  307.690   3.2426  304.132   4.2943 3.558105 5.381041 
1 1 1   -8   21   11 o  155.481   1.6449 23497.06  496.057 23914.48  691.734 23055.13  711.755  156.906   2.2711  154.055   2.3801 2.850983 3.289760 
1 1 1   -8   21   12 o  108.671   1.0700 11494.82  224.952 11076.19  328.359 11865.07  308.802  106.799   1.5839  110.542   1.4391 -3.742729 2.139994 
1 1 1   -8   21   13 o  161.816   1.7716 25857.72  491.538 24583.35  941.247 26335.58  576.374  158.973   3.0501  164.659   1.8032 -5.686386 3.543283 
1 1 1   -8   21   14 o   59.622   2.0268  3653.81  120.451  3232.72  437.914  3688.27  125.283   57.607   3.9160   61.636   1.0471 -4.029102 4.053602 
1 1 1   -8   21   15 o   36.099   3.2082  1591.50   75.022  1002.09  373.287  1616.31   76.585   31.397   6.3432   40.802   0.9669 -9.405655 6.416430 
1 1 1   -8   21   16 o   25.294   0.8195  618.647   40.104  590.450   54.122  652.980   59.722   24.658   1.1307   25.931   1.1865 -1.272171 1.638959 
1 1 1   -8   21   17 o   94.021   1.0171  8587.72  185.635  8646.69  262.780  8528.97  262.275   94.343   1.4349   93.699   1.4420 0.6448593 2.034253 
1 1 1   -8   21   18 o  108.791   1.1130 11500.38  235.024 11731.09  333.873 11273.77  330.897  109.873   1.5654  107.709   1.5826 2.164352 2.226016 
1 1 1   -8   21   19 o   93.585   2.1327  8544.31  387.360  8775.39  552.474  8320.88  543.263   94.832   3.0012   92.338   3.0308 2.493378 4.265338 
1 1 1   -8   21   20 o   53.525   3.1627  2820.38  328.055  2701.47  470.888  2932.51  457.290   52.403   4.6291   54.647   4.3109 -2.243477 6.325492 
1 1 1   -8   21   21 o   22.652   1.1604  521.423   48.398  590.852   62.189  414.796   77.069   24.658   1.2992   20.646   1.9230 4.012501 2.320781 
1 1 1   -8   21   22 f   13.622   1.9732  186.598   49.031  183.677   61.777  191.571   80.599   13.518   2.4442   13.726   3.0984 -0.2079821 3.946440 
1 1 1   -8   21   23 o   59.491   0.8191  3460.08   91.330  3521.27  115.599  3358.44  148.983   60.205   0.9891   58.777   1.3058 1.428307 1.638105 
1 1 1   -8   21   24 o   50.949   0.8451  2546.96   81.239  2629.57  104.301  2419.53  129.535   52.020   1.0329   49.879   1.3378 2.140797 1.690181 
1 1 1   -8   21   25 o   15.352   2.0601  213.863   58.592  127.861   72.940  370.307   98.376   11.257   3.1914   19.446   2.6061 -8.188954 4.120245 
1 1 1   -8   21   26 o   20.033   1.8309  427.476   62.967  486.678   78.439  320.192  105.592   22.324   1.8100   17.741   3.1831 4.583389 3.661710 
1 1 1   -8   21   27 o   96.151   1.1271  8963.93  198.122  8838.30  241.647  9221.57  346.045   95.228   1.3072   97.074   1.8364 -1.846840 2.254137 
1 1 1   -8   21   28 o   44.903   0.9693  1992.29   80.842  2054.21  101.517  1884.96  133.654   45.910   1.1391   43.896   1.5685 2.013435 1.938527 
1 1 1   -8   21   29 o   28.655   1.7337  854.568   90.084  702.859  149.242  941.525  112.990   26.411   2.9110   30.900   1.8837 -4.488956 3.467353 
1 1 1   -8   21   30 o   16.218   2.3433  281.879   68.570  291.998   84.227  261.990  118.077   17.008   2.5512   15.427   3.9314 1.580458 4.686617 
1 1 1   -8   21   31 o   10.434   2.6905  103.335   69.201  104.068   86.950  102.069  114.293   10.224   3.5656   10.645   4.0300 -0.4204216 5.380941 
1 1 1   -8   21   32 o   33.448   1.3076  1120.97   80.063  1123.73   98.314  1115.55  137.952   33.681   1.5037   33.215   2.1395 0.4650269 2.615126 
1 1 1   -8   21   33 o   24.370   2.3016  684.536   98.097  810.369  127.487  501.898  153.590   28.012   2.3446   20.729   3.9615 7.283022 4.603270 
1 1 1   -8   22    1 o  287.604   1.3167 80286.06  734.995 79238.95  1027.76 81382.20  1051.53  285.686   1.8533  289.523   1.8710 -3.837006 2.633479 
1 1 1   -8   22    2 o  128.277   1.0713 16085.11  255.115 16363.83  318.817 15588.94  425.372  129.836   1.2650  126.717   1.7293 3.118858 2.142568 
1 1 1   -8   22    3 o  213.887   1.3352 44599.35  535.146 45131.94  676.056 43705.67  875.739  215.613   1.6153  212.161   2.1264 3.451828 2.670319 
1 1 1   -8   22    4 o  206.994   1.5970 41357.85  556.947 41109.57  642.885 42104.75  1115.05  205.780   1.6094  208.208   2.7589 -2.428253 3.193990 
1 1 1   -8   22    5 o  184.564   1.7466 33044.94  625.153 32311.92  861.654 33859.64  908.396  182.407   2.4335  186.721   2.5062 -4.314285 3.493258 
1 1 1   -8   22    6 o  169.952   1.8846 28061.46  610.128 28008.64  959.577 28097.31  790.496  169.806   2.9111  170.097   2.3941 -0.2907562 3.769121 
1 1 1   -8   22    7 o  145.209   3.1884 20455.84  896.689 19830.49  1220.43 21189.45  1321.86  142.809   4.4024  147.609   4.6133 -4.799149 6.376775 
1 1 1   -8   22    8 o   54.638   3.2604  2939.10  126.373  2941.73  128.651  2866.89  674.619   55.049   1.2039   54.227   6.4088 0.8217049 6.520883 
1 1 1   -8   22    9 o  222.668   2.5697 48648.32  1020.50 49349.07  1226.70 47073.35  1839.03  225.372   2.8040  219.963   4.3070 5.409836 5.139312 
1 1 1   -8   22   10 o  285.744   2.6706 79500.70  1414.02 79718.31  1756.64 79100.13  2383.19  286.387   3.1598  285.102   4.3062 1.285675 5.341144 
1 1 1   -8   22   11 o  118.057   1.3834 13537.89  316.900 14056.67  449.767 13026.44  446.580  120.304   1.9259  115.810   1.9865 4.494926 2.766840 
1 1 1   -8   22   12 o   49.912   0.7885  2448.99   71.441  2331.89  124.139  2506.97   87.357   49.006   1.3049   50.818   0.8855 -1.811775 1.577042 
1 1 1   -8   22   13 o   21.640   3.1314  703.725   43.069  165.736  274.487  717.304   43.609   16.097   6.2080   27.183   0.8264 -11.08591 6.262735 
1 1 1   -8   22   14 o   52.531   2.2974  3100.05  109.190  2246.22  417.291  3162.80  113.132   47.985   4.4799   57.077   1.0211 -9.091927 4.594782 
1 1 1   -8   22   15 o  108.726   1.0841 11480.64  228.790 11663.14  326.069 11303.66  321.104  109.577   1.5329  107.875   1.5334 1.701927 2.168245 
1 1 1   -8   22   16 o   14.529   1.2900  207.723   35.860  170.587   51.412  242.906   50.042   13.246   1.9994   15.811   1.6305 -2.564775 2.579953 
1 1 1   -8   22   17 o   23.304   0.9823  526.587   44.374  488.329   61.435  568.316   64.161   22.420   1.4116   24.187   1.3665 -1.767288 1.964692 
1 1 1   -8   22   18 o   77.489   0.9287  5832.07  139.678  5738.42  196.216  5928.27  198.880   76.858   1.3152   78.120   1.3115 -1.261230 1.857323 
1 1 1   -8   22   19 o  108.494   1.2106 11462.98  254.023 11221.73  373.380 11670.87  346.598  107.421   1.7906  109.568   1.6296 -2.146927 2.421111 
1 1 1   -8   22   20 o   63.102   0.8757  3867.96  107.219  3847.01  149.322  3890.25  154.051   62.926   1.2224   63.277   1.2542 -0.3510056 1.751355 
1 1 1   -8   22   21 o   64.585   0.8983  4054.42  112.584  4105.00  157.794  4001.97  160.681   64.996   1.2507   64.173   1.2899 0.8231430 1.796638 
1 1 1   -8   22   22 o   28.676   0.9908  801.998   53.451  809.685   67.881  789.455   86.712   28.864   1.2115   28.488   1.5680 0.3755226 1.981521 
1 1 1   -8   22   23 o   60.867   0.8389  3557.68   95.703  3441.43  119.674  3763.92  159.399   59.514   1.0359   62.219   1.3198 -2.705307 1.677751 
1 1 1   -8   22   24 o   37.298   0.9421  1329.17   66.748  1245.42   84.883  1464.88  108.046   35.791   1.2217   38.804   1.4344 -3.013142 1.884172 
1 1 1   -8   22   25 o   37.049   0.9816  1353.86   68.029  1408.11   86.414  1265.44  110.323   38.053   1.1699   36.046   1.5767 2.007256 1.963295 
1 1 1   -8   22   26 o   62.233   0.9149  3794.54  105.714  3851.69  132.066  3692.62  176.370   62.921   1.0813   61.546   1.4763 1.375423 1.829880 
1 1 1   -8   22   27 o   51.377   1.0850  2569.87  108.210  2569.87  108.210   0.0000   0.0000   51.377   1.0850  ?   ?       ?      ? 
1 1 1   -8   22   28 o   22.928   1.5222  502.391   65.221  463.537   80.597  576.101  111.012   21.721   1.9115   24.136   2.3694 -2.415588 3.044338 
1 1 1   -8   22   29 o   33.416   1.1000  1100.46   69.312  1113.78   88.443  1079.27  111.587   33.726   1.3509   33.105   1.7364 0.6210480 2.200017 
1 1 1   -8   22   30 o   42.087   1.0016  1719.38   78.699  1665.09   97.943  1818.29  132.206   41.227   1.2238   42.947   1.5858 -1.720131 2.003148 
1 1 1   -8   22   31 o   26.662   1.4467  648.323   69.201  557.172   81.322  887.572  131.749   23.676   1.7694   29.648   2.2892 -5.972343 2.893319 
1 1 1   -8   22   32 o   11.981   2.6787  112.413   73.831   24.615   89.675  297.158  130.081   8.0152   3.3772   15.947   4.1589 -7.932142 5.357410 
1 1 1   -8   22   33 f   18.694   2.3112  367.921   78.475  324.218   96.056  455.633  136.081   17.450   2.8358   19.939   3.6504 -2.489166 4.622468 
1 1 1   -8   23    1 o  227.446   1.2013 50225.29  530.360 50380.57  747.276 50067.69  752.839  227.801   1.6899  227.092   1.7078 0.7091217 2.402567 
1 1 1   -8   23    2 f  393.258   1.6921 150069.41  1252.74 149713.20  1587.58 150657.20  2039.37  392.666   2.0828  393.850   2.6675 -1.184052 3.384298 
1 1 1   -8   23    3 o  213.310   1.3618 44246.66  544.260 44440.61  686.059 43917.37  893.967  213.952   1.6519  212.668   2.1655 1.283234 2.723604 
1 1 1   -8   23    4 o  151.664   1.2331 22345.32  360.198 22441.26  480.882 22222.70  543.670  152.038   1.6294  151.290   1.8512 0.7477875 2.466160 
1 1 1   -8   23    5 o   43.959   4.1321  2205.14   50.481  2208.91   50.648  1636.69  622.078   47.705   0.5469   40.212   8.2461 7.492916 8.264222 
1 1 1   -8   23    6 o  164.067   1.6688 26127.95  530.879 25895.82  732.069 26385.43  770.997  163.301   2.3094  164.834   2.4096 -1.532883 3.337569 
1 1 1   -8   23    7 o  133.635   2.5691 17672.58  549.192 17921.80  622.862 16802.05  1164.11  135.845   2.3620  131.425   4.5630 4.419937 5.138119 
1 1 1   -8   23    8 o  245.446   2.9852 58603.09  1421.97 58555.55  1989.35 58652.76  2033.30  245.350   4.1770  245.542   4.2659 -0.1918945 5.970339 
1 1 1   -8   23    9 o  288.498   2.6871 80517.72  1430.29 79591.14  1761.91 82308.34  2449.31  286.164   3.1718  290.833   4.3385 -4.668915 5.374238 
1 1 1   -8   23   10 o  242.829   2.6354 57230.35  1151.12 57014.66  1386.71 57708.39  2064.44  242.197   2.9495  243.461   4.3683 -1.263901 5.270797 
1 1 1   -8   23   11 o  128.331   1.4661 15960.74  364.685 15323.94  499.405 16688.26  533.796  125.597   2.0484  131.066   2.0981 -5.469070 2.932190 
1 1 1   -8   23   12 o  215.878   1.8675 45397.25  768.656 44824.57  1202.27 45793.17  999.651  214.689   2.8849  217.066   2.3724 -2.376709 3.735075 
1 1 1   -8   23   13 o   79.626   2.9283  6485.31  194.586  5845.27  858.407  6519.98  199.787   77.306   5.7203   81.945   1.2560 -4.639702 5.856534 
1 1 1   -8   23   14 o   57.672   1.6207  3429.89  114.622  2984.75  329.658  3491.10  122.250   55.380   3.0665   59.965   1.0502 -4.584362 3.241364 
1 1 1   -8   23   15 o   25.569   3.6097  671.933  174.402  468.685  252.007  858.751  241.605   21.492   5.8732   29.647   4.1982 -8.154522 7.219399 
1 1 1   -8   23   16 o   82.861   0.9364  6661.27  150.537  6913.42  217.409  6429.04  208.643   84.366   1.3275   81.357   1.3211 3.008858 1.872900 
1 1 1   -8   23   17 o   23.055   0.8687  514.956   38.822  492.389   53.171  540.720   56.814   22.515   1.2166   23.594   1.2405 -1.078814 1.737454 
1 1 1   -8   23   18 o  116.333   1.1537 13146.70  260.440 13445.05  374.483 12867.22  362.448  117.610   1.6403  115.057   1.6228 2.553230 2.307404 
1 1 1   -8   23   19 o   74.332   0.9248  5367.78  133.424  5414.38  190.188  5322.62  187.228   74.649   1.3125   74.015   1.3031 0.6347198 1.849527 
1 1 1   -8   23   20 o   90.962   2.7063  8085.00  476.849  8860.10  694.427  7393.41  655.949   95.090   3.7621   86.835   3.8914 8.255135 5.412622 
1 1 1   -8   23   21 o   24.621   1.1102  589.731   53.012  597.021   73.737  581.932   76.268   24.779   1.5330   24.462   1.6062 0.3172989 2.220313 
1 1 1   -8   23   22 o   26.657   1.0462  699.225   52.853  732.475   68.685  650.953   82.758   27.450   1.2890   25.865   1.6483 1.585333 2.092474 
1 1 1   -8   23   23 o   64.950   0.8636  4073.24  104.791  4000.65  130.880  4202.88  174.909   64.163   1.0508   65.736   1.3707 -1.573593 1.727144 
1 1 1   -8   23   24 o   35.316   1.0012  1253.42   65.798  1388.04   84.853  1050.39  104.204   37.787   1.1568   32.845   1.6344 4.941860 2.002355 
1 1 1   -8   23   25 o   48.929   0.8843  2331.24   80.750  2336.90  101.210  2321.32  133.944   49.027   1.0635   48.831   1.4131 0.1956673 1.768536 
1 1 1   -8   23   26 o   76.368   0.9675  5632.18  135.749  5528.42  166.209  5840.07  235.261   75.368   1.1361   77.368   1.5665 -2.000038 1.935060 
1 1 1   -8   23   27 o   25.873   1.3539  670.739   64.561  706.679   80.910  607.752  107.113   26.893   1.5499   24.852   2.2203 2.040583 2.707745 
1 1 1   -8   23   28 o   15.451   2.2545  279.617   64.893  369.262   81.965  129.038  106.230   19.341   2.1831   11.561   3.9453 7.780558 4.509069 
1 1 1   -8   23   29 o   20.992   1.7038  455.251   64.609  486.587   79.901  396.060  109.814   22.195   1.8545   19.789   2.8587 2.405886 3.407513 
1 1 1   -8   23   30 o   16.283   2.2188  251.585   66.188  189.474   80.456  381.631  116.418   13.314   3.1603   19.252   3.1151 -5.937868 4.437529 
1 1 1   -8   23   31 o   15.465   2.3539  272.237   68.039  317.129   86.344  198.694  110.513   17.629   2.5231   13.300   3.9746 4.328927 4.707784 
1 1 1   -8   23   32 o   10.419   2.7001  108.570   70.085  106.142   89.140  112.501  113.418   10.160   3.6047   10.677   4.0210 -0.5174313 5.400232 
1 1 1   -8   23   33 o   22.756   2.0027  556.539   81.680  566.247   99.259  536.180  143.753   23.482   2.1776   22.029   3.3616 1.452551 4.005307 
1 1 1   -8   24    1 o  126.917   1.0658 15615.40  250.513 15564.06  310.523 15711.11  423.953  126.623   1.2633  127.211   1.7168 -0.5887222 2.131548 
1 1 1   -8   24    2 o  182.699   1.2912 32532.37  440.216 32868.92  552.739 31948.63  727.951  184.004   1.5475  181.393   2.0674 2.610184 2.582381 
1 1 1   -8   24    3 o  286.122   1.5365 79686.93  824.984 80260.69  1043.04 78728.25  1348.26  287.517   1.8688  284.726   2.4394 2.790558 3.072970 
1 1 1   -8   24    4 o  150.748   1.1997 22100.68  336.272 22196.57  419.640 21928.62  562.123  151.211   1.4296  150.284   1.9269 0.9270782 2.399318 
1 1 1   -8   24    5 o  130.324   1.1880 16486.36  270.276 16482.69  318.799 16495.75  509.643  130.305   1.2603  130.341   2.0143 -0.3590393E-01 2.376082 
1 1 1   -8   24    6 o  110.437   2.7644 11523.13  351.193 11444.36  369.035 12279.23  1143.28  108.568   1.7511  112.306   5.2443 -3.737457 5.528878 
1 1 1   -8   24    7 o  173.130   2.5298 29234.46  714.156 29315.02  813.810 28964.63  1489.41  173.727   2.4132  172.533   4.4471 1.193878 5.059648 
1 1 1   -8   24    8 o   41.440   4.9794  2221.71  123.051  2254.22  125.019  1213.39  696.269   48.187   1.3365   34.694   9.8688 13.49302 9.958878 
1 1 1   -8   24    9 o  125.246   3.4473 15262.01  837.439 15735.58  1214.91 14833.31  1155.93  127.090   4.9245  123.402   4.8255 3.688255 6.894691 
1 1 1   -8   24   10 o   59.107   3.3217  3210.19  137.993  3196.56  140.262  3621.06  770.298   57.380   1.2593   60.834   6.5230 -3.454418 6.643421 
1 1 1   -8   24   11 o  129.305   1.5053 16248.75  377.738 16473.44  530.923 16018.42  537.543  130.213   2.1005  128.398   2.1567 1.814468 3.010521 
1 1 1   -8   24   12 o   79.798   0.9729  6185.10  149.030  6170.80  228.269  6195.72  196.747   79.715   1.4752   79.881   1.2688 -0.1661987 1.945769 
1 1 1   -8   24   13 o   70.775   0.8883  4878.74  120.816  4753.49  183.116  4975.30  160.775   69.966   1.3483   71.584   1.1570 -1.618118 1.776642 
1 1 1   -8   24   14 o  103.464   1.0945 10396.34  219.600 10436.46  318.180 10359.86  303.465  103.653   1.5813  103.275   1.5137 0.3775406 2.189067 
1 1 1   -8   24   15 o   61.881   0.7641  3718.43   91.790  3718.43  130.041  3718.43  129.583   61.881   1.0826   61.881   1.0788 -0.9918213E-04 1.528293 
1 1 1   -8   24   16 o  108.662   1.1120 11470.63  234.525 11639.58  334.608 11307.49  328.805  109.449   1.5749  107.876   1.5702 1.572304 2.223928 
1 1 1   -8   24   17 o   72.417   2.1921  5124.49  307.151  4964.57  448.785  5265.40  421.274   71.336   3.2409   73.498   2.9527 -2.161453 4.384293 
1 1 1   -8   24   18 o   38.124   0.7200  1412.44   53.249  1360.70   75.605  1463.36   75.009   37.430   1.0406   38.818   0.9955 -1.387451 1.440025 
1 1 1   -8   24   19 o   33.572   0.7922  1098.14   51.460  1012.15   73.528  1180.70   72.046   32.279   1.1735   34.866   1.0645 -2.587006 1.584362 
1 1 1   -8   24   20 o  102.961   1.1502 10306.32  229.836 10395.54  329.074 10221.34  321.146  103.394   1.6396  102.527   1.6136 0.8669357 2.300426 
1 1 1   -8   24   21 o   49.641   0.8103  2385.17   77.808  2498.70  115.942  2292.13  104.953   50.710   1.1778   48.572   1.1131 2.138435 1.620584 
1 1 1   -8   24   22 o   16.226   1.6222  256.401   48.339  180.494   64.374  354.535   73.195   13.374   2.5730   19.078   1.9764 -5.703756 3.244488 
1 1 1   -8   24   23 o   54.557   0.8179  2841.56   84.227  2685.24  106.013  3109.14  138.701   52.567   1.0389   56.547   1.2636 -3.980656 1.635848 
1 1 1   -8   24   24 o   50.625   0.8406  2491.34   80.570  2489.27  103.114  2494.57  129.104   50.608   1.0496   50.642   1.3133 -0.3406906E-01 1.681214 
1 1 1   -8   24   25 o   22.371   1.4002  475.251   59.766  418.281   76.390  565.159   95.965   20.697   1.9013   24.046   2.0559 -3.348761 2.800342 
1 1 1   -8   24   26 o   36.502   0.9945  1276.76   69.318  1184.19   89.049  1419.10  110.427   34.862   1.3159   38.142   1.4914 -3.280487 1.988934 
1 1 1   -8   24   27 f   35.090   1.0280  1167.52   68.110  1062.35   85.355  1351.86  113.007   32.996   1.3326   37.185   1.5656 -4.188107 2.055938 
1 1 1   -8   24   28 o   42.195   0.9307  1735.84   74.259  1723.02   94.700  1756.31  119.661   42.024   1.1609   42.365   1.4550 -0.3412590 1.861396 
1 1 1   -8   24   29 o   14.676   2.2768  222.375   62.798  178.381   82.274  283.779   97.200   12.938   3.2734   16.413   3.1655 -3.475123 4.553600 
1 1 1   -8   24   30 f   28.581   1.2540  814.885   67.606  835.437   86.668  782.944  108.047   29.117   1.5334   28.045   1.9847 1.071850 2.508037 
1 1 1   -8   24   31 o   18.598   1.9527  344.980   68.339  310.069   85.117  408.305  114.636   17.415   2.5179   19.782   2.9853 -2.366779 3.905367 
1 1 1   -8   24   32 o   15.624   2.4961  296.514   75.448  366.988   95.287  178.085  123.524   18.794   2.6118   12.453   4.2544 6.341125 4.992117 
1 1 1   -8   25    1 o  329.673   1.6040 105828.10  997.274 106772.60  1271.08 104315.60  1608.46  331.612   1.9746  327.734   2.5283 3.877441 3.207981 
1 1 1   -8   25    2 o  118.850   1.0208 13739.89  223.724 13800.29  276.485 13625.33  380.759  119.233   1.1946  118.467   1.6557 0.7658157 2.041665 
1 1 1   -8   25    3 o   60.264   0.8295  3526.19   96.975  3549.33  134.973  3501.50  139.423   60.468   1.1499   60.059   1.1959 0.4091454 1.659031 
1 1 1   -8   25    4 o  206.454   1.3682 41386.11  527.854 41385.23  662.224 41387.63  874.137  206.462   1.6523  206.446   2.1813 0.1661682E-01 2.736445 
1 1 1   -8   25    5 o  170.340   1.4552 28261.10  441.089 28389.31  527.896 27964.56  802.857  170.999   1.5903  169.681   2.4375 1.318573 2.910405 
1 1 1   -8   25    6 o   56.265   0.8760  3074.60   95.599  3111.99  133.067  3034.73  137.435   56.619   1.2107   55.911   1.2663 0.7076759 1.751957 
1 1 1   -8   25    7 o  331.798   5.6733 107319.50  3654.03 107319.50  3654.03   0.0000   0.0000  331.798   5.6733  ?   ?       ?      ? 
1 1 1   -8   25    8 o  332.408   2.7894 107391.00  1727.19 107120.30  2156.73 107875.10  2884.02  331.933   3.3472  332.882   4.4632 -0.9485779 5.578847 
1 1 1   -8   25    9 o  150.512   2.6706 22135.91  667.628 22222.14  767.318 21867.25  1354.46  151.219   2.6140  149.805   4.6578 1.414017 5.341121 
1 1 1   -8   25   10 o   61.009   4.9039  3650.63  580.721  3698.67  827.314  3603.96  815.346   61.404   6.9407   60.614   6.9295 0.7902527 9.807755 
1 1 1   -8   25   11 f   71.529   0.9431  4945.49  130.334  5191.39  195.738  4749.63  174.693   73.118   1.3791   69.940   1.2867 3.178047 1.886125 
1 1 1   -8   25   12 o   76.980   0.9914  5767.53  147.745  5535.87  214.376  5977.11  203.905   75.503   1.4627   78.458   1.3388 -2.954552 1.982895 
1 1 1   -8   25   13 o   92.683   0.8949  8324.81  157.038  8267.48  200.699  8415.34  252.187   92.276   1.1204   93.089   1.3956 -0.8122253 1.789715 
1 1 1   -8   25   14 o   49.948   0.6788  2422.39   65.783  2328.65   92.643  2517.71   93.425   48.973   0.9745   50.923   0.9451 -1.949764 1.357550 
1 1 1   -8   25   15 o   55.838   0.7241  3020.30   78.344  3143.58  115.065  2913.77  106.967   56.898   1.0418   54.779   1.0059 2.118359 1.448186 
1 1 1   -8   25   16 o   95.559   1.0463  8872.23  194.081  8890.08  274.370  8854.37  274.574   95.655   1.4776   95.462   1.4817 0.1925812 2.092563 
1 1 1   -8   25   17 o   74.690   0.8931  5420.06  129.449  5370.54  185.016  5467.55  181.181   74.355   1.2818   75.025   1.2441 -0.6703796 1.786285 
1 1 1   -8   25   18 o   36.341   0.7629  1286.33   53.599  1236.28   78.509  1330.02   73.355   35.676   1.1337   37.006   1.0211 -1.330643 1.525762 
1 1 1   -8   25   19 o   44.397   0.7487  1917.17   64.404  1862.20   93.159  1967.50   89.135   43.785   1.0961   45.008   1.0202 -1.223225 1.497392 
1 1 1   -8   25   20 o   60.067   0.8397  3506.16   97.839  3487.48  140.898  3523.56  135.965   59.911   1.2115   60.222   1.1631 -0.3116417 1.679444 
1 1 1   -8   25   21 o   29.058   0.9467  814.416   53.109  880.927   80.372  762.867   70.757   30.102   1.3755   28.015   1.3011 2.087179 1.893360 
1 1 1   -8   25   22 o   70.798   0.8734  4842.14  115.824  4760.74  145.206  4984.52  192.041   69.998   1.0686   71.598   1.3818 -1.600121 1.746784 
1 1 1   -8   25   23 o   90.509   1.0359  8049.18  175.802  8292.56  223.423  7653.52  284.869   92.353   1.2463   88.665   1.6551 3.688316 2.071860 
1 1 1   -8   25   24 o   60.074   1.0538  3507.84  122.885  3507.84  122.885   0.0000   0.0000   60.074   1.0538  ?   ?       ?      ? 
1 1 1   -8   25   25 o   81.840   1.1759  6517.50  186.813  6517.50  186.813   0.0000   0.0000   81.840   1.1759  ?   ?       ?      ? 
1 1 1   -8   25   26 o   32.346   1.0468  1037.12   64.577  1141.30   86.639  906.898   96.865   34.221   1.3042   30.470   1.6377 3.751625 2.093572 
1 1 1   -8   25   27 o   43.201   0.8886  1847.10   72.900  1972.46   95.768  1674.37  112.415   44.995   1.0965   41.407   1.3986 3.588139 1.777139 
1 1 1   -8   25   28 f   51.837   0.8758  2625.09   86.728  2624.63  113.064  2625.76  135.183   51.862   1.1231   51.813   1.3441 0.4891205E-01 1.751519 
1 1 1   -8   25   29 o   65.775   0.9204  4234.96  113.638  4216.51  143.373  4266.15  186.373   65.665   1.1248   65.885   1.4572 -0.2192230 1.840840 
1 1 1   -8   25   30 o   7.9714   2.2974  -1.8660   60.972 -74.6586   80.953   93.559   92.688   5.9164   2.7773   10.026   3.6604 -4.109990 4.594752 
1 1 1   -8   25   31 o   10.374   2.3134   95.620   65.179  206.182   87.221 -44.2011   98.085   13.681   3.3183   7.0679   3.2244 6.613030 4.626863 
1 1 1   -8   25   32 o   19.985   1.8607  402.533   70.689  311.117   91.569  537.364  111.207   17.213   2.7405   22.756   2.5175 -5.543722 3.721319 
1 1 1   -8   26    1 o  382.784   1.6922 142206.91  1218.37 141887.59  1542.11 142737.09  1987.48  382.245   2.0783  383.323   2.6710 -1.077911 3.384309 
1 1 1   -8   26    2 o   98.437   0.9290  9482.69  168.714  9657.31  209.384  9159.46  284.873   99.742   1.0814   97.131   1.5109 2.611404 1.858018 
1 1 1   -8   26    3 o  212.695   1.3761 43953.28  548.274 44021.41  690.393 43836.96  902.177  212.931   1.6703  212.459   2.1875 0.4727173 2.752292 
1 1 1   -8   26    4 o  157.654   1.2154 24191.54  355.571 24334.11  442.820 23932.78  596.576  158.319   1.4409  156.990   1.9576 1.328629 2.430725 
1 1 1   -8   26    5 o  164.036   1.4221 26037.00  410.046 25911.25  485.335 26350.62  766.482  163.365   1.5304  164.707   2.3973 -1.342194 2.844177 
1 1 1   -8   26    6 o   71.532   0.9508  4966.89  132.007  4932.22  184.876  5002.95  188.551   71.277   1.3362   71.786   1.3531 -0.5090103 1.901632 
1 1 1   -8   26    7 o  112.964   2.6645 13057.81  401.316 13317.21  434.221 11538.30  1050.94  117.103   1.9102  108.826   4.9749 8.277336 5.329013 
1 1 1   -8   26    8 o  174.265   2.4239 29505.96  819.964 29505.96  819.964   0.0000   0.0000  174.265   2.4239  ?   ?       ?      ? 
1 1 1   -8   26    9 o  232.189   2.6787 52918.77  1102.28 53560.96  1318.07 51424.82  2010.38  234.701   2.8931  229.677   4.5091 5.023605 5.357449 
1 1 1   -8   26   10 o  110.245   2.8519 12127.42  404.799 12226.58  433.937 11462.62  1123.62  112.184   1.9927  108.306   5.3444 3.877487 5.703802 
1 1 1   -8   26   11 o   85.255   4.3161  7130.25  695.078  7177.22  888.048  7055.96  1116.78   85.705   5.3378   84.804   6.7840 0.9008408 8.632178 
1 1 1   -8   26   12 o   52.380   0.8001  2669.85   78.198  2641.98  129.603  2685.80   98.059   52.162   1.2800   52.598   0.9604 -0.4357452 1.600206 
1 1 1   -8   26   13 o  102.731   0.9508 10272.40  186.081 10371.26  241.630 10128.34  291.701  103.346   1.2045  102.116   1.4716 1.229622 1.901633 
1 1 1   -8   26   14 o  120.699   1.1970 14117.54  279.122 14538.05  418.096 13779.42  374.904  122.310   1.7610  119.087   1.6218 3.222542 2.393979 
1 1 1   -8   26   15 o  182.665   1.4998 32426.72  526.992 32620.63  802.067 32279.42  699.064  183.122   2.2563  182.209   1.9764 0.9125519 2.999562 
1 1 1   -8   26   16 o   94.932   1.0661  8764.91  196.195  8575.63  283.176  8939.64  272.079   93.942   1.5529   95.921   1.4612 -1.979538 2.132260 
1 1 1   -8   26   17 o   59.942   0.7877  3486.75   91.572  3559.86  132.865  3420.59  126.383   60.540   1.1306   59.345   1.0971 1.194763 1.575391 
1 1 1   -8   26   18 o   30.701   4.2505  938.130  246.975  1286.17  371.293  661.931  330.762   36.090   5.2999   25.312   6.6466 10.77739 8.500911 
1 1 1   -8   26   19 o  138.717   1.3585 18723.62  365.763 18694.38  520.917 18752.05  513.692  138.607   1.9361  138.826   1.9062 -0.2190094 2.716959 
1 1 1   -8   26   20 o   10.614   2.0127  116.401   44.608   61.770   67.512  158.736   59.430   8.6919   3.1314   12.535   2.5295 -3.843436 4.025417 
1 1 1   -8   26   21 o   50.395   0.8110  2465.89   79.212  2505.35  115.632  2430.99  108.733   50.774   1.1732   50.017   1.1199 0.7563362 1.621900 
1 1 1   -8   26   22 o   74.993   0.8906  5461.53  125.306  5443.33  157.956  5492.42  205.813   74.841   1.0873   75.145   1.4109 -0.3041840 1.781253 
1 1 1   -8   26   23 o   28.772   1.0269  802.008   57.153  766.820   77.069  845.004   85.192   28.075   1.4141   29.468   1.4893 -1.392803 2.053715 
1 1 1   -8   26   24 o   66.452   0.8575  4276.34  107.590  4216.28  136.610  4374.45  174.598   65.856   1.0686   67.049   1.3415 -1.192627 1.715084 
1 1 1   -8   26   25 o   68.494   0.8951  4567.22  115.307  4564.24  145.998  4572.15  187.986   68.491   1.0981   68.496   1.4138 -0.4379272E-02 1.790181 
1 1 1   -8   26   26 o   18.064   1.6424  319.202   56.542  242.907   76.697  410.031   83.684   15.691   2.5180   20.436   2.1095 -4.744798 3.284852 
1 1 1   -8   26   27 o   15.748   1.9699  248.776   58.800  223.063   79.592  279.670   87.244   14.719   2.8887   16.776   2.6791 -2.056581 3.939823 
1 1 1   -8   26   28 o   60.636   0.8845  3556.10  101.562  3426.10  129.011  3767.99  164.700   59.238   1.1219   62.034   1.3677 -2.796440 1.769011 
1 1 1   -8   26   29 o   33.470   1.0936  1096.13   69.271  1071.24   88.169  1136.26  111.971   33.029   1.3752   33.912   1.7009 -0.8833961 2.187296 
1 1 1   -8   26   30 o   8.4191   2.4523   30.642   64.354   8.3660   84.563   61.296   99.198   7.5585   3.2355   9.2796   3.6860 -1.721114 4.904653 
1 1 1   -8   26   31 o   22.354   1.6183  489.444   68.330  431.804   85.504  591.315  113.670   20.668   2.1312   24.040   2.4359 -3.371754 3.236570 
1 1 1   -8   26   32 o   16.316   2.4888  300.577   74.211  293.487   92.971  313.027  123.201   16.346   3.0420   16.286   3.9399 0.6014061E-01 4.977651 
1 1 1   -8   27    1 o   77.766   0.8127  5850.71  114.661  5814.98  139.054  5926.62  202.673   77.398   0.9255   78.133   1.3363 -0.7345810 1.625492 
1 1 1   -8   27    2 o  269.808   1.5197 70795.74  769.345 71079.39  971.691 70319.17  1259.50  270.555   1.8502  269.062   2.4115 1.493408 3.039444 
1 1 1   -8   27    3 o   98.112   0.9597  9389.26  173.563  9487.84  214.741  9203.54  294.752   98.862   1.1190   97.362   1.5596 1.500114 1.919463 
1 1 1   -8   27    4 o   29.622   0.8788  880.273   38.912  897.238   43.215  807.583   89.452   30.403   0.7322   28.840   1.5978 1.562979 1.757592 
1 1 1   -8   27    5 o  307.044   1.5616 91736.46  885.708 92119.54  1096.71 91018.02  1501.91  308.001   1.8343  306.087   2.5277 1.914093 3.123169 
1 1 1   -8   27    6 o  269.516   2.0320 70357.30  1042.22 69412.29  1342.74 71789.51  1653.00  267.281   2.5880  271.752   3.1335 -4.470642 4.064072 
1 1 1   -8   27    7 o  144.250   2.5022 20572.87  545.709 20774.90  606.603 19715.45  1249.67  146.242   2.1368  142.258   4.5254 3.984024 5.004485 
1 1 1   -8   27    8 o   64.842   3.5234  4759.06  182.422  4833.33  187.443  3428.32  793.443   70.553   1.3686   59.130   6.9126 11.42353 7.046816 
1 1 1   -8   27    9 o  140.415   2.1499 19157.41  586.003 19157.41  586.003   0.0000   0.0000  140.415   2.1499  ?   ?       ?      ? 
1 1 1   -8   27   10 o  101.113   2.9355  9974.24  316.219  9976.33  330.109  9950.94  1101.70  101.350   1.6779  100.876   5.6262 0.4738770 5.871046 
1 1 1   -8   27   11 o   62.080   0.8876  3730.73  105.697  3814.26  163.274  3670.48  138.676   62.675   1.3420   61.485   1.1619 1.189220 1.775110 
1 1 1   -8   27   12 f   32.809   0.4979  1044.14   31.651  1031.87   43.370  1058.12   46.297   32.603   0.6853   33.015   0.7224 -0.4119301 0.9957100 
1 1 1   -8   27   13 o  108.213   1.0009 11391.68  206.907 11473.94  270.180 11275.01  321.752  108.693   1.2805  107.732   1.5385 0.9612961 2.001713 
1 1 1   -8   27   14 o  135.577   1.3037 17881.69  341.596 17698.61  506.083 18034.92  462.970  134.930   1.9322  136.225   1.7508 -1.295288 2.607408 
1 1 1   -8   27   15 o   80.167   0.9537  6243.19  148.342  6243.39  213.063  6243.00  206.659   80.168   1.3691   80.167   1.3280 0.4043579E-03 1.907369 
1 1 1   -8   27   16 o   48.789   0.7007  2299.09   66.082  2440.25   99.132  2186.21   88.650   50.129   1.0187   47.449   0.9625 2.679684 1.401495 
1 1 1   -8   27   17 o   68.615   0.8642  4573.58  114.832  4575.23  168.281  4572.14  157.089   68.624   1.2633   68.605   1.1796 0.1888275E-01 1.728351 
1 1 1   -8   27   18 o  161.466   1.4736 25374.92  461.794 25361.36  658.844 25388.02  647.455  161.420   2.1026  161.512   2.0651 -0.9284973E-01 2.947134 
1 1 1   -8   27   19 o   16.184   6.7429   69.908  351.409   0.0000   0.0000   69.908  351.409  ?   ?    16.184   6.7429      ?      ? 
1 1 1   -8   27   20 o   79.026   1.0291  6070.42  157.833  5897.96  221.472  6248.40  224.989   77.885   1.4649   80.168   1.4458 -2.282280 2.058169 
1 1 1   -8   27   21 o   12.801   1.9436  165.215   46.824  187.133   68.846  146.350   63.872   13.604   2.7022   11.999   2.7944 1.605802 3.887244 
1 1 1   -8   27   22 o   52.268   0.9948  2654.60  100.938  2654.60  100.938   0.0000   0.0000   52.268   0.9948  ?   ?       ?      ? 
1 1 1   -8   27   23 o   95.717   1.0747  8768.48  189.775  8456.21  232.503  9391.77  328.479   93.246   1.2845   98.189   1.7234 -4.943214 2.149411 
1 1 1   -8   27   24 o   16.148   1.8516  263.465   54.119  158.776   73.887  384.639   79.492   12.455   3.0746   19.841   2.0639 -7.385883 3.703118 
1 1 1   -8   27   25 o   77.455   0.9495  5867.66  137.889  5933.35  174.333  5757.90  225.356   78.076   1.1503   76.834   1.5110 1.241997 1.898976 
1 1 1   -8   27   26 o   37.047   0.9052  1334.47   64.939  1286.22   88.251  1391.45   95.901   36.323   1.2516   37.772   1.3079 -1.448959 1.810330 
1 1 1   -8   27   27 o   53.345   0.8532  2782.33   87.025  2812.45  114.014  2740.30  134.701   53.716   1.0934   52.973   1.3099 0.7424126 1.706317 
1 1 1   -8   27   28 o   18.466   1.7018  337.679   59.955  259.612   80.987  432.347   89.184   16.083   2.5942   20.850   2.2035 -4.767879 3.403660 
1 1 1   -8   27   29 o   37.583   0.9824  1379.32   71.339  1307.98   95.510  1469.35  107.292   36.504   1.3479   38.663   1.4296 -2.159271 1.964802 
1 1 1   -8   27   30 o   7.8796   2.3406   20.979   60.861   35.072   82.668   4.3025   89.930   8.0998   3.3120   7.6594   3.3083 0.4404006 4.681243 
1 1 1   -8   27   31 o   17.429   2.0078  326.323   64.880  360.480   87.064  283.667   97.294   18.766   2.3899   16.092   3.2270 2.674532 4.015623 
1 1 1   -8   27   32 o   19.320   1.9880  386.924   69.385  252.907   90.523  577.807  108.034   15.020   3.2025   23.619   2.3563 -8.598845 3.975913 
1 1 1   -8   28    1 o   92.425   0.9119  8298.35  154.515  8308.83  189.641  8277.66  266.507   92.516   1.0560   92.335   1.4869 0.1811218 1.823704 
1 1 1   -8   28    2 o  166.458   1.2586 26837.18  389.218 26670.77  483.936 27141.99  654.968  165.740   1.5042  167.176   2.0183 -1.435410 2.517136 
1 1 1   -8   28    3 o   42.200   0.8596  1729.79   69.887  1736.53   93.377  1721.21  105.379   42.294   1.1373   42.106   1.2893 0.1880989 1.719241 
1 1 1   -8   28    4 o  257.674   1.7140 64868.14  782.143 65403.23  933.701 63609.36  1432.08  259.515   1.8534  255.832   2.8837 3.683197 3.427949 
1 1 1   -8   28    5 o  130.727   1.0776 16620.88  246.569 16656.74  291.513 16530.74  462.210  130.987   1.1465  130.468   1.8250 0.5190735 2.155259 
1 1 1   -8   28    6 o   97.375   0.9782  9363.99  163.171  9548.80  191.283  8870.16  312.674   99.178   0.9936   95.572   1.6854 3.606323 1.956443 
1 1 1   -8   28    7 o  160.861   2.5229 25040.98  643.585 24935.71  724.204 25436.41  1403.59  160.190   2.3289  161.533   4.4762 -1.342621 5.045861 
1 1 1   -8   28    8 o  120.655   2.5529 14008.84  404.961 13950.43  434.314 14397.71  1120.58  119.839   1.8670  121.471   4.7523 -1.632362 5.105878 
1 1 1   -8   28    9 f   34.197   4.9013  1828.38  102.840  1862.39  104.009  341.572  687.694   43.797   1.2234   24.598   9.7259 19.19874 9.802559 
1 1 1   -8   28   10 o  103.416   1.7221 10387.70  345.711 10387.70  345.711   0.0000   0.0000  103.416   1.7221  ?   ?       ?      ? 
1 1 1   -8   28   11 o   59.960   0.7063  3527.25   78.993  3629.45   99.619  3354.14  129.648   61.145   0.8393   58.775   1.1363 2.369675 1.412686 
1 1 1   -8   28   12 o  143.647   1.4314 20124.29  380.652 20284.16  472.986 19830.39  641.298  144.492   1.6863  142.803   2.3134 1.688599 2.862807 
1 1 1   -8   28   13 o   68.080   0.7261  4461.82   93.182  4343.90  117.674  4660.07  152.583   66.888   0.9063   69.273   1.1347 -2.384773 1.452198 
1 1 1   -8   28   14 o   86.865   0.8553  7297.97  140.359  7198.40  178.413  7459.68  227.368   86.097   1.0675   87.633   1.3366 -1.535934 1.710561 
1 1 1   -8   28   15 o  107.205   1.1483 11134.21  237.931 11530.51  355.928 10814.04  319.915  108.919   1.6834  105.491   1.5623 3.428032 2.296638 
1 1 1   -8   28   16 o   31.342   0.6796  959.209   41.113  866.342   59.202  1045.71   57.138   29.868   1.0211   32.816   0.8970 -2.948845 1.359114 
1 1 1   -8   28   17 o   59.578   0.8006  3449.25   92.549  3386.67  132.108  3509.56  129.694   59.046   1.1526   60.110   1.1115 -1.063461 1.601214 
1 1 1   -8   28   18 o   85.148   1.0354  7060.79  170.449  6881.38  250.864  7214.63  232.306   84.136   1.5360   86.161   1.3889 -2.025452 2.070866 
1 1 1   -8   28   19 o   62.523   0.8711  3786.38  105.519  3989.01  155.310  3612.65  143.806   64.071   1.2487   60.976   1.2149 3.095482 1.742249 
1 1 1   -8   28   20 o   54.504   0.8198  2882.05   86.583  2963.15  126.906  2811.44  118.426   55.219   1.1839   53.790   1.1342 1.429375 1.639542 
1 1 1   -8   28   21 o   39.805   0.8042  1540.04   61.825  1536.97   92.127  1542.55   83.392   39.767   1.1934   39.844   1.0782 -0.7709503E-01 1.608362 
1 1 1   -8   28   22 o   76.016   1.0296  5621.25  151.893  5455.62  213.727  5790.29  215.908   74.883   1.4703   77.149   1.4417 -2.266197 2.059206 
1 1 1   -8   28   23 o   40.027   0.8463  1568.10   65.331  1704.57   90.258  1417.92   94.684   41.874   1.1104   38.181   1.2775 3.692699 1.692633 
1 1 1   -8   28   24 o   43.119   0.8361  1819.46   68.872  1872.08   90.487  1747.00  106.185   43.874   1.0625   42.363   1.2912 1.511299 1.672168 
1 1 1   -8   28   25 o   31.673   1.3725  977.920   84.384  977.920   84.384   0.0000   0.0000   31.673   1.3725  ?   ?       ?      ? 
1 1 1   -8   28   26 o   29.192   1.0301  831.538   58.338  872.478   83.993  793.381   81.088   29.887   1.4478   28.498   1.4658 1.389198 2.060263 
1 1 1   -8   28   27 o   21.469   1.3901  452.974   57.849  432.424   79.275  476.380   84.606   20.952   1.9491   21.986   1.9824 -1.033592 2.780117 
1 1 1   -8   28   28 o   19.477   1.5695  379.037   59.186  402.767   82.817  354.265   84.616   20.124   2.1200   18.830   2.3149 1.294050 3.138959 
1 1 1   -8   28   29 o   14.707   2.1135  227.205   58.219  193.392   79.273  266.796   85.778   13.462   3.0980   15.952   2.8759 -2.490209 4.227100 
1 1 1   -8   28   30 o   37.041   1.0200  1348.76   72.968  1299.45   97.679  1411.02  109.758   36.302   1.3861   37.779   1.4967 -1.477200 2.039939 
1 1 1   -8   28   31 o   18.406   1.9082  349.604   67.088  334.669   86.752  371.823  105.816   18.019   2.4801   18.793   2.9006 -0.7733765 3.816372 
1 1 1   -8   29    1 o   61.933   0.7791  3768.78   86.075  3840.61  103.597  3608.67  154.676   62.901   0.8485   60.966   1.3070 1.934208 1.558219 
1 1 1   -8   29    2 o  107.668   0.9868 11300.73  196.611 11407.94  244.284 11103.55  331.283  108.401   1.1609  106.934   1.5959 1.467308 1.973507 
1 1 1   -8   29    3 o  147.015   1.2067 20924.30  327.533 20781.25  404.211 21197.80  558.917  146.298   1.4233  147.733   1.9490 -1.435028 2.413368 
1 1 1   -8   29    4 o  131.768   1.0731 16997.50  248.317 17187.30  294.922 16535.25  460.255  133.055   1.1419  130.482   1.8171 2.573547 2.146104 
1 1 1   -8   29    5 f  125.840   1.0822 15576.83  238.867 15852.21  283.949 14910.17  441.793  127.781   1.1447  123.899   1.8369 3.881874 2.164396 
1 1 1   -8   29    6 o  230.609   1.7759 51782.25  744.528 51954.38  906.839 51426.29  1304.11  231.256   2.0201  229.961   2.9214 1.294449 3.551836 
1 1 1   -8   29    7 o  152.697   2.6355 23300.16  623.441 23711.11  699.817 21719.70  1372.40  156.201   2.3080  149.194   4.7387 7.006516 5.270901 
1 1 1   -8   29    8 o   55.937   3.3196  2670.23  125.242  2647.05  127.001  3489.83  755.093   52.213   1.2530   59.661   6.5199 -7.448090 6.639217 
1 1 1   -8   29    9 o  111.068   2.7978 12602.42  383.231 12785.39  408.737 11272.13  1102.12  114.727   1.8353  107.408   5.2860 7.318245 5.595515 
1 1 1   -8   29   10 o   83.476   3.5956  7118.49  244.800  7151.48  251.008  6476.15  1107.52   85.812   1.5069   81.140   7.0315 4.671623 7.191174 
1 1 1   -8   29   11 o  104.907   1.3172 10687.93  268.235 10687.93  268.235   0.0000   0.0000  104.907   1.3172  ?   ?       ?      ? 
1 1 1   -8   29   12 o  106.705   1.1104 11138.40  220.159 11333.02  275.443 10794.10  366.355  108.020   1.3136  105.390   1.7908 2.630775 2.220893 
1 1 1   -8   29   13 o   44.432   0.5611  1920.28   47.816  1940.78   63.110  1892.64   73.266   44.712   0.7271   44.152   0.8549 0.5600052 1.122267 
1 1 1   -8   29   14 o   83.969   1.0021  6878.46  162.449  6527.53  238.877  7180.39  221.572   81.964   1.5014   85.975   1.3276 -4.011391 2.004180 
1 1 1   -8   29   15 o   39.760   0.6286  1523.80   48.244  1638.01   73.028  1435.35   64.265   41.072   0.9160   38.449   0.8610 2.623680 1.257131 
1 1 1   -8   29   16 o   47.368   0.6986  2175.38   63.979  2218.51   95.263  2139.94   86.351   47.794   1.0268   46.942   0.9476 0.8516922 1.397250 
1 1 1   -8   29   17 o   26.891   0.8480  710.757   43.319  658.994   67.267  747.435   56.624   26.042   1.3306   27.741   1.0515 -1.698362 1.695962 
1 1 1   -8   29   18 o   58.244   0.8127  3269.95   91.329  3520.29  138.707  3078.36  121.345   60.195   1.1871   56.293   1.1105 3.901585 1.625499 
1 1 1   -8   29   19 o   53.406   0.8224  2777.50   85.058  2642.42  122.555  2903.04  118.146   52.148   1.2107   54.664   1.1134 -2.516014 1.644831 
1 1 1   -8   29   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   29   21 o   51.242   0.8391  2556.02   83.332  2471.16  120.038  2634.95  115.775   50.417   1.2265   52.066   1.1455 -1.649487 1.678247 
1 1 1   -8   29   22 o   48.073   0.8556  2235.47   79.500  2365.25  119.226  2131.56  106.679   49.321   1.2453   46.826   1.1736 2.495178 1.711188 
1 1 1   -8   29   23 o   89.917   1.0261  7837.32  171.535  7756.52  213.286  7985.30  288.637   89.301   1.2304   90.533   1.6424 -1.232231 2.052160 
1 1 1   -8   29   24 o   58.806   0.8327  3386.77   93.315  3483.28  121.891  3250.11  145.042   59.841   1.0493   57.771   1.2934 2.070271 1.665479 
1 1 1   -8   29   25 o   27.709   1.0613  749.144   56.920  828.350   81.702  674.445   79.344   29.138   1.4445   26.281   1.5553 2.856712 2.122601 
1 1 1   -8   29   26 o   50.031   0.8173  2439.10   78.535  2434.27  103.742  2445.57  120.195   49.988   1.0691   50.073   1.2366 -0.8490753E-01 1.634644 
1 1 1   -8   29   27 o   7.1672   2.1694 -19.8342   57.138 -80.1225   79.300   45.258   82.399   5.8167   2.7364   8.5178   3.3670 -2.701089 4.338731 
1 1 1   -8   29   28 o   41.803   0.8819  1708.40   71.476  1645.46   98.095  1779.64  104.359   40.989   1.2329   42.618   1.2615 -1.629578 1.763871 
1 1 1   -8   29   29 o   41.168   0.9245  1664.03   73.607  1659.63   99.854  1669.26  108.930   41.129   1.2507   41.207   1.3618 -0.7821655E-01 1.848964 
1 1 1   -8   29   30 o   18.245   1.9587  357.358   65.263  400.290   86.093  299.357  100.068   19.882   2.2307   16.607   3.2203 3.274710 3.917430 
1 1 1   -8   29   31 f   24.350   1.5606  617.735   71.971  692.308   96.268  523.235  108.369   26.211   1.8921   22.490   2.4823 3.721132 3.121192 
1 1 1   -8   30    1 o   84.493   0.8762  6922.10  134.549  6905.09  163.592  6957.67  236.544   84.337   0.9993   84.648   1.4396 -0.3106918 1.752382 
1 1 1   -8   30    2 o   99.213   0.9792  9490.74  175.407  9377.62  211.538  9739.67  313.814   98.281   1.1088  100.146   1.6143 -1.864296 1.958386 
1 1 1   -8   30    3 f  106.820   0.9994 11063.74  195.931 11030.50  240.486 11129.37  337.906  106.590   1.1623  107.051   1.6261 -0.4613800 1.998749 
1 1 1   -8   30    4 o  166.432   1.2405 26887.98  367.149 26864.40  438.591 26943.21  671.164  166.333   1.3584  166.530   2.0762 -0.1969604 2.481082 
1 1 1   -8   30    5 o  140.085   1.1308 19166.30  279.136 19318.59  332.013 18799.11  515.542  141.057   1.2125  139.112   1.9091 1.945114 2.261636 
1 1 1   -8   30    6 o  127.453   1.2869 15772.87  318.383 15772.87  318.383   0.0000   0.0000  127.453   1.2869  ?   ?       ?      ? 
1 1 1   -8   30    7 o  112.352   2.5449 12137.64  237.779 12121.56  243.662 12458.45  1088.62  111.737   1.1234  112.967   4.9643 -1.230103 5.089856 
1 1 1   -8   30    8 o  149.979   2.6260 21731.59  589.878 21633.46  651.574 22177.39  1388.78  149.204   2.2497  150.753   4.7457 -1.548355 5.251944 
1 1 1   -8   30    9 o  121.910   2.9835 15349.51  462.363 15647.82  496.149 13380.27  1274.77  126.903   2.0141  116.917   5.6168 9.986473 5.966991 
1 1 1   -8   30   10 o   28.473   5.5578  259.734   72.520  249.510   72.768  1747.28  877.760   16.019   2.3401   40.926   10.866 -24.90720 11.11557 
1 1 1   -8   30   11 o  120.799   3.0289 14050.69  335.026 14022.24  345.282 14508.24  1384.88  120.145   1.4805  121.454   5.8740 -1.308281 6.057738 
1 1 1   -8   30   12 o   78.799   0.8587  6056.54  126.401  6128.19  158.991  5933.45  208.384   79.442   1.0310   78.156   1.3735 1.286140 1.717416 
1 1 1   -8   30   13 f  134.521   1.2283 17582.39  311.179 17564.78  394.724 17611.31  505.792  134.454   1.5124  134.587   1.9360 -0.1326599 2.456681 
1 1 1   -8   30   14 o   88.359   0.8789  7589.99  147.400  7615.17  189.690  7551.62  234.178   88.551   1.1035   88.166   1.3683 0.3844147 1.757842 
1 1 1   -8   30   15 f   66.099   0.8333  4244.95  106.779  4224.79  154.859  4263.22  147.431   65.948   1.2097   66.250   1.1464 -0.3020706 1.666593 
1 1 1   -8   30   16 o   55.399   0.7552  2958.21   80.611  3159.97  123.187  2807.11  106.605   57.037   1.1126   53.762   1.0215 3.275562 1.510416 
1 1 1   -8   30   17 o   88.228   1.0701  7566.08  182.510  7572.77  270.830  7560.51  247.026   88.257   1.5808   88.198   1.4428 0.5933380E-01 2.140270 
1 1 1   -8   30   18 o   68.261   0.9154  4523.33  121.133  4617.56  176.599  4439.61  166.466   68.930   1.3198   67.592   1.2687 1.338005 1.830717 
1 1 1   -8   30   19 o   88.432   1.1297  7602.13  193.864  7367.03  270.574  7850.13  277.904   87.027   1.6016   89.836   1.5936 -2.809135 2.259386 
1 1 1   -8   30   20 o  138.172   1.7008 18628.03  456.160 18460.70  642.589 18798.01  647.655  137.546   2.4067  138.798   2.4038 -1.251816 3.401528 
1 1 1   -8   30   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   30   22 o   19.229   1.4939  370.819   54.145  305.428   82.264  420.796   71.918   17.676   2.3975   20.781   1.7828 -3.104502 2.987714 
1 1 1   -8   30   23 o   43.754   1.1007  1861.65   93.486  1861.65   93.486   0.0000   0.0000   43.754   1.1007  ?   ?       ?      ? 
1 1 1   -8   30   24 o   51.542   0.8176  2570.65   80.638  2499.79  104.853  2673.24  126.160   50.688   1.0656   52.395   1.2404 -1.706596 1.635295 
1 1 1   -8   30   25 o   26.100   1.1111  665.952   56.213  621.395   79.079  711.462   79.920   25.212   1.6158   26.988   1.5255 -1.775843 2.222179 
1 1 1   -8   30   26 o   7.4051   2.1886   10.174   53.497   34.857   73.596 -17.4791   77.900   7.9488   3.1694   6.8614   3.0191 1.087349 4.377247 
1 1 1   -8   30   27 o   35.201   0.9674  1218.27   65.837  1289.27   90.976  1140.20   95.396   36.299   1.2911   34.103   1.4410 2.196648 1.934828 
1 1 1   -8   30   28 o   37.239   0.9393  1362.50   67.810  1425.63   95.162  1297.38   96.651   38.129   1.2857   36.349   1.3698 1.780426 1.878646 
1 1 1   -8   30   29 o   22.339   1.4643  499.630   63.470  493.854   88.251  505.820   91.350   22.213   2.0466   22.465   2.0948 -0.2513409 2.928644 
1 1 1   -8   30   30 o   42.240   0.9640  1761.21   78.797  1762.46  107.353  1759.75  116.021   42.284   1.3079   42.196   1.4165 0.8854294E-01 1.927932 
1 1 1   -8   30   31 o   22.611   1.5519  519.646   67.844  464.716   91.781  585.816  100.734   21.289   2.2209   23.932   2.1683 -2.643358 3.103899 
1 1 1   -8   31    1 o  147.628   1.2200 21259.82  333.931 21482.55  415.940 20855.94  560.100  148.737   1.4406  146.520   1.9693 2.216644 2.439949 
1 1 1   -8   31    2 o  121.932   1.0743 14470.97  242.011 14546.16  299.781 14330.26  410.084  122.398   1.2617  121.466   1.7392 0.9324265 2.148681 
1 1 1   -8   31    3 o   77.944   0.8378  5951.53  119.129  6057.22  146.111  5741.96  205.753   78.990   0.9529   76.898   1.3784 2.092171 1.675688 
1 1 1   -8   31    4 o  169.793   1.2505 28077.57  377.676 28190.58  451.808 27815.43  688.125  170.387   1.3660  169.199   2.0951 1.188660 2.501084 
1 1 1   -8   31    5 o   38.666   0.8033  1490.75   49.571  1521.90   56.269  1382.78  104.759   39.596   0.7321   37.736   1.4301 1.859951 1.606614 
1 1 1   -8   31    6 o   22.137   2.8536  532.029   25.404  533.127   25.553  438.339  236.020   23.436   0.5617   20.838   5.6794 2.597584 5.707122 
1 1 1   -8   31    7 o  107.264   2.6490 11294.46  221.687 11302.75  226.570 11108.43  1073.53  107.898   1.0817  106.630   5.1864 1.267410 5.298039 
1 1 1   -8   31    8 o  143.307   2.7398 20814.42  401.688 20962.14  418.499 19085.69  1431.67  146.917   1.4674  139.696   5.2795 7.220795 5.479634 
1 1 1   -8   31    9 o   26.187   5.4248  676.314   84.736  680.561   85.131  222.303  880.175   26.468   1.6569   25.906   10.722 0.5616817 10.84967 
1 1 1   -8   31   10 o   94.078   3.4056  8323.43  287.530  8280.67  295.732  9062.41  1229.38   92.319   1.6502   95.838   6.6082 -3.518600 6.811178 
1 1 1   -8   31   11 o   44.016   5.8076  1657.53   54.885  1655.70   54.961  2322.56  1046.83   41.298   0.6856   46.734   11.595 -5.435368 11.61515 
1 1 1   -8   31   12 o  117.784   1.2155 13602.82  265.813 13908.61  332.730 13063.37  441.929  119.654   1.4325  115.914   1.9640 3.739182 2.430956 
1 1 1   -8   31   13 o   74.716   0.9329  5418.11  134.574  5468.62  201.524  5377.45  180.792   75.027   1.3837   74.405   1.2517 0.6217499 1.865870 
1 1 1   -8   31   14 o   50.810   0.6113  2517.32   59.477  2575.01   78.446  2439.32   91.218   51.499   0.7847   50.121   0.9376 1.378613 1.222605 
1 1 1   -8   31   15 o   30.490   0.6680  904.979   39.038  888.785   59.879  916.951   51.484   30.251   1.0197   30.730   0.8631 -0.4783592 1.335910 
1 1 1   -8   31   16 o   72.696   0.9154  5112.46  128.451  5335.81  193.850  4937.63  171.510   74.102   1.3476   71.290   1.2393 2.812164 1.830866 
1 1 1   -8   31   17 o   20.483   1.0367  403.715   40.726  433.482   63.554  382.976   53.049   21.116   1.5505   19.851   1.3767 1.264688 2.073482 
1 1 1   -8   31   18 o   76.093   0.9856  5628.77  145.570  5564.97  206.335  5692.00  205.402   75.663   1.4048   76.523   1.3828 -0.8605576 1.971183 
1 1 1   -8   31   19 o   58.772   0.8550  3347.81   97.256  3473.09  144.136  3243.10  131.775   59.776   1.2422   57.768   1.1751 2.008739 1.709937 
1 1 1   -8   31   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   31   21 o   51.087   0.8368  2535.31   82.662  2556.46  122.690  2517.73  111.863   51.278   1.2326   50.895   1.1323 0.3832321 1.673694 
1 1 1   -8   31   22 o   72.882   0.9936  5147.53  140.140  5434.22  208.268  4910.33  189.443   74.724   1.4358   71.039   1.3738 3.685043 1.987162 
1 1 1   -8   31   23 o  102.097   1.1408 10166.35  216.514 10170.91  269.894 10158.11  362.650  102.198   1.3605  101.996   1.8316 0.2017365 2.281615 
1 1 1   -8   31   24 o   37.183   0.8663  1333.29   62.216  1185.20   83.498  1518.14   93.288   34.883   1.2331   39.482   1.2172 -4.598427 1.732643 
1 1 1   -8   31   25 o   17.565   1.5741  303.899   53.671  302.840   75.901  304.959   75.903   17.533   2.2301   17.596   2.2222 -0.6214714E-01 3.148249 
1 1 1   -8   31   26 o   34.506   0.9483  1159.66   63.387  1106.62   86.290  1221.83   93.420   33.655   1.3208   35.357   1.3611 -1.701370 1.896654 
1 1 1   -8   31   27 o   44.669   0.8574  1927.36   73.544  1796.84   95.975  2113.01  114.465   42.876   1.1531   46.462   1.2692 -3.585220 1.714775 
1 1 1   -8   31   28 o   14.506   2.0894  223.627   57.719  153.906   82.007  292.072   81.253   11.984   3.3792   17.027   2.4583 -5.042817 4.178789 
1 1 1   -8   31   29 o   26.267   1.2761  686.720   64.809  683.676   87.797  690.365   96.069   26.232   1.7242   26.302   1.8816 -0.6998634E-01 2.552146 
1 1 1   -8   31   30 o   15.775   2.1902  267.908   65.532  208.681   90.636  332.783   94.859   13.664   3.4240   17.886   2.7321 -4.222168 4.380477 
1 1 1   -8   31   31 o   11.160   2.7759  139.525   76.251  100.694  112.741  172.263  103.519   10.195   3.9655   12.126   3.8855 -1.931082 5.551723 
1 1 1   -8   32    1 o   65.967   0.8843  4243.23  112.352  4386.21  151.260  4067.25  167.804   67.214   1.1593   64.720   1.3357 2.493332 1.768611 
1 1 1   -8   32    2 o   14.288   1.7951  191.114   39.314  183.646   43.800  222.076   89.184   13.751   1.6409   14.825   3.1933 -1.074168 3.590210 
1 1 1   -8   32    3 o  111.665   1.0343 12180.35  213.727 12351.68  265.874 11867.44  359.318  112.790   1.2143  110.539   1.6745 2.250343 2.068508 
1 1 1   -8   32    4 o   13.060   1.6316  169.711   25.535  169.906   27.099  168.166   76.255   13.229   1.0553   12.891   3.0879 0.3378744 3.263252 
1 1 1   -8   32    5 o  181.351   1.3025 31949.62  422.590 31953.49  507.283 31940.85  763.896  181.398   1.4406  181.304   2.1705 0.9376526E-01 2.605094 
1 1 1   -8   32    6 o  192.154   1.6951 36461.75  505.820 36853.10  567.126 34939.51  1118.49  194.802   1.4998  189.506   3.0405 5.295807 3.390267 
1 1 1   -8   32    7 o   73.518   4.0300  6039.47  124.863  6060.14  125.741  4574.10  1058.83   79.010   0.8198   68.027   8.0183 10.98325 8.060086 
1 1 1   -8   32    8 o   47.987   5.8251  2295.87   55.182  2295.70   55.257  2357.83  1061.71   48.631   0.5853   47.342   11.636 1.289188 11.65026 
1 1 1   -8   32    9 o  131.934   3.0427 17841.39  409.020 17994.79  426.198 16052.69  1455.34  136.095   1.6133  127.772   5.8676 8.322372 6.085350 
1 1 1   -8   32   10 o   60.227   6.2382  3595.96  717.812  3424.62  927.043  3852.49  1134.31   58.593   8.1505   61.860   9.4462 -3.266769 12.47645 
1 1 1   -8   32   11 o  109.881   3.4383 12150.59  288.378 12178.92  294.599 11500.90  1410.64  111.973   1.3554  107.790   6.7417 4.183098 6.876631 
1 1 1   -8   32   12 o  167.425   1.6221 27432.09  505.437 27838.52  633.234 26718.59  839.019  169.206   1.9279  165.644   2.6093 3.562180 3.244298 
1 1 1   -8   32   13 o   19.584   0.6639  374.390   25.103  337.164   36.053  409.418   34.973   18.634   0.9967   20.534   0.8774 -1.900900 1.327877 
1 1 1   -8   32   14 o   88.656   0.9103  7683.89  152.898  7864.75  197.181  7411.14  242.141   89.983   1.1289   87.330   1.4284 2.653366 1.820594 
1 1 1   -8   32   15 o   44.911   0.5896  1961.86   50.669  1978.89   66.457  1938.20   78.306   45.146   0.7583   44.676   0.9029 0.4698677 1.179139 
1 1 1   -8   32   16 o   35.264   0.6981  1209.23   47.592  1190.97   70.260  1224.71   64.695   35.017   1.0336   35.512   0.9385 -0.4947433 1.396126 
1 1 1   -8   32   17 o   19.200   1.1072  362.518   40.225  339.017   63.349  378.394   52.068   18.668   1.7481   19.732   1.3594 -1.063118 2.214463 
1 1 1   -8   32   18 o   66.458   0.8984  4271.33  115.480  4535.61  172.389  4056.20  155.536   68.311   1.3000   64.604   1.2402 3.706879 1.796730 
1 1 1   -8   32   19 f   48.656   0.8136  2273.54   75.980  2474.83  118.426  2132.72   99.055   50.462   1.2090   46.850   1.0892 3.611591 1.627248 
1 1 1   -8   32   20 o   70.857   0.9641  4878.77  132.450  4971.24  192.858  4796.22  182.220   71.489   1.3897   70.225   1.3367 1.263992 1.928251 
1 1 1   -8   32   21 o   73.551   0.9999  5264.71  142.691  5206.16  204.221  5320.56  199.456   73.148   1.4382   73.953   1.3894 -0.8053818 1.999736 
1 1 1   -8   32   22 o   77.181   1.0419  5782.05  155.793  6079.17  229.297  5527.28  212.328   79.013   1.4950   75.348   1.4517 3.664925 2.083820 
1 1 1   -8   32   23 o   27.554   1.4315  739.967   76.569  739.967   76.569   0.0000   0.0000   27.554   1.4315  ?   ?       ?      ? 
1 1 1   -8   32   24 o   51.818   1.0457  2613.36  105.188  2613.36  105.188   0.0000   0.0000   51.818   1.0457  ?   ?       ?      ? 
1 1 1   -8   32   25 o   28.124   1.0535  771.467   57.409  708.956   79.367  840.067   83.142   26.927   1.5184   29.320   1.4608 -2.392336 2.107002 
1 1 1   -8   32   26 o   20.730   1.4319  425.808   56.481  323.215   77.992  538.950   81.904   18.057   2.2250   23.402   1.8030 -5.344063 2.863810 
1 1 1   -8   32   27 o   19.555   1.5939  390.839   58.131  513.043   82.348  269.453   82.072   22.762   1.8637   16.347   2.5864 6.415356 3.187872 
1 1 1   -8   32   28 o   25.463   1.1773  640.636   58.174  662.910   83.241  619.372   81.333   25.898   1.6558   25.028   1.6741 0.8699055 2.354583 
1 1 1   -8   32   29 o   22.679   1.4581  514.250   63.803  441.061   87.077  599.094   93.755   20.914   2.1448   24.444   1.9758 -3.529913 2.916195 
1 1 1   -8   32   30 o   24.357   1.4688  596.071   68.221  458.005   92.268  762.572  101.325   21.185   2.2437   27.529   1.8961 -6.344042 2.937573 
1 1 1   -8   33    1 o   75.266   0.8452  5569.55  116.425  5715.65  143.583  5289.09  198.933   76.730   0.9640   73.802   1.3886 2.927856 1.690397 
1 1 1   -8   33    2 o   92.231   0.9451  8265.16  159.033  8275.11  194.237  8244.94  276.990   92.322   1.0838   92.140   1.5486 0.1824875 1.890238 
1 1 1   -8   33    3 o   74.799   0.7877  5470.07   97.786  5505.81  112.406  5358.85  198.289   75.311   0.7689   74.287   1.3751 1.024139 1.575423 
1 1 1   -8   33    4 f   73.327   0.7871  5231.91   94.363  5241.75  107.620  5199.21  196.249   73.483   0.7545   73.171   1.3817 0.3116989 1.574230 
1 1 1   -8   33    5 o   30.009   0.8935  913.622   31.876  924.517   33.795  825.765   95.967   30.862   0.5641   29.156   1.6956 1.705254 1.786968 
1 1 1   -8   33    6 o  119.637   1.8087 14678.92  254.824 14887.02  270.014 12983.88  770.618  123.823   1.1234  115.451   3.4386 8.372559 3.617414 
1 1 1   -8   33    7 o   78.861   1.9602  6470.00  148.009  6536.94  153.504  5584.94  558.170   82.054   0.9637   75.668   3.8001 6.386208 3.920358 
1 1 1   -8   33    8 o  141.687   2.9150 19579.68  370.802 19575.45  381.823 19649.87  1554.51  141.964   1.3855  141.411   5.6630 0.5527649 5.830022 
1 1 1   -8   33    9 f  136.117   3.0876 18870.85  438.868 19017.01  458.227 17249.91  1526.00  139.893   1.6874  132.341   5.9401 7.551666 6.175135 
1 1 1   -8   33   10 o   74.906   4.7560  6409.77  162.738  6438.75  164.124  4714.97  1255.11   81.429   1.0383   68.383   9.4551 13.04639 9.511976 
1 1 1   -8   33   11 f  141.593   3.1965 20434.14  464.356 20581.68  484.018 18728.11  1645.94  145.519   1.7135  137.667   6.1591 7.851242 6.393001 
1 1 1   -8   33   12 o   35.849   0.7982  1289.03   47.476  1169.14   94.365  1329.66   54.935   34.690   1.4013   37.008   0.7647 -2.317402 1.596393 
1 1 1   -8   33   13 o   83.837   0.8808  6899.90  140.242  7211.12  182.840  6455.15  218.574   86.166   1.0931   81.508   1.3814 4.658012 1.761619 
1 1 1   -8   33   14 o   47.171   0.5965  2168.71   54.150  2228.01   72.552  2094.13   81.364   47.903   0.7802   46.438   0.9026 1.464508 1.193074 
1 1 1   -8   33   15 o   78.267   0.8696  5938.95  126.904  5906.94  158.544  5996.02  211.710   77.985   1.0473   78.550   1.3885 -0.5649033 1.739151 
1 1 1   -8   33   16 o   21.047   0.9221  428.781   37.330  442.609   57.166  418.501   49.289   21.340   1.3800   20.754   1.2234 0.5863342 1.844222 
1 1 1   -8   33   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   33   18 o  110.603   1.3722 11913.74  294.583 11988.10  419.644 11841.50  413.628  110.941   1.9486  110.264   1.9325 0.6772385 2.744344 
1 1 1   -8   33   19 o   83.686   1.0766  6798.65  174.636  7068.31  255.539  6562.35  239.212   85.237   1.5444   82.135   1.5003 3.101921 2.153196 
1 1 1   -8   33   20 o   42.778   0.8400  1790.72   69.288  1617.90  100.443  1947.61   95.705   40.791   1.2685   44.765   1.1014 -3.973774 1.679901 
1 1 1   -8   33   21 o   34.873   0.9371  1187.67   62.774  1148.62   95.062  1217.86   83.592   34.356   1.4254   35.389   1.2168 -1.032867 1.874151 
1 1 1   -8   33   22 o   37.486   0.9181  1382.56   66.029  1237.97   97.769  1503.81   89.531   35.655   1.4126   39.317   1.1731 -3.662338 1.836183 
1 1 1   -8   33   23 o   34.543   0.8338  1165.88   55.701  1248.17   77.540  1078.15   80.066   35.812   1.1154   33.274   1.2396 2.538795 1.667562 
1 1 1   -8   33   24 o   40.975   0.8325  1632.37   66.094  1581.93   90.232  1690.76   97.086   40.297   1.1535   41.653   1.2007 -1.356583 1.665037 
1 1 1   -8   33   25 o   19.540   1.3541  372.277   51.152  412.011   76.562  340.240   68.748   20.472   1.9266   18.607   1.9034 1.865551 2.708217 
1 1 1   -8   33   26 o   24.017   1.1978  568.265   55.755  533.235   79.012  603.008   78.688   23.268   1.7493   24.766   1.6368 -1.497974 2.395678 
1 1 1   -8   33   27 o   26.073   1.1983  677.346   60.006  574.348   85.778  776.057   83.974   24.075   1.8354   28.070   1.5411 -3.995066 2.396620 
1 1 1   -8   33   28 o   14.866   2.0571  234.678   56.910  229.438   85.287  238.884   76.408   14.635   3.0985   15.097   2.7068 -0.4611177 4.114296 
1 1 1   -8   33   29 o   32.506   1.0524  1046.14   66.380  1078.65   93.761  1013.48   93.989   33.023   1.4626   31.989   1.5136 1.034397 2.104839 
1 1 1   -8   33   30 o   21.900   1.7009  505.645   70.459  581.978   95.318  413.687  104.619   23.941   2.0510   19.859   2.7139 4.082325 3.401766 
1 1 1   -8   34    1 o  149.874   1.2496 21873.62  347.243 21998.98  431.978 21644.70  583.757  150.503   1.4786  149.245   2.0150 1.257950 2.499274 
1 1 1   -8   34    2 f   64.608   0.7750  4064.72   90.696  4086.07  110.151  4019.77  159.815   64.876   0.8747   64.340   1.2796 0.5367889 1.549970 
1 1 1   -8   34    3 o   83.426   0.8467  6860.06  119.471  6969.41  138.952  6550.05  233.969   84.729   0.8448   82.123   1.4677 2.606544 1.693459 
1 1 1   -8   34    4 o  122.217   1.0898 14417.66  227.848 14317.32  265.083 14701.48  445.820  121.430   1.1246  123.005   1.8671 -1.574760 2.179640 
1 1 1   -8   34    5 o  167.722   1.2782 27559.58  379.553 27892.68  453.458 26780.12  693.664  169.468   1.3784  165.976   2.1530 3.491638 2.556436 
1 1 1   -8   34    6 o  130.085   1.7969 17257.21  291.384 17513.22  311.283 15444.64  828.265  134.292   1.1941  125.878   3.3896 8.414146 3.593822 
1 1 1   -8   34    7 o  148.385   1.7599 21946.36  355.260 22163.63  384.859 20694.68  923.761  151.061   1.3125  145.709   3.2659 5.351883 3.519775 
1 1 1   -8   34    8 o   75.046   4.0113  6253.26  129.002  6273.69  129.933  4842.71  1079.68   80.386   0.8327   69.705   7.9793 10.68087 8.022642 
1 1 1   -8   34    9 o   64.741   4.4371  4144.42  111.153  4144.57  111.725  4129.52  1099.55   65.335   0.8809   64.146   8.8304 1.189857 8.874254 
1 1 1   -8   34   10 o   25.422   7.4802  175.771  515.815   73.550  582.960  544.419  1107.06   20.429   8.6095   30.414   12.235 -9.984409 14.96033 
1 1 1   -8   34   11 o   21.025   6.8147 -340.5460  554.438 -109.3512  625.383 -1189.6130  1198.47   19.627   8.5971   22.424   10.576 -2.796818 13.62936 
1 1 1   -8   34   12 o   98.204   3.7482 10866.96  264.305 10987.95  270.030  8103.97  1290.41  106.351   1.3080   90.057   7.3815 16.29308 7.496467 
1 1 1   -8   34   13 o   85.201   0.8890  7114.32  144.794  7456.10  191.659  6659.87  221.002   87.613   1.1269   82.788   1.3752 4.825729 1.777953 
1 1 1   -8   34   14 o   40.905   0.8763  1636.08   60.255  1604.48  119.915  1646.75   69.693   40.629   1.5205   41.181   0.8718 -0.5517769 1.752677 
1 1 1   -8   34   15 o  124.627   1.3285 15119.75  304.172 15138.14  374.150 15083.91  522.357  124.787   1.5446  124.467   2.1620 0.3199539 2.657036 
1 1 1   -8   34   16 o   84.762   1.0690  6969.94  175.649  7274.16  256.699  6702.10  240.867   86.496   1.5288   83.029   1.4945 3.467583 2.137936 
1 1 1   -8   34   17 o   66.268   0.8863  4259.83  113.843  4409.50  166.649  4128.86  155.886   67.356   1.2746   65.180   1.2320 2.175690 1.772687 
1 1 1   -8   34   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   34   19 o   24.285   1.0556  585.141   48.668  506.344   73.868  645.584   64.696   22.805   1.6687   25.766   1.2935 -2.961420 2.111274 
1 1 1   -8   34   20 o   23.300   1.1788  521.253   52.937  597.974   80.808  463.577   70.064   24.780   1.6799   21.820   1.6542 2.960590 2.357623 
1 1 1   -8   34   21 f   34.755   0.9546  1188.31   63.678  1051.97   93.648  1305.57   86.844   32.873   1.4676   36.638   1.2211 -3.765392 1.909141 
1 1 1   -8   34   22 o   18.595   1.5540  345.351   54.660  303.721   84.322  375.521   71.784   17.587   2.4699   19.603   1.8864 -2.015905 3.107916 
1 1 1   -8   34   23 o   25.064   1.1855  603.827   57.166  692.890   88.294  539.547   75.010   26.626   1.7083   23.502   1.6442 3.124401 2.370959 
1 1 1   -8   34   24 o   22.068   1.2475  476.675   53.359  485.856   77.908  468.564   73.231   22.263   1.8027   21.873   1.7248 0.3906498 2.494937 
1 1 1   -8   34   25 o   31.225   0.9594  953.764   58.075  895.857   82.057  1011.88   82.204   30.268   1.3966   32.182   1.3159 -1.913773 1.918863 
1 1 1   -8   34   26 o   8.4525   2.2730   49.193   52.473   84.448   78.137   20.235   70.817   9.5384   3.3759   7.3665   3.0446 2.171882 4.545987 
1 1 1   -8   34   27 o   11.559   2.3098  143.556   54.742  116.729   80.980  166.131   74.287   10.636   3.4395   12.482   3.0840 -1.845850 4.619654 
1 1 1   -8   34   28 o   13.336   2.1993  195.263   58.473  125.222   86.244  254.853   79.549   10.880   3.5517   15.793   2.5948 -4.913394 4.398561 
1 1 1   -8   34   29 o   20.094   1.6189  411.681   62.435  491.272   89.961  337.719   86.721   22.044   2.1023   18.143   2.4623 3.901157 3.237720 
1 1 1   -8   34   30 o   40.038   1.1676  1585.39   89.953  1762.46  138.819  1457.23  118.103   41.897   1.7069   38.179   1.5936 3.718670 2.335142 
1 1 1   -8   35    1 o   20.073   1.3120  371.763   44.035  354.111   50.176  430.932   91.862   19.095   1.3537   21.052   2.2479 -1.957466 2.624036 
1 1 1   -8   35    2 o   70.998   0.8274  4884.74  105.662  4868.11  127.285  4921.59  189.500   70.810   0.9260   71.185   1.3714 -0.3748093 1.654738 
1 1 1   -8   35    3 o   69.153   0.7767  4629.54   86.911  4618.19   98.590  4669.10  184.090   68.972   0.7364   69.335   1.3678 -0.3622742 1.553399 
1 1 1   -8   35    4 o   55.300   0.7290  2953.30   61.339  2943.56   68.080  2995.29  141.383   55.066   0.6369   55.534   1.3115 -0.4678345 1.457982 
1 1 1   -8   35    5 o   89.335   0.8803  7850.45  133.717  7960.54  155.880  7543.77  260.175   90.549   0.8868   88.120   1.5210 2.429001 1.760636 
1 1 1   -8   35    6 o   46.269   2.4054  2326.62   56.855  2336.27   57.430  1852.22  402.825   49.058   0.6031   43.479   4.7728 5.578930 4.810709 
1 1 1   -8   35    7 o  128.501   1.8318 17037.83  305.252 17395.91  328.758 14799.05  822.039  133.831   1.2655  123.171   3.4381 10.66051 3.663607 
1 1 1   -8   35    8 o  129.156   2.8724 17027.45  376.202 17158.39  391.746 15474.98  1348.89  132.892   1.5186  125.419   5.5405 7.472878 5.744821 
1 1 1   -8   35    9 o   86.153   3.2197  7289.63  180.191  7290.53  182.876  7259.62  1055.42   86.644   1.0873   85.662   6.3470 0.9819946 6.439471 
1 1 1   -8   35   10 o   30.802   6.2986  496.970   34.395  495.877   34.413  1578.95  1082.70   22.600   0.7844   39.005   12.573 -16.40538 12.59716 
1 1 1   -8   35   11 f   32.772   5.7786  1570.97   56.631  1575.47   56.689 -643.9971  1258.72   40.283   0.7249   25.261   11.534 15.02238 11.55713 
1 1 1   -8   35   12 f  111.872   1.2069 12124.85  247.377 12037.02  302.790 12301.14  428.990  111.297   1.4015  112.447   1.9653 -1.150017 2.413851 
1 1 1   -8   35   13 o  126.112   1.3502 15536.75  313.527 15681.06  387.381 15262.71  533.821  127.010   1.5712  125.213   2.1962 1.796967 2.700409 
1 1 1   -8   35   14 o  142.565   1.5210 19948.44  400.164 20322.29  496.897 19258.56  675.005  144.551   1.7708  140.579   2.4736 3.971680 3.042095 
1 1 1   -8   35   15 o   15.829   1.0293  242.156   31.536  266.181   46.657  221.950   42.789   16.548   1.4525   15.111   1.4588 1.437384 2.058585 
1 1 1   -8   35   16 o   95.944   1.0412  8989.80  184.860  9084.31  229.742  8816.25  311.337   96.688   1.2241   95.200   1.6847 1.487679 2.082460 
1 1 1   -8   35   17 o   94.676   1.1868  8722.79  218.099  8717.20  310.081  8728.26  306.821   94.644   1.6878   94.707   1.6689 -0.6278992E-01 2.373589 
1 1 1   -8   35   18 o   24.561   0.9545  578.224   45.181  668.594   68.872  509.949   59.863   26.222   1.3530   22.901   1.3466 3.321150 1.908945 
1 1 1   -8   35   19 o   53.307   0.8439  2761.09   86.922  2776.65  129.441  2748.31  117.304   53.440   1.2478   53.174   1.1364 0.2655220 1.687742 
1 1 1   -8   35   20 o   16.769   1.7337  299.936   50.917  196.174   78.111  376.600   67.141   13.878   2.9879   19.659   1.7594 -5.781379 3.467369 
1 1 1   -8   35   21 o   58.057   0.9019  3280.90  101.527  3078.84  142.822  3487.31  144.350   56.245   1.3081   59.868   1.2421 -3.622910 1.803880 
1 1 1   -8   35   22 o   26.245   1.1780  662.429   59.432  744.044   92.231  604.477   77.719   27.601   1.7214   24.888   1.6087 2.713223 2.356084 
1 1 1   -8   35   23 o   36.459   0.9572  1295.66   67.248  1302.52  101.535  1290.30   89.756   36.534   1.4317   36.383   1.2709 0.1509590 1.914386 
1 1 1   -8   35   24 o   16.108   1.6404  257.115   51.053  229.578   72.364  284.401   72.036   15.231   2.4476   16.985   2.1848 -1.754570 3.280856 
1 1 1   -8   35   25 o   9.7687   2.0729   76.575   52.280 -26.6053   74.127  178.694   73.745   6.4658   2.8891   13.072   2.9734 -6.605747 4.145845 
1 1 1   -8   35   26 f   21.640   1.3187  468.630   54.506  432.239   82.905  496.335   72.338   20.848   2.0486   22.433   1.6612 -1.584824 2.637463 
1 1 1   -8   35   27 o   24.947   1.2379  617.986   59.721  594.142   87.260  638.997   81.911   24.468   1.8372   25.426   1.6596 -0.9583397 2.475776 
1 1 1   -8   35   28 o   30.020   1.0897  886.264   63.292  975.178   94.069  812.719   85.553   31.385   1.5440   28.654   1.5381 2.731173 2.179397 
1 1 1   -8   35   29 o   15.954   1.9956  270.944   60.150  259.250   88.169  281.125   82.268   15.427   3.0524   16.480   2.5716 -1.053778 3.991225 
1 1 1   -8   35   30 o   39.940   1.1593  1620.23   88.031  1474.75  135.102  1727.58  116.050   38.212   1.8214   41.668   1.4348 -3.455650 2.318593 
1 1 1   -8   36    1 f   94.382   0.9793  8628.06  168.283  8582.00  204.801  8723.79  295.267   94.008   1.1223   94.756   1.6053 -0.7478027 1.958664 
1 1 1   -8   36    2 o  215.777   1.4901 45482.33  601.379 46073.29  757.990 44478.41  987.944  217.731   1.7934  213.822   2.3802 3.909058 2.980215 
1 1 1   -8   36    3 o   62.667   0.7777  3783.44   86.320  3740.85  102.549  3886.98  159.887   62.073   0.8511   63.261   1.3020 -1.187988 1.555486 
1 1 1   -8   36    4 o  137.394   1.1645 18394.61  279.121 18461.28  329.440 18224.98  525.475  137.872   1.2309  136.917   1.9771 0.9542542 2.328976 
1 1 1   -8   36    5 f   60.555   0.7564  3546.82   71.208  3537.55   79.591  3584.01  159.397   60.366   0.6792   60.743   1.3518 -0.3774109 1.512855 
1 1 1   -8   36    6 o  126.396   1.7863 15983.93  275.701 16112.77  293.103 14994.48  812.244  128.807   1.1722  123.986   3.3748 4.820099 3.572587 
1 1 1   -8   36    7 o   60.703   2.0964  3798.47   81.833  3811.58   83.092  3375.95  471.756   62.660   0.6831   58.747   4.1368 3.912926 4.192856 
1 1 1   -8   36    8 o   74.474   2.2593  6447.38  159.850  6632.94  166.634  4306.69  565.982   82.646   1.0387   66.301   4.3976 16.34459 4.518589 
1 1 1   -8   36    9 o  101.483   3.0932 10128.05  237.784 10131.48  242.704 10046.10  1186.96  102.132   1.2242  100.834   6.0641 1.297340 6.186406 
1 1 1   -8   36   10 o   78.274   4.0013  5487.60  142.040  5472.44  142.957  6658.53  1256.18   75.069   0.9810   81.479   7.9423 -6.409348 8.002626 
1 1 1   -8   36   11 o   25.975   6.9212  145.337   33.348  144.350   33.359  1634.16  1295.74   12.188   1.4100   39.763   13.770 -27.57499 13.84238 
1 1 1   -8   36   12 o   18.461   2.9978  485.748   37.687  494.227   38.063   63.373  268.639   22.560   0.8692   14.362   5.9323 8.198536 5.995590 
1 1 1   -8   36   13 o   74.832   1.0101  5442.85  145.578  5437.47  220.032  5447.03  194.147   74.793   1.5155   74.871   1.3358 -0.7812500E-01 2.020215 
1 1 1   -8   36   14 o   70.409   0.8003  4834.88  106.199  4896.94  135.356  4735.52  171.284   71.006   0.9820   69.811   1.2639 1.195557 1.600594 
1 1 1   -8   36   15 o   52.420   0.6651  2677.75   66.471  2717.50   86.578  2620.69  103.740   52.899   0.8431   51.942   1.0289 0.9576416 1.330212 
1 1 1   -8   36   16 o   6.5753   1.8292   22.175   34.957   2.4020   51.941   38.545   47.262   6.0670   2.5640   7.0837   2.6096 -1.016704 3.658431 
1 1 1   -8   36   17 o   45.585   0.7542  2019.19   66.525  2016.32   98.075  2021.63   90.538   45.553   1.1091   45.617   1.0225 -0.6385803E-01 1.508493 
1 1 1   -8   36   18 o   51.776   0.8034  2609.03   80.474  2561.86  118.147  2649.85  109.913   51.335   1.1856   52.216   1.0844 -0.8809624 1.606719 
1 1 1   -8   36   19 o   15.262   1.7211  246.887   46.596  170.490   72.215  301.384   60.992   12.935   2.9424   17.588   1.7864 -4.653791 3.442260 
1 1 1   -8   36   20 o   34.788   0.9514  1180.16   62.526  1165.89  100.425  1189.20   79.903   34.605   1.4950   34.970   1.1771 -0.3645248 1.902737 
1 1 1   -8   36   21 o   54.207   0.8837  2841.79   92.476  3030.03  139.820  2695.42  123.295   55.787   1.2911   52.627   1.2069 3.160160 1.767382 
1 1 1   -8   36   22 o   30.278   1.0836  892.214   63.043  911.374   96.722  878.061   83.126   30.550   1.6310   30.007   1.4271 0.5420952 2.167187 
1 1 1   -8   36   23 o   9.3004   2.3105   76.369   53.982   24.025   87.629  108.383   68.530   8.2329   3.3931   10.368   3.1370 -2.134920 4.621077 
1 1 1   -8   36   24 o   25.518   1.1128  643.276   54.584  584.636   80.618  692.911   74.170   24.416   1.7009   26.621   1.4353 -2.204428 2.225600 
1 1 1   -8   36   25 o   32.382   0.9317  1021.60   58.390  1137.43   85.704  921.256   79.768   34.091   1.2951   30.672   1.3397 3.419083 1.863354 
1 1 1   -8   36   26 o   17.075   1.7945  309.450   55.160  212.444   80.084  397.013   76.086   14.163   3.0059   19.987   1.9611 -5.823500 3.589055 
1 1 1   -8   36   27 o   21.537   1.4127  460.922   58.883  512.610   86.599  416.474   80.304   22.663   1.9685   20.411   2.0268 2.252272 2.825381 
1 1 1   -8   36   28 o   28.857   1.1329  829.013   63.220  794.292   92.280  859.723   86.786   28.253   1.6826   29.462   1.5175 -1.208303 2.265802 
1 1 1   -8   36   29 o   38.727   1.0903  1475.05   80.401  1584.86  128.529  1404.45  103.054   39.817   1.6629   37.636   1.4106 2.180954 2.180564 
1 1 1   -8   37    1 f  150.678   1.2734 22101.52  355.533 22183.50  441.753 21950.78  599.027  151.107   1.5060  150.249   2.0539 0.8579254 2.546839 
1 1 1   -8   37    2 o  146.365   1.2606 20929.73  341.769 21191.00  425.444 20454.37  573.879  147.690   1.4840  145.039   2.0383 2.650787 2.521281 
1 1 1   -8   37    3 o  217.585   1.4780 46078.56  581.703 46149.97  705.005 45926.24  1029.60  217.924   1.6666  217.245   2.4415 0.6793671 2.956059 
1 1 1   -8   37    4 o   82.761   0.8532  6674.72  118.607  6697.27  137.020  6607.31  236.878   83.054   0.8499   82.468   1.4797 0.5865555 1.706408 
1 1 1   -8   37    5 o   84.189   0.8595  6987.44  122.392  7098.38  142.352  6672.95  239.675   85.504   0.8577   82.874   1.4898 2.630066 1.719058 
1 1 1   -8   37    6 o   95.260   1.9194  9452.76  178.824  9556.73  185.805  8146.44  658.594   99.206   0.9648   91.313   3.7155 7.893570 3.838753 
1 1 1   -8   37    7 o   76.258   2.1166  6301.67  126.671  6367.25  129.844  5008.67  576.520   80.981   0.8260   71.534   4.1518 9.447220 4.233156 
1 1 1   -8   37    8 o   93.541   2.0704  9492.10  221.434  9752.51  234.704  7382.58  668.010  100.204   1.2066   86.878   3.9610 13.32559 4.140723 
1 1 1   -8   37    9 o   33.629   4.1637  1150.92  262.344  1322.49  363.438  964.276  379.077   36.654   5.1079   30.603   6.5769 6.050879 8.327436 
1 1 1   -8   37   10 o   13.238   2.7197  148.808   30.563  148.838   30.944  147.632  195.460   12.377   1.2879   14.098   5.2847 -1.721234 5.439337 
1 1 1   -8   37   11 o   39.267   3.5182  2852.52   87.729  3020.77   90.838  519.926  338.226   55.776   0.8390   22.757   6.9862 33.01865 7.036438 
1 1 1   -8   37   12 o   71.894   0.9793  5019.79  136.665  5019.79  136.665   0.0000   0.0000   71.894   0.9793  ?   ?       ?      ? 
1 1 1   -8   37   13 o  118.565   1.4821 13664.73  341.119 13664.73  341.119   0.0000   0.0000  118.565   1.4821  ?   ?       ?      ? 
1 1 1   -8   37   14 o   96.257   1.0446  9050.62  186.345  9155.19  232.069  8860.80  312.651   97.067   1.2316   95.446   1.6875 1.620605 2.089132 
1 1 1   -8   37   15 o   13.018   1.4586  174.821   33.742   95.296   46.988  259.494   48.485   9.7005   2.4844   16.335   1.5290 -6.634735 2.917237 
1 1 1   -8   37   16 o  100.613   1.0920  9880.49  203.715  9961.14  253.626  9733.86  341.977  101.228   1.2907   99.999   1.7617 1.228569 2.183938 
1 1 1   -8   37   17 o   18.007   1.2270  322.267   41.449  287.503   65.764  345.178   53.387   17.176   1.9725   18.837   1.4600 -1.661476 2.454018 
1 1 1   -8   37   18 o   71.536   0.9524  4972.49  132.112  5069.89  191.945  4884.81  182.111   72.198   1.3696   70.873   1.3237 1.325180 1.904706 
1 1 1   -8   37   19 o   45.462   0.8037  2000.28   70.549  2092.96  106.310  1927.34   94.308   46.396   1.1804   44.528   1.0911 1.867702 1.607413 
1 1 1   -8   37   20 o   8.2568   2.2830   32.962   51.258   70.865   87.640   13.256   63.193   9.5640   3.5477   6.9495   2.8744 2.614457 4.566047 
1 1 1   -8   37   21 o   10.582   2.1950  114.228   53.200   29.762   84.576  169.527   68.434   8.2972   3.3662   12.867   2.8178 -4.570031 4.389931 
1 1 1   -8   37   22 o   22.335   1.3687  507.293   55.752  429.817   92.551  551.419   69.846   20.905   2.2807   23.766   1.5140 -2.860847 2.737487 
1 1 1   -8   37   23 o   7.9625   2.3202   22.750   55.241   29.809   95.332   19.182   67.780   8.6471   3.5486   7.2779   2.9901 1.369188 4.640339 
1 1 1   -8   37   24 o   10.032   2.3237   97.650   51.550  110.183   80.553   88.958   67.087   10.528   3.4323   9.5368   3.1334 0.9908876 4.647436 
1 1 1   -8   37   25 o   12.350   2.1417  161.687   52.571  220.330   74.690  104.113   74.007   14.556   2.7440   10.143   3.2889 4.412306 4.283316 
1 1 1   -8   37   26 o   24.791   1.2348  609.881   59.200  579.452   86.091  637.176   81.537   24.178   1.8343   25.403   1.6535 -1.225307 2.469529 
1 1 1   -8   37   27 o   20.868   1.4655  445.569   58.066  377.094   86.901  500.801   78.046   19.304   2.3191   22.431   1.7924 -3.127542 2.931014 
1 1 1   -8   37   28 o   18.722   1.6516  355.194   59.809  390.506   89.206  326.359   80.611   19.555   2.3500   17.888   2.3215 1.667490 3.303280 
1 1 1   -8   37   29 o   35.227   1.1525  1247.60   77.639  1207.24  119.339  1277.22  102.231   34.631   1.7752   35.823   1.4701 -1.191467 2.304925 
1 1 1   -8   38    1 o   81.381   2.0711  6805.90  164.228  6864.04  170.475  6055.90  612.268   84.074   1.0446   78.689   4.0083 5.384216 4.142172 
1 1 1   -8   38    2 o   45.547   2.5340  2001.24   55.804  2000.44   56.246  2051.48  446.009   45.394   0.6383   45.700   5.0277 -0.3052826 5.068008 
1 1 1   -8   38    3 o   47.382   0.7327  2242.59   53.636  2285.19   60.164  2077.62  118.392   48.518   0.6388   46.247   1.3188 2.270760 1.465355 
1 1 1   -8   38    4 o  127.863   1.1196 15989.48  248.879 16118.85  293.433 15657.83  469.815  128.826   1.1734  126.900   1.9072 1.925560 2.239258 
1 1 1   -8   38    5 o   73.623   0.8068  5162.85   95.215  5086.79  107.292  5444.78  206.570   72.384   0.7636   74.861   1.4215 -2.477341 1.613606 
1 1 1   -8   38    6 o   67.210   2.2769  4921.12  102.653  4958.69  104.497  3884.62  548.827   71.467   0.7532   62.953   4.4911 8.513527 4.553810 
1 1 1   -8   38    7 o   96.596   2.0174  9704.59  222.196  9859.94  234.649  8356.47  691.242  100.754   1.1998   92.439   3.8522 8.314507 4.034715 
1 1 1   -8   38    8 o   90.622   2.0347  8448.83  197.860  8542.54  207.297  7489.31  663.312   93.781   1.1387   87.464   3.9068 6.317612 4.069401 
1 1 1   -8   38    9 o   99.260   1.2482  9571.90  240.510  9571.90  240.510   0.0000   0.0000   99.260   1.2482  ?   ?       ?      ? 
1 1 1   -8   38   10 o   46.184   2.4374  2794.95   82.110  2872.94   84.405  1419.53  354.472   54.395   0.7994   37.974   4.8088 16.42134 4.874745 
1 1 1   -8   38   11 o   90.081   1.1539  7882.68  201.779  7882.68  201.779   0.0000   0.0000   90.081   1.1539  ?   ?       ?      ? 
1 1 1   -8   38   12 o   67.247   0.9237  4391.75  120.575  4391.75  120.575   0.0000   0.0000   67.247   0.9237  ?   ?       ?      ? 
1 1 1   -8   38   13 o   44.900   0.6030  1941.42   51.668  1873.19   66.653  2044.14   81.786   43.921   0.7818   45.878   0.9184 -1.956524 1.206042 
1 1 1   -8   38   14 f   68.452   0.9718  4551.35  129.136  4551.35  129.136   0.0000   0.0000   68.452   0.9718  ?   ?       ?      ? 
1 1 1   -8   38   15 o   75.034   0.8507  5516.52  119.904  5656.51  152.561  5290.32  193.926   76.303   1.0300   73.766   1.3543 2.537674 1.701485 
1 1 1   -8   38   16 o   64.591   0.7697  4068.60   94.298  4124.83  121.542  3983.57  149.459   65.162   0.9609   64.020   1.2026 1.141518 1.539364 
1 1 1   -8   38   17 o   91.852   1.0096  8244.91  171.865  8335.35  214.003  8080.62  288.439   92.597   1.1906   91.107   1.6309 1.489662 2.019257 
1 1 1   -8   38   18 o   52.347   0.8179  2667.09   82.908  2612.15  120.800  2716.01  113.996   51.833   1.2006   52.860   1.1110 -1.026997 1.635736 
1 1 1   -8   38   19 o   35.152   0.8915  1205.87   59.861  1179.40   92.800  1224.73   78.339   34.813   1.3732   35.490   1.1371 -0.6774330 1.782905 
1 1 1   -8   38   20 o   38.397   0.8681  1429.02   64.198  1481.31   97.795  1389.43   85.102   39.006   1.2916   37.788   1.1602 1.217892 1.736115 
1 1 1   -8   38   21 o   50.511   0.8723  2474.42   85.109  2586.02  127.959  2385.88  113.977   51.522   1.2794   49.501   1.1862 2.020931 1.744673 
1 1 1   -8   38   22 o   59.316   0.9188  3439.41  105.488  3305.94  153.290  3559.49  145.389   58.208   1.3567   60.425   1.2395 -2.217258 1.837631 
1 1 1   -8   38   23 o   10.691   2.3815  115.541   53.426   97.992   95.561  123.521   64.437   10.450   3.7296   10.932   2.9626 -0.4822054 4.763079 
1 1 1   -8   38   24 o   13.013   2.1013  174.981   51.412  196.342   79.738  159.784   67.258   13.667   3.0794   12.359   2.8601 1.308058 4.202680 
1 1 1   -8   38   25 o   42.053   0.8535  1732.55   69.634  1782.66   97.966  1681.40   98.996   42.675   1.1826   41.430   1.2309 1.244370 1.706972 
1 1 1   -8   38   26 o   20.635   1.4138  417.120   55.895  471.199   88.058  380.628   72.336   21.710   2.0895   19.560   1.9051 2.149462 2.827634 
1 1 1   -8   38   27 o   36.024   0.9556  1274.44   66.551  1329.09   99.486  1230.18   89.534   36.702   1.3964   35.346   1.3049 1.355450 1.911203 
1 1 1   -8   38   28 o   7.0599   2.2034  -8.6260   58.990  -8.2170   86.382  -8.9834   80.751   7.1800   3.1684   6.9398   3.0628 0.2402515 4.406750 
1 1 1   -8   38   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   39    1 o   60.346   0.8880  3544.37  103.767  3665.99  143.438  3410.84  150.299   61.436   1.2028   59.256   1.3066 2.180252 1.775933 
1 1 1   -8   39    2 o  141.321   1.1903 19517.26  294.091 19657.58  347.918 19166.08  550.407  142.259   1.2599  140.383   2.0198 1.875275 2.380510 
1 1 1   -8   39    3 o   75.978   0.8364  5589.55  103.549  5575.20  117.803  5638.33  217.166   75.778   0.8008   76.178   1.4686 -0.3994370 1.672750 
1 1 1   -8   39    4 o   26.049   1.0560  747.951   35.687  784.316   38.753  545.066   91.535   28.423   0.7024   23.674   1.9918 4.748938 2.111996 
1 1 1   -8   39    5 o   36.679   3.5330  1647.93   48.424  1655.60   48.740  1061.12  426.137   41.297   0.6080   32.061   7.0398 9.235584 7.066013 
1 1 1   -8   39    6 o   48.174   2.8901  2795.77   67.177  2816.54   67.863  1783.99  473.674   53.863   0.6490   42.485   5.7436 11.37826 5.780144 
1 1 1   -8   39    7 o   18.249   3.6503  305.884   36.847  306.541   37.030  239.871  371.283   17.766   1.0738   18.732   7.2212 -0.9666862 7.300608 
1 1 1   -8   39    8 o   29.283   3.7645  960.100   45.434  962.639   45.720  758.800  407.103   31.488   0.7480   27.078   7.4918 4.409191 7.529049 
1 1 1   -8   39    9 o   62.843   3.5942  5619.88  148.633  5789.15  152.435  2352.85  669.695   77.206   1.0171   48.481   7.1161 28.72492 7.188398 
1 1 1   -8   39   10 o   62.012   0.8744  3734.17  105.261  3734.17  105.261   0.0000   0.0000   62.012   0.8744  ?   ?       ?      ? 
1 1 1   -8   39   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   39   12 o   44.529   0.7975  1925.43   68.935  1925.43   68.935   0.0000   0.0000   44.529   0.7975  ?   ?       ?      ? 
1 1 1   -8   39   13 o   34.341   0.9707  1149.02   51.161  1141.96  115.982  1150.73   57.007   34.260   1.7440   34.423   0.8531 -0.1624527 1.941444 
1 1 1   -8   39   14 o   90.655   0.9947  8047.33  167.656  8192.82  209.966  7791.37  278.497   91.818   1.1780   89.492   1.6031 2.325760 1.989431 
1 1 1   -8   39   15 o   85.638   0.9483  7129.99  151.078  7130.04  188.451  7129.90  252.745   85.659   1.1333   85.617   1.5207 0.4135895E-01 1.896615 
1 1 1   -8   39   16 o   33.716   0.7198  1102.14   47.056  1038.68   64.877  1172.58   68.355   32.694   1.0222   34.738   1.0137 -2.043819 1.439628 
1 1 1   -8   39   17 o   33.022   0.7323  1059.70   46.937  1065.48   66.117  1053.83   66.644   33.113   1.0286   32.931   1.0425 0.1819344 1.464562 
1 1 1   -8   39   18 o   42.503   0.7938  1742.09   64.693  1843.65  100.802  1670.96   84.358   43.543   1.1926   41.463   1.0481 2.080635 1.587682 
1 1 1   -8   39   19 o   26.720   1.0101  705.012   51.445  634.168   78.193  759.083   68.312   25.510   1.5790   27.930   1.2600 -2.419956 2.020124 
1 1 1   -8   39   20 o   16.128   1.6333  254.326   49.993  259.865   79.920  250.765   64.077   16.254   2.5330   16.003   2.0628 0.2513390 3.266640 
1 1 1   -8   39   21 o   32.084   0.9734  1001.55   60.029  1020.88   91.915  987.170   79.269   32.343   1.4640   31.825   1.2831 0.5183659 1.946708 
1 1 1   -8   39   22 o   25.370   1.1742  630.135   56.032  630.128   91.261  630.138   70.988   25.343   1.8551   25.397   1.4399 -0.5443192E-01 2.348343 
1 1 1   -8   39   23 o   11.328   2.3897  135.128   56.335  103.893   94.675  152.250   70.095   10.575   3.7188   12.080   3.0023 -1.505038 4.779471 
1 1 1   -8   39   24 f   20.645   1.3411  415.072   53.048  461.019   83.431  383.890   68.731   21.569   1.9926   19.721   1.7954 1.848711 2.682166 
1 1 1   -8   39   25 o   23.118   1.2602  529.024   55.840  528.874   85.994  529.133   73.427   23.080   1.9194   23.157   1.6335 -0.7744980E-01 2.520410 
1 1 1   -8   39   26 o   9.4014   2.3666   74.878   54.390  125.972   87.590   42.812   69.389   10.933   3.5798   7.8696   3.0965 3.063544 4.733163 
1 1 1   -8   39   27 o   19.120   1.6097  370.272   59.622  404.376   86.899  339.939   81.954   19.962   2.2426   18.278   2.3098 1.683645 3.219322 
1 1 1   -8   39   28 o   15.141   2.2423  274.117   65.042  144.956  100.261  367.974   85.467   11.367   3.8331   18.915   2.3277 -7.547461 4.484535 
1 1 1   -8   40    1 o   27.428   1.1111  716.734   48.833  705.909   55.016  756.936  106.021   26.960   1.0512   27.897   1.9578 -0.9363937 2.222197 
1 1 1   -8   40    2 o   93.865   0.9520  8605.47  149.338  8649.76  172.173  8470.96  300.074   94.380   0.9398   93.351   1.6559 1.028557 1.904025 
1 1 1   -8   40    3 o   70.470   0.7990  4736.73   90.600  4670.34  102.262  4979.04  195.365   69.356   0.7596   71.583   1.4059 -2.227127 1.598002 
1 1 1   -8   40    4 o   68.314   0.8158  4528.44   87.634  4525.17   98.384  4540.96  192.798   68.270   0.7424   68.358   1.4529 -0.8795929E-01 1.631618 
1 1 1   -8   40    5 o   37.266   3.1360  1298.00   60.775  1295.56   61.317  1434.40  458.294   36.527   0.8648   38.006   6.2120 -1.478611 6.271912 
1 1 1   -8   40    6 o   81.481   2.1517  6794.69  135.628  6824.56  138.701  6142.73  647.895   83.835   0.8523   79.127   4.2181 4.707344 4.303302 
1 1 1   -8   40    7 o   87.452   2.2269  8247.18  203.450  8410.05  213.142  6577.48  682.441   93.046   1.1801   81.859   4.2947 11.18646 4.453870 
1 1 1   -8   40    8 o   17.167   3.7234  157.432   35.788  154.589   35.963  448.170  363.684   12.612   1.4690   21.722   7.3005 -9.109817 7.446864 
1 1 1   -8   40    9 o   58.337   0.8472  3304.71   95.938  3304.71   95.938   0.0000   0.0000   58.337   0.8472  ?   ?       ?      ? 
1 1 1   -8   40   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   40   11 o   77.038   1.0219  5764.66  152.816  5764.66  152.816   0.0000   0.0000   77.038   1.0219  ?   ?       ?      ? 
1 1 1   -8   40   12 o   91.222   1.1754  8085.43  208.130  8085.43  208.130   0.0000   0.0000   91.222   1.1754  ?   ?       ?      ? 
1 1 1   -8   40   13 o   58.589   0.7024  3342.12   77.945  3369.36  100.052  3300.07  124.320   58.899   0.8751   58.279   1.0989 0.6202126 1.404776 
1 1 1   -8   40   14 o  128.890   1.3808 16278.58  328.720 16505.64  408.087 15859.01  554.728  130.250   1.6140  127.531   2.2408 2.718788 2.761557 
1 1 1   -8   40   15 o  109.820   1.1895 11805.27  242.113 11962.20  301.697 11521.39  405.787  110.901   1.4014  108.739   1.9224 2.162323 2.379016 
1 1 1   -8   40   16 o   65.489   0.7795  4183.48   96.225  4233.41  122.653  4103.56  155.181   66.009   0.9572   64.968   1.2305 1.041817 1.558958 
1 1 1   -8   40   17 o   22.236   0.9421  481.516   40.160  477.403   61.717  484.536   52.888   22.150   1.4354   22.323   1.2205 -0.1727371 1.884155 
1 1 1   -8   40   18 o   8.4160   2.0467   61.569   43.526   3.4757   72.329   94.549   54.497   7.1353   3.0212   9.6967   2.7619 -2.561442 4.093368 
1 1 1   -8   40   19 o   41.689   0.8186  1686.05   65.772  1732.94   99.710  1649.93   87.511   42.195   1.2174   41.183   1.0947 1.011864 1.637140 
1 1 1   -8   40   20 o   12.744   2.0791  155.618   49.585  225.043   82.304  116.062   62.126   14.828   2.9631   10.661   2.9173 4.167009 4.158198 
1 1 1   -8   40   21 o   12.935   2.0367  196.335   53.182   57.383   88.287  275.470   66.626   9.1233   3.5201   16.746   2.0496 -7.622498 4.073350 
1 1 1   -8   40   22 o   15.719   1.7900  236.120   53.056  283.200   88.688  209.880   66.210   16.870   2.7082   14.568   2.3413 2.301658 3.579976 
1 1 1   -8   40   23 o   19.988   1.4605  382.313   55.711  488.581   88.312  312.069   71.800   22.222   2.0473   17.754   2.0834 4.468073 2.920937 
1 1 1   -8   40   24 o   42.555   0.8692  1773.01   71.768  1786.31  103.318  1760.61   99.765   42.704   1.2464   42.406   1.2119 0.2976494 1.738459 
1 1 1   -8   40   25 o   15.425   2.0047  274.264   55.301  147.024   85.942  364.175   72.244   11.717   3.5058   19.133   1.9452 -7.415926 4.009302 
1 1 1   -8   40   26 o   23.264   1.3446  542.417   59.963  530.667   91.723  551.186   79.241   22.987   2.0556   23.541   1.7340 -0.5544548 2.689296 
1 1 1   -8   40   27 o   17.434   1.8044  315.022   60.734  290.464   87.910  337.447   84.004   16.715   2.7094   18.153   2.3839 -1.437838 3.608868 
1 1 1   -8   40   28 o   7.1235   2.2523 -14.5443   63.407 -28.8745   97.883  -4.1833   83.230   7.1773   3.2536   7.0697   3.1154 0.1075482 4.504566 
1 1 1   -8   41    1 o   57.039   0.7964  3112.27   79.891  3049.27   94.253  3273.05  150.570   56.038   0.8665   58.039   1.3364 -2.001621 1.592741 
1 1 1   -8   41    2 o   14.549   1.9111  204.640   36.710  202.459   39.460  218.674  100.087   14.434   1.4083   14.664   3.5534 -0.2295914 3.822295 
1 1 1   -8   41    3 o   60.288   0.7981  3627.10   75.530  3697.98   85.193  3366.76  163.272   61.716   0.7111   58.860   1.4290 2.856220 1.596149 
1 1 1   -8   41    4 o   79.195   0.8512  6089.47  110.701  6086.59  126.429  6098.96  229.180   79.173   0.8226   79.216   1.4904 -0.4306030E-01 1.702331 
1 1 1   -8   41    5 o  142.817   2.0944 21512.34  366.507 22026.82  391.599 17879.37  1040.61  150.563   1.3399  135.071   3.9688 15.49222 4.188900 
1 1 1   -8   41    6 o   20.291   3.7041  546.926   36.351  550.925   36.464 -96.4529  462.497   23.820   0.7886   16.761   7.3662 7.059238 7.408251 
1 1 1   -8   41    7 o   35.684   4.2020  1571.87   59.777  1579.53   60.183  1010.07  515.705   40.333   0.7687   31.036   8.3688 9.297632 8.404023 
1 1 1   -8   41    8 o   31.677   0.7741  974.280   47.600  974.280   47.600   0.0000   0.0000   31.677   0.7741  ?   ?       ?      ? 
1 1 1   -8   41    9 o   70.942   0.9494  4887.88  130.741  4887.88  130.741   0.0000   0.0000   70.942   0.9494  ?   ?       ?      ? 
1 1 1   -8   41   10 o  114.763   1.4260 12802.34  317.680 12802.34  317.680   0.0000   0.0000  114.763   1.4260  ?   ?       ?      ? 
1 1 1   -8   41   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   41   12 o   46.265   0.8007  2078.62   71.908  2078.62   71.908   0.0000   0.0000   46.265   0.8007  ?   ?       ?      ? 
1 1 1   -8   41   13 o   40.517   0.8457  1594.39   66.511  1594.39   66.511   0.0000   0.0000   40.517   0.8457  ?   ?       ?      ? 
1 1 1   -8   41   14 o   62.840   0.8466  3839.50  103.229  3747.47  146.598  3930.03  145.387   62.091   1.2163   63.588   1.1778 -1.497353 1.693113 
1 1 1   -8   41   15 o   20.577   0.9188  411.465   36.664  437.184   52.521  387.018   51.205   21.204   1.2760   19.949   1.3223 1.254948 1.837557 
1 1 1   -8   41   16 o   5.4845   1.7246 -25.1764   36.826  -0.6400   56.705 -43.0731   48.428   6.2405   2.6598   4.7285   2.1960 1.511974 3.449202 
1 1 1   -8   41   17 o   20.990   0.9908  426.765   40.274  467.210   59.201  391.921   54.950   21.911   1.3918   20.068   1.4106 1.843676 1.981670 
1 1 1   -8   41   18 o   46.731   0.6966  2140.37   62.244  2235.58   82.345  2013.45   95.073   47.961   0.8845   45.501   1.0764 2.459736 1.393177 
1 1 1   -8   41   19 o   10.225   2.2094  106.368   48.312   73.541   79.989  125.221   60.618   9.3944   3.4048   11.055   2.8167 -1.661032 4.418883 
1 1 1   -8   41   20 o   23.431   1.2800  560.174   54.360  467.783   90.932  611.554   67.811   21.823   2.1465   25.038   1.3952 -3.214872 2.560069 
1 1 1   -8   41   21 o   17.129   1.7772  313.655   52.148  243.212   88.903  350.606   64.389   15.344   3.0917   18.914   1.7537 -3.570531 3.554435 
1 1 1   -8   41   22 o   41.307   0.9028  1678.72   70.844  1605.15  110.985  1729.31   92.033   40.509   1.4114   42.106   1.1260 -1.596970 1.805524 
1 1 1   -8   41   23 o   21.695   1.4584  439.366   59.156  574.794  101.879  370.482   72.659   24.040   2.1832   19.350   1.9344 4.689465 2.916845 
1 1 1   -8   41   24 o   39.592   1.0118  1542.03   73.668  1537.05  126.089  1544.62   90.771   39.463   1.6460   39.721   1.1772 -0.2585030 2.023633 
1 1 1   -8   41   25 o   12.981   2.2160  188.723   55.796  135.245   86.856  226.298   72.805   11.260   3.5539   14.703   2.6482 -3.443749 4.432038 
1 1 1   -8   41   26 o   16.354   2.0287  300.193   59.693  193.807   90.036  383.632   79.737   13.205   3.4679   19.503   2.1061 -6.298178 4.057372 
1 1 1   -8   41   27 o   17.688   2.0996  348.782   65.761  289.777  108.242  383.302   82.792   15.991   3.5766   19.386   2.2001 -3.394829 4.199130 
1 1 1   -8   42    1 o   77.502   0.8640  5867.94  110.222  5897.19  126.181  5773.75  226.431   77.931   0.8341   77.073   1.5135 0.8583832 1.728085 
1 1 1   -8   42    2 o  129.195   1.1675 16192.31  258.850 16151.69  302.047 16304.63  502.291  128.942   1.2067  129.448   1.9989 -0.5063019 2.334931 
1 1 1   -8   42    3 o   58.469   0.7739  3333.90   71.749  3343.75   80.866  3297.44  155.542   58.685   0.7099   58.252   1.3755 0.4332428 1.547893 
1 1 1   -8   42    4 o   33.205   4.0722  1216.12   46.296  1217.98   46.501  1006.30  494.060   35.419   0.6763   30.991   8.1163 4.428009 8.144402 
1 1 1   -8   42    5 o   28.087   4.4504  806.304   41.646  806.651   41.771  748.642  538.200   28.824   0.7466   27.350   8.8695 1.473991 8.900820 
1 1 1   -8   42    6 o   65.321   3.0540  4601.70  101.824  4618.17  102.842  3781.99  725.494   68.966   0.7682   61.677   6.0596 7.288177 6.108082 
1 1 1   -8   42    7 o   71.059   0.9594  4903.90  132.340  4903.90  132.340   0.0000   0.0000   71.059   0.9594  ?   ?       ?      ? 
1 1 1   -8   42    8 o   11.717   1.6999  133.513   38.663  133.513   38.663   0.0000   0.0000   11.717   1.6999  ?   ?       ?      ? 
1 1 1   -8   42    9 o   27.179   0.8661  717.391   45.696  717.391   45.696   0.0000   0.0000   27.179   0.8661  ?   ?       ?      ? 
1 1 1   -8   42   10 o   30.986   0.8073  932.363   48.556  932.363   48.556   0.0000   0.0000   30.986   0.8073  ?   ?       ?      ? 
1 1 1   -8   42   11 o   41.811   0.7914  1697.72   64.232  1697.72   64.232   0.0000   0.0000   41.811   0.7914  ?   ?       ?      ? 
1 1 1   -8   42   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   42   13 o   10.179   2.5081  105.199   49.238  105.199   49.238   0.0000   0.0000   10.179   2.5081  ?   ?       ?      ? 
1 1 1   -8   42   14 o   76.138   0.8609  5682.25  122.971  5823.98  156.170  5450.99  199.491   77.415   1.0392   74.861   1.3728 2.554062 1.721774 
1 1 1   -8   42   15 o   34.221   0.7634  1147.33   50.004  1077.43   76.047  1200.58   66.371   33.291   1.1768   35.151   0.9727 -1.860142 1.526713 
1 1 1   -8   42   16 o   40.487   0.6760  1594.51   52.996  1617.98   72.745  1567.97   77.362   40.807   0.9183   40.167   0.9922 0.6392288 1.351951 
1 1 1   -8   42   17 o   57.813   0.7466  3258.68   82.162  3296.39  106.575  3203.44  128.999   58.237   0.9427   57.390   1.1579 0.8472481 1.493177 
1 1 1   -8   42   18 o   19.720   1.1762  385.683   44.292  326.131   65.124  436.941   60.419   18.269   1.8364   21.171   1.4701 -2.902767 2.352386 
1 1 1   -8   42   19 o   20.125   1.2971  393.950   48.644  404.395   81.541  388.180   60.610   20.309   2.0683   19.941   1.5658 0.3684750 2.594178 
1 1 1   -8   42   20 o   33.754   0.9398  1121.70   59.224  1073.68   97.114  1150.14   74.728   33.149   1.5092   34.360   1.1204 -1.211445 1.879622 
1 1 1   -8   42   21 o   45.410   0.8720  2020.30   75.158  1971.18  118.725  2053.15   97.088   44.921   1.3615   45.898   1.0897 -0.9774094 1.743904 
1 1 1   -8   42   22 o   8.6340   2.2502   62.171   50.988   10.012   88.760   87.861   62.291   7.8762   3.3415   9.3918   3.0145 -1.515563 4.500306 
1 1 1   -8   42   23 o   26.420   1.2191  661.197   59.640  782.997  104.237  601.917   72.720   28.103   1.9108   24.737   1.5144 3.366121 2.438128 
1 1 1   -8   42   24 o   6.7618   2.0865 -18.6448   54.562 -84.2828   84.669   27.970   71.353   5.9681   2.8136   7.5554   3.0817 -1.587346 4.172969 
1 1 1   -8   42   25 o   25.029   1.3093  597.256   60.714  717.645  106.183  538.778   74.004   26.746   2.0452   23.312   1.6354 3.434526 2.618636 
1 1 1   -8   42   26 o   9.9463   2.1122   90.663   58.649 -72.7434   93.606  196.269   75.251   6.4417   3.0119   13.451   2.9621 -7.009255 4.224444 
1 1 1   -8   42   27 o   33.182   1.2269  1123.62   75.668  1037.86  123.626  1174.99   95.685   31.976   1.9917   34.388   1.4334 -2.412004 2.453864 
1 1 1   -8   43    1 o   44.048   0.8726  1898.05   61.734  1908.31   69.966  1861.95  131.183   44.331   0.8130   43.765   1.5441 0.5668488 1.745113 
1 1 1   -8   43    2 o   99.598   0.9946  9708.24  167.060  9778.21  193.582  9504.09  330.674  100.339   0.9939   98.858   1.7232 1.481400 1.989231 
1 1 1   -8   43    3 o  110.408   1.0680 11961.25  202.236 12091.16  236.704 11610.06  389.184  111.569   1.0929  109.247   1.8352 2.321503 2.135982 
1 1 1   -8   43    4 o  114.375   1.1379 12827.51  224.352 12957.61  263.313 12482.86  428.571  115.489   1.1745  113.261   1.9493 2.228256 2.275800 
1 1 1   -8   43    5 o   21.607   4.0009  579.550   39.742  582.906   39.865   40.143  505.449   24.501   0.8382   18.713   7.9578 5.787056 8.001819 
1 1 1   -8   43    6 o   77.916   1.0367  5896.88  156.798  5896.88  156.798   0.0000   0.0000   77.916   1.0367  ?   ?       ?      ? 
1 1 1   -8   43    7 o   60.625   0.8681  3569.30  102.164  3569.30  102.164   0.0000   0.0000   60.625   0.8681  ?   ?       ?      ? 
1 1 1   -8   43    8 o   86.219   1.1096  7221.92  185.706  7221.92  185.706   0.0000   0.0000   86.219   1.1096  ?   ?       ?      ? 
1 1 1   -8   43    9 o   38.429   0.8041  1434.12   59.984  1434.12   59.984   0.0000   0.0000   38.429   0.8041  ?   ?       ?      ? 
1 1 1   -8   43   10 f   66.550   0.9270  4302.03  119.762  4302.03  119.762   0.0000   0.0000   66.550   0.9270  ?   ?       ?      ? 
1 1 1   -8   43   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   43   12 f   30.244   0.8633  888.429   50.683  888.429   50.683   0.0000   0.0000   30.244   0.8633  ?   ?       ?      ? 
1 1 1   -8   43   13 o   79.825   1.0720  6192.67  166.113  6192.67  166.113   0.0000   0.0000   79.825   1.0720  ?   ?       ?      ? 
1 1 1   -8   43   14 o   72.129   0.8301  5087.44  112.871  5187.80  144.196  4928.65  181.370   73.067   1.0166   71.191   1.3124 1.876144 1.660134 
1 1 1   -8   43   15 o   62.271   0.7523  3790.94   88.825  3875.66  114.684  3663.91  140.422   63.156   0.9355   61.386   1.1784 1.769512 1.504573 
1 1 1   -8   43   16 o   20.298   1.0166  399.079   39.950  438.695   58.848  365.217   54.407   21.228   1.4281   19.368   1.4471 1.859972 2.033118 
1 1 1   -8   43   17 f   54.239   0.7443  2869.60   77.256  2912.81  101.518  2810.14  119.085   54.735   0.9555   53.742   1.1415 0.9930458 1.488604 
1 1 1   -8   43   18 o   51.253   0.7302  2560.70   71.642  2586.77   94.084  2524.73  110.527   51.574   0.9398   50.931   1.1179 0.6429787 1.460448 
1 1 1   -8   43   19 o   22.734   0.9802  506.166   43.089  536.425   59.623  473.084   62.342   23.455   1.3095   22.014   1.4589 1.440542 1.960391 
1 1 1   -8   43   20 o   32.803   0.9548  1059.31   59.124  1011.19   94.252  1090.54   75.918   32.159   1.5098   33.446   1.1693 -1.286980 1.909667 
1 1 1   -8   43   21 o   23.578   1.3018  561.653   54.171  510.247   97.519  584.594   65.146   22.706   2.2125   24.450   1.3726 -1.743395 2.603682 
1 1 1   -8   43   22 o   15.243   1.9289  229.968   52.539  262.687   93.121  214.689   63.634   15.803   3.1461   14.683   2.2326 1.120568 3.857811 
1 1 1   -8   43   23 o   9.7501   2.3930   93.123   53.764   70.604   97.026  103.101   64.587   9.5323   3.6868   9.9679   3.0517 -0.4355736 4.785948 
1 1 1   -8   43   24 o   37.216   0.9047  1357.20   65.283  1435.33   94.935  1287.11   89.918   38.230   1.2793   36.202   1.2795 2.027813 1.809324 
1 1 1   -8   43   25 o   19.288   1.7131  379.806   63.186  377.260   97.771  381.632   82.800   19.149   2.6302   19.427   2.1956 -0.2780819 3.426214 
1 1 1   -8   43   26 o   12.014   2.5291  135.808   59.672  246.846  112.918   92.784   70.289   14.577   3.9098   9.4503   3.2093 5.126941 5.058295 
1 1 1   -8   43   27 o   12.448   2.2425  193.521   65.639   21.801  113.299  280.274   80.530   8.5341   3.6997   16.362   2.5354 -7.828320 4.485092 
1 1 1   -8   44    1 o  137.924   1.2420 18679.01  301.113 18922.85  358.061 18090.05  556.475  139.542   1.3219  136.307   2.1031 3.235184 2.484033 
1 1 1   -8   44    2 o   19.631   1.5642  377.046   40.074  377.646   42.985  373.065  110.781   19.716   1.1231   19.546   2.9197 0.1705608 3.128303 
1 1 1   -8   44    3 o   22.434   1.2632  473.957   38.242  468.032   41.132  511.733  103.860   21.952   0.9653   22.917   2.3347 -0.9647503 2.526372 
1 1 1   -8   44    4 o   55.997   0.7460  2975.25   67.320  2921.15   75.956  3173.42  145.365   54.850   0.7134   57.144   1.3105 -2.294189 1.492044 
1 1 1   -8   44    5 o   61.433   0.7284  3664.51   86.870  3664.51   86.870   0.0000   0.0000   61.433   0.7284  ?   ?       ?      ? 
1 1 1   -8   44    6 o   50.684   0.8377  2494.65   82.422  2494.65   82.422   0.0000   0.0000   50.684   0.8377  ?   ?       ?      ? 
1 1 1   -8   44    7 o   58.564   0.8810  3330.97  100.153  3330.97  100.153   0.0000   0.0000   58.564   0.8810  ?   ?       ?      ? 
1 1 1   -8   44    8 o   83.354   1.0911  6750.43  176.537  6750.43  176.537   0.0000   0.0000   83.354   1.0911  ?   ?       ?      ? 
1 1 1   -8   44    9 o   88.211   1.1370  7561.38  194.690  7561.38  194.690   0.0000   0.0000   88.211   1.1370  ?   ?       ?      ? 
1 1 1   -8   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   44   11 o   60.800   0.8907  3590.76  105.126  3590.76  105.126   0.0000   0.0000   60.800   0.8907  ?   ?       ?      ? 
1 1 1   -8   44   12 o   59.636   0.8970  3455.00  103.846  3455.00  103.846   0.0000   0.0000   59.636   0.8970  ?   ?       ?      ? 
1 1 1   -8   44   13 o   52.165   0.8881  2643.50   89.927  2643.50   89.927   0.0000   0.0000   52.165   0.8881  ?   ?       ?      ? 
1 1 1   -8   44   14 o   29.813   0.6893  863.190   39.858  911.278   57.057  817.355   55.704   30.624   0.9598   29.002   0.9895 1.622097 1.378505 
1 1 1   -8   44   15 o   20.148   1.0177  391.789   39.573  425.908   60.044  365.587   52.617   20.916   1.4789   19.381   1.3986 1.534481 2.035465 
1 1 1   -8   44   16 o   61.804   0.7633  3734.54   89.150  3803.52  114.320  3627.49  142.415   62.551   0.9415   61.056   1.2016 1.494671 1.526521 
1 1 1   -8   44   17 o   61.109   0.9726  3631.83  115.375  3631.83  115.375   0.0000   0.0000   61.109   0.9726  ?   ?       ?      ? 
1 1 1   -8   44   18 o   37.236   0.7552  1348.73   54.516  1447.43   78.146  1255.17   76.089   38.564   1.0439   35.907   1.0916 2.656971 1.510421 
1 1 1   -8   44   19 o   27.641   0.8655  744.853   46.381  746.875   67.300  743.023   64.009   27.674   1.2528   27.608   1.1944 0.6544685E-01 1.730904 
1 1 1   -8   44   20 o   9.5931   2.2234   84.546   46.489  113.199   77.370   68.356   58.159   10.622   3.3544   8.5644   2.9192 2.057370 4.446779 
1 1 1   -8   44   21 o   18.276   1.7658  357.423   53.900  291.835   97.077  386.654   64.808   16.725   3.1043   19.826   1.6840 -3.100389 3.531636 
1 1 1   -8   44   22 o   19.519   1.5251  365.978   55.236  427.977   95.868  335.168   67.581   20.650   2.3916   18.388   1.8933 2.262440 3.050291 
1 1 1   -8   44   23 o   25.674   1.2615  646.128   58.850  672.592  104.162  633.720   71.324   25.967   2.0664   25.380   1.4477 0.5868301 2.523056 
1 1 1   -8   44   24 o   9.2130   2.4140   73.270   62.249 -32.1730  113.356  118.795   74.484   7.8635   3.5386   10.563   3.2845 -2.699056 4.827993 
1 1 1   -8   44   25 o   27.027   1.4336  740.784   69.643  722.572  123.399  749.297   84.362   26.587   2.3910   27.467   1.5823 -0.8800392 2.867137 
1 1 1   -8   44   26 o   26.059   1.3527  676.870   66.061  722.512  110.020  651.137   82.610   26.614   2.1296   25.505   1.6686 1.108721 2.705425 
1 1 1   -8   45    1 o   22.252   1.4812  529.307   43.429  548.708   47.121  419.828  111.934   23.767   1.0213   20.736   2.7808 3.031162 2.962441 
1 1 1   -8   45    2 o   7.1761   2.1291   14.348   39.375   15.039   43.177   10.932   95.967   5.9804   2.4125   8.3718   3.5088 -2.391364 4.258131 
1 1 1   -8   45    3 o   20.661   1.4079  382.529   38.902  370.961   41.609  462.848  109.644   19.541   1.0969   21.780   2.5933 -2.239624 2.815749 
1 1 1   -8   45    4 o   68.978   0.7931  4620.27  106.197  4620.27  106.197   0.0000   0.0000   68.978   0.7931  ?   ?       ?      ? 
1 1 1   -8   45    5 o   46.009   0.6920  2055.40   61.808  2055.40   61.808   0.0000   0.0000   46.009   0.6920  ?   ?       ?      ? 
1 1 1   -8   45    6 o   66.187   0.9257  4255.04  118.937  4255.04  118.937   0.0000   0.0000   66.187   0.9257  ?   ?       ?      ? 
1 1 1   -8   45    7 o   22.086   1.1094  473.968   47.562  473.968   47.562   0.0000   0.0000   22.086   1.1094  ?   ?       ?      ? 
1 1 1   -8   45    8 o   35.823   0.8475  1246.35   58.936  1246.35   58.936   0.0000   0.0000   35.823   0.8475  ?   ?       ?      ? 
1 1 1   -8   45    9 o   49.733   0.8500  2402.28   82.064  2402.28   82.064   0.0000   0.0000   49.733   0.8500  ?   ?       ?      ? 
1 1 1   -8   45   10 o   21.488   1.1873  448.837   49.528  448.837   49.528   0.0000   0.0000   21.488   1.1873  ?   ?       ?      ? 
1 1 1   -8   45   11 o   72.335   1.0010  5084.16  140.561  5084.16  140.561   0.0000   0.0000   72.335   1.0010  ?   ?       ?      ? 
1 1 1   -8   45   12 o   54.050   0.8699  2837.86   91.270  2837.86   91.270   0.0000   0.0000   54.050   0.8699  ?   ?       ?      ? 
1 1 1   -8   45   13 o   38.073   0.8560  1408.19   63.261  1408.19   63.261   0.0000   0.0000   38.073   0.8560  ?   ?       ?      ? 
1 1 1   -8   45   14 o   30.881   1.0243  926.914   61.403  926.914   61.403   0.0000   0.0000   30.881   1.0243  ?   ?       ?      ? 
1 1 1   -8   45   15 o   27.729   0.7984  747.964   42.969  740.011   61.032  755.780   60.507   27.582   1.1399   27.875   1.1182 -0.2934685 1.596789 
1 1 1   -8   45   16 o   21.798   1.0279  463.448   43.165  461.051   65.068  465.332   57.685   21.742   1.5417   21.854   1.3598 -0.1125736 2.055704 
1 1 1   -8   45   17 o   29.387   0.8204  840.492   46.782  855.252   67.287  826.681   65.088   29.636   1.1696   29.138   1.1507 0.4976997 1.640780 
1 1 1   -8   45   18 o   20.322   1.0835  404.311   42.518  395.943   63.104  411.270   57.540   20.122   1.6156   20.523   1.4443 -0.4012280 2.167067 
1 1 1   -8   45   19 o   14.568   1.5388  208.283   43.335  219.591   64.902  199.187   58.212   14.916   2.2415   14.220   2.1089 0.6963358 3.077605 
1 1 1   -8   45   20 o   27.140   1.0421  748.971   52.125  621.041   83.989  829.115   66.477   25.137   1.7212   29.142   1.1751 -4.004396 2.084124 
1 1 1   -8   45   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   45   22 o   17.027   1.8219  258.389   55.044  422.263  102.959  192.804   65.134   20.434   2.5957   13.621   2.5573 6.812478 3.643829 
1 1 1   -8   45   23 o   20.163   1.5780  406.115   57.584  416.530  102.123  401.259   69.725   20.224   2.6013   20.101   1.7870 0.1237297 3.155906 
1 1 1   -8   45   24 o   25.643   1.4302  648.305   65.021  692.172  120.791  630.409   77.152   26.070   2.3868   25.216   1.5762 0.8541546 2.860311 
1 1 1   -8   45   25 o   19.788   1.5342  408.133   57.236  333.547   86.039  467.340   76.658   17.995   2.4631   21.581   1.8299 -3.586538 3.068460 
1 1 1   -8   45   26 o   11.814   2.4709  170.101   67.663   56.699  114.886  230.328   83.725   9.2513   3.8551   14.377   3.0919 -5.125331 4.941805 
1 1 1   -8   46    1 o   51.532   0.7674  2546.68   64.281  2519.52   72.913  2641.47  136.199   50.937   0.7374   52.127   1.3460 -1.189198 1.534759 
1 1 1   -8   46    2 o   17.772   1.8070  306.783   41.996  304.238   45.279  322.443  112.336   17.691   1.3185   17.853   3.3649 -0.1618710 3.613961 
1 1 1   -8   46    3 o   52.076   0.8343  2714.82   66.720  2767.80   74.710  2506.13  148.278   53.389   0.7209   50.763   1.5048 2.625874 1.668520 
1 1 1   -8   46    4 o   46.668   0.6935  2114.79   62.823  2114.79   62.823   0.0000   0.0000   46.668   0.6935  ?   ?       ?      ? 
1 1 1   -8   46    5 o   26.960   0.8498  705.926   44.475  705.926   44.475   0.0000   0.0000   26.960   0.8498  ?   ?       ?      ? 
1 1 1   -8   46    6 o   22.841   1.1312  506.986   50.156  506.986   50.156   0.0000   0.0000   22.841   1.1312  ?   ?       ?      ? 
1 1 1   -8   46    7 o   34.876   0.8699  1181.36   58.889  1181.36   58.889   0.0000   0.0000   34.876   0.8699  ?   ?       ?      ? 
1 1 1   -8   46    8 o   63.221   0.9113  3882.47  111.842  3882.47  111.842   0.0000   0.0000   63.221   0.9113  ?   ?       ?      ? 
1 1 1   -8   46    9 o   95.840   1.2264  8930.10  228.171  8930.10  228.171   0.0000   0.0000   95.840   1.2264  ?   ?       ?      ? 
1 1 1   -8   46   10 o   45.079   0.8281  1973.83   72.461  1973.83   72.461   0.0000   0.0000   45.079   0.8281  ?   ?       ?      ? 
1 1 1   -8   46   11 o   54.338   0.8552  2868.22   90.211  2868.22   90.211   0.0000   0.0000   54.338   0.8552  ?   ?       ?      ? 
1 1 1   -8   46   12 o   16.833   1.4699  275.758   48.029  275.758   48.029   0.0000   0.0000   16.833   1.4699  ?   ?       ?      ? 
1 1 1   -8   46   13 o   13.534   1.8866  178.654   49.564  178.654   49.564   0.0000   0.0000   13.534   1.8866  ?   ?       ?      ? 
1 1 1   -8   46   14 o   11.417   2.4901  132.694   53.632  132.694   53.632   0.0000   0.0000   11.417   2.4901  ?   ?       ?      ? 
1 1 1   -8   46   15 o   17.943   1.1386  317.537   39.202  282.938   57.872  346.876   53.292   17.021   1.7515   18.864   1.4553 -1.843353 2.277237 
1 1 1   -8   46   16 o   12.367   1.5878  154.270   36.965  130.571   53.047  176.639   51.539   11.304   2.4853   13.430   1.9769 -2.126520 3.175677 
1 1 1   -8   46   17 f   23.200   0.9696  531.519   43.049  477.608   64.486  574.862   57.820   22.114   1.5022   24.287   1.2264 -2.172319 1.939272 
1 1 1   -8   46   18 o   51.274   0.7323  2563.71   72.287  2586.08   96.478  2535.07  109.151   51.541   0.9643   51.007   1.1024 0.5340843 1.464607 
1 1 1   -8   46   19 o   20.394   1.0809  403.723   42.591  460.051   63.542  357.772   57.391   21.676   1.5101   19.111   1.5470 2.564922 2.161859 
1 1 1   -8   46   20 o   12.966   1.7683  178.253   43.058   96.293   60.878  260.298   60.909   9.7056   2.9612   16.226   1.9338 -6.520381 3.536688 
1 1 1   -8   46   21 o   21.117   1.3893  441.901   54.103  446.608   92.290  439.437   66.782   21.126   2.2504   21.107   1.6299 0.1909256E-01 2.778669 
1 1 1   -8   46   22 o   16.581   1.9695  291.452   55.113  268.525  101.938  300.922   65.513   15.770   3.4278   17.392   1.9405 -1.622837 3.938969 
1 1 1   -8   46   23 o   41.784   0.9662  1732.96   76.075  1663.52  121.938  1777.21   97.343   41.014   1.5316   42.554   1.1784 -1.539448 1.932460 
1 1 1   -8   46   24 o   10.002   2.5490   86.500   58.484  144.676  109.977   63.562   69.058   11.557   4.0112   8.4480   3.1462 3.108545 5.097902 
1 1 1   -8   46   25 o   10.815   2.5959  130.224   64.750  103.561  109.753  144.458   80.192   10.292   3.9365   11.337   3.3852 -1.044492 5.191881 
1 1 1   -8   47    1 o   51.973   0.8653  2541.99   67.386  2496.12   74.197  2757.97  161.005   50.699   0.7539   53.246   1.5577 -2.547070 1.730560 
1 1 1   -8   47    2 o   40.793   0.8403  1587.05   52.387  1568.74   58.111  1666.48  121.049   40.193   0.7448   41.393   1.5065 -1.200264 1.680560 
1 1 1   -8   47    3 o   44.165   0.9188  1927.38   67.434  1957.61   77.755  1835.64  135.447   44.894   0.8922   43.437   1.6064 1.456734 1.837519 
1 1 1   -8   47    4 o   45.494   0.7041  2009.74   62.182  2009.74   62.182   0.0000   0.0000   45.494   0.7041  ?   ?       ?      ? 
1 1 1   -8   47    5 o   83.387   0.9024  6754.00  146.073  6754.00  146.073   0.0000   0.0000   83.387   0.9024  ?   ?       ?      ? 
1 1 1   -8   47    6 o   41.774   0.8747  1695.00   70.932  1695.00   70.932   0.0000   0.0000   41.774   0.8747  ?   ?       ?      ? 
1 1 1   -8   47    7 o   20.372   1.3213  403.570   52.252  403.570   52.252   0.0000   0.0000   20.372   1.3213  ?   ?       ?      ? 
1 1 1   -8   47    8 o   7.3689   2.6093   46.031   46.687   46.031   46.687   0.0000   0.0000   7.3689   2.6093  ?   ?       ?      ? 
1 1 1   -8   47    9 o   22.933   1.1570  511.210   51.505  511.210   51.505   0.0000   0.0000   22.933   1.1570  ?   ?       ?      ? 
1 1 1   -8   47   10 o   59.787   0.8991  3472.65  104.352  3472.65  104.352   0.0000   0.0000   59.787   0.8991  ?   ?       ?      ? 
1 1 1   -8   47   11 o   74.928   1.0332  5456.41  150.278  5456.41  150.278   0.0000   0.0000   74.928   1.0332  ?   ?       ?      ? 
1 1 1   -8   47   12 o   17.798   1.3996  308.286   48.355  308.286   48.355   0.0000   0.0000   17.798   1.3996  ?   ?       ?      ? 
1 1 1   -8   47   13 o   25.778   1.0744  646.213   53.762  646.213   53.762   0.0000   0.0000   25.778   1.0744  ?   ?       ?      ? 
1 1 1   -8   47   14 o   16.409   1.8361  263.089   58.484  263.089   58.484   0.0000   0.0000   16.409   1.8361  ?   ?       ?      ? 
1 1 1   -8   47   15 o   21.248   0.9398  436.550   38.606  491.845   57.420  390.932   52.154   22.467   1.3166   20.029   1.3414 2.438478 1.879582 
1 1 1   -8   47   16 o   10.574   1.8870  112.935   38.235  126.449   60.078  103.734   49.571   11.087   2.7928   10.060   2.5385 1.027711 3.774076 
1 1 1   -8   47   17 o   9.3413   2.0231   83.974   40.516  112.866   61.278   61.534   54.004   10.486   2.9085   8.1961   2.8128 2.290414 4.046151 
1 1 1   -8   47   18 o   18.952   1.1808  356.381   42.903  308.459   62.707  398.556   58.826   17.721   1.8228   20.182   1.5015 -2.460896 2.361630 
1 1 1   -8   47   19 o   16.949   1.2995  282.894   42.695  288.485   62.274  277.935   58.647   17.101   1.8759   16.797   1.7987 0.3047256 2.598927 
1 1 1   -8   47   20 o   13.171   1.7791  176.533   44.286  224.314   65.129  135.440   60.399   14.991   2.2381   11.352   2.7662 3.638633 3.558267 
1 1 1   -8   47   21 o   15.525   1.9996  287.062   53.315  152.812   89.402  361.156   66.418   11.952   3.5756   19.099   1.7915 -7.146952 3.999288 
1 1 1   -8   47   22 o   30.874   1.1134  929.755   62.783  979.507  110.355  905.946   76.341   31.386   1.8113   30.362   1.2953 1.023956 2.226764 
1 1 1   -8   47   23 o   8.1714   2.4202   26.545   59.785   46.358  109.303   18.087   71.414   9.1253   3.7778   7.2175   3.0260 1.907855 4.840305 
1 1 1   -8   47   24 o   16.110   2.1117  241.191   62.002  463.814  109.622  136.473   75.184   21.107   2.6755   11.113   3.2677 9.993371 4.223356 
1 1 1   -8   47   25 o   10.349   2.5262  119.281   63.730   64.557  108.071  148.458   78.912   9.2661   3.7876   11.432   3.3439 -2.166280 5.052451 
1 1 1   -8   48    1 o   12.723   2.0518  196.002   44.306  225.847   49.807   82.843   96.984   15.232   1.6845   10.213   3.7419 5.018553 4.103539 
1 1 1   -8   48    2 f   14.549   2.1406  169.020   42.601  153.372   45.492  280.551  121.452   12.548   1.8676   16.551   3.8524 -4.002944 4.281250 
1 1 1   -8   48    3 o   77.015   0.9226  5860.09  115.566  5939.86  131.927  5597.00  239.596   78.198   0.8691   75.832   1.6276 2.366035 1.845148 
1 1 1   -8   48    4 o   59.729   0.7665  3464.85   88.876  3464.85   88.876   0.0000   0.0000   59.729   0.7665  ?   ?       ?      ? 
1 1 1   -8   48    5 o   65.704   0.7681  4192.88   97.970  4192.88   97.970   0.0000   0.0000   65.704   0.7681  ?   ?       ?      ? 
1 1 1   -8   48    6 f   80.604   1.0824  6314.25  169.352  6314.25  169.352   0.0000   0.0000   80.604   1.0824  ?   ?       ?      ? 
1 1 1   -8   48    7 o   45.342   0.8635  1997.13   76.003  1997.13   76.003   0.0000   0.0000   45.342   0.8635  ?   ?       ?      ? 
1 1 1   -8   48    8 o   81.693   1.0912  6486.25  173.050  6486.25  173.050   0.0000   0.0000   81.693   1.0912  ?   ?       ?      ? 
1 1 1   -8   48    9 o   98.487   1.2692  9432.89  242.645  9432.89  242.645   0.0000   0.0000   98.487   1.2692  ?   ?       ?      ? 
1 1 1   -8   48   10 o   59.522   0.9201  3442.42  106.307  3442.42  106.307   0.0000   0.0000   59.522   0.9201  ?   ?       ?      ? 
1 1 1   -8   48   11 o   31.784   0.9450  981.746   58.302  981.746   58.302   0.0000   0.0000   31.784   0.9450  ?   ?       ?      ? 
1 1 1   -8   48   12 o   51.176   0.8530  2545.09   84.741  2545.09   84.741   0.0000   0.0000   51.176   0.8530  ?   ?       ?      ? 
1 1 1   -8   48   13 o   28.743   1.0534  803.616   58.774  803.616   58.774   0.0000   0.0000   28.743   1.0534  ?   ?       ?      ? 
1 1 1   -8   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   48   15 o   23.929   0.8969  559.347   41.090  550.186   63.304  566.016   54.015   23.751   1.3730   24.107   1.1542 -0.3564472 1.793752 
1 1 1   -8   48   16 o   54.514   0.9268  2891.93   98.070  2891.93   98.070   0.0000   0.0000   54.514   0.9268  ?   ?       ?      ? 
1 1 1   -8   48   17 o   40.046   0.7312  1563.22   56.770  1658.90   80.485  1468.48   80.085   41.270   1.0046   38.821   1.0627 2.448830 1.462421 
1 1 1   -8   48   18 o   5.7208   1.8065 -21.0480   40.740 -36.4498   63.291 -10.1516   53.235   5.7101   2.5992   5.7315   2.5095 -0.2138615E-01 3.612916 
1 1 1   -8   48   19 o   12.970   1.7435  173.015   42.656  155.572   62.885  187.881   58.054   12.198   2.7245   13.742   2.1764 -1.543171 3.487025 
1 1 1   -8   48   20 o   12.001   1.9009  151.548   43.172  157.093   59.983  145.590   62.184   12.254   2.6022   11.748   2.7716 0.5056458 3.801716 
1 1 1   -8   48   21 o   19.006   1.2405  357.250   45.640  321.823   63.071  396.192   66.127   18.008   1.8043   20.004   1.7029 -1.996698 2.480985 
1 1 1   -8   48   22 f   22.643   1.4224  494.718   58.391  569.681  105.988  462.050   69.967   23.714   2.3024   21.572   1.6709 2.142450 2.844810 
1 1 1   -8   48   23 o   24.877   1.3484  613.159   62.878  652.717  104.630  590.796   78.669   25.398   2.1222   24.356   1.6639 1.042690 2.696738 
1 1 1   -8   48   24 o   6.2456   2.0898 -79.8568   62.756 -65.7243  107.503 -87.1625   77.293   7.0179   3.2634   5.4734   2.6114 1.544511 4.179602 
1 1 1   -8   49    1 o   40.638   0.9633  1624.43   57.843  1634.50   63.820  1578.07  136.902   41.022   0.8014   40.253   1.7520 0.7690315 1.926641 
1 1 1   -8   49    2 o   22.057   1.4283  539.859   45.732  581.901   51.312  377.483  100.841   24.469   1.0803   19.644   2.6445 4.825050 2.856587 
1 1 1   -8   49    3 o   75.148   0.8697  5565.79  109.999  5644.12  127.567  5338.68  217.210   76.226   0.8621   74.071   1.5107 2.154724 1.739360 
1 1 1   -8   49    4 o   56.656   0.7610  3117.51   83.696  3117.51   83.696   0.0000   0.0000   56.656   0.7610  ?   ?       ?      ? 
1 1 1   -8   49    5 o   63.362   0.9404  3900.47  115.665  3900.47  115.665   0.0000   0.0000   63.362   0.9404  ?   ?       ?      ? 
1 1 1   -8   49    6 o   37.957   0.9370  1399.78   69.036  1399.78   69.036   0.0000   0.0000   37.957   0.9370  ?   ?       ?      ? 
1 1 1   -8   49    7 o   74.697   1.0260  5422.48  148.771  5422.48  148.771   0.0000   0.0000   74.697   1.0260  ?   ?       ?      ? 
1 1 1   -8   49    8 o   50.708   0.8814  2498.15   86.759  2498.15   86.759   0.0000   0.0000   50.708   0.8814  ?   ?       ?      ? 
1 1 1   -8   49    9 o   35.822   0.9145  1246.90   63.591  1246.90   63.591   0.0000   0.0000   35.822   0.9145  ?   ?       ?      ? 
1 1 1   -8   49   10 o   38.515   0.8625  1441.42   64.489  1441.42   64.489   0.0000   0.0000   38.515   0.8625  ?   ?       ?      ? 
1 1 1   -8   49   11 o   53.031   0.8703  2733.19   89.591  2733.19   89.591   0.0000   0.0000   53.031   0.8703  ?   ?       ?      ? 
1 1 1   -8   49   12 o   12.595   2.2781  160.257   53.648  160.257   53.648   0.0000   0.0000   12.595   2.2781  ?   ?       ?      ? 
1 1 1   -8   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   49   14 o   43.643   0.9068  1852.61   76.823  1852.61   76.823   0.0000   0.0000   43.643   0.9068  ?   ?       ?      ? 
1 1 1   -8   49   15 o   23.346   1.3846  532.043   62.750  532.043   62.750   0.0000   0.0000   23.346   1.3846  ?   ?       ?      ? 
1 1 1   -8   49   16 o   37.394   0.7293  1363.05   52.889  1426.93   74.641  1298.62   74.953   38.278   1.0045   36.510   1.0576 1.768196 1.458616 
1 1 1   -8   49   17 o   8.0991   1.9986   55.995   39.314   81.868   58.261   34.366   53.271   9.1023   2.9147   7.0959   2.7353 2.006399 3.997184 
1 1 1   -8   49   18 o   51.405   0.7295  2580.22   72.000  2590.10   95.172  2566.99  110.097   51.541   0.9512   51.269   1.1062 0.2715225 1.458993 
1 1 1   -8   49   19 o   34.735   0.8057  1180.86   54.299  1147.31   77.159  1213.78   76.428   34.241   1.1608   35.229   1.1176 -0.9884644 1.611383 
1 1 1   -8   49   20 o   21.188   1.1897  440.207   48.630  515.102   72.046  377.526   65.910   22.843   1.6248   19.532   1.7383 3.310709 2.379416 
1 1 1   -8   49   21 o   22.116   1.1733  483.209   50.160  502.568   74.992  467.536   67.476   22.499   1.7171   21.733   1.5994 0.7660999 2.346584 
1 1 1   -8   49   22 o   16.841   1.8780  305.283   55.284  268.967   94.524  324.164   68.157   15.711   3.2078   17.971   1.9537 -2.259826 3.755936 
1 1 1   -8   49   23 o   19.468   1.6660  384.897   60.878  405.399  100.600  373.051   76.469   19.745   2.6247   19.191   2.0527 0.5542774 3.332061 
1 1 1   -8   49   24 o   6.9342   2.1830 -27.3552   63.367 -127.5856  103.765   32.253   80.020   6.1122   2.9448   7.7562   3.2235 -1.644061 4.366059 
1 1 1   -8   50    1 o   15.664   1.8895  221.906   46.520  205.525   52.049  286.960  103.722   14.523   1.8463   16.805   3.2973 -2.282484 3.779069 
1 1 1   -8   50    2 o   72.862   0.9113  5213.69  107.869  5256.58  122.909  5069.90  225.046   73.560   0.8607   72.164   1.6065 1.396492 1.822574 
1 1 1   -8   50    3 o   57.289   0.7627  3187.71   84.818  3187.71   84.818   0.0000   0.0000   57.289   0.7627  ?   ?       ?      ? 
1 1 1   -8   50    4 o   36.678   0.8272  1306.83   58.895  1306.83   58.895   0.0000   0.0000   36.678   0.8272  ?   ?       ?      ? 
1 1 1   -8   50    5 o   6.0682   2.5895  -1.1132   53.862  -1.1132   53.862   0.0000   0.0000   6.0682   2.5895  ?   ?       ?      ? 
1 1 1   -8   50    6 o   70.535   1.0013  4835.14  137.096  4835.14  137.096   0.0000   0.0000   70.535   1.0013  ?   ?       ?      ? 
1 1 1   -8   50    7 o   53.144   0.8962  2744.14   92.457  2744.14   92.457   0.0000   0.0000   53.144   0.8962  ?   ?       ?      ? 
1 1 1   -8   50    8 f   36.950   0.8921  1326.66   63.984  1326.66   63.984   0.0000   0.0000   36.950   0.8921  ?   ?       ?      ? 
1 1 1   -8   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   50   10 o   13.631   1.9836  181.651   52.486  181.651   52.486   0.0000   0.0000   13.631   1.9836  ?   ?       ?      ? 
1 1 1   -8   50   11 o   29.996   1.0438  875.288   60.780  875.288   60.780   0.0000   0.0000   29.996   1.0438  ?   ?       ?      ? 
1 1 1   -8   50   12 o   30.847   0.9944  925.629   59.546  925.629   59.546   0.0000   0.0000   30.847   0.9944  ?   ?       ?      ? 
1 1 1   -8   50   13 o   7.6955   2.7055   51.885   50.108   51.885   50.108   0.0000   0.0000   7.6955   2.7055  ?   ?       ?      ? 
1 1 1   -8   50   14 o   38.874   0.9446  1470.69   71.285  1470.69   71.285   0.0000   0.0000   38.874   0.9446  ?   ?       ?      ? 
1 1 1   -8   50   15 o   28.832   1.1679  810.471   65.362  810.471   65.362   0.0000   0.0000   28.832   1.1679  ?   ?       ?      ? 
1 1 1   -8   50   16 o   7.6646   2.0083   46.219   39.512   53.900   59.381   40.115   52.931   8.0338   2.9303   7.2955   2.7470 0.7383299 4.016559 
1 1 1   -8   50   17 o   6.1929   1.8642 -13.4904   40.757   35.395   62.786 -49.0908   53.580   7.4918   2.9462   4.8939   2.2851 2.597840 3.728498 
1 1 1   -8   50   18 o   26.385   0.9345  679.901   47.771  729.934   70.214  636.783   65.182   27.284   1.3257   25.485   1.3176 1.798727 1.869097 
1 1 1   -8   50   19 o   8.1568   2.0635   50.685   45.248  -1.2291   65.257   98.755   62.795   6.5397   2.8215   9.7738   3.0119 -3.234131 4.126992 
1 1 1   -8   50   20 o   25.245   0.9644  627.047   47.124  627.719   64.297  626.267   69.265   25.272   1.3106   25.217   1.4150 0.5519104E-01 1.928720 
1 1 1   -8   50   21 o   11.863   2.0754  150.239   47.962  188.339   70.589  117.565   65.369   13.266   2.8275   10.459   3.0389 2.806998 4.150876 
1 1 1   -8   50   22 o   25.486   1.0376  646.728   50.859  669.879   68.256  617.830   76.259   26.041   1.3502   24.931   1.5758 1.110661 2.075133 
1 1 1   -8   50   23 o   14.924   2.2432  249.051   62.082  241.878   97.326  253.971   80.610   14.544   3.4916   15.304   2.8173 -0.7602386 4.486447 
1 1 1   -8   51    1 o   39.297   0.9632  1490.20   56.542  1483.29   62.403  1521.88  133.627   39.075   0.8227   39.519   1.7419 -0.4440651 1.926395 
1 1 1   -8   51    2 o   72.243   0.8731  5018.39  103.667  4968.89  118.174  5183.69  215.951   71.516   0.8512   72.969   1.5246 -1.452805 1.746124 
1 1 1   -8   51    3 o   45.849   0.7845  2041.98   69.826  2041.98   69.826   0.0000   0.0000   45.849   0.7845  ?   ?       ?      ? 
1 1 1   -8   51    4 f   25.819   1.0130  647.937   50.771  647.937   50.771   0.0000   0.0000   25.819   1.0130  ?   ?       ?      ? 
1 1 1   -8   51    5 o   10.820   2.6903  119.283   56.267  119.283   56.267   0.0000   0.0000   10.820   2.6903  ?   ?       ?      ? 
1 1 1   -8   51    6 f   24.748   1.2576  595.871   60.416  595.871   60.416   0.0000   0.0000   24.748   1.2576  ?   ?       ?      ? 
1 1 1   -8   51    7 o   73.210   1.0368  5211.15  147.348  5211.15  147.348   0.0000   0.0000   73.210   1.0368  ?   ?       ?      ? 
1 1 1   -8   51    8 o   48.119   0.8915  2250.57   83.276  2250.57   83.276   0.0000   0.0000   48.119   0.8915  ?   ?       ?      ? 
1 1 1   -8   51    9 o   10.215   2.6129  106.548   52.019  106.548   52.019   0.0000   0.0000   10.215   2.6129  ?   ?       ?      ? 
1 1 1   -8   51   10 o   19.539   1.4227  372.171   53.963  372.171   53.963   0.0000   0.0000   19.539   1.4227  ?   ?       ?      ? 
1 1 1   -8   51   11 o   48.043   0.8660  2244.17   80.763  2244.17   80.763   0.0000   0.0000   48.043   0.8660  ?   ?       ?      ? 
1 1 1   -8   51   12 o   17.944   1.5336  314.453   53.417  314.453   53.417   0.0000   0.0000   17.944   1.5336  ?   ?       ?      ? 
1 1 1   -8   51   13 o   10.073   2.6389  104.192   52.218  104.192   52.218   0.0000   0.0000   10.073   2.6389  ?   ?       ?      ? 
1 1 1   -8   51   14 o   22.996   1.2063  515.726   53.847  515.726   53.847   0.0000   0.0000   22.996   1.2063  ?   ?       ?      ? 
1 1 1   -8   51   15 o   16.322   1.9704  262.438   62.430  262.438   62.430   0.0000   0.0000   16.322   1.9704  ?   ?       ?      ? 
1 1 1   -8   51   16 o   21.206   1.0061  438.935   41.010  452.902   62.960  428.643   54.048   21.485   1.5096   20.927   1.3305 0.5581551 2.012253 
1 1 1   -8   51   17 o   31.522   0.7798  969.764   47.638  1048.66   68.601  896.284   66.205   32.763   1.0787   30.280   1.1263 2.482574 1.559518 
1 1 1   -8   51   18 o   30.378   0.8755  903.409   51.604  942.687   74.165  866.548   71.848   31.019   1.2317   29.737   1.2447 1.281975 1.751096 
1 1 1   -8   51   19 o   35.475   0.8430  1233.68   58.018  1291.52   82.470  1177.01   81.637   36.305   1.1702   34.646   1.2139 1.659302 1.686081 
1 1 1   -8   51   20 o   6.3160   1.9783 -14.3252   47.792 -12.2438   71.569 -16.0004   64.205   6.5333   2.8834   6.0987   2.7093 0.4346228 3.956578 
1 1 1   -8   51   21 o   12.413   2.1051  163.745   50.014  205.122   76.550  132.926   66.065   13.769   2.9526   11.056   3.0013 2.713648 4.210150 
1 1 1   -8   51   22 o   7.0468   2.1905  -5.9491   56.785   10.114   89.651 -16.7112   73.383   7.6431   3.3022   6.4504   2.8790 1.192668 4.381035 
1 1 1   -8   51   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   52    1 o   23.855   1.4585  622.892   48.049  656.887   52.912  463.022  114.744   25.993   1.0487   21.717   2.7219 4.276438 2.916935 
1 1 1   -8   52    2 o   13.966   2.2946  215.005   48.185  226.365   52.428  153.220  122.269   15.234   1.7729   12.698   4.2330 2.536167 4.589224 
1 1 1   -8   52    3 o   29.352   0.9983  837.525   56.882  837.525   56.882   0.0000   0.0000   29.352   0.9983  ?   ?       ?      ? 
1 1 1   -8   52    4 o   36.418   0.8089  1288.67   57.186  1288.67   57.186   0.0000   0.0000   36.418   0.8089  ?   ?       ?      ? 
1 1 1   -8   52    5 o   30.600   1.0262  910.508   60.955  910.508   60.955   0.0000   0.0000   30.600   1.0262  ?   ?       ?      ? 
1 1 1   -8   52    6 f   6.6075   2.7159   14.061   55.951   14.061   55.951   0.0000   0.0000   6.6075   2.7159  ?   ?       ?      ? 
1 1 1   -8   52    7 f   7.6978   2.8054   47.843   54.413   47.843   54.413   0.0000   0.0000   7.6978   2.8054  ?   ?       ?      ? 
1 1 1   -8   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   52    9 o   46.471   0.8674  2099.62   78.246  2099.62   78.246   0.0000   0.0000   46.471   0.8674  ?   ?       ?      ? 
1 1 1   -8   52   10 o   11.622   2.3599  137.568   51.422  137.568   51.422   0.0000   0.0000   11.622   2.3599  ?   ?       ?      ? 
1 1 1   -8   52   11 o   25.888   1.1081  652.666   55.687  652.666   55.687   0.0000   0.0000   25.888   1.1081  ?   ?       ?      ? 
1 1 1   -8   52   12 o   38.181   0.9078  1418.46   67.284  1418.46   67.284   0.0000   0.0000   38.181   0.9078  ?   ?       ?      ? 
1 1 1   -8   52   13 o   27.465   1.0516  734.875   56.064  734.875   56.064   0.0000   0.0000   27.465   1.0516  ?   ?       ?      ? 
1 1 1   -8   52   14 o   7.0423   2.7691   29.987   55.456   29.987   55.456   0.0000   0.0000   7.0423   2.7691  ?   ?       ?      ? 
1 1 1   -8   52   15 o   9.7399   2.8490   97.612   57.283   97.612   57.283   0.0000   0.0000   9.7399   2.8490  ?   ?       ?      ? 
1 1 1   -8   52   16 o   18.476   1.7961  337.194   64.416  337.194   64.416   0.0000   0.0000   18.476   1.7961  ?   ?       ?      ? 
1 1 1   -8   52   17 o   13.113   1.7836  177.662   43.557  189.645   65.438  168.130   58.364   13.495   2.5921   12.731   2.4507 0.7647724 3.567208 
1 1 1   -8   52   18 o   29.123   0.8946  833.951   50.444  773.486   71.835  892.774   70.853   28.066   1.3185   30.181   1.2094 -2.114338 1.789155 
1 1 1   -8   52   19 o   18.249   1.3286  332.896   46.756  338.554   62.981  325.950   69.788   18.453   1.7582   18.045   1.9923 0.4075890 2.657173 
1 1 1   -8   52   20 o   14.866   1.7408  230.878   48.587  203.561   70.354  255.787   67.182   13.831   2.7174   15.901   2.1766 -2.069913 3.481580 
1 1 1   -8   52   21 o   26.748   1.0345  709.490   53.689  737.976   76.379  681.666   75.485   27.287   1.4420   26.209   1.4837 1.077646 2.068979 
1 1 1   -8   52   22 f   6.8041   2.1702 -46.2396   59.019   33.295   99.100 -89.9526   73.468   8.3688   3.5395   5.2394   2.5122 3.129487 4.340424 
1 1 1   -8   53    1 o   53.829   0.8724  2844.00   74.614  2861.57   84.243  2780.06  160.718   54.264   0.7997   53.395   1.5506 0.8697891 1.744704 
1 1 1   -8   53    2 o   66.234   0.8472  4253.99   91.999  4240.28  104.931  4299.56  191.290   66.054   0.8184   66.415   1.4837 -0.3614273 1.694466 
1 1 1   -8   53    3 o   18.830   1.4754  345.614   53.931  345.614   53.931   0.0000   0.0000   18.830   1.4754  ?   ?       ?      ? 
1 1 1   -8   53    4 o   67.009   0.9950  4366.89  129.429  4366.89  129.429   0.0000   0.0000   67.009   0.9950  ?   ?       ?      ? 
1 1 1   -8   53    5 o   15.412   1.9362  232.357   57.926  232.357   57.926   0.0000   0.0000   15.412   1.9362  ?   ?       ?      ? 
1 1 1   -8   53    6 o   63.142   0.9415  3877.05  115.399  3877.05  115.399   0.0000   0.0000   63.142   0.9415  ?   ?       ?      ? 
1 1 1   -8   53    7 o   20.207   1.3391  397.941   52.528  397.941   52.528   0.0000   0.0000   20.207   1.3391  ?   ?       ?      ? 
1 1 1   -8   53    8 o   37.283   0.9167  1351.92   66.348  1351.92   66.348   0.0000   0.0000   37.283   0.9167  ?   ?       ?      ? 
1 1 1   -8   53    9 o   12.959   2.3211  170.128   56.245  170.128   56.245   0.0000   0.0000   12.959   2.3211  ?   ?       ?      ? 
1 1 1   -8   53   10 o   45.353   0.9082  2001.18   79.959  2001.18   79.959   0.0000   0.0000   45.353   0.9082  ?   ?       ?      ? 
1 1 1   -8   53   11 o   7.0951   2.7304   33.994   53.007   33.994   53.007   0.0000   0.0000   7.0951   2.7304  ?   ?       ?      ? 
1 1 1   -8   53   12 o   54.852   0.8841  2928.11   94.142  2928.11   94.142   0.0000   0.0000   54.852   0.8841  ?   ?       ?      ? 
1 1 1   -8   53   13 o   3.5695   1.7896 -152.3019   53.394 -152.3019   53.394   0.0000   0.0000   3.5695   1.7896  ?   ?       ?      ? 
1 1 1   -8   53   14 o   33.426   0.9692  1089.26   62.889  1089.26   62.889   0.0000   0.0000   33.426   0.9692  ?   ?       ?      ? 
1 1 1   -8   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   53   16 o   31.217   1.1418  953.506   69.193  953.506   69.193   0.0000   0.0000   31.217   1.1418  ?   ?       ?      ? 
1 1 1   -8   53   17 o   16.172   1.4427  261.873   44.720  313.532   64.014  212.627   62.501   17.774   1.8553   14.570   2.2098 3.203983 2.885410 
1 1 1   -8   53   18 o   35.049   0.8297  1203.90   56.274  1336.88   80.967  1079.65   78.267   36.933   1.1294   33.165   1.2157 3.768185 1.659340 
1 1 1   -8   53   19 o   9.2994   2.2674   86.458   49.993   72.131   72.277   99.600   69.224   8.8359   3.2313   9.7629   3.1817 -0.9269629 4.534831 
1 1 1   -8   53   20 o   9.4259   2.2296   90.938   50.433   47.366   75.667  125.766   67.650   8.1186   3.2211   10.733   3.0837 -2.614565 4.459202 
1 1 1   -8   53   21 f   7.3609   2.2712   7.5272   57.842 -12.2736  104.981   16.159   69.312   7.7236   3.4456   6.9981   2.9600 0.7254643 4.542457 
1 1 1   -8   54    1 o   9.6526   2.4698   71.962   49.499   67.444   54.914   91.540  114.314   8.4932   2.8369   10.812   4.0437 -2.318867 4.939592 
1 1 1   -8   54    2 f   33.622   0.9756  1066.36   51.685  1042.17   57.776  1163.25  115.646   32.738   0.9091   34.505   1.7266 -1.767014 1.951290 
1 1 1   -8   54    3 o   18.889   1.4276  347.885   52.346  347.885   52.346   0.0000   0.0000   18.889   1.4276  ?   ?       ?      ? 
1 1 1   -8   54    4 o   17.585   1.5429  301.796   52.670  301.796   52.670   0.0000   0.0000   17.585   1.5429  ?   ?       ?      ? 
1 1 1   -8   54    5 o   40.191   0.9871  1571.48   77.014  1571.48   77.014   0.0000   0.0000   40.191   0.9871  ?   ?       ?      ? 
1 1 1   -8   54    6 o   14.989   2.0515  220.354   59.690  220.354   59.690   0.0000   0.0000   14.989   2.0515  ?   ?       ?      ? 
1 1 1   -8   54    7 o   19.718   1.4560  379.487   55.730  379.487   55.730   0.0000   0.0000   19.718   1.4560  ?   ?       ?      ? 
1 1 1   -8   54    8 o   42.110   0.8959  1725.03   73.229  1725.03   73.229   0.0000   0.0000   42.110   0.8959  ?   ?       ?      ? 
1 1 1   -8   54    9 o   26.063   1.1623  662.022   58.802  662.022   58.802   0.0000   0.0000   26.063   1.1623  ?   ?       ?      ? 
1 1 1   -8   54   10 o   24.025   1.2303  563.018   57.379  563.018   57.379   0.0000   0.0000   24.025   1.2303  ?   ?       ?      ? 
1 1 1   -8   54   11 o   30.342   0.9939  896.697   58.537  896.697   58.537   0.0000   0.0000   30.342   0.9939  ?   ?       ?      ? 
1 1 1   -8   54   12 o   7.7283   2.7520   52.231   52.003   52.231   52.003   0.0000   0.0000   7.7283   2.7520  ?   ?       ?      ? 
1 1 1   -8   54   13 o   12.172   2.1706  151.191   49.404  151.191   49.404   0.0000   0.0000   12.172   2.1706  ?   ?       ?      ? 
1 1 1   -8   54   14 o   13.481   2.1048  180.694   55.080  180.694   55.080   0.0000   0.0000   13.481   2.1048  ?   ?       ?      ? 
1 1 1   -8   54   15 o   23.794   1.3279  555.509   61.332  555.509   61.332   0.0000   0.0000   23.794   1.3279  ?   ?       ?      ? 
1 1 1   -8   54   16 o   27.944   1.3534  766.893   73.415  766.893   73.415   0.0000   0.0000   27.944   1.3534  ?   ?       ?      ? 
1 1 1   -8   54   17 o   9.9485   2.1158  105.362   44.799   82.043   68.235  123.030   59.393   9.1495   3.1605   10.747   2.8138 -1.597898 4.231576 
1 1 1   -8   54   18 o   15.103   1.6778  238.191   46.995  286.608   65.878  188.023   67.059   16.897   2.0085   13.310   2.6881 3.587035 3.355555 
1 1 1   -8   54   19 o   8.8909   2.1835   78.507   45.890   75.877   61.697   81.763   68.658   8.7209   3.0057   9.0610   3.1680 -0.3400707 4.366951 
1 1 1   -8   54   20 o   9.6485   2.2869   99.515   57.424 -15.1001  104.677  148.855   68.680   7.6913   3.4353   11.606   3.0197 -3.914264 4.573784 
1 1 1   -8   54   21 o   12.160   2.4108  172.063   58.810  150.943   96.476  184.551   74.188   11.453   3.7573   12.867   3.0218 -1.414199 4.821693 
1 1 1   -8   55    1 o   16.367   2.1256  355.326   49.243  406.382   55.020  149.773  110.396   20.411   1.3887   12.324   4.0181 8.086620 4.251278 
1 1 1   -8   55    2 o   10.457   2.5655  112.171   51.683  112.171   51.683   0.0000   0.0000   10.457   2.5655  ?   ?       ?      ? 
1 1 1   -8   55    3 o   14.306   1.7604  200.260   48.886  200.260   48.886   0.0000   0.0000   14.306   1.7604  ?   ?       ?      ? 
1 1 1   -8   55    4 o   21.411   1.2817  446.928   53.269  446.928   53.269   0.0000   0.0000   21.411   1.2817  ?   ?       ?      ? 
1 1 1   -8   55    5 o   38.910   0.9773  1473.39   73.818  1473.39   73.818   0.0000   0.0000   38.910   0.9773  ?   ?       ?      ? 
1 1 1   -8   55    6 o   42.597   0.9273  1765.63   76.676  1765.63   76.676   0.0000   0.0000   42.597   0.9273  ?   ?       ?      ? 
1 1 1   -8   55    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   55    8 o   18.646   1.4925  339.877   54.020  339.877   54.020   0.0000   0.0000   18.646   1.4925  ?   ?       ?      ? 
1 1 1   -8   55    9 o   18.781   1.4350  344.778   52.316  344.778   52.316   0.0000   0.0000   18.781   1.4350  ?   ?       ?      ? 
1 1 1   -8   55   10 o   27.058   1.1344  714.093   59.583  714.093   59.583   0.0000   0.0000   27.058   1.1344  ?   ?       ?      ? 
1 1 1   -8   55   11 o   9.6725   2.7427   96.352   53.866   96.352   53.866   0.0000   0.0000   9.6725   2.7427  ?   ?       ?      ? 
1 1 1   -8   55   12 o   21.047   1.3318  433.764   54.410  433.764   54.410   0.0000   0.0000   21.047   1.3318  ?   ?       ?      ? 
1 1 1   -8   55   13 o   7.5087   2.7484   47.520   52.304   47.520   52.304   0.0000   0.0000   7.5087   2.7484  ?   ?       ?      ? 
1 1 1   -8   55   14 o   21.180   1.3644  440.461   56.097  440.461   56.097   0.0000   0.0000   21.180   1.3644  ?   ?       ?      ? 
1 1 1   -8   55   15 o   36.521   1.0410  1303.65   73.800  1303.65   73.800   0.0000   0.0000   36.521   1.0410  ?   ?       ?      ? 
1 1 1   -8   55   16 o   50.384   0.9724  2481.21   95.105  2481.21   95.105   0.0000   0.0000   50.384   0.9724  ?   ?       ?      ? 
1 1 1   -8   55   17 o   5.6977   2.6361 -48.4611   68.818 -48.4611   68.818   0.0000   0.0000   5.6977   2.6361  ?   ?       ?      ? 
1 1 1   -8   55   18 o   28.984   0.9836  830.354   55.280  877.072   78.425  784.222   77.931   29.807   1.3554   28.160   1.4256 1.647007 1.967115 
1 1 1   -8   55   19 o   12.406   2.1446  170.350   51.297  155.271   74.541  183.915   70.701   11.819   3.1794   12.993   2.8790 -1.173169 4.289223 
1 1 1   -8   55   20 o   9.1379   2.4372   75.913   56.582   99.549   96.761   63.632   69.750   9.9237   3.7186   8.3521   3.1515 1.571547 4.874409 
1 1 1   -8   56    1 o   13.281   2.2824  173.121   48.818  170.305   54.014  185.681  114.068   13.157   2.1149   13.405   4.0453 -0.2488270 4.564784 
1 1 1   -8   56    2 o   21.803   1.3465  463.969   56.992  463.969   56.992   0.0000   0.0000   21.803   1.3465  ?   ?       ?      ? 
1 1 1   -8   56    3 o   16.040   1.7216  251.991   53.603  251.991   53.603   0.0000   0.0000   16.040   1.7216  ?   ?       ?      ? 
1 1 1   -8   56    4 o   18.186   1.4390  323.083   50.799  323.083   50.799   0.0000   0.0000   18.186   1.4390  ?   ?       ?      ? 
1 1 1   -8   56    5 o   18.179   1.6764  323.663   59.159  323.663   59.159   0.0000   0.0000   18.179   1.6764  ?   ?       ?      ? 
1 1 1   -8   56    6 o   14.438   2.0634  205.177   57.827  205.177   57.827   0.0000   0.0000   14.438   2.0634  ?   ?       ?      ? 
1 1 1   -8   56    7 o   10.328   2.7173  110.025   55.213  110.025   55.213   0.0000   0.0000   10.328   2.7173  ?   ?       ?      ? 
1 1 1   -8   56    8 f   11.584   2.3981  137.735   52.150  137.735   52.150   0.0000   0.0000   11.584   2.3981  ?   ?       ?      ? 
1 1 1   -8   56    9 o   17.710   1.6240  307.795   55.831  307.795   55.831   0.0000   0.0000   17.710   1.6240  ?   ?       ?      ? 
1 1 1   -8   56   10 o   5.9510   2.5866  -6.5608   55.671  -6.5608   55.671   0.0000   0.0000   5.9510   2.5866  ?   ?       ?      ? 
1 1 1   -8   56   11 o   36.752   0.9371  1316.97   66.857  1316.97   66.857   0.0000   0.0000   36.752   0.9371  ?   ?       ?      ? 
1 1 1   -8   56   12 o   8.5769   2.8255   72.428   54.538   72.428   54.538   0.0000   0.0000   8.5769   2.8255  ?   ?       ?      ? 
1 1 1   -8   56   13 o   4.1083   2.0108 -100.7774   53.754 -100.7774   53.754   0.0000   0.0000   4.1083   2.0108  ?   ?       ?      ? 
1 1 1   -8   56   14 o   8.1505   2.8499   62.041   55.563   62.041   55.563   0.0000   0.0000   8.1505   2.8499  ?   ?       ?      ? 
1 1 1   -8   56   15 o   7.2964   2.8486   37.049   58.342   37.049   58.342   0.0000   0.0000   7.2964   2.8486  ?   ?       ?      ? 
1 1 1   -8   56   16 o   12.751   2.9188  174.893   70.688  174.893   70.688   0.0000   0.0000   12.751   2.9188  ?   ?       ?      ? 
1 1 1   -8   56   17 o   26.989   1.3692  719.155   71.730  719.155   71.730   0.0000   0.0000   26.989   1.3692  ?   ?       ?      ? 
1 1 1   -8   56   18 o   17.663   1.4166  315.922   48.409  323.901   66.389  306.862   70.738   17.935   1.9069   17.392   2.0953 0.5430870 2.833120 
1 1 1   -8   56   19 o   13.196   2.3801  195.040   58.675  208.045  102.018  188.611   71.726   13.306   3.7751   13.087   2.8997 0.2186556 4.760194 
1 1 1   -8   57    1 o   9.9293   2.1572  109.413   48.360  142.237   54.146 -20.0135  107.519   11.775   2.4486   8.0834   3.5521 3.691895 4.314302 
1 1 1   -8   57    2 o   37.147   0.9179  1343.22   66.187  1343.22   66.187   0.0000   0.0000   37.147   0.9179  ?   ?       ?      ? 
1 1 1   -8   57    3 o   26.524   1.0972  685.706   56.492  685.706   56.492   0.0000   0.0000   26.524   1.0972  ?   ?       ?      ? 
1 1 1   -8   57    4 o   42.963   0.8108  1795.79   67.618  1795.79   67.618   0.0000   0.0000   42.963   0.8108  ?   ?       ?      ? 
1 1 1   -8   57    5 o   52.127   0.9346  2645.93   94.571  2645.93   94.571   0.0000   0.0000   52.127   0.9346  ?   ?       ?      ? 
1 1 1   -8   57    6 o   29.141   1.1198  828.313   63.342  828.313   63.342   0.0000   0.0000   29.141   1.1198  ?   ?       ?      ? 
1 1 1   -8   57    7 o   7.1369   2.8097   30.974   57.159   30.974   57.159   0.0000   0.0000   7.1369   2.8097  ?   ?       ?      ? 
1 1 1   -8   57    8 o   14.749   1.9839  215.052   56.802  215.052   56.802   0.0000   0.0000   14.749   1.9839  ?   ?       ?      ? 
1 1 1   -8   57    9 o   13.490   2.2032  180.981   57.696  180.981   57.696   0.0000   0.0000   13.490   2.2032  ?   ?       ?      ? 
1 1 1   -8   57   10 o   19.966   1.4184  391.222   54.971  391.222   54.971   0.0000   0.0000   19.966   1.4184  ?   ?       ?      ? 
1 1 1   -8   57   11 o   22.563   1.2834  499.089   56.210  499.089   56.210   0.0000   0.0000   22.563   1.2834  ?   ?       ?      ? 
1 1 1   -8   57   12 o   9.1339   2.7818   85.778   53.760   85.778   53.760   0.0000   0.0000   9.1339   2.7818  ?   ?       ?      ? 
1 1 1   -8   57   13 o   19.608   1.4730  378.615   56.067  378.615   56.067   0.0000   0.0000   19.608   1.4730  ?   ?       ?      ? 
1 1 1   -8   57   14 o   7.2507   2.8081   38.000   56.344   38.000   56.344   0.0000   0.0000   7.2507   2.8081  ?   ?       ?      ? 
1 1 1   -8   57   15 o   25.003   1.3301  615.757   64.557  615.757   64.557   0.0000   0.0000   25.003   1.3301  ?   ?       ?      ? 
1 1 1   -8   57   16 o   26.287   1.3882  682.536   70.839  682.536   70.839   0.0000   0.0000   26.287   1.3882  ?   ?       ?      ? 
1 1 1   -8   57   17 o   6.9866   2.9303   17.783   67.010   17.783   67.010   0.0000   0.0000   6.9866   2.9303  ?   ?       ?      ? 
1 1 1   -8   57   18 o   10.778   2.1236  132.683   49.303   70.373   75.553  178.897   65.067   8.7140   3.2818   12.842   2.6960 -4.127768 4.247238 
1 1 1   -8   58    1 o   15.458   1.8354  193.092   47.842  143.993   54.245  365.007  101.504   11.826   2.4438   19.091   2.7389 -7.265691 3.670710 
1 1 1   -8   58    2 o   47.766   0.8133  2220.70   75.414  2220.70   75.414   0.0000   0.0000   47.766   0.8133  ?   ?       ?      ? 
1 1 1   -8   58    3 o   6.4750   2.6372   17.747   52.157   17.747   52.157   0.0000   0.0000   6.4750   2.6372  ?   ?       ?      ? 
1 1 1   -8   58    4 o   26.521   1.0920  686.326   56.219  686.326   56.219   0.0000   0.0000   26.521   1.0920  ?   ?       ?      ? 
1 1 1   -8   58    5 o   23.141   1.4924  525.155   67.039  525.155   67.039   0.0000   0.0000   23.141   1.4924  ?   ?       ?      ? 
1 1 1   -8   58    6 o   26.570   1.2419  690.398   64.053  690.398   64.053   0.0000   0.0000   26.570   1.2419  ?   ?       ?      ? 
1 1 1   -8   58    7 o   12.958   2.4539  173.104   59.466  173.104   59.466   0.0000   0.0000   12.958   2.4539  ?   ?       ?      ? 
1 1 1   -8   58    8 o   13.889   2.1118  191.854   56.937  191.854   56.937   0.0000   0.0000   13.889   2.1118  ?   ?       ?      ? 
1 1 1   -8   58    9 o   24.071   1.2886  567.989   60.212  567.989   60.212   0.0000   0.0000   24.071   1.2886  ?   ?       ?      ? 
1 1 1   -8   58   10 f   24.144   1.3019  571.778   61.017  571.778   61.017   0.0000   0.0000   24.144   1.3019  ?   ?       ?      ? 
1 1 1   -8   58   11 o   17.747   1.5582  310.408   53.682  310.408   53.682   0.0000   0.0000   17.747   1.5582  ?   ?       ?      ? 
1 1 1   -8   58   12 o   7.5814   2.7653   49.842   52.883   49.842   52.883   0.0000   0.0000   7.5814   2.7653  ?   ?       ?      ? 
1 1 1   -8   58   13 o   20.100   1.5533  399.442   60.608  399.442   60.608   0.0000   0.0000   20.100   1.5533  ?   ?       ?      ? 
1 1 1   -8   58   14 o   6.4100   2.6600   15.242   54.373   15.242   54.373   0.0000   0.0000   6.4100   2.6600  ?   ?       ?      ? 
1 1 1   -8   58   15 o   10.478   2.9164  118.571   61.499  118.571   61.499   0.0000   0.0000   10.478   2.9164  ?   ?       ?      ? 
1 1 1   -8   58   16 o   16.672   2.1452  282.404   69.427  282.404   69.427   0.0000   0.0000   16.672   2.1452  ?   ?       ?      ? 
1 1 1   -8   58   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -8   59    1 o   22.218   1.3526  483.633   58.339  483.633   58.339   0.0000   0.0000   22.218   1.3526  ?   ?       ?      ? 
1 1 1   -8   59    2 o   5.6951   2.4787  -6.6023   51.255  -6.6023   51.255   0.0000   0.0000   5.6951   2.4787  ?   ?       ?      ? 
1 1 1   -8   59    3 o   18.199   1.4721  325.078   52.006  325.078   52.006   0.0000   0.0000   18.199   1.4721  ?   ?       ?      ? 
1 1 1   -8   59    4 o   26.589   1.0712  690.345   55.289  690.345   55.289   0.0000   0.0000   26.589   1.0712  ?   ?       ?      ? 
1 1 1   -8   59    5 o   21.215   1.5128  442.339   62.301  442.339   62.301   0.0000   0.0000   21.215   1.5128  ?   ?       ?      ? 
1 1 1   -8   59    6 o   12.490   2.6456  162.968   62.150  162.968   62.150   0.0000   0.0000   12.490   2.6456  ?   ?       ?      ? 
1 1 1   -8   59    7 o   35.275   1.0102  1215.23   69.173  1215.23   69.173   0.0000   0.0000   35.275   1.0102  ?   ?       ?      ? 
1 1 1   -8   59    8 f   9.9219   2.7726  103.154   55.466  103.154   55.466   0.0000   0.0000   9.9219   2.7726  ?   ?       ?      ? 
1 1 1   -8   59    9 f   7.9633   2.8867   55.637   57.500   55.637   57.500   0.0000   0.0000   7.9633   2.8867  ?   ?       ?      ? 
1 1 1   -8   59   10 o   14.607   2.0092  212.682   56.972  212.682   56.972   0.0000   0.0000   14.607   2.0092  ?   ?       ?      ? 
1 1 1   -8   59   11 o   13.293   2.0775  176.906   53.606  176.906   53.606   0.0000   0.0000   13.293   2.0775  ?   ?       ?      ? 
1 1 1   -8   59   12 o   31.636   1.0643  980.201   65.360  980.201   65.360   0.0000   0.0000   31.636   1.0643  ?   ?       ?      ? 
1 1 1   -8   59   13 o   9.1491   2.8371   87.570   55.618   87.570   55.618   0.0000   0.0000   9.1491   2.8371  ?   ?       ?      ? 
1 1 1   -8   59   14 o   6.1914   2.6867  -1.7164   59.865  -1.7164   59.865   0.0000   0.0000   6.1914   2.6867  ?   ?       ?      ? 
1 1 1   -8   59   15 o   6.5022   2.7303   13.694   58.283   13.694   58.283   0.0000   0.0000   6.5022   2.7303  ?   ?       ?      ? 
1 1 1   -8   59   16 f   7.3556   3.0173   30.478   68.891   30.478   68.891   0.0000   0.0000   7.3556   3.0173  ?   ?       ?      ? 
1 1 1   -8   60    1 o   39.733   0.9033  1539.89   69.670  1539.89   69.670   0.0000   0.0000   39.733   0.9033  ?   ?       ?      ? 
1 1 1   -8   60    2 o   8.0419   2.8209   59.696   54.460   59.696   54.460   0.0000   0.0000   8.0419   2.8209  ?   ?       ?      ? 
1 1 1   -8   60    3 f   11.890   2.3751  146.545   52.900  146.545   52.900   0.0000   0.0000   11.890   2.3751  ?   ?       ?      ? 
1 1 1   -8   60    4 o   16.450   1.6202  266.914   51.737  266.914   51.737   0.0000   0.0000   16.450   1.6202  ?   ?       ?      ? 
1 1 1   -8   60    5 o   37.999   0.9945  1410.07   73.353  1410.07   73.353   0.0000   0.0000   37.999   0.9945  ?   ?       ?      ? 
1 1 1   -8   60    6 o   39.626   0.9987  1533.54   76.824  1533.54   76.824   0.0000   0.0000   39.626   0.9987  ?   ?       ?      ? 
1 1 1   -8   60    7 f   6.2252   2.7141  -6.8600   61.688  -6.8600   61.688   0.0000   0.0000   6.2252   2.7141  ?   ?       ?      ? 
1 1 1   -8   60    8 o   36.499   1.0296  1302.14   72.948  1302.14   72.948   0.0000   0.0000   36.499   1.0296  ?   ?       ?      ? 
1 1 1   -8   60    9 o   21.069   1.4834  437.680   60.670  437.680   60.670   0.0000   0.0000   21.069   1.4834  ?   ?       ?      ? 
1 1 1   -8   60   10 o   7.6282   2.8452   48.630   56.517   48.630   56.517   0.0000   0.0000   7.6282   2.8452  ?   ?       ?      ? 
1 1 1   -8   60   11 o   11.640   2.6250  143.937   57.899  143.937   57.899   0.0000   0.0000   11.640   2.6250  ?   ?       ?      ? 
1 1 1   -8   60   12 o   20.763   1.5019  426.785   60.532  426.785   60.532   0.0000   0.0000   20.763   1.5019  ?   ?       ?      ? 
1 1 1   -8   60   13 o   40.257   0.9856  1587.52   77.021  1587.52   77.021   0.0000   0.0000   40.257   0.9856  ?   ?       ?      ? 
1 1 1   -8   60   14 o   17.450   1.7410  304.888   58.975  304.888   58.975   0.0000   0.0000   17.450   1.7410  ?   ?       ?      ? 
1 1 1   -8   60   15 o   21.410   1.6157  458.501   67.149  458.501   67.149   0.0000   0.0000   21.410   1.6157  ?   ?       ?      ? 
1 1 1   -8   61    1 o   24.105   1.3009  570.000   60.869  570.000   60.869   0.0000   0.0000   24.105   1.3009  ?   ?       ?      ? 
1 1 1   -8   61    2 o   22.800   1.3648  510.526   60.404  510.526   60.404   0.0000   0.0000   22.800   1.3648  ?   ?       ?      ? 
1 1 1   -8   61    3 o   19.175   1.5573  362.411   57.968  362.411   57.968   0.0000   0.0000   19.175   1.5573  ?   ?       ?      ? 
1 1 1   -8   61    4 o   14.864   1.8965  219.448   54.720  219.448   54.720   0.0000   0.0000   14.864   1.8965  ?   ?       ?      ? 
1 1 1   -8   61    5 o   27.405   1.2722  736.845   67.676  736.845   67.676   0.0000   0.0000   27.405   1.2722  ?   ?       ?      ? 
1 1 1   -8   61    6 f   21.855   1.6342  472.270   69.332  472.270   69.332   0.0000   0.0000   21.855   1.6342  ?   ?       ?      ? 
1 1 1   -8   61    7 o   19.454   1.6572  374.736   62.583  374.736   62.583   0.0000   0.0000   19.454   1.6572  ?   ?       ?      ? 
1 1 1   -8   61    8 o   20.645   1.5807  421.714   63.347  421.714   63.347   0.0000   0.0000   20.645   1.5807  ?   ?       ?      ? 
1 1 1   -8   61    9 o   11.168   2.6909  132.977   57.650  132.977   57.650   0.0000   0.0000   11.168   2.6909  ?   ?       ?      ? 
1 1 1   -8   61   10 o   19.555   1.6008  379.406   60.765  379.406   60.765   0.0000   0.0000   19.555   1.6008  ?   ?       ?      ? 
1 1 1   -8   61   11 o   11.983   2.6432  153.342   59.834  153.342   59.834   0.0000   0.0000   11.983   2.6432  ?   ?       ?      ? 
1 1 1   -8   61   12 o   15.150   2.0036  231.561   58.925  231.561   58.925   0.0000   0.0000   15.150   2.0036  ?   ?       ?      ? 
1 1 1   -8   61   13 o   19.757   1.6263  389.609   62.370  389.609   62.370   0.0000   0.0000   19.757   1.6263  ?   ?       ?      ? 
1 1 1   -8   61   14 o   6.2702   2.7542  -5.1678   64.579  -5.1678   64.579   0.0000   0.0000   6.2702   2.7542  ?   ?       ?      ? 
1 1 1   -8   62    1 o   26.490   1.2116  688.459   62.302  688.459   62.302   0.0000   0.0000   26.490   1.2116  ?   ?       ?      ? 
1 1 1   -8   62    2 o   23.615   1.3081  548.071   59.964  548.071   59.964   0.0000   0.0000   23.615   1.3081  ?   ?       ?      ? 
1 1 1   -8   62    3 o   29.491   1.0829  851.524   61.993  851.524   61.993   0.0000   0.0000   29.491   1.0829  ?   ?       ?      ? 
1 1 1   -8   62    4 o   22.344   1.3387  491.153   58.063  491.153   58.063   0.0000   0.0000   22.344   1.3387  ?   ?       ?      ? 
1 1 1   -8   62    5 o   18.980   1.8046  358.536   66.489  358.536   66.489   0.0000   0.0000   18.980   1.8046  ?   ?       ?      ? 
1 1 1   -8   62    6 o   30.043   1.2325  886.760   71.877  886.760   71.877   0.0000   0.0000   30.043   1.2325  ?   ?       ?      ? 
1 1 1   -8   62    7 o   10.060   2.8459  107.972   58.065  107.972   58.065   0.0000   0.0000   10.060   2.8459  ?   ?       ?      ? 
1 1 1   -8   62    8 o   26.655   1.3010  699.742   67.316  699.742   67.316   0.0000   0.0000   26.655   1.3010  ?   ?       ?      ? 
1 1 1   -8   62    9 o   21.229   1.5838  447.381   65.267  447.381   65.267   0.0000   0.0000   21.229   1.5838  ?   ?       ?      ? 
1 1 1   -8   62   10 o   18.759   1.6841  350.852   61.325  350.852   61.325   0.0000   0.0000   18.759   1.6841  ?   ?       ?      ? 
1 1 1   -8   62   11 o   11.434   2.6940  141.190   58.814  141.190   58.814   0.0000   0.0000   11.434   2.6940  ?   ?       ?      ? 
1 1 1   -8   62   12 o   7.7840   2.8982   54.197   58.594   54.197   58.594   0.0000   0.0000   7.7840   2.8982  ?   ?       ?      ? 
1 1 1   -8   62   13 o   8.9362   2.9250   84.859   58.479   84.859   58.479   0.0000   0.0000   8.9362   2.9250  ?   ?       ?      ? 
1 1 1   -8   63    1 o   16.374   1.8208  267.448   57.873  267.448   57.873   0.0000   0.0000   16.374   1.8208  ?   ?       ?      ? 
1 1 1   -8   63    2 o   15.601   1.8681  243.150   56.574  243.150   56.574   0.0000   0.0000   15.601   1.8681  ?   ?       ?      ? 
1 1 1   -8   63    3 o   7.7693   2.8011   54.910   54.034   54.910   54.034   0.0000   0.0000   7.7693   2.8011  ?   ?       ?      ? 
1 1 1   -8   63    4 o   15.564   1.7473  241.278   52.791  241.278   52.791   0.0000   0.0000   15.564   1.7473  ?   ?       ?      ? 
1 1 1   -8   63    5 o   19.988   1.6681  397.202   64.721  397.202   64.721   0.0000   0.0000   19.988   1.6681  ?   ?       ?      ? 
1 1 1   -8   63    6 f   15.254   2.1131  234.881   62.570  234.881   62.570   0.0000   0.0000   15.254   2.1131  ?   ?       ?      ? 
1 1 1   -8   63    7 o   12.883   2.6338  176.679   63.640  176.679   63.640   0.0000   0.0000   12.883   2.6338  ?   ?       ?      ? 
1 1 1   -8   63    8 o   15.162   2.2335  233.895   65.740  233.895   65.740   0.0000   0.0000   15.162   2.2335  ?   ?       ?      ? 
1 1 1   -8   63    9 o   8.3086   2.9625   66.426   60.281   66.426   60.281   0.0000   0.0000   8.3086   2.9625  ?   ?       ?      ? 
1 1 1   -8   63   10 o   22.772   1.4432  514.746   63.794  514.746   63.794   0.0000   0.0000   22.772   1.4432  ?   ?       ?      ? 
1 1 1   -8   63   11 o   14.440   2.1975  213.913   61.597  213.913   61.597   0.0000   0.0000   14.440   2.1975  ?   ?       ?      ? 
1 1 1   -8   63   12 o   5.6291   2.5145 -14.7681   56.104 -14.7681   56.104   0.0000   0.0000   5.6291   2.5145  ?   ?       ?      ? 
1 1 1   -8   64    1 o   20.076   1.5858  400.361   61.799  400.361   61.799   0.0000   0.0000   20.076   1.5858  ?   ?       ?      ? 
1 1 1   -8   64    2 o   18.202   1.7262  330.512   60.995  330.512   60.995   0.0000   0.0000   18.202   1.7262  ?   ?       ?      ? 
1 1 1   -8   64    3 o   10.448   2.8110  117.716   58.258  117.716   58.258   0.0000   0.0000   10.448   2.8110  ?   ?       ?      ? 
1 1 1   -8   64    4 o   11.633   2.5483  144.173   55.952  144.173   55.952   0.0000   0.0000   11.633   2.5483  ?   ?       ?      ? 
1 1 1   -8   64    5 o   21.082   1.6496  442.822   67.510  442.822   67.510   0.0000   0.0000   21.082   1.6496  ?   ?       ?      ? 
1 1 1   -8   64    6 o   8.3329   3.1154   61.885   67.843   61.885   67.843   0.0000   0.0000   8.3329   3.1154  ?   ?       ?      ? 
1 1 1   -8   64    7 o   17.216   1.9761  299.414   66.040  299.414   66.040   0.0000   0.0000   17.216   1.9761  ?   ?       ?      ? 
1 1 1   -8   64    8 o   14.328   2.2090  209.961   61.437  209.961   61.437   0.0000   0.0000   14.328   2.2090  ?   ?       ?      ? 
1 1 1   -8   64    9 o   21.961   1.5095  480.630   64.350  480.630   64.350   0.0000   0.0000   21.961   1.5095  ?   ?       ?      ? 
1 1 1   -8   64   10 o   20.551   1.6864  424.132   67.274  424.132   67.274   0.0000   0.0000   20.551   1.6864  ?   ?       ?      ? 
1 1 1   -8   65    1 o   18.366   1.8213  338.859   64.936  338.859   64.936   0.0000   0.0000   18.366   1.8213  ?   ?       ?      ? 
1 1 1   -8   65    2 f   18.307   1.7733  336.088   63.018  336.088   63.018   0.0000   0.0000   18.307   1.7733  ?   ?       ?      ? 
1 1 1   -8   65    3 o   15.118   2.0277  231.553   59.507  231.553   59.507   0.0000   0.0000   15.118   2.0277  ?   ?       ?      ? 
1 1 1   -8   65    4 o   20.524   1.5241  419.125   60.719  419.125   60.719   0.0000   0.0000   20.524   1.5241  ?   ?       ?      ? 
1 1 1   -8   65    5 o   10.225   3.1020  114.709   66.943  114.709   66.943   0.0000   0.0000   10.225   3.1020  ?   ?       ?      ? 
1 1 1   -8   65    6 f   7.0434   2.9713   17.717   69.547   17.717   69.547   0.0000   0.0000   7.0434   2.9713  ?   ?       ?      ? 
1 1 1   -8   65    7 o   6.6719   2.7739   19.710   59.286   19.710   59.286   0.0000   0.0000   6.6719   2.7739  ?   ?       ?      ? 
1 1 1   -8   65    8 o   8.8513   2.9385   82.765   58.944   82.765   58.944   0.0000   0.0000   8.8513   2.9385  ?   ?       ?      ? 
1 1 1   -8   66    1 o   20.581   1.6725  424.986   66.819  424.986   66.819   0.0000   0.0000   20.581   1.6725  ?   ?       ?      ? 
1 1 1   -8   66    2 o   8.2998   3.0094   66.741   62.499   66.741   62.499   0.0000   0.0000   8.2998   3.0094  ?   ?       ?      ? 
1 1 1   -8   66    3 o   26.121   1.2584  674.943   63.806  674.943   63.806   0.0000   0.0000   26.121   1.2584  ?   ?       ?      ? 
1 1 1   -8   66    4 o   24.634   1.2543  600.287   59.977  600.287   59.977   0.0000   0.0000   24.634   1.2543  ?   ?       ?      ? 
1 1 1   -8   66    5 o   7.8695   2.9477   55.928   60.789   55.928   60.789   0.0000   0.0000   7.8695   2.9477  ?   ?       ?      ? 
1 1 1   -7    0    1 o  260.345   2.4853 65818.06  1254.52 64083.74  1733.02 67727.41  1818.37  256.748   3.4786  263.941   3.5505 -0.000000 0.000000 
1 1 1   -7    0    2 o   83.963   0.9303  6846.73  151.514  6743.46  212.142  6954.25  216.472   83.316   1.3124   84.609   1.3187 -0.000000 0.000000 
1 1 1   -7    0    3 o  278.257   2.5016 75234.93  1350.14 74248.45  1876.26 76294.30  1944.33  276.371   3.4986  280.144   3.5767 -0.000000 0.000000 
1 1 1   -7    0    4 o   19.309   0.4933  363.563   18.387  367.275   25.189  359.329   26.903   19.418   0.6701   19.200   0.7242 -0.000000 0.000000 
1 1 1   -7    0    5 o   47.956   0.5949  2234.52   55.340  2265.43   78.193  2203.50   78.331   48.289   0.8347   47.623   0.8479 -0.000000 0.000000 
1 1 1   -7    0    6 o   68.549   0.8026  4565.14  106.726  4593.63  150.653  4536.44  151.216   68.765   1.1293   68.334   1.1407 -0.000000 0.000000 
1 1 1   -7    0    7 o  187.156   2.0828 33663.68  691.722 33122.96  822.421 34971.03  1278.81  184.661   2.2951  189.651   3.4763 -0.000000 0.000000 
1 1 1   -7    0    8 o  161.989   2.1285 25802.67  601.234 26196.16  712.001 24824.83  1122.40  164.222   2.2344  159.757   3.6235 -0.000000 0.000000 
1 1 1   -7    0    9 o  384.629   2.7447 143714.70  2048.78 144340.30  2895.16 143087.09  2899.67  385.468   3.8701  383.789   3.8931 -0.000000 0.000000 
1 1 1   -7    0   10 o  274.938   2.6185 73443.52  1396.76 73729.14  1961.62 73149.79  1989.31  275.483   3.6697  274.393   3.7363 -0.000000 0.000000 
1 1 1   -7    0   11 o  297.609   2.6964 85949.93  1556.25 89372.90  2246.34 82790.73  2158.05  303.303   3.8167  291.915   3.8098 -0.000000 0.000000 
1 1 1   -7    0   12 o   37.778   3.8301  1464.62  263.612  1387.11  359.801  1554.44  387.325   36.647   5.4023   38.909   5.4309 -0.000000 0.000000 
1 1 1   -7    0   13 o  368.841   2.8302 132178.91  2025.75 132869.50  2855.80 131479.50  2873.96  369.813   3.9792  367.868   4.0257 -0.000000 0.000000 
1 1 1   -7    0   14 o  449.681   2.5669 196275.50  2049.04 196051.00  2444.76 196805.41  3756.51  449.324   2.8032  450.037   4.3009 -0.000000 0.000000 
1 1 1   -7    0   15 o  140.957   2.1692 18969.92  445.889 18791.82  488.537 19858.45  1091.19  139.097   1.8100  142.817   3.9428 -0.000000 0.000000 
1 1 1   -7    0   16 o   53.448   3.1047  2621.80  116.813  2606.20  118.863  3062.66  631.814   51.776   1.1840   55.120   6.0954 -0.000000 0.000000 
1 1 1   -7    0   17 o   28.964   5.7443  842.984   88.644  837.206   89.592  1111.77  611.026   29.237   1.5893   28.692   11.378 -0.000000 0.000000 
1 1 1   -7    0   18 o  202.224   2.4380 40125.68  790.719 40397.41  896.330 39172.16  1679.08  203.913   2.2650  200.534   4.3179 -0.000000 0.000000 
1 1 1   -7    0   19 f  111.385   2.4856 11927.56  347.414 11874.61  369.909 12323.66  1011.69  110.546   1.7247  112.223   4.6624 -0.000000 0.000000 
1 1 1   -7    0   20 o  163.501   2.4795 26191.32  621.029 26284.36  692.367 25808.32  1404.73  164.442   2.1698  162.560   4.4592 -0.000000 0.000000 
1 1 1   -7    0   21 o  138.974   2.6221 18785.92  493.574 18762.08  533.037 18929.29  1307.12  138.929   1.9774  139.020   4.8571 -0.000000 0.000000 
1 1 1   -7    0   22 o   22.130   5.5365  571.634   98.909  570.909  100.361  596.147  583.483   23.939   2.2026   20.320   10.852 -0.000000 0.000000 
1 1 1   -7    0   23 o   15.791   6.3388  134.587   94.038  123.360   94.917  732.128  692.478   9.2700   4.5021   22.311   11.851 -0.000000 0.000000 
1 1 1   -7    0   24 o   21.755   6.9869  341.188  107.760  330.557  108.581  1036.36  878.064   17.389   3.6530   26.122   13.488 -0.000000 0.000000 
1 1 1   -7    0   25 o   71.462   4.7625  6119.38  233.749  6213.40  239.490  4228.49  1074.06   79.925   1.5449   62.999   9.3988 -0.000000 0.000000 
1 1 1   -7    0   26 o   17.216   5.1216  421.832  116.359  440.996  117.113 -1052.1620  1027.10   20.587   3.1495   13.846   9.7470 -0.000000 0.000000 
1 1 1   -7    0   27 o  137.212   2.4558 18355.09  653.628 18355.09  653.628   0.0000   0.0000  137.212   2.4558  137.212   2.4558 -0.000000 0.000000 
1 1 1   -7    0   28 o   9.2931   4.9397  123.138  120.372  123.138  120.372   0.0000   0.0000   9.2931   4.9397   9.2931   4.9397 -0.000000 0.000000 
1 1 1   -7    0   29 o   61.749   1.5685  3717.85  187.736  3717.85  187.736   0.0000   0.0000   61.749   1.5685   61.749   1.5685 -0.000000 0.000000 
1 1 1   -7    0   30 o   43.209   1.7645  1829.64  147.443  1829.64  147.443   0.0000   0.0000   43.209   1.7645   43.209   1.7645 -0.000000 0.000000 
1 1 1   -7    0   31 o   6.2546   4.1120 -15.4122  126.332 -15.4122  126.332   0.0000   0.0000   6.2546   4.1120   6.2546   4.1120 -0.000000 0.000000 
1 1 1   -7    0   32 o   40.148   1.9252  1592.34  149.248  1592.34  149.248   0.0000   0.0000   40.148   1.9252   40.148   1.9252 -0.000000 0.000000 
1 1 1   -7    0   33 o   5.3832   3.7372 -103.5890  136.724 -103.5890  136.724   0.0000   0.0000   5.3832   3.7372   5.3832   3.7372 -0.000000 0.000000 
1 1 1   -7    0   34 o   33.904   2.5708  1167.71  166.954  1167.71  166.954   0.0000   0.0000   33.904   2.5708   33.904   2.5708 -0.000000 0.000000 
1 1 1   -7    0   35 o   10.996   5.7541  210.005  161.436  210.005  161.436   0.0000   0.0000   10.996   5.7541   10.996   5.7541 -0.000000 0.000000 
1 1 1   -7    1    1 o   37.973   0.3713  1398.99   27.366  1432.64   39.207  1367.03   38.214   38.418   0.5257   37.528   0.5246 0.8900185 0.7426744 
1 1 1   -7    1    2 o   69.505   0.5821  4689.27   78.534  4659.43  110.597  4719.62  111.536   69.282   0.8223   69.728   0.8240 -0.4460297 1.164160 
1 1 1   -7    1    3 o  131.986   0.9224 16906.95  236.281 16586.92  330.317 17242.28  338.123  130.708   1.3019  133.265   1.3071 -2.556992 1.844785 
1 1 1   -7    1    4 o   50.103   0.4458  2436.56   43.359  2446.99   61.437  2426.22   61.202   50.209   0.6303   49.996   0.6306 0.2135696 0.8916384 
1 1 1   -7    1    5 o  140.161   0.9663 19069.24  262.893 19315.53  374.909 18830.99  368.741  141.051   1.3693  139.271   1.3639 1.780228 1.932670 
1 1 1   -7    1    6 o  195.548   1.1941 37128.89  453.283 36959.23  639.565 37300.13  642.524  195.099   1.6887  195.997   1.6888 -0.8977203 2.388282 
1 1 1   -7    1    7 o   46.923   0.5810  2131.71   52.840  2239.50   77.329  2037.30   72.371   48.033   0.8293   45.813   0.8138 2.219624 1.161919 
1 1 1   -7    1    8 o  169.684   1.3124 27954.72  432.278 28059.14  611.382 27850.35  611.284  170.001   1.8527  169.367   1.8593 0.6338806 2.624758 
1 1 1   -7    1    9 o  238.019   1.8052 55011.13  834.032 54722.57  1174.11 55305.05  1184.96  237.389   2.5479  238.648   2.5579 -1.259628 3.610345 
1 1 1   -7    1   10 o  145.558   1.7953 20572.42  507.259 20579.98  718.059 20564.88  716.689  145.585   2.5408  145.531   2.5369 0.5335999E-01 3.590533 
1 1 1   -7    1   11 o  248.199   1.8524 59817.54  892.490 59614.28  1259.00 60022.86  1265.37  247.775   2.6176  248.622   2.6219 -0.8474426 3.704861 
1 1 1   -7    1   12 o  401.121   2.0211 156114.09  1572.40 152825.80  2171.20 159741.09  2280.23  396.686   2.8196  405.555   2.8964 -8.868835 4.042208 
1 1 1   -7    1   13 o  105.128   1.5643 10733.37  257.517 10726.97  569.301 10735.01  288.745  105.096   2.7906  105.160   1.4145 -0.6378937E-01 3.128582 
1 1 1   -7    1   14 o  199.634   1.3086 38692.71  507.092 38960.93  720.125 38428.90  714.185  200.320   1.8519  198.948   1.8493 1.372345 2.617138 
1 1 1   -7    1   15 o  186.276   1.3242 33689.61  478.765 33052.50  674.856 34335.19  679.318  184.502   1.8843  188.049   1.8610 -3.546875 2.648330 
1 1 1   -7    1   16 o  154.552   1.2608 23190.16  378.234 22868.65  530.889 23521.60  539.012  153.464   1.7821  155.639   1.7841 -2.175369 2.521668 
1 1 1   -7    1   17 o  185.725   1.3617 33496.18  490.851 32705.27  688.684 34312.80  699.787  183.497   1.9334  187.953   1.9180 -4.456665 2.723396 
1 1 1   -7    1   18 o  147.413   1.2542 21106.78  358.874 21051.18  505.142 21163.44  509.941  147.217   1.7676  147.608   1.7797 -0.3912354 2.508342 
1 1 1   -7    1   19 o   79.030   0.9539  6064.38  146.323  6126.14  208.568  6004.53  205.334   79.426   1.3528   78.634   1.3452 0.7920685 1.907739 
1 1 1   -7    1   20 o  101.789   1.1045 10068.17  218.191 10236.55  307.458  9897.33  309.691  102.648   1.5430  100.931   1.5807 1.717491 2.208933 
1 1 1   -7    1   21 o  111.604   1.1700 12103.14  253.455 12015.42  355.425 12193.90  361.532  111.193   1.6467  112.014   1.6627 -0.8214493 2.340088 
1 1 1   -7    1   22 o   86.957   1.0446  7346.63  176.307  7468.01  251.030  7228.48  247.675   87.666   1.4751   86.249   1.4793 1.417702 2.089117 
1 1 1   -7    1   23 o   49.981   0.9836  2423.40   95.326  2514.40  138.864  2342.30  131.094   50.867   1.4063   49.096   1.3755 1.770401 1.967202 
1 1 1   -7    1   24 o   20.234   1.8564  399.062   72.892  411.998  104.530  386.817  101.699   20.553   2.6200   19.915   2.6307 0.6384106 3.712820 
1 1 1   -7    1   25 o   72.700   1.0436  5139.73  147.258  5051.89  208.104  5227.84  208.405   72.077   1.4874   73.324   1.4642 -1.246574 2.087134 
1 1 1   -7    1   26 o   49.645   1.0823  2393.90  104.171  2232.80  144.454  2568.45  150.364   47.905   1.5534   51.384   1.5075 -3.478378 2.164609 
1 1 1   -7    1   27 o   27.856   1.7398  762.428   92.482  592.292  128.566  944.861  133.131   24.599   2.6924   31.113   2.2043 -6.513512 3.479646 
1 1 1   -7    1   28 f   41.744   1.2345  1701.36   99.866  1591.93  141.538  1809.86  140.929   40.399   1.8048   43.089   1.6849 -2.690224 2.469067 
1 1 1   -7    1   29 o   47.289   1.1716  2185.72  107.403  2057.20  152.072  2313.62  151.711   45.892   1.7070   48.686   1.6053 -2.793987 2.343257 
1 1 1   -7    1   30 o   44.923   1.2008  1972.96  104.468  2014.55  153.789  1937.34  142.352   45.350   1.7469   44.495   1.6481 0.8552208 2.401686 
1 1 1   -7    1   31 o   16.383   2.8560  287.093   90.569  330.347  131.029  247.522  125.328   17.586   3.9365   15.181   4.1390 2.404307 5.712063 
1 1 1   -7    1   32 o   14.523   2.9759  218.477   96.047  358.775  141.871   99.767  130.501   18.016   4.1431   11.030   4.2730 6.986443 5.951788 
1 1 1   -7    1   33 f   12.957   3.0881  179.348   96.579   99.847  141.833  248.079  131.876   11.129   4.4117   14.784   4.3223 -3.655436 6.176202 
1 1 1   -7    1   34 o   14.308   3.1781  238.262  103.908  141.652  148.250  331.549  145.679   11.887   4.5682   16.730   4.4197 -4.842691 6.356287 
1 1 1   -7    1   35 o   42.700   1.5129  1868.92  125.174  1802.35  180.155  1931.06  174.048   41.884   2.2158   43.517   2.0604 -1.632923 3.025725 
1 1 1   -7    2    1 f  172.505   1.1415 28895.29  382.250 28791.41  538.647 29000.67  542.540  172.193   1.6115  172.817   1.6173 -0.6243286 2.283065 
1 1 1   -7    2    2 o   76.672   0.6217  5706.08   92.525  5757.33  131.455  5655.77  130.253   77.013   0.8793   76.331   0.8791 0.6822891 1.243371 
1 1 1   -7    2    3 o  188.268   1.1834 34415.95  432.457 34706.58  615.324 34132.27  607.915  189.053   1.6767  187.483   1.6704 1.570358 2.366752 
1 1 1   -7    2    4 o   58.504   0.4913  3322.09   55.796  3353.88   79.290  3290.90   78.532   58.781   0.6949   58.227   0.6948 0.5545502 0.9826519 
1 1 1   -7    2    5 o  130.320   0.9239 16487.39  233.727 16362.96  329.521 16613.37  331.569  129.825   1.3076  130.815   1.3057 -0.9896240 1.847866 
1 1 1   -7    2    6 o  138.630   0.9698 18657.72  260.982 18544.82  368.104 18771.82  370.072  138.208   1.3721  139.052   1.3710 -0.8433075 1.939645 
1 1 1   -7    2    7 o  310.266   1.8273 93501.27  1100.48 92786.23  1545.92 94235.86  1566.92  309.064   2.5767  311.468   2.5916 -2.403503 3.654595 
1 1 1   -7    2    8 o  459.879   2.0193 205363.00  1802.13 207652.09  2585.00 203198.41  2513.70  462.368   2.8801  457.389   2.8311 4.979431 4.038604 
1 1 1   -7    2    9 o  259.168   1.8239 65205.39  917.459 66380.09  1311.50 64079.60  1283.90  261.453   2.5841  256.883   2.5747 4.570007 3.647848 
1 1 1   -7    2   10 o  407.884   1.9883 161551.41  1574.21 160989.20  2215.19 162125.00  2237.51  407.168   2.8027  408.600   2.8210 -1.432404 3.976554 
1 1 1   -7    2   11 o  141.414   1.8538 19419.91  508.852 19626.16  718.530 19212.38  720.725  142.168   2.6036  140.660   2.6396 1.507538 3.707591 
1 1 1   -7    2   12 o  235.553   1.8793 53883.14  859.298 54084.08  1215.24 53682.21  1215.22  235.993   2.6528  235.114   2.6626 0.8788910 3.758561 
1 1 1   -7    2   13 o  242.338   1.6674 56866.83  743.481 57524.25  1277.46 56530.09  914.276  243.377   2.7040  241.299   1.9519 2.078247 3.334879 
1 1 1   -7    2   14 f  228.077   1.3623 50499.76  603.074 50025.91  845.539 50990.43  860.407  226.988   1.9190  229.165   1.9341 -2.177109 2.724580 
1 1 1   -7    2   15 o  177.137   1.2743 30463.84  438.139 30863.40  621.899 30070.08  617.372  178.290   1.7969  175.984   1.8072 2.306686 2.548508 
1 1 1   -7    2   16 o   95.305   1.0145  8815.48  187.632  8946.97  268.994  8690.87  261.853   95.997   1.4435   94.613   1.4257 1.383568 2.028909 
1 1 1   -7    2   17 o   99.049   1.0420  9528.79  200.271  9624.53  280.061  9428.61  286.501   99.559   1.4491   98.539   1.4978 1.019958 2.084082 
1 1 1   -7    2   18 o   37.182   0.9546  1341.73   68.879  1308.65   96.183  1376.56   98.684   36.711   1.3497   37.652   1.3502 -0.9404182 1.909109 
1 1 1   -7    2   19 o  121.074   1.1836 14234.91  278.137 13975.13  389.473 14505.29  397.336  119.947   1.6727  122.201   1.6750 -2.253830 2.367208 
1 1 1   -7    2   20 o   99.802   1.0712  9674.24  207.495  9829.98  296.083  9523.93  290.871  100.591   1.5163   99.012   1.5134 1.578102 2.142318 
1 1 1   -7    2   21 o   98.401   1.1077  9411.45  211.264  9358.44  306.779  9459.26  291.361   98.134   1.6104   98.668   1.5212 -0.5336075 2.215301 
1 1 1   -7    2   22 o   68.752   0.9659  4590.48  128.861  4654.99  185.439  4530.24  179.194   69.218   1.3801   68.286   1.3519 0.9323654 1.931900 
1 1 1   -7    2   23 o   86.767   1.0520  7317.40  177.185  7277.01  251.281  7357.35  249.879   86.528   1.4960   87.006   1.4795 -0.4776917 2.104048 
1 1 1   -7    2   24 o   17.609   2.1235  314.090   69.000  410.947   98.162  219.496   97.009   20.533   2.4628   14.685   3.4599 5.847719 4.246976 
1 1 1   -7    2   25 o   31.504   1.3302  965.261   81.231  894.640  113.044  1040.66  116.806   30.312   1.9212   32.697   1.8403 -2.384554 2.660402 
1 1 1   -7    2   26 o  127.426   1.3705 15819.49  339.003 15707.98  478.746 15931.64  480.101  126.975   1.9423  127.878   1.9341 -0.9028320 2.741031 
1 1 1   -7    2   27 o   41.018   1.2103  1635.08   96.070  1824.54  139.151  1462.53  132.798   43.288   1.6560   38.748   1.7656 4.540028 2.420639 
1 1 1   -7    2   28 o   37.773   1.2818  1392.58   93.918  1337.38  133.107  1447.31  132.536   37.023   1.8521   38.523   1.7724 -1.500076 2.563503 
1 1 1   -7    2   29 o   61.999   1.1342  3749.12  136.360  3811.43  198.090  3693.01  187.990   62.482   1.6332   61.517   1.5743 0.9655724 2.268410 
1 1 1   -7    2   30 o   31.073   1.5120  955.868   90.621  858.561  130.623  1046.16  125.825   29.510   2.2802   32.636   1.9861 -3.125977 3.023917 
1 1 1   -7    2   31 o   41.032   1.3039  1655.87  103.447  1672.02  153.575  1642.45  139.963   41.191   1.9207   40.873   1.7640 0.3175468 2.607853 
1 1 1   -7    2   32 o   11.260   2.8938  100.524   90.450 -10.9730  131.178  201.580  124.885   8.9186   3.9212   13.601   4.2568 -4.682454 5.787582 
1 1 1   -7    2   33 o   22.928   2.2923  554.136   96.151  739.607  141.038  393.081  131.427   26.903   2.7007   18.954   3.7048 7.948370 4.584689 
1 1 1   -7    2   34 o   20.494   2.7284  473.139  104.365  468.575  152.187  477.191  143.393   20.290   4.0061   20.697   3.7051 -0.4067612 5.456808 
1 1 1   -7    2   35 o   18.078   3.0919  405.673  108.689  325.714  156.392  480.372  151.161   15.957   4.7190   20.200   3.9965 -4.243703 6.183894 
1 1 1   -7    3    1 o  186.437   1.1639 33752.30  421.239 33863.02  595.993 33641.77  595.452  186.742   1.6441  186.131   1.6480 0.6112823 2.327895 
1 1 1   -7    3    2 o  114.181   0.8408 12653.75  186.326 12446.21  260.944 12869.64  266.143  113.226   1.1872  115.136   1.1908 -1.909836 1.681517 
1 1 1   -7    3    3 o  223.699   1.3869 48644.31  597.797 48239.24  900.080 48964.02  799.631  222.856   2.0806  224.542   1.8345 -1.686218 2.773898 
1 1 1   -7    3    4 o  209.153   1.2565 42478.77  510.138 42272.70  719.896 42686.63  723.004  208.644   1.7775  209.663   1.7765 -1.019073 2.512994 
1 1 1   -7    3    5 o   64.155   0.5285  3994.43   65.808  3952.54   92.228  4037.87   93.930   63.812   0.7446   64.497   0.7502 -0.6851463 1.056981 
1 1 1   -7    3    6 o   64.412   0.5499  4026.19   68.747  3962.53   96.250  4092.50   98.227   63.892   0.7760   64.932   0.7793 -1.039402 1.099799 
1 1 1   -7    3    7 o   46.512   0.6044  2097.64   54.495  2141.71   79.481  2058.56   74.860   46.972   0.8717   46.052   0.8374 0.9206772 1.208754 
1 1 1   -7    3    8 o  162.424   1.3376 25602.37  421.648 25093.72  588.533 26138.78  604.384  160.767   1.8859  164.080   1.8975 -3.313202 2.675279 
1 1 1   -7    3    9 o  474.082   2.0553 218276.59  1891.44 218693.50  2677.24 217861.30  2672.56  474.534   2.9064  473.630   2.9069 0.9037781 4.110598 
1 1 1   -7    3   10 o  125.174   1.8424 15213.91  447.681 15267.02  634.982 15161.41  631.266  125.391   2.6087  124.957   2.6025 0.4343491 3.684888 
1 1 1   -7    3   11 o   88.987   1.9185  7689.03  331.384  7613.52  465.952  7766.31  471.392   88.545   2.7109   89.429   2.7154 -0.8839569 3.836971 
1 1 1   -7    3   12 o  181.685   1.5566 31987.34  506.119 32214.28  916.002 31887.61  607.226  182.135   2.5908  181.235   1.7260 0.8995361 3.113112 
1 1 1   -7    3   13 o  152.289   1.6148 22516.06  445.918 22528.83  786.515 22510.01  541.328  152.310   2.6602  152.269   1.8314 0.4069519E-01 3.229660 
1 1 1   -7    3   14 o  119.062   1.6037 13714.19  311.368 13860.70  652.696 13671.03  354.279  119.456   2.8147  118.668   1.5380 0.7884598 3.207494 
1 1 1   -7    3   15 o  236.361   1.4091 54238.51  646.451 53563.61  907.105 54935.01  921.506  234.867   1.9896  237.854   1.9958 -2.987320 2.818139 
1 1 1   -7    3   16 o   72.042   0.9277  5037.17  129.667  4804.83  181.739  5278.06  185.059   70.351   1.3308   73.734   1.2929 -3.383621 1.855462 
1 1 1   -7    3   17 o  258.466   1.4758 64895.50  740.437 64603.54  1041.71 65193.61  1052.65  257.879   2.0810  259.052   2.0933 -1.173676 2.951664 
1 1 1   -7    3   18 o  156.831   1.2894 23891.82  392.546 23772.53  555.559 24010.77  554.729  156.440   1.8294  157.223   1.8176 -0.7827301 2.578869 
1 1 1   -7    3   19 o  120.566   1.1779 14117.50  275.637 13996.90  385.671 14243.41  394.085  120.040   1.6551  121.092   1.6765 -1.051208 2.355862 
1 1 1   -7    3   20 o  105.246   1.1309 10761.06  231.041 10862.78  328.855 10661.91  324.667  105.737   1.6022  104.755   1.5966 0.9818039 2.261891 
1 1 1   -7    3   21 f   81.694   1.0131  6482.67  160.598  6233.68  225.499  6738.95  228.776   80.101   1.4502   83.286   1.4151 -3.185013 2.026220 
1 1 1   -7    3   22 o   67.291   0.9699  4394.36  126.622  4553.33  182.904  4248.06  175.468   68.458   1.3764   66.124   1.3670 2.334198 1.939886 
1 1 1   -7    3   23 o   98.885   1.1402  9502.54  218.822  9292.55  306.106  9722.01  312.929   97.768   1.6129  100.002   1.6120 -2.233749 2.280371 
1 1 1   -7    3   24 o   47.388   0.9959  2182.72   91.610  2171.47  129.970  2193.82  129.145   47.266   1.4165   47.509   1.4003 -0.2433853 1.991864 
1 1 1   -7    3   25 o   65.037   1.0042  4109.62  126.719  4212.25  182.576  4014.22  176.020   65.819   1.4290   64.255   1.4112 1.564400 2.008359 
1 1 1   -7    3   26 o   38.382   1.2747  1438.23   94.706  1546.58  133.007  1326.80  134.880   39.858   1.7191   36.906   1.8827 2.951595 2.549481 
1 1 1   -7    3   27 o   13.382   2.8503  179.282   80.302  162.238  118.257  193.866  109.389   12.940   4.1535   13.824   3.9045 -0.8837118 5.700626 
1 1 1   -7    3   28 o   45.881   1.1485  2051.65  102.243  2046.19  146.770  2056.80  142.510   45.819   1.6502   45.943   1.5979 -0.1246948 2.297062 
1 1 1   -7    3   29 o   96.489   1.3281  9100.89  248.633  9292.25  358.520  8923.58  345.104   97.459   1.8951   95.520   1.8612 1.939575 2.656189 
1 1 1   -7    3   30 o   33.589   1.4771  1100.53   95.724  1190.22  145.405  1031.93  127.169   34.773   2.1541   32.406   2.0216 2.367863 2.954159 
1 1 1   -7    3   31 o   15.885   2.8318  271.007   87.125  268.931  128.484  272.774  118.543   15.798   4.1398   15.972   3.8652 -0.1740494 5.663694 
1 1 1   -7    3   32 o   14.978   2.9524  244.863   88.657  284.377  134.775  214.722  117.711   15.970   4.2665   13.986   4.0821 1.983880 5.904795 
1 1 1   -7    3   33 o   32.015   1.6125  1031.38  100.093  1103.55  143.961  963.843  139.262   33.119   2.2392   30.911   2.3209 2.207720 3.224991 
1 1 1   -7    3   34 f   40.519   1.4630  1657.17  114.977  1638.39  165.315  1674.77  160.018   40.261   2.1152   40.776   2.0216 -0.5147247 2.925934 
1 1 1   -7    3   35 o   14.196   3.1120  238.837  105.840  389.131  151.076   93.970  148.323   17.769   4.4026   10.623   4.3996 7.145243 6.224095 
1 1 1   -7    4    1 o  251.993   1.6424 61741.08  795.404 62057.86  1054.67 61323.25  1211.27  252.760   2.1495  251.226   2.4838 1.533875 3.284736 
1 1 1   -7    4    2 o  266.900   1.6506 69316.30  850.056 68145.59  1268.03 70271.84  1145.59  264.835   2.4665  268.964   2.1942 -4.129059 3.301247 
1 1 1   -7    4    3 o   65.074   0.5391  4110.42   68.096  4116.64   96.296  4104.21   96.307   65.123   0.7617   65.024   0.7630 0.9841156E-01 1.078152 
1 1 1   -7    4    4 o  228.682   1.2903 50779.69  572.769 50347.98  805.975 51220.16  814.122  227.701   1.8234  229.664   1.8261 -1.963608 2.580635 
1 1 1   -7    4    5 o   40.025   0.3783  1554.59   29.390  1573.83   41.985  1536.10   41.155   40.267   0.5371   39.782   0.5329 0.4856567 0.7566556 
1 1 1   -7    4    6 o   78.976   0.7500  6057.06  110.401  6046.31  183.838  6063.12  138.070   78.919   1.2000   79.032   0.9000 -0.1131363 1.499994 
1 1 1   -7    4    7 o  153.605   1.2498 22908.24  372.647 23059.02  528.110 22758.73  525.901  154.109   1.7654  153.102   1.7695 1.006882 2.499543 
1 1 1   -7    4    8 o   90.348   0.9614  7923.96  168.615  7942.91  238.477  7905.02  238.436   90.456   1.3581   90.240   1.3612 0.2160568 1.922833 
1 1 1   -7    4    9 o  163.068   1.7814 25819.40  563.810 25271.85  794.390 26375.19  800.338  161.325   2.5367  164.810   2.5016 -3.485046 3.562722 
1 1 1   -7    4   10 o  329.378   1.9000 105330.50  1214.73 106532.40  1732.22 104167.70  1703.90  331.226   2.6941  327.530   2.6800 3.695923 3.800050 
1 1 1   -7    4   11 o  320.917   1.9176 99963.13  1194.23 98155.93  1664.44 101880.50  1714.45  317.930   2.6969  323.904   2.7267 -5.974060 3.835184 
1 1 1   -7    4   12 o  116.164   1.4899 12747.54  280.181 13746.82  602.721 12472.07  316.451  118.978   2.6097  113.349   1.4382 5.629684 2.979726 
1 1 1   -7    4   13 o  143.450   1.5350 19858.32  379.035 20244.19  734.401 19718.22  442.529  144.381   2.6203  142.518   1.5996 1.862900 3.069988 
1 1 1   -7    4   14 o  164.501   1.6456 26496.67  476.809 25756.73  879.194 26804.98  567.516  162.842   2.7813  166.160   1.7595 -3.317459 3.291140 
1 1 1   -7    4   15 o  104.586   1.0716 10619.76  217.493 10294.18  306.611 10949.50  308.561  102.972   1.5339  106.200   1.4968 -3.227669 2.143175 
1 1 1   -7    4   16 o  225.604   1.3906 49427.51  608.976 49657.54  861.983 49198.29  860.464  226.128   1.9637  225.080   1.9694 1.048447 2.781126 
1 1 1   -7    4   17 o   73.198   1.9977  5209.19  283.780  5208.96  406.040  5209.42  396.772   73.195   2.8577   73.201   2.7923 -0.6088257E-02 3.995422 
1 1 1   -7    4   18 o  104.504   1.1018 10607.06  223.494 10696.04  314.529 10516.31  317.631  104.947   1.5439  104.061   1.5724 0.8865433 2.203682 
1 1 1   -7    4   19 o  120.562   1.1978 14119.67  280.321 14095.76  397.644 14143.28  395.234  120.460   1.7005  120.664   1.6874 -0.2036514 2.395635 
1 1 1   -7    4   20 o   39.556   0.9441  1521.74   72.221  1495.52  106.379  1544.15   98.363   39.238   1.3966   39.873   1.2708 -0.6356316 1.888282 
1 1 1   -7    4   21 o   37.594   1.0202  1376.23   74.266  1281.94  105.943  1467.34  104.136   36.323   1.5025   38.864   1.3803 -2.541191 2.040330 
1 1 1   -7    4   22 o   56.893   0.9494  3145.38  104.833  3092.82  148.841  3197.13  147.680   56.421   1.3590   57.365   1.3262 -0.9449005 1.898854 
1 1 1   -7    4   23 o  116.098   1.2732 13109.04  286.631 13112.00  396.358 13105.79  415.000  116.117   1.7584  116.079   1.8417 0.3839111E-01 2.546392 
1 1 1   -7    4   24 o   64.351   0.9815  4024.42  122.516  3826.12  172.041  4228.45  174.512   62.741   1.4126   65.961   1.3629 -3.219471 1.962907 
1 1 1   -7    4   25 o   61.651   1.0478  3695.56  125.384  3628.80  176.086  3764.22  178.580   61.086   1.4850   62.216   1.4787 -1.129807 2.095608 
1 1 1   -7    4   26 o   58.328   1.0556  3308.28  119.487  3371.28  171.473  3248.81  166.593   58.867   1.5006   57.789   1.4851 1.077721 2.111198 
1 1 1   -7    4   27 o   45.193   1.1431  1991.22  100.036  1944.28  145.625  2033.16  137.654   44.682   1.6789   45.703   1.5516 -1.021027 2.286106 
1 1 1   -7    4   28 o   38.033   1.2773  1409.54   94.235  1454.88  136.401  1368.14  130.343   38.616   1.8196   37.450   1.7929 1.166088 2.554539 
1 1 1   -7    4   29 f   47.851   1.1783  2230.75  109.123  2302.63  161.700  2170.64  147.873   48.548   1.7158   47.153   1.6155 1.394527 2.356683 
1 1 1   -7    4   30 o   22.840   1.9745  514.765   87.113  555.114  131.339  483.072  116.401   23.620   2.8645   22.061   2.7181 1.558908 3.948906 
1 1 1   -7    4   31 o   49.248   1.1752  2375.68  112.186  2493.66  164.136  2272.25  153.689   50.387   1.6781   48.109   1.6457 2.277985 2.350424 
1 1 1   -7    4   32 o   19.377   2.4594  399.475   89.477  371.227  133.559  422.478  120.522   18.462   3.8514   20.293   3.0595 -1.831467 4.918756 
1 1 1   -7    4   33 o   28.969   1.8064  853.764  101.522  847.296  145.713  859.866  141.526   28.837   2.6031   29.101   2.5054 -0.2640438 3.612881 
1 1 1   -7    4   34 o   15.700   3.1756  293.521  103.354  356.494  147.338  232.514  145.020   17.376   4.3719   14.025   4.6069 3.350142 6.351140 
1 1 1   -7    4   35 o   9.7229   2.9499   49.436  100.254   25.104  144.833   71.821  138.915   9.3952   4.1257   10.051   4.2174 -0.6553516 5.899840 
1 1 1   -7    5    1 o  218.785   1.2692 46482.47  539.014 46222.93  759.382 46746.01  765.212  218.170   1.7931  219.401   1.7967 -1.230743 2.538371 
1 1 1   -7    5    2 o  135.745   0.9695 17890.37  255.457 17874.16  360.793 17906.66  361.750  135.684   1.3698  135.807   1.3722 -0.1232147 1.938913 
1 1 1   -7    5    3 o   58.314   0.5053  3300.71   57.201  3296.39   80.714  3305.07   81.076   58.275   0.7135   58.352   0.7158 -0.7672501E-01 1.010654 
1 1 1   -7    5    4 o  171.985   1.1091 28718.88  370.283 28908.69  524.812 28530.72  522.514  172.551   1.5668  171.419   1.5703 1.131882 2.218260 
1 1 1   -7    5    5 o  134.288   0.9381 17507.24  244.529 17508.69  345.872 17505.80  345.760  134.293   1.3268  134.282   1.3265 0.1107788E-01 1.876113 
1 1 1   -7    5    6 o  128.798   1.0199 16102.76  249.105 16118.34  397.324 16092.66  319.754  128.845   1.5886  128.750   1.2794 0.9484863E-01 2.039722 
1 1 1   -7    5    7 o  181.067   1.3615 31828.79  478.497 32335.88  681.026 31334.39  672.449  182.491   1.9225  179.642   1.9283 2.848434 2.722936 
1 1 1   -7    5    8 o  288.223   1.7274 80670.44  958.990 80678.30  1279.25 80660.37  1448.98  288.248   2.2863  288.198   2.5900 0.4977417E-01 3.454749 
1 1 1   -7    5    9 o  333.316   1.8920 107874.10  1224.10 106918.00  1719.60 108856.30  1742.90  331.819   2.6697  334.812   2.6817 -2.993378 3.783995 
1 1 1   -7    5   10 o  125.642   1.8143 15324.73  442.444 15082.58  620.509 15575.18  631.046  124.632   2.5648  126.651   2.5668 -2.018860 3.628567 
1 1 1   -7    5   11 o   61.712   1.5520  3724.37  115.907  3663.39  349.492  3731.91  122.861   61.417   2.9314   62.006   1.0207 -0.5882454 3.104062 
1 1 1   -7    5   12 o  209.071   1.6147 42246.46  612.030 42988.83  1084.38 41899.43  741.407  210.397   2.6551  207.744   1.8385 2.653152 3.229466 
1 1 1   -7    5   13 o  285.717   1.7134 79594.41  911.297 78123.13  1515.20 80428.23  1140.66  283.619   2.7521  287.814   2.0416 -4.194489 3.426733 
1 1 1   -7    5   14 o  271.765   1.7237 71409.84  864.520 72734.59  1478.41 70721.45  1065.73  273.649   2.7831  269.881   2.0343 3.767548 3.447330 
1 1 1   -7    5   15 o   58.653   0.8455  3334.24   96.160  3448.27  140.039  3232.51  132.273   59.600   1.2104   57.705   1.1808 1.894516 1.691010 
1 1 1   -7    5   16 o  270.882   1.4744 71262.83  775.279 71576.05  1100.05 70953.72  1092.81  271.473   2.0875  270.291   2.0828 1.182373 2.948822 
1 1 1   -7    5   17 o  147.046   1.2824 21000.56  366.029 21196.55  519.693 20807.63  515.618  147.727   1.8123  146.365   1.8148 1.361710 2.564709 
1 1 1   -7    5   18 o   80.592   0.9735  6305.51  152.277  6182.99  213.667  6431.97  217.079   79.797   1.3794   81.387   1.3740 -1.590935 1.946962 
1 1 1   -7    5   19 o  173.245   1.3234 29161.78  445.054 29031.37  629.496 29292.11  629.307  172.857   1.8760  173.633   1.8671 -0.7753601 2.646797 
1 1 1   -7    5   20 o   98.351   1.0967  9396.34  209.338  9158.94  294.207  9639.78  297.925   97.093   1.5610   99.610   1.5408 -2.517357 2.193330 
1 1 1   -7    5   21 o  111.310   1.1576 12024.10  249.949 12522.57  361.790 11568.93  345.721  113.513   1.6419  109.106   1.6323 4.406990 2.315237 
1 1 1   -7    5   22 o   54.273   0.9377  2859.73   98.734  2921.10  142.432  2802.97  136.989   54.832   1.3382   53.713   1.3138 1.119225 1.875317 
1 1 1   -7    5   23 o  107.823   1.2038 11301.25  251.807 11390.06  363.315 11219.16  349.316  108.227   1.7293  107.418   1.6752 0.8088303 2.407699 
1 1 1   -7    5   24 o   77.619   1.0934  5858.81  164.713  5766.76  234.068  5949.10  231.827   77.013   1.5657   78.225   1.5267 -1.211510 2.186850 
1 1 1   -7    5   25 o   66.093   1.0135  4242.20  129.877  4355.87  189.180  4140.87  178.622   66.928   1.4561   65.259   1.4100 1.668777 2.026953 
1 1 1   -7    5   26 o   24.132   1.7878  564.907   82.974  598.768  127.724  540.181  109.142   24.745   2.6590   23.520   2.3905 1.224913 3.575602 
1 1 1   -7    5   27 o   26.540   1.6421  684.619   84.265  776.488  123.644  604.942  115.147   28.198   2.2588   24.881   2.3841 3.317656 3.284241 
1 1 1   -7    5   28 o   36.639   1.3007  1308.02   92.271  1336.12  136.060  1284.09  125.553   36.996   1.8945   36.281   1.7827 0.7156105 2.601429 
1 1 1   -7    5   29 o   27.254   1.6603  731.633   87.532  705.516  127.825  754.694  120.113   26.778   2.4590   27.729   2.2314 -0.9506302 3.320578 
1 1 1   -7    5   30 o   40.562   1.2648  1610.03   99.459  1662.57  145.245  1563.65  136.476   41.178   1.8171   39.946   1.7600 1.231216 2.529698 
1 1 1   -7    5   31 o   16.865   2.7288  303.325   87.457  336.147  126.747  273.495  120.831   17.768   3.7904   15.962   3.9267 1.805933 5.457654 
1 1 1   -7    5   32 o   23.289   2.1629  546.748   92.200  772.560  142.117  382.631  121.158   27.624   2.6503   18.953   3.4189 8.670702 4.325827 
1 1 1   -7    5   33 o   52.829   1.2702  2768.76  130.133  2896.68  189.057  2653.59  179.394   53.981   1.8042   51.677   1.7883 2.303875 2.540334 
1 1 1   -7    5   34 o   13.539   2.9635  160.736  103.304  400.295  157.296 -20.9568  136.987   18.368   4.4569   8.7100   3.9072 9.658170 5.927018 
1 1 1   -7    5   35 o   12.458   3.2126  182.223  101.810  222.671  146.248  144.189  141.816   13.382   4.6267   11.534   4.4582 1.848160 6.425149 
1 1 1   -7    6    1 o   31.173   0.3367  941.833   20.354  975.190   29.551  911.724   28.076   31.697   0.4803   30.648   0.4719 1.048771 0.6733266 
1 1 1   -7    6    2 o  210.938   1.3484 43228.07  547.458 43074.82  829.305 43346.43  728.834  210.598   2.0286  211.277   1.7771 -0.6787109 2.696897 
1 1 1   -7    6    3 o  130.701   0.9224 16580.89  233.993 16874.04  333.768 16297.55  328.138  131.837   1.3042  129.565   1.3047 2.271622 1.844750 
1 1 1   -7    6    4 o   96.634   0.8978  9062.63  158.525  9056.86  193.817  9074.29  275.532   96.591   1.0337   96.677   1.4682 -0.8528137E-01 1.795585 
1 1 1   -7    6    5 o  102.039   0.7870 10097.65  155.814  9790.00  216.219 10430.03  224.735  100.423   1.1092  103.654   1.1169 -3.230553 1.574080 
1 1 1   -7    6    6 o  118.364   0.9840 13563.71  220.134 13764.81  355.580 13438.73  280.310  119.070   1.5384  117.657   1.2273 1.412270 1.967988 
1 1 1   -7    6    7 o  224.084   1.6442 48881.50  705.226 49495.97  926.554 48035.32  1087.30  225.773   2.1141  222.396   2.5186 3.376907 3.288302 
1 1 1   -7    6    8 o  230.422   1.4842 51542.78  663.822 52313.75  945.617 50793.69  932.102  232.121   2.0986  228.723   2.0994 3.397217 2.968430 
1 1 1   -7    6    9 o  223.295   1.8108 48414.66  784.885 48039.31  1108.18 48792.48  1111.82  222.426   2.5666  224.163   2.5551 -1.737244 3.621586 
1 1 1   -7    6   10 o  294.520   1.8808 84216.14  1075.15 83546.19  1505.50 84913.46  1535.94  293.325   2.6440  295.714   2.6757 -2.388885 3.761683 
1 1 1   -7    6   11 o  460.653   1.8942 206064.00  1658.99 206084.20  2625.82 206050.59  2140.26  460.647   2.9365  460.658   2.3934 -0.1095581E-01 3.788356 
1 1 1   -7    6   12 o  100.248   1.5030  9618.45  236.145  9994.05  526.477  9523.85  264.214  101.445   2.6735   99.050   1.3742 2.394646 3.005992 
1 1 1   -7    6   13 o  469.440   1.9500 213372.50  1729.52 216872.59  2797.65 211207.41  2200.35  472.513   3.0501  466.367   2.4305 6.145233 3.900073 
1 1 1   -7    6   14 o  263.952   1.7114 67541.02  833.534 68036.77  1422.06 67281.54  1028.79  264.667   2.7679  263.238   2.0133 1.428772 3.422702 
1 1 1   -7    6   15 o  108.134   1.7299 11623.76  292.609 10908.84  637.428 11814.63  329.362  105.953   3.0992  110.314   1.5381 -4.360161 3.459882 
1 1 1   -7    6   16 o   95.921   1.0303  8934.14  191.795  8729.19  271.198  9139.21  271.280   94.820   1.4734   97.022   1.4404 -2.202011 2.060507 
1 1 1   -7    6   17 o   58.142   0.8471  3288.56   95.409  3143.53  137.397  3423.61  132.588   56.901   1.2439   59.383   1.1502 -2.482193 1.694210 
1 1 1   -7    6   18 o  111.715   1.1224 12121.46  243.377 12022.26  345.872 12218.75  342.527  111.261   1.6014  112.168   1.5731 -0.9067154 2.244828 
1 1 1   -7    6   19 o  140.437   1.3654 19160.86  370.404 19125.28  499.574 19204.29  552.002  140.301   1.8343  140.574   2.0229 -0.2736511 2.730706 
1 1 1   -7    6   20 o   84.411   1.0068  6906.63  164.733  7186.36  241.131  6661.83  225.581   86.010   1.4442   82.813   1.4033 3.196350 2.013695 
1 1 1   -7    6   21 o  107.232   1.1428 11175.54  237.855 11125.13  338.857 11224.50  333.952  106.993   1.6315  107.472   1.6007 -0.4793854 2.285674 
1 1 1   -7    6   22 o   60.996   0.9464  3618.05  111.956  3501.45  159.978  3729.96  156.732   60.030   1.3729   61.961   1.3031 -1.931236 1.892814 
1 1 1   -7    6   23 o   91.496   1.1073  8137.43  196.648  7989.98  276.997  8287.25  279.221   90.660   1.5740   92.332   1.5579 -1.672546 2.214569 
1 1 1   -7    6   24 o   72.897   1.0336  5164.37  146.204  5208.65  210.194  5122.87  203.496   73.198   1.4793   72.595   1.4440 0.6024933 2.067267 
1 1 1   -7    6   25 o   45.955   1.0563  2057.20   94.071  1978.49  135.313  2130.83  130.871   45.100   1.5456   46.811   1.4402 -1.710873 2.112610 
1 1 1   -7    6   26 o   14.688   2.4304  190.697   76.962  386.112  119.956   53.981  100.335   19.841   3.1146   9.5342   3.7319 10.30664 4.860857 
1 1 1   -7    6   27 f   35.899   1.3051  1251.93   90.793  1349.54  132.624  1165.84  124.558   37.212   1.8360   34.586   1.8553 2.626785 2.610154 
1 1 1   -7    6   28 o   19.957   2.3187  394.166   87.189  472.103  130.890  332.000  116.900   21.885   3.0810   18.030   3.4660 3.855204 4.637463 
1 1 1   -7    6   29 o   21.575   2.1374  460.076   89.394  492.245  130.144  431.342  123.003   22.290   3.0078   20.861   3.0375 1.428610 4.274739 
1 1 1   -7    6   30 o   23.114   2.0494  532.674   91.463  464.974  127.830  603.689  130.922   21.575   3.0522   24.652   2.7358 -3.077236 4.098866 
1 1 1   -7    6   31 o   15.276   2.9655  247.403   91.099  309.033  136.483  197.882  122.342   16.887   4.1848   13.666   4.2028 3.220674 5.930970 
1 1 1   -7    6   32 o   31.367   1.6408  990.107   98.464  965.069  151.459  1008.43  129.583   30.930   2.5226   31.803   2.0990 -0.8730354 3.281676 
1 1 1   -7    6   33 o   35.743   1.5238  1282.99  105.631  1292.44  152.846  1274.35  146.148   35.845   2.1966   35.640   2.1124 0.2046776 3.047559 
1 1 1   -7    6   34 o   15.435   3.1801  286.566  102.250  242.359  148.421  326.499  141.066   14.249   4.6596   16.622   4.3291 -2.372558 6.360253 
1 1 1   -7    6   35 o   34.830   1.6676  1259.33  112.485  1182.98  160.514  1333.00  157.679   33.700   2.4537   35.961   2.2588 -2.260696 3.335109 
1 1 1   -7    7    1 o  130.113   0.9579 16426.87  240.592 16520.39  360.199 16351.54  323.284  130.445   1.4225  129.780   1.2832 0.6646576 1.915780 
1 1 1   -7    7    2 o  130.399   0.9269 16507.34  234.628 16658.98  332.975 16357.79  330.665  130.994   1.3095  129.804   1.3123 1.189651 1.853873 
1 1 1   -7    7    3 o  305.376   1.8044 90597.60  1069.62 90591.74  1508.76 90603.52  1516.60  305.367   2.5453  305.385   2.5583 -0.1837158E-01 3.608809 
1 1 1   -7    7    4 o  165.715   1.0965 26661.68  352.727 26488.00  496.593 26838.54  501.099  165.170   1.5488  166.260   1.5526 -1.089188 2.193074 
1 1 1   -7    7    5 o  265.541   1.5508 68474.20  799.297 67759.07  1120.72 69214.52  1140.28  264.131   2.1858  266.951   2.2005 -2.820435 3.101594 
1 1 1   -7    7    6 o  146.710   1.1193 20842.85  312.486 21167.93  495.126 20627.65  402.853  147.654   1.7275  145.766   1.4237 1.888275 2.238544 
1 1 1   -7    7    7 o  176.190   1.3507 30141.07  461.931 30332.39  651.789 29948.00  654.759  176.752   1.8997  175.628   1.9205 1.124176 2.701338 
1 1 1   -7    7    8 o  217.297   1.4967 45843.04  631.292 46226.93  895.763 45464.22  889.831  218.201   2.1148  216.393   2.1184 1.807678 2.993306 
1 1 1   -7    7    9 o  361.901   1.9311 127177.10  1356.63 128110.60  1925.23 126256.40  1911.96  363.220   2.7305  360.582   2.7315 2.638123 3.862272 
1 1 1   -7    7   10 o  248.425   1.6133 59799.66  738.638 60302.21  1263.88 59538.97  910.268  249.203   2.6127  247.647   1.8935 1.556152 3.226698 
1 1 1   -7    7   11 o  136.644   1.5881 18217.19  390.117 17895.19  695.922 18364.75  471.098  135.749   2.6409  137.539   1.7645 -1.789200 3.176158 
1 1 1   -7    7   12 o  167.348   1.5762 27138.33  467.333 27324.21  860.858 27060.65  556.470  167.740   2.6438  166.956   1.7170 0.7842560 3.152441 
1 1 1   -7    7   13 o  165.600   1.6029 26473.07  468.925 27004.35  870.843 26256.11  556.493  166.748   2.6904  164.452   1.7432 2.296066 3.205773 
1 1 1   -7    7   14 o  139.983   1.6032 18847.27  380.726 19399.57  756.352 18659.83  440.620  141.327   2.7570  138.638   1.6373 2.689117 3.206483 
1 1 1   -7    7   15 o  125.919   1.7203 15793.71  347.856 14702.40  729.482 16114.90  395.749  123.004   3.0551  128.833   1.5824 -5.828903 3.440628 
1 1 1   -7    7   16 o   90.087   0.9912  7863.46  173.117  8184.70  252.824  7579.88  237.539   91.815   1.4185   88.358   1.3849 3.456841 1.982472 
1 1 1   -7    7   17 o   20.979   1.3459  429.477   53.728  417.310   84.190  437.837   69.786   20.725   2.0927   21.232   1.6932 -0.5072689 2.691869 
1 1 1   -7    7   18 o  171.595   1.3409 28597.58  446.582 28252.63  625.792 28955.54  637.496  170.541   1.8903  172.648   1.9022 -2.107513 2.681714 
1 1 1   -7    7   19 o  135.749   1.2774 17904.55  336.610 17847.98  475.116 17961.55  476.967  135.534   1.8059  135.964   1.8072 -0.4304352 2.554803 
1 1 1   -7    7   20 o   19.358   1.6694  365.701   62.300  354.270   92.940  375.030   83.955   19.080   2.5094   19.637   2.2025 -0.5570641 3.338848 
1 1 1   -7    7   21 o   92.464   1.0736  8305.07  192.668  8452.63  275.347  8163.52  269.687   93.268   1.5208   91.659   1.5157 1.608620 2.147172 
1 1 1   -7    7   22 f   58.407   0.9649  3314.43  109.270  3318.74  158.501  3310.53  150.844   58.441   1.3972   58.372   1.3313 0.6929779E-01 1.929846 
1 1 1   -7    7   23 o  119.589   1.2454 13906.32  289.096 13702.50  406.045 14115.86  411.699  118.700   1.7622  120.478   1.7604 -1.777306 2.490857 
1 1 1   -7    7   24 o   26.040   1.5011  667.006   74.979  606.036  111.769  716.896  101.105   24.939   2.3087   27.141   1.9191 -2.201679 3.002174 
1 1 1   -7    7   25 o   29.531   1.4091  843.706   80.285  900.699  121.816  799.940  106.749   30.403   2.0641   28.660   1.9188 1.743345 2.818174 
1 1 1   -7    7   26 o   39.472   1.2474  1525.48   94.440  1461.42  143.449  1574.49  125.465   38.725   1.9083   40.219   1.6070 -1.493797 2.494809 
1 1 1   -7    7   27 o   74.688   1.1163  5429.48  161.493  5452.03  236.541  5409.80  221.019   74.826   1.6285   74.550   1.5273 0.2757492 2.232613 
1 1 1   -7    7   28 o   47.927   1.1311  2240.81  105.016  2209.51  152.854  2268.80  144.525   47.602   1.6542   48.251   1.5430 -0.6489296 2.262120 
1 1 1   -7    7   29 o   23.451   1.9629  541.395   89.110  600.965  130.082  488.724  122.318   24.671   2.7162   22.232   2.8343 2.439632 3.925706 
1 1 1   -7    7   30 o   38.985   1.3364  1491.77  101.122  1465.19  142.537  1518.69  143.486   38.633   1.9007   39.337   1.8791 -0.7040405 2.672710 
1 1 1   -7    7   31 o   60.138   1.1556  3552.28  134.837  3567.83  193.957  3537.74  187.579   60.254   1.6583   60.021   1.6100 0.2333260 2.311237 
1 1 1   -7    7   32 o   41.408   1.2996  1698.97  103.548  1700.72  157.119  1697.62  137.677   41.370   1.9565   41.446   1.7112 -0.7566452E-01 2.599261 
1 1 1   -7    7   33 f   21.138   2.4551  486.605   96.137  388.542  138.905  576.767  133.192   18.649   3.9593   23.626   2.9041 -4.976835 4.910244 
1 1 1   -7    7   34 o   23.773   2.2628  603.822  103.589  687.832  147.092  521.158  145.909   25.569   2.9635   21.976   3.4203 3.593328 4.525612 
1 1 1   -7    7   35 o   16.776   3.1642  354.967  107.728  267.437  153.269  440.429  151.448   14.445   4.7357   19.107   4.1979 -4.661661 6.328440 
1 1 1   -7    8    1 o  242.257   1.3112 56988.85  615.894 56955.73  850.337 57025.39  893.260  242.186   1.8087  242.328   1.8989 -0.1421967 2.622501 
1 1 1   -7    8    2 o   89.993   0.8553  7887.48  143.526  7954.17  179.926  7770.79  237.995   90.521   1.0240   89.466   1.3704 1.054947 1.710693 
1 1 1   -7    8    3 f  217.191   1.3555 45779.66  566.349 46024.44  861.613 45593.45  751.507  217.694   2.0389  216.688   1.7866 1.006668 2.710946 
1 1 1   -7    8    4 o  262.770   1.5484 67063.83  789.823 67079.45  1116.05 67048.16  1117.91  262.801   2.1877  262.740   2.1919 0.6164551E-01 3.096841 
1 1 1   -7    8    5 o  190.022   1.1824 35059.56  436.139 35148.06  616.237 34970.74  617.351  190.262   1.6685  189.781   1.6758 0.4808502 2.364771 
1 1 1   -7    8    6 o  167.002   1.2113 27085.72  387.331 27030.28  598.958 27125.56  507.799  166.851   1.8493  167.154   1.5650 -0.3023987 2.422606 
1 1 1   -7    8    7 o  296.910   1.7403 85686.68  995.985 86291.24  1334.41 84926.24  1496.56  298.103   2.3060  295.717   2.6071 2.385895 3.480579 
1 1 1   -7    8    8 o   27.031   0.5397  720.075   27.250  667.409   44.240  752.272   34.591   26.222   0.8691   27.840   0.6401 -1.617598 1.079385 
1 1 1   -7    8    9 o  228.223   1.6785 50702.54  732.461 51351.29  959.857 49798.09  1133.34  229.982   2.1500  226.463   2.5781 3.519318 3.356962 
1 1 1   -7    8   10 o  358.642   1.7698 124998.30  1208.24 124351.20  1902.93 125435.40  1563.93  357.849   2.7394  359.435   2.2415 -1.586121 3.539576 
1 1 1   -7    8   11 f  126.523   1.5174 15441.36  321.677 15743.31  649.630 15343.27  370.257  127.326   2.6284  125.720   1.5172 1.606049 3.034811 
1 1 1   -7    8   12 o  268.824   1.6717 70214.84  832.988 70028.41  1404.08 70316.09  1034.76  268.531   2.6936  269.118   1.9808 -0.5866089 3.343477 
1 1 1   -7    8   13 o  319.034   1.7520 98362.77  1036.73 100470.90  1755.16 97233.13  1284.83  321.621   2.8113  316.448   2.0916 5.173218 3.504019 
1 1 1   -7    8   14 o  222.285   1.6953 47975.52  685.608 48005.43  1201.51 47961.07  834.875  222.316   2.7841  222.255   1.9351 0.6106567E-01 3.390582 
1 1 1   -7    8   15 o  108.700   1.7624 11848.83  304.508 10832.39  644.529 12140.91  345.499  105.576   3.1449  111.824   1.5916 -6.248383 3.524762 
1 1 1   -7    8   16 o  213.672   1.5345 44257.45  626.684 44858.00  978.637 43840.00  815.918  214.884   2.3461  212.460   1.9784 2.424164 3.068917 
1 1 1   -7    8   17 o   99.073   1.1094  9534.86  213.261  9205.09  301.480  9865.15  301.713   97.357   1.5952  100.789   1.5421 -3.432083 2.218758 
1 1 1   -7    8   18 o  134.122   1.2051 17469.50  313.720 17670.19  446.936 17274.56  440.470  134.881   1.7070  133.363   1.7014 1.518204 2.410120 
1 1 1   -7    8   19 o  132.223   1.2272 16988.05  314.940 16752.00  446.748 17221.25  444.051  131.308   1.7527  133.137   1.7182 -1.829041 2.454400 
1 1 1   -7    8   20 o   72.457   0.9507  5098.93  133.656  4899.62  187.818  5303.41  190.241   71.022   1.3623   73.892   1.3263 -2.870087 1.901309 
1 1 1   -7    8   21 o   77.772   0.9908  5872.23  149.465  5972.20  216.332  5780.93  206.744   78.403   1.4214   77.140   1.3807 1.263580 1.981583 
1 1 1   -7    8   22 o   94.226   1.1158  8626.74  203.961  8199.89  285.500  9071.66  291.482   91.844   1.6014   96.608   1.5543 -4.763199 2.231633 
1 1 1   -7    8   23 o   86.563   1.0792  7280.67  181.258  7376.15  261.137  7191.89  251.793   87.109   1.5443   86.017   1.5080 1.091805 2.158460 
1 1 1   -7    8   24 o   29.718   1.3495  862.731   77.551  801.290  111.798  919.713  107.666   28.690   2.0074   30.745   1.8040 -2.055887 2.698917 
1 1 1   -7    8   25 o   50.001   1.0946  2433.76  105.550  2416.26  158.299  2447.78  141.630   49.832   1.6364   50.170   1.4543 -0.3371277 2.189266 
1 1 1   -7    8   26 o   75.513   1.1176  5540.27  163.377  5678.14  241.297  5423.57  222.007   76.373   1.6276   74.654   1.5320 1.719009 2.235172 
1 1 1   -7    8   27 o  141.097   1.5994 19474.77  436.979 18996.39  636.287 19901.80  601.170  139.418   2.3511  142.775   2.1691 -3.356918 3.198844 
1 1 1   -7    8   28 o   27.880   1.6637  761.897   90.019  743.064  127.405  780.670  127.207   27.533   2.3838   28.228   2.3215 -0.6952801 3.327437 
1 1 1   -7    8   29 o   46.561   1.2247  2116.37  110.608  2234.70  159.534  2006.84  153.487   47.815   1.7188   45.307   1.7452 2.508152 2.449458 
1 1 1   -7    8   30 o   55.640   1.1602  3026.49  125.211  3139.57  181.613  2924.04  172.860   56.626   1.6522   54.655   1.6293 1.971745 2.320434 
1 1 1   -7    8   31 o   24.050   1.9338  575.328   89.824  656.435  134.544  510.108  120.650   25.571   2.7105   22.528   2.7589 3.043020 3.867570 
1 1 1   -7    8   32 f   22.105   2.2393  527.577   89.261  417.803  137.521  607.491  117.336   19.652   3.7416   24.558   2.4613 -4.906019 4.478553 
1 1 1   -7    8   33 o   19.226   2.6483  401.660   96.231  581.546  142.925  252.486  130.153   23.601   3.1197   14.851   4.2803 8.749785 5.296538 
1 1 1   -7    8   34 o   27.134   2.0268  775.091  106.021  687.384  151.390  859.507  148.523   25.480   3.0608   28.789   2.6577 -3.308573 4.053635 
1 1 1   -7    8   35 o   24.722   2.5582  690.094  117.040  867.433  170.359  531.565  161.071   28.274   3.1039   21.170   4.0672 7.103928 5.116308 
1 1 1   -7    9    1 o   48.458   0.4327  2278.28   40.678  2251.81   56.491  2306.79   58.624   48.166   0.6042   48.750   0.6195 -0.5844078 0.8653435 
1 1 1   -7    9    2 o  208.591   1.2438 42235.89  503.474 41762.07  701.568 42739.04  722.954  207.386   1.7427  209.796   1.7752 -2.410004 2.487652 
1 1 1   -7    9    3 o  204.264   1.2239 40511.70  485.262 40198.55  682.760 40831.36  689.823  203.467   1.7287  205.062   1.7330 -1.595016 2.447732 
1 1 1   -7    9    4 o   58.176   0.4959  3277.59   55.929  3141.39   76.727  3432.00   81.697   56.889   0.6948   59.462   0.7078 -2.573185 0.9918082 
1 1 1   -7    9    5 o  187.449   1.4236 34117.38  517.980 33875.26  727.996 34365.63  737.159  186.775   2.0079  188.122   2.0186 -1.346512 2.847206 
1 1 1   -7    9    6 o  291.760   1.6137 82663.01  913.932 82854.95  1290.29 82469.73  1294.72  292.101   2.2756  291.420   2.2887 0.6806946 3.227437 
1 1 1   -7    9    7 o  152.676   1.2739 22631.34  377.504 22707.91  530.981 22553.08  536.811  152.938   1.7885  152.415   1.8144 0.5228577 2.547716 
1 1 1   -7    9    8 o  404.786   1.9700 159110.91  1547.90 160028.80  2198.66 158208.91  2179.58  405.943   2.7901  403.629   2.7818 2.314209 3.939969 
1 1 1   -7    9    9 o  176.472   1.6342 30332.25  548.365 29754.27  863.407 30723.01  709.936  175.053   2.5409  177.892   2.0559 -2.839340 3.268428 
1 1 1   -7    9   10 o  361.539   1.7767 126903.00  1222.04 127008.50  1931.16 126832.60  1578.23  361.648   2.7509  361.429   2.2495 0.2194519 3.553494 
1 1 1   -7    9   11 o  253.772   1.6510 62476.51  771.748 62710.65  1320.38 62355.02  951.131  254.116   2.6767  253.428   1.9334 0.6880035 3.301929 
1 1 1   -7    9   12 o  170.514   1.5978 28244.40  481.017 28199.54  889.492 28262.95  571.846  170.403   2.6890  170.624   1.7265 -0.2204132 3.195606 
1 1 1   -7    9   13 o  158.290   1.6077 24211.04  438.560 24591.08  847.415 24072.02  512.537  159.117   2.7436  157.464   1.6768 1.652969 3.215397 
1 1 1   -7    9   14 o  237.564   1.6937 54575.90  736.513 55499.85  1280.44 54119.04  900.372  239.038   2.7595  236.089   1.9646 2.949127 3.387400 
1 1 1   -7    9   15 o   86.303   1.6881  7326.62  205.640  7101.04  515.205  7369.37  224.280   85.480   3.1049   87.126   1.3261 -1.645554 3.376246 
1 1 1   -7    9   16 o   53.647   1.9998  2632.54  108.680  2996.13  413.578  2605.57  112.638   55.488   3.8396   51.807   1.1200 3.681641 3.999670 
1 1 1   -7    9   17 o  250.752   1.4652 61087.73  713.154 61282.67  1014.01 60896.92  1003.19  251.147   2.0799  250.357   2.0642 0.7897339 2.930370 
1 1 1   -7    9   18 o  219.881   1.4418 46973.56  615.401 46970.45  870.878 46976.67  869.738  219.873   2.0404  219.888   2.0376 -0.1487732E-01 2.883606 
1 1 1   -7    9   19 o   83.830   1.0059  6826.37  163.656  6636.08  231.066  7017.91  231.825   82.657   1.4401   85.003   1.4049 -2.346268 2.011901 
1 1 1   -7    9   20 o   68.157   0.9304  4515.66  122.943  4427.33  177.249  4597.55  170.672   67.512   1.3525   68.801   1.2779 -1.288429 1.860733 
1 1 1   -7    9   21 o  104.764   1.1531 10666.69  234.499 10554.49  331.428 10779.17  331.837  104.212   1.6384  105.316   1.6232 -1.104622 2.306271 
1 1 1   -7    9   22 o   38.903   1.0356  1461.45   77.479  1536.98  119.135  1406.10  101.995   39.765   1.5434   38.040   1.3813 1.725342 2.071204 
1 1 1   -7    9   23 o   96.808   1.1428  9112.93  214.682  9058.55  307.106  9164.90  300.223   96.523   1.6391   97.093   1.5929 -0.5696869 2.285577 
1 1 1   -7    9   24 o   76.642   1.0604  5707.96  157.625  5780.82  228.255  5641.53  217.934   77.107   1.5250   76.177   1.4738 0.9301834 2.120754 
1 1 1   -7    9   25 o   74.701   1.0910  5431.38  157.802  5381.39  231.027  5475.11  216.057   74.372   1.6002   75.029   1.4834 -0.6574173 2.182065 
1 1 1   -7    9   26 o   57.312   1.0707  3208.15  118.435  3071.60  174.982  3323.59  160.888   56.174   1.6047   58.451   1.4180 -2.277374 2.141425 
1 1 1   -7    9   27 o   30.998   1.5027  917.561   89.424  1096.89  139.168  791.451  116.705   33.520   2.1388   28.475   2.1113 5.044773 3.005373 
1 1 1   -7    9   28 o   42.734   1.2198  1793.13  100.354  1537.85  142.548  2043.98  141.304   39.682   1.8505   45.786   1.5899 -6.103317 2.439699 
1 1 1   -7    9   29 o   34.437   1.4934  1161.59   98.936  1383.61  143.877  962.440  136.268   37.578   1.9724   31.297   2.2429 6.280144 2.986839 
1 1 1   -7    9   30 o   50.170   1.2280  2466.05  119.549  2427.30  166.386  2507.40  171.884   49.767   1.7223   50.574   1.7508 -0.8063469 2.455968 
1 1 1   -7    9   31 o   54.303   1.1425  2906.01  120.016  2775.97  174.594  3022.51  165.248   53.115   1.6933   55.491   1.5341 -2.376163 2.284905 
1 1 1   -7    9   32 o   19.374   2.5058  395.026   89.671  449.582  140.771  357.773  116.324   20.434   3.6845   18.315   3.3970 2.119287 5.011510 
1 1 1   -7    9   33 o   27.125   1.8911  751.260   99.298  833.072  145.405  679.763  135.930   28.529   2.6256   25.721   2.7225 2.808424 3.782257 
1 1 1   -7    9   34 o   36.401   1.5753  1353.07  110.909  1253.59  159.065  1447.20  154.722   35.006   2.3408   37.795   2.1089 -2.788990 3.150679 
1 1 1   -7   10    1 o  137.645   0.9384 18374.73  249.771 18182.92  337.957 18605.61  370.781  136.856   1.2721  138.435   1.3798 -1.578735 1.876724 
1 1 1   -7   10    2 o  131.949   0.9330 16877.16  238.067 16622.80  321.794 17184.71  353.838  130.853   1.2669  133.044   1.3701 -2.190704 1.866021 
1 1 1   -7   10    3 o   56.781   0.4768  3129.45   52.535  3242.50   74.631  3018.41   73.964   57.798   0.6652   55.764   0.6833 2.033047 0.9535941 
1 1 1   -7   10    4 o  183.761   1.1653 32785.42  415.662 33006.27  588.997 32566.31  586.678  184.377   1.6457  183.144   1.6502 1.233109 2.330542 
1 1 1   -7   10    5 o   77.377   0.6170  5811.66   92.675  5824.34  130.651  5798.82  131.476   77.462   0.8689   77.292   0.8763 0.1699753 1.234032 
1 1 1   -7   10    6 o  198.109   1.3908 38089.95  534.695 37435.25  745.799 38782.39  766.991  196.359   1.9566  199.860   1.9770 -3.501144 2.781504 
1 1 1   -7   10    7 o  193.416   1.4102 36319.98  529.435 36260.06  745.953 36380.81  751.548  193.255   1.9885  193.577   2.0000 -0.3211823 2.820302 
1 1 1   -7   10    8 o  302.240   1.7521 88772.55  1021.86 89398.23  1374.89 88000.41  1527.37  303.438   2.3342  301.043   2.6137 2.395172 3.504234 
1 1 1   -7   10    9 o  375.517   1.7752 137301.91  1273.34 134735.41  1976.60 139122.59  1664.82  372.495   2.7336  378.539   2.2656 -6.044159 3.550446 
1 1 1   -7   10   10 o  132.034   1.5134 17010.24  340.690 16749.22  664.297 17103.39  396.856  131.333   2.6057  132.735   1.5402 -1.402237 3.026860 
1 1 1   -7   10   11 o  227.506   1.6139 50175.15  671.732 50501.77  1166.23 50013.00  821.729  228.044   2.6345  226.968   1.8651 1.075516 3.227893 
1 1 1   -7   10   12 o  123.773   1.5629 14868.83  322.302 14887.36  653.426 14862.87  370.510  123.812   2.7188  123.735   1.5426 0.7669830E-01 3.125881 
1 1 1   -7   10   13 o  248.439   1.6863 59871.30  770.688 60152.63  1322.47 59726.61  948.375  248.859   2.7376  248.019   1.9698 0.8397217 3.372620 
1 1 1   -7   10   14 o  132.047   1.6803 17193.27  373.300 16411.96  736.789 17463.09  432.989  129.977   2.9202  134.116   1.6632 -4.138336 3.360587 
1 1 1   -7   10   15 o  172.811   1.7072 29335.44  521.959 28208.66  952.460 29819.08  624.001  170.384   2.8797  175.239   1.8344 -4.854843 3.414361 
1 1 1   -7   10   16 o  174.371   1.7380 29384.55  525.521 29900.47  1005.78 29190.82  616.346  175.374   2.9544  173.368   1.8314 2.006104 3.476038 
1 1 1   -7   10   17 o   56.458   0.8464  3087.52   92.345  3169.91  138.008  3020.73  124.261   57.138   1.2443   55.779   1.1476 1.359200 1.692704 
1 1 1   -7   10   18 o  170.965   1.3625 28398.51  452.120 27896.54  639.256 28900.91  639.533  169.452   1.9434  172.479   1.9101 -3.026276 2.724959 
1 1 1   -7   10   19 o  188.452   1.4078 34515.03  514.945 34958.38  733.578 34084.34  723.020  189.644   1.9927  187.259   1.9890 2.385269 2.815513 
1 1 1   -7   10   20 o   75.459   0.9850  5531.49  143.908  5528.49  211.259  5534.08  196.568   75.438   1.4427   75.481   1.3416 -0.4281616E-01 1.970039 
1 1 1   -7   10   21 o   57.278   0.9303  3188.15  103.197  3170.09  150.978  3203.99  141.380   57.124   1.3615   57.432   1.2681 -0.3080063 1.860631 
1 1 1   -7   10   22 o   67.204   0.9668  4386.25  126.040  4449.81  182.059  4327.74  174.666   67.671   1.3859   66.738   1.3482 0.9325867 1.933552 
1 1 1   -7   10   23 o   81.055   1.0262  6385.56  161.460  6378.29  227.057  6393.00  229.642   81.009   1.4439   81.101   1.4587 -0.9219360E-01 2.052453 
1 1 1   -7   10   24 o   43.292   1.0972  1831.64   91.652  1718.62  134.616  1929.29  125.135   42.036   1.6497   44.548   1.4470 -2.512646 2.194437 
1 1 1   -7   10   25 o  122.560   1.3746 14619.82  326.861 14325.70  453.243 14938.54  471.818  121.281   1.9252  123.840   1.9627 -2.558647 2.749268 
1 1 1   -7   10   26 o   70.801   0.9030  4880.29  118.900  4895.41  148.377  4853.17  198.756   70.973   1.0770   70.629   1.4497 0.3442154 1.805955 
1 1 1   -7   10   27 o   18.067   2.0521  358.126   62.074  411.966   75.855  248.986  107.999   20.554   1.9012   15.579   3.6373 4.975196 4.104183 
1 1 1   -7   10   28 o   48.561   1.1176  2289.80  105.003  2415.30  156.402  2186.81  141.679   49.762   1.6191   47.361   1.5411 2.401291 2.235271 
1 1 1   -7   10   29 o   14.826   2.9168  230.515   87.454  200.600  128.742  256.147  119.168   14.007   4.3120   15.646   3.9292 -1.639172 5.833634 
1 1 1   -7   10   30 o   11.860   3.0433  124.652   90.952  100.346  131.577  146.893  125.865   11.334   4.3160   12.386   4.2917 -1.052724 6.086552 
1 1 1   -7   10   31 o   35.149   1.4708  1223.88  100.167  1238.79  146.575  1210.81  137.204   35.330   2.1373   34.969   2.0212 0.3604279 2.941633 
1 1 1   -7   10   32 o   12.047   2.6616   63.856   90.599  330.742  139.264 -131.9752  119.293   17.226   4.2022   6.8681   3.2678 10.35783 5.323245 
1 1 1   -7   10   33 o   9.6426   2.9089   31.930   95.316   52.481  144.871   16.243  126.570   10.200   4.2949   9.0848   3.9244 1.115646 5.817863 
1 1 1   -7   10   34 o   11.320   2.9357   97.144   99.040 -64.0887  142.312  248.572  137.917   8.2526   3.8085   14.388   4.4685 -6.135662 5.871316 
1 1 1   -7   11    1 o   54.252   0.5703  2883.74   57.601  2760.38   95.115  2955.18   72.384   53.326   0.9188   55.177   0.6758 -1.851032 1.140602 
1 1 1   -7   11    2 o  357.284   1.5979 124029.30  1089.69 124253.40  1418.09 123706.10  1702.77  357.700   2.0423  356.868   2.4580 0.8321228 3.195748 
1 1 1   -7   11    3 o  103.575   0.7638 10393.81  153.142 10161.05  207.941 10669.69  226.384  102.311   1.0470  104.840   1.1124 -2.528549 1.527626 
1 1 1   -7   11    4 o   43.515   0.4118  1836.78   34.770  1801.19   48.285  1875.12   50.109   43.078   0.5774   43.953   0.5873 -0.8751755 0.8236138 
1 1 1   -7   11    5 o  250.917   1.5496 61133.93  754.699 61041.98  1060.57 61228.24  1074.17  250.727   2.1791  251.108   2.2037 -0.3809814 3.099128 
1 1 1   -7   11    6 f  212.840   1.4651 43977.12  605.244 43590.11  847.647 44379.66  864.489  211.886   2.0609  213.795   2.0830 -1.909531 2.930218 
1 1 1   -7   11    7 o  242.883   1.5265 57276.96  719.689 57368.57  1014.09 57183.99  1021.54  243.079   2.1491  242.687   2.1684 0.3920746 3.052999 
1 1 1   -7   11    8 o  133.320   1.0527 17294.47  261.263 17110.16  435.331 17398.23  326.625  132.761   1.6892  133.879   1.2568 -1.118317 2.105474 
1 1 1   -7   11    9 o   85.631   0.9139  7128.23  151.468  6968.07  221.461  7269.01  207.624   84.725   1.3465   86.536   1.2360 -1.811066 1.827796 
1 1 1   -7   11   10 o  191.967   1.5546 35760.84  537.804 35832.15  960.000 35728.22  649.247  192.093   2.5745  191.840   1.7434 0.2531586 3.109286 
1 1 1   -7   11   11 f   50.760   1.9262  2898.04  100.873  2064.24  333.253  2982.14  105.838   46.092   3.7246   55.428   0.9837 -9.336163 3.852342 
1 1 1   -7   11   12 o  207.217   1.6252 41479.38  610.006 42290.69  1083.03 41102.41  738.244  208.677   2.6736  205.757   1.8483 2.920258 3.250336 
1 1 1   -7   11   13 o  200.001   1.6513 38838.54  597.467 38858.79  1058.42 38829.08  723.814  200.021   2.7260  199.981   1.8645 0.3915405E-01 3.302635 
1 1 1   -7   11   14 o  352.579   1.8171 120206.80  1191.39 122625.50  2004.66 118886.00  1481.40  355.272   2.9068  349.887   2.1811 5.384338 3.634109 
1 1 1   -7   11   15 o  108.894   1.8420 12075.30  305.779 10630.77  677.553 12444.76  342.659  104.574   3.3378  113.214   1.5592 -8.640556 3.683980 
1 1 1   -7   11   16 o  152.210   1.7444 22842.56  458.103 21794.14  869.473 23245.43  538.981  149.713   2.9918  154.707   1.7947 -4.994064 3.488824 
1 1 1   -7   11   17 o   46.103   2.5556  2071.78  228.445  1989.68  326.373  2150.64  319.865   45.202   3.7196   47.003   3.5057 -1.801498 5.111269 
1 1 1   -7   11   18 o  184.720   1.4038 33150.00  503.328 33370.57  717.700 32936.53  706.068  185.324   1.9950  184.116   1.9756 1.207260 2.807652 
1 1 1   -7   11   19 o   63.783   0.9318  3958.12  115.151  3806.62  165.975  4098.73  159.891   62.603   1.3658   64.964   1.2679 -2.360786 1.863585 
1 1 1   -7   11   20 o  129.745   1.2469 16361.11  314.041 16288.76  443.128 16434.11  445.121  129.457   1.7634  130.033   1.7634 -0.5762939 2.493817 
1 1 1   -7   11   21 o  126.745   1.1982 15606.54  294.337 15483.25  404.371 15745.47  429.254  126.217   1.6504  127.272   1.7375 -1.054947 2.396394 
1 1 1   -7   11   22 o   16.207   1.6691  251.956   49.458  244.706   60.117  267.142   87.000   15.860   1.9527   16.553   2.7075 -0.6933975 3.338214 
1 1 1   -7   11   23 o   46.232   0.8346  2095.60   70.797  2136.57   87.379  2017.31  120.789   46.904   0.9597   45.561   1.3657 1.342361 1.669210 
1 1 1   -7   11   24 f   81.874   0.9339  6445.42  141.088  6296.39  173.353  6737.82  242.822   80.504   1.1093   83.245   1.5027 -2.740608 1.867771 
1 1 1   -7   11   25 f   73.025   0.9151  5223.52  123.837  5320.90  154.500  5048.53  207.102   74.002   1.0755   72.049   1.4808 1.953232 1.830157 
1 1 1   -7   11   26 o   27.666   1.2605  735.800   63.475  718.196   76.901  773.432  112.435   27.170   1.4581   28.163   2.0567 -0.9925289 2.521087 
1 1 1   -7   11   27 o   40.809   1.0014  1611.75   74.220  1595.56   90.031  1646.10  131.126   40.510   1.1449   41.109   1.6432 -0.5988464 2.002714 
1 1 1   -7   11   28 o   38.041   1.0594  1441.74   73.917  1513.06   92.000  1311.86  124.154   39.427   1.2021   36.655   1.7449 2.772079 2.118840 
1 1 1   -7   11   29 o   33.871   1.1618  1077.41   71.460  1004.12   85.648  1245.30  129.635   32.085   1.3751   35.657   1.8729 -3.571388 2.323516 
1 1 1   -7   11   30 o   11.075   2.6395  120.247   65.555  134.452   78.836   88.414  118.018   11.430   3.3420   10.721   4.0863 0.7096519 5.278934 
1 1 1   -7   11   31 f   21.649   1.8083  463.356   70.947  451.708   85.718  488.693  126.423   21.343   2.0689   21.955   2.9664 -0.6120281 3.616623 
1 1 1   -7   11   32 o   34.636   1.5016  1204.05  100.333  1110.18  146.237  1287.54  137.913   33.289   2.2630   35.984   1.9744 -2.694771 3.003244 
1 1 1   -7   11   33 o   30.888   1.7317  969.222  102.829  990.497  157.256  953.331  135.911   31.088   2.6059   30.689   2.2814 0.3983765 3.463443 
1 1 1   -7   11   34 o   19.237   2.8003  409.013  102.771  578.245  159.326  288.427  134.491   22.950   3.5763   15.523   4.3101 7.427334 5.600615 
1 1 1   -7   12    1 o  178.566   1.0542 30954.44  365.396 30833.22  514.143 31078.14  519.392  178.212   1.4862  178.919   1.4955 -0.7061005 2.108370 
1 1 1   -7   12    2 o  284.826   1.4878 78761.36  809.458 78682.97  1054.39 78873.87  1263.18  284.666   1.9081  284.986   2.2834 -0.3202820 2.975677 
1 1 1   -7   12    3 o   84.417   0.7972  6979.83  124.457  7129.00  155.008  6709.21  208.785   85.699   0.9318   83.134   1.2938 2.564987 1.594371 
1 1 1   -7   12    4 o  303.609   1.5151 89496.85  878.765 89454.20  1145.24 89557.91  1370.36  303.533   1.9437  303.685   2.3246 -0.1525269 3.030124 
1 1 1   -7   12    5 o  269.862   1.5834 70713.92  829.449 71272.44  1173.79 70156.86  1172.25  270.927   2.2319  268.798   2.2466 2.129425 3.166800 
1 1 1   -7   12    6 o  160.438   1.3460 25009.86  396.286 24929.35  682.130 25050.88  486.876  160.236   2.1930  160.640   1.5613 -0.4044647 2.692050 
1 1 1   -7   12    7 f  255.466   1.7078 63548.46  838.580 64722.32  1116.23 62027.59  1270.56  258.190   2.2272  252.743   2.5897 5.446564 3.415676 
1 1 1   -7   12    8 o  147.297   1.1359 20982.82  311.650 21340.04  522.165 20785.16  388.418  148.264   1.8143  146.330   1.3674 1.933716 2.271891 
1 1 1   -7   12    9 o   59.201   1.8883  3423.97  208.412  3328.12  344.456  3479.32  261.762   58.539   3.0313   59.862   2.2526 -1.323383 3.776612 
1 1 1   -7   12   10 o  201.792   1.5909 39340.24  582.214 40089.39  1031.15 38989.64  705.416  203.181   2.6144  200.402   1.8133 2.778961 3.181723 
1 1 1   -7   12   11 o  131.757   1.5050 16607.11  333.725 17353.80  673.461 16364.08  384.216  133.679   2.5953  129.834   1.5245 3.845200 3.009902 
1 1 1   -7   12   12 o  287.187   1.7095 79845.77  908.660 80907.79  1542.57 79281.45  1124.45  288.622   2.7533  285.751   2.0272 2.870941 3.419055 
1 1 1   -7   12   13 o  293.944   1.7311 83718.24  943.072 84545.52  1594.80 83273.40  1169.45  295.034   2.7846  292.853   2.0572 2.180267 3.462101 
1 1 1   -7   12   14 o   97.158   1.7872  9355.88  252.913  8888.50  606.266  9454.36  278.283   95.633   3.2658   98.683   1.4527 -3.049667 3.574328 
1 1 1   -7   12   15 o  207.464   1.7218 41743.61  646.918 42003.72  1145.26 41621.71  783.971  207.904   2.8377  207.023   1.9508 0.8815155 3.443616 
1 1 1   -7   12   16 f  199.520   1.7170 38352.57  613.205 39549.48  1115.73 37834.56  734.001  201.683   2.8499  197.357   1.9159 4.325714 3.434012 
1 1 1   -7   12   17 o  101.133   1.8432  9830.52  259.040 10105.08  671.132  9782.46  280.799  101.897   3.3930  100.369   1.4412 1.527992 3.686387 
1 1 1   -7   12   18 o  108.777   1.8846 11507.05  397.931 11620.45  565.565 11395.88  559.995  109.308   2.6654  108.246   2.6651 1.061295 3.769219 
1 1 1   -7   12   19 o   69.803   0.8086  4642.41  104.058  4458.78  127.275  5012.61  180.716   67.766   0.9675   71.840   1.2959 -4.074699 1.617230 
1 1 1   -7   12   20 o  153.745   1.1747 22977.46  339.422 22994.60  429.382 22948.92  554.183  153.847   1.4378  153.645   1.8581 0.2020721 2.349418 
1 1 1   -7   12   21 o   48.634   0.7752  2265.69   69.982  2193.72   86.413  2402.86  119.296   47.531   0.9366   49.736   1.2356 -2.205784 1.550465 
1 1 1   -7   12   22 o  104.108   1.0089 10540.87  196.346 10562.85  246.585 10502.79  324.562  104.274   1.2182  103.941   1.6086 0.3321457 2.017822 
1 1 1   -7   12   23 o   70.737   0.8535  4817.02  111.445  4721.12  137.093  5003.85  191.361   69.719   1.0130   71.755   1.3738 -2.035934 1.706911 
1 1 1   -7   12   24 o   17.176   2.0032  336.373   56.553  404.318   69.095  198.471   98.436   20.385   1.7461   13.966   3.6060 6.418766 4.006491 
1 1 1   -7   12   25 o  109.480   1.1624 11733.24  236.651 11914.93  296.238 11412.79  393.419  110.699   1.3786  108.261   1.8720 2.438187 2.324872 
1 1 1   -7   12   26 o   69.772   0.8997  4765.65  116.835  4849.77  146.488  4618.60  193.685   70.643   1.0682   68.902   1.4481 1.740807 1.799488 
1 1 1   -7   12   27 o   23.093   1.4833  510.412   64.807  477.632   81.784  565.732  106.245   22.129   1.9039   24.058   2.2750 -1.929178 2.966584 
1 1 1   -7   12   28 o   23.319   1.6114  513.898   69.817  470.788   85.537  599.939  120.842   21.934   2.0090   24.703   2.5200 -2.768967 3.222778 
1 1 1   -7   12   29 o   60.118   0.9496  3489.84  103.463  3428.44  125.052  3623.08  184.205   59.339   1.0856   60.898   1.5582 -1.558712 1.899145 
1 1 1   -7   12   30 o   54.459   0.9447  2890.79   94.336  2878.51  115.683  2915.16  162.985   54.343   1.0966   54.576   1.5385 -0.2327042 1.889302 
1 1 1   -7   12   31 o   27.799   1.4031  786.277   70.615  829.145   87.044  703.748  120.775   29.048   1.5437   26.549   2.3435 2.498476 2.806203 
1 1 1   -7   12   32 o   8.3473   2.5312   16.053   68.025   24.956   80.155  -6.8669  128.607   7.8179   3.2357   8.8768   3.8932 -1.058963 5.062304 
1 1 1   -7   12   33 o   29.593   1.4676  880.249   79.872  879.251   98.476  882.167  136.549   29.737   1.7060   29.450   2.3886 0.2864971 2.935245 
1 1 1   -7   12   34 o   27.224   1.9840  771.378  103.867  833.215  160.206  726.539  136.424   28.052   2.9420   26.395   2.6626 1.657528 3.967988 
1 1 1   -7   13    1 o  290.307   1.3659 81830.66  769.718 82239.79  1087.19 81419.47  1089.91  291.035   1.9244  289.579   1.9389 1.455933 2.731789 
1 1 1   -7   13    2 o  145.469   0.9870 20541.49  277.763 20527.09  377.519 20558.50  410.138  145.415   1.3374  145.524   1.4519 -0.1089783 1.973985 
1 1 1   -7   13    3 o  144.581   0.9774 20306.62  273.382 20471.16  372.382 20114.27  402.628  145.218   1.3210  143.944   1.4409 1.273544 1.954828 
1 1 1   -7   13    4 f  221.773   1.2813 47730.45  551.255 47235.67  764.148 48267.34  796.011  220.577   1.7846  222.970   1.8391 -2.393936 2.562672 
1 1 1   -7   13    5 o  119.193   0.9511 13789.81  220.050 14012.13  312.646 13571.56  309.769  120.145   1.3406  118.241   1.3496 1.903976 1.902237 
1 1 1   -7   13    6 o  226.698   1.8905 49889.36  831.672 49322.79  1159.03 50490.71  1194.08  225.372   2.6493  228.023   2.6977 -2.650665 3.781021 
1 1 1   -7   13    7 o  347.011   1.6485 116728.90  1101.89 118389.40  1670.49 115450.00  1466.06  349.185   2.4645  344.837   2.1901 4.348083 3.297025 
1 1 1   -7   13    8 o  331.102   1.6185 106421.10  1034.54 106620.00  1546.86 106260.20  1391.55  331.376   2.4047  330.828   2.1669 0.5479431 3.236984 
1 1 1   -7   13    9 o  147.915   1.2015 21213.44  342.664 21462.63  516.794 21017.93  457.758  148.687   1.7905  147.142   1.6026 1.545059 2.402994 
1 1 1   -7   13   10 o  273.371   1.6651 72400.37  841.598 73103.48  1430.75 72028.38  1040.68  274.365   2.6864  272.376   1.9683 1.989410 3.330285 
1 1 1   -7   13   11 o  396.853   1.8577 152493.50  1396.15 154983.00  2243.89 150921.00  1783.41  399.465   2.8937  394.242   2.3304 5.223022 3.715401 
1 1 1   -7   13   12 o  245.915   1.6713 58523.53  751.661 59330.47  1308.12 58125.76  918.422  247.154   2.7266  244.675   1.9337 2.479126 3.342654 
1 1 1   -7   13   13 o  210.863   1.6892 43179.04  641.804 43178.91  1145.25 43179.11  774.922  210.842   2.7982  210.885   1.8930 -0.4315186E-01 3.378355 
1 1 1   -7   13   14 o  237.904   1.7212 55016.03  748.861 54857.04  1297.93 55095.36  916.860  237.615   2.8139  238.193   1.9829 -0.5774841 3.442408 
1 1 1   -7   13   15 o   54.200   1.7687  2686.80  100.650  3058.75  368.423  2656.80  104.630   56.085   3.3840   52.315   1.0303 3.770443 3.537386 
1 1 1   -7   13   16 o   75.509   1.8488  5560.71  173.350  5518.86  508.424  5566.22  184.399   75.302   3.4782   75.715   1.2546 -0.4134750 3.697558 
1 1 1   -7   13   17 o  225.812   1.7969 49578.44  736.934 49534.11  1295.23 49599.67  896.117  225.677   2.9566  225.948   2.0431 -0.2707977 3.593858 
1 1 1   -7   13   18 o  122.006   1.0195 14496.20  233.699 14615.21  296.089 14299.56  380.600  122.682   1.2433  121.330   1.6160 1.352036 2.038916 
1 1 1   -7   13   19 o  254.324   1.3859 62926.50  670.271 63118.73  865.803 62638.95  1058.90  254.850   1.7501  253.798   2.1493 1.052414 2.771734 
1 1 1   -7   13   20 o  109.780   1.0290 11795.86  211.073 12039.99  266.234 11382.78  346.320  111.337   1.2319  108.224   1.6485 3.112373 2.057918 
1 1 1   -7   13   21 o   54.447   0.7729  2890.91   78.000  2919.22   97.106  2839.42  130.950   54.830   0.9124   54.064   1.2478 0.7654190 1.545732 
1 1 1   -7   13   22 o   54.627   0.7896  2878.82   79.929  2833.46   98.841  2964.54  135.868   54.016   0.9427   55.239   1.2671 -1.222916 1.579276 
1 1 1   -7   13   23 o   51.134   0.8354  2569.83   79.455  2648.45   99.892  2434.43  131.097   52.219   0.9855   50.050   1.3494 2.169399 1.670888 
1 1 1   -7   13   24 o   26.419   1.1809  691.113   58.277  728.000   74.187  631.674   94.175   27.365   1.3966   25.472   1.9046 1.892527 2.361780 
1 1 1   -7   13   25 o   88.479   0.9914  7646.32  164.544  7746.76  208.261  7479.48  268.424   89.277   1.2017   87.680   1.5771 1.597382 1.982755 
1 1 1   -7   13   26 o   39.900   0.9782  1495.81   73.160  1360.77   90.621  1748.57  123.976   37.410   1.2479   42.390   1.5066 -4.979950 1.956300 
1 1 1   -7   13   27 o   43.737   0.9449  1824.10   76.402  1744.61   93.677  1982.04  132.039   42.358   1.1393   45.117   1.5076 -2.759117 1.889707 
1 1 1   -7   13   28 o   32.976   1.1614  1064.33   70.546  1070.85   87.149  1051.94  120.153   33.152   1.3542   32.799   1.8871 0.3530197 2.322742 
1 1 1   -7   13   29 o   17.387   2.1884  284.469   67.216  250.127   79.828  368.134  124.597   15.904   2.5857   18.869   3.5314 -2.965019 4.376827 
1 1 1   -7   13   30 f   36.705   1.1383  1383.83   76.011  1545.60   95.979  1111.66  124.490   39.792   1.2425   33.618   1.9076 6.173916 2.276607 
1 1 1   -7   13   31 o   17.327   2.1918  329.396   67.143  372.441   84.228  254.361  111.204   19.327   2.2451   15.326   3.7650 4.000564 4.383546 
1 1 1   -7   13   32 o   16.318   2.4105  293.902   69.434  311.988   83.368  252.947  125.450   17.588   2.4418   15.048   4.1569 2.540203 4.821050 
1 1 1   -7   13   33 o   32.865   1.3323  1052.50   78.796  1008.03   94.254  1155.72  143.596   31.911   1.5216   33.819   2.1874 -1.907818 2.664522 
1 1 1   -7   13   34 o   16.348   2.4005  249.879   73.198  145.263   87.682  490.440  132.961   11.373   3.5680   21.323   3.2122 -9.950459 4.800958 
1 1 1   -7   14    1 o  121.300   0.8472 14282.58  199.478 14399.46  282.516 14166.38  281.694  121.795   1.1949  120.805   1.2012 0.9898071 1.694360 
1 1 1   -7   14    2 o  138.447   0.9035 18605.71  242.802 18881.58  344.444 18333.24  342.315  139.467   1.2723  137.427   1.2832 2.040222 1.806999 
1 1 1   -7   14    3 o   84.949   0.6676  6997.18  109.864  6891.98  150.235  7118.09  161.074   84.264   0.9185   85.634   0.9690 -1.370743 1.335104 
1 1 1   -7   14    4 o   50.917   0.4584  2516.55   45.303  2540.82   63.870  2491.97   64.268   51.164   0.6431   50.670   0.6534 0.4942398 0.9167836 
1 1 1   -7   14    5 o  146.019   1.1421 20697.79  323.714 20662.15  454.877 20734.36  460.781  145.892   1.6062  146.146   1.6242 -0.2543945 2.284279 
1 1 1   -7   14    6 o  326.351   2.2312 103444.80  1413.27 103836.10  1984.32 103042.00  2013.33  326.979   3.1263  325.722   3.1842 1.256653 4.462380 
1 1 1   -7   14    7 o  212.058   2.3235 43888.69  889.474 44261.49  1078.00 43093.52  1574.40  213.502   2.6011  210.613   3.8509 2.889389 4.647045 
1 1 1   -7   14    8 o  250.279   1.5442 60819.88  749.239 60758.79  1087.38 60875.09  1033.81  250.158   2.2393  250.401   2.1269 -0.2434387 3.088340 
1 1 1   -7   14    9 o  133.860   1.1696 17413.39  302.708 17181.49  446.865 17610.04  411.506  133.034   1.7304  134.686   1.5739 -1.651535 2.339145 
1 1 1   -7   14   10 o   44.747   1.7084  1935.45   67.987  1954.23  289.059  1934.35   69.949   44.852   3.3200   44.641   0.8072 0.2104263 3.416730 
1 1 1   -7   14   11 o  212.435   1.6322 43525.49  627.698 44635.95  1117.22 43013.28  758.779  214.385   2.6846  210.485   1.8571 3.899872 3.264327 
1 1 1   -7   14   12 o  157.852   1.5817 23820.27  431.236 25018.63  837.045 23387.28  503.148  160.496   2.6867  155.208   1.6700 5.287888 3.163426 
1 1 1   -7   14   13 o   65.641   1.6115  3917.56  123.154  4527.45  403.456  3854.89  129.327   68.265   3.0446   63.018   1.0572 5.247025 3.222959 
1 1 1   -7   14   14 o  222.033   1.7050 47876.41  689.029 47915.02  1206.60 47857.74  839.342  222.070   2.7990  221.997   1.9477 0.7238770E-01 3.410020 
1 1 1   -7   14   15 o  126.018   1.6553 15338.43  338.321 15593.12  715.622 15265.12  383.938  126.655   2.9107  125.382   1.5775 1.272331 3.310675 
1 1 1   -7   14   16 f   97.501   1.0488  9231.91  198.497  9208.32  282.012  9255.07  279.440   97.377   1.4919   97.625   1.4746 -0.2475052 2.097652 
1 1 1   -7   14   17 o  196.269   1.3772 37418.16  524.677 36967.86  737.050 37880.79  747.061  195.072   1.9464  197.466   1.9489 -2.393753 2.754435 
1 1 1   -7   14   18 o  152.943   1.1437 22651.74  330.562 22414.29  420.726 23034.76  534.360  151.914   1.4267  153.972   1.7878 -2.058350 2.287327 
1 1 1   -7   14   19 o   80.305   1.9042  7159.16  176.221  7410.34  187.387  5237.88  518.254   87.355   1.1051   73.255   3.6445 14.09979 3.808346 
1 1 1   -7   14   20 o   80.909   1.8776  6798.96  168.357  6898.23  177.145  5872.31  541.218   84.280   1.0828   77.539   3.5957 6.741844 3.755235 
1 1 1   -7   14   21 o   41.707   0.7864  1670.72   61.409  1620.87   76.712  1759.68  102.466   40.854   0.9673   42.560   1.2403 -1.706055 1.572864 
1 1 1   -7   14   22 o   52.767   0.7922  2686.67   77.101  2648.08   94.882  2761.68  132.289   52.219   0.9360   53.314   1.2782 -1.095547 1.584319 
1 1 1   -7   14   23 o  106.764   1.0716 10912.96  211.697 10544.61  260.331 11632.03  363.736  104.169   1.2874  109.358   1.7134 -5.189163 2.143210 
1 1 1   -7   14   24 o   25.498   1.2590  658.498   58.549  720.626   73.495  550.591   96.860   27.225   1.3907   23.771   2.0991 3.453583 2.517947 
1 1 1   -7   14   25 o   32.724   1.0915  1014.52   66.195  955.203   81.159  1132.41  114.408   31.343   1.3339   34.105   1.7281 -2.762690 2.183049 
1 1 1   -7   14   26 o   41.493   0.9701  1682.36   74.917  1702.09   93.787  1647.57  124.529   41.844   1.1546   41.143   1.5592 0.7017403 1.940199 
1 1 1   -7   14   27 o   30.483   1.2507  914.153   69.358  929.753   84.856  882.753  120.387   30.904   1.4145   30.062   2.0630 0.8419037 2.501332 
1 1 1   -7   14   28 o   18.656   1.9837  356.120   64.795  370.672   79.286  326.859  112.429   19.450   2.0999   17.861   3.3662 1.589529 3.967469 
1 1 1   -7   14   29 o   49.932   1.1523  2445.13  111.107  2369.56  164.320  2508.79  150.807   49.198   1.7206   50.667   1.5333 -1.469563 2.304676 
1 1 1   -7   14   30 o   33.094   1.2492  1061.55   74.555  1037.85   89.653  1114.67  134.237   32.574   1.4179   33.615   2.0572 -1.040962 2.498485 
1 1 1   -7   14   31 o   8.6268   2.5122   36.258   65.458   47.541   79.681   12.837  114.796   8.4314   3.3180   8.8222   3.7730 -0.3907146 5.024346 
1 1 1   -7   14   32 o   11.867   2.6126  156.090   70.183  199.817   87.219   75.762  118.213   13.592   3.3316   10.143   4.0254 3.449093 5.225262 
1 1 1   -7   14   33 o   16.919   2.5990  284.127   77.667  224.077   91.942  433.738  145.124   14.246   3.3764   19.592   3.9522 -5.346788 5.198042 
1 1 1   -7   14   34 o   18.419   2.3620  369.294   76.257  360.555   91.805  388.742  136.953   18.616   2.5404   18.222   3.9829 0.3939857 4.724060 
1 1 1   -7   15    1 o  137.019   0.9105 18220.98  242.136 18045.92  338.799 18403.76  346.186  136.347   1.2801  137.692   1.2952 -1.345001 1.821018 
1 1 1   -7   15    2 o  228.946   1.3245 50884.09  577.161 50909.36  910.725 50867.14  746.121  228.987   2.0489  228.904   1.6792 0.8293152E-01 2.649027 
1 1 1   -7   15    3 o  252.338   1.4435 61884.43  697.134 62205.31  913.778 61437.59  1078.32  253.128   1.8597  251.548   2.2083 1.580109 2.887044 
1 1 1   -7   15    4 o  193.000   1.5840 36227.86  582.531 35840.50  913.399 36493.43  756.304  192.123   2.4492  193.878   2.0096 -1.755371 3.168081 
1 1 1   -7   15    5 f  330.346   2.2367 105995.40  1434.10 106502.30  2014.55 105474.60  2041.99  331.149   3.1339  329.543   3.1921 1.605560 4.473365 
1 1 1   -7   15    6 o  222.264   1.8814 47965.61  811.629 47726.00  1137.78 48213.86  1158.12  221.699   2.6438  222.828   2.6774 -1.128983 3.762757 
1 1 1   -7   15    7 o  289.116   2.4642 81434.83  1341.99 82206.23  1707.34 80187.85  2170.75  290.941   3.0231  287.291   3.8924 3.650146 4.928498 
1 1 1   -7   15    8 o  130.087   1.2165 16406.13  295.872 16511.50  490.169 16345.73  371.103  130.412   1.9363  129.763   1.4733 0.6488953 2.433022 
1 1 1   -7   15    9 o   86.953   0.9161  7347.54  154.433  7132.46  221.997  7549.24  214.975   85.718   1.3342   88.188   1.2558 -2.469597 1.832211 
1 1 1   -7   15   10 o  193.894   1.5996 36381.98  560.659 36837.91  997.547 36171.47  677.852  194.764   2.6385  193.023   1.8091 1.741486 3.199147 
1 1 1   -7   15   11 o  403.104   1.8681 157309.70  1424.67 160042.00  2296.56 155600.41  1816.43  405.913   2.9146  400.295   2.3376 5.617462 3.736220 
1 1 1   -7   15   12 o  134.767   1.5678 17623.15  357.109 17662.31  708.816 17609.83  413.409  134.852   2.7078  134.682   1.5813 0.1703033 3.135661 
1 1 1   -7   15   13 o  129.641   1.6757 16572.56  366.177 15820.46  720.689 16834.28  425.143  127.606   2.9094  131.676   1.6633 -4.069962 3.351317 
1 1 1   -7   15   14 o  175.181   1.6629 29713.29  514.062 30038.86  954.263 29580.18  610.164  175.826   2.7959  174.535   1.8009 1.290955 3.325712 
1 1 1   -7   15   15 o   98.416   1.7579  9412.01  335.821  9443.00  477.975  9381.80  471.927   98.576   2.4979   98.257   2.4743 0.3188019 3.515878 
1 1 1   -7   15   16 o   88.263   0.9875  7555.26  169.018  7768.82  245.708  7363.44  232.864   89.445   1.4151   87.081   1.3776 2.363770 1.974916 
1 1 1   -7   15   17 o   82.932   0.9497  6676.75  152.866  6582.37  213.942  6775.20  218.500   82.333   1.3386   83.530   1.3475 -1.197014 1.899412 
1 1 1   -7   15   18 o  136.927   1.2316 18199.19  327.146 17736.64  452.659 18704.97  473.343  135.109   1.7259  138.745   1.7575 -3.636353 2.463245 
1 1 1   -7   15   19 o   80.380   0.8431  6311.67  126.689  6415.27  159.722  6135.90  208.037   81.282   1.0123   79.479   1.3484 1.803078 1.686103 
1 1 1   -7   15   20 o  221.066   1.3585 47398.01  569.229 46966.20  728.515 48074.86  912.100  219.819   1.7073  222.314   2.1135 -2.494919 2.716967 
1 1 1   -7   15   21 o   62.290   0.7890  3794.62   91.825  3867.24  115.764  3671.40  150.792   63.105   0.9450   61.474   1.2636 1.631550 1.577927 
1 1 1   -7   15   22 o   74.308   0.8582  5369.86  118.571  5383.66  147.891  5345.02  198.389   74.452   1.0233   74.164   1.3780 0.2879639 1.716426 
1 1 1   -7   15   23 o   97.162   1.1384  9178.71  214.682  9430.46  305.711  8933.78  301.544   98.478   1.5992   95.847   1.6207 2.630798 2.276889 
1 1 1   -7   15   24 o   64.653   0.8578  4031.81  102.454  3964.43  126.238  4161.86  175.369   63.880   1.0180   65.425   1.3808 -1.545174 1.715540 
1 1 1   -7   15   25 o  138.050   1.2939 18518.82  334.696 18389.99  420.833 18740.56  552.130  137.463   1.5771  138.637   2.0516 -1.174408 2.587734 
1 1 1   -7   15   26 o   88.696   1.0198  7599.29  166.444  7483.54  204.283  7827.87  287.081   87.732   1.1995   89.659   1.6495 -1.926529 2.039517 
1 1 1   -7   15   27 o   85.638   1.0042  7130.62  159.782  7105.47  198.837  7176.48  268.457   85.464   1.1985   85.811   1.6116 -0.3471146 2.008432 
1 1 1   -7   15   28 o   64.709   0.9308  4114.63  111.061  4194.66  137.818  3966.41  187.566   65.655   1.0814   63.764   1.5154 1.890999 1.861632 
1 1 1   -7   15   29 o   37.302   1.0970  1373.06   74.656  1398.74   91.642  1322.40  128.726   37.873   1.2465   36.730   1.8054 1.142490 2.193926 
1 1 1   -7   15   30 o   13.836   2.4353  173.239   65.233  100.710   79.652  320.978  113.681   10.184   3.4166   17.488   3.4713 -7.303553 4.870639 
1 1 1   -7   15   31 o   16.313   2.3882  255.754   69.739  196.456   83.951  387.793  125.272   13.562   3.2342   19.063   3.5149 -5.500154 4.776446 
1 1 1   -7   15   32 o   28.620   1.3731  793.510   74.261  723.738   93.245  914.511  122.794   27.007   1.7786   30.232   2.0924 -3.224997 2.746201 
1 1 1   -7   15   33 o   35.596   1.3198  1250.93   84.157  1223.57  100.757  1314.05  153.048   35.163   1.4761   36.028   2.1884 -0.8649940 2.639690 
1 1 1   -7   15   34 f   12.214   2.7532  181.051   77.134  221.089   93.640   96.548  136.040   13.905   3.4780   10.522   4.2690 3.383621 5.506447 
1 1 1   -7   16    1 o  182.572   1.0606 32357.14  375.870 32574.10  532.099 32141.06  531.022  183.183   1.4964  181.961   1.5034 1.221832 2.121160 
1 1 1   -7   16    2 o   35.715   0.3879  1234.30   26.851  1314.66   39.279  1163.80   36.791   36.803   0.5498   34.627   0.5473 2.175934 0.7758008 
1 1 1   -7   16    3 o   74.522   0.7057  5375.44   98.547  5448.09  162.631  5333.28  123.881   74.918   1.1183   74.126   0.8609 0.7923737 1.411300 
1 1 1   -7   16    4 o  383.820   2.6134 142943.20  1927.25 144276.50  2950.02 141950.41  2545.58  385.357   3.9436  382.284   3.4303 3.072388 5.226797 
1 1 1   -7   16    5 o  336.466   2.2686 109958.20  1481.50 110448.00  2081.09 109455.00  2109.52  337.228   3.1791  335.704   3.2371 1.523315 4.537148 
1 1 1   -7   16    6 o  182.430   1.6981 32315.30  601.324 32529.35  848.164 32098.98  852.655  183.038   2.3871  181.822   2.4158 1.215652 3.396241 
1 1 1   -7   16    7 o   53.048   2.7176  2397.89   98.302  2377.10   99.714  3116.49  586.266   49.487   1.0380   56.609   5.3351 -7.122421 5.435131 
1 1 1   -7   16    8 o  223.490   1.9531 48459.57  846.462 47524.17  1166.64 49499.38  1230.03  221.217   2.7168  225.763   2.8067 -4.546082 3.906216 
1 1 1   -7   16    9 o   71.911   0.8273  5019.47  115.424  5026.18  165.980  5013.19  160.620   71.958   1.1883   71.865   1.1514 0.9274292E-01 1.654583 
1 1 1   -7   16   10 o  204.025   1.3975 40492.19  548.926 39788.99  827.345 41045.16  733.668  202.435   2.1054  205.614   1.8382 -3.179550 2.794912 
1 1 1   -7   16   11 o  261.352   1.6803 65955.43  807.504 67500.34  1393.05 65173.63  990.979  263.622   2.7222  259.082   1.9704 4.539520 3.360505 
1 1 1   -7   16   12 o  312.448   1.7432 94410.05  1010.89 96156.02  1707.69 93468.18  1254.27  314.636   2.7960  310.259   2.0826 4.377258 3.486353 
1 1 1   -7   16   13 o  261.218   1.7282 66124.88  833.445 66777.13  1421.26 65783.02  1028.93  262.167   2.7927  260.269   2.0366 1.897430 3.456435 
1 1 1   -7   16   14 o   69.759   0.8310  4723.74  112.517  4691.52  157.989  4756.90  160.283   69.517   1.1708   70.000   1.1796 -0.4826279 1.661945 
1 1 1   -7   16   15 o   44.070   0.7060  1884.81   60.381  1834.86   84.568  1936.76   86.239   43.475   1.0021   44.666   0.9946 -1.191017 1.411907 
1 1 1   -7   16   16 o  134.616   1.2000 17596.90  313.499 17436.88  437.935 17765.10  448.981  133.989   1.6837  135.243   1.7102 -1.253723 2.399949 
1 1 1   -7   16   17 o  125.575   1.2085 15314.03  294.548 15065.27  412.859 15571.89  420.351  124.536   1.7078  126.613   1.7103 -2.076477 2.416963 
1 1 1   -7   16   18 o   38.908   2.8231  1481.26  212.614  1433.54  309.576  1523.87  292.512   38.303   4.1636   39.512   3.8137 -1.209671 5.646244 
1 1 1   -7   16   19 o   39.449   0.7247  1500.73   54.248  1463.37   69.327  1559.73   87.124   38.822   0.9199   40.076   1.1199 -1.254227 1.449316 
1 1 1   -7   16   20 o  168.446   1.2378 27608.58  394.002 27702.03  503.110 27460.37  633.592  168.844   1.5350  168.048   1.9423 0.7966461 2.475625 
1 1 1   -7   16   21 o   58.483   0.7692  3336.90   84.384  3380.80  106.789  3263.92  137.688   59.003   0.9324   57.964   1.2237 1.039936 1.538426 
1 1 1   -7   16   22 f   35.159   0.8867  1197.20   58.328  1186.87   73.143  1215.25   96.669   34.956   1.0779   35.362   1.4083 -0.4059372 1.773480 
1 1 1   -7   16   23 f   44.416   0.8391  1884.43   69.579  1804.29   86.353  2032.76  117.483   43.098   1.0322   45.734   1.3233 -2.635498 1.678272 
1 1 1   -7   16   24 o   55.264   0.8275  2958.79   85.534  2933.59  107.221  3002.90  141.844   54.951   1.0052   55.578   1.3148 -0.6267357 1.654974 
1 1 1   -7   16   25 o   80.118   0.9479  6255.51  140.917  6286.62  175.456  6198.97  236.524   80.423   1.1239   79.813   1.5266 0.6105576 1.895717 
1 1 1   -7   16   26 o   78.038   0.9461  5849.79  136.754  5683.79  168.570  6169.37  233.893   76.463   1.1357   79.613   1.5135 -3.149673 1.892180 
1 1 1   -7   16   27 o   21.570   2.0825  451.115   86.031  569.318  130.026  359.077  114.736   24.061   2.7839   19.079   3.0980 4.981928 4.164999 
1 1 1   -7   16   28 f   29.933   1.2791  891.097   70.143  923.969   86.896  829.623  118.830   30.778   1.4544   29.087   2.1046 1.691469 2.558238 
1 1 1   -7   16   29 o   33.776   1.1736  1057.56   72.189  957.683   86.396  1288.58  131.396   31.313   1.4214   36.239   1.8678 -4.926268 2.347151 
1 1 1   -7   16   30 o   36.711   1.1137  1326.57   75.617  1336.79   93.901  1307.71  127.536   36.974   1.3083   36.448   1.8026 0.5257874 2.227329 
1 1 1   -7   16   31 o   12.754   2.5692  181.104   66.745  205.301   82.663  135.780  113.136   13.882   3.1410   11.627   4.0666 2.255223 5.138367 
1 1 1   -7   16   32 o   20.288   1.9486  412.470   74.309  386.176   92.900  459.173  123.813   19.522   2.4515   21.054   3.0295 -1.532408 3.897138 
1 1 1   -7   16   33 o   10.629   2.6523  116.319   73.895  168.065   90.688   14.084  127.470   12.266   3.5838   8.9910   3.9110 3.275509 5.304697 
1 1 1   -7   16   34 o   22.719   2.0237  557.173   80.165  569.455   95.668  528.218  146.892   23.618   2.0867   21.820   3.4680 1.798147 4.047350 
1 1 1   -7   17    1 o  166.742   1.1125 27070.07  356.561 27596.07  474.776 26389.60  540.005  168.607   1.4506  164.877   1.6872 3.730789 2.225077 
1 1 1   -7   17    2 o  188.697   1.0757 34564.50  393.996 34588.39  555.257 34540.27  559.152  188.762   1.5154  188.631   1.5270 0.1315613 2.151314 
1 1 1   -7   17    3 o  245.028   1.2625 58311.77  598.875 57904.19  878.054 58666.30  818.911  244.225   1.8521  245.831   1.7161 -1.605728 2.524915 
1 1 1   -7   17    4 o  249.584   2.3478 60643.25  1105.29 59900.17  1782.89 61107.10  1408.64  248.319   3.6987  250.850   2.8928 -2.531128 4.695611 
1 1 1   -7   17    5 o  118.400   1.2622 13609.80  290.089 13666.11  408.214 13552.35  412.311  118.648   1.7724  118.153   1.7977 0.4951706 2.524499 
1 1 1   -7   17    6 o  453.365   2.7054 199575.70  2365.86 200726.30  3556.32 198662.20  3168.78  454.511   4.0308  452.218   3.6098 2.293518 5.410889 
1 1 1   -7   17    7 o  371.544   2.6343 134524.00  1872.49 136573.70  2458.83 131694.00  2889.12  374.957   3.3782  368.131   4.0429 6.826752 5.268535 
1 1 1   -7   17    8 o  206.501   2.3537 40844.46  863.679 40013.57  1026.40 42859.74  1598.49  202.988   2.6048  210.013   3.9210 -7.024918 4.707389 
1 1 1   -7   17    9 o  256.602   2.4637 64181.27  1171.31 64687.50  1456.80 63255.61  1969.95  258.075   2.9080  255.128   3.9777 2.947021 4.927302 
1 1 1   -7   17   10 o  319.366   1.6769 99085.77  1035.76 98552.23  1529.88 99537.25  1407.34  318.565   2.4740  320.168   2.2644 -1.602051 3.353819 
1 1 1   -7   17   11 o  136.617   1.5806 18167.97  366.721 18032.55  720.821 18215.26  425.969  136.257   2.7252  136.977   1.6020 -0.7199860 3.161221 
1 1 1   -7   17   12 o   98.521   1.6949  9742.76  256.438  8913.42  568.643  9954.48  287.312   95.782   3.0584  101.261   1.4617 -5.478600 3.389704 
1 1 1   -7   17   13 o   75.947   1.4459  5836.27  171.828  5206.83  369.142  6010.38  194.143   73.210   2.5975   78.684   1.2711 -5.473549 2.891822 
1 1 1   -7   17   14 o  208.560   1.3603 42244.74  550.711 42206.31  778.066 42283.32  779.582  208.465   1.9227  208.655   1.9247 -0.1899567 2.720563 
1 1 1   -7   17   15 o  156.370   1.2549 23740.76  380.839 23316.73  531.902 24186.80  545.534  154.938   1.7685  157.802   1.7809 -2.863510 2.509841 
1 1 1   -7   17   16 o   40.438   2.6292  1596.73  205.801  1504.59  296.424  1682.48  285.950   39.302   3.8853   41.573   3.5433 -2.270859 5.258422 
1 1 1   -7   17   17 o  141.805   1.2631 19535.71  347.698 19599.03  492.853 19472.97  490.592  142.033   1.7876  141.576   1.7851 0.4573059 2.526268 
1 1 1   -7   17   18 o  116.883   1.1549 13272.24  262.015 13569.89  372.939 12982.12  368.196  118.178   1.6257  115.589   1.6410 2.588921 2.309889 
1 1 1   -7   17   19 o  101.691   0.9645 10022.38  182.869  9962.52  228.407 10129.25  305.209  101.282   1.1618  102.101   1.5399 -0.8197784 1.929001 
1 1 1   -7   17   20 o  147.494   1.1925 21174.80  333.607 21284.43  428.995 21007.09  530.629  148.001   1.4932  146.988   1.8597 1.013672 2.384997 
1 1 1   -7   17   21 o  114.507   1.0512 12766.57  225.004 12829.82  282.764 12657.38  371.508  114.916   1.2676  114.099   1.6773 0.8170090 2.102447 
1 1 1   -7   17   22 o   55.055   2.4859  2792.07   97.871  2779.35   99.544  3161.08  536.146   53.496   0.9586   56.614   4.8786 -3.118305 4.971874 
1 1 1   -7   17   23 o  114.392   1.1184 12755.44  239.578 12840.70  301.995 12610.67  393.517  114.938   1.3535  113.845   1.7807 1.093712 2.236710 
1 1 1   -7   17   24 o   88.968   0.9922  7692.30  163.344  7682.50  202.396  7710.61  276.630   88.911   1.1727   89.025   1.6007 -0.1137238 1.984328 
1 1 1   -7   17   25 o   48.760   0.9046  2322.37   82.620  2352.70  104.354  2271.43  135.251   49.201   1.0926   48.320   1.4419 0.8813438 1.809152 
1 1 1   -7   17   26 o  106.724   1.2019 11031.08  234.885 10902.22  287.064 11292.12  408.575  105.851   1.3971  107.598   1.9562 -1.746788 2.403817 
1 1 1   -7   17   27 o   23.664   1.4756  543.727   65.403  532.502   81.936  563.436  108.575   23.354   1.8074   23.975   2.3329 -0.6214981 2.951168 
1 1 1   -7   17   28 o   24.251   1.5837  558.151   69.289  526.998   82.760  631.167  126.703   23.206   1.8372   25.296   2.5802 -2.090031 3.167466 
1 1 1   -7   17   29 o   22.857   1.6196  532.770   66.905  568.086   82.621  465.503  114.027   24.071   1.7682   21.643   2.7140 2.428051 3.239202 
1 1 1   -7   17   30 o   28.180   1.3987  802.219   69.103  827.632   82.540  742.664  126.357   29.057   1.4634   27.303   2.3841 1.753771 2.797379 
1 1 1   -7   17   31 o   45.502   0.9868  2033.89   84.695  2033.74  107.787  2034.14  136.928   45.565   1.2186   45.440   1.5524 0.1249809 1.973541 
1 1 1   -7   17   32 o   22.077   1.8490  473.808   75.300  425.444   91.314  576.588  133.116   20.529   2.2914   23.625   2.9026 -3.096346 3.698042 
1 1 1   -7   17   33 o   18.386   2.1444  340.180   72.755  283.473   90.048  446.794  123.470   16.229   2.9677   20.543   3.0962 -4.314482 4.288793 
1 1 1   -7   17   34 f   14.392   2.8643  217.576   78.733  159.544   93.511  358.907  145.930   11.748   3.6846   17.036   4.3865 -5.288357 5.728634 
1 1 1   -7   18    1 o  302.533   1.3548 88926.14  793.978 90033.59  1092.03 87684.18  1156.45  304.535   1.8473  300.531   1.9823 4.004547 2.709606 
1 1 1   -7   18    2 o  281.925   1.3930 77298.71  752.589 78032.91  990.911 76297.93  1156.91  283.516   1.8005  280.335   2.1260 3.180878 2.785957 
1 1 1   -7   18    3 o  105.173   0.7749 10736.91  158.191 10867.39  223.922 10606.90  223.509  105.811   1.0902  104.535   1.1015 1.275909 1.549754 
1 1 1   -7   18    4 o  339.620   2.3015 111961.20  1515.87 110611.50  2093.03 113450.10  2198.38  337.472   3.1950  341.767   3.3137 -4.294189 4.603094 
1 1 1   -7   18    5 o  487.513   3.0276 230977.91  2864.79 231602.59  4020.68 230333.80  4082.90  488.188   4.2427  486.838   4.3203 1.350067 6.055270 
1 1 1   -7   18    6 o  421.290   2.9306 172470.91  2395.28 172113.50  3330.78 172853.70  3447.08  420.847   4.0771  421.734   4.2106 -0.8867493 5.861108 
1 1 1   -7   18    7 o  220.129   2.4346 47369.38  963.265 47864.96  1163.78 46291.23  1716.54  222.008   2.7005  218.251   4.0517 3.757217 4.869128 
1 1 1   -7   18    8 o  166.046   2.3602 27146.03  660.799 27525.94  766.975 26051.74  1301.69  168.368   2.3467  163.724   4.0957 4.643646 4.720358 
1 1 1   -7   18    9 o  102.541   3.1050 10220.37  618.012 10107.63  868.454 10336.03  879.656  101.968   4.3875  103.113   4.3947 -1.145363 6.209987 
1 1 1   -7   18   10 o   38.773   2.1126  1443.33  154.019  1527.62  254.544  1394.65  193.451   39.652   3.3070   37.894   2.6299 1.757828 4.225220 
1 1 1   -7   18   11 o  132.363   1.5608 16891.94  347.221 17253.41  698.296 16773.21  400.203  133.282   2.6990  131.444   1.5685 1.838242 3.121644 
1 1 1   -7   18   12 o  209.678   1.6831 42599.00  636.492 42978.41  1136.31 42425.53  768.341  210.329   2.7831  209.026   1.8936 1.303467 3.366230 
1 1 1   -7   18   13 o   31.784   0.6518  980.815   40.209  970.272   57.215  991.103   56.521   31.616   0.9323   31.953   0.9112 -0.3376598 1.303636 
1 1 1   -7   18   14 o   51.372   0.7240  2559.90   72.163  2459.59  100.529  2666.54  103.651   50.335   1.0289   52.410   1.0188 -2.074875 1.447946 
1 1 1   -7   18   15 o  130.546   1.2126 16511.13  306.145 17015.47  455.671 16096.16  413.329  132.355   1.7736  128.736   1.6540 3.618805 2.425107 
1 1 1   -7   18   16 o  185.401   1.4241 33391.74  510.159 33437.34  758.934 33354.16  689.065  185.508   2.1075  185.294   1.9157 0.2133331 2.848114 
1 1 1   -7   18   17 o   65.926   0.8282  4219.16  105.973  4316.24  151.208  4125.44  148.565   66.671   1.1684   65.180   1.1742 1.490402 1.656425 
1 1 1   -7   18   18 o   86.014   0.9637  7184.83  160.882  7313.13  229.508  7060.88  225.585   86.769   1.3626   85.259   1.3630 1.509583 1.927312 
1 1 1   -7   18   19 o   45.693   0.7023  2063.54   60.092  2178.89   76.802  1881.44   96.495   47.373   0.8352   44.014   1.1294 3.358231 1.404657 
1 1 1   -7   18   20 o   56.949   0.7541  3156.66   80.599  3177.04  101.899  3122.60  131.729   57.199   0.9177   56.698   1.1969 0.5014763 1.508220 
1 1 1   -7   18   21 o   73.205   0.8329  5178.55  113.737  5108.90  141.902  5303.71  190.203   72.529   1.0079   73.881   1.3262 -1.352814 1.665753 
1 1 1   -7   18   22 o   89.017   0.9496  7609.45  156.694  7403.10  193.363  8004.15  267.428   87.295   1.1411   90.738   1.5183 -3.442772 1.899276 
1 1 1   -7   18   23 o  107.771   1.0923 11182.34  218.413 10921.93  270.073 11674.61  371.326  106.005   1.3125  109.538   1.7463 -3.532516 2.184548 
1 1 1   -7   18   24 o   70.992   0.8900  4939.66  118.462  5063.14  150.314  4737.24  192.447   72.187   1.0727   69.797   1.4204 2.389923 1.779932 
1 1 1   -7   18   25 o   65.427   0.8784  4214.89  107.243  4366.06  135.609  3962.49  175.223   67.029   1.0422   63.824   1.4143 3.205475 1.756838 
1 1 1   -7   18   26 o   65.034   0.9240  4168.88  111.772  4315.82  140.727  3917.77  183.958   66.630   1.0880   63.439   1.4938 3.191330 1.848057 
1 1 1   -7   18   27 o   13.949   2.7067  199.044   75.486  178.563  102.853  222.957  111.134   13.219   3.8036   14.679   3.8519 -1.459345 5.413334 
1 1 1   -7   18   28 o   19.223   1.8374  353.768   65.832  327.552   81.116  404.354  112.680   18.248   2.2900   20.198   2.8740 -1.949650 3.674718 
1 1 1   -7   18   29 o   15.021   2.3714  235.441   64.002  242.775   76.597  218.474  116.501   15.649   2.5215   14.393   4.0169 1.256255 4.742743 
1 1 1   -7   18   30 o   25.831   1.3732  647.875   67.585  602.165   86.417  719.865  108.451   24.712   1.8015   26.951   2.0730 -2.238897 2.746393 
1 1 1   -7   18   31 o   10.350   2.3082   94.926   68.051  199.791   83.856 -107.3364  116.461   13.662   3.2154   7.0377   3.3124 6.624634 4.616354 
1 1 1   -7   18   32 o   38.209   1.1427  1436.47   80.624  1414.71   99.421  1478.25  137.785   37.905   1.3512   38.512   1.8431 -0.6064758 2.285302 
1 1 1   -7   18   33 o   21.433   1.9227  455.922   75.478  414.271   91.026  547.579  135.030   20.132   2.3292   22.734   3.0598 -2.601599 3.845442 
1 1 1   -7   18   34 o   20.889   2.2255  491.230   80.154  517.426   98.024  438.373  139.242   22.403   2.2541   19.375   3.8380 3.027899 4.450936 
1 1 1   -7   19    1 o   63.976   0.5490  3972.85   68.177  4014.59   96.423  3931.13   96.411   64.312   0.7724   63.640   0.7804 0.6720276 1.097997 
1 1 1   -7   19    2 o   75.671   0.7122  5569.36  101.641  5509.60  164.066  5606.58  129.482   75.340   1.1218   76.001   0.8777 -0.6614075 1.424356 
1 1 1   -7   19    3 o   43.576   1.8867  1850.67  152.321  1866.84  189.471  1821.13  256.118   43.849   2.2259   43.303   3.0469 0.5464745 3.773384 
1 1 1   -7   19    4 o  177.923   1.5153 30779.92  507.869 30920.78  645.342 30550.76  823.150  178.466   1.8628  177.381   2.3906 1.084991 3.030687 
1 1 1   -7   19    5 o  122.280   1.3375 14520.22  317.389 14762.66  446.390 14272.36  451.363  123.313   1.8648  121.247   1.9177 2.065941 2.674944 
1 1 1   -7   19    6 o  284.167   2.4681 78195.80  1324.96 79543.48  2144.08 77363.22  1685.24  286.111   3.8605  282.222   3.0761 3.889099 4.936193 
1 1 1   -7   19    7 o  347.937   2.6511 118036.70  1754.75 119731.00  2274.81 115547.20  2757.42  351.071   3.3380  344.803   4.1197 6.267517 5.302282 
1 1 1   -7   19    8 o   98.516   2.3166  9230.62  286.233  9170.65  304.371  9689.23  841.737   97.193   1.6132   99.839   4.3432 -2.645050 4.633164 
1 1 1   -7   19    9 o   21.365   0.9787  496.906   23.868  379.656   71.907  511.424   25.302   19.775   1.8733   22.954   0.5678 -3.179771 1.957437 
1 1 1   -7   19   10 o  248.843   1.5927 60149.40  769.104 59084.90  1095.33 61184.68  1080.18  246.668   2.2875  251.017   2.2168 -4.348587 3.185440 
1 1 1   -7   19   11 o   38.260   1.9633  1390.89   55.469  1455.84  289.256  1388.41   56.517   38.699   3.8505   37.821   0.7698 0.8786736 3.926674 
1 1 1   -7   19   12 o   78.811   1.7073  6035.89  261.044  5931.75  373.482  6135.35  365.007   78.145   2.4621   79.477   2.3659 -1.332237 3.414572 
1 1 1   -7   19   13 o  196.233   1.3264 37395.80  505.237 37410.05  712.734 37381.41  716.305  196.270   1.8707  196.195   1.8808 0.7572937E-01 2.652739 
1 1 1   -7   19   14 o  119.090   1.1240 13768.16  259.765 13582.83  362.244 13964.34  372.706  118.266   1.5779  119.914   1.6011 -1.648415 2.247977 
1 1 1   -7   19   15 o   94.377   0.9925  8649.12  181.834  8617.54  256.846  8680.85  257.458   94.205   1.4045   94.550   1.4027 -0.3454895 1.985058 
1 1 1   -7   19   16 o   38.085   2.7230  1413.40  201.221  1413.08  288.898  1413.70  280.429   38.079   3.9084   38.092   3.7925 -0.1293182E-01 5.445977 
1 1 1   -7   19   17 o   55.798   2.2886  3029.77  247.733  3165.38  357.510  2904.50  343.599   56.998   3.2312   54.598   3.2420 2.399979 4.577251 
1 1 1   -7   19   18 o   85.473   0.9842  7097.53  163.284  7202.42  230.445  6991.78  231.395   86.108   1.3787   84.838   1.4051 1.269859 1.968486 
1 1 1   -7   19   19 o   96.871   1.0801  9111.15  202.932  8953.83  280.204  9284.69  294.291   95.994   1.5037   97.748   1.5510 -1.754044 2.160239 
1 1 1   -7   19   20 o   98.962   0.9701  9515.30  179.202  9513.19  224.493  9519.00  297.520   98.962   1.1686   98.962   1.5488 0.1525879E-03 1.940173 
1 1 1   -7   19   21 o   57.829   0.7753  3193.07   83.291  3066.26  102.778  3435.69  142.160   56.191   0.9423   59.468   1.2315 -3.276817 1.550627 
1 1 1   -7   19   22 o   51.400   0.7968  2550.85   77.346  2500.31   98.121  2633.80  125.700   50.737   0.9963   52.063   1.2438 -1.326431 1.593575 
1 1 1   -7   19   23 o  117.604   1.1678 13559.63  258.672 13904.92  330.508 13013.75  415.564  119.587   1.4237  115.621   1.8516 3.966057 2.335661 
1 1 1   -7   19   24 o   70.609   0.8798  4841.48  115.899  4828.92  144.999  4863.70  192.870   70.497   1.0596   70.721   1.4049 -0.2240677 1.759686 
1 1 1   -7   19   25 o   58.008   0.8529  3298.14   93.093  3385.61  118.798  3158.97  149.852   59.025   1.0368   56.991   1.3546 2.034378 1.705817 
1 1 1   -7   19   26 o   75.949   0.9426  5553.21  133.677  5402.01  166.498  5827.44  224.236   74.534   1.1508   77.364   1.4931 -2.829887 1.885142 
1 1 1   -7   19   27 o   54.613   0.9224  2888.73   93.112  2852.49  114.910  2958.02  158.889   54.145   1.0933   55.080   1.4861 -0.9350662 1.844890 
1 1 1   -7   19   28 o   26.299   1.4646  706.865   68.646  757.238   83.908  604.912  119.372   27.840   1.5526   24.757   2.4839 3.083118 2.929239 
1 1 1   -7   19   29 o   12.902   2.3023  145.303   64.368   37.757   82.323  314.474  103.249   8.3530   3.3447   17.450   3.1646 -9.097236 4.604541 
1 1 1   -7   19   30 o   30.249   1.2764  920.495   70.816  960.998   88.077  846.437  119.100   31.297   1.4497   29.201   2.1011 2.096104 2.552707 
1 1 1   -7   19   31 o   21.598   1.7556  458.932   70.640  431.500   87.251  511.123  120.348   20.781   2.1629   22.414   2.7660 -1.633228 3.511255 
1 1 1   -7   19   32 o   24.696   1.7238  666.777   74.225  756.036   91.571  495.787  126.741   27.580   1.7104   21.812   2.9933 5.767757 3.447516 
1 1 1   -7   19   33 o   18.120   2.5306  365.975   77.853  367.553   91.383  361.800  148.673   18.874   2.4943   17.366   4.4039 1.507982 5.061253 
1 1 1   -7   20    1 o  309.809   1.3277 93176.55  798.422 92773.59  1120.53 93592.13  1137.95  309.129   1.8673  310.489   1.8880 -1.359894 2.655481 
1 1 1   -7   20    2 o  282.994   1.4763 77829.35  786.078 78059.53  996.664 77450.51  1278.66  283.559   1.8107  282.429   2.3323 1.130310 2.952633 
1 1 1   -7   20    3 o   74.822   0.7511  5374.35  101.465  5274.61  122.172  5596.07  182.163   73.717   0.8538   75.928   1.2359 -2.210876 1.502154 
1 1 1   -7   20    4 o  130.068   2.7490 16413.77  691.522 16157.58  935.320 16722.65  1027.02  128.956   3.7364  131.180   4.0332 -2.224167 5.497914 
1 1 1   -7   20    5 o  370.061   2.4165 133060.59  1735.08 133845.00  2421.39 132232.91  2487.48  371.188   3.3605  368.934   3.4733 2.253082 4.832919 
1 1 1   -7   20    6 o  457.566   7.8175 204187.41  6943.63   0.0000   0.0000 204187.41  6943.63  ?   ?   457.566   7.8175      ?      ? 
1 1 1   -7   20    7 o   89.223   3.3587  7762.79  567.545  7844.25  728.861  7637.32  904.559   89.837   4.1795   88.608   5.2589 1.228806 6.717479 
1 1 1   -7   20    8 o   88.325   2.4368  7583.28  244.841  7584.14  257.368  7575.05  794.464   88.388   1.5000   88.262   4.6370 0.1257782 4.873549 
1 1 1   -7   20    9 o   95.891   1.1396  8926.88  212.124  9052.01  300.587  8802.74  299.394   96.561   1.6036   95.222   1.6197 1.339043 2.279284 
1 1 1   -7   20   10 o  284.196   2.0492 78494.37  1119.03 78165.41  1706.62 78742.48  1482.12  283.657   3.0994  284.735   2.6815 -1.077362 4.098382 
1 1 1   -7   20   11 o  118.664   1.0767 13666.78  247.977 13888.75  354.702 13454.57  346.815  119.606   1.5277  117.722   1.5177 1.884117 2.153432 
1 1 1   -7   20   12 o  152.383   1.2113 22545.43  358.279 22248.05  504.529 22847.94  508.864  151.370   1.7170  153.397   1.7089 -2.027451 2.422526 
1 1 1   -7   20   13 o  120.529   1.1476 14143.91  267.576 14654.39  367.706 13569.34  390.105  122.849   1.5419  118.208   1.7001 4.641014 2.295169 
1 1 1   -7   20   14 o  273.515   1.4791 72684.56  785.297 72577.61  1108.85 72792.20  1112.32  273.314   2.0900  273.717   2.0934 -0.4032898 2.958139 
1 1 1   -7   20   15 o  144.880   1.2469 20386.11  350.648 20164.43  493.372 20612.37  498.448  144.084   1.7640  145.676   1.7627 -1.591644 2.493708 
1 1 1   -7   20   16 o  111.271   1.0907 12024.90  235.585 12124.23  334.490 11927.12  331.861  111.727   1.5423  110.815   1.5427 0.9119415 2.181435 
1 1 1   -7   20   17 f   96.714   1.0278  9085.15  192.941  9013.70  270.755  9158.87  275.015   96.328   1.4480   97.100   1.4591 -0.7720108 2.055596 
1 1 1   -7   20   18 o  116.492   1.1720 13188.49  264.998 13272.45  373.032 13102.96  376.521  116.868   1.6443  116.117   1.6704 0.7508392 2.343956 
1 1 1   -7   20   19 o   19.266   1.3106  355.763   48.173  272.653   64.392  461.405   72.598   16.744   1.9811   21.788   1.7165 -5.043209 2.621283 
1 1 1   -7   20   20 o   93.670   0.9410  8551.80  164.319  8621.86  205.941  8429.04  272.592   94.214   1.1261   93.126   1.5079 1.087883 1.881972 
1 1 1   -7   20   21 o   21.647   1.1433  430.697   46.647  352.448   58.148  571.972   78.131   19.041   1.5732   24.254   1.6595 -5.213253 2.286694 
1 1 1   -7   20   22 o   95.615   0.9947  8900.68  177.020  8936.98  221.186  8836.01  295.246   95.907   1.1881   95.323   1.5956 0.5835419 1.989326 
1 1 1   -7   20   23 o   54.204   0.8286  2830.62   83.973  2766.13  104.866  2945.88  140.194   53.360   1.0124   55.048   1.3120 -1.688747 1.657166 
1 1 1   -7   20   24 o   31.764   1.0568  988.870   62.559  1008.35   78.622  955.248  103.285   32.205   1.2577   31.323   1.6987 0.8814659 2.113562 
1 1 1   -7   20   25 o   39.750   0.9646  1510.39   71.391  1447.24   88.306  1629.52  121.296   38.583   1.1790   40.918   1.5271 -2.334839 1.929299 
1 1 1   -7   20   26 o   36.017   1.0866  1284.19   73.626  1356.99   94.791  1173.47  116.895   37.343   1.3077   34.692   1.7358 2.651157 2.173261 
1 1 1   -7   20   27 o   20.375   1.8937  449.797   64.898  515.212   80.021  324.083  110.933   22.960   1.7954   17.791   3.3347 5.169531 3.787324 
1 1 1   -7   20   28 o   50.078   0.9451  2435.79   87.876  2409.95  109.096  2483.53  148.290   49.738   1.1299   50.417   1.5152 -0.6796150 1.890126 
1 1 1   -7   20   29 o   32.492   1.1861  1016.17   70.637  978.788   85.950  1093.97  123.985   31.640   1.3994   33.343   1.9156 -1.703590 2.372280 
1 1 1   -7   20   30 o   22.945   1.5615  519.003   67.366  502.782   84.732  546.873  111.068   22.531   1.9373   23.358   2.4495 -0.8274879 3.123036 
1 1 1   -7   20   31 o   25.029   1.5980  647.990   72.599  692.221   90.176  566.510  122.392   26.441   1.7569   23.617   2.6697 2.824282 3.195977 
1 1 1   -7   20   32 o   16.378   2.5794  280.426   74.154  252.935   87.771  348.988  138.611   15.324   3.0578   17.433   4.1549 -2.108716 5.158796 
1 1 1   -7   20   33 f   10.094   2.7700   65.394   75.083   14.915   90.623  175.909  134.089   7.7859   3.3416   12.402   4.4189 -4.616149 5.540091 
1 1 1   -7   21    1 o   79.684   0.7901  6171.82  114.954  6188.30  140.551  6138.53  199.785   79.846   0.9068   79.522   1.2942 0.3243561 1.580290 
1 1 1   -7   21    2 o  118.209   0.9842 13580.33  215.415 13617.71  267.338 13511.14  363.741  118.444   1.1627  117.974   1.5883 0.4696960 1.968441 
1 1 1   -7   21    3 o  258.609   1.4341 64858.53  696.295 64643.57  878.556 65221.63  1141.81  258.044   1.7539  259.174   2.2695 -1.130371 2.868291 
1 1 1   -7   21    4 o   48.811   0.7043  2314.76   66.667  2388.84   93.337  2237.61   95.254   49.609   0.9692   48.013   1.0220 1.596146 1.408528 
1 1 1   -7   21    5 o  331.300   2.6114 106306.30  1625.56 105310.50  2050.61 107990.40  2666.63  329.262   3.2083  333.337   4.1211 -4.075165 5.222725 
1 1 1   -7   21    6 o  112.330   1.9679 12250.61  429.106 12250.61  429.106   0.0000   0.0000  112.330   1.9679  ?   ?       ?      ? 
1 1 1   -7   21    7 o  137.224   2.6185 18756.66  580.398 19143.06  661.897 17471.04  1207.34  140.404   2.4285  134.045   4.6400 6.359741 5.237076 
1 1 1   -7   21    8 o  117.485   3.0031 13389.15  683.782 12906.41  935.448 13943.02  1002.01  115.219   4.1824  119.751   4.3105 -4.531487 6.006109 
1 1 1   -7   21    9 o  137.619   1.5379 18358.33  408.888 18077.42  550.065 18705.24  611.277  136.447   2.0768  138.791   2.2689 -2.343781 3.075833 
1 1 1   -7   21   10 o  141.788   1.7412 19518.48  479.115 19221.27  668.790 19831.82  686.708  140.680   2.4490  142.896   2.4756 -2.215836 3.482311 
1 1 1   -7   21   11 o  216.859   1.4836 45682.34  618.482 45589.37  942.124 45752.75  819.891  216.656   2.2401  217.061   1.9458 -0.4054718 2.967232 
1 1 1   -7   21   12 o  163.824   1.2579 26061.60  400.011 26029.94  563.790 26093.69  567.632  163.724   1.7739  163.924   1.7839 -0.1999359 2.515753 
1 1 1   -7   21   13 o  152.031   1.2505 22446.58  369.019 22295.62  518.276 22601.81  525.544  151.513   1.7622  152.549   1.7747 -1.036102 2.500978 
1 1 1   -7   21   14 o   96.958   2.0780  9098.92  375.614  9301.70  628.734  8986.38  468.385   97.767   3.3129   96.150   2.5095 1.617599 4.156083 
1 1 1   -7   21   15 f  180.665   1.3377 31707.92  469.118 31785.73  663.400 31630.10  663.467  180.887   1.8893  180.443   1.8942 0.4437866 2.675316 
1 1 1   -7   21   16 o  186.675   1.3648 33863.55  494.532 33545.51  697.211 34185.55  701.557  185.792   1.9332  187.557   1.9269 -1.764847 2.729505 
1 1 1   -7   21   17 o   41.412   0.7303  1664.48   58.685  1640.71   81.550  1690.01   84.515   41.106   1.0220   41.718   1.0436 -0.6125565 1.460700 
1 1 1   -7   21   18 o   82.616   0.9566  6630.40  153.409  6625.91  216.005  6634.97  217.913   82.588   1.3474   82.644   1.3583 -0.5589294E-01 1.913225 
1 1 1   -7   21   19 o  104.870   1.1209 10688.50  228.177 10656.63  323.168 10720.19  322.215  104.714   1.5899  105.027   1.5805 -0.3126678 2.241757 
1 1 1   -7   21   20 o   88.004   0.9143  7484.30  150.223  7379.96  187.615  7670.70  250.761   87.166   1.1088   88.842   1.4540 -1.676338 1.828577 
1 1 1   -7   21   21 o  101.393   1.0195  9999.72  193.684 10020.93  244.028  9963.61  318.394  101.558   1.2378  101.229   1.6203 0.3281860 2.039017 
1 1 1   -7   21   22 o   33.160   4.0468  1484.33   78.648  1507.30   79.871  751.809  451.065   39.391   1.0445   26.929   8.0258 12.46186 8.093500 
1 1 1   -7   21   23 o   62.392   0.8435  3751.51   97.931  3674.48  121.602  3893.66  165.195   61.499   1.0186   63.284   1.3447 -1.784824 1.686974 
1 1 1   -7   21   24 o   51.967   0.8460  2636.56   81.867  2665.76  102.541  2585.22  135.960   52.377   1.0085   51.556   1.3585 0.8214798 1.691958 
1 1 1   -7   21   25 o   20.626   1.6640  437.181   62.080  487.579   77.906  349.513  102.752   22.369   1.7942   18.884   2.8030 3.484110 3.328040 
1 1 1   -7   21   26 o   99.514   1.1482  9558.76  208.591  9379.23  253.747  9932.93  366.322   98.158   1.3317  100.870   1.8708 -2.711563 2.296407 
1 1 1   -7   21   27 o   30.465   1.2721  931.164   70.362  980.322   86.822  837.099  120.102   31.710   1.4105   29.220   2.1174 2.489754 2.544209 
1 1 1   -7   21   28 o   29.734   1.2448  855.188   68.813  829.007   85.190  904.343  116.729   29.125   1.5068   30.343   1.9818 -1.218546 2.489554 
1 1 1   -7   21   29 o   32.075   1.1548  989.163   69.618  933.014   87.037  1088.89  115.997   30.872   1.4523   33.277   1.7957 -2.404568 2.309518 
1 1 1   -7   21   30 o   21.767   1.8900  525.020   69.991  630.062   88.949  354.250  113.414   25.238   1.8156   18.296   3.3153 6.941824 3.779927 
1 1 1   -7   21   31 o   32.836   1.3213  1061.35   77.617  1045.19   92.941  1098.62  141.103   32.574   1.4698   33.099   2.1962 -0.5245667 2.642637 
1 1 1   -7   21   32 o   39.081   1.2216  1523.26   86.817  1527.15  105.906  1515.27  151.587   39.335   1.3870   38.826   2.0113 0.5082932 2.443150 
1 1 1   -7   21   33 o   15.568   2.5579  302.731   75.475  354.645   91.042  188.650  134.960   18.468   2.5396   12.668   4.4409 5.799485 5.115793 
1 1 1   -7   22    1 o   71.534   0.7290  4902.88   94.484  4792.76  114.010  5144.35  168.827   70.269   0.8358   72.799   1.1947 -2.529732 1.458035 
1 1 1   -7   22    2 o  293.065   1.5095 83270.29  830.164 82922.72  1046.62 83859.92  1363.21  292.254   1.8449  293.875   2.3897 -1.620239 3.018930 
1 1 1   -7   22    3 o  182.583   1.2602 32345.74  429.452 32297.52  537.722 32430.68  713.618  182.401   1.5187  182.764   2.0115 -0.3630219 2.520380 
1 1 1   -7   22    4 o  177.578   1.2669 30718.01  420.787 31007.57  529.817 30223.32  692.494  178.721   1.5272  176.434   2.0219 2.286896 2.533860 
1 1 1   -7   22    5 o  111.666   1.0931 12134.24  228.349 12216.25  287.415 11993.87  376.023  112.181   1.3198  111.150   1.7428 1.031517 2.186148 
1 1 1   -7   22    6 o   53.126   3.1007  2886.99  118.085  2898.40  120.356  2593.15  610.765   54.643   1.1347   51.608   6.0967 3.035694 6.201375 
1 1 1   -7   22    7 o   93.494   2.6753  8366.93  269.280  8341.31  281.147  8651.34  936.712   92.694   1.5625   94.295   5.1174 -1.601479 5.350654 
1 1 1   -7   22    8 o   54.287   3.1428  2838.34  127.971  2836.05  130.509  2895.64  652.111   54.051   1.2438   54.523   6.1613 -0.4716492 6.285643 
1 1 1   -7   22    9 o   47.715   2.9233  1995.18   77.409  2453.28  563.019  1986.35   78.151   50.193   5.7785   45.237   0.8900 4.955647 5.846680 
1 1 1   -7   22   10 o  284.780   2.5502 78957.13  1256.34 79094.82  1474.44 78592.20  2400.30  285.340   2.6619  284.220   4.3506 1.120026 5.100336 
1 1 1   -7   22   11 o   72.065   0.8356  5033.02  116.228  5120.94  174.563  4963.00  155.777   72.629   1.2382   71.502   1.1223 1.127388 1.671132 
1 1 1   -7   22   12 o  143.045   1.2678 19854.96  350.124 20029.54  524.282 19714.43  470.389  143.608   1.8807  142.482   1.7007 1.125839 2.535640 
1 1 1   -7   22   13 o  127.375   1.1821 15752.75  292.236 15525.14  408.429 15991.50  418.317  126.433   1.6641  128.317   1.6794 -1.884163 2.364269 
1 1 1   -7   22   14 o   49.550   0.6772  2380.24   65.043  2442.38   94.947  2325.28   89.284   50.158   0.9752   48.941   0.9398 1.216793 1.354309 
1 1 1   -7   22   15 o   45.290   0.6821  1993.59   59.900  1929.48   85.916  2054.22   83.555   44.580   0.9928   46.000   0.9357 -1.419235 1.364283 
1 1 1   -7   22   16 o  129.453   1.2083 16282.80  303.629 16258.34  427.974 16307.59  430.833  129.355   1.7044  129.550   1.7132 -0.1950836 2.416600 
1 1 1   -7   22   17 o  100.365   1.9450  9808.27  378.901  9785.61  532.005  9831.61  539.773  100.249   2.7338  100.480   2.7674 -0.2313538 3.889987 
1 1 1   -7   22   18 o  153.692   1.3159 22964.26  392.575 23098.19  558.291 22833.27  552.130  154.135   1.8659  153.250   1.8560 0.8850403 2.631805 
1 1 1   -7   22   19 o   28.340   0.9167  779.212   50.337  848.261   72.563  715.160   69.888   29.549   1.2650   27.131   1.3270 2.418423 1.833374 
1 1 1   -7   22   20 o  109.599   1.8614 11898.09  262.681 11963.22  281.401 11456.87  732.442  110.962   1.3064  108.236   3.4861 2.726204 3.722829 
1 1 1   -7   22   21 o   81.326   0.8954  6467.41  136.329  6585.31  172.286  6269.96  222.964   82.337   1.0779   80.316   1.4301 2.020439 1.790842 
1 1 1   -7   22   22 o   71.674   0.8474  4977.54  113.329  4940.40  141.648  5043.61  188.913   71.315   1.0232   72.033   1.3510 -0.7183380 1.694766 
1 1 1   -7   22   23 f   96.798   1.0164  9133.39  184.427  9196.49  232.800  9027.05  302.219   97.272   1.2329   96.324   1.6163 0.9487152 2.032850 
1 1 1   -7   22   24 o   67.750   0.8781  4438.60  111.922  4366.98  141.233  4559.51  183.501   67.033   1.0854   68.467   1.3807 -1.433868 1.756232 
1 1 1   -7   22   25 f   21.845   1.5156  454.187   62.484  419.312   78.366  515.055  103.530   20.734   1.9471   22.956   2.3233 -2.221815 3.031281 
1 1 1   -7   22   26 o   59.184   0.9112  3405.12   99.893  3393.61  123.865  3426.54  168.942   59.068   1.0803   59.301   1.4676 -0.2327499 1.822325 
1 1 1   -7   22   27 o   19.090   2.0244  392.126   66.171  444.325   82.036  294.915  111.951   21.295   1.9845   16.885   3.5292 4.410221 4.048843 
1 1 1   -7   22   28 o   46.975   0.9552  2133.48   82.718  2089.43  101.602  2220.07  142.454   46.304   1.1304   47.647   1.5402 -1.343128 1.910487 
1 1 1   -7   22   29 o   38.942   1.0604  1501.19   76.529  1537.90   95.688  1436.03  127.488   39.670   1.2426   38.215   1.7186 1.454983 2.120748 
1 1 1   -7   22   30 o   20.772   1.8060  436.689   69.030  439.529   85.354  431.317  117.370   21.000   2.0938   20.543   2.9433 0.4574757 3.612048 
1 1 1   -7   22   31 o   12.937   2.5471  191.792   69.967  246.208   89.566  106.596  112.071   15.152   3.1480   10.723   4.0051 4.429502 5.094144 
1 1 1   -7   22   32 o   22.323   1.7797  483.132   74.106  415.165   90.786  618.844  128.287   20.195   2.3159   24.451   2.7029 -4.255835 3.559314 
1 1 1   -7   22   33 f   24.172   1.8639  589.665   81.060  552.381   96.714  677.699  148.611   23.243   2.1435   25.101   3.0499 -1.857962 3.727835 
1 1 1   -7   23    1 o  158.507   1.1940 24380.46  352.698 24353.34  440.768 24428.74  588.075  158.389   1.4336  158.624   1.9098 -0.2349396 2.388017 
1 1 1   -7   23    2 o   22.341   0.7628  491.947   28.473  499.375   32.905  469.812   56.804   22.682   0.7473   22.000   1.3301 0.6827049 1.525700 
1 1 1   -7   23    3 o  118.378   1.0262 13634.54  225.471 13710.08  280.808 13497.47  378.264  118.844   1.2172  117.913   1.6526 0.9310379 2.052491 
1 1 1   -7   23    4 o  125.717   1.0243 15482.09  226.703 15678.34  269.794 15010.67  418.153  127.090   1.0936  124.345   1.7324 2.744759 2.048673 
1 1 1   -7   23    5 o  170.840   1.4274 28421.49  437.600 28558.37  527.211 28118.32  784.622  171.515   1.5835  170.165   2.3753 1.349808 2.854767 
1 1 1   -7   23    6 o  214.170   3.6631 44576.36  1522.89 44576.36  1522.89   0.0000   0.0000  214.170   3.6631  ?   ?       ?      ? 
1 1 1   -7   23    7 o  295.424   5.0433 84912.22  2892.18 84912.22  2892.18   0.0000   0.0000  295.424   5.0433  ?   ?       ?      ? 
1 1 1   -7   23    8 o  323.141   2.6835 101448.20  1623.66 101337.20  2042.16 101638.90  2677.01  322.959   3.2575  323.322   4.2653 -0.3635559 5.366910 
1 1 1   -7   23    9 o  111.461   1.3961 12054.84  301.951 12443.72  433.922 11689.74  420.444  113.202   1.9747  109.719   1.9741 3.483109 2.792156 
1 1 1   -7   23   10 o  124.516   1.4088 15055.15  340.479 14994.96  477.204 15117.56  485.934  124.263   1.9783  124.769   2.0063 -0.5060120 2.817659 
1 1 1   -7   23   11 o  115.210   1.0315 12922.90  225.941 13066.68  292.292 12709.44  356.144  116.013   1.2979  114.408   1.6036 1.604988 2.063057 
1 1 1   -7   23   12 o  208.490   1.4820 42232.74  594.570 42198.51  902.016 42259.05  790.644  208.403   2.2297  208.578   1.9528 -0.1748657 2.963917 
1 1 1   -7   23   13 o   58.067   2.2725  3261.44  246.480  3351.18  411.194  3211.11  307.934   58.668   3.6106   57.466   2.7604 1.202023 4.544923 
1 1 1   -7   23   14 o  127.884   1.1533 15884.03  286.285 15944.71  403.875 15822.75  405.869  128.130   1.6238  127.639   1.6381 0.4916840 2.306521 
1 1 1   -7   23   15 o   51.438   0.7041  2570.34   70.251  2465.27   99.556  2674.56   99.146   50.390   1.0178   52.486   0.9731 -2.096088 1.408137 
1 1 1   -7   23   16 o  135.827   1.2638 17929.23  333.206 18093.84  472.239 17766.02  470.217  136.448   1.7829  135.206   1.7916 1.242569 2.527559 
1 1 1   -7   23   17 o  155.598   1.4271 23403.09  426.888 22596.78  561.629 24506.29  656.935  152.459   1.8977  158.736   2.1320 -6.277313 2.854225 
1 1 1   -7   23   18 o   61.966   2.3944  3754.37  286.506  3681.08  425.257  3815.29  387.703   61.392   3.5684   62.540   3.1936 -1.147858 4.788753 
1 1 1   -7   23   19 o   66.210   0.8560  4259.43  109.982  4133.83  155.482  4385.21  155.595   65.232   1.2279   67.188   1.1930 -1.955879 1.711997 
1 1 1   -7   23   20 o  153.183   1.4366 22835.01  427.179 22688.37  603.084 22982.67  605.166  152.689   2.0347  153.677   2.0286 -0.9883423 2.873225 
1 1 1   -7   23   21 o   35.492   0.7837  1206.30   53.100  1134.29   68.271  1316.56   84.480   34.173   1.0292   36.811   1.1822 -2.638912 1.567459 
1 1 1   -7   23   22 o   23.370   1.1469  523.894   51.649  468.183   68.275  598.432   78.974   21.938   1.6032   24.802   1.6404 -2.863279 2.293715 
1 1 1   -7   23   23 o   34.404   0.9155  1147.80   60.168  1134.65   78.188  1166.89   94.215   34.168   1.1788   34.641   1.4011 -0.4723969 1.831054 
1 1 1   -7   23   24 f   13.968   2.1408  202.822   56.647  235.946   73.742  155.135   88.479   15.539   2.4446   12.397   3.5151 3.142582 4.281607 
1 1 1   -7   23   25 o   32.994   1.0171  1053.91   63.473  1034.97   80.761  1084.49  102.656   32.619   1.2755   33.370   1.5848 -0.7510757 2.034292 
1 1 1   -7   23   26 o   58.886   0.8937  3386.09   98.699  3414.86  124.731  3337.91  161.423   59.246   1.0845   58.526   1.4209 0.7201385 1.787477 
1 1 1   -7   23   27 o   27.005   1.2550  683.431   63.944  593.765   79.782  844.485  106.925   24.646   1.6676   29.364   1.8758 -4.718641 2.509925 
1 1 1   -7   23   28 o   20.072   1.7214  408.925   64.803  448.381   84.270  351.828  101.373   21.347   2.0337   18.798   2.7780 2.548101 3.442853 
1 1 1   -7   23   29 o   22.508   1.4692  503.561   62.935  510.566   81.715  493.347   98.668   22.749   1.8505   22.268   2.2826 0.4809093 2.938461 
1 1 1   -7   23   30 f   18.847   1.9502  373.573   66.754  402.975   85.949  328.874  105.974   20.074   2.2057   17.620   3.2168 2.453588 3.900407 
1 1 1   -7   23   31 o   8.7302   2.5212   43.790   67.580   68.081   83.722  -1.6347  114.488   9.0368   3.4424   8.4236   3.6844 0.6132374 5.042300 
1 1 1   -7   23   32 o   26.546   1.6014  687.786   79.845  608.459   98.994  835.462  135.068   24.542   2.0779   28.549   2.4372 -4.006575 3.202773 
1 1 1   -7   23   33 o   8.9254   2.5787   54.724   73.102   94.253   89.192 -26.1631  127.589   9.6649   3.5803   8.1858   3.7123 1.479056 5.157452 
1 1 1   -7   24    1 o  225.182   1.3921 49553.01  588.080 50521.34  745.608 47959.02  956.624  228.122   1.6838  222.242   2.2174 5.879913 2.784243 
1 1 1   -7   24    2 o   86.682   0.8693  7304.51  135.999  7323.16  164.545  7264.30  241.600   86.859   0.9759   86.505   1.4388 0.3539200 1.738514 
1 1 1   -7   24    3 o  112.981   1.0048 12379.33  210.080 12351.16  260.220 12432.03  355.995  112.800   1.1884  113.163   1.6206 -0.3626251 2.009642 
1 1 1   -7   24    4 o  246.523   1.3909 58992.93  628.117 58963.35  769.937 59051.78  1086.09  246.446   1.6094  246.601   2.2688 -0.1554108 2.781706 
1 1 1   -7   24    5 o  217.793   1.6621 45876.68  657.140 45541.30  797.197 46587.71  1160.75  216.576   1.8962  219.009   2.7303 -2.433441 3.324191 
1 1 1   -7   24    6 o   94.705   2.8121  9387.94  303.303  9558.91  320.422  7914.94  940.504   99.227   1.6635   90.182   5.3725 9.045135 5.624139 
1 1 1   -7   24    7 o  296.899   2.5922 85552.55  1437.09 85253.15  1799.67 86079.42  2387.38  296.234   3.1296  297.564   4.1331 -1.329102 5.184311 
1 1 1   -7   24    8 f   92.890   1.5758  8377.13  284.137  8377.13  284.137   0.0000   0.0000   92.890   1.5758  ?   ?       ?      ? 
1 1 1   -7   24    9 o   61.770   0.8547  3703.85  102.364  3707.89  148.343  3700.18  141.434   61.802   1.2365   61.738   1.1801 0.6377029E-01 1.709300 
1 1 1   -7   24   10 o  222.081   2.0054 47970.94  862.900 48716.20  1189.58 47143.34  1253.58  223.912   2.7368  220.250   2.9321 3.662354 4.010896 
1 1 1   -7   24   11 o  323.021   1.6623 101380.40  1042.28 101527.00  1465.84 101230.50  1482.30  323.259   2.3360  322.782   2.3657 0.4765320 3.324666 
1 1 1   -7   24   12 o  179.096   1.9657 31074.23  679.673 32237.78  1023.32 30155.78  909.180  182.072   2.8954  176.121   2.6593 5.950668 3.931313 
1 1 1   -7   24   13 o  159.265   1.3861 24666.23  426.689 24366.65  631.309 24918.16  578.945  158.367   2.0536  160.163   1.8621 -1.796341 2.772134 
1 1 1   -7   24   14 o  127.171   1.2547 15716.49  309.272 15587.30  448.966 15833.15  426.640  126.670   1.8259  127.672   1.7215 -1.001350 2.509456 
1 1 1   -7   24   15 o   51.035   0.7009  2529.13   69.393  2406.11   97.628  2654.74   98.654   49.781   1.0103   52.290   0.9719 -2.509487 1.401898 
1 1 1   -7   24   16 o  133.137   1.2116 17226.28  313.114 17073.72  443.391 17378.04  442.232  132.548   1.7233  133.726   1.7036 -1.177979 2.423196 
1 1 1   -7   24   17 o  135.023   1.2235 17707.70  320.570 18273.24  460.620 17176.48  446.422  137.113   1.7306  132.934   1.7300 4.178375 2.447015 
1 1 1   -7   24   18 o   66.898   0.8317  4342.82  107.902  4437.60  156.591  4257.13  148.893   67.592   1.1935   66.205   1.1586 1.387230 1.663321 
1 1 1   -7   24   19 o   76.559   0.9448  5695.85  140.393  5618.41  199.180  5772.31  197.918   76.041   1.3494   77.077   1.3228 -1.036079 1.889613 
1 1 1   -7   24   20 o   40.303   0.8078  1580.33   63.090  1482.46   89.644  1676.38   88.806   39.064   1.1822   41.542   1.1012 -2.478973 1.615642 
1 1 1   -7   24   21 f   53.719   0.7567  2815.21   77.170  2862.06   99.696  2745.18  121.888   54.284   0.9461   53.154   1.1813 1.130035 1.513464 
1 1 1   -7   24   22 o   70.255   0.8391  4798.56  111.138  4804.12  141.305  4789.54  179.961   70.319   1.0352   70.190   1.3208 0.1287460 1.678129 
1 1 1   -7   24   23 o   59.915   0.8031  3481.99   91.348  3455.54  117.297  3522.76  145.620   59.635   1.0133   60.195   1.2462 -0.5600777 1.606173 
1 1 1   -7   24   24 o   34.022   0.9534  1122.53   62.594  1096.58   83.658  1155.54   94.347   33.580   1.2834   34.464   1.4103 -0.8839531 1.906810 
1 1 1   -7   24   25 o   23.225   1.2851  532.460   57.094  573.615   76.474  480.636   85.816   24.263   1.6237   22.188   1.9925 2.075191 2.570278 
1 1 1   -7   24   26 o   48.493   0.8733  2274.96   80.244  2223.83  102.329  2356.62  129.314   47.805   1.1027   49.180   1.3545 -1.374683 1.746630 
1 1 1   -7   24   27 o   14.024   2.1970  198.270   58.042  159.725   76.373  250.971   89.304   12.422   3.1598   15.627   3.0534 -3.205105 4.394067 
1 1 1   -7   24   28 o   66.545   0.9082  4319.83  113.172  4310.51  142.342  4335.85  186.592   66.498   1.1027   66.591   1.4435 -0.9305573E-01 1.816476 
1 1 1   -7   24   29 o   22.623   1.4921  503.649   64.730  481.076   84.417  535.860  100.842   22.045   1.9727   23.201   2.2391 -1.156096 2.984152 
1 1 1   -7   24   30 o   22.644   1.5318  514.916   66.007  526.697   85.950  497.978  103.058   23.030   1.9226   22.258   2.3853 0.7720966 3.063630 
1 1 1   -7   24   31 o   21.021   1.6868  439.435   67.982  392.463   88.099  508.575  106.885   19.692   2.3047   22.351   2.4635 -2.659191 3.373545 
1 1 1   -7   24   32 o   11.863   2.6794  153.589   68.697  131.857   88.666  186.227  108.659   10.983   3.6020   12.743   3.9678 -1.759779 5.358845 
1 1 1   -7   24   33 o   11.221   2.6754  143.610   74.778  200.151   96.395   58.170  118.496   13.086   3.6545   9.3558   3.9083 3.729745 5.350747 
1 1 1   -7   25    1 o  253.006   1.4612 61895.75  691.621 61198.34  866.636 63118.96  1147.75  251.065   1.7782  254.947   2.3192 -3.882172 2.922431 
1 1 1   -7   25    2 o  172.756   1.2652 28927.34  406.706 28806.72  506.879 29145.35  681.448  172.259   1.5159  173.253   2.0262 -0.9944916 2.530490 
1 1 1   -7   25    3 o  233.176   1.4324 52832.16  624.640 52939.83  784.911 52646.19  1031.53  233.513   1.7316  232.840   2.2822 0.6732483 2.864786 
1 1 1   -7   25    4 o  122.170   1.0129 14464.62  216.231 14432.83  255.090 14545.78  407.577  121.937   1.0777  122.402   1.7154 -0.4658356 2.025798 
1 1 1   -7   25    5 o   98.576   0.8900  9480.02  151.478  9536.82  177.740  9329.29  289.552   99.121   0.9237   98.030   1.5216 1.091057 1.780052 
1 1 1   -7   25    6 o   79.230   2.9479  6188.88  127.692  6192.55  129.026  6013.99  890.411   79.873   0.8322   78.586   5.8369 1.287460 5.895894 
1 1 1   -7   25    7 o  163.350   2.4556 26217.35  669.304 26494.25  772.174 25380.83  1342.12  165.163   2.4084  161.538   4.2801 3.624863 4.911174 
1 1 1   -7   25    8 o  129.442   2.4131 16140.99  452.009 16068.60  494.664 16507.25  1112.69  128.635   1.9810  130.248   4.4009 -1.612717 4.826183 
1 1 1   -7   25    9 o  137.901   1.6242 18464.37  434.772 18464.37  434.772   0.0000   0.0000  137.901   1.6242  ?   ?       ?      ? 
1 1 1   -7   25   10 f  134.911   1.3035 17683.71  327.042 17702.85  407.855 17649.22  547.336  135.025   1.5561  134.797   2.0917 0.2275238 2.607054 
1 1 1   -7   25   11 o   62.125   0.6897  3756.57   80.912  3789.52  103.342  3704.38  130.067   62.480   0.8521   61.771   1.0847 0.7089233 1.379359 
1 1 1   -7   25   12 o  115.494   1.1563 12951.39  258.471 13000.02  380.803 12909.84  351.963  115.692   1.6956  115.296   1.5726 0.3964157 2.312621 
1 1 1   -7   25   13 o   53.118   2.4915  2813.70  246.730  2483.31  396.087  3023.19  315.395   50.482   4.0419   55.753   2.9142 -5.270748 4.982943 
1 1 1   -7   25   14 o   95.680   1.0310  8874.17  190.986  9115.80  281.940  8669.27  259.627   96.879   1.4992   94.480   1.4156 2.399025 2.061936 
1 1 1   -7   25   15 o   46.154   0.6970  2068.23   62.380  1944.61   87.522  2195.86   88.932   44.752   1.0075   47.556   0.9634 -2.804043 1.393948 
1 1 1   -7   25   16 o   92.316   0.9940  8275.44  178.085  8426.86  255.288  8131.91  248.546   93.138   1.4120   91.494   1.3994 1.643784 1.988009 
1 1 1   -7   25   17 o  106.238   1.1026 10967.62  227.368 10839.34  321.039 11096.71  322.056  105.614   1.5659  106.862   1.5525 -1.247589 2.205106 
1 1 1   -7   25   18 o   20.856   1.0260  425.639   40.954  403.592   62.507  442.222   54.210   20.377   1.5803   21.335   1.3090 -0.9577923 2.051978 
1 1 1   -7   25   19 o  128.288   1.2862 15985.92  320.025 16489.58  464.655 15531.40  441.407  130.205   1.8384  126.371   1.7994 3.834015 2.572442 
1 1 1   -7   25   20 f   69.829   0.9031  4739.11  122.382  4663.93  173.961  4812.77  172.201   69.280   1.2935   70.379   1.2605 -1.098877 1.806108 
1 1 1   -7   25   21 o   52.798   0.7421  2667.08   74.416  2522.84   94.718  2899.71  120.284   50.965   0.9574   54.631   1.1342 -3.666145 1.484296 
1 1 1   -7   25   22 o   24.813   1.0398  594.240   49.894  540.078   67.267  660.482   74.391   23.565   1.4705   26.060   1.4705 -2.494770 2.079623 
1 1 1   -7   25   23 o   50.116   0.7939  2453.34   76.269  2524.19  101.064  2359.61  116.242   50.967   1.0215   49.265   1.2155 1.701542 1.587754 
1 1 1   -7   25   24 o   51.036   0.8306  2559.18   81.123  2725.70  108.285  2346.17  122.471   52.957   1.0534   49.115   1.2846 3.841518 1.661226 
1 1 1   -7   25   25 o   70.518   0.9046  4867.70  120.474  4965.81  154.375  4714.88  192.671   71.455   1.1130   69.581   1.4265 1.874229 1.809267 
1 1 1   -7   25   26 o   25.410   1.2298  614.963   59.871  528.540   77.565  742.352   94.171   23.259   1.7179   27.561   1.7602 -4.301527 2.459559 
1 1 1   -7   25   27 o   20.364   1.5629  400.808   60.952  365.198   78.769  453.949   96.225   19.271   2.1057   21.457   2.3103 -2.185909 3.125888 
1 1 1   -7   25   28 o   46.054   1.1521  2069.16  103.000  2069.16  103.000   0.0000   0.0000   46.054   1.1521  ?   ?       ?      ? 
1 1 1   -7   25   29 o   45.173   0.9203  2026.74   78.570  2136.45  101.884  1865.77  123.417   46.755   1.1226   43.590   1.4586 3.165192 1.840524 
1 1 1   -7   25   30 o   16.528   2.0822  285.699   64.546  296.683   86.184  271.668   97.406   17.113   2.5944   15.943   3.2575 1.169965 4.164405 
1 1 1   -7   25   31 o   10.789   2.5735  104.285   66.988   41.453   86.918  196.207  105.130   8.3714   3.4064   13.207   3.8586 -4.835878 5.147098 
1 1 1   -7   25   32 o   36.321   1.2012  1317.10   82.381  1311.82  105.002  1325.56  132.865   36.349   1.4881   36.293   1.8859 0.5595398E-01 2.402316 
1 1 1   -7   26    1 o  110.127   1.0105 11752.85  204.863 11708.64  252.210 11838.58  351.227  109.827   1.1830  110.428   1.6385 -0.6011581 2.020935 
1 1 1   -7   26    2 o  256.353   1.4668 63718.25  704.818 63460.68  887.078 64159.25  1160.74  255.665   1.7874  257.041   2.3263 -1.376923 2.933697 
1 1 1   -7   26    3 o  169.026   1.2470 27777.62  393.208 27883.26  492.689 27592.29  652.580  169.476   1.4976  168.576   1.9942 0.9001465 2.493939 
1 1 1   -7   26    4 o   39.737   0.7065  1531.18   44.526  1530.02   50.140  1535.50   96.842   39.703   0.6506   39.772   1.2544 -0.6882858E-01 1.413040 
1 1 1   -7   26    5 o  195.621   1.2987 37485.98  460.983 38105.95  562.382 36216.36  804.792  198.121   1.4623  193.121   2.1468 4.999527 2.597498 
1 1 1   -7   26    6 o   86.362   2.6325  6862.56  165.002  6833.42  167.911  7681.62  890.204   83.902   1.0310   88.821   5.1631 -4.918587 5.265007 
1 1 1   -7   26    7 o  214.051   2.3162 44778.94  737.772 44917.45  814.908 44149.45  1737.24  215.071   1.9519  213.031   4.2010 2.039383 4.632310 
1 1 1   -7   26    8 o   55.959   3.3571  3383.92  144.633  3417.03  148.096  2700.76  672.736   59.328   1.2859   52.590   6.5899 6.737865 6.714201 
1 1 1   -7   26    9 o   47.394   5.2557  2200.63  483.340  2180.14  691.267  2220.22  676.079   47.171   7.5493   47.616   7.3143 -0.4453888 10.51147 
1 1 1   -7   26   10 o  122.289   1.2988 14531.83  286.424 14543.65  346.139 14506.16  510.114  122.384   1.4570  122.194   2.1506 0.1895676 2.597650 
1 1 1   -7   26   11 o  110.096   0.9953 11796.79  209.129 11918.55  272.668 11622.83  325.910  110.793   1.2678  109.400   1.5347 1.392822 1.990625 
1 1 1   -7   26   12 o  200.322   1.3550 39006.99  526.558 40071.35  738.812 37908.21  750.659  203.105   1.8739  197.539   1.9576 5.565521 2.709937 
1 1 1   -7   26   13 o  184.715   1.4766 33115.36  525.270 33470.48  796.436 32841.98  698.793  185.578   2.2109  183.853   1.9580 1.724380 2.953239 
1 1 1   -7   26   14 o   69.690   0.8509  4709.87  114.884  4814.23  168.497  4619.20  157.048   70.409   1.2328   68.970   1.1730 1.439156 1.701709 
1 1 1   -7   26   15 o   99.074   1.0766  9531.67  206.429  9594.04  304.459  9478.59  280.840   99.370   1.5784   98.777   1.4647 0.5924683 2.153247 
1 1 1   -7   26   16 o   34.311   0.7070  1146.09   46.954  1095.32   68.108  1192.08   64.821   33.585   1.0447   35.038   0.9530 -1.453663 1.414097 
1 1 1   -7   26   17 o   57.524   0.7769  3211.55   86.629  3252.28  126.260  3175.32  119.080   57.868   1.1240   57.181   1.0728 0.6872139 1.553793 
1 1 1   -7   26   18 o   76.992   0.9349  5756.92  139.680  5854.42  200.726  5665.38  194.496   77.623   1.3321   76.361   1.3121 1.262268 1.869829 
1 1 1   -7   26   19 o   49.041   3.4789  2404.18  326.245  2087.70  482.499  2670.73  442.811   45.946   5.4098   52.135   4.3755 -6.188648 6.957741 
1 1 1   -7   26   20 o  120.977   1.2599 14232.24  295.693 14385.38  426.680 14090.73  410.156  121.599   1.8076  120.355   1.7556 1.243668 2.519835 
1 1 1   -7   26   21 o   62.821   0.7796  3838.90   93.675  3861.13  122.607  3807.73  145.189   63.045   1.0018   62.596   1.1949 0.4488716 1.559290 
1 1 1   -7   26   22 o   36.014   0.8369  1267.94   58.041  1331.54   78.542  1191.42   86.150   37.018   1.0930   35.010   1.2677 2.008625 1.673803 
1 1 1   -7   26   23 o   27.246   1.0807  716.120   56.910  645.003   76.530  804.096   85.119   25.745   1.5313   28.746   1.5254 -3.000568 2.161458 
1 1 1   -7   26   24 o   39.304   0.8850  1482.59   66.886  1366.50   87.603  1644.86  103.572   37.487   1.2039   41.121   1.2975 -3.634953 1.769974 
1 1 1   -7   26   25 f   71.526   0.9063  4986.11  122.115  5004.22  155.179  4956.67  197.903   71.723   1.1146   71.329   1.4293 0.3938217 1.812505 
1 1 1   -7   26   26 o   21.160   1.4714  439.970   60.088  447.913   81.176  430.342   89.369   21.385   1.9555   20.936   2.1990 0.4486732 2.942719 
1 1 1   -7   26   27 o   35.584   0.9822  1230.68   66.955  1201.95   87.397  1271.49  104.175   35.100   1.2827   36.069   1.4879 -0.9690933 1.964460 
1 1 1   -7   26   28 o   30.240   1.0900  889.370   63.684  783.759   86.108  1016.89   94.619   28.268   1.5692   32.211   1.5132 -3.942665 2.179980 
1 1 1   -7   26   29 o   55.379   0.8819  2985.31   92.864  2913.34  119.195  3096.47  148.132   54.582   1.1250   56.176   1.3584 -1.593555 1.763756 
1 1 1   -7   26   30 o   47.303   0.9173  2202.42   82.724  2225.98  107.678  2168.48  129.228   47.666   1.1637   46.940   1.4182 0.7257729 1.834579 
1 1 1   -7   26   31 o   48.078   0.9629  2267.18   88.753  2200.77  115.973  2361.05  137.882   47.287   1.2634   48.869   1.4535 -1.582199 1.925851 
1 1 1   -7   26   32 o   21.975   1.7145  506.437   71.503  547.537   94.628  451.741  109.163   23.196   2.1016   20.754   2.7096 2.441952 3.429068 
1 1 1   -7   27    1 o   83.136   0.8442  6672.81  128.866  6598.47  157.923  6820.95  222.932   82.448   0.9867   83.823   1.3701 -1.374512 1.688415 
1 1 1   -7   27    2 o  155.597   1.2109 23473.87  348.583 23401.19  431.585 23610.27  591.202  155.258   1.4320  155.936   1.9531 -0.6777039 2.421829 
1 1 1   -7   27    3 o   94.441   0.9262  8658.66  160.033  8659.34  195.952  8657.30  277.322   94.449   1.0688   94.432   1.5129 0.1705933E-01 1.852304 
1 1 1   -7   27    4 o  259.105   1.4538 65345.73  691.514 65665.55  850.674 64722.65  1187.35  260.063   1.6851  258.147   2.3695 1.916107 2.907537 
1 1 1   -7   27    5 o   67.156   0.7431  4356.49   80.306  4339.79   90.865  4416.06  171.644   66.866   0.7000   67.445   1.3110 -0.5797958 1.486219 
1 1 1   -7   27    6 o  222.088   2.2853 47457.61  750.542 47199.00  825.825 48685.20  1799.23  220.466   1.9297  223.711   4.1432 -3.244843 4.570520 
1 1 1   -7   27    7 o  113.666   2.4468 12903.23  295.159 12971.62  308.387 12156.93  1018.73  115.590   1.3744  111.742   4.6965 3.848701 4.893506 
1 1 1   -7   27    8 o  203.288   2.3729 39929.59  755.724 39753.72  846.625 40619.18  1676.45  202.304   2.1559  204.273   4.2278 -1.968216 4.745741 
1 1 1   -7   27    9 o  146.619   2.4186 21359.73  458.355 21515.83  491.526 20318.95  1269.21  148.846   1.7012  144.393   4.5282 4.452606 4.837177 
1 1 1   -7   27   10 o  113.248   1.1406 12480.93  239.028 12540.21  296.595 12371.10  403.736  113.643   1.3445  112.853   1.8430 0.7897491 2.281262 
1 1 1   -7   27   11 f  121.050   1.1891 14256.41  268.718 14322.61  337.086 14141.00  445.084  121.447   1.4298  120.652   1.9004 0.7949142 2.378215 
1 1 1   -7   27   12 o  234.645   1.4523 53483.95  661.408 52837.59  926.191 54156.58  944.834  233.199   2.0460  236.090   2.0616 -2.890869 2.904565 
1 1 1   -7   27   13 o  128.469   1.2667 16038.86  314.414 15996.00  467.562 16074.23  424.804  128.306   1.8773  128.632   1.7013 -0.3261566 2.533473 
1 1 1   -7   27   14 o   24.855   4.1020  678.489  190.199  423.471  342.402  792.294  228.734   21.236   7.0838   28.474   4.1382 -7.237844 8.203968 
1 1 1   -7   27   15 o   47.692   0.6932  2206.47   64.112  2252.00   93.147  2165.47   88.377   48.159   0.9964   47.225   0.9641 0.9336433 1.386440 
1 1 1   -7   27   16 o   59.942   0.7824  3492.77   90.957  3377.02  129.989  3603.82  127.319   58.967   1.1356   60.917   1.0767 -1.949940 1.564883 
1 1 1   -7   27   17 o   66.114   0.8553  4239.96  109.414  4318.71  162.015  4173.92  148.355   66.676   1.2518   65.553   1.1659 1.123375 1.710595 
1 1 1   -7   27   18 f   45.122   4.4768  2115.49  341.523  1896.48  622.578  2209.76  408.467   42.817   7.7770   47.428   4.4367 -4.611336 8.953530 
1 1 1   -7   27   19 o   20.042   1.1415  395.187   43.791  356.241   65.642  426.421   58.784   19.138   1.7669   20.946   1.4458 -1.807705 2.283030 
1 1 1   -7   27   20 o   54.939   0.8278  2929.76   87.852  2960.77  131.161  2904.54  118.313   55.200   1.2241   54.678   1.1147 0.5213432 1.655550 
1 1 1   -7   27   21 o   20.200   1.1791  397.648   46.167  416.453   64.717  378.163   65.879   20.689   1.6114   19.712   1.7217 0.9773865 2.358171 
1 1 1   -7   27   22 o   64.246   0.8247  4042.33  100.838  4177.92  131.571  3849.30  156.983   65.572   1.0337   62.921   1.2853 2.651024 1.649352 
1 1 1   -7   27   23 o   85.972   1.0002  7227.96  161.439  7342.34  204.723  7039.88  262.527   86.902   1.2136   85.042   1.5903 1.860390 2.000448 
1 1 1   -7   27   24 o   24.005   1.1774  559.517   54.767  527.046   74.815  597.007   80.390   23.258   1.6571   24.752   1.6731 -1.494637 2.354853 
1 1 1   -7   27   25 o   33.022   0.9845  1054.00   62.849  947.521   84.750  1184.11   93.683   31.183   1.4001   34.861   1.3844 -3.677980 1.968952 
1 1 1   -7   27   26 o   33.104   1.0225  1069.81   65.263  1072.70   87.428  1066.18   98.077   33.165   1.3580   33.044   1.5290 0.1218910 2.045023 
1 1 1   -7   27   27 o   41.348   0.8754  1681.61   69.678  1846.38   96.007  1498.24  101.282   43.522   1.1364   39.174   1.3319 4.348541 1.750808 
1 1 1   -7   27   28 o   21.946   1.3765  475.807   58.596  474.888   81.303  476.801   84.526   21.931   1.9098   21.961   1.9828 -0.2961159E-01 2.752933 
1 1 1   -7   27   29 o   17.439   1.9099  307.818   62.649  256.336   83.740  373.266   94.418   15.646   2.8626   19.232   2.5291 -3.585794 3.819824 
1 1 1   -7   27   30 o   10.384   2.5556  105.940   62.341   92.595   81.041  125.284   97.569   9.7483   3.4394   11.020   3.7808 -1.271776 5.111151 
1 1 1   -7   27   31 o   10.959   2.6611  127.910   68.000  132.335   89.064  121.726  105.295   11.048   3.6094   10.871   3.9113 0.1769428 5.322184 
1 1 1   -7   27   32 o   10.342   2.7148  105.405   72.302   76.468   94.784  145.675  111.813   9.2967   3.6305   11.387   4.0375 -2.090109 5.429693 
1 1 1   -7   28    1 o  150.774   1.2070 22151.39  337.578 22343.88  420.511 21802.47  566.145  151.707   1.4279  149.841   1.9464 1.865829 2.414009 
1 1 1   -7   28    2 o  226.823   1.4190 49985.94  601.968 50054.56  756.354 49867.36  994.246  227.051   1.7161  226.595   2.2604 0.4561462 2.837990 
1 1 1   -7   28    3 o   36.348   0.7330  1283.54   45.318  1284.64   52.661  1280.41   88.974   36.380   0.7457   36.317   1.2621 0.6228638E-01 1.465915 
1 1 1   -7   28    4 o  154.686   1.1970 23218.71  342.888 23185.80  425.202 23279.92  579.836  154.538   1.4174  154.834   1.9292 -0.2958221 2.393908 
1 1 1   -7   28    5 o  200.068   1.3250 38944.25  477.664 39073.07  577.238 38664.44  850.746  200.611   1.4823  199.524   2.1965 1.087692 2.649905 
1 1 1   -7   28    6 o  158.354   2.2452 23960.53  375.217 23882.35  390.971 24872.45  1335.28  156.844   1.2841  159.864   4.3029 -3.019836 4.490382 
1 1 1   -7   28    7 o   90.632   3.3464  8031.23  583.948  8249.07  783.795  7759.48  875.437   92.042   4.3868   89.222   5.0546 2.820190 6.692815 
1 1 1   -7   28    8 o   41.241   4.6489  2087.48   63.790  2094.80   64.097  1329.35  652.116   46.455   0.7108   36.028   9.2706 10.42727 9.297813 
1 1 1   -7   28    9 f   76.618   2.9186  6006.02  150.604  6025.89  153.139  5420.90  831.105   78.785   1.0013   74.451   5.7507 4.333679 5.837203 
1 1 1   -7   28   10 o   67.356   0.8840  4395.17  114.578  4479.06  174.637  4331.76  151.824   67.918   1.3246   66.795   1.1709 1.123070 1.767958 
1 1 1   -7   28   11 o   70.812   0.7351  4896.88   98.869  5013.87  128.095  4724.50  155.498   71.866   0.9182   69.758   1.1483 2.108574 1.470298 
1 1 1   -7   28   12 o   42.205   0.7920  1781.36   59.893  1590.67  104.706  1874.09   73.018   40.473   1.3327   43.937   0.8561 -3.464493 1.584021 
1 1 1   -7   28   13 o   37.571   0.6115  1371.94   44.549  1326.41   63.821  1415.21   62.213   36.962   0.8895   38.180   0.8394 -1.217846 1.223044 
1 1 1   -7   28   14 o   58.187   0.7532  3289.19   85.027  3165.52  120.404  3412.21  120.089   57.095   1.0864   59.279   1.0436 -2.184139 1.506428 
1 1 1   -7   28   15 o   92.620   1.0352  8326.20  185.609  8443.58  273.672  8226.22  252.576   93.221   1.5123   92.019   1.4140 1.201469 2.070402 
1 1 1   -7   28   16 o  109.795   1.1972 11721.05  254.456 11660.60  373.495 11773.40  347.608  109.524   1.7567  110.065   1.6270 -0.5404434 2.394397 
1 1 1   -7   28   17 o   66.877   0.8638  4349.06  112.016  4132.40  158.961  4562.77  157.873   65.219   1.2556   68.535   1.1867 -3.315582 1.727629 
1 1 1   -7   28   18 o  122.456   1.3405 14588.67  317.293 14575.96  470.910 14599.24  429.397  122.394   1.9820  122.518   1.8055 -0.1236420 2.681097 
1 1 1   -7   28   19 o   34.655   0.8120  1172.90   54.250  1104.06   80.130  1231.16   73.714   33.709   1.2246   35.601   1.0666 -1.892143 1.623966 
1 1 1   -7   28   20 o   74.520   0.9647  5403.16  139.080  5331.38  204.590  5464.84  189.638   74.054   1.4232   74.985   1.3028 -0.9310684 1.929480 
1 1 1   -7   28   21 o   43.465   0.7508  1842.08   62.519  1878.02   82.490  1793.58   95.832   43.969   0.9665   42.961   1.1491 1.007530 1.501521 
1 1 1   -7   28   22 o  116.439   1.2689 13103.72  271.856 12887.78  333.543 13531.07  469.213  115.087   1.4930  117.792   2.0521 -2.705582 2.537718 
1 1 1   -7   28   23 o   45.670   0.8289  2013.76   73.195  1872.89   98.313  2188.95  109.636   43.892   1.1539   47.449   1.1903 -3.556644 1.657803 
1 1 1   -7   28   24 o   48.538   0.8379  2306.60   78.227  2424.54  105.485  2162.48  116.607   49.934   1.0883   47.142   1.2743 2.791954 1.675714 
1 1 1   -7   28   25 o   27.876   1.0756  759.436   58.078  787.078   80.507  729.440   83.866   28.412   1.4597   27.341   1.5802 1.070776 2.151215 
1 1 1   -7   28   26 o   51.420   0.8621  2573.76   84.767  2557.92  110.587  2596.32  131.990   51.247   1.1117   51.594   1.3179 -0.3468246 1.724118 
1 1 1   -7   28   27 o   36.314   0.9376  1285.10   65.973  1243.82   90.053  1332.92   96.924   35.691   1.2998   36.938   1.3517 -1.247154 1.875289 
1 1 1   -7   28   28 o   28.091   1.1684  774.992   63.636  744.914   87.452  808.843   92.775   27.516   1.6373   28.665   1.6673 -1.149271 2.336746 
1 1 1   -7   28   29 o   26.599   1.2463  701.113   63.929  710.237   85.984  689.836   95.595   26.824   1.6513   26.374   1.8672 0.4494610 2.492665 
1 1 1   -7   28   30 o   36.888   1.0012  1343.76   71.303  1363.93   96.401  1319.40  105.948   37.226   1.3340   36.549   1.4933 0.6768837 2.002409 
1 1 1   -7   28   31 o   28.184   1.2843  795.373   69.847  794.619   93.850  796.308  104.575   28.217   1.7134   28.151   1.9137 0.6557465E-01 2.568613 
1 1 1   -7   28   32 o   15.068   2.6169  271.317   77.636  199.494  114.141  333.153  105.910   12.899   4.0743   17.237   3.2851 -4.338253 5.233731 
1 1 1   -7   29    1 o  199.313   1.3716 38585.59  510.269 38607.55  639.276 38547.03  847.067  199.406   1.6515  199.221   2.1904 0.1847382 2.743226 
1 1 1   -7   29    2 o   16.086   1.5460  289.206   35.837  313.709   40.606  202.882   76.216   17.976   1.1636   14.196   2.8646 3.780917 3.091942 
1 1 1   -7   29    3 o  109.420   0.9704 11628.68  183.419 11634.59  214.986 11612.88  351.620  109.478   1.0116  109.363   1.6563 0.1154404 1.940805 
1 1 1   -7   29    4 o   78.301   0.7928  5888.07  102.283  5832.28  116.722  6072.63  212.308   77.514   0.7757   79.088   1.3829 -1.573441 1.585608 
1 1 1   -7   29    5 o  184.206   1.2795 33226.38  424.824 33706.13  514.982 32204.52  751.586  186.323   1.4238  182.090   2.1263 4.233627 2.559011 
1 1 1   -7   29    6 o   64.768   1.6974  4158.69   85.404  4166.41   87.289  3985.78  413.180   65.516   0.6864   64.020   3.3247 1.495682 3.394855 
1 1 1   -7   29    7 o  185.344   2.3555 33384.10  596.271 33370.45  644.747 33464.80  1567.40  185.362   1.7919  185.325   4.3569 0.3689575E-01 4.711016 
1 1 1   -7   29    8 o   54.025   3.1308  2421.92   71.159  2412.64   71.527  3316.51  702.438   49.854   0.7391   58.197   6.2179 -8.342480 6.261686 
1 1 1   -7   29    9 o  137.051   2.4775 18117.66  394.750 18076.49  415.824 18493.15  1255.92  136.430   1.5701  137.671   4.6996 -1.240112 4.954914 
1 1 1   -7   29   10 o  144.666   1.3621 20364.99  357.128 20427.25  433.714 20233.89  629.373  145.033   1.5405  144.299   2.2469 0.7336578 2.724287 
1 1 1   -7   29   11 o  125.373   1.1286 15247.94  265.429 15194.34  334.501 15339.06  436.158  125.087   1.3776  125.659   1.7881 -0.5722809 2.257197 
1 1 1   -7   29   12 o  166.482   1.2376 26917.83  398.237 26808.60  538.302 27049.89  591.889  166.117   1.6693  166.847   1.8275 -0.7302551 2.475167 
1 1 1   -7   29   13 o  113.765   1.1735 12552.07  258.112 12834.10  384.412 12320.54  348.305  114.922   1.7232  112.609   1.5934 2.312943 2.346958 
1 1 1   -7   29   14 o  166.144   1.4475 26838.53  463.495 26864.32  698.648 26818.26  619.438  166.197   2.1656  166.091   1.9213 0.1061554 2.894979 
1 1 1   -7   29   15 o   83.846   0.9813  6830.26  159.422  6822.61  232.635  6837.04  218.905   83.799   1.4301   83.893   1.3442 -0.9349823E-01 1.962683 
1 1 1   -7   29   16 o   46.094   0.7090  2065.77   63.359  1998.86   90.996  2128.73   88.271   45.368   1.0333   46.820   0.9712 -1.452198 1.418075 
1 1 1   -7   29   17 o   79.869   0.9721  6168.55  150.141  6532.52  224.406  5873.58  202.017   81.990   1.4100   77.749   1.3385 4.240425 1.944139 
1 1 1   -7   29   18 o   38.666   0.7518  1441.78   56.118  1548.78   84.897  1358.75   74.788   39.930   1.0953   37.402   1.0301 2.528088 1.503548 
1 1 1   -7   29   19 o   62.931   0.8640  3849.43  105.291  3828.15  154.098  3868.06  144.201   62.765   1.2648   63.097   1.1773 -0.3313141 1.727933 
1 1 1   -7   29   20 o   28.044   0.9467  758.321   50.698  798.188   80.071  731.644   65.500   28.651   1.4397   27.437   1.2298 1.213490 1.893445 
1 1 1   -7   29   21 o   67.103   0.9396  4379.21  122.272  4137.54  172.236  4624.75  173.608   65.234   1.3602   68.973   1.2967 -3.739357 1.879188 
1 1 1   -7   29   22 o   59.686   0.8183  3459.47   93.277  3444.38  121.354  3481.26  145.816   59.535   1.0501   59.837   1.2554 -0.3021240 1.636635 
1 1 1   -7   29   23 o  130.587   1.4138 16698.01  341.647 16841.11  424.469 16434.75  575.710  131.489   1.6630  129.686   2.2869 1.802765 2.827620 
1 1 1   -7   29   24 o  120.501   1.3182 13943.47  289.997 13504.27  351.818 14874.38  512.200  117.708   1.5397  123.294   2.1401 -5.585968 2.636445 
1 1 1   -7   29   25 o   37.126   0.9086  1337.41   65.343  1247.67   89.146  1441.61   96.060   35.785   1.2833   38.466   1.2865 -2.680519 1.817107 
1 1 1   -7   29   26 o   29.724   1.0530  860.496   60.441  837.106   80.961  889.943   90.842   29.277   1.4246   30.170   1.5511 -0.8926353 2.106022 
1 1 1   -7   29   27 o   42.623   0.8613  1774.64   71.078  1939.00  101.338  1615.49   99.719   44.576   1.1711   40.670   1.2631 3.905956 1.722506 
1 1 1   -7   29   28 o   32.173   1.0194  1011.77   63.505  955.208   86.135  1079.14   93.998   31.197   1.4223   33.149   1.4608 -1.951988 2.038834 
1 1 1   -7   29   29 o   15.718   2.0534  258.074   60.967  295.012   86.061  220.859   86.382   17.065   2.5980   14.372   3.1805 2.693245 4.106730 
1 1 1   -7   29   30 o   11.039   2.5452  127.231   62.863  100.501   84.316  160.684   94.327   10.006   3.5100   12.071   3.6867 -2.065362 5.090351 
1 1 1   -7   29   31 o   18.348   1.9760  350.152   68.859  340.346   88.297  365.373  110.005   18.155   2.5054   18.542   3.0563 -0.3860779 3.951989 
1 1 1   -7   30    1 o   62.693   0.7469  3864.73   85.527  3966.24  105.269  3667.61  146.699   63.921   0.8484   61.464   1.2295 2.457352 1.493819 
1 1 1   -7   30    2 o   7.7892   2.1275   22.617   39.015   7.8349   43.896   78.221   85.134   5.7812   2.3938   9.7972   3.5178 -4.016020 4.254977 
1 1 1   -7   30    3 o  175.361   1.2570 29810.42  393.343 29730.26  470.910 29995.43  715.405  174.990   1.3863  175.732   2.0972 -0.7422638 2.513969 
1 1 1   -7   30    4 o   61.762   0.7422  3681.28   80.121  3653.37   94.408  3753.14  151.480   61.349   0.7928   62.175   1.2551 -0.8268242 1.484483 
1 1 1   -7   30    5 o   17.085   1.3473  274.110   24.180  272.386   25.166  294.839   87.270   16.751   0.7739   17.418   2.5811 -0.6665096 2.694636 
1 1 1   -7   30    6 o  163.740   1.6233 25927.12  438.226 25816.41  500.896 26288.38  904.808  163.047   1.5826  164.432   2.8347 -1.385376 3.246540 
1 1 1   -7   30    7 o  130.103   1.6847 16875.40  332.516 17142.13  370.563 15772.89  753.383  132.865   1.4368  127.341   3.0478 5.524071 3.369457 
1 1 1   -7   30    8 o   88.829   2.7068  7726.84  182.077  7730.44  185.827  7640.34  910.823   89.233   1.0728   88.426   5.3063 0.8072891 5.413653 
1 1 1   -7   30    9 o  131.865   2.6208 17585.38  391.768 17743.80  412.631 16136.52  1247.86  135.170   1.5726  128.561   5.0002 6.608276 5.241691 
1 1 1   -7   30   10 o   62.689   0.7628  3810.07   92.686  3909.58  135.526  3722.64  127.041   63.457   1.1002   61.922   1.0569 1.535023 1.525619 
1 1 1   -7   30   11 o   12.149   0.9766  144.936   22.744  130.673   33.897  156.617   30.674   11.599   1.5055   12.700   1.2443 -1.100797 1.953151 
1 1 1   -7   30   12 o   51.746   0.6134  2604.91   60.824  2633.45   80.094  2566.02   93.487   52.082   0.7922   51.409   0.9368 0.6735649 1.226867 
1 1 1   -7   30   13 o   77.028   0.7936  5803.67  116.004  5971.99  150.279  5555.51  182.476   78.424   0.9871   75.631   1.2429 2.793236 1.587225 
1 1 1   -7   30   14 o   36.812   3.5330  1435.06  223.750  1108.86  378.047  1610.94  277.590   33.003   6.1265   40.620   3.5204 -7.616940 7.065973 
1 1 1   -7   30   15 o   56.275   0.7473  3077.61   81.570  2942.95  115.683  3210.76  115.034   55.049   1.0826   57.500   1.0306 -2.451820 1.494687 
1 1 1   -7   30   16 o   33.671   0.6999  1098.77   45.519  1123.18   68.158  1079.12   61.157   34.007   1.0325   33.335   0.9451 0.6719856 1.399726 
1 1 1   -7   30   17 o   89.711   1.0646  7817.80  185.083  7902.28  270.390  7743.33  253.882   90.164   1.5449   89.259   1.4653 0.9046936 2.129229 
1 1 1   -7   30   18 o   51.849   0.7997  2611.77   80.097  2609.61  119.262  2613.54  108.106   51.827   1.1854   51.871   1.0736 -0.4362106E-01 1.599371 
1 1 1   -7   30   19 o   22.967   1.0897  505.466   48.092  619.101   72.613  416.671   64.188   25.234   1.4824   20.699   1.5975 4.535421 2.179316 
1 1 1   -7   30   20 o   31.166   0.9268  946.450   55.711  923.724   83.094  965.008   75.087   30.822   1.3888   31.510   1.2276 -0.6874409 1.853587 
1 1 1   -7   30   21 o   42.621   0.8741  1760.46   71.861  1814.44  108.573  1718.38   95.862   43.197   1.2948   42.045   1.1745 1.152161 1.748144 
1 1 1   -7   30   22 o   86.063   0.9878  7236.36  159.261  7326.66  201.158  7084.69  260.709   86.811   1.1937   85.314   1.5742 1.497589 1.975638 
1 1 1   -7   30   23 o   77.582   1.1548  5852.92  173.914  5852.92  173.914   0.0000   0.0000   77.582   1.1548  ?   ?       ?      ? 
1 1 1   -7   30   24 o   62.512   0.8660  3826.31  103.431  3938.74  135.947  3671.80  159.379   63.626   1.1007   61.397   1.3373 2.229038 1.731994 
1 1 1   -7   30   25 o   33.798   1.3318  1113.68   87.374  1113.68   87.374   0.0000   0.0000   33.798   1.3318  ?   ?       ?      ? 
1 1 1   -7   30   26 o   58.167   0.8617  3269.00   95.745  3136.71  123.678  3466.86  151.256   56.733   1.1230   59.601   1.3074 -2.867954 1.723479 
1 1 1   -7   30   27 o   28.274   1.0887  784.021   59.724  751.377   83.913  817.532   85.022   27.674   1.5621   28.875   1.5168 -1.201414 2.177348 
1 1 1   -7   30   28 o   12.766   2.2289  174.643   56.540  115.689   79.960  233.596   79.958   10.602   3.4167   14.930   2.8631 -4.327810 4.457714 
1 1 1   -7   30   29 o   29.172   1.1460  841.443   64.839  848.675   90.086  833.669   93.396   29.314   1.5831   29.030   1.6574 0.2843456 2.291985 
1 1 1   -7   30   30 o   31.263   1.1963  977.985   71.875  1018.03   96.390  927.834  107.871   32.050   1.5493   30.477   1.8234 1.573664 2.392687 
1 1 1   -7   30   31 o   36.351   1.0961  1301.35   76.635  1214.95  100.559  1421.05  118.360   34.967   1.4815   37.734   1.6159 -2.766750 2.192228 
1 1 1   -7   31    1 o   92.857   0.9254  8267.15  156.107  8082.29  188.841  8666.12  277.424   91.243   1.0662   94.471   1.5128 -3.227287 1.850762 
1 1 1   -7   31    2 o  185.455   1.3462 33358.31  463.855 33242.01  577.161 33570.45  779.515  185.018   1.6070  185.891   2.1602 -0.8731537 2.692411 
1 1 1   -7   31    3 o   69.334   0.7570  4635.75   85.256  4610.22   96.793  4724.12  180.066   68.916   0.7235   69.753   1.3299 -0.8371353 1.513940 
1 1 1   -7   31    4 o   81.124   0.8230  6437.56  111.312  6484.14  128.254  6295.33  224.091   81.729   0.8084   80.518   1.4337 1.211044 1.645923 
1 1 1   -7   31    5 o   59.892   0.7242  3500.18   76.915  3526.47   91.883  3438.60  140.598   60.273   0.7853   59.511   1.2171 0.7615776 1.448443 
1 1 1   -7   31    6 o  153.384   1.6813 23110.33  417.285 23312.97  474.733 22421.75  875.107  154.936   1.5785  151.832   2.9692 3.104431 3.362652 
1 1 1   -7   31    7 o   76.524   2.2076  5659.97  326.812  5106.32  443.173  6319.96  483.866   72.447   3.1513   80.602   3.0926 -8.154434 4.415253 
1 1 1   -7   31    8 f   92.475   2.1765  8299.14  389.583  8076.06  528.318  8565.01  576.773   91.122   2.9868   93.828   3.1667 -2.705681 4.353044 
1 1 1   -7   31    9 o   10.628   2.1119  136.098   26.548  142.787   27.002 -57.8059  145.386   12.127   1.1470   9.1293   4.0651 2.997666 4.223844 
1 1 1   -7   31   10 o  138.298   1.1632 18615.38  309.268 18848.14  411.316 18312.62  469.101  139.303   1.5211  137.294   1.7602 2.009827 2.326326 
1 1 1   -7   31   11 o  127.558   1.1542 15829.98  277.603 15899.95  353.273 15717.04  448.849  127.943   1.4224  127.174   1.8182 0.7686768 2.308480 
1 1 1   -7   31   12 f   98.975   0.9963  9529.38  183.447  9563.62  229.039  9468.12  306.390   99.235   1.1890   98.714   1.5989 0.5204544 1.992558 
1 1 1   -7   31   13 o   20.839   0.7194  422.032   29.079  434.678   40.755  408.917   41.503   21.158   0.9923   20.521   1.0419 0.6369915 1.438826 
1 1 1   -7   31   14 o   69.322   0.8508  4668.37  114.425  4641.29  164.428  4693.79  159.335   69.126   1.2254   69.518   1.1807 -0.3917465 1.701665 
1 1 1   -7   31   15 o   44.918   0.6930  1958.10   60.157  1972.83   89.536  1945.98   81.219   45.071   1.0234   44.766   0.9346 0.3055229 1.385952 
1 1 1   -7   31   16 o   44.552   0.7008  1927.19   60.407  1933.84   89.228  1921.57   82.077   44.622   1.0301   44.483   0.9505 0.1396027 1.401658 
1 1 1   -7   31   17 o   20.917   1.0264  425.369   41.330  424.290   62.580  426.203   55.042   20.892   1.5431   20.943   1.3539 -0.5080032E-01 2.052890 
1 1 1   -7   31   18 o   97.266   1.2223  9200.53  230.728  9287.65  330.449  9117.65  322.302   97.713   1.7421   96.818   1.7149 0.8950653 2.444582 
1 1 1   -7   31   19 o  101.796   1.2762 10085.09  252.150 10103.18  359.237 10067.52  354.007  101.884   1.8164  101.707   1.7931 0.1763687 2.552328 
1 1 1   -7   31   20 o   68.014   0.9374  4496.86  123.645  4503.06  178.908  4491.19  171.074   68.056   1.3542   67.971   1.2966 0.8502960E-01 1.874845 
1 1 1   -7   31   21 o   41.804   0.8964  1714.36   72.074  1541.64  105.710  1864.40   98.526   39.812   1.3678   43.795   1.1589 -3.982746 1.792799 
1 1 1   -7   31   22 o   17.651   1.5290  304.641   52.296  321.585   73.409  287.180   74.519   18.153   2.0832   17.148   2.2387 1.005676 3.057997 
1 1 1   -7   31   23 o   82.586   0.9715  6584.30  149.964  6439.94  187.246  6842.55  250.437   81.366   1.1855   83.807   1.5394 -2.441124 1.942991 
1 1 1   -7   31   24 o   39.541   0.9082  1504.58   69.284  1350.67   92.088  1705.36  105.178   37.239   1.2739   41.842   1.2949 -4.602497 1.816492 
1 1 1   -7   31   25 o   20.882   1.4321  429.314   57.837  468.144   81.403  389.729   82.191   21.850   1.9192   19.914   2.1262 1.936745 2.864282 
1 1 1   -7   31   26 o   50.819   0.8489  2497.37   82.956  2370.65  108.937  2672.29  127.987   49.310   1.1381   52.327   1.2600 -3.016769 1.697891 
1 1 1   -7   31   27 o   26.618   1.2009  698.398   61.220  557.027   84.667  853.304   88.627   23.760   1.8357   29.477   1.5489 -5.717077 2.401851 
1 1 1   -7   31   28 f   13.169   2.3224  186.210   59.163  188.269   84.393  184.220   82.963   13.238   3.2966   13.101   3.2720 0.1372414 4.644742 
1 1 1   -7   31   29 o   9.9760   2.3041   86.328   61.660  178.413   82.823 -28.1756   92.356   12.803   3.3087   7.1494   3.2076 5.653369 4.608230 
1 1 1   -7   31   30 o   7.8721   2.3576   17.234   63.242   43.876   86.575 -13.2483   92.604   8.3828   3.4041   7.3614   3.2628 1.021395 4.715254 
1 1 1   -7   31   31 o   40.852   1.1909  1668.86   94.056  1720.42  140.287  1626.77  126.769   41.374   1.7467   40.330   1.6193 1.044586 2.381819 
1 1 1   -7   32    1 o   44.179   0.7559  1844.37   57.228  1790.28   66.302  2002.42  113.336   42.945   0.7953   45.413   1.2857 -2.467880 1.511776 
1 1 1   -7   32    2 o   71.772   0.8103  4987.83  105.218  4964.56  127.332  5037.93  186.826   71.512   0.9173   72.031   1.3361 -0.5185852 1.620690 
1 1 1   -7   32    3 o  130.533   1.0881 16635.64  249.242 16756.15  295.574 16339.05  463.684  131.371   1.1590  129.695   1.8418 1.676666 2.176119 
1 1 1   -7   32    4 o  136.000   1.1227 18035.33  272.769 18149.65  327.585 17776.87  492.564  136.722   1.2343  135.278   1.8757 1.443558 2.245406 
1 1 1   -7   32    5 o  114.719   1.0462 12734.02  219.241 12644.99  267.563 12915.91  382.468  114.121   1.2078  115.317   1.7086 -1.195862 2.092378 
1 1 1   -7   32    6 o  122.267   1.6981 14821.20  300.231 14971.15  329.721 14093.66  726.283  124.169   1.3679  120.365   3.1084 3.804512 3.396119 
1 1 1   -7   32    7 o  184.061   1.7503 33328.47  553.192 33797.99  648.452 32073.25  1060.26  186.535   1.7908  181.587   3.0079 4.948700 3.500635 
1 1 1   -7   32    8 o  142.242   1.7347 19923.07  384.644 20099.36  431.609 19242.72  847.915  143.859   1.5456  140.626   3.1062 3.233307 3.469433 
1 1 1   -7   32    9 o  154.033   1.5180 23535.00  419.749 24366.01  510.054 21791.26  738.848  158.377   1.6591  149.690   2.5427 8.686722 3.036092 
1 1 1   -7   32   10 o  133.231   1.1599 17247.96  296.480 17261.60  390.666 17229.43  455.283  133.303   1.5097  133.159   1.7614 0.1443787 2.319837 
1 1 1   -7   32   11 o  110.057   1.0210 11831.85  214.356 12140.65  280.469 11398.13  332.392  111.803   1.2923  108.311   1.5809 3.491539 2.041910 
1 1 1   -7   32   12 o   65.110   0.7210  4118.58   88.690  4125.65  113.155  4107.32  142.811   65.186   0.8942   65.034   1.1312 0.1517792 1.442009 
1 1 1   -7   32   13 o   67.045   0.7364  4383.06   93.300  4445.50  119.490  4285.53  149.337   67.664   0.9097   66.427   1.1581 1.236893 1.472714 
1 1 1   -7   32   14 o   40.514   0.6568  1597.39   51.512  1534.81   74.770  1653.93   71.069   39.756   0.9689   41.272   0.8871 -1.515511 1.313613 
1 1 1   -7   32   15 o   44.695   0.6892  1939.58   59.410  1944.19   89.311  1935.92   79.568   44.742   1.0283   44.649   0.9180 0.9233093E-01 1.378487 
1 1 1   -7   32   16 o   39.260   0.6961  1486.44   52.702  1584.49   80.182  1411.87   69.930   40.391   1.0227   38.129   0.9448 2.261776 1.392296 
1 1 1   -7   32   17 o   78.740   0.9837  5990.25  149.303  6314.43  227.201  5743.86  198.076   80.599   1.4522   76.881   1.3272 3.718422 1.967309 
1 1 1   -7   32   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   32   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   32   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   32   21 o   47.089   0.8558  2141.17   77.482  2257.55  119.302  2056.27  101.896   48.184   1.2755   45.994   1.1413 2.189823 1.711542 
1 1 1   -7   32   22 o   18.877   1.4734  354.092   51.344  497.716   74.556  224.532   70.812   22.602   1.6993   15.152   2.4076 7.450198 2.946877 
1 1 1   -7   32   23 o   9.2582   2.2733   69.271   52.781   22.889   74.439  116.165   74.849   7.7167   3.1476   10.800   3.2809 -3.082999 4.546615 
1 1 1   -7   32   24 o   70.574   0.8906  4890.44  119.414  5053.37  155.272  4654.58  186.825   72.053   1.1101   69.095   1.3929 2.958076 1.781181 
1 1 1   -7   32   25 o   63.611   0.8665  3952.61  105.358  3988.38  137.846  3902.34  163.386   63.984   1.1098   63.238   1.3310 0.7454567 1.732976 
1 1 1   -7   32   26 o   27.057   1.1289  716.979   59.212  665.400   82.551  771.632   84.977   26.050   1.6325   28.065   1.5598 -2.014896 2.257887 
1 1 1   -7   32   27 o   34.430   0.9935  1167.56   66.103  1270.30   92.394  1059.84   94.613   36.009   1.3218   32.851   1.4837 3.157543 1.987068 
1 1 1   -7   32   28 o   36.408   0.9512  1299.77   66.975  1284.49   90.672  1318.12   99.356   36.189   1.2907   36.627   1.3974 -0.4378090 1.902323 
1 1 1   -7   32   29 o   37.003   1.0210  1351.66   73.275  1360.27  101.785  1342.40  105.572   37.139   1.4118   36.867   1.4752 0.2714348 2.041920 
1 1 1   -7   32   30 o   11.495   2.6043  146.563   65.793  151.616   92.653  141.423   93.442   11.662   3.6692   11.328   3.6969 0.3344269 5.208658 
1 1 1   -7   32   31 o   30.054   1.5160  943.155   86.482  771.156  127.011  1091.82  118.083   27.247   2.4013   32.861   1.8511 -5.614035 3.032008 
1 1 1   -7   33    1 o  122.910   1.1056 14697.95  251.135 14759.42  311.125 14583.00  425.435  123.290   1.3000  122.529   1.7887 0.7611618 2.211173 
1 1 1   -7   33    2 f   79.221   0.8540  6077.07  123.156  6046.50  149.875  6140.61  216.110   78.920   0.9783   79.522   1.4000 -0.6022644 1.707937 
1 1 1   -7   33    3 o   45.529   0.7434  2055.74   50.145  2080.19   55.444  1945.85  117.545   46.293   0.6170   44.765   1.3527 1.527485 1.486745 
1 1 1   -7   33    4 o   31.677   1.0955  975.822   67.087  990.425   91.221  958.620   99.006   31.936   1.4715   31.417   1.6234 0.5186996 2.191037 
1 1 1   -7   33    5 o   69.490   1.8152  4707.60  117.842  4709.50  121.673  4678.90  473.331   69.651   0.8999   69.329   3.5171 0.3216629 3.630383 
1 1 1   -7   33    6 o   89.865   2.2321  7884.54  387.615  8205.02  530.498  7517.48  567.735   91.843   2.9756   87.887   3.3278 3.956314 4.464129 
1 1 1   -7   33    7 o  141.086   2.5141 19505.91  396.007 19532.70  415.547 19241.06  1306.77  141.817   1.5095  140.356   4.7963 1.461075 5.028181 
1 1 1   -7   33    8 o   34.474   3.4195  1173.06  226.637  1298.95  312.105  1032.63  329.637   36.471   4.4085   32.478   5.2286 3.993279 6.839079 
1 1 1   -7   33    9 o   95.658   1.4925  9302.40  206.280  9518.47  227.302  8293.66  491.122   99.004   1.1827   92.312   2.7407 6.692749 2.985045 
1 1 1   -7   33   10 o   92.010   1.5566  8837.71  200.561  9135.35  220.046  7376.81  487.497   96.989   1.1688   87.031   2.8856 9.958214 3.113293 
1 1 1   -7   33   11 o   75.712   0.8023  5597.19  113.561  5682.54  143.135  5452.20  186.559   76.501   0.9639   74.923   1.2827 1.578102 1.604502 
1 1 1   -7   33   12 o   61.156   0.6789  3639.06   78.388  3663.76  100.035  3599.77  126.174   61.429   0.8389   60.884   1.0676 0.5452271 1.357762 
1 1 1   -7   33   13 o   61.635   0.6865  3711.34   80.389  3804.29  104.262  3575.09  126.238   62.595   0.8581   60.674   1.0718 1.921070 1.372986 
1 1 1   -7   33   14 o  101.065   1.1602  9928.02  226.723  9944.65  335.911  9914.12  307.270  101.135   1.7110  100.994   1.5673 0.1413879 2.320368 
1 1 1   -7   33   15 o   46.555   0.7088  2093.28   63.589  2198.05   96.851  2013.89   84.306   47.572   1.0488   45.538   0.9537 2.033848 1.417566 
1 1 1   -7   33   16 o   32.576   0.7635  1041.03   47.487  967.940   72.635  1095.59   62.757   31.565   1.1854   33.587   0.9626 -2.022295 1.527009 
1 1 1   -7   33   17 o   60.312   0.8386  3530.11   98.024  3602.80  143.327  3466.23  134.362   60.893   1.2125   59.731   1.1588 1.162525 1.677227 
1 1 1   -7   33   18 o  100.122   1.2572  9755.86  244.321  9713.15  346.897  9797.89  344.163   99.903   1.7888  100.341   1.7669 -0.4381180 2.514310 
1 1 1   -7   33   19 o   78.143   1.0275  5937.31  155.848  5821.27  218.940  6056.50  221.895   77.369   1.4578   78.918   1.4485 -1.548660 2.055038 
1 1 1   -7   33   20 o   77.634   1.0343  5841.31  155.436  6160.04  230.418  5575.14  210.562   79.566   1.4918   75.702   1.4329 3.864304 2.068509 
1 1 1   -7   33   21 o   20.232   1.4605  421.875   54.187  300.234   82.981  512.304   71.548   17.525   2.4392   22.939   1.6068 -5.413746 2.920906 
1 1 1   -7   33   22 o   10.721   2.2882  114.066   51.704  123.971   73.332  104.273   72.912   11.101   3.2168   10.342   3.2551 0.7593279 4.576412 
1 1 1   -7   33   23 o   40.436   0.8509  1584.35   66.390  1529.05   88.506  1655.50  100.393   39.638   1.1503   41.234   1.2543 -1.595909 1.701852 
1 1 1   -7   33   24 o   29.476   1.0343  847.142   59.150  886.098   84.971  810.516   82.390   30.134   1.4526   28.818   1.4728 1.315979 2.068651 
1 1 1   -7   33   25 o   41.328   0.8778  1659.00   70.249  1568.83   95.326  1766.17  103.924   40.107   1.2244   42.549   1.2582 -2.441990 1.755657 
1 1 1   -7   33   26 o   10.626   2.3817  113.210   56.113   83.958   79.898  141.683   78.825   9.6087   3.4123   11.643   3.3235 -2.034396 4.763384 
1 1 1   -7   33   27 o   54.106   0.8577  2844.69   88.902  2740.20  115.746  2995.01  138.832   52.936   1.1264   55.277   1.2938 -2.340790 1.715457 
1 1 1   -7   33   28 o   7.4892   2.2230   7.0585   56.540   50.614   80.687 -34.9606   79.252   8.4955   3.3402   6.4830   2.9342 2.012511 4.445971 
1 1 1   -7   33   29 o   38.504   1.0160  1464.71   75.722  1468.68  103.368  1460.12  111.238   38.586   1.3800   38.422   1.4914 0.1644478 2.031972 
1 1 1   -7   33   30 o   18.850   1.9155  373.731   69.469  404.481   95.273  338.824  101.510   19.792   2.4798   17.908   2.9201 1.884005 3.830935 
1 1 1   -7   34    1 o   92.609   0.9407  8262.60  158.373  8144.90  192.057  8512.70  279.964   91.593   1.0802   93.625   1.5404 -2.031631 1.881426 
1 1 1   -7   34    2 o   93.469   0.8981  8586.03  143.946  8706.51  168.591  8261.92  276.517   94.702   0.9171   92.235   1.5444 2.466789 1.796164 
1 1 1   -7   34    3 o  212.927   1.3941 44100.08  536.513 44193.97  649.857 43899.08  950.800  213.321   1.5693  212.534   2.3046 0.7868958 2.788197 
1 1 1   -7   34    4 o   70.046   0.7529  4767.85   88.129  4772.05  101.486  4754.99  177.718   70.114   0.7457   69.978   1.3083 0.1356506 1.505858 
1 1 1   -7   34    5 o   23.102   3.3508  799.747   43.932  811.750   44.365  194.692  314.987   28.917   0.7904   17.286   6.6548 11.63081 6.701562 
1 1 1   -7   34    6 o  132.775   1.8182 17743.32  355.337 18080.65  392.974 16231.00  832.065  136.442   1.4837  129.107   3.3200 7.334778 3.636474 
1 1 1   -7   34    7 o   41.455   2.3883  1654.53   54.686  1653.68   55.255  1695.06  382.009   41.274   0.6897   41.636   4.7265 -0.3618279 4.776592 
1 1 1   -7   34    8 f   68.742   2.2108  5275.73  133.454  5369.67  137.916  3893.89  528.954   74.367   0.9554   63.117   4.3172 11.24978 4.421660 
1 1 1   -7   34    9 o  108.748   1.8998 11965.17  260.018 12114.11  278.013 10925.14  734.667  111.681   1.2824  105.816   3.5766 5.865608 3.799588 
1 1 1   -7   34   10 o   47.702   1.6482  2170.26   65.139  2165.72   66.724  2262.37  300.639   47.232   0.7278   48.172   3.2150 -0.9406624 3.296344 
1 1 1   -7   34   11 o  148.257   1.2098 21399.76  345.265 21657.90  461.077 21070.24  520.942  149.290   1.5910  147.223   1.8228 2.066818 2.419525 
1 1 1   -7   34   12 o  100.709   0.9771  9900.68  186.830 10090.05  241.605  9619.01  294.659  101.923   1.2212   99.495   1.5256 2.427864 1.954176 
1 1 1   -7   34   13 o  105.842   1.0623 10863.16  210.725 10796.55  265.048 10977.60  347.417  105.420   1.2952  106.265   1.6842 -0.8457870 2.124638 
1 1 1   -7   34   14 o   65.929   0.7336  4253.48   91.556  4373.97  118.073  4071.76  144.996   67.114   0.9063   64.744   1.1537 2.370094 1.467111 
1 1 1   -7   34   15 o   75.579   0.9517  5543.99  139.135  5627.96  206.283  5473.91  188.457   76.100   1.3964   75.058   1.2934 1.042122 1.903408 
1 1 1   -7   34   16 o   68.274   0.9086  4530.13  120.328  4513.41  173.294  4545.69  167.209   68.151   1.3099   68.398   1.2594 -0.2463226 1.817113 
1 1 1   -7   34   17 o   39.362   0.7683  1509.31   58.519  1439.20   84.921  1572.69   80.752   38.488   1.1366   40.237   1.0339 -1.748810 1.536505 
1 1 1   -7   34   18 o   69.534   0.9406  4692.37  126.724  4827.96  185.875  4574.61  173.223   70.468   1.3588   68.599   1.3008 1.868950 1.881110 
1 1 1   -7   34   19 o   45.909   0.8337  2050.74   74.094  2016.31  108.421  2080.91  101.491   45.544   1.2263   46.273   1.1299 -0.7290840 1.667492 
1 1 1   -7   34   20 o   30.133   1.0084  909.350   57.118  750.225   87.580  1027.13   75.347   27.761   1.6252   32.505   1.1941 -4.743633 2.016724 
1 1 1   -7   34   21 o   36.044   0.9063  1256.60   63.009  1323.27   95.591  1205.38   83.788   36.881   1.3352   35.207   1.2260 1.674831 1.812689 
1 1 1   -7   34   22 o   13.830   1.8973  196.290   49.334  250.115   68.758  139.182   70.824   15.987   2.2157   11.673   3.0806 4.313547 3.794672 
1 1 1   -7   34   23 o   24.748   1.6290  597.917   78.258  597.917   78.258   0.0000   0.0000   24.748   1.6290  ?   ?       ?      ? 
1 1 1   -7   34   24 o   22.495   1.2581  495.588   54.930  493.486   78.251  497.629   77.126   22.446   1.7959   22.544   1.7624 -0.9780502E-01 2.516225 
1 1 1   -7   34   25 o   47.054   0.8326  2165.19   75.846  2291.69  105.712  2030.97  108.884   48.484   1.1232   45.623   1.2295 2.861233 1.665282 
1 1 1   -7   34   26 o   11.293   2.4052  131.035   57.627  161.403   83.845  103.845   79.337   12.346   3.3935   10.241   3.4096 2.105197 4.810485 
1 1 1   -7   34   27 o   11.588   2.2561  140.012   58.663   46.610   84.728  226.016   81.303   8.5419   3.4023   14.633   2.9638 -6.091284 4.512209 
1 1 1   -7   34   28 o   55.293   0.8869  3010.25   94.569  3081.64  127.558  2923.12  140.920   56.063   1.1721   54.523   1.3315 1.540619 1.773879 
1 1 1   -7   34   29 o   27.594   1.3044  760.717   69.331  641.774   95.802  891.514  100.463   25.283   1.9520   29.905   1.7306 -4.622644 2.608711 
1 1 1   -7   34   30 o   16.669   2.3989  301.029   73.743  376.511  118.817  253.736   94.050   18.297   3.4723   15.040   3.3110 3.256862 4.797870 
1 1 1   -7   35    1 o   92.318   0.9304  8261.33  157.765  8230.81  193.755  8321.38  271.767   92.073   1.0841   92.564   1.5125 -0.4907990 1.860859 
1 1 1   -7   35    2 o  175.783   1.2858 30123.35  403.435 30286.59  484.079 29752.13  729.990  176.598   1.4121  174.968   2.1493 1.629654 2.571654 
1 1 1   -7   35    3 f   50.763   0.7328  2535.75   57.299  2558.00   64.036  2446.36  128.327   51.334   0.6426   50.192   1.3171 1.142319 1.465507 
1 1 1   -7   35    4 o  132.243   1.1219 17153.42  258.605 17370.72  305.753 16607.27  484.727  133.752   1.1776  130.735   1.9100 3.017136 2.243883 
1 1 1   -7   35    5 o  115.523   1.8708 13535.05  285.990 13748.99  308.664 12237.27  760.209  118.984   1.3364  112.061   3.4947 6.923454 3.741529 
1 1 1   -7   35    6 o   69.393   2.1230  5025.00  125.228  5065.44  128.798  4325.76  535.569   72.231   0.9186   66.555   4.1455 5.676712 4.246009 
1 1 1   -7   35    7 o   9.3545   2.8368   50.723   32.778   55.029   33.004 -260.1228  280.409   7.4496   2.1578   11.259   5.2473 -3.809667 5.673616 
1 1 1   -7   35    8 o  121.806   1.8800 14793.85  309.182 14936.05  334.421 13957.06  811.259  124.001   1.3893  119.611   3.4940 4.389893 3.760092 
1 1 1   -7   35    9 o  109.715   2.0105 12544.60  273.745 12813.06  292.796 10680.72  771.494  114.854   1.3133  104.576   3.8005 10.27872 4.020978 
1 1 1   -7   35   10 o   26.892   2.2580  687.591   36.668  686.681   37.121  724.138  235.300   26.595   0.7190   27.188   4.4585 -0.5921249 4.516081 
1 1 1   -7   35   11 o  130.313   1.1506 16516.41  286.442 16577.24  373.710 16429.78  445.988  130.619   1.4739  130.007   1.7672 0.6124725 2.301174 
1 1 1   -7   35   12 o   18.695   0.7760  343.963   27.702  409.125   38.806  276.254   39.557   20.526   0.9739   16.864   1.2084 3.661543 1.551994 
1 1 1   -7   35   13 o   35.392   0.5935  1220.29   40.577  1264.91   55.378  1168.55   59.628   36.094   0.7904   34.690   0.8855 1.403744 1.186932 
1 1 1   -7   35   14 o   47.211   0.6373  2166.65   57.879  2181.15   77.008  2147.82   87.745   47.395   0.8370   47.028   0.9612 0.3667717 1.274547 
1 1 1   -7   35   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   35   16 o   63.418   0.8621  3889.17  105.691  4106.98  158.260  3713.82  141.999   65.011   1.2541   61.825   1.1832 3.186073 1.724115 
1 1 1   -7   35   17 o   91.173   1.1549  8070.53  204.130  8385.52  298.200  7792.77  280.023   92.841   1.6546   89.505   1.6117 3.336128 2.309842 
1 1 1   -7   35   18 o   18.826   1.3932  370.230   47.362  247.886   73.164  458.479   62.139   15.940   2.3645   21.712   1.4743 -5.772230 2.786473 
1 1 1   -7   35   19 o   66.786   0.9308  4320.42  120.287  4543.26  178.954  4136.74  162.464   68.347   1.3488   65.224   1.2832 3.123070 1.861675 
1 1 1   -7   35   20 o   60.041   0.8877  3506.10  103.370  3315.31  145.432  3700.90  146.953   58.388   1.2831   61.695   1.2271 -3.307129 1.775424 
1 1 1   -7   35   21 o   10.702   2.2385  116.055   52.972   52.850   82.839  159.779   68.900   8.8926   3.4154   12.511   2.8945 -3.618260 4.476985 
1 1 1   -7   35   22 o   31.485   0.9418  966.094   57.369  973.048   78.171  957.978   84.457   31.613   1.2738   31.358   1.3875 0.2549610 1.883540 
1 1 1   -7   35   23 o   28.672   1.0652  806.054   58.556  966.435   83.831  653.247   81.828   31.484   1.3717   25.860   1.6301 5.623381 2.130404 
1 1 1   -7   35   24 o   18.586   1.4727  340.006   53.084  345.907   73.924  333.724   76.275   18.759   2.0301   18.413   2.1340 0.3454781 2.945357 
1 1 1   -7   35   25 o   14.714   2.0327  224.470   56.359  189.350   83.264  254.166   76.564   13.437   3.2318   15.992   2.4664 -2.554982 4.065434 
1 1 1   -7   35   26 o   37.427   0.9365  1370.92   67.985  1299.92   94.516  1447.03   97.862   36.421   1.3369   38.434   1.3117 -2.012604 1.872907 
1 1 1   -7   35   27 o   27.592   1.1838  753.483   63.266  708.568   90.396  796.605   88.574   26.765   1.7399   28.418   1.6056 -1.653589 2.367528 
1 1 1   -7   35   28 o   33.839   1.0917  1134.26   71.211  969.874   99.432  1307.36  102.033   31.278   1.6376   36.399   1.4440 -5.121365 2.183385 
1 1 1   -7   35   29 o   16.379   2.1445  285.911   66.103  220.391   90.241  361.776   97.103   14.083   3.3497   18.675   2.6786 -4.591962 4.288974 
1 1 1   -7   35   30 o   14.938   2.5063  279.021   75.859  148.037  124.520  356.326   95.661   11.494   4.2355   18.383   2.6807 -6.889436 5.012566 
1 1 1   -7   36    1 o   24.203   1.0689  584.139   45.888  608.266   55.339  531.033   82.101   25.028   1.1390   23.378   1.8092 1.650810 2.137889 
1 1 1   -7   36    2 o  110.150   1.0092 11735.95  189.734 11682.96  220.600 11886.55  371.910  109.693   1.0360  110.608   1.7322 -0.9148102 2.018337 
1 1 1   -7   36    3 o  101.693   0.9622  9998.49  165.124  9952.32  190.823 10136.13  329.454  101.245   0.9709  102.142   1.6616 -0.8978043 1.924476 
1 1 1   -7   36    4 o   98.927   0.9951  9486.04  181.240  9444.02  223.111  9567.56  310.770   98.617   1.1655   99.237   1.6132 -0.6200790 1.990201 
1 1 1   -7   36    5 o   46.476   2.9143  2691.40   80.087  2728.54   81.400  1568.21  447.685   53.014   0.7910   39.937   5.7748 13.07778 5.828696 
1 1 1   -7   36    6 o   62.025   2.2660  4126.44  108.753  4163.85  111.361  3355.59  505.483   65.488   0.8760   58.561   4.4466 6.926552 4.532086 
1 1 1   -7   36    7 o  103.577   2.0021 11386.06  253.870 11687.53  271.394  9275.18  718.139  109.697   1.2745   97.458   3.7960 12.23869 4.004235 
1 1 1   -7   36    8 o   95.860   2.0048  9502.77  216.437  9637.60  228.118  8286.56  685.140   99.617   1.1797   92.103   3.8321 7.514450 4.009605 
1 1 1   -7   36    9 o   38.529   2.7779  1468.14   53.355  1468.73   53.817  1433.96  408.175   38.896   0.7128   38.163   5.5099 0.7328987 5.555782 
1 1 1   -7   36   10 o   62.085   1.8436  4267.00  113.089  4362.50  117.992  3188.94  396.436   67.029   0.9068   57.142   3.5740 9.887501 3.687264 
1 1 1   -7   36   11 o  134.990   1.1985 17793.84  309.431 18213.13  406.995 17219.50  476.344  136.901   1.5315  133.078   1.8440 3.823517 2.397009 
1 1 1   -7   36   12 o   51.863   0.6379  2627.47   63.659  2749.25   85.773  2478.13   94.986   53.211   0.8304   50.515   0.9687 2.695602 1.275881 
1 1 1   -7   36   13 o   27.337   1.0505  693.826   44.460  780.903  102.659  673.722   49.326   28.334   1.8665   26.339   0.9648 1.995403 2.101055 
1 1 1   -7   36   14 o   78.975   0.8779  6056.46  128.551  6048.76  159.639  6070.66  216.809   78.915   1.0421   79.034   1.4132 -0.1190262 1.755868 
1 1 1   -7   36   15 o  100.953   1.2561  9885.65  245.735 10401.48  360.672  9438.75  335.713  103.401   1.7969   98.505   1.7557 4.896286 2.512210 
1 1 1   -7   36   16 o   33.585   0.7607  1094.69   49.371  1107.42   73.581  1084.27   66.585   33.761   1.1227   33.409   1.0267 0.3519974 1.521402 
1 1 1   -7   36   17 f   77.606   1.0112  5856.09  152.280  5879.70  218.385  5833.75  212.450   77.756   1.4468   77.455   1.4130 0.3009186 2.022354 
1 1 1   -7   36   18 o  106.601   1.3319 11063.61  275.496 11259.75  396.473 10880.49  383.091  107.511   1.8998  105.691   1.8672 1.819572 2.663761 
1 1 1   -7   36   19 o   68.701   0.9530  4592.30  126.991  4381.98  179.430  4803.38  179.754   67.121   1.3771   70.281   1.3176 -3.159599 1.905905 
1 1 1   -7   36   20 o   89.835   1.1625  7859.48  202.647  7883.40  290.588  7836.82  282.745   89.965   1.6640   89.706   1.6237 0.2586288 2.324902 
1 1 1   -7   36   21 o   54.268   0.8942  2863.72   93.871  2891.36  138.975  2840.52  127.300   54.503   1.3136   54.033   1.2137 0.4702568 1.788415 
1 1 1   -7   36   22 o   58.594   0.9148  3336.03  103.683  3437.17  154.118  3252.40  140.136   59.396   1.3367   57.791   1.2492 1.604637 1.829531 
1 1 1   -7   36   23 o   33.374   0.9027  1087.38   58.364  1010.26   82.650  1164.09   82.429   32.187   1.3228   34.562   1.2286 -2.374851 1.805376 
1 1 1   -7   36   24 o   6.6245   1.9962 -46.3565   50.672   53.467   76.172 -125.5992   67.867   8.5939   3.2812   4.6551   2.2744 3.938824 3.992396 
1 1 1   -7   36   25 o   21.026   1.3320  431.909   53.990  470.391   82.446  403.019   71.437   21.827   1.9458   20.225   1.8196 1.601954 2.664034 
1 1 1   -7   36   26 o   17.298   1.7882  301.017   57.011  406.912   85.880  217.579   76.232   20.186   2.1916   14.410   2.8262 5.776076 3.576390 
1 1 1   -7   36   27 o   18.079   1.8609  343.034   61.282  243.435   86.706  442.449   86.626   15.129   3.0577   21.030   2.1220 -5.901241 3.721856 
1 1 1   -7   36   28 o   41.268   0.9668  1678.83   77.402  1664.98  107.406  1693.79  111.642   41.101   1.3462   41.436   1.3880 -0.3342934 1.933592 
1 1 1   -7   36   29 f   11.091   2.6249  133.797   66.637  114.482   91.273  155.845   97.515   10.418   3.6521   11.764   3.7712 -1.346646 5.249749 
1 1 1   -7   37    1 o   82.421   1.0257  6589.28  163.435  6495.22  220.651  6703.62  243.264   81.773   1.3901   83.069   1.5086 -1.295746 2.051368 
1 1 1   -7   37    2 o   32.366   0.9324  987.178   49.808  961.255   56.663  1075.30  104.471   31.465   0.9277   33.267   1.6178 -1.802368 1.864876 
1 1 1   -7   37    3 o  143.659   1.1841 20218.62  299.224 20448.84  355.802 19662.42  553.032  145.103   1.2632  142.215   2.0033 2.887787 2.368279 
1 1 1   -7   37    4 o   87.061   0.9138  7322.16  144.286  7251.75  174.800  7472.71  255.601   86.418   1.0420   87.704   1.5013 -1.285316 1.827518 
1 1 1   -7   37    5 o   91.762   1.8967  8605.88  198.181  8707.28  209.000  7701.81  624.059   94.690   1.1370   88.833   3.6190 5.857140 3.793404 
1 1 1   -7   37    6 o   24.520   3.6506  771.302   44.155  777.233   44.491  382.566  360.207   28.294   0.8100   20.746   7.2561 7.547836 7.301208 
1 1 1   -7   37    7 o  123.555   2.7036 14502.47  315.053 14443.96  325.208 15395.79  1270.71  121.938   1.3739  125.171   5.2297 -3.233269 5.407133 
1 1 1   -7   37    8 o  129.176   1.9427 17275.39  360.651 17822.64  397.887 14755.27  853.839  135.434   1.5134  122.918   3.5785 12.51633 3.885342 
1 1 1   -7   37    9 o   40.586   3.3692  2035.42   64.970  2052.48   65.687  1266.80  440.857   45.979   0.7360   35.192   6.6981 10.78769 6.738440 
1 1 1   -7   37   10 o  137.070   1.6179 18819.38  368.376 19350.13  426.147 17250.27  732.725  141.107   1.5558  133.034   2.8373 8.072723 3.235889 
1 1 1   -7   37   11 o   60.006   1.9245  4009.88  107.343  4090.03  111.414  2972.81  400.757   64.900   0.8844   55.112   3.7460 9.788254 3.849020 
1 1 1   -7   37   12 o   37.203   0.5907  1332.06   42.416  1239.02   56.406  1453.14   64.344   35.722   0.8134   38.685   0.8568 -2.962822 1.181478 
1 1 1   -7   37   13 o   46.541   0.6304  2102.99   55.963  2100.82   72.675  2106.15   87.718   46.514   0.8049   46.569   0.9704 -0.5461502E-01 1.260723 
1 1 1   -7   37   14 o   38.846   0.6398  1471.23   47.889  1518.55   64.545  1413.27   71.428   39.545   0.8408   38.146   0.9646 1.398460 1.279635 
1 1 1   -7   37   15 o   66.667   0.7800  4351.61   97.507  4453.77  123.677  4183.81  158.507   67.717   0.9409   65.616   1.2444 2.101051 1.560079 
1 1 1   -7   37   16 o   81.651   1.0433  6480.43  165.314  6594.26  237.532  6373.50  230.219   82.345   1.4860   80.957   1.4649 1.387833 2.086692 
1 1 1   -7   37   17 o   13.017   1.8047  169.256   43.570  184.555   67.280  158.206   57.179   13.514   2.6594   12.521   2.4403 0.9933538 3.609364 
1 1 1   -7   37   18 o   25.872   1.0444  658.063   51.475  612.603   79.334  691.116   67.648   25.085   1.6292   26.659   1.3072 -1.573288 2.088818 
1 1 1   -7   37   19 o   68.413   0.9475  4533.79  125.404  4769.88  186.790  4340.06  169.206   70.024   1.3742   66.802   1.3048 3.222092 1.894986 
1 1 1   -7   37   20 o   21.280   1.4792  471.370   57.142  329.494   88.921  571.169   74.579   18.345   2.4970   24.216   1.5865 -5.870907 2.958407 
1 1 1   -7   37   21 o   64.310   0.9403  4023.46  117.162  4093.82  171.621  3962.05  160.337   64.830   1.3637   63.790   1.2948 1.040817 1.880523 
1 1 1   -7   37   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   37   23 o   19.417   1.3820  368.168   51.932  395.663   77.232  345.475   70.163   20.072   1.9821   18.762   1.9265 1.310133 2.764064 
1 1 1   -7   37   24 o   10.436   2.2607  106.193   50.856  144.993   76.371   75.281   68.168   11.804   3.2363   9.0687   3.1575 2.735565 4.521388 
1 1 1   -7   37   25 f   19.675   1.5318  382.284   58.100  450.351   85.564  324.052   79.142   21.310   2.0684   18.040   2.2600 3.270658 3.063652 
1 1 1   -7   37   26 o   12.454   2.0591  172.177   55.853   44.702   84.630  270.546   74.343   8.4882   3.3940   16.420   2.3325 -7.931312 4.118178 
1 1 1   -7   37   27 o   27.428   1.2506  747.976   66.513  714.894   94.584  780.340   93.551   26.810   1.8174   28.046   1.7183 -1.236225 2.501124 
1 1 1   -7   37   28 o   16.383   2.0558  282.377   63.837  317.620   93.895  252.085   87.050   17.495   2.7648   15.272   3.0433 2.223516 4.111651 
1 1 1   -7   37   29 o   31.310   1.3859  1004.33   82.161  927.827  128.134  1057.76  107.069   30.124   2.1912   32.496   1.6974 -2.371288 2.771709 
1 1 1   -7   38    1 o   70.416   0.7766  4867.14   91.216  4918.02  105.210  4713.14  183.043   71.174   0.7615   69.657   1.3537 1.516968 1.553179 
1 1 1   -7   38    2 o   55.552   0.7144  2962.08   64.058  2934.98   72.476  3058.81  136.937   54.985   0.6790   56.119   1.2570 -1.134464 1.428701 
1 1 1   -7   38    3 o   47.518   0.7178  2231.77   53.204  2259.26   59.762  2126.77  116.819   48.242   0.6382   46.794   1.2861 1.448444 1.435682 
1 1 1   -7   38    4 o  106.273   1.0599 11036.79  208.911 11194.62  260.569 10752.76  349.550  107.359   1.2503  105.187   1.7119 2.171669 2.119889 
1 1 1   -7   38    5 o  109.072   1.9447 12317.53  269.918 12574.02  289.783 10636.70  741.809  113.776   1.3121  104.368   3.6615 9.407822 3.889492 
1 1 1   -7   38    6 o  121.425   1.8636 14719.64  305.736 14866.91  330.782 13856.12  800.960  123.708   1.3775  119.142   3.4632 4.565437 3.727101 
1 1 1   -7   38    7 o   69.513   2.1455  5010.67  126.599  5046.40  130.169  4386.01  544.284   72.091   0.9302   66.935   4.1889 5.155663 4.290974 
1 1 1   -7   38    8 o   27.133   3.6139  823.174   42.805  825.649   43.097  642.676  368.091   29.162   0.7613   25.103   7.1875 4.058842 7.227732 
1 1 1   -7   38    9 o   26.480   3.3047  518.925   39.402  514.286   39.627  923.636  370.135   23.014   0.8870   29.946   6.5496 -6.932119 6.609421 
1 1 1   -7   38   10 o   59.255   2.6579  3845.88  106.377  3876.45  108.328  3020.32  562.987   63.183   0.8832   55.328   5.2419 7.854450 5.315775 
1 1 1   -7   38   11 o  106.287   1.0715 10958.68  215.665 10883.29  275.704 11077.53  346.180  105.833   1.3420  106.741   1.6707 -0.9077682 2.142972 
1 1 1   -7   38   12 o   58.668   0.7038  3341.08   78.010  3335.32   99.459  3350.29  125.756   58.606   0.8743   58.729   1.1031 -0.1228905 1.407521 
1 1 1   -7   38   13 o   58.610   0.7136  3349.52   79.384  3400.65  102.497  3272.87  125.495   59.176   0.8923   58.045   1.1138 1.131321 1.427119 
1 1 1   -7   38   14 o  116.621   1.2501 13286.27  268.973 13410.79  333.069 13052.80  456.054  117.453   1.4608  115.789   2.0290 1.663979 2.500194 
1 1 1   -7   38   15 f   71.038   0.8228  4934.04  109.841  5029.19  139.627  4779.56  177.920   71.953   0.9997   70.124   1.3071 1.829277 1.645515 
1 1 1   -7   38   16 o   35.226   0.7907  1199.74   53.477  1245.24   82.605  1166.92   70.165   35.795   1.1888   34.656   1.0430 1.138783 1.581482 
1 1 1   -7   38   17 o   38.750   0.8162  1449.62   60.752  1525.33   93.911  1395.13   79.667   39.611   1.2213   37.889   1.0832 1.721802 1.632456 
1 1 1   -7   38   18 o   55.618   0.8629  2996.41   92.417  3091.46  140.794  2924.45  122.501   56.385   1.2863   54.851   1.1505 1.533997 1.725794 
1 1 1   -7   38   19 o   71.578   0.9815  4986.11  136.318  4944.89  195.024  5025.49  190.617   71.286   1.4093   71.870   1.3663 -0.5841446 1.962907 
1 1 1   -7   38   20 o   87.070   1.1402  7382.49  192.557  7543.70  279.238  7236.33  265.886   87.970   1.6352   86.169   1.5896 1.800568 2.280496 
1 1 1   -7   38   21 f   15.803   2.0415  278.326   57.517  155.296   89.988  363.303   74.787   12.341   3.5597   19.266   1.9998 -6.924788 4.082989 
1 1 1   -7   38   22 o   8.8726   2.3293   44.383   54.159  111.310   89.261   5.3878   68.135   10.799   3.6169   6.9461   2.9362 3.852824 4.658619 
1 1 1   -7   38   23 o   22.328   1.2880  495.887   55.030  428.189   81.009  553.895   74.987   20.869   1.9997   23.787   1.6240 -2.918379 2.576059 
1 1 1   -7   38   24 o   30.152   1.0137  893.787   59.079  821.685   84.983  961.226   82.189   28.955   1.5120   31.348   1.3506 -2.392883 2.027369 
1 1 1   -7   38   25 o   16.089   1.9137  272.342   56.747  206.591   82.605  331.103   78.091   13.959   3.1263   18.220   2.2079 -4.261794 3.827343 
1 1 1   -7   38   26 o   15.111   2.0432  228.536   58.001  323.106   90.910  163.617   75.322   17.855   2.6229   12.368   3.1336 5.487322 4.086499 
1 1 1   -7   38   27 o   16.348   2.0502  283.022   63.011  239.682   89.873  324.921   88.367   14.865   3.2086   17.831   2.5529 -2.966150 4.100308 
1 1 1   -7   38   28 o   25.863   1.2851  675.573   63.699  626.908   95.839  714.081   85.255   24.948   1.9790   26.779   1.6401 -1.831209 2.570273 
1 1 1   -7   38   29 o   19.502   1.9960  402.806   73.033  410.726  119.517  398.086   92.263   19.433   3.1683   19.571   2.4286 -0.1379318 3.992069 
1 1 1   -7   39    1 o   94.111   0.9325  8719.28  149.173  8847.27  173.904  8362.83  290.224   95.455   0.9385   92.767   1.6117 2.687469 1.865016 
1 1 1   -7   39    2 o  102.027   0.9783 10073.90  169.366 10033.31  196.325 10192.00  334.884  101.649   0.9950  102.405   1.6846 -0.7562485 1.956519 
1 1 1   -7   39    3 f  168.945   1.3137 27869.41  391.985 28042.19  466.797 27456.17  721.891  169.895   1.4154  167.995   2.2137 1.900513 2.627484 
1 1 1   -7   39    4 o  138.964   1.2514 18811.40  326.278 18928.80  412.349 18614.83  533.594  139.572   1.5220  138.355   1.9868 1.217072 2.502724 
1 1 1   -7   39    5 o   23.845   3.8648  552.047   43.074  551.999   43.322  556.249  403.355   23.843   0.9360   23.847   7.6726 -0.4098892E-02 7.729511 
1 1 1   -7   39    6 o   77.147   2.2102  6549.15  160.020  6669.92  166.123  4995.37  595.862   82.876   1.0326   71.419   4.2980 11.45753 4.420331 
1 1 1   -7   39    7 o   55.688   3.1383  3053.92  337.343  3206.74  460.981  2877.72  494.983   57.230   4.1495   54.147   4.7092 3.082981 6.276565 
1 1 1   -7   39    8 o   33.980   4.5221  1213.48  285.302  1542.94  390.252  835.240  418.146   39.583   5.0790   28.378   7.4835 11.20469 9.044296 
1 1 1   -7   39    9 o   61.842   2.4350  4124.97  109.779  4158.70  112.107  3338.11  541.479   65.442   0.8825   58.242   4.7894 7.200699 4.870045 
1 1 1   -7   39   10 o  132.747   2.5864 18710.07  437.976 19247.33  471.587 15338.94  1181.29  140.692   1.7267  124.802   4.8761 15.88985 5.172768 
1 1 1   -7   39   11 o   40.011   0.7672  1554.36   59.589  1554.36   59.589   0.0000   0.0000   40.011   0.7672  ?   ?       ?      ? 
1 1 1   -7   39   12 o   65.757   0.7583  4218.79   93.493  4273.62  118.241  4127.33  152.715   66.337   0.9182   65.178   1.2070 1.158867 1.516585 
1 1 1   -7   39   13 o   31.026   0.8847  934.840   53.282  934.840   53.282   0.0000   0.0000   31.026   0.8847  ?   ?       ?      ? 
1 1 1   -7   39   14 o   46.932   0.6704  2121.85   60.362  2031.44   78.806  2250.20   93.892   45.735   0.8877   48.130   1.0050 -2.395279 1.340853 
1 1 1   -7   39   15 o   50.390   0.6893  2475.27   66.419  2518.30   87.149  2415.64  102.589   50.919   0.8817   49.862   1.0599 1.056728 1.378689 
1 1 1   -7   39   16 o   44.804   0.7763  1950.00   67.029  1955.62  101.143  1945.60   89.506   44.858   1.1615   44.749   1.0304 0.1088524 1.552690 
1 1 1   -7   39   17 o   17.484   1.3628  298.663   45.503  293.841   70.726  302.067   59.437   17.357   2.0992   17.612   1.7386 -0.2548752 2.725635 
1 1 1   -7   39   18 o   35.662   0.8614  1236.73   59.049  1235.83   89.997  1237.41   78.246   35.646   1.3006   35.678   1.1298 -0.3177261E-01 1.722788 
1 1 1   -7   39   19 o   36.166   0.9163  1270.75   63.688  1285.03   97.435  1260.10   84.155   36.337   1.3813   35.994   1.2044 0.3425064 1.832688 
1 1 1   -7   39   20 o   86.944   1.1422  7374.58  192.747  7295.88  274.050  7451.63  271.145   86.480   1.6325   87.408   1.5980 -0.9274673 2.284448 
1 1 1   -7   39   21 o   71.966   1.0100  5051.07  140.888  5043.89  204.806  5057.51  194.116   71.908   1.4672   72.024   1.3884 -0.1158218 2.020011 
1 1 1   -7   39   22 o   17.889   1.6849  302.033   56.858  375.901   95.162  261.024   70.905   19.499   2.5142   16.279   2.2439 3.219961 3.369856 
1 1 1   -7   39   23 o   24.512   1.1475  588.430   54.081  590.078   82.367  587.181   71.701   24.526   1.7301   24.497   1.5078 0.2910423E-01 2.294905 
1 1 1   -7   39   24 o   27.920   1.2013  749.541   63.252  841.075  104.810  697.107   79.327   29.194   1.8495   26.647   1.5336 2.547112 2.402581 
1 1 1   -7   39   25 o   10.233   2.4334  105.128   56.810  100.675   87.526  108.370   74.677   10.194   3.5762   10.272   3.3010 -0.7715511E-01 4.866805 
1 1 1   -7   39   26 o   29.541   1.1300  875.801   63.746  745.079   93.872  987.667   86.838   27.406   1.7645   31.677   1.4122 -4.270861 2.260087 
1 1 1   -7   39   27 o   31.446   1.1008  978.761   67.118  1004.00   97.743  956.247   92.325   31.818   1.5825   31.074   1.5306 0.7445087 2.201594 
1 1 1   -7   39   28 o   22.239   1.8039  557.645   68.788  391.025  117.539  644.438   84.833   19.099   3.1704   25.379   1.7219 -6.280573 3.607811 
1 1 1   -7   40    1 o   58.630   0.7583  3375.77   71.663  3406.16   81.403  3271.09  151.086   59.233   0.7080   58.028   1.3413 1.204765 1.516663 
1 1 1   -7   40    2 o   49.462   0.7274  2417.41   57.439  2449.93   65.079  2302.79  122.182   50.236   0.6674   48.689   1.2927 1.546558 1.454834 
1 1 1   -7   40    3 o   49.909   0.7531  2423.72   57.942  2426.81   64.649  2411.08  130.635   49.998   0.6661   49.819   1.3508 0.1791916 1.506127 
1 1 1   -7   40    4 o   82.714   2.1678  7150.06  172.210  7227.81  178.682  6134.67  645.703   86.271   1.0670   79.156   4.2022 7.114304 4.335585 
1 1 1   -7   40    5 o   53.183   2.6170  2968.17   85.050  2979.89   86.250  2555.66  511.707   55.400   0.8020   50.966   5.1722 4.434441 5.234054 
1 1 1   -7   40    6 o  129.103   1.9298 16951.65  349.753 17289.54  382.499 15227.86  863.937  133.387   1.4772  124.819   3.5656 8.567856 3.859538 
1 1 1   -7   40    7 o   41.781   3.4964  2185.26   69.739  2204.81   70.530  1327.95  467.026   47.653   0.7625   35.909   6.9512 11.74412 6.992857 
1 1 1   -7   40    8 o   62.858   2.4234  4117.54  110.116  4138.69  112.317  3593.66  558.998   65.284   0.8863   60.432   4.7651 4.852055 4.846855 
1 1 1   -7   40    9 o   55.232   3.1628  3300.66   96.181  3315.04   97.311  2691.98  633.029   58.429   0.8580   52.035   6.2671 6.394405 6.325558 
1 1 1   -7   40   10 o   51.046   0.8091  2530.10   80.173  2530.10   80.173   0.0000   0.0000   51.046   0.8091  ?   ?       ?      ? 
1 1 1   -7   40   11 o   16.499   1.3216  264.538   42.327  264.538   42.327   0.0000   0.0000   16.499   1.3216  ?   ?       ?      ? 
1 1 1   -7   40   12 o   81.509   0.9005  6363.58  134.450  6185.42  163.745  6732.24  235.549   79.798   1.0571   83.220   1.4581 -3.421906 1.800982 
1 1 1   -7   40   13 o   34.422   0.8897  1150.73   59.451  1150.73   59.451   0.0000   0.0000   34.422   0.8897  ?   ?       ?      ? 
1 1 1   -7   40   14 o   49.174   0.6753  2348.49   63.227  2346.77   81.802  2351.04   99.650   49.155   0.8573   49.192   1.0436 -0.3667068E-01 1.350545 
1 1 1   -7   40   15 o   10.566   1.8817  112.698   38.652  128.513   56.239   98.539   53.212   11.248   2.6239   9.8852   2.6978 1.362475 3.763314 
1 1 1   -7   40   16 o   64.022   0.7707  3980.14   92.316  3970.74  115.953  3996.40  152.566   63.930   0.9344   64.114   1.2259 -0.1835365 1.541349 
1 1 1   -7   40   17 o   33.046   0.9043  1068.71   57.053  1022.19   88.053  1102.37   74.904   32.416   1.3993   33.676   1.1458 -1.259796 1.808596 
1 1 1   -7   40   18 o   20.670   1.2883  406.125   51.043  499.685   79.641  340.903   66.495   22.641   1.8121   18.700   1.8318 3.940968 2.576679 
1 1 1   -7   40   19 o   25.780   1.1668  674.147   55.965  527.187   86.246  781.039   73.555   23.235   1.9122   28.325   1.3378 -5.090172 2.333688 
1 1 1   -7   40   20 o   62.371   0.9311  3786.82  112.477  3831.90  165.095  3747.78  153.653   62.710   1.3562   62.032   1.2760 0.6782074 1.862135 
1 1 1   -7   40   21 o   49.299   0.9037  2388.36   85.433  2226.96  128.717  2515.44  114.220   47.780   1.3878   50.819   1.1578 -3.039337 1.807369 
1 1 1   -7   40   22 o   38.429   0.9454  1434.39   67.624  1466.79  113.581  1416.61   84.168   38.733   1.5106   38.125   1.1373 0.6081085 1.890898 
1 1 1   -7   40   23 o   10.668   2.3083  114.390   51.580  128.467   80.970  104.775   66.915   11.184   3.4157   10.152   3.1059 1.032585 4.616652 
1 1 1   -7   40   24 o   54.274   0.8291  2883.00   87.048  2912.97  118.624  2848.04  128.133   54.597   1.1193   53.950   1.2235 0.6474915 1.658231 
1 1 1   -7   40   25 o   32.628   1.1406  1032.49   68.975  1109.36  118.172  992.765   84.947   33.462   1.8193   31.793   1.3764 1.668531 2.281274 
1 1 1   -7   40   26 o   36.777   0.9588  1334.95   68.261  1268.31   98.609  1396.27   94.587   35.870   1.4162   37.684   1.2930 -1.814163 1.917675 
1 1 1   -7   40   27 o   10.935   2.4832  130.319   62.501   77.615   95.341  170.039   82.767   9.4865   3.6587   12.383   3.3583 -2.896741 4.966311 
1 1 1   -7   40   28 o   17.486   2.2286  360.062   67.656  258.127  113.819  415.759   84.133   14.798   3.9053   20.174   2.1484 -5.375988 4.457275 
1 1 1   -7   41    1 o   76.633   0.8235  5631.81  104.460  5567.22  119.398  5842.56  215.676   75.722   0.8123   77.543   1.4328 -1.820564 1.647061 
1 1 1   -7   41    2 o   48.453   0.7746  2223.79   56.355  2192.26   62.142  2369.86  133.736   47.520   0.6737   49.387   1.3950 -1.867264 1.549137 
1 1 1   -7   41    3 o   73.887   0.8904  5371.75  118.507  5492.11  143.893  5118.01  208.930   75.203   0.9857   72.571   1.4831 2.631355 1.780777 
1 1 1   -7   41    4 o   77.946   2.3538  6628.08  162.528  6724.70  167.899  5189.83  647.777   83.211   1.0394   72.681   4.5913 10.53008 4.707507 
1 1 1   -7   41    5 o   68.884   2.3490  4989.88  128.182  5026.34  131.339  4258.73  588.151   71.944   0.9404   65.824   4.6030 6.119987 4.698092 
1 1 1   -7   41    6 o   40.619   3.3090  1933.49   67.612  1946.83   68.395  1361.38  447.947   44.778   0.7869   36.459   6.5710 8.318974 6.617967 
1 1 1   -7   41    7 o   62.154   2.5952  4237.98  112.741  4274.94  114.971  3312.76  575.272   66.350   0.8927   57.959   5.1132 8.391293 5.190492 
1 1 1   -7   41    8 o   26.718   3.9763  1057.60   50.190  1067.53   50.505  269.255  450.143   33.158   0.7847   20.279   7.9137 12.87940 7.952538 
1 1 1   -7   41    9 o  100.797   1.2709  9871.53  248.661  9871.53  248.661   0.0000   0.0000  100.797   1.2709  ?   ?       ?      ? 
1 1 1   -7   41   10 o  100.252   1.2663  9765.60  246.435  9765.60  246.435   0.0000   0.0000  100.252   1.2663  ?   ?       ?      ? 
1 1 1   -7   41   11 o  129.270   1.6013 16249.59  401.832 16249.59  401.832   0.0000   0.0000  129.270   1.6013  ?   ?       ?      ? 
1 1 1   -7   41   12 o   57.496   0.7046  3214.02   76.192  3223.05   96.533  3199.10  124.086   57.609   0.8632   57.383   1.1140 0.2255669 1.409278 
1 1 1   -7   41   13 o   25.953   0.7357  658.562   36.572  682.729   48.471  626.620   55.726   26.511   0.9419   25.394   1.1305 1.117220 1.471407 
1 1 1   -7   41   14 o   22.874   0.9009  507.765   39.935  468.133   55.369  550.738   57.655   21.945   1.2998   23.804   1.2478 -1.858988 1.801754 
1 1 1   -7   41   15 f   23.023   0.9007  514.811   40.211  481.855   55.941  550.043   57.839   22.261   1.2946   23.785   1.2527 -1.524372 1.801426 
1 1 1   -7   41   16 o   50.068   0.7180  2434.37   68.995  2425.94   90.905  2445.83  105.964   49.970   0.9372   50.166   1.0881 -0.1959534 1.436078 
1 1 1   -7   41   17 o   10.696   2.1109  111.171   45.418  145.726   70.754   86.952   59.233   11.956   3.0414   9.4366   2.9281 2.519466 4.221783 
1 1 1   -7   41   18 o   28.887   0.9996  811.820   55.268  815.613   85.722  809.121   72.303   28.938   1.5260   28.837   1.2916 0.1011543 1.999273 
1 1 1   -7   41   19 o   13.011   2.0352  186.722   52.196   84.866   81.520  257.495   67.952   9.8088   3.4507   16.213   2.1590 -6.404578 4.070477 
1 1 1   -7   41   20 o   45.303   0.8819  2001.89   76.965  1978.22  115.868  2020.58  102.961   45.053   1.3249   45.554   1.1643 -0.5012283 1.763809 
1 1 1   -7   41   21 o   55.956   0.9082  3036.89   97.900  3186.13  149.310  2924.34  129.664   57.141   1.3461   54.770   1.2196 2.371601 1.816405 
1 1 1   -7   41   22 o   23.159   1.4080  546.700   58.685  474.237  100.627  584.047   72.242   21.888   2.3684   24.430   1.5233 -2.542336 2.815974 
1 1 1   -7   41   23 o   33.146   0.9478  1074.22   60.483  1086.01   91.788  1065.17   80.409   33.289   1.4204   33.003   1.2551 0.2862129 1.895501 
1 1 1   -7   41   24 o   10.849   2.2989  114.771   53.261  175.971   83.429   72.670   69.197   12.803   3.3267   8.8959   3.1739 3.907103 4.597822 
1 1 1   -7   41   25 o   28.126   1.1778  796.430   62.324  718.023   98.320  849.098   80.582   26.875   1.8847   29.378   1.4130 -2.503103 2.355566 
1 1 1   -7   41   26 o   15.678   2.2302  238.486   60.708  344.722  115.437  197.872   71.375   17.731   3.4781   13.625   2.7925 4.106441 4.460369 
1 1 1   -7   41   27 o   17.932   1.9442  346.944   64.035  284.275   95.719  397.711   86.152   16.111   3.1735   19.752   2.2469 -3.641256 3.888396 
1 1 1   -7   41   28 o   8.6518   2.4641   43.051   69.797 -54.7003  110.922  107.125   89.804   7.2518   3.3521   10.052   3.6126 -2.800050 4.928217 
1 1 1   -7   42    1 o   30.480   0.9806  876.030   42.433  864.004   46.121  942.339  108.299   29.830   0.7965   31.129   1.7922 -1.298594 1.961255 
1 1 1   -7   42    2 o   42.634   0.8172  1739.21   62.788  1696.36   75.376  1836.36  113.485   41.795   0.9290   43.473   1.3448 -1.677956 1.634495 
1 1 1   -7   42    3 o   90.295   0.9843  7899.45  162.609  7853.68  198.822  7991.92  282.595   89.918   1.1391   90.671   1.6056 -0.7525940 1.968598 
1 1 1   -7   42    4 o   20.618   4.1525  399.488   45.804  400.573   46.007  277.052  488.603   20.307   1.1671   20.929   8.2226 -0.6224728 8.305006 
1 1 1   -7   42    5 o   22.411   4.0878  532.143   46.719  534.084   46.958  343.060  463.585   23.450   1.0316   21.372   8.1103 2.077686 8.175613 
1 1 1   -7   42    6 o   71.541   2.5000  5862.56  147.764  5969.16  152.221  4121.97  615.119   78.398   1.0002   64.684   4.8989 13.71352 4.999949 
1 1 1   -7   42    7 o   58.173   2.9867  4052.49  114.122  4108.96  116.337  2611.36  587.717   65.047   0.9213   51.299   5.9019 13.74811 5.973382 
1 1 1   -7   42    8 o   9.5966   2.3016   93.303   42.324   93.303   42.324   0.0000   0.0000   9.5966   2.3016  ?   ?       ?      ? 
1 1 1   -7   42    9 o   35.255   0.7869  1206.87   53.849  1206.87   53.849   0.0000   0.0000   35.255   0.7869  ?   ?       ?      ? 
1 1 1   -7   42   10 o   27.074   0.8897  711.867   46.760  711.867   46.760   0.0000   0.0000   27.074   0.8897  ?   ?       ?      ? 
1 1 1   -7   42   11 o   32.159   0.8384  1004.34   52.341  1004.34   52.341   0.0000   0.0000   32.159   0.8384  ?   ?       ?      ? 
1 1 1   -7   42   12 o   50.478   0.6638  2484.13   63.529  2518.67   81.822  2431.71  100.805   50.925   0.8277   50.030   1.0380 0.8955383 1.327584 
1 1 1   -7   42   13 o   29.354   0.7313  837.106   41.564  836.464   56.789  837.847   60.999   29.343   0.9970   29.365   1.0701 -0.2220917E-01 1.462561 
1 1 1   -7   42   14 o   88.116   0.9765  7594.62  160.183  7708.30  200.753  7395.41  265.741   89.055   1.1613   87.178   1.5703 1.876846 1.953074 
1 1 1   -7   42   15 o   43.008   0.7004  1803.60   58.129  1863.92   78.861  1731.84   86.017   43.801   0.9275   42.215   1.0497 1.586071 1.400726 
1 1 1   -7   42   16 o   36.452   0.7131  1290.99   50.214  1288.35   67.733  1294.21   74.821   36.413   0.9582   36.491   1.0563 -0.7836914E-01 1.426151 
1 1 1   -7   42   17 o   21.425   1.2690  444.215   50.861  459.754   84.679  435.446   63.615   21.704   2.0099   21.146   1.5498 0.5576935 2.538005 
1 1 1   -7   42   18 o   17.625   1.5502  313.069   51.052  265.198   80.292  345.558   66.145   16.437   2.5164   18.814   1.8112 -2.376650 3.100444 
1 1 1   -7   42   19 o   37.498   0.9038  1373.21   65.296  1338.42   97.835  1401.16   87.681   37.060   1.3600   37.936   1.1907 -0.8765221 1.807522 
1 1 1   -7   42   20 o   30.510   1.0409  914.082   60.500  879.501   94.153  938.402   78.958   29.997   1.6169   31.022   1.3112 -1.025230 2.081715 
1 1 1   -7   42   21 o   14.927   1.9483  217.037   52.801  254.262   91.193  198.264   64.760   15.689   3.1043   14.166   2.3551 1.522752 3.896561 
1 1 1   -7   42   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   42   23 o   23.581   1.1943  548.373   53.573  545.981   84.492  549.982   69.281   23.502   1.8520   23.660   1.5085 -0.1582699 2.388628 
1 1 1   -7   42   24 o   11.531   2.2243  146.580   54.375   76.299   84.287  196.679   71.164   9.3709   3.4786   13.690   2.7729 -4.319471 4.448534 
1 1 1   -7   42   25 o   32.808   1.0163  1057.93   63.997  1081.78   98.614  1040.58   84.115   33.091   1.5352   32.525   1.3323 0.5657349 2.032687 
1 1 1   -7   42   26 o   40.444   0.9462  1613.01   74.015  1615.46  109.437  1610.94  100.481   40.445   1.3939   40.443   1.2799 0.1960754E-02 1.892402 
1 1 1   -7   42   27 o   10.463   2.4311  110.732   67.561 -12.3033  105.702  195.712   87.847   7.7758   3.4640   13.151   3.4120 -5.374876 4.862191 
1 1 1   -7   43    1 o   79.549   0.8600  6214.92  114.793  6283.13  132.805  6013.36  228.284   80.440   0.8505   78.657   1.4951 1.782982 1.720092 
1 1 1   -7   43    2 o   39.601   0.8571  1439.98   49.227  1400.52   53.617  1651.77  124.218   37.980   0.7272   41.222   1.5523 -3.242126 1.714254 
1 1 1   -7   43    3 o   59.552   0.8156  3460.62   85.266  3481.87  101.117  3408.33  158.625   59.881   0.8699   59.223   1.3798 0.6571198 1.631121 
1 1 1   -7   43    4 o   65.786   2.7537  4680.46  126.190  4715.23  128.624  3787.53  651.740   69.680   0.9509   61.891   5.4247 7.788803 5.507463 
1 1 1   -7   43    5 o   20.683   3.9732  483.409   47.795  487.159   48.038  115.900  475.589   22.395   1.1050   18.971   7.8692 3.424126 7.946404 
1 1 1   -7   43    6 o   19.212   3.9572  383.331   45.534  386.286   45.736   50.542  485.285   19.941   1.1816   18.483   7.8257 1.457546 7.914412 
1 1 1   -7   43    7 o  132.646   1.6335 17108.76  420.600 17108.76  420.600   0.0000   0.0000  132.646   1.6335  ?   ?       ?      ? 
1 1 1   -7   43    8 o   51.115   0.8297  2537.16   82.327  2537.16   82.327   0.0000   0.0000   51.115   0.8297  ?   ?       ?      ? 
1 1 1   -7   43    9 o   69.132   0.9599  4641.93  128.812  4641.93  128.812   0.0000   0.0000   69.132   0.9599  ?   ?       ?      ? 
1 1 1   -7   43   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   43   11 o   31.888   0.8834  987.653   54.682  987.653   54.682   0.0000   0.0000   31.888   0.8834  ?   ?       ?      ? 
1 1 1   -7   43   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   43   13 o   41.989   0.6598  1727.27   52.944  1806.04   69.978  1621.82   80.969   43.121   0.8360   40.856   1.0209 2.265579 1.319541 
1 1 1   -7   43   14 o   48.289   0.7010  2273.37   65.086  2324.73   86.854  2207.59   98.294   48.918   0.9147   47.661   1.0624 1.256203 1.401903 
1 1 1   -7   43   15 o   8.2058   2.0441   57.532   40.415   62.935   59.294   52.844   55.234   8.4667   2.9450   7.9450   2.8355 0.5216861 4.088130 
1 1 1   -7   43   16 o   16.628   1.2981  269.483   41.892  276.846   59.748  262.364   58.754   16.852   1.8265   16.404   1.8451 0.4474468 2.596204 
1 1 1   -7   43   17 o   22.517   0.9980  499.856   42.998  541.536   57.764  448.061   64.393   23.590   1.2614   21.444   1.5469 2.146355 1.996027 
1 1 1   -7   43   18 o   44.703   0.8527  1938.49   73.307  1995.32  112.242  1896.22   96.806   45.264   1.2774   44.142   1.1298 1.122101 1.705333 
1 1 1   -7   43   19 o   54.543   0.8762  2898.01   92.522  2902.29  135.982  2894.32  126.251   54.573   1.2836   54.513   1.1931 0.5999756E-01 1.752481 
1 1 1   -7   43   20 o   7.8308   2.2754   21.972   52.456   34.165   92.232   16.142   63.776   8.6461   3.5126   7.0155   2.8934 1.630648 4.550838 
1 1 1   -7   43   21 o   27.404   1.1704  743.515   60.215  705.425   97.138  767.286   76.738   26.792   1.8678   28.016   1.4110 -1.224722 2.340850 
1 1 1   -7   43   22 o   33.766   1.0539  1127.09   66.367  1086.45  109.238  1150.86   83.556   33.228   1.6936   34.304   1.2548 -1.076679 2.107762 
1 1 1   -7   43   23 o   22.189   1.2585  486.380   54.055  496.450   79.812  477.847   73.472   22.388   1.8365   21.991   1.7211 0.3965435 2.516925 
1 1 1   -7   43   24 o   13.872   2.1662  198.414   56.265  254.920   88.804  160.516   72.726   15.495   3.0610   12.249   3.0659 3.246557 4.332335 
1 1 1   -7   43   25 o   22.717   1.3746  528.836   59.059  431.143   88.023  608.822   79.648   20.669   2.1939   24.766   1.6568 -4.097052 2.749203 
1 1 1   -7   43   26 o   12.258   2.3531  154.665   61.508  262.441   94.332   74.955   81.125   15.442   3.2499   9.0738   3.4039 6.367838 4.706216 
1 1 1   -7   43   27 o   17.613   2.2251  356.251   70.122  279.987  112.815  404.264   89.514   15.448   3.7906   19.777   2.3316 -4.329885 4.450263 
1 1 1   -7   44    1 o   77.512   0.8664  5794.71  110.181  5758.16  125.600  5916.77  229.517   77.006   0.8402   78.018   1.5155 -1.012222 1.732838 
1 1 1   -7   44    2 o   21.757   1.1399  391.284   39.438  348.043   43.555  588.143   92.932   18.928   1.1854   24.585   1.9473 -5.657799 2.279709 
1 1 1   -7   44    3 o   29.338   1.0776  815.831   48.382  803.202   53.642  870.919  112.034   28.758   0.9609   29.918   1.9291 -1.159744 2.155173 
1 1 1   -7   44    4 o   59.572   2.7137  3792.31  109.090  3815.16  111.028  3154.88  586.437   62.678   0.9125   56.466   5.3502 6.211826 5.427433 
1 1 1   -7   44    5 o   31.431   4.3669  821.952   51.753  818.749   51.965  1211.69  573.219   29.036   0.9220   33.826   8.6850 -4.790911 8.733823 
1 1 1   -7   44    6 o   40.290   0.8300  1576.35   64.911  1576.35   64.911   0.0000   0.0000   40.290   0.8300  ?   ?       ?      ? 
1 1 1   -7   44    7 o   29.437   0.8986  841.543   51.350  841.543   51.350   0.0000   0.0000   29.437   0.8986  ?   ?       ?      ? 
1 1 1   -7   44    8 o   5.3162   2.2717  -1.6707   41.553  -1.6707   41.553   0.0000   0.0000   5.3162   2.2717  ?   ?       ?      ? 
1 1 1   -7   44    9 o   44.950   0.8029  1962.16   70.058  1962.16   70.058   0.0000   0.0000   44.950   0.8029  ?   ?       ?      ? 
1 1 1   -7   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   44   11 o   19.308   1.2443  362.359   46.637  362.359   46.637   0.0000   0.0000   19.308   1.2443  ?   ?       ?      ? 
1 1 1   -7   44   12 o   94.562   1.2055  8691.70  221.289  8691.70  221.289   0.0000   0.0000   94.562   1.2055  ?   ?       ?      ? 
1 1 1   -7   44   13 o   23.409   0.8676  531.311   39.322  514.209   53.373  551.614   58.153   22.999   1.1955   23.818   1.2578 -0.8197479 1.735280 
1 1 1   -7   44   14 o   45.036   0.6809  1968.59   58.751  1957.64   77.006  1983.84   90.881   44.890   0.8837   45.182   1.0362 -0.2918243 1.361848 
1 1 1   -7   44   15 o   16.818   1.2666  276.397   41.134  310.884   58.453  242.564   57.896   17.864   1.6856   15.772   1.8910 2.091987 2.533190 
1 1 1   -7   44   16 o   40.670   0.7217  1607.61   56.308  1605.90   74.168  1609.94   86.513   40.649   0.9399   40.690   1.0953 -0.4131317E-01 1.443308 
1 1 1   -7   44   17 o   24.073   0.9922  564.315   46.330  572.665   67.039  556.682   64.102   24.242   1.4246   23.904   1.3814 0.3378716 1.984394 
1 1 1   -7   44   18 o   16.741   1.6721  251.427   51.771  366.107   91.735  197.835   62.711   19.289   2.4500   14.193   2.2762 5.096469 3.344174 
1 1 1   -7   44   19 o   9.4301   2.2852   82.350   51.755   42.896   83.219  107.234   66.090   8.5583   3.3835   10.302   3.0725 -1.743446 4.570420 
1 1 1   -7   44   20 o   28.297   1.0737  777.556   57.187  805.637   93.778  760.931   72.157   28.676   1.6847   27.918   1.3315 0.7581043 2.147307 
1 1 1   -7   44   21 o   40.803   0.9368  1625.44   73.089  1642.70  113.897  1613.35   95.299   40.962   1.4324   40.645   1.2079 0.3168449 1.873686 
1 1 1   -7   44   22 o   16.607   2.0010  286.861   58.917  273.449  101.295  293.717   72.428   16.038   3.3612   17.177   2.1722 -1.139347 4.002039 
1 1 1   -7   44   23 o   9.7921   2.3340   95.148   52.265   95.369   79.551   94.980   69.326   9.8803   3.4126   9.7039   3.1851 0.1763535 4.668027 
1 1 1   -7   44   24 o   34.132   0.9789  1146.72   64.311  1149.03   97.465  1144.95   85.589   34.131   1.4711   34.133   1.2917 -0.1914978E-02 1.957716 
1 1 1   -7   44   25 o   16.595   2.0227  307.114   60.230  216.846   92.822  372.760   79.157   13.974   3.4440   19.216   2.1221 -5.242170 4.045335 
1 1 1   -7   44   26 f   13.222   2.5735  184.104   66.471  270.918  113.209  138.427   82.117   15.294   3.8235   11.150   3.4456 4.144758 5.146969 
1 1 1   -7   45    1 o   50.667   0.7608  2484.18   62.281  2476.61   70.599  2510.77  132.252   50.505   0.7201   50.828   1.3404 -0.3239517 1.521581 
1 1 1   -7   45    2 o   73.141   0.8431  5175.62   99.397  5158.30  112.559  5236.95  211.822   72.885   0.7956   73.397   1.4867 -0.5121613 1.686195 
1 1 1   -7   45    3 o   29.010   0.9240  807.200   47.315  792.703   55.992  843.406   88.489   28.568   1.0097   29.453   1.5477 -0.8848476 1.847954 
1 1 1   -7   45    4 o   37.773   4.6299  1984.36   74.271  2001.06   74.867  948.332  589.836   45.394   0.8496   30.153   9.2207 15.24094 9.259786 
1 1 1   -7   45    5 o   19.250   1.3116  360.146   49.013  360.146   49.013   0.0000   0.0000   19.250   1.3116  ?   ?       ?      ? 
1 1 1   -7   45    6 o   15.759   1.5561  241.480   47.602  241.480   47.602   0.0000   0.0000   15.759   1.5561  ?   ?       ?      ? 
1 1 1   -7   45    7 o   54.853   0.8656  2922.15   92.168  2922.15   92.168   0.0000   0.0000   54.853   0.8656  ?   ?       ?      ? 
1 1 1   -7   45    8 o   46.765   0.8358  2123.92   75.875  2123.92   75.875   0.0000   0.0000   46.765   0.8358  ?   ?       ?      ? 
1 1 1   -7   45    9 o   99.163   1.2634  9558.42  243.193  9558.42  243.193   0.0000   0.0000   99.163   1.2634  ?   ?       ?      ? 
1 1 1   -7   45   10 o   40.498   0.8488  1592.89   66.730  1592.89   66.730   0.0000   0.0000   40.498   0.8488  ?   ?       ?      ? 
1 1 1   -7   45   11 o   36.981   0.8748  1328.43   62.802  1328.43   62.802   0.0000   0.0000   36.981   0.8748  ?   ?       ?      ? 
1 1 1   -7   45   12 o   95.330   1.2282  8835.52  227.289  8835.52  227.289   0.0000   0.0000   95.330   1.2282  ?   ?       ?      ? 
1 1 1   -7   45   13 o   15.995   1.1900  246.655   36.760  223.626   49.106  276.012   55.443   15.155   1.6692   16.836   1.6965 -1.680870 2.379985 
1 1 1   -7   45   14 o   34.558   0.7262  1157.91   48.361  1138.33   64.367  1183.29   73.283   34.226   0.9688   34.890   1.0820 -0.6642418 1.452370 
1 1 1   -7   45   15 o   23.008   1.0267  514.825   45.783  557.169   65.873  475.256   63.677   23.924   1.4184   22.093   1.4848 1.831627 2.053432 
1 1 1   -7   45   16 o   28.431   0.8923  787.216   49.221  808.864   69.295  765.172   69.928   28.827   1.2383   28.035   1.2850 0.7924118 1.784530 
1 1 1   -7   45   17 o   15.145   1.4870  223.311   43.208  179.655   58.711  274.892   63.819   13.531   2.2352   16.759   1.9617 -3.227445 2.973951 
1 1 1   -7   45   18 o   18.931   1.1902  348.335   43.592  324.882   58.790  376.978   64.970   18.230   1.6613   19.633   1.7047 -1.403547 2.380358 
1 1 1   -7   45   19 o   69.245   0.9698  4670.02  129.969  4823.19  192.502  4541.71  176.189   70.274   1.4111   68.216   1.3305 2.057945 1.939501 
1 1 1   -7   45   20 o   27.454   1.1160  736.508   57.197  745.261   95.143  731.554   71.574   27.547   1.7793   27.361   1.3476 0.1857700 2.232012 
1 1 1   -7   45   21 o   8.0661   2.3078   34.589   53.647   30.998   93.133   36.372   65.629   8.5013   3.5002   7.6309   3.0086 0.8703761 4.615551 
1 1 1   -7   45   22 o   12.996   2.2063  200.926   58.561   75.725  101.842  262.773   71.578   9.7936   3.7801   16.198   2.2764 -6.404776 4.412639 
1 1 1   -7   45   23 o   21.491   1.4504  473.289   58.679  392.685   89.447  534.182   77.746   19.754   2.3326   23.228   1.7243 -3.473415 2.900710 
1 1 1   -7   45   24 o   15.848   1.9151  251.934   56.121  361.760   88.343  177.623   72.668   18.859   2.4132   12.838   2.9743 6.021250 3.830153 
1 1 1   -7   45   25 o   6.6380   2.1288 -31.9330   58.822 -46.9380   91.746 -21.4602   76.648   6.7399   3.0911   6.5361   2.9280 0.2037191 4.257691 
1 1 1   -7   45   26 o   10.844   2.6528  131.355   67.876  106.769  112.266  145.520   85.214   10.365   3.9772   11.324   3.5117 -0.9590092 5.305696 
1 1 1   -7   46    1 o   65.598   0.8312  4210.52   88.059  4234.48  100.026  4127.96  185.662   66.036   0.7803   65.161   1.4678 0.8748398 1.662331 
1 1 1   -7   46    2 o   49.874   0.7815  2477.12   61.635  2522.98   69.685  2312.33  132.099   50.975   0.7042   48.773   1.3953 2.201771 1.562918 
1 1 1   -7   46    3 o   27.417   4.6456  1061.88   62.407  1070.18   62.667   65.639  686.600   33.193   0.9726   21.640   9.2402 11.55358 9.291233 
1 1 1   -7   46    4 o   46.157   0.8231  2068.97   73.752  2068.97   73.752   0.0000   0.0000   46.157   0.8231  ?   ?       ?      ? 
1 1 1   -7   46    5 o   75.093   1.0262  5477.90  149.595  5477.90  149.595   0.0000   0.0000   75.093   1.0262  ?   ?       ?      ? 
1 1 1   -7   46    6 o   37.440   0.8514  1361.41   61.881  1361.41   61.881   0.0000   0.0000   37.440   0.8514  ?   ?       ?      ? 
1 1 1   -7   46    7 o   45.138   0.8253  1978.75   72.316  1978.75   72.316   0.0000   0.0000   45.138   0.8253  ?   ?       ?      ? 
1 1 1   -7   46    8 o   78.782   1.0551  6030.25  161.359  6030.25  161.359   0.0000   0.0000   78.782   1.0551  ?   ?       ?      ? 
1 1 1   -7   46    9 o   58.429   0.9015  3316.03  102.249  3316.03  102.249   0.0000   0.0000   58.429   0.9015  ?   ?       ?      ? 
1 1 1   -7   46   10 o   14.313   1.8115  199.555   50.331  199.555   50.331   0.0000   0.0000   14.313   1.8115  ?   ?       ?      ? 
1 1 1   -7   46   11 o   86.246   1.1316  7229.97  189.459  7229.97  189.459   0.0000   0.0000   86.246   1.1316  ?   ?       ?      ? 
1 1 1   -7   46   12 o   29.445   0.9528  842.378   54.462  842.378   54.462   0.0000   0.0000   29.445   0.9528  ?   ?       ?      ? 
1 1 1   -7   46   13 o   29.205   0.7731  827.083   43.582  810.957   58.354  847.424   65.539   28.886   1.0407   29.524   1.1436 -0.6381187 1.546215 
1 1 1   -7   46   14 o   18.592   1.1728  334.044   42.111  291.814   56.930  385.068   62.578   17.304   1.6949   19.881   1.6215 -2.576965 2.345608 
1 1 1   -7   46   15 o   18.122   1.2650  320.282   44.476  307.091   61.936  334.327   63.908   17.737   1.7989   18.508   1.7789 -0.7710209 2.529901 
1 1 1   -7   46   16 o   25.306   0.9350  625.344   45.793  647.792   63.108  600.380   66.551   25.791   1.2605   24.821   1.3812 0.9701252 1.869955 
1 1 1   -7   46   17 o   6.2723   1.9158 -14.3298   43.728   19.559   63.977 -44.0425   59.906   7.1395   2.9158   5.4052   2.4859 1.734290 3.831644 
1 1 1   -7   46   18 o   10.589   1.9802  114.485   44.411  172.064   62.032   53.938   63.610   12.973   2.5541   8.2045   3.0266 4.768730 3.960326 
1 1 1   -7   46   19 o   12.403   2.0257  175.888   50.085   73.211   83.485  233.621   62.601   9.4077   3.4679   15.397   2.0945 -5.989720 4.051316 
1 1 1   -7   46   20 o   12.349   2.1854  137.483   52.341  253.581   91.023   80.129   63.977   15.577   3.1190   9.1218   3.0620 6.455365 4.370829 
1 1 1   -7   46   21 o   26.086   1.2901  714.307   60.480  542.662   99.233  815.749   76.287   23.332   2.1909   28.841   1.3626 -5.508150 2.580115 
1 1 1   -7   46   22 o   14.885   2.1804  241.498   55.363  209.193  106.058  253.598   64.908   13.825   3.8235   15.946   2.0969 -2.121277 4.360781 
1 1 1   -7   46   23 o   7.5024   2.3252  -6.2618   57.156   21.311  112.251 -15.9127   66.410   8.7797   3.7422   6.2252   2.7610 2.554481 4.650492 
1 1 1   -7   46   24 o   25.294   1.2883  642.867   62.602  610.495   94.065  668.605   83.873   24.660   1.9651   25.928   1.6665 -1.268190 2.576535 
1 1 1   -7   46   25 o   20.886   1.7104  451.716   65.320  441.238  111.853  457.139   80.466   20.489   2.8123   21.283   1.9476 -0.7941113 3.420827 
1 1 1   -7   46   26 o   12.718   2.4829  201.210   68.923   91.431  115.241  262.344   85.998   10.004   3.9732   15.431   2.9789 -5.426951 4.965893 
1 1 1   -7   47    1 o   36.118   0.9640  1297.63   50.976  1313.54   56.193  1223.65  121.143   36.778   0.7871   35.458   1.7600 1.319710 1.928000 
1 1 1   -7   47    2 o   68.912   0.9047  4566.71  108.950  4504.40  128.186  4728.86  206.782   68.096   0.9697   69.729   1.5277 -1.632919 1.809492 
1 1 1   -7   47    3 o   69.166   0.9862  4647.35  132.409  4647.35  132.409   0.0000   0.0000   69.166   0.9862  ?   ?       ?      ? 
1 1 1   -7   47    4 o   48.782   0.8564  2311.27   81.095  2311.27   81.095   0.0000   0.0000   48.782   0.8564  ?   ?       ?      ? 
1 1 1   -7   47    5 o   53.562   0.8783  2786.56   91.319  2786.56   91.319   0.0000   0.0000   53.562   0.8783  ?   ?       ?      ? 
1 1 1   -7   47    6 o   63.803   0.9389  3954.38  116.290  3954.38  116.290   0.0000   0.0000   63.803   0.9389  ?   ?       ?      ? 
1 1 1   -7   47    7 o   31.199   0.9626  945.553   58.295  945.553   58.295   0.0000   0.0000   31.199   0.9626  ?   ?       ?      ? 
1 1 1   -7   47    8 o   31.894   0.9064  988.144   56.118  988.144   56.118   0.0000   0.0000   31.894   0.9064  ?   ?       ?      ? 
1 1 1   -7   47    9 o   56.001   0.8714  3046.42   94.732  3046.42   94.732   0.0000   0.0000   56.001   0.8714  ?   ?       ?      ? 
1 1 1   -7   47   10 o   18.509   1.3613  333.179   48.910  333.179   48.910   0.0000   0.0000   18.509   1.3613  ?   ?       ?      ? 
1 1 1   -7   47   11 o   58.334   0.9089  3305.97  102.923  3305.97  102.923   0.0000   0.0000   58.334   0.9089  ?   ?       ?      ? 
1 1 1   -7   47   12 o   20.903   1.3590  425.063   55.142  425.063   55.142   0.0000   0.0000   20.903   1.3590  ?   ?       ?      ? 
1 1 1   -7   47   13 o   7.8888   2.7330   55.013   51.040   55.013   51.040   0.0000   0.0000   7.8888   2.7330  ?   ?       ?      ? 
1 1 1   -7   47   14 o   47.263   0.7144  2174.30   63.942  2182.64   81.969  2161.35  102.193   47.389   0.8911   47.138   1.1168 0.2502174 1.428738 
1 1 1   -7   47   15 o   7.8229   1.9402   34.971   42.246 -29.3477   59.675   99.589   59.814   5.6966   2.5651   9.9492   2.9116 -4.252567 3.880375 
1 1 1   -7   47   16 f   12.708   1.8299  175.424   44.642   79.738   65.960  256.300   60.641   9.2377   3.1091   16.178   1.9309 -6.940676 3.659899 
1 1 1   -7   47   17 o   17.806   1.2299  313.927   42.004  344.318   57.140  278.198   61.957   18.769   1.5683   16.844   1.8949 1.925175 2.459762 
1 1 1   -7   47   18 o   41.291   0.7356  1664.85   58.693  1710.17   79.976  1611.94   86.407   41.909   0.9831   40.672   1.0944 1.236870 1.471112 
1 1 1   -7   47   19 o   35.621   0.9346  1252.89   62.665  1186.33  100.379  1295.39   80.216   34.805   1.4857   36.437   1.1341 -1.632721 1.869111 
1 1 1   -7   47   20 o   29.526   1.0955  861.880   59.698  839.430  100.809  874.005   74.086   29.170   1.7803   29.882   1.2772 -0.7119884 2.191046 
1 1 1   -7   47   21 o   27.306   1.2413  783.511   60.438  604.236  101.221  882.835   75.342   24.609   2.1189   30.003   1.2936 -5.394241 2.482553 
1 1 1   -7   47   22 o   21.101   1.5953  434.985   60.978  482.493  109.986  413.901   73.269   21.792   2.6000   20.410   1.8493 1.381634 3.190599 
1 1 1   -7   47   23 o   14.611   2.4008  217.142   62.667  288.901  114.951  186.797   74.752   16.063   3.7539   13.159   2.9938 2.904441 4.801569 
1 1 1   -7   47   24 o   10.860   2.3981  129.967   58.174   84.888   88.490  164.279   77.202   9.5254   3.5587   12.194   3.2155 -2.669067 4.796172 
1 1 1   -7   47   25 o   8.3407   2.3627   42.203   63.907 -77.8170  115.079   95.720   76.845   7.1177   3.3317   9.5638   3.3511 -2.446063 4.725484 
1 1 1   -7   48    1 o   80.539   0.9114  6278.62  120.810  6254.98  137.998  6356.16  249.961   80.249   0.8859   80.830   1.5931 -0.5810776 1.822814 
1 1 1   -7   48    2 o   17.650   1.6419  285.018   50.244  264.302   58.123  346.263   99.940   16.477   1.8172   18.823   2.7352 -2.346327 3.283826 
1 1 1   -7   48    3 o  104.210   1.3218 10557.35  267.380 10557.35  267.380   0.0000   0.0000  104.210   1.3218  ?   ?       ?      ? 
1 1 1   -7   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   48    5 o   61.518   0.9143  3676.09  109.186  3676.09  109.186   0.0000   0.0000   61.518   0.9143  ?   ?       ?      ? 
1 1 1   -7   48    6 o   57.700   0.9000  3234.05  100.805  3234.05  100.805   0.0000   0.0000   57.700   0.9000  ?   ?       ?      ? 
1 1 1   -7   48    7 o   65.243   0.9511  4135.62  120.454  4135.62  120.454   0.0000   0.0000   65.243   0.9511  ?   ?       ?      ? 
1 1 1   -7   48    8 o   25.572   1.1639  635.656   57.776  635.656   57.776   0.0000   0.0000   25.572   1.1639  ?   ?       ?      ? 
1 1 1   -7   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   48   11 o   75.285   1.0440  5508.85  152.570  5508.85  152.570   0.0000   0.0000   75.285   1.0440  ?   ?       ?      ? 
1 1 1   -7   48   12 o   21.507   1.2881  450.021   53.776  450.021   53.776   0.0000   0.0000   21.507   1.2881  ?   ?       ?      ? 
1 1 1   -7   48   13 o   64.011   0.9539  3983.17  118.524  3983.17  118.524   0.0000   0.0000   64.011   0.9539  ?   ?       ?      ? 
1 1 1   -7   48   14 o   48.621   0.7169  2313.45   66.346  2375.35   86.417  2224.57  103.545   49.429   0.9006   47.813   1.1156 1.615875 1.433781 
1 1 1   -7   48   15 o   22.722   1.0286  503.649   45.357  506.982   63.587  500.196   64.717   22.800   1.4367   22.644   1.4723 0.1558266 2.057125 
1 1 1   -7   48   16 o   23.486   1.0369  540.510   47.094  507.292   68.207  570.773   65.103   22.787   1.5420   24.186   1.3867 -1.398895 2.073796 
1 1 1   -7   48   17 o   7.1860   2.0319   21.203   43.895   50.271   64.113  -4.4452   60.223   8.0884   3.0277   6.2837   2.7107 1.804762 4.063834 
1 1 1   -7   48   18 o   17.763   1.2844  309.672   44.088  314.311   65.738  305.880   59.437   17.874   1.8946   17.652   1.7346 0.2221889 2.568717 
1 1 1   -7   48   19 o   25.098   0.9777  616.284   47.580  601.344   65.438  633.044   69.307   24.780   1.3604   25.417   1.4047 -0.6372147 1.955489 
1 1 1   -7   48   20 o   7.5205   2.2442   15.761   53.404   7.5300   93.944   19.691   64.912   7.9627   3.4094   7.0784   2.9192 0.8843117 4.488436 
1 1 1   -7   48   21 o   33.708   1.0387  1110.86   64.442  1140.68  110.896  1095.65   79.183   33.976   1.6814   33.439   1.2199 0.5361519 2.077331 
1 1 1   -7   48   22 o   20.005   1.7640  414.602   62.196  387.863  112.498  426.373   74.642   19.327   2.9985   20.684   1.8590 -1.356508 3.528075 
1 1 1   -7   48   23 o   16.747   2.1624  286.064   63.890  336.984  116.490  264.158   76.407   17.424   3.5642   16.069   2.4495 1.355145 4.324798 
1 1 1   -7   48   24 o   10.382   2.5515  116.856   64.085   65.154  112.024  142.008   78.133   9.4758   3.8628   11.289   3.3346 -1.812838 5.103030 
1 1 1   -7   48   25 o   17.772   2.1015  335.065   64.666  364.885  118.814  322.513   77.083   17.853   3.5534   17.691   2.2446 0.1617432 4.202952 
1 1 1   -7   49    1 o   32.511   1.0834  1018.27   49.876  1013.64   54.301  1043.28  126.142   32.304   0.8659   32.718   1.9862 -0.4138260 2.166722 
1 1 1   -7   49    2 o   42.876   0.9606  1804.24   67.461  1818.71   77.127  1757.13  139.178   43.268   0.9183   42.484   1.6876 0.7838974 1.921271 
1 1 1   -7   49    3 o   67.126   0.9735  4377.83  126.845  4377.83  126.845   0.0000   0.0000   67.126   0.9735  ?   ?       ?      ? 
1 1 1   -7   49    4 o   64.128   0.9697  3995.68  120.717  3995.68  120.717   0.0000   0.0000   64.128   0.9697  ?   ?       ?      ? 
1 1 1   -7   49    5 o   78.225   1.0651  5946.73  161.727  5946.73  161.727   0.0000   0.0000   78.225   1.0651  ?   ?       ?      ? 
1 1 1   -7   49    6 o   38.895   0.8903  1469.62   67.221  1469.62   67.221   0.0000   0.0000   38.895   0.8903  ?   ?       ?      ? 
1 1 1   -7   49    7 o   37.567   0.9170  1371.08   66.873  1371.08   66.873   0.0000   0.0000   37.567   0.9170  ?   ?       ?      ? 
1 1 1   -7   49    8 o   65.811   0.9667  4208.32  123.499  4208.32  123.499   0.0000   0.0000   65.811   0.9667  ?   ?       ?      ? 
1 1 1   -7   49    9 o   63.432   0.9463  3909.58  116.516  3909.58  116.516   0.0000   0.0000   63.432   0.9463  ?   ?       ?      ? 
1 1 1   -7   49   10 o   14.167   1.9363  195.776   53.250  195.776   53.250   0.0000   0.0000   14.167   1.9363  ?   ?       ?      ? 
1 1 1   -7   49   11 o   45.707   0.8778  2030.02   77.879  2030.02   77.879   0.0000   0.0000   45.707   0.8778  ?   ?       ?      ? 
1 1 1   -7   49   12 o   18.329   1.6268  327.588   57.879  327.588   57.879   0.0000   0.0000   18.329   1.6268  ?   ?       ?      ? 
1 1 1   -7   49   13 o   30.927   1.0573  930.507   63.475  930.507   63.475   0.0000   0.0000   30.927   1.0573  ?   ?       ?      ? 
1 1 1   -7   49   14 o   9.7093   2.0072   95.688   40.354  106.328   53.650   81.824   61.238   10.198   2.6764   9.2208   2.9920 0.9770489 4.014365 
1 1 1   -7   49   15 o   7.8594   2.0661   46.592   42.408   61.546   60.771   32.397   59.208   8.4027   2.9768   7.3160   2.8659 1.086712 4.132216 
1 1 1   -7   49   16 o   10.725   1.8179  112.229   44.715   12.733   63.847  208.004   62.642   6.9217   2.8782   14.527   2.2213 -7.605694 3.635719 
1 1 1   -7   49   17 o   8.8186   2.0697   74.399   41.395   79.451   58.607   69.369   58.475   9.0246   2.9269   8.6126   2.9272 0.4120188 4.139455 
1 1 1   -7   49   18 o   28.398   0.9165  786.481   50.411  821.590   74.329  756.574   68.600   28.978   1.3213   27.817   1.2704 1.161861 1.833028 
1 1 1   -7   49   19 o   7.0725   2.0057   4.2022   45.717   69.719   68.288 -49.0120   61.544   8.7929   3.1513   5.3522   2.4821 3.440686 4.011377 
1 1 1   -7   49   20 o   24.550   1.2917  591.563   58.118  614.262  101.094  580.358   71.029   24.819   2.0984   24.282   1.5069 0.5370426 2.583401 
1 1 1   -7   49   21 o   20.006   1.6007  398.083   57.432  415.521  103.990  390.430   68.892   20.183   2.6542   19.828   1.7899 0.3550644 3.201339 
1 1 1   -7   49   22 o   7.2974   2.3032 -19.8134   59.597   9.6428  112.764 -31.2302   70.203   8.5188   3.6920   6.0759   2.7547 2.442952 4.606486 
1 1 1   -7   49   23 o   11.213   2.5613  108.404   62.680  230.967  113.351   54.419   75.228   14.117   3.9701   8.3087   3.2372 5.808493 5.122625 
1 1 1   -7   49   24 o   10.061   2.4909  108.796   62.219   60.415   99.983  139.372   79.484   9.0072   3.6580   11.115   3.3819 -2.107326 4.981795 
1 1 1   -7   50    1 o   49.012   0.8605  2347.94   66.101  2356.78   74.215  2314.01  145.395   49.260   0.7761   48.763   1.5360 0.4967270 1.720947 
1 1 1   -7   50    2 o   46.340   0.8252  2079.52   69.868  2064.29   85.279  2110.62  121.855   46.094   0.9531   46.585   1.3475 -0.4908600 1.650490 
1 1 1   -7   50    3 o   12.666   2.5496  162.390   60.519  162.390   60.519   0.0000   0.0000   12.666   2.5496  ?   ?       ?      ? 
1 1 1   -7   50    4 o   91.161   1.1906  8078.61  210.693  8078.61  210.693   0.0000   0.0000   91.161   1.1906  ?   ?       ?      ? 
1 1 1   -7   50    5 o   80.630   1.0938  6318.54  171.201  6318.54  171.201   0.0000   0.0000   80.630   1.0938  ?   ?       ?      ? 
1 1 1   -7   50    6 o   43.499   0.9142  1838.35   77.199  1838.35   77.199   0.0000   0.0000   43.499   0.9142  ?   ?       ?      ? 
1 1 1   -7   50    7 o   62.159   0.9452  3754.22  114.049  3754.22  114.049   0.0000   0.0000   62.159   0.9452  ?   ?       ?      ? 
1 1 1   -7   50    8 o   49.959   0.8765  2424.87   84.998  2424.87   84.998   0.0000   0.0000   49.959   0.8765  ?   ?       ?      ? 
1 1 1   -7   50    9 o   72.331   1.0144  5085.23  142.429  5085.23  142.429   0.0000   0.0000   72.331   1.0144  ?   ?       ?      ? 
1 1 1   -7   50   10 o   54.860   0.9201  2925.00   97.984  2925.00   97.984   0.0000   0.0000   54.860   0.9201  ?   ?       ?      ? 
1 1 1   -7   50   11 f   42.605   0.9254  1764.62   76.535  1764.62   76.535   0.0000   0.0000   42.605   0.9254  ?   ?       ?      ? 
1 1 1   -7   50   12 o   23.151   1.2857  522.010   57.779  522.010   57.779   0.0000   0.0000   23.151   1.2857  ?   ?       ?      ? 
1 1 1   -7   50   13 o   56.374   0.9073  3090.42   99.282  3090.42   99.282   0.0000   0.0000   56.374   0.9073  ?   ?       ?      ? 
1 1 1   -7   50   14 o   25.703   0.8940  648.262   44.303  713.143   61.510  578.322   63.863   27.056   1.1711   24.350   1.3511 2.706211 1.788018 
1 1 1   -7   50   15 f   9.3315   2.0428   86.064   40.805   76.865   55.865   96.584   59.744   8.8826   2.8551   9.7804   2.9223 -0.8977823 4.085521 
1 1 1   -7   50   16 o   38.617   0.7481  1453.72   55.946  1462.78   76.642  1443.40   81.855   38.751   1.0189   38.482   1.0958 0.2684975 1.496260 
1 1 1   -7   50   17 o   34.780   0.8204  1173.93   55.210  1309.61   81.508  1058.89   75.048   36.628   1.1464   32.931   1.1740 3.696796 1.640854 
1 1 1   -7   50   18 o   23.192   1.1139  536.271   49.429  459.379   72.473  603.147   67.588   21.585   1.7296   24.799   1.4040 -3.214127 2.227737 
1 1 1   -7   50   19 o   10.387   1.8406  102.457   45.959   0.8309   65.372  201.777   64.627   6.5965   2.8348   14.177   2.3483 -7.580614 3.681146 
1 1 1   -7   50   20 o   10.957   2.0872  126.798   45.609  107.468   62.902  148.225   66.227   10.112   2.9933   11.801   2.9095 -1.688339 4.174330 
1 1 1   -7   50   21 o   15.754   2.1723  287.815   58.727  204.306  105.663  325.143   70.644   13.499   3.8461   18.008   2.0209 -4.509154 4.344664 
1 1 1   -7   50   22 o   16.959   2.0832  301.900   61.924  315.354  110.924  295.809   74.636   16.855   3.5045   17.062   2.2535 -0.2067852 4.166462 
1 1 1   -7   50   23 o   8.2352   2.3909   41.745   60.225   31.589   97.805   47.948   76.434   8.3576   3.5245   8.1128   3.2315 0.2448282 4.781702 
1 1 1   -7   51    1 o   75.250   0.9218  5509.87  112.138  5511.99  127.260  5502.50  237.177   75.325   0.8703   75.175   1.6253 0.1497803 1.843658 
1 1 1   -7   51    2 o   40.816   0.9309  1618.65   73.754  1618.65   73.754   0.0000   0.0000   40.816   0.9309  ?   ?       ?      ? 
1 1 1   -7   51    3 o   53.551   0.9432  2786.43   98.045  2786.43   98.045   0.0000   0.0000   53.551   0.9432  ?   ?       ?      ? 
1 1 1   -7   51    4 o   46.817   0.9193  2129.60   83.550  2129.60   83.550   0.0000   0.0000   46.817   0.9193  ?   ?       ?      ? 
1 1 1   -7   51    5 o   34.515   0.9742  1157.64   65.268  1157.64   65.268   0.0000   0.0000   34.515   0.9742  ?   ?       ?      ? 
1 1 1   -7   51    6 o   46.653   0.9122  2114.76   82.611  2114.76   82.611   0.0000   0.0000   46.653   0.9122  ?   ?       ?      ? 
1 1 1   -7   51    7 o   28.779   1.1422  805.309   63.807  805.309   63.807   0.0000   0.0000   28.779   1.1422  ?   ?       ?      ? 
1 1 1   -7   51    8 o   39.013   0.9534  1479.31   72.204  1479.31   72.204   0.0000   0.0000   39.013   0.9534  ?   ?       ?      ? 
1 1 1   -7   51    9 o   15.124   1.9906  223.527   58.441  223.527   58.441   0.0000   0.0000   15.124   1.9906  ?   ?       ?      ? 
1 1 1   -7   51   10 o   49.998   0.9080  2430.15   88.124  2430.15   88.124   0.0000   0.0000   49.998   0.9080  ?   ?       ?      ? 
1 1 1   -7   51   11 f   48.807   0.8887  2316.01   84.197  2316.01   84.197   0.0000   0.0000   48.807   0.8887  ?   ?       ?      ? 
1 1 1   -7   51   12 o   34.091   1.0090  1130.71   66.773  1130.71   66.773   0.0000   0.0000   34.091   1.0090  ?   ?       ?      ? 
1 1 1   -7   51   13 o   24.367   1.2678  578.800   59.965  578.800   59.965   0.0000   0.0000   24.367   1.2678  ?   ?       ?      ? 
1 1 1   -7   51   14 o   45.387   0.8689  2004.03   76.554  2004.03   76.554   0.0000   0.0000   45.387   0.8689  ?   ?       ?      ? 
1 1 1   -7   51   15 o   4.5288   1.5496 -94.6266   41.723 -94.9894   58.707 -94.2565   59.306   4.5063   2.1818   4.5514   2.2010 -0.4507971E-01 3.099159 
1 1 1   -7   51   16 o   7.7477   2.0038   40.241   43.277 -13.3922   63.996   85.439   58.748   6.2414   2.7416   9.2541   2.9230 -3.012664 4.007532 
1 1 1   -7   51   17 o   8.4448   2.1273   63.028   44.040   51.562   60.457   75.992   64.284   7.9441   2.9467   8.9455   3.0689 -1.001422 4.254536 
1 1 1   -7   51   18 o   7.8495   2.1593   43.333   47.157   41.552   69.825   44.825   63.942   7.9018   3.1071   7.7971   2.9993 0.1046705 4.318538 
1 1 1   -7   51   19 o   28.892   0.9622  820.181   53.938  808.067   77.172  831.751   75.417   28.677   1.3863   29.107   1.3348 -0.4302139 1.924429 
1 1 1   -7   51   20 o   8.5295   2.2440   61.043   51.291   25.040   78.198   88.229   67.950   7.6943   3.1912   9.3648   3.1556 -1.670511 4.487942 
1 1 1   -7   51   21 o   25.420   1.3788  642.547   64.196  665.663  111.608  631.117   78.478   25.625   2.2437   25.215   1.6033 0.4097061 2.757697 
1 1 1   -7   51   22 o   29.173   1.2688  849.807   69.158  864.777  114.766  841.272   86.660   29.250   2.0212   29.096   1.5343 0.1542397 2.537638 
1 1 1   -7   51   23 o   16.400   2.2314  289.144   66.875  347.031  109.780  254.988   84.328   17.570   3.3409   15.231   2.9588 2.338786 4.462758 
1 1 1   -7   52    1 o   36.813   0.9126  1303.77   54.947  1291.57   62.509  1345.21  115.242   36.460   0.8832   37.165   1.5974 -0.7054634 1.825292 
1 1 1   -7   52    2 o   15.500   1.9345  234.361   58.206  234.361   58.206   0.0000   0.0000   15.500   1.9345  ?   ?       ?      ? 
1 1 1   -7   52    3 o   47.455   0.9333  2188.35   85.973  2188.35   85.973   0.0000   0.0000   47.455   0.9333  ?   ?       ?      ? 
1 1 1   -7   52    4 o   65.311   0.9920  4145.73  125.761  4145.73  125.761   0.0000   0.0000   65.311   0.9920  ?   ?       ?      ? 
1 1 1   -7   52    5 o   41.144   0.9390  1645.18   74.999  1645.18   74.999   0.0000   0.0000   41.144   0.9390  ?   ?       ?      ? 
1 1 1   -7   52    6 o   21.092   1.4423  433.184   59.053  433.184   59.053   0.0000   0.0000   21.092   1.4423  ?   ?       ?      ? 
1 1 1   -7   52    7 o   27.417   1.1303  731.176   60.158  731.176   60.158   0.0000   0.0000   27.417   1.1303  ?   ?       ?      ? 
1 1 1   -7   52    8 o   51.419   0.8887  2570.02   88.702  2570.02   88.702   0.0000   0.0000   51.419   0.8887  ?   ?       ?      ? 
1 1 1   -7   52    9 f   26.400   1.1253  678.221   57.670  678.221   57.670   0.0000   0.0000   26.400   1.1253  ?   ?       ?      ? 
1 1 1   -7   52   10 o   31.046   1.0135  937.645   61.077  937.645   61.077   0.0000   0.0000   31.046   1.0135  ?   ?       ?      ? 
1 1 1   -7   52   11 o   9.5990   2.7984   92.957   55.349   92.957   55.349   0.0000   0.0000   9.5990   2.7984  ?   ?       ?      ? 
1 1 1   -7   52   12 o   20.710   1.4705  418.791   59.114  418.791   59.114   0.0000   0.0000   20.710   1.4705  ?   ?       ?      ? 
1 1 1   -7   52   13 o   26.912   1.1035  705.627   57.646  705.627   57.646   0.0000   0.0000   26.912   1.1035  ?   ?       ?      ? 
1 1 1   -7   52   14 o   15.530   1.8943  236.984   57.106  236.984   57.106   0.0000   0.0000   15.530   1.8943  ?   ?       ?      ? 
1 1 1   -7   52   15 o   22.153   1.0135  483.443   43.200  508.497   58.338  453.024   64.281   22.807   1.3177   21.499   1.5403 1.308004 2.027002 
1 1 1   -7   52   16 o   29.598   0.8836  859.716   50.596  915.386   70.420  800.309   72.744   30.603   1.1854   28.592   1.3106 2.010418 1.767197 
1 1 1   -7   52   17 f   24.568   1.0457  593.126   49.833  601.581   72.125  585.403   68.932   24.731   1.5024   24.406   1.4550 0.3247700 2.091465 
1 1 1   -7   52   18 o   21.586   1.2267  460.603   51.360  465.466   74.290  456.151   71.085   21.688   1.7646   21.484   1.7045 0.2042923 2.453431 
1 1 1   -7   52   19 o   19.934   1.2735  394.634   49.201  390.856   67.559  398.902   71.797   19.845   1.7538   20.024   1.8471 -0.1790905 2.547053 
1 1 1   -7   52   20 o   16.999   1.5012  291.057   49.500  287.169   68.519  295.300   71.590   16.891   2.0898   17.108   2.1556 -0.2178802 3.002326 
1 1 1   -7   52   21 o   18.175   1.4540  338.053   50.321  363.144   66.777  305.082   76.548   19.047   1.8061   17.303   2.2791 1.744041 2.907947 
1 1 1   -7   52   22 o   16.845   2.0202  300.674   63.818  326.231   99.629  282.892   83.105   17.238   3.0909   16.452   2.6022 0.7858925 4.040486 
1 1 1   -7   53    1 o   64.138   0.8814  4012.10   90.660  4019.44  102.603  3985.96  193.613   64.317   0.8218   63.958   1.5595 0.3591728 1.762745 
1 1 1   -7   53    2 o   44.144   0.9571  1894.18   82.017  1894.18   82.017   0.0000   0.0000   44.144   0.9571  ?   ?       ?      ? 
1 1 1   -7   53    3 o   31.448   1.1137  961.890   67.990  961.890   67.990   0.0000   0.0000   31.448   1.1137  ?   ?       ?      ? 
1 1 1   -7   53    4 o   71.903   1.0408  5027.41  145.276  5027.41  145.276   0.0000   0.0000   71.903   1.0408  ?   ?       ?      ? 
1 1 1   -7   53    5 o   20.998   1.5262  429.764   62.210  429.764   62.210   0.0000   0.0000   20.998   1.5262  ?   ?       ?      ? 
1 1 1   -7   53    6 o   41.218   0.9520  1651.89   76.168  1651.89   76.168   0.0000   0.0000   41.218   0.9520  ?   ?       ?      ? 
1 1 1   -7   53    7 o   22.287   1.4012  484.062   60.622  484.062   60.622   0.0000   0.0000   22.287   1.4012  ?   ?       ?      ? 
1 1 1   -7   53    8 o   45.615   0.9060  2023.15   80.220  2023.15   80.220   0.0000   0.0000   45.615   0.9060  ?   ?       ?      ? 
1 1 1   -7   53    9 o   25.583   1.2114  637.404   60.159  637.404   60.159   0.0000   0.0000   25.583   1.2114  ?   ?       ?      ? 
1 1 1   -7   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   53   11 o   29.744   1.0626  861.490   61.352  861.490   61.352   0.0000   0.0000   29.744   1.0626  ?   ?       ?      ? 
1 1 1   -7   53   12 o   17.505   1.5596  299.695   52.997  299.695   52.997   0.0000   0.0000   17.505   1.5596  ?   ?       ?      ? 
1 1 1   -7   53   13 o   43.837   0.9180  1870.68   78.118  1870.68   78.118   0.0000   0.0000   43.837   0.9180  ?   ?       ?      ? 
1 1 1   -7   53   14 o   11.363   2.4921  133.305   53.457  133.305   53.457   0.0000   0.0000   11.363   2.4921  ?   ?       ?      ? 
1 1 1   -7   53   15 o   11.160   1.9272  132.021   42.633  175.363   59.192   85.296   61.457   13.059   2.4242   9.2610   2.9965 3.798243 3.854341 
1 1 1   -7   53   16 o   21.795   1.1224  467.105   47.380  457.754   64.606  477.987   69.693   21.568   1.5432   22.022   1.6303 -0.4539623 2.244839 
1 1 1   -7   53   17 o   21.066   1.1961  439.485   48.777  417.875   70.450  459.382   67.600   20.550   1.7660   21.581   1.6137 -1.030508 2.392228 
1 1 1   -7   53   18 o   41.627   0.8034  1696.61   64.719  1689.09   88.083  1705.44   95.410   41.541   1.0923   41.713   1.1783 -0.1718788 1.606707 
1 1 1   -7   53   19 o   8.8173   2.2305   70.798   49.924   38.367   72.061  100.730   69.230   7.8072   3.1282   9.8273   3.1805 -2.020089 4.461054 
1 1 1   -7   53   20 o   12.552   2.1509  172.388   52.151  146.254   74.000  198.176   73.509   11.545   3.1941   13.560   2.8815 -2.015147 4.301832 
1 1 1   -7   53   21 o   22.754   1.3138  520.636   57.988  493.804   80.926  548.953   83.135   22.141   1.8829   23.367   1.8328 -1.226036 2.627673 
1 1 1   -7   53   22 o   12.005   2.5730  171.735   66.736  123.658  108.416  201.066   84.681   10.712   3.9514   13.299   3.2968 -2.586924 5.146073 
1 1 1   -7   54    1 o   55.088   0.8430  2919.40   82.493  2869.79   98.101  3039.17  152.431   54.329   0.9302   55.847   1.4061 -1.518089 1.685918 
1 1 1   -7   54    2 o   40.144   1.0353  1567.50   80.673  1567.50   80.673   0.0000   0.0000   40.144   1.0353  ?   ?       ?      ? 
1 1 1   -7   54    3 o   30.835   1.1607  925.381   69.475  925.381   69.475   0.0000   0.0000   30.835   1.1607  ?   ?       ?      ? 
1 1 1   -7   54    4 o   22.399   1.3749  488.857   59.779  488.857   59.779   0.0000   0.0000   22.399   1.3749  ?   ?       ?      ? 
1 1 1   -7   54    5 o   48.830   0.9278  2318.53   87.945  2318.53   87.945   0.0000   0.0000   48.830   0.9278  ?   ?       ?      ? 
1 1 1   -7   54    6 o   37.016   1.0260  1332.97   73.723  1332.97   73.723   0.0000   0.0000   37.016   1.0260  ?   ?       ?      ? 
1 1 1   -7   54    7 o   49.957   0.9363  2427.32   90.800  2427.32   90.800   0.0000   0.0000   49.957   0.9363  ?   ?       ?      ? 
1 1 1   -7   54    8 o   8.6826   2.9349   69.985   58.780   69.985   58.780   0.0000   0.0000   8.6826   2.9349  ?   ?       ?      ? 
1 1 1   -7   54    9 o   31.711   1.0425  978.967   64.173  978.967   64.173   0.0000   0.0000   31.711   1.0425  ?   ?       ?      ? 
1 1 1   -7   54   10 o   14.698   1.8593  211.885   53.050  211.885   53.050   0.0000   0.0000   14.698   1.8593  ?   ?       ?      ? 
1 1 1   -7   54   11 o   57.566   0.9116  3225.05  101.867  3225.05  101.867   0.0000   0.0000   57.566   0.9116  ?   ?       ?      ? 
1 1 1   -7   54   12 o   22.787   1.3324  507.202   58.935  507.202   58.935   0.0000   0.0000   22.787   1.3324  ?   ?       ?      ? 
1 1 1   -7   54   13 o   12.749   2.3417  166.183   55.818  166.183   55.818   0.0000   0.0000   12.749   2.3417  ?   ?       ?      ? 
1 1 1   -7   54   14 o   27.754   1.1614  752.673   62.569  752.673   62.569   0.0000   0.0000   27.754   1.1614  ?   ?       ?      ? 
1 1 1   -7   54   15 o   17.366   1.6244  297.205   54.762  297.205   54.762   0.0000   0.0000   17.366   1.6244  ?   ?       ?      ? 
1 1 1   -7   54   16 f   12.805   1.8929  172.022   45.410  174.965   61.783  168.563   66.970   12.964   2.5459   12.646   2.8018 0.3182030 3.785734 
1 1 1   -7   54   17 o   21.853   1.2239  470.702   51.780  508.214   76.683  439.266   70.200   22.646   1.7444   21.060   1.7171 1.585402 2.447758 
1 1 1   -7   54   18 o   10.871   2.2179  127.351   49.554  115.649   71.495  138.171   68.746   10.426   3.2139   11.317   3.0572 -0.8904047 4.435723 
1 1 1   -7   54   19 o   10.293   2.1186  106.954   50.968  184.594   71.765   27.938   72.399   13.081   2.9021   7.5039   3.0874 5.577370 4.237262 
1 1 1   -7   54   20 o   6.8978   2.1048   1.4164   51.154 -16.0841   67.814   24.523   77.921   6.2233   2.7733   7.5723   3.1668 -1.348971 4.209509 
1 1 1   -7   54   21 o   38.063   1.0809  1438.32   78.882  1491.61  122.331  1400.39  103.205   38.590   1.6330   37.536   1.4164 1.054325 2.161726 
1 1 1   -7   55    1 o   37.315   0.8319  1353.63   60.260  1353.63   60.260   0.0000   0.0000   37.315   0.8319  ?   ?       ?      ? 
1 1 1   -7   55    2 o   41.719   0.9882  1693.07   80.032  1693.07   80.032   0.0000   0.0000   41.719   0.9882  ?   ?       ?      ? 
1 1 1   -7   55    3 o   20.076   1.6817  393.760   65.536  393.760   65.536   0.0000   0.0000   20.076   1.6817  ?   ?       ?      ? 
1 1 1   -7   55    4 f   13.960   2.2655  191.469   61.393  191.469   61.393   0.0000   0.0000   13.960   2.2655  ?   ?       ?      ? 
1 1 1   -7   55    5 o   46.495   0.9284  2102.65   83.791  2102.65   83.791   0.0000   0.0000   46.495   0.9284  ?   ?       ?      ? 
1 1 1   -7   55    6 o   36.548   0.9756  1299.68   69.212  1299.68   69.212   0.0000   0.0000   36.548   0.9756  ?   ?       ?      ? 
1 1 1   -7   55    7 o   40.756   0.9276  1616.05   73.389  1616.05   73.389   0.0000   0.0000   40.756   0.9276  ?   ?       ?      ? 
1 1 1   -7   55    8 o   14.748   1.9815  213.591   56.728  213.591   56.728   0.0000   0.0000   14.748   1.9815  ?   ?       ?      ? 
1 1 1   -7   55    9 o   6.1265   2.5922   3.6973   53.185   3.6973   53.185   0.0000   0.0000   6.1265   2.5922  ?   ?       ?      ? 
1 1 1   -7   55   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   55   11 o   6.3677   2.6789   6.8704   56.288   6.8704   56.288   0.0000   0.0000   6.3677   2.6789  ?   ?       ?      ? 
1 1 1   -7   55   12 o   27.090   1.1378  716.383   59.832  716.383   59.832   0.0000   0.0000   27.090   1.1378  ?   ?       ?      ? 
1 1 1   -7   55   13 o   37.554   0.9934  1375.72   72.421  1375.72   72.421   0.0000   0.0000   37.554   0.9934  ?   ?       ?      ? 
1 1 1   -7   55   14 o   20.044   1.4564  394.801   56.670  394.801   56.670   0.0000   0.0000   20.044   1.4564  ?   ?       ?      ? 
1 1 1   -7   55   15 o   11.573   2.6171  140.489   57.415  140.489   57.415   0.0000   0.0000   11.573   2.6171  ?   ?       ?      ? 
1 1 1   -7   55   16 o   15.366   1.5163  238.945   44.649  259.575   60.404  214.098   66.291   16.150   1.9267   14.582   2.3420 1.568585 3.032697 
1 1 1   -7   55   17 o   16.343   1.5176  268.625   48.127  268.755   67.201  268.488   68.957   16.355   2.1167   16.331   2.1752 0.2366638E-01 3.035119 
1 1 1   -7   55   18 o   25.946   1.0803  666.494   54.393  645.580   75.959  688.505   77.925   25.527   1.5329   26.366   1.5226 -0.8386078 2.160544 
1 1 1   -7   55   19 o   22.689   1.2616  515.903   55.433  524.445   76.248  506.325   80.732   22.915   1.7142   22.462   1.8515 0.4521427 2.523171 
1 1 1   -7   55   20 o   9.7306   2.4133   92.604   62.877   7.0686   97.236  154.072   82.429   7.8078   3.4058   11.653   3.4202 -3.845571 4.826669 
1 1 1   -7   56    1 o   16.697   1.6482  272.571   53.422  272.571   53.422   0.0000   0.0000   16.697   1.6482  ?   ?       ?      ? 
1 1 1   -7   56    2 o   8.9637   2.9376   76.987   58.979   76.987   58.979   0.0000   0.0000   8.9637   2.9376  ?   ?       ?      ? 
1 1 1   -7   56    3 o   34.836   1.0633  1181.54   71.900  1181.54   71.900   0.0000   0.0000   34.836   1.0633  ?   ?       ?      ? 
1 1 1   -7   56    4 o   9.2213   2.9972   82.235   61.442   82.235   61.442   0.0000   0.0000   9.2213   2.9972  ?   ?       ?      ? 
1 1 1   -7   56    5 o   10.953   2.7469  123.585   58.298  123.585   58.298   0.0000   0.0000   10.953   2.7469  ?   ?       ?      ? 
1 1 1   -7   56    6 o   25.200   1.3115  619.628   64.155  619.628   64.155   0.0000   0.0000   25.200   1.3115  ?   ?       ?      ? 
1 1 1   -7   56    7 o   45.663   0.9435  2029.48   83.633  2029.48   83.633   0.0000   0.0000   45.663   0.9435  ?   ?       ?      ? 
1 1 1   -7   56    8 o   16.461   1.8424  265.997   58.870  265.997   58.870   0.0000   0.0000   16.461   1.8424  ?   ?       ?      ? 
1 1 1   -7   56    9 o   29.933   1.0988  873.425   63.844  873.425   63.844   0.0000   0.0000   29.933   1.0988  ?   ?       ?      ? 
1 1 1   -7   56   10 o   6.4076   2.6996   6.7050   57.292   6.7050   57.292   0.0000   0.0000   6.4076   2.6996  ?   ?       ?      ? 
1 1 1   -7   56   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   56   12 o   9.4930   2.8986   92.147   58.313   92.147   58.313   0.0000   0.0000   9.4930   2.8986  ?   ?       ?      ? 
1 1 1   -7   56   13 o   12.940   2.3560  172.616   56.999  172.616   56.999   0.0000   0.0000   12.940   2.3560  ?   ?       ?      ? 
1 1 1   -7   56   14 o   17.968   1.6776  318.842   58.512  318.842   58.512   0.0000   0.0000   17.968   1.6776  ?   ?       ?      ? 
1 1 1   -7   56   15 o   17.164   1.6510  291.264   55.010  291.264   55.010   0.0000   0.0000   17.164   1.6510  ?   ?       ?      ? 
1 1 1   -7   56   16 o   21.307   1.1559  455.758   46.943  546.365   65.866  362.228   66.920   23.536   1.4417   19.077   1.8071 4.458895 2.311702 
1 1 1   -7   56   17 o   32.056   0.9250  1010.70   57.457  988.096   78.559  1036.71   84.252   31.682   1.2774   32.430   1.3383 -0.7477703 1.850080 
1 1 1   -7   56   18 o   17.414   1.5438  307.414   52.122  298.317   71.591  317.674   76.034   17.152   2.1502   17.676   2.2159 -0.5242672 3.087639 
1 1 1   -7   56   19 o   9.1543   2.2016   84.623   50.818  127.270   66.503   24.777   78.781   10.735   3.0487   7.5736   3.1769 3.161265 4.403122 
1 1 1   -7   57    1 o   32.146   0.9878  1006.07   61.641  1006.07   61.641   0.0000   0.0000   32.146   0.9878  ?   ?       ?      ? 
1 1 1   -7   57    2 o   18.387   1.8279  331.568   65.241  331.568   65.241   0.0000   0.0000   18.387   1.8279  ?   ?       ?      ? 
1 1 1   -7   57    3 o   20.472   1.4428  409.479   57.338  409.479   57.338   0.0000   0.0000   20.472   1.4428  ?   ?       ?      ? 
1 1 1   -7   57    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   57    5 o   18.391   1.7541  331.625   62.622  331.625   62.622   0.0000   0.0000   18.391   1.7541  ?   ?       ?      ? 
1 1 1   -7   57    6 o   32.155   1.1249  1007.93   70.216  1007.93   70.216   0.0000   0.0000   32.155   1.1249  ?   ?       ?      ? 
1 1 1   -7   57    7 o   18.997   1.7228  354.080   63.529  354.080   63.529   0.0000   0.0000   18.997   1.7228  ?   ?       ?      ? 
1 1 1   -7   57    8 o   8.2974   2.8947   62.536   57.307   62.536   57.307   0.0000   0.0000   8.2974   2.8947  ?   ?       ?      ? 
1 1 1   -7   57    9 o   6.4662   2.6687   14.236   54.299   14.236   54.299   0.0000   0.0000   6.4662   2.6687  ?   ?       ?      ? 
1 1 1   -7   57   10 o   32.563   1.0006  1034.30   63.246  1034.30   63.246   0.0000   0.0000   32.563   1.0006  ?   ?       ?      ? 
1 1 1   -7   57   11 o   26.392   1.2712  682.074   65.125  682.074   65.125   0.0000   0.0000   26.392   1.2712  ?   ?       ?      ? 
1 1 1   -7   57   12 o   5.6258   2.5229 -22.2499   57.071 -22.2499   57.071   0.0000   0.0000   5.6258   2.5229  ?   ?       ?      ? 
1 1 1   -7   57   13 o   15.471   2.0015  238.150   60.109  238.150   60.109   0.0000   0.0000   15.471   2.0015  ?   ?       ?      ? 
1 1 1   -7   57   14 o   16.886   1.8184  283.071   59.603  283.071   59.603   0.0000   0.0000   16.886   1.8184  ?   ?       ?      ? 
1 1 1   -7   57   15 o   16.087   2.0085  259.106   62.722  259.106   62.722   0.0000   0.0000   16.087   2.0085  ?   ?       ?      ? 
1 1 1   -7   57   16 o   7.4007   2.8480   41.925   57.676   41.925   57.676   0.0000   0.0000   7.4007   2.8480  ?   ?       ?      ? 
1 1 1   -7   57   17 o   6.5033   2.0047 -17.0487   48.949 -56.1881   65.684   31.833   73.405   5.3824   2.5187   7.6243   3.1196 -2.241909 4.009430 
1 1 1   -7   57   18 o   27.851   1.0774  771.991   57.953  773.526   78.221  770.122   86.286   27.916   1.4434   27.785   1.5998 0.1316223 2.154742 
1 1 1   -7   57   19 o   6.2413   2.0629 -61.9226   61.558 -84.7729   96.087 -46.0151   80.171   6.2989   2.9780   6.1838   2.8554 0.1150064 4.125805 
1 1 1   -7   58    1 o   28.484   1.0851  790.806   59.998  790.806   59.998   0.0000   0.0000   28.484   1.0851  ?   ?       ?      ? 
1 1 1   -7   58    2 o   23.641   1.4561  546.627   66.824  546.627   66.824   0.0000   0.0000   23.641   1.4561  ?   ?       ?      ? 
1 1 1   -7   58    3 o   6.1311   2.7120 -18.0547   63.660 -18.0547   63.660   0.0000   0.0000   6.1311   2.7120  ?   ?       ?      ? 
1 1 1   -7   58    4 o   5.3953   2.4836 -43.5778   59.980 -43.5778   59.980   0.0000   0.0000   5.3953   2.4836  ?   ?       ?      ? 
1 1 1   -7   58    5 o   26.736   1.2013  697.773   62.349  697.773   62.349   0.0000   0.0000   26.736   1.2013  ?   ?       ?      ? 
1 1 1   -7   58    6 o   18.779   1.5961  345.965   58.182  345.965   58.182   0.0000   0.0000   18.779   1.5961  ?   ?       ?      ? 
1 1 1   -7   58    7 o   52.392   0.9433  2675.10   95.933  2675.10   95.933   0.0000   0.0000   52.392   0.9433  ?   ?       ?      ? 
1 1 1   -7   58    8 o   21.289   1.4148  444.239   58.465  444.239   58.465   0.0000   0.0000   21.289   1.4148  ?   ?       ?      ? 
1 1 1   -7   58    9 o   26.221   1.2675  673.078   64.518  673.078   64.518   0.0000   0.0000   26.221   1.2675  ?   ?       ?      ? 
1 1 1   -7   58   10 o   10.893   2.8526  125.028   61.032  125.028   61.032   0.0000   0.0000   10.893   2.8526  ?   ?       ?      ? 
1 1 1   -7   58   11 o   8.4406   2.8953   68.085   57.217   68.085   57.217   0.0000   0.0000   8.4406   2.8953  ?   ?       ?      ? 
1 1 1   -7   58   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   58   13 o   19.999   1.5529  394.858   60.287  394.858   60.287   0.0000   0.0000   19.999   1.5529  ?   ?       ?      ? 
1 1 1   -7   58   14 f   25.260   1.3231  627.889   64.878  627.889   64.878   0.0000   0.0000   25.260   1.3231  ?   ?       ?      ? 
1 1 1   -7   58   15 o   26.291   1.2508  680.004   63.836  680.004   63.836   0.0000   0.0000   26.291   1.2508  ?   ?       ?      ? 
1 1 1   -7   58   16 o   9.7796   3.0827  101.844   65.367  101.844   65.367   0.0000   0.0000   9.7796   3.0827  ?   ?       ?      ? 
1 1 1   -7   58   17 o   14.300   1.9443  219.304   52.545  115.110   71.346  342.813   77.678   10.268   3.2181   18.331   2.1829 -8.063244 3.888607 
1 1 1   -7   58   18 f   12.876   2.2030  189.296   54.750  215.496   73.237  156.105   82.432   14.063   2.7813   11.689   3.4172 2.373807 4.406039 
1 1 1   -7   59    1 o   12.938   2.1364  165.792   53.653  165.792   53.653   0.0000   0.0000   12.938   2.1364  ?   ?       ?      ? 
1 1 1   -7   59    2 o   27.516   1.2821  740.306   68.482  740.306   68.482   0.0000   0.0000   27.516   1.2821  ?   ?       ?      ? 
1 1 1   -7   59    3 o   22.426   1.5698  493.659   68.335  493.659   68.335   0.0000   0.0000   22.426   1.5698  ?   ?       ?      ? 
1 1 1   -7   59    4 o   50.228   0.9726  2459.62   94.829  2459.62   94.829   0.0000   0.0000   50.228   0.9726  ?   ?       ?      ? 
1 1 1   -7   59    5 o   55.688   0.9437  3023.14  102.019  3023.14  102.019   0.0000   0.0000   55.688   0.9437  ?   ?       ?      ? 
1 1 1   -7   59    6 o   10.871   2.8156  123.744   59.891  123.744   59.891   0.0000   0.0000   10.871   2.8156  ?   ?       ?      ? 
1 1 1   -7   59    7 o   29.728   1.2083  864.562   69.729  864.562   69.729   0.0000   0.0000   29.728   1.2083  ?   ?       ?      ? 
1 1 1   -7   59    8 o   29.773   1.1812  867.385   68.267  867.385   68.267   0.0000   0.0000   29.773   1.1812  ?   ?       ?      ? 
1 1 1   -7   59    9 o   8.4178   2.9450   66.207   59.339   66.207   59.339   0.0000   0.0000   8.4178   2.9450  ?   ?       ?      ? 
1 1 1   -7   59   10 o   25.211   1.1970  622.415   58.577  622.415   58.577   0.0000   0.0000   25.211   1.1970  ?   ?       ?      ? 
1 1 1   -7   59   11 o   24.922   1.2964  609.562   62.716  609.562   62.716   0.0000   0.0000   24.922   1.2964  ?   ?       ?      ? 
1 1 1   -7   59   12 o   16.399   1.9407  268.254   61.779  268.254   61.779   0.0000   0.0000   16.399   1.9407  ?   ?       ?      ? 
1 1 1   -7   59   13 o   29.300   1.1463  842.128   65.199  842.128   65.199   0.0000   0.0000   29.300   1.1463  ?   ?       ?      ? 
1 1 1   -7   59   14 o   11.042   2.8676  131.476   62.015  131.476   62.015   0.0000   0.0000   11.042   2.8676  ?   ?       ?      ? 
1 1 1   -7   59   15 o   7.7462   2.9146   50.914   59.562   50.914   59.562   0.0000   0.0000   7.7462   2.9146  ?   ?       ?      ? 
1 1 1   -7   59   16 o   18.809   1.6979  353.963   61.993  353.963   61.993   0.0000   0.0000   18.809   1.6979  ?   ?       ?      ? 
1 1 1   -7   59   17 o   13.547   1.8792  192.908   48.178  135.456   64.308  266.399   72.734   11.048   2.9451   16.047   2.3349 -4.999578 3.758370 
1 1 1   -7   60    1 o   25.911   1.1106  655.955   55.862  655.955   55.862   0.0000   0.0000   25.911   1.1106  ?   ?       ?      ? 
1 1 1   -7   60    2 o   14.158   2.3537  200.362   64.690  200.362   64.690   0.0000   0.0000   14.158   2.3537  ?   ?       ?      ? 
1 1 1   -7   60    3 o   37.488   1.0816  1372.71   78.710  1372.71   78.710   0.0000   0.0000   37.488   1.0816  ?   ?       ?      ? 
1 1 1   -7   60    4 o   14.550   2.2344  211.212   63.108  211.212   63.108   0.0000   0.0000   14.550   2.2344  ?   ?       ?      ? 
1 1 1   -7   60    5 o   8.4956   3.0751   63.849   65.215   63.849   65.215   0.0000   0.0000   8.4956   3.0751  ?   ?       ?      ? 
1 1 1   -7   60    6 o   25.449   1.3723  635.789   67.792  635.789   67.792   0.0000   0.0000   25.449   1.3723  ?   ?       ?      ? 
1 1 1   -7   60    7 o   16.235   1.9998  262.215   63.024  262.215   63.024   0.0000   0.0000   16.235   1.9998  ?   ?       ?      ? 
1 1 1   -7   60    8 o   13.490   2.5318  189.002   63.866  189.002   63.866   0.0000   0.0000   13.490   2.5318  ?   ?       ?      ? 
1 1 1   -7   60    9 o   23.248   1.4007  531.240   63.211  531.240   63.211   0.0000   0.0000   23.248   1.4007  ?   ?       ?      ? 
1 1 1   -7   60   10 o   20.969   1.5892  434.379   64.687  434.379   64.687   0.0000   0.0000   20.969   1.5892  ?   ?       ?      ? 
1 1 1   -7   60   11 o   12.977   2.6054  177.290   63.350  177.290   63.350   0.0000   0.0000   12.977   2.6054  ?   ?       ?      ? 
1 1 1   -7   60   12 o   6.4968   2.7229   12.660   57.790   12.660   57.790   0.0000   0.0000   6.4968   2.7229  ?   ?       ?      ? 
1 1 1   -7   60   13 o   17.103   1.8691  292.793   62.053  292.793   62.053   0.0000   0.0000   17.103   1.8691  ?   ?       ?      ? 
1 1 1   -7   60   14 o   16.266   1.9730  266.537   62.300  266.537   62.300   0.0000   0.0000   16.266   1.9730  ?   ?       ?      ? 
1 1 1   -7   60   15 o   13.208   2.4741  185.262   61.105  185.262   61.105   0.0000   0.0000   13.208   2.4741  ?   ?       ?      ? 
1 1 1   -7   60   16 o   9.6799   3.0509  102.280   64.028  102.280   64.028   0.0000   0.0000   9.6799   3.0509  ?   ?       ?      ? 
1 1 1   -7   61    1 o   20.678   1.4374  420.331   57.696  420.331   57.696   0.0000   0.0000   20.678   1.4374  ?   ?       ?      ? 
1 1 1   -7   61    2 o   32.349   1.0839  1023.13   68.066  1023.13   68.066   0.0000   0.0000   32.349   1.0839  ?   ?       ?      ? 
1 1 1   -7   61    3 o   16.291   1.9330  263.608   61.130  263.608   61.130   0.0000   0.0000   16.291   1.9330  ?   ?       ?      ? 
1 1 1   -7   61    4 o   13.411   2.5371  186.865   63.629  186.865   63.629   0.0000   0.0000   13.411   2.5371  ?   ?       ?      ? 
1 1 1   -7   61    5 o   17.858   1.7977  315.776   62.318  315.776   62.318   0.0000   0.0000   17.858   1.7977  ?   ?       ?      ? 
1 1 1   -7   61    6 o   14.220   2.1973  202.285   60.654  202.285   60.654   0.0000   0.0000   14.220   2.1973  ?   ?       ?      ? 
1 1 1   -7   61    7 o   8.7597   2.9547   75.178   59.574   75.178   59.574   0.0000   0.0000   8.7597   2.9547  ?   ?       ?      ? 
1 1 1   -7   61    8 o   6.8115   2.8557   13.248   63.603   13.248   63.603   0.0000   0.0000   6.8115   2.8557  ?   ?       ?      ? 
1 1 1   -7   61    9 o   25.616   1.3679  645.883   68.019  645.883   68.019   0.0000   0.0000   25.616   1.3679  ?   ?       ?      ? 
1 1 1   -7   61   10 f   6.4135   2.7927  -4.1989   65.124  -4.1989   65.124   0.0000   0.0000   6.4135   2.7927  ?   ?       ?      ? 
1 1 1   -7   61   11 o   6.7478   2.8052   17.249   60.626   17.249   60.626   0.0000   0.0000   6.7478   2.8052  ?   ?       ?      ? 
1 1 1   -7   61   12 o   29.814   1.2419  875.006   71.875  875.006   71.875   0.0000   0.0000   29.814   1.2419  ?   ?       ?      ? 
1 1 1   -7   61   13 o   9.4560   2.8949   95.427   58.119   95.427   58.119   0.0000   0.0000   9.4560   2.8949  ?   ?       ?      ? 
1 1 1   -7   61   14 o   11.591   2.8863  147.467   64.695  147.467   64.695   0.0000   0.0000   11.591   2.8863  ?   ?       ?      ? 
1 1 1   -7   61   15 o   21.357   1.6353  457.092   67.796  457.092   67.796   0.0000   0.0000   21.357   1.6353  ?   ?       ?      ? 
1 1 1   -7   62    1 o   11.138   2.6853  130.842   57.381  130.842   57.381   0.0000   0.0000   11.138   2.6853  ?   ?       ?      ? 
1 1 1   -7   62    2 o   19.705   1.7776  384.729   67.997  384.729   67.997   0.0000   0.0000   19.705   1.7776  ?   ?       ?      ? 
1 1 1   -7   62    3 o   18.800   1.8477  350.897   67.431  350.897   67.431   0.0000   0.0000   18.800   1.8477  ?   ?       ?      ? 
1 1 1   -7   62    4 o   12.425   2.5924  161.925   60.504  161.925   60.504   0.0000   0.0000   12.425   2.5924  ?   ?       ?      ? 
1 1 1   -7   62    5 o   24.380   1.3924  584.834   65.896  584.834   65.896   0.0000   0.0000   24.380   1.3924  ?   ?       ?      ? 
1 1 1   -7   62    6 o   18.769   1.7753  349.844   64.682  349.844   64.682   0.0000   0.0000   18.769   1.7753  ?   ?       ?      ? 
1 1 1   -7   62    7 o   18.945   1.8081  357.173   66.495  357.173   66.495   0.0000   0.0000   18.945   1.8081  ?   ?       ?      ? 
1 1 1   -7   62    8 o   11.853   2.9317  151.198   67.078  151.198   67.078   0.0000   0.0000   11.853   2.9317  ?   ?       ?      ? 
1 1 1   -7   62    9 o   12.891   2.6128  175.951   63.144  175.951   63.144   0.0000   0.0000   12.891   2.6128  ?   ?       ?      ? 
1 1 1   -7   62   10 o   31.853   1.1488  996.484   71.035  996.484   71.035   0.0000   0.0000   31.853   1.1488  ?   ?       ?      ? 
1 1 1   -7   62   11 o   6.6985   2.8586   8.0967   65.640   8.0967   65.640   0.0000   0.0000   6.6985   2.8586  ?   ?       ?      ? 
1 1 1   -7   62   12 o   8.1172   2.9849   60.366   61.796   60.366   61.796   0.0000   0.0000   8.1172   2.9849  ?   ?       ?      ? 
1 1 1   -7   62   13 o   26.282   1.3874  685.123   70.784  685.123   70.784   0.0000   0.0000   26.282   1.3874  ?   ?       ?      ? 
1 1 1   -7   62   14 o   35.409   1.0436  1233.09   71.733  1233.09   71.733   0.0000   0.0000   35.409   1.0436  ?   ?       ?      ? 
1 1 1   -7   63    1 o   15.242   1.9172  231.863   56.725  231.863   56.725   0.0000   0.0000   15.242   1.9172  ?   ?       ?      ? 
1 1 1   -7   63    2 o   29.472   1.3084  854.160   74.852  854.160   74.852   0.0000   0.0000   29.472   1.3084  ?   ?       ?      ? 
1 1 1   -7   63    3 o   10.987   3.0425  129.659   67.111  129.659   67.111   0.0000   0.0000   10.987   3.0425  ?   ?       ?      ? 
1 1 1   -7   63    4 o   15.699   2.1804  248.247   66.448  248.247   66.448   0.0000   0.0000   15.699   2.1804  ?   ?       ?      ? 
1 1 1   -7   63    5 o   17.715   1.9839  314.358   68.223  314.358   68.223   0.0000   0.0000   17.715   1.9839  ?   ?       ?      ? 
1 1 1   -7   63    6 o   10.368   3.0962  115.091   67.081  115.091   67.081   0.0000   0.0000   10.368   3.0962  ?   ?       ?      ? 
1 1 1   -7   63    7 o   7.8270   3.0231   47.233   65.170   47.233   65.170   0.0000   0.0000   7.8270   3.0231  ?   ?       ?      ? 
1 1 1   -7   63    8 o   20.357   1.6425  412.035   64.906  412.035   64.906   0.0000   0.0000   20.357   1.6425  ?   ?       ?      ? 
1 1 1   -7   63    9 o   30.385   1.2081  908.441   71.259  908.441   71.259   0.0000   0.0000   30.385   1.2081  ?   ?       ?      ? 
1 1 1   -7   63   10 o   10.964   2.9320  131.183   63.614  131.183   63.614   0.0000   0.0000   10.964   2.9320  ?   ?       ?      ? 
1 1 1   -7   63   11 o   13.969   2.1808  199.179   59.136  199.179   59.136   0.0000   0.0000   13.969   2.1808  ?   ?       ?      ? 
1 1 1   -7   63   12 o   16.402   2.1374  275.265   68.053  275.265   68.053   0.0000   0.0000   16.402   2.1374  ?   ?       ?      ? 
1 1 1   -7   64    1 o   9.3402   2.8489   91.880   56.355   91.880   56.355   0.0000   0.0000   9.3402   2.8489  ?   ?       ?      ? 
1 1 1   -7   64    2 o   15.704   2.1171  248.679   64.538  248.679   64.538   0.0000   0.0000   15.704   2.1171  ?   ?       ?      ? 
1 1 1   -7   64    3 o   18.022   1.8768  324.984   65.658  324.984   65.658   0.0000   0.0000   18.022   1.8768  ?   ?       ?      ? 
1 1 1   -7   64    4 o   10.362   2.9264  115.553   61.453  115.553   61.453   0.0000   0.0000   10.362   2.9264  ?   ?       ?      ? 
1 1 1   -7   64    5 o   13.430   2.6218  191.268   65.897  191.268   65.897   0.0000   0.0000   13.430   2.6218  ?   ?       ?      ? 
1 1 1   -7   64    6 o   18.776   1.7707  352.151   64.536  352.151   64.536   0.0000   0.0000   18.776   1.7707  ?   ?       ?      ? 
1 1 1   -7   64    7 o   19.518   1.7170  380.289   65.054  380.289   65.054   0.0000   0.0000   19.518   1.7170  ?   ?       ?      ? 
1 1 1   -7   64    8 o   10.804   3.0904  127.965   68.082  127.965   68.082   0.0000   0.0000   10.804   3.0904  ?   ?       ?      ? 
1 1 1   -7   64    9 o   6.7521   2.8738   10.897   66.025   10.897   66.025   0.0000   0.0000   6.7521   2.8738  ?   ?       ?      ? 
1 1 1   -7   64   10 o   28.488   1.1689  800.165   64.639  800.165   64.639   0.0000   0.0000   28.488   1.1689  ?   ?       ?      ? 
1 1 1   -7   64   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -7   65    1 o   6.7817   2.7788   22.708   58.347   22.708   58.347   0.0000   0.0000   6.7817   2.7788  ?   ?       ?      ? 
1 1 1   -7   65    2 o   9.0739   3.0636   84.305   64.049   84.305   64.049   0.0000   0.0000   9.0739   3.0636  ?   ?       ?      ? 
1 1 1   -7   65    3 o   12.018   2.8039  156.216   64.214  156.216   64.214   0.0000   0.0000   12.018   2.8039  ?   ?       ?      ? 
1 1 1   -7   65    4 o   10.114   3.0350  110.667   64.342  110.667   64.342   0.0000   0.0000   10.114   3.0350  ?   ?       ?      ? 
1 1 1   -7   65    5 o   14.418   2.3376  212.991   65.425  212.991   65.425   0.0000   0.0000   14.418   2.3376  ?   ?       ?      ? 
1 1 1   -7   65    6 o   20.553   1.6651  422.013   66.433  422.013   66.433   0.0000   0.0000   20.553   1.6651  ?   ?       ?      ? 
1 1 1   -7   65    7 o   9.5570   3.0780   97.953   64.903   97.953   64.903   0.0000   0.0000   9.5570   3.0780  ?   ?       ?      ? 
1 1 1   -7   65    8 o   7.4459   3.0621   30.995   71.172   30.995   71.172   0.0000   0.0000   7.4459   3.0621  ?   ?       ?      ? 
1 1 1   -7   65    9 o   23.637   1.4992  557.091   68.789  557.091   68.789   0.0000   0.0000   23.637   1.4992  ?   ?       ?      ? 
1 1 1   -7   66    1 o   20.449   1.6146  417.573   64.091  417.573   64.091   0.0000   0.0000   20.449   1.6146  ?   ?       ?      ? 
1 1 1   -7   66    2 f   24.407   1.5462  593.508   73.256  593.508   73.256   0.0000   0.0000   24.407   1.5462  ?   ?       ?      ? 
1 1 1   -7   66    3 o   7.1961   2.9718   26.239   67.400   26.239   67.400   0.0000   0.0000   7.1961   2.9718  ?   ?       ?      ? 
1 1 1   -7   66    4 o   10.672   3.0604  126.119   66.687  126.119   66.687   0.0000   0.0000   10.672   3.0604  ?   ?       ?      ? 
1 1 1   -7   66    5 o   23.934   1.4702  570.142   68.308  570.142   68.308   0.0000   0.0000   23.934   1.4702  ?   ?       ?      ? 
1 1 1   -7   66    6 o   4.9642   2.3722 -76.0053   64.296 -76.0053   64.296   0.0000   0.0000   4.9642   2.3722  ?   ?       ?      ? 
1 1 1   -7   66    7 o   7.6972   2.9903   48.074   64.049   48.074   64.049   0.0000   0.0000   7.6972   2.9903  ?   ?       ?      ? 
1 1 1   -7   67    1 o   9.9646   3.0994  109.435   66.322  109.435   66.322   0.0000   0.0000   9.9646   3.0994  ?   ?       ?      ? 
1 1 1   -7   67    2 o   13.178   2.9084  191.741   72.405  191.741   72.405   0.0000   0.0000   13.178   2.9084  ?   ?       ?      ? 
1 1 1   -6    0    1 o   57.202   0.6785  3178.56   75.296  3172.98  106.106  3184.22  106.867   57.151   0.9570   57.252   0.9622 -0.000000 0.000000 
1 1 1   -6    0    2 o  185.062   2.3769 33272.25  852.920 32593.10  1186.53 33998.41  1226.90  183.109   3.3406  187.015   3.3821 -0.000000 0.000000 
1 1 1   -6    0    3 o  146.796   1.4250 20932.13  405.894 20995.61  573.158 20868.27  574.887  147.020   2.0092  146.572   2.0214 -0.000000 0.000000 
1 1 1   -6    0    4 o   57.863   0.6923  3250.95   77.688  3335.85  111.376  3170.50  108.418   58.599   0.9797   57.127   0.9783 -0.000000 0.000000 
1 1 1   -6    0    5 o   21.073   0.4649  432.058   18.966  425.467   26.355  439.138   27.315   20.906   0.6508   21.239   0.6640 -0.000000 0.000000 
1 1 1   -6    0    6 o   40.122   1.7567  1375.20   50.692  1360.45   51.533  1816.18  281.815   37.418   0.7101   42.827   3.4410 -0.000000 0.000000 
1 1 1   -6    0    7 o   31.815   2.9386  1237.81   47.739  1249.95   48.464  841.468  276.931   35.865   0.6967   27.764   5.8358 -0.000000 0.000000 
1 1 1   -6    0    8 o   55.990   2.6993  3091.17  289.686  3298.65  410.013  2884.37  409.342   57.923   3.6806   54.057   3.9494 -0.000000 0.000000 
1 1 1   -6    0    9 o  198.762   2.5081 38406.29  966.975 38625.28  1363.01 38184.38  1372.06  199.335   3.5250  198.189   3.5690 -0.000000 0.000000 
1 1 1   -6    0   10 o  290.599   2.6174 82047.16  1475.76 82137.14  2071.58 81954.44  2102.86  290.763   3.6716  290.435   3.7313 -0.000000 0.000000 
1 1 1   -6    0   11 o  346.055   2.7163 116319.80  1824.11 118017.60  2591.31 114652.10  2568.21  348.560   3.8309  343.550   3.8521 -0.000000 0.000000 
1 1 1   -6    0   12 o  471.461   2.5699 215424.09  2201.47 214596.91  2675.57 217158.00  3873.61  470.115   2.9321  472.807   4.2213 -0.000000 0.000000 
1 1 1   -6    0   13 o   21.269   4.3654  761.209   58.565  771.433   59.096  200.208  437.746   28.129   1.0860   14.408   8.6630 -0.000000 0.000000 
1 1 1   -6    0   14 f  368.231   2.4208 132208.59  1573.64 132923.50  1873.20 130493.90  2900.93  369.988   2.6084  366.474   4.0790 -0.000000 0.000000 
1 1 1   -6    0   15 o  366.330   2.4242 131085.91  1567.14 132126.80  1866.24 128596.50  2886.07  368.873   2.6066  363.786   4.0881 -0.000000 0.000000 
1 1 1   -6    0   16 o   57.690   2.8387  2836.47  122.520  2801.58  124.741  3790.43  652.266   53.683   1.1984   61.696   5.5495 -0.000000 0.000000 
1 1 1   -6    0   17 o   44.039   3.5924  1980.41  107.117  1982.23  109.275  1935.56  541.650   45.137   1.2493   42.941   7.0754 -0.000000 0.000000 
1 1 1   -6    0   18 o   39.772   4.0523  1567.46   98.423  1563.12  100.081  1695.16  542.919   40.065   1.2899   39.479   8.0013 -0.000000 0.000000 
1 1 1   -6    0   19 o   56.100   4.2176  3294.77  144.903  3303.30  147.278  3036.63  810.106   58.289   1.3031   53.910   8.3340 -0.000000 0.000000 
1 1 1   -6    0   20 o  132.756   2.4727 17410.58  451.610 17510.08  490.122 16851.03  1162.27  134.233   1.8818  131.279   4.5734 -0.000000 0.000000 
1 1 1   -6    0   21 o   61.689   3.5363  4290.13  172.783  4351.07  177.837  3263.59  729.929   66.899   1.3707   56.479   6.9385 -0.000000 0.000000 
1 1 1   -6    0   22 o  213.831   2.5363 44310.55  867.500 44122.27  979.706 44994.14  1866.82  213.025   2.3699  214.637   4.4850 -0.000000 0.000000 
1 1 1   -6    0   23 o   69.104   3.4098  4791.15  190.753  4797.39  195.624  4670.35  860.184   70.239   1.4361   67.970   6.6666 -0.000000 0.000000 
1 1 1   -6    0   24 o   80.437   3.3302  5931.17  221.519  5883.61  226.807  6915.71  1031.86   77.785   1.5034   83.088   6.4886 -0.000000 0.000000 
1 1 1   -6    0   25 o   63.322   4.3269  3961.17  177.194  3955.04  180.119  4145.42  987.273   63.758   1.4570   62.886   8.5303 -0.000000 0.000000 
1 1 1   -6    0   26 o   25.226   6.7586  758.483  118.171  759.261  119.031  705.210  984.905   27.666   2.2506   22.785   13.329 -0.000000 0.000000 
1 1 1   -6    0   27 o   30.892   2.0809  941.022  123.490  941.022  123.490   0.0000   0.0000   30.892   2.0809   30.892   2.0809 -0.000000 0.000000 
1 1 1   -6    0   28 o   18.346   3.7146  366.552  117.142  366.552  117.142   0.0000   0.0000   18.346   3.7146   18.346   3.7146 -0.000000 0.000000 
1 1 1   -6    0   29 o   35.519   2.0390  1241.84  139.525  1241.84  139.525   0.0000   0.0000   35.519   2.0390   35.519   2.0390 -0.000000 0.000000 
1 1 1   -6    0   30 o   53.334   1.6418  2779.35  169.616  2779.35  169.616   0.0000   0.0000   53.334   1.6418   53.334   1.6418 -0.000000 0.000000 
1 1 1   -6    0   31 o   38.512   1.9563  1461.14  145.394  1461.14  145.394   0.0000   0.0000   38.512   1.9563   38.512   1.9563 -0.000000 0.000000 
1 1 1   -6    0   32 o   25.210   2.9361  655.634  138.598  655.634  138.598   0.0000   0.0000   25.210   2.9361   25.210   2.9361 -0.000000 0.000000 
1 1 1   -6    0   33 o   36.516   2.1346  1327.54  150.126  1327.54  150.126   0.0000   0.0000   36.516   2.1346   36.516   2.1346 -0.000000 0.000000 
1 1 1   -6    0   34 o   25.587   3.1640  690.182  150.696  690.182  150.696   0.0000   0.0000   25.587   3.1640   25.587   3.1640 -0.000000 0.000000 
1 1 1   -6    0   35 o   57.147   1.8954  3245.65  209.738  3245.65  209.738   0.0000   0.0000   57.147   1.8954   57.147   1.8954 -0.000000 0.000000 
1 1 1   -6    1    1 o   86.371   0.6779  7237.96  113.640  7409.09  162.784  7075.27  158.716   87.367   0.9598   85.376   0.9577 1.990829 1.355894 
1 1 1   -6    1    2 o   77.152   0.6078  5777.08   91.024  5845.75  129.633  5710.29  127.841   77.604   0.8605   76.700   0.8586 0.9043503 1.215630 
1 1 1   -6    1    3 o  205.050   1.4072 40827.11  560.112 40919.81  793.707 40735.14  790.540  205.281   1.9918  204.818   1.9883 0.4635773 2.814384 
1 1 1   -6    1    4 o  253.484   1.7261 62408.57  849.294 61636.11  1192.06 63204.87  1210.31  251.892   2.4379  255.077   2.4443 -3.184860 3.452277 
1 1 1   -6    1    5 o  243.164   1.6104 57472.30  752.626 57668.70  997.541 57212.76  1146.73  243.662   2.1090  242.666   2.4344 0.9957428 3.220885 
1 1 1   -6    1    6 o  187.219   1.3545 34036.44  492.233 34411.89  701.652 33672.61  690.720  188.235   1.9202  186.203   1.9110 2.032364 2.709075 
1 1 1   -6    1    7 o  236.805   1.4957 54449.44  687.443 53649.20  962.690 55282.08  981.979  235.030   2.1101  238.579   2.1203 -3.549179 2.991358 
1 1 1   -6    1    8 o  202.540   1.7518 39849.48  688.760 39836.25  973.428 39862.74  974.679  202.506   2.4763  202.573   2.4786 -0.6716919E-01 3.503665 
1 1 1   -6    1    9 o  235.420   1.7941 53822.99  819.865 53495.27  1153.70 54157.34  1165.32  234.696   2.5323  236.143   2.5422 -1.447281 3.588223 
1 1 1   -6    1   10 o  349.424   1.9108 118531.40  1295.76 120325.40  1856.96 116829.00  1808.95  351.999   2.7177  346.849   2.6867 5.149658 3.821526 
1 1 1   -6    1   11 o  204.581   1.8180 40632.49  721.904 41352.33  1028.22 39932.72  1013.78  206.368   2.5667  202.794   2.5753 3.573486 3.635948 
1 1 1   -6    1   12 o  281.111   1.6653 76547.24  868.674 77345.84  1465.35 76114.53  1078.64  282.223   2.6748  279.999   1.9845 2.223969 3.330559 
1 1 1   -6    1   13 o  148.595   1.1418 21434.93  329.345 21316.95  464.517 21554.18  467.021  148.184   1.6149  149.006   1.6146 -0.8222656 2.283583 
1 1 1   -6    1   14 o  227.110   1.3507 50077.83  595.488 50168.27  841.460 49987.09  842.835  227.316   1.9069  226.905   1.9135 0.4110870 2.701486 
1 1 1   -6    1   15 o  119.077   1.1026 13765.33  254.846 13772.77  362.230 13758.04  358.612  119.109   1.5667  119.045   1.5518 0.6346130E-01 2.205140 
1 1 1   -6    1   16 f   63.846   0.8504  3952.31  105.329  3819.14  145.791  4097.73  152.341   62.723   1.1974   64.970   1.2079 -2.247360 1.700838 
1 1 1   -6    1   17 o  179.949   1.3219 31447.14  461.755 31487.51  656.077 31407.51  650.005  180.063   1.8770  179.835   1.8620 0.2280426 2.643893 
1 1 1   -6    1   18 o   83.565   0.9880  6780.21  160.268  6695.85  225.416  6866.46  227.910   83.040   1.3984   84.091   1.3962 -1.051376 1.976091 
1 1 1   -6    1   19 o   98.993   1.0615  9516.85  203.985  9532.84  287.553  9500.66  289.413   99.077   1.4951   98.909   1.5074 0.1678162 2.123095 
1 1 1   -6    1   20 o  216.990   1.4544 45770.12  612.606 45843.81  865.708 45696.20  867.005  217.165   2.0536  216.815   2.0600 0.3509521 2.908759 
1 1 1   -6    1   21 o   57.713   2.7905  3223.10  309.982  3877.69  461.750  2686.08  418.236   63.012   3.7750   52.414   4.1107 10.59803 5.581066 
1 1 1   -6    1   22 o   78.894   1.0274  6041.65  157.264  6233.16  226.879  5864.53  218.186   80.096   1.4592   77.692   1.4467 2.403854 2.054834 
1 1 1   -6    1   23 o   79.598   1.0450  6155.04  161.397  6246.06  232.109  6069.82  224.578   80.166   1.4915   79.029   1.4639 1.137115 2.089915 
1 1 1   -6    1   24 o   26.618   1.4560  683.475   74.715  581.091  100.951  807.488  111.104   24.431   2.1287   28.805   1.9870 -4.374298 2.911937 
1 1 1   -6    1   25 o   44.741   1.1142  1947.57   96.714  2023.31  136.681  1871.62  136.867   45.614   1.5436   43.867   1.6073 1.746620 2.228487 
1 1 1   -6    1   26 o   16.805   2.4926  284.901   80.343  358.978  114.351  212.683  112.906   19.147   3.0765   14.462   3.9226 4.685733 4.985171 
1 1 1   -6    1   27 o   15.251   2.7157  237.344   80.821  279.589  116.378  197.991  112.326   16.526   3.7177   13.977   3.9597 2.549666 5.431433 
1 1 1   -6    1   28 o   18.992   2.3166  362.144   83.185  397.167  117.082  326.442  118.209   20.101   3.0006   17.884   3.5304 2.217550 4.633281 
1 1 1   -6    1   29 o   63.728   1.1268  3962.84  139.355  3965.43  199.444  3960.37  194.794   63.745   1.6118   63.712   1.5750 0.3289032E-01 2.253578 
1 1 1   -6    1   30 o   35.091   1.4532  1212.40   98.115  1014.74  136.865  1421.36  140.727   32.112   2.1956   38.070   1.9043 -5.957729 2.906347 
1 1 1   -6    1   31 o   30.647   1.6182  931.830   95.924  840.521  135.412  1023.80  135.902   29.108   2.3965   32.187   2.1751 -3.078545 3.236419 
1 1 1   -6    1   32 f   27.083   1.8613  738.929   97.763  784.733  141.028  696.553  135.645   27.901   2.6038   26.265   2.6604 1.635750 3.722630 
1 1 1   -6    1   33 o   24.378   2.0820  612.369   97.574  718.591  140.021  512.096  136.044   26.539   2.7180   22.216   3.1546 4.322285 4.164000 
1 1 1   -6    1   34 o   23.402   2.3240  582.272  104.838  670.867  151.202  500.246  145.488   25.237   3.0865   21.567   3.4752 3.669905 4.647915 
1 1 1   -6    1   35 o   16.612   3.2350  341.741  110.884  243.466  152.024  453.455  162.085   13.949   4.7199   19.276   4.4253 -5.326973 6.470015 
1 1 1   -6    2    1 o   40.972   0.3767  1629.26   29.958  1614.42   42.198  1644.34   42.538   40.783   0.5330   41.160   0.5324 -0.3762817 0.7533703 
1 1 1   -6    2    2 o  171.939   1.0973 28700.78  366.256 28703.33  518.243 28698.23  517.685  171.947   1.5527  171.931   1.5511 0.1524353E-01 2.194699 
1 1 1   -6    2    3 o  146.307   0.9976 20780.45  283.327 20618.22  399.493 20944.62  401.888  145.732   1.4122  146.881   1.4095 -1.149033 1.995245 
1 1 1   -6    2    4 o  116.485   0.9959 13230.54  219.521 12913.80  350.000 13435.95  281.851  115.327   1.5634  117.643   1.2342 -2.316475 1.991862 
1 1 1   -6    2    5 o   96.105   0.7399  8964.81  138.014  8843.52  193.809  9089.60  196.581   95.445   1.0461   96.764   1.0466 -1.318832 1.479702 
1 1 1   -6    2    6 o  237.886   1.6152 55140.73  738.667 56245.11  984.245 53716.56  1117.70  240.637   2.1071  235.135   2.4487 5.501953 3.230481 
1 1 1   -6    2    7 o  100.479   1.3739  9617.95  227.885  9455.42  259.822 10159.82  474.421   98.688   1.3563  102.270   2.3898 -3.581306 2.747797 
1 1 1   -6    2    8 o   44.629   1.9177  1935.40  166.100  1889.11  234.875  1981.70  234.928   44.095   2.7440   45.164   2.6797 -1.068752 3.835376 
1 1 1   -6    2    9 o   34.187   2.2457  1143.99  147.915  1029.85  215.180  1246.24  203.663   32.556   3.4049   35.818   2.9291 -3.262493 4.491469 
1 1 1   -6    2   10 o   75.745   1.8876  5571.38  277.542  5577.26  393.852  5565.59  391.169   75.784   2.6773   75.705   2.6618 0.7913208E-01 3.775293 
1 1 1   -6    2   11 o  155.816   1.4998 23396.11  410.468 23981.82  770.642 23164.13  484.988  157.158   2.5261  154.474   1.6174 2.684219 2.999517 
1 1 1   -6    2   12 o   91.508   1.5310  8094.87  207.275  8184.59  494.953  8075.79  228.254   91.804   2.7774   91.211   1.2891 0.5927811 3.061990 
1 1 1   -6    2   13 o   97.651   0.9551  9253.42  180.981  8885.88  253.600  9634.88  258.359   95.676   1.3655   99.627   1.3359 -3.951027 1.910291 
1 1 1   -6    2   14 f  398.463   1.5859 154151.00  1226.52 155369.59  1749.70 152973.70  1719.79  400.010   2.2533  396.915   2.2321 3.094635 3.171726 
1 1 1   -6    2   15 o  351.944   1.5371 120274.30  1050.16 120268.60  1484.96 120280.00  1485.33  351.936   2.1736  351.952   2.1741 -0.1651001E-01 3.074296 
1 1 1   -6    2   16 o  151.031   1.2426 22145.13  364.257 22362.50  519.776 21935.35  510.620  151.759   1.7644  150.303   1.7501 1.455872 2.485147 
1 1 1   -6    2   17 f   89.796   1.0207  7825.48  177.872  7659.80  248.436  7999.72  254.784   88.821   1.4409   90.770   1.4460 -1.949310 2.041336 
1 1 1   -6    2   18 o   43.724   0.8839  1856.26   75.016  1860.53  105.822  1851.94  106.358   43.774   1.2453   43.673   1.2546 0.1012459 1.767704 
1 1 1   -6    2   19 o   35.023   0.9602  1191.72   65.123  1086.00   91.345  1301.01   92.870   33.442   1.4071   36.604   1.3070 -3.162281 1.920483 
1 1 1   -6    2   20 o   88.466   1.0277  7602.11  176.480  7508.66  249.475  7695.71  249.685   87.921   1.4617   89.011   1.4451 -1.089211 2.055447 
1 1 1   -6    2   21 o   72.221   0.9482  5065.28  132.912  5143.60  189.860  4990.00  186.128   72.769   1.3441   71.674   1.3378 1.094429 1.896361 
1 1 1   -6    2   22 o   59.895   0.9612  3482.94  111.719  3369.41  155.912  3602.75  160.163   58.892   1.3638   60.898   1.3549 -2.005424 1.922408 
1 1 1   -6    2   23 o  197.301   1.4821 37886.35  567.568 37758.86  808.534 38010.21  796.915  196.969   2.1146  197.633   2.0772 -0.6639404 2.964217 
1 1 1   -6    2   24 o   69.826   1.0228  4741.70  138.553  4850.63  194.225  4628.82  197.709   70.645   1.4163   69.007   1.4759 1.638237 2.045552 
1 1 1   -6    2   25 o   11.684   2.6788  115.514   74.805  202.813  108.413   36.180  103.349   14.142   3.8471   9.2257   3.7287 4.916161 5.357522 
1 1 1   -6    2   26 o   76.961   1.1201  5761.78  167.284  5782.37  239.739  5742.25  233.534   77.093   1.6020   76.829   1.5659 0.2638016 2.240160 
1 1 1   -6    2   27 o   31.329   1.4402  953.956   87.139  1096.87  126.987  826.775  119.793   33.546   1.9501   29.113   2.1197 4.432816 2.880320 
1 1 1   -6    2   28 o   30.181   1.5230  887.494   89.094  935.765  130.464  845.310  121.961   30.947   2.1718   29.416   2.1358 1.530523 3.046043 
1 1 1   -6    2   29 o   36.119   1.3775  1288.78   95.623  1130.71  139.050  1430.60  131.711   33.973   2.1085   38.265   1.7732 -4.292683 2.754989 
1 1 1   -6    2   30 o   63.601   1.1370  3936.07  139.987  4218.03  207.669  3701.24  189.518   65.672   1.6290   61.530   1.5867 4.142479 2.274065 
1 1 1   -6    2   31 o   14.904   2.8600  218.106   90.334  370.032  138.717  106.239  119.032   18.660   3.9526   11.149   4.1348 7.511107 5.720090 
1 1 1   -6    2   32 o   32.127   1.6201  1034.23  100.415  1008.16  149.351  1055.73  135.652   31.700   2.4271   32.555   2.1466 -0.8549519 3.240161 
1 1 1   -6    2   33 o   51.904   1.2135  2668.53  122.261  2655.44  173.597  2681.40  172.217   51.771   1.7274   52.037   1.7049 -0.2661324 2.427028 
1 1 1   -6    2   34 o   21.199   2.5557  492.181  102.918  501.769  143.868  482.133  147.288   21.626   3.4270   20.773   3.7924 0.8535118 5.111449 
1 1 1   -6    2   35 o   13.341   3.2543  216.101  103.384  173.492  144.262  261.087  148.233   12.265   4.5513   14.418   4.6526 -2.152970 6.508543 
1 1 1   -6    3    1 o  110.588   0.8289 11871.65  177.929 11841.01  251.109 11902.54  252.154  110.445   1.1713  110.731   1.1731 -0.2865524 1.657702 
1 1 1   -6    3    2 o  203.642   1.2399 40263.73  490.151 40071.87  691.675 40457.27  694.691  203.155   1.7539  204.130   1.7532 -0.9746399 2.479879 
1 1 1   -6    3    3 o  207.238   1.3173 41753.64  525.500 41303.98  794.009 42104.11  700.990  206.238   1.9833  208.238   1.7341 -2.000397 2.634540 
1 1 1   -6    3    4 o   75.634   0.6155  5549.87   90.334  5432.03  125.868  5675.04  129.723   74.806   0.8668   76.461   0.8740 -1.654869 1.230932 
1 1 1   -6    3    5 o  245.389   1.7266 58505.07  822.444 58473.18  1161.11 58537.19  1165.13  245.322   2.4382  245.455   2.4453 -0.1335144 3.453178 
1 1 1   -6    3    6 o  204.081   1.4033 40449.13  555.933 40275.53  783.321 40625.30  789.126  203.640   1.9816  204.522   1.9877 -0.8819580 2.806678 
1 1 1   -6    3    7 o  262.122   1.6636 66742.27  838.346 66755.85  1111.29 66724.33  1277.13  262.167   2.1837  262.076   2.5104 0.9082031E-01 3.327235 
1 1 1   -6    3    8 o  136.498   1.7362 18096.72  460.025 17896.35  647.539 18300.89  653.652  135.735   2.4576  137.260   2.4532 -1.525726 3.472466 
1 1 1   -6    3    9 o  319.712   1.8607 99262.91  1154.67 98494.74  1621.03 100054.10  1645.15  318.457   2.6223  320.967   2.6405 -2.509644 3.721322 
1 1 1   -6    3   10 o  245.686   1.8213 58615.09  868.584 58931.11  1227.69 58298.37  1229.04  246.349   2.5673  245.022   2.5840 1.326859 3.642534 
1 1 1   -6    3   11 o  211.902   1.5725 43490.32  608.795 43905.77  1060.55 43286.15  743.495  212.644   2.5693  211.160   1.8138 1.483826 3.145039 
1 1 1   -6    3   12 o  183.238   1.5563 32496.52  514.107 32877.70  919.177 32322.99  620.186  184.005   2.5734  182.470   1.7509 1.535751 3.112552 
1 1 1   -6    3   13 o   45.141   0.6975  1975.15   61.077  2072.31   88.232  1885.76   84.633   46.206   0.9837   44.077   0.9892 2.128883 1.395037 
1 1 1   -6    3   14 o  308.805   1.4712 92590.64  881.898 92443.23  1245.65 92738.80  1248.74  308.559   2.0797  309.052   2.0815 -0.4927673 2.942383 
1 1 1   -6    3   15 o  228.376   1.3885 50639.59  615.514 50640.98  874.139 50638.22  866.844  228.378   1.9718  228.373   1.9554 0.5538940E-02 2.776951 
1 1 1   -6    3   16 o  106.706   1.0919 11045.89  226.088 10676.69  314.789 11439.25  324.927  104.866   1.5464  108.546   1.5421 -3.680397 2.183883 
1 1 1   -6    3   17 f  262.518   1.4609 66935.96  744.452 66458.32  1049.67 67419.38  1055.99  261.576   2.0672  263.461   2.0648 -1.884766 2.921789 
1 1 1   -6    3   18 o  170.247   1.3447 28155.80  444.402 28356.36  629.162 27956.13  627.799  170.853   1.8970  169.642   1.9064 1.210754 2.689466 
1 1 1   -6    3   19 o   80.629   0.9783  6312.13  153.078  6131.83  215.290  6496.49  217.701   79.464   1.3957   81.794   1.3711 -2.329437 1.956505 
1 1 1   -6    3   20 o  160.966   1.3257 25179.33  414.174 25101.69  580.679 25259.72  590.918  160.715   1.8613  161.217   1.8882 -0.5020905 2.651372 
1 1 1   -6    3   21 o   91.865   1.0767  8185.83  191.839  8641.27  277.519  7769.03  265.483   94.309   1.5159   89.422   1.5294 4.887100 2.153411 
1 1 1   -6    3   22 o   78.557   1.0080  5995.82  153.718  6004.81  217.067  5986.77  217.714   78.616   1.4224   78.498   1.4288 0.1184845 2.016073 
1 1 1   -6    3   23 f  147.625   1.3563 21198.43  388.659 20933.82  547.312 21467.60  552.011  146.695   1.9220  148.555   1.9142 -1.859848 2.712634 
1 1 1   -6    3   24 o   48.758   1.0048  2309.24   95.060  2358.33  136.832  2263.44  132.161   49.258   1.4310   48.258   1.4108 1.000263 2.009517 
1 1 1   -6    3   25 o   82.992   1.1028  6693.92  177.465  6787.00  257.874  6610.18  244.600   83.537   1.5903   82.448   1.5283 1.088898 2.205596 
1 1 1   -6    3   26 o  154.527   1.8203 23366.81  543.167 22836.51  805.363 23809.30  735.669  152.862   2.7141  156.192   2.4264 -3.329605 3.640556 
1 1 1   -6    3   27 o   47.344   1.1198  2179.24  102.826  2239.31  149.144  2124.83  141.958   47.964   1.6019   46.725   1.5651 1.239063 2.239559 
1 1 1   -6    3   28 o   43.028   1.2189  1799.29  101.325  1857.09  151.836  1752.88  136.051   43.642   1.7923   42.414   1.6524 1.227554 2.437812 
1 1 1   -6    3   29 o   18.379   2.5266  358.342   86.562  244.747  128.540  452.609  117.095   15.344   4.1952   21.415   2.8168 -6.071223 5.053107 
1 1 1   -6    3   30 o   32.083   1.4969  1025.21   91.937  900.202  136.096  1130.13  124.688   30.219   2.3201   33.947   1.8922 -3.727716 2.993823 
1 1 1   -6    3   31 o   25.610   1.8275  662.815   89.383  552.503  130.031  761.632  123.070   23.489   2.8518   27.731   2.2862 -4.242313 3.655083 
1 1 1   -6    3   32 o   34.139   1.5109  1148.92   99.578  1321.13  149.312  1010.98  133.637   36.429   2.1115   31.848   2.1616 4.580839 3.021736 
1 1 1   -6    3   33 o   33.542   1.6262  1132.36  105.856  1134.90  151.400  1129.93  148.062   33.566   2.3236   33.518   2.2757 0.4858017E-01 3.252330 
1 1 1   -6    3   34 o   9.6009   2.8707   12.510   98.952 -99.1718  140.934  121.096  138.967   7.8629   3.6826   11.339   4.4048 -3.476060 5.741372 
1 1 1   -6    3   35 o   10.976   3.0956  108.170  101.537   49.476  140.995  171.403  146.345   9.7327   4.1724   12.218   4.5742 -2.485836 6.191246 
1 1 1   -6    4    1 o  165.751   1.0831 26672.61  348.501 26601.95  492.390 26743.54  493.320  165.531   1.5324  165.971   1.5312 -0.4399719 2.166270 
1 1 1   -6    4    2 o   85.107   0.6781  7027.17  112.000  6876.34  156.096  7187.21  160.792   84.166   0.9554   86.047   0.9626 -1.881447 1.356269 
1 1 1   -6    4    3 o   89.025   0.7057  7689.81  121.920  7880.07  174.643  7508.93  170.282   90.099   0.9985   87.951   0.9974 2.147339 1.411333 
1 1 1   -6    4    4 o   47.870   0.5032  2239.23   44.976  2280.19   56.626  2169.22   74.028   48.468   0.6019   47.273   0.8067 1.195210 1.006484 
1 1 1   -6    4    5 o  258.775   1.7386 65059.08  873.301 65769.41  1241.04 64362.34  1229.11  260.175   2.4573  257.376   2.4601 2.798462 3.477142 
1 1 1   -6    4    6 o  209.538   1.4262 42640.07  580.094 42331.96  816.857 42953.55  823.942  208.774   2.0156  210.301   2.0183 -1.527023 2.852412 
1 1 1   -6    4    7 o  121.612   1.3658 14005.08  290.623 13562.32  340.811 15185.11  556.391  118.190   1.4855  125.034   2.2924 -6.843887 2.731610 
1 1 1   -6    4    8 o  180.378   1.7493 31602.36  612.505 31839.19  869.512 31369.09  862.949  181.049   2.4741  179.707   2.4737 1.341507 3.498646 
1 1 1   -6    4    9 o  201.638   1.7723 39484.39  693.709 39771.65  981.450 39197.60  980.656  202.371   2.4984  200.905   2.5146 1.466492 3.544681 
1 1 1   -6    4   10 o  374.111   1.7652 135938.80  1256.39 135719.00  1983.78 136085.91  1623.49  373.842   2.7336  374.379   2.2339 -0.5379944 3.530339 
1 1 1   -6    4   11 o  443.487   1.8582 191044.09  1568.80 190648.70  2472.28 191310.59  2029.82  443.084   2.8744  443.891   2.3557 -0.8064575 3.716361 
1 1 1   -6    4   12 o  181.475   2.0124 31366.53  548.041 32961.89  1297.22 31019.92  604.650  184.196   3.6280  178.754   1.7425 5.442795 4.024787 
1 1 1   -6    4   13 o  335.069   1.7521 108713.10  1094.79 110130.00  1827.42 107919.90  1367.32  336.745   2.7956  333.393   2.1128 3.352020 3.504146 
1 1 1   -6    4   14 o  452.337   1.6790 198643.50  1472.01 197861.80  2024.31 199520.70  2144.35  451.399   2.3102  453.275   2.4371 -1.876221 3.358035 
1 1 1   -6    4   15 o  226.650   1.3858 49867.71  609.647 50554.80  869.726 49203.98  854.809  228.184   1.9635  225.115   1.9561 3.068848 2.771609 
1 1 1   -6    4   16 o  227.969   1.4021 50452.00  620.385 49392.49  868.987 51553.33  885.973  225.528   1.9849  230.409   1.9809 -4.880661 2.804253 
1 1 1   -6    4   17 o   95.301   1.0138  8814.70  187.470  8934.84  269.937  8702.76  260.557   95.928   1.4496   94.675   1.4178 1.253311 2.027665 
1 1 1   -6    4   18 o   33.191   1.0231  1071.06   65.617  941.959   91.828  1205.77   93.797   31.144   1.5189   35.238   1.3712 -4.094112 2.046298 
1 1 1   -6    4   19 o  184.673   1.3640 33126.30  488.914 32716.91  685.131 33551.11  697.903  183.512   1.9233  185.835   1.9346 -2.323776 2.727986 
1 1 1   -6    4   20 o   63.016   0.9230  3854.11  112.784  3909.49  163.777  3804.16  155.543   63.445   1.3298   62.586   1.2803 0.8589592 1.845947 
1 1 1   -6    4   21 o   73.518   0.9603  5249.42  137.036  5295.92  195.619  5204.62  192.027   73.837   1.3648   73.198   1.3514 0.6386490 1.920699 
1 1 1   -6    4   22 o   85.544   2.2620  7130.63  374.957  6558.90  521.298  7743.49  539.719   81.984   3.2756   89.103   3.1204 -7.118484 4.523984 
1 1 1   -6    4   23 o  111.824   1.2398 12154.70  269.068 11848.42  376.290 12475.15  384.895  110.383   1.7561  113.265   1.7506 -2.882446 2.479611 
1 1 1   -6    4   24 f   70.170   1.0016  4782.71  136.386  4895.47  196.146  4677.16  189.771   70.970   1.4238   69.371   1.4093 1.599487 2.003270 
1 1 1   -6    4   25 o   82.120   3.6725  6685.66  585.201  6840.84  842.107  6540.73  813.817   83.030   5.2248   81.210   5.1624 1.820694 7.344991 
1 1 1   -6    4   26 o  102.767   1.2860 10280.63  256.317 10327.83  370.914 10237.50  354.609  102.986   1.8554  102.548   1.7814 0.4383698 2.572101 
1 1 1   -6    4   27 o   24.116   1.8017  568.297   84.221  612.054  120.724  526.808  117.553   25.024   2.4852   23.208   2.6093 1.816235 3.603448 
1 1 1   -6    4   28 o   62.409   1.1184  3794.51  135.419  3779.84  194.392  3808.34  188.754   62.288   1.6077   62.530   1.5550 -0.2419205 2.236716 
1 1 1   -6    4   29 o   15.886   2.8156  264.689   87.096  225.835  127.009  299.179  119.664   14.779   4.2187   16.993   3.7300 -2.213529 5.631194 
1 1 1   -6    4   30 o   24.175   1.8895  585.639   87.518  525.243  130.192  635.431  118.212   22.977   2.9189   25.373   2.4001 -2.395927 3.778929 
1 1 1   -6    4   31 o   11.018   2.9185   98.852   84.288  124.652  124.937   77.300  114.190   11.725   4.2544   10.310   3.9963 1.414843 5.836954 
1 1 1   -6    4   32 o   30.398   1.6439  924.839   96.986  948.907  138.452  901.650  135.900   30.790   2.3165   30.007   2.3331 0.7830353 3.287777 
1 1 1   -6    4   33 o   49.525   1.2564  2429.38  120.676  2558.74  174.862  2311.74  166.750   50.783   1.7738   48.266   1.7797 2.516819 2.512750 
1 1 1   -6    4   34 o   23.042   2.4993  591.117  103.804  395.944  146.420  788.336  147.186   18.512   4.1742   27.571   2.7501 -9.058762 4.998684 
1 1 1   -6    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6    5    1 o  188.412   1.1868 34462.24  434.028 35027.63  618.155 33912.48  609.552  189.936   1.6766  186.888   1.6802 3.048050 2.373609 
1 1 1   -6    5    2 f  200.805   1.2214 39149.43  476.075 38843.20  669.661 39462.34  676.941  200.011   1.7248  201.598   1.7298 -1.587494 2.442777 
1 1 1   -6    5    3 o  169.283   1.0859 27821.94  356.809 28057.51  507.206 27591.13  502.042  169.992   1.5371  168.574   1.5342 1.418625 2.171716 
1 1 1   -6    5    4 o  124.204   0.8860 14976.90  213.619 14967.06  301.699 14986.79  302.507  124.163   1.2517  124.245   1.2543 -0.8172607E-01 1.772022 
1 1 1   -6    5    5 o   38.880   0.3724  1464.81   28.083  1400.43   38.800  1535.66   40.700   37.984   0.5262   39.776   0.5271 -1.791561 0.7448217 
1 1 1   -6    5    6 o  131.240   1.1840 16724.26  301.621 16776.39  427.438 16672.55  425.681  131.443   1.6752  131.036   1.6735 0.4073486 2.367903 
1 1 1   -6    5    7 o  233.944   1.6298 53105.55  730.075 52828.73  955.690 53493.49  1131.36  233.227   2.1109  234.661   2.4837 -1.433899 3.259560 
1 1 1   -6    5    8 o  144.408   1.7411 20255.07  488.079 20285.53  690.263 20224.61  690.232  144.517   2.4605  144.300   2.4641 0.2173157 3.482273 
1 1 1   -6    5    9 o  283.512   1.8280 78059.61  1006.06 78243.34  1423.94 77876.48  1421.62  283.846   2.5843  283.179   2.5862 0.6663208 3.656085 
1 1 1   -6    5   10 f  112.859   1.4741 12363.04  274.312 12372.61  564.609 12360.09  313.842  112.879   2.5767  112.840   1.4328 0.3936768E-01 2.948293 
1 1 1   -6    5   11 o  375.841   1.7882 137219.50  1278.86 136845.80  2017.95 137470.41  1653.25  375.398   2.7692  376.284   2.2634 -0.8861084 3.576488 
1 1 1   -6    5   12 o   77.472   1.5532  5741.66  164.422  5949.04  435.762  5707.23  177.545   78.266   2.8682   76.678   1.1928 1.587852 3.106346 
1 1 1   -6    5   13 o  197.224   1.6222 37956.74  579.381 37245.23  1019.32 38296.32  704.199  195.837   2.6813  198.611   1.8265 -2.774399 3.244340 
1 1 1   -6    5   14 o  169.659   1.2477 27943.74  410.902 28211.65  583.835 27680.79  578.411  170.465   1.7644  168.853   1.7647 1.611465 2.495403 
1 1 1   -6    5   15 o   96.111   0.9967  8967.97  185.930  8815.65  262.973  9120.22  262.917   95.295   1.4216   96.927   1.3974 -1.632523 1.993382 
1 1 1   -6    5   16 o  278.229   1.4794 75179.37  798.982 74957.70  1132.28 75399.22  1127.60  277.820   2.0995  278.638   2.0847 -0.8181458 2.958739 
1 1 1   -6    5   17 o  144.392   1.2460 20248.56  349.214 20387.78  492.049 20107.28  495.696  144.893   1.7494  143.892   1.7747 1.001328 2.491972 
1 1 1   -6    5   18 o   83.083   0.9979  6689.12  160.767  7046.47  233.704  6368.10  221.504   85.185   1.4133   80.981   1.4091 4.204033 1.995721 
1 1 1   -6    5   19 o  105.725   1.1244 10845.35  230.641 10502.08  320.087 11216.04  332.625  103.987   1.5857  107.463   1.5945 -3.476173 2.248780 
1 1 1   -6    5   20 o  119.337   1.1727 13836.15  271.656 13696.64  382.586 13978.02  385.793  118.730   1.6600  119.943   1.6570 -1.213623 2.345440 
1 1 1   -6    5   21 o  123.946   1.2517 14922.42  301.061 14571.76  419.125 15296.22  432.731  122.443   1.7634  125.449   1.7770 -3.005455 2.503435 
1 1 1   -6    5   22 o  100.286   1.1405  9771.04  221.970  9913.20  318.377  9636.59  309.633  100.995   1.6240   99.577   1.6018 1.417160 2.281049 
1 1 1   -6    5   23 o  124.777   1.1954 15140.76  288.864 15180.62  395.535 15095.20  422.863  124.960   1.6306  124.593   1.7484 0.3673172 2.390768 
1 1 1   -6    5   24 o   66.131   0.8681  4231.11  104.705  4197.03  127.563  4301.50  183.310   65.736   0.9997   66.526   1.4195 -0.7896423 1.736171 
1 1 1   -6    5   25 o   25.361   1.3103  631.934   58.689  640.524   70.030  611.668  107.566   25.668   1.4055   25.053   2.2118 0.6151218 2.620601 
1 1 1   -6    5   26 o   99.025   1.0705  9571.88  196.196  9650.68  243.738  9426.83  330.658   99.639   1.2602   98.410   1.7309 1.228889 2.141043 
1 1 1   -6    5   27 o   50.623   0.9294  2486.75   85.152  2477.18  103.114  2507.27  150.987   50.488   1.0521   50.758   1.5324 -0.2697792 1.858826 
1 1 1   -6    5   28 o   47.313   0.9901  2217.52   85.608  2299.67  105.764  2061.43  145.784   48.631   1.1204   45.995   1.6328 2.635864 1.980214 
1 1 1   -6    5   29 o   34.149   1.4363  1144.44   94.981  1093.90  137.175  1190.97  131.642   33.411   2.1150   34.888   1.9438 -1.476730 2.872607 
1 1 1   -6    5   30 o   32.667   1.4514  1049.37   91.700  1040.82  135.290  1056.64  124.720   32.526   2.1427   32.808   1.9583 -0.2825737 2.902824 
1 1 1   -6    5   31 o   29.331   1.6093  849.894   91.489  908.735  133.565  797.883  125.575   30.286   2.2719   28.376   2.2797 1.909225 3.218503 
1 1 1   -6    5   32 o   11.647   3.0026  129.652   88.365  111.300  131.801  144.637  119.098   11.328   4.3182   11.966   4.1731 -0.6388845 6.005117 
1 1 1   -6    5   33 o   39.422   1.4199  1552.32  108.605  1535.51  155.571  1568.30  151.684   39.193   2.0448   39.650   1.9707 -0.4572716 2.839894 
1 1 1   -6    5   34 o   24.024   2.2485  611.165  104.766  647.102  150.697  577.547  145.751   24.733   3.1387   23.316   3.2203 1.417580 4.496912 
1 1 1   -6    5   35 o   9.4603   2.9600   15.031  107.673 -15.2707  150.178   47.084  154.456   8.9632   4.0495   9.9574   4.3182 -0.9941883 5.919971 
1 1 1   -6    6    1 o  134.863   0.9343 17656.84  244.589 17842.14  346.962 17473.79  344.849  135.566   1.3185  134.159   1.3242 1.406830 1.868624 
1 1 1   -6    6    2 f  214.496   1.4373 44682.69  598.465 44528.17  843.936 44839.00  848.801  214.124   2.0304  214.869   2.0350 -0.7457428 2.874674 
1 1 1   -6    6    3 o  111.966   0.8296 12165.26  180.274 11902.98  251.881 12440.71  258.126  110.729   1.1718  113.202   1.1747 -2.473457 1.659225 
1 1 1   -6    6    4 o  223.708   1.4439 48604.07  626.971 48157.46  881.021 49062.32  892.431  222.668   2.0383  224.749   2.0456 -2.081619 2.887712 
1 1 1   -6    6    5 o  170.870   1.0876 28346.81  360.731 28118.06  507.055 28581.23  513.304  170.172   1.5350  171.568   1.5413 -1.395554 2.175226 
1 1 1   -6    6    6 o  137.449   1.1589 18343.60  309.201 18256.16  436.366 18431.76  438.192  137.120   1.6394  137.778   1.6384 -0.6579132 2.317752 
1 1 1   -6    6    7 o   73.828   1.3047  4963.33  136.898  4819.84  148.327  5788.24  355.646   70.463   1.0844   77.193   2.3734 -6.730118 2.609411 
1 1 1   -6    6    8 o   91.699   1.7712  8166.00  315.131  8512.04  448.701  7829.19  442.684   93.617   2.4691   89.781   2.5400 3.835281 3.542357 
1 1 1   -6    6    9 o  186.249   1.5157 33720.45  512.138 33570.84  901.293 33791.79  622.379  185.931   2.4972  186.567   1.7185 -0.6361084 3.031369 
1 1 1   -6    6   10 o  396.124   1.7938 152293.30  1350.37 152713.00  2141.54 152016.30  1739.86  396.560   2.7820  395.689   2.2651 0.8715210 3.587511 
1 1 1   -6    6   11 o  378.257   1.7913 138841.09  1287.08 139345.30  2044.57 138510.09  1656.49  378.809   2.7805  377.704   2.2593 1.105042 3.582649 
1 1 1   -6    6   12 o  303.817   1.6827 89903.57  955.778 88596.54  1575.16 90665.23  1202.44  302.046   2.6865  305.588   2.0270 -3.541595 3.365428 
1 1 1   -6    6   13 o  312.535   1.7235 94558.88  1002.30 95868.33  1681.88 93837.70  1248.15  314.187   2.7577  310.883   2.0683 3.304199 3.447084 
1 1 1   -6    6   14 o  269.178   1.4290 70349.97  746.668 69771.27  1052.40 70936.54  1059.53  268.063   2.0225  270.293   2.0194 -2.229401 2.857996 
1 1 1   -6    6   15 o   69.031   0.8787  4624.42  117.511  4648.50  171.869  4603.28  161.031   69.200   1.2795   68.863   1.2046 0.3367844 1.757326 
1 1 1   -6    6   16 o  124.201   1.1934 14991.32  287.207 15221.55  396.189 14736.32  416.952  125.209   1.6301  123.194   1.7435 2.015022 2.386843 
1 1 1   -6    6   17 o  222.030   1.4100 47881.68  607.717 48130.99  862.622 47636.02  856.297  222.604   1.9963  221.456   1.9919 1.147202 2.820088 
1 1 1   -6    6   18 o  162.414   1.2953 25623.38  408.359 25746.85  577.361 25499.79  577.653  162.806   1.8269  162.022   1.8367 0.7836914 2.590520 
1 1 1   -6    6   19 o  166.071   1.3322 26793.96  429.465 26713.25  607.088 26874.80  607.622  165.821   1.8860  166.322   1.8820 -0.5009918 2.664397 
1 1 1   -6    6   20 o   71.212   0.8141  4952.50  107.777  5023.76  134.822  4826.33  179.392   71.931   0.9656   70.493   1.3110 1.438507 1.628171 
1 1 1   -6    6   21 o  130.461   1.1084 16474.26  269.159 16315.85  335.184 16761.86  451.643  129.602   1.3323  131.320   1.7717 -1.718552 2.216778 
1 1 1   -6    6   22 o  174.566   1.2722 29725.46  417.662 30031.69  530.206 29224.70  678.007  175.792   1.5537  173.340   2.0150 2.452011 2.544452 
1 1 1   -6    6   23 o   38.164   0.9177  1395.04   63.341  1361.22   76.281  1470.14  113.673   37.437   1.0497   38.892   1.5057 -1.454937 1.835448 
1 1 1   -6    6   24 o   85.403   0.9321  7066.02  146.925  7018.17  181.257  7157.71  250.890   84.998   1.0985   85.807   1.5062 -0.8088531 1.864288 
1 1 1   -6    6   25 o   75.095   0.9060  5469.62  125.181  5445.47  153.996  5516.67  214.929   74.868   1.0596   75.322   1.4700 -0.4548416 1.812067 
1 1 1   -6    6   26 o   60.439   1.0085  3544.09  117.673  3475.03  157.669  3630.92  176.797   59.782   1.3587   61.097   1.4907 -1.314896 2.016974 
1 1 1   -6    6   27 o   54.013   0.9366  2901.54   92.060  3034.51  113.555  2646.55  157.248   55.879   1.0469   52.146   1.5535 3.733879 1.873283 
1 1 1   -6    6   28 o   62.266   0.9486  3829.91  107.618  3944.57  132.305  3605.72  185.010   63.695   1.0701   60.838   1.5666 2.857361 1.897166 
1 1 1   -6    6   29 o   23.611   1.5767  541.775   68.002  531.850   82.809  562.328  119.168   23.324   1.8290   23.899   2.5688 -0.5748596 3.153366 
1 1 1   -6    6   30 f   10.036   2.6609   65.201   65.160   40.293   77.216  126.813  121.442   8.2588   3.2611   11.813   4.2057 -3.554339 5.321881 
1 1 1   -6    6   31 o   25.831   1.4703  658.253   68.261  656.750   82.279  661.572  122.260   25.870   1.6384   25.793   2.4418 0.7686806E-01 2.940593 
1 1 1   -6    6   32 o   26.870   1.8096  722.899   93.953  784.493  141.402  674.212  125.716   27.865   2.6142   25.875   2.5029 1.990295 3.619185 
1 1 1   -6    6   33 o   48.385   1.2946  2321.35  121.369  2424.54  178.382  2232.41  165.612   49.364   1.8615   47.406   1.7997 1.958366 2.589234 
1 1 1   -6    6   34 o   26.203   2.1571  726.716  109.075  773.403  150.245  674.691  158.604   27.233   2.8421   25.172   3.2458 2.061104 4.314239 
1 1 1   -6    6   35 o   28.114   2.0322  851.488  109.305  724.457  158.147  967.673  151.245   25.826   3.1546   30.403   2.5627 -4.577230 4.064379 
1 1 1   -6    7    1 o  158.839   1.0276 24469.41  315.276 24233.39  424.334 24760.27  471.052  157.987   1.3836  159.691   1.5196 -1.703171 2.055132 
1 1 1   -6    7    2 o  111.384   0.8392 12044.14  181.454 12008.32  255.998 12080.31  257.235  111.217   1.1858  111.550   1.1879 -0.3328476 1.678461 
1 1 1   -6    7    3 o  129.020   0.9128 16160.03  228.589 16062.41  321.108 16260.33  325.485  128.625   1.2861  129.415   1.2956 -0.7897491 1.825541 
1 1 1   -6    7    4 o  230.446   1.4744 51578.47  659.501 51160.50  927.148 52006.56  938.303  229.501   2.0811  231.391   2.0890 -1.889236 2.948709 
1 1 1   -6    7    5 o  220.398   1.4591 47171.80  624.198 46634.20  876.031 47726.23  889.626  219.123   2.0595  221.673   2.0674 -2.550186 2.918197 
1 1 1   -6    7    6 o   14.476   0.5629  219.601   14.112  165.056   24.780  245.781   17.168   13.040   0.9790   15.913   0.5558 -2.873092 1.125735 
1 1 1   -6    7    7 o   9.0093   2.1479   72.454   30.488   76.288   31.685   24.562  111.987   8.6931   1.9281   9.3256   3.8388 -0.6325445 4.295795 
1 1 1   -6    7    8 o  111.697   1.7743 12108.96  384.537 11854.89  534.374 12381.82  553.779  110.483   2.4916  112.910   2.5266 -2.427673 3.548519 
1 1 1   -6    7    9 o  256.060   1.5953 63634.77  756.162 63759.93  1279.67 63567.61  937.304  256.238   2.5727  255.882   1.8870 0.3560181 3.190553 
1 1 1   -6    7   10 o  151.239   1.4694 22145.19  389.411 22349.16  731.279 22064.46  460.065  151.714   2.4831  150.763   1.5720 0.9513855 2.938871 
1 1 1   -6    7   11 o  536.714   1.9860 279417.00  2021.05 281206.19  3229.57 278265.31  2591.13  538.095   3.0919  535.333   2.4935 2.762573 3.972018 
1 1 1   -6    7   12 o  189.546   1.5695 34793.73  535.962 35126.31  958.908 34642.63  646.349  190.190   2.5973  188.902   1.7626 1.287704 3.138946 
1 1 1   -6    7   13 o   85.502   1.5924  7164.86  195.259  6999.96  480.723  7197.44  213.680   84.895   2.9171   86.108   1.2784 -1.212784 3.184890 
1 1 1   -6    7   14 o  151.950   1.6374 22342.78  447.078 22628.20  804.368 22215.18  537.801  152.635   2.7148  151.265   1.8316 1.370377 3.274848 
1 1 1   -6    7   15 o  217.131   1.3709 45777.85  577.807 45458.38  817.590 46096.63  816.695  216.374   1.9465  217.888   1.9309 -1.514374 2.741796 
1 1 1   -6    7   16 o   74.546   1.9372  5386.53  279.510  5559.00  413.868  5241.89  379.003   75.639   2.8187   73.454   2.6580 2.184601 3.874326 
1 1 1   -6    7   17 o  213.201   1.4057 44152.35  581.748 44169.10  822.295 44135.57  823.138  213.242   1.9865  213.161   1.9893 0.8116150E-01 2.811318 
1 1 1   -6    7   18 o   64.391   0.7485  4051.04   89.638  4117.23  112.253  3934.54  148.916   65.124   0.8879   63.658   1.2051 1.466274 1.496901 
1 1 1   -6    7   19 o   72.903   0.8143  5207.40  110.155  5326.05  137.792  4997.30  183.360   74.068   0.9584   71.737   1.3167 2.330444 1.628558 
1 1 1   -6    7   20 o   79.809   0.8512  6196.86  125.496  6222.19  155.405  6149.38  212.773   80.051   1.0001   79.567   1.3776 0.4839935 1.702322 
1 1 1   -6    7   21 o   74.071   0.8440  5318.72  115.090  5297.32  141.687  5360.22  197.319   73.860   0.9882   74.282   1.3684 -0.4217148 1.687945 
1 1 1   -6    7   22 o  111.321   1.0343 12037.88  214.402 12028.54  267.699 12054.59  358.060  111.278   1.2393  111.363   1.6563 -0.8444977E-01 2.068648 
1 1 1   -6    7   23 o   60.099   0.8089  3488.43   89.294  3447.38  109.453  3570.12  154.408   59.581   0.9464   60.617   1.3122 -1.035778 1.617890 
1 1 1   -6    7   24 f   57.938   0.8332  3261.26   88.986  3261.27  109.820  3261.22  151.848   57.947   0.9763   57.928   1.3504 0.1831436E-01 1.666333 
1 1 1   -6    7   25 o   84.486   0.9569  6798.09  148.289  6526.33  180.397  7364.32  260.398   81.955   1.1339   87.016   1.5416 -5.061600 1.913727 
1 1 1   -6    7   26 o   35.581   1.0402  1210.70   68.952  1160.89   85.370  1304.19  116.946   34.556   1.2727   36.606   1.6458 -2.050560 2.080438 
1 1 1   -6    7   27 o  140.447   1.4153 19223.75  368.801 19195.87  458.449 19274.88  620.860  140.399   1.6821  140.494   2.2765 -0.9503174E-01 2.830563 
1 1 1   -6    7   28 o   83.761   1.0158  6742.03  154.787  6581.48  187.442  7086.23  274.453   82.258   1.1739   85.264   1.6582 -3.005623 2.031650 
1 1 1   -6    7   29 o   11.152   2.6463  119.525   65.987  133.761   79.798   88.737  117.348   11.485   3.3636   10.818   4.0864 0.6667061 5.292660 
1 1 1   -6    7   30 o   29.506   1.3779  881.878   72.637  930.069   88.496  782.384  127.158   30.853   1.4776   28.160   2.3262 2.693026 2.755828 
1 1 1   -6    7   31 o   25.287   1.5506  636.456   71.430  642.807   87.421  623.701  123.901   25.568   1.7614   25.007   2.5524 0.5605125 3.101170 
1 1 1   -6    7   32 o   13.589   2.5763  202.435   67.318  211.213   82.397  184.814  116.742   14.101   3.0952   13.078   4.1194 1.022751 5.152595 
1 1 1   -6    7   33 o   27.583   1.5286  730.892   74.912  685.281   88.364  847.430  141.245   26.283   1.7319   28.882   2.5193 -2.598749 3.057209 
1 1 1   -6    7   34 o   53.088   1.3107  2823.78  134.973  2848.37  187.915  2797.59  193.992   53.361   1.8141   52.815   1.8922 0.5467224 2.621341 
1 1 1   -6    7   35 o   28.813   1.9639  876.404  109.241  1008.79  159.919  760.584  149.578   30.943   2.6624   26.683   2.8878 4.259890 3.927778 
1 1 1   -6    8    1 o   96.280   0.7273  9000.67  135.748  9036.27  187.488  8961.46  196.805   96.480   1.0011   96.079   1.0552 0.4011230 1.454522 
1 1 1   -6    8    2 o   87.387   0.6719  7409.89  113.842  7348.80  156.977  7477.67  165.341   87.008   0.9294   87.767   0.9705 -0.7590027 1.343748 
1 1 1   -6    8    3 o   97.896   0.7493  9302.77  142.376  9247.29  199.765  9360.05  202.973   97.599   1.0544   98.192   1.0649 -0.5930557 1.498570 
1 1 1   -6    8    4 o  240.251   1.4909 56046.00  695.177 55064.07  971.854 57074.87  994.806  238.097   2.1027  242.405   2.1141 -4.307373 2.981775 
1 1 1   -6    8    5 o  123.818   1.0179 14928.30  239.470 14667.88  378.050 15102.82  309.475  122.909   1.5845  124.726   1.2782 -1.817123 2.035815 
1 1 1   -6    8    6 o   79.711   0.8868  6164.38  137.171  6311.19  197.301  6027.04  190.838   80.628   1.2606   78.793   1.2477 1.835831 1.773663 
1 1 1   -6    8    7 o   19.880   1.6511  362.409   32.529  359.080   33.659  409.490  126.578   19.233   0.9015   20.527   3.1767 -1.293528 3.302106 
1 1 1   -6    8    8 o  169.969   1.4803 28079.66  451.085 27977.60  811.602 28125.29  542.614  169.732   2.4633  170.206   1.6423 -0.4742584 2.960552 
1 1 1   -6    8    9 o  324.037   1.7109 101899.00  1053.72 102241.30  1670.67 101672.90  1357.87  324.475   2.6524  323.600   2.1616 0.8744812 3.421704 
1 1 1   -6    8   10 o  113.509   1.4876 12497.12  275.376 12530.23  576.058 12487.32  313.519  113.597   2.6124  113.420   1.4240 0.1774826 2.975263 
1 1 1   -6    8   11 o  697.516   2.2170 472531.09  2941.20 472533.31  4649.85 472529.59  3797.39  697.471   3.4344  697.561   2.8044 -0.8941650E-01 4.433905 
1 1 1   -6    8   12 o   83.113   1.6818  7142.05  202.872  6063.68  474.127  7383.73  224.458   79.011   3.0913   87.215   1.3258 -8.203484 3.363600 
1 1 1   -6    8   13 o  150.206   1.5894 21860.97  411.340 22007.39  793.320 21807.14  481.056  150.535   2.7148  149.877   1.6535 0.6584625 3.178738 
1 1 1   -6    8   14 o   61.308   1.9071  3749.75  132.495  3530.02  425.392  3773.36  139.430   60.269   3.6360   62.347   1.1521 -2.078278 3.814185 
1 1 1   -6    8   15 o  109.592   1.0782 11663.94  229.300 11463.12  326.663 11859.00  321.948  108.662   1.5487  110.523   1.5006 -1.861298 2.156432 
1 1 1   -6    8   16 o  132.923   1.1691 17154.63  301.597 17191.90  431.439 17119.01  421.771  133.063   1.6703  132.782   1.6363 0.2812958 2.338270 
1 1 1   -6    8   17 o  148.724   1.1235 21473.33  314.381 21454.11  398.226 21505.13  512.179  148.645   1.3801  148.803   1.7731 -0.1575012 2.246943 
1 1 1   -6    8   18 o   19.120   1.2772  335.827   45.965  279.020   57.106  440.348   77.459   16.949   1.7357   21.291   1.8742 -4.342140 2.554429 
1 1 1   -6    8   19 o  127.234   1.0559 15678.44  251.239 15559.85  314.929 15886.03  416.671  126.585   1.2816  127.883   1.6785 -1.298187 2.111842 
1 1 1   -6    8   20 o   91.513   0.9276  8142.77  156.870  8162.85  194.240  8105.12  266.009   91.685   1.0914   91.340   1.5003 0.3445816 1.855238 
1 1 1   -6    8   21 o  109.009   1.0118 11554.68  205.683 11580.56  257.487 11509.05  341.903  109.193   1.2148  108.826   1.6185 0.3672791 2.023645 
1 1 1   -6    8   22 o  114.190   1.0747 12559.64  226.790 12313.18  279.348 13036.16  388.430  112.582   1.2782  115.797   1.7280 -3.214577 2.149408 
1 1 1   -6    8   23 o   56.320   2.8217  3055.65  103.023  3052.38  104.521  3167.15  610.760   56.063   0.9604   56.578   5.5611 -0.5147705 5.643406 
1 1 1   -6    8   24 o   61.867   0.8622  3722.48   98.323  3730.25  121.397  3707.66  167.634   61.972   1.0091   61.763   1.3982 0.2086792 1.724331 
1 1 1   -6    8   25 o   64.411   0.8903  4039.62  106.126  4056.42  131.689  4008.50  179.242   64.616   1.0499   64.206   1.4381 0.4104538 1.780597 
1 1 1   -6    8   26 o   23.393   1.4456  523.361   64.070  490.052   81.067  578.790  104.576   22.429   1.8619   24.357   2.2118 -1.928013 2.891160 
1 1 1   -6    8   27 f   32.032   1.2030  972.961   71.988  908.531   89.054  1094.45  122.288   30.554   1.5015   33.509   1.8800 -2.955263 2.405993 
1 1 1   -6    8   28 o   19.610   1.8481  387.037   65.526  406.247   80.499  349.312  112.807   20.391   2.0337   18.828   3.0865 1.563347 3.696250 
1 1 1   -6    8   29 o   32.185   1.2611  992.157   72.342  962.248   86.002  1064.52  133.776   31.416   1.4102   32.955   2.0912 -1.538986 2.522264 
1 1 1   -6    8   30 o   20.972   1.8053  420.489   68.394  396.193   81.782  477.017  124.746   20.067   2.0995   21.878   2.9374 -1.810905 3.610513 
1 1 1   -6    8   31 o   38.653   1.1315  1458.20   80.741  1440.16   99.554  1492.86  138.017   38.371   1.3366   38.936   1.8261 -0.5653229 2.262956 
1 1 1   -6    8   32 f   30.593   1.2892  922.537   73.181  911.821   90.815  942.380  123.582   30.430   1.5374   30.757   2.0699 -0.3268986 2.578415 
1 1 1   -6    8   33 o   12.431   2.8101  141.749   72.589   94.952   86.226  255.601  134.492   9.9125   3.5422   14.949   4.3634 -5.036632 5.620219 
1 1 1   -6    8   34 o   28.396   1.6748  810.855   80.736  796.935   93.591  851.346  159.619   28.270   1.7055   28.521   2.8830 -0.2513943 3.349688 
1 1 1   -6    8   35 o   18.120   2.9902  397.747  103.121  409.373  150.480  387.454  141.595   18.308   4.3063   17.932   4.1499 0.3759232 5.980445 
1 1 1   -6    9    1 o   62.805   0.5220  3826.26   63.577  3774.70   87.695  3883.38   92.304   62.360   0.7244   63.251   0.7518 -0.8912010 1.044027 
1 1 1   -6    9    2 f  134.958   0.9114 17691.17  238.012 17786.06  324.342 17580.44  350.361  135.352   1.2344  134.564   1.3413 0.7879028 1.822887 
1 1 1   -6    9    3 f   62.787   0.5264  3824.69   64.134  3908.50   92.056  3745.65   89.401   63.455   0.7473   62.119   0.7414 1.335976 1.052709 
1 1 1   -6    9    4 o   81.959   0.6687  6523.06  106.343  6384.55  151.305  6658.28  149.494   81.099   0.9611   82.820   0.9299 -1.720642 1.337308 
1 1 1   -6    9    5 o  146.574   1.1344 20888.41  317.112 20705.03  496.120 21015.08  412.340  146.024   1.7502  147.124   1.4438 -1.099655 2.268899 
1 1 1   -6    9    6 o  146.874   1.2371 20946.87  352.700 21032.49  498.618 20861.14  498.968  147.175   1.7453  146.574   1.7537 0.6010284 2.474166 
1 1 1   -6    9    7 o  151.957   1.5257 22536.10  428.441 22797.21  531.759 22052.96  723.331  153.230   1.7877  150.683   2.4729 2.547012 3.051438 
1 1 1   -6    9    8 f  200.337   1.5318 39173.18  559.728 38373.91  970.920 39571.04  685.016  198.784   2.5161  201.890   1.7479 -3.105316 3.063694 
1 1 1   -6    9    9 o  250.980   1.5912 61376.77  741.098 60418.89  1241.77 61906.68  923.620  249.441   2.5645  252.520   1.8842 -3.079681 3.182318 
1 1 1   -6    9   10 o  175.286   1.5265 29686.43  479.600 30203.82  867.813 29458.91  575.467  176.370   2.5348  174.201   1.7018 2.169113 3.053035 
1 1 1   -6    9   11 o  422.618   1.8487 173364.41  1483.62 173778.80  2358.28 173093.00  1908.65  423.015   2.8719  422.221   2.3287 0.7939453 3.697432 
1 1 1   -6    9   12 o  132.153   1.5318 16807.62  339.035 17252.59  686.240 16663.94  389.949  133.288   2.6523  131.018   1.5332 2.269592 3.063573 
1 1 1   -6    9   13 o  149.680   1.5942 21538.27  416.059 22245.08  792.135 21268.98  488.931  151.346   2.6963  148.014   1.7017 3.331070 3.188357 
1 1 1   -6    9   14 o  138.240   1.6456 18722.44  388.791 18210.07  752.845 18908.79  454.020  136.922   2.8325  139.559   1.6759 -2.636642 3.291153 
1 1 1   -6    9   15 o  440.901   1.5139 189103.59  1290.30 192619.20  1755.84 184976.20  1902.48  445.375   2.0309  436.426   2.2457 8.949188 3.027815 
1 1 1   -6    9   16 o  124.820   1.0276 15141.67  240.039 15183.81  301.973 15069.34  395.623  125.061   1.2439  124.579   1.6360 0.4826584 2.055143 
1 1 1   -6    9   17 o  135.738   1.0924 17798.39  277.400 17546.76  347.374 18241.29  460.866  134.430   1.3312  137.047   1.7324 -2.616302 2.184752 
1 1 1   -6    9   18 o   86.175   0.8785  7119.06  139.942  6920.99  172.105  7505.54  240.411   84.433   1.0501   87.917   1.4087 -3.484215 1.757006 
1 1 1   -6    9   19 o   53.318   1.9947  2979.20   92.876  3006.68   95.703  2534.56  384.965   55.651   0.8859   50.985   3.8897 4.666512 3.989314 
1 1 1   -6    9   20 o   96.974   0.9283  9099.99  166.839  9021.14  206.711  9247.34  282.589   96.383   1.1048   97.564   1.4921 -1.180473 1.856619 
1 1 1   -6    9   21 o   28.335   1.0000  793.341   52.407  826.885   65.671  734.520   86.963   29.179   1.1594   27.492   1.6295 1.686623 1.999919 
1 1 1   -6    9   22 o   35.430   0.8954  1221.15   58.918  1225.20   73.401  1213.83   98.792   35.518   1.0646   35.343   1.4400 0.1747131 1.790783 
1 1 1   -6    9   23 o  117.262   1.0755 13334.20  234.217 13258.36  291.146 13473.30  394.305  116.815   1.2839  117.709   1.7257 -0.8934937 2.150918 
1 1 1   -6    9   24 o  108.177   1.1025 11303.97  220.771 11135.92  272.774 11623.10  375.898  107.047   1.3127  109.307   1.7716 -2.260231 2.204906 
1 1 1   -6    9   25 o   80.397   0.9520  6220.25  140.955  6087.08  172.895  6484.20  243.409   79.147   1.1253   81.648   1.5358 -2.500343 1.903939 
1 1 1   -6    9   26 o  100.576   1.0686  9804.85  199.417  9715.57  247.411  9970.41  336.912   99.961   1.2750  101.191   1.7152 -1.229874 2.137187 
1 1 1   -6    9   27 o   24.598   1.4436  605.455   65.144  641.412   81.345  541.160  108.774   25.665   1.6327   23.531   2.3813 2.133835 2.887282 
1 1 1   -6    9   28 o   41.080   1.0071  1638.91   75.776  1629.76   92.764  1657.25  131.369   40.931   1.1675   41.229   1.6414 -0.2982864 2.014292 
1 1 1   -6    9   29 o   17.940   2.0967  325.154   66.405  327.647   80.970  320.030  116.053   18.263   2.2840   17.617   3.5168 0.6463203 4.193376 
1 1 1   -6    9   30 o   26.134   1.7032  753.159   72.551  846.177   85.890  521.496  135.547   29.422   1.5039   22.845   3.0565 6.576347 3.406434 
1 1 1   -6    9   31 o   19.339   2.0506  388.597   68.557  400.403   82.935  363.124  121.827   20.107   2.1248   18.572   3.5079 1.535324 4.101206 
1 1 1   -6    9   32 o   24.820   1.5948  650.538   71.012  727.880   88.813  513.460  118.238   27.146   1.6854   22.493   2.7079 4.652847 3.189565 
1 1 1   -6    9   33 o   44.564   1.1249  1974.50   89.787  1990.54  108.223  1939.07  160.826   45.023   1.2383   44.106   1.8784 0.9173622 2.249857 
1 1 1   -6    9   34 o   31.470   1.5222  969.116   84.134  924.060   98.802  1087.98  160.475   30.451   1.6715   32.489   2.5445 -2.038198 3.044373 
1 1 1   -6    9   35 o   16.608   2.6185  276.421   77.389  200.363   91.303  470.486  145.843   13.167   3.5088   20.049   3.8877 -6.882161 5.236980 
1 1 1   -6   10    1 o  152.056   0.9794 22440.31  288.230 22549.08  424.736 22347.47  392.416  152.395   1.4358  151.716   1.3324 0.6791687 1.958781 
1 1 1   -6   10    2 o   93.871   0.7253  8556.25  132.027  8602.20  182.898  8506.26  190.782   94.135   1.0009   93.608   1.0499 0.5272064 1.450569 
1 1 1   -6   10    3 o   49.959   0.4362  2422.50   42.288  2416.31   59.092  2429.00   60.542   49.894   0.6101   50.025   0.6235 -0.1307335 0.8723247 
1 1 1   -6   10    4 o  136.044   0.9824 17968.64  259.441 18128.07  367.365 17810.00  366.446  136.646   1.3850  135.442   1.3938 1.204330 1.964867 
1 1 1   -6   10    5 o   40.844   0.4850  1631.24   35.778  1586.43   63.108  1652.46   43.432   40.427   0.8042   41.261   0.5423 -0.8337326 0.9699122 
1 1 1   -6   10    6 o  202.040   1.5752 39599.96  603.276 39433.82  773.107 39858.63  964.667  201.513   1.9764  202.567   2.4533 -1.053955 3.150328 
1 1 1   -6   10    7 o  223.641   1.4593 48557.11  633.253 48821.02  910.191 48309.52  881.602  224.228   2.0911  223.053   2.0361 1.175156 2.918639 
1 1 1   -6   10    8 o  225.628   1.5575 49425.10  647.608 49445.35  1106.01 49414.54  798.878  225.649   2.5250  225.606   1.8242 0.4255676E-01 3.114990 
1 1 1   -6   10    9 o  341.630   1.7323 113395.00  1126.45 112959.40  1775.13 113688.60  1457.50  341.067   2.6812  342.193   2.1942 -1.126190 3.464558 
1 1 1   -6   10   10 o  258.548   1.6179 64761.98  773.908 65365.51  1313.65 64441.18  957.761  259.455   2.6083  257.640   1.9150 1.815308 3.235800 
1 1 1   -6   10   11 o  334.045   1.7120 108253.30  1067.99 108706.20  1773.08 107995.50  1337.93  334.573   2.7301  333.517   2.0666 1.056641 3.424022 
1 1 1   -6   10   12 o  125.446   1.5214 15224.76  319.964 15388.02  644.242 15171.31  368.643  125.879   2.6365  125.013   1.5191 0.8666534 3.042834 
1 1 1   -6   10   13 o   66.465   1.6374  4269.75  136.932  4315.67  397.525  4263.57  145.858   66.655   3.0723   66.274   1.1338 0.3804474 3.274847 
1 1 1   -6   10   14 o  250.154   1.5769 60740.68  765.545 62408.59  1094.31 59142.05  1071.34  253.516   2.2237  246.791   2.2363 6.724472 3.153701 
1 1 1   -6   10   15 o  144.926   1.1723 20383.18  329.729 20941.90  472.076 19850.95  460.745  146.864   1.6559  142.988   1.6600 3.876663 2.344658 
1 1 1   -6   10   16 o  109.358   1.0368 11443.55  206.070 11147.17  249.177 12084.90  366.542  107.156   1.1979  111.560   1.6926 -4.403709 2.073610 
1 1 1   -6   10   17 o  194.647   1.2348 36672.21  455.638 36221.96  582.837 37379.86  730.681  193.130   1.5547  196.164   1.9189 -3.034393 2.469607 
1 1 1   -6   10   18 f  236.721   1.3214 54522.02  594.741 54876.86  768.558 53992.34  938.993  237.703   1.6656  235.740   2.0519 1.963470 2.642869 
1 1 1   -6   10   19 o  129.275   1.0745 16206.08  260.135 16132.75  326.969 16332.55  429.390  128.889   1.3068  129.660   1.7060 -0.7705078 2.149024 
1 1 1   -6   10   20 o   33.369   0.8639  1055.00   53.352  998.661   65.364  1167.46   92.348   32.069   1.0500   34.668   1.3722 -2.598808 1.727865 
1 1 1   -6   10   21 o   37.663   0.8538  1403.19   58.652  1456.04   72.327  1301.68  100.235   38.723   0.9622   36.603   1.4107 2.119671 1.707595 
1 1 1   -6   10   22 o  117.965   1.0720 13508.82  234.956 13469.83  292.396 13579.86  394.730  117.748   1.2792  118.181   1.7206 -0.4336014 2.144065 
1 1 1   -6   10   23 o   96.733   0.9824  9065.90  177.019  8996.62  220.748  9190.71  296.292   96.234   1.1817   97.233   1.5698 -0.9992371 1.964848 
1 1 1   -6   10   24 o   84.398   0.9249  6914.81  145.376  6895.65  181.461  6949.15  242.911   84.250   1.1095   84.547   1.4801 -0.2961731 1.849797 
1 1 1   -6   10   25 o  124.212   1.1951 15015.57  277.598 15018.24  348.671 15010.94  458.773  124.271   1.4454  124.153   1.9036 0.1185837 2.390151 
1 1 1   -6   10   26 o   26.402   1.3034  652.537   63.700  597.090   77.661  766.536  111.356   24.767   1.6154   28.037   2.0461 -3.270369 2.606856 
1 1 1   -6   10   27 o   42.126   1.1819  1723.00   96.265  1786.86  143.678  1670.97  129.676   42.827   1.7282   41.425   1.6126 1.402134 2.363754 
1 1 1   -6   10   28 o   13.965   2.4170  176.799   65.897  100.862   82.039  314.885  110.631   10.370   3.4675   17.560   3.3680 -7.190036 4.833958 
1 1 1   -6   10   29 o   31.849   1.2407  986.448   71.359  977.397   86.158  1006.22  127.340   31.660   1.4019   32.039   2.0475 -0.3790627 2.481461 
1 1 1   -6   10   30 o   10.251   2.4690   95.725   67.272  158.021   79.699 -58.6305  125.453   12.330   3.2746   8.1728   3.6960 4.157310 4.937994 
1 1 1   -6   10   31 o   46.740   0.9913  2152.81   84.775  2179.66  104.195  2100.23  145.812   47.247   1.1361   46.233   1.6247 1.013496 1.982511 
1 1 1   -6   10   32 o   23.524   1.5692  510.844   68.706  404.293   83.973  726.620  119.499   20.121   2.1499   26.926   2.2863 -6.804359 3.138338 
1 1 1   -6   10   33 o   14.518   2.6754  240.739   73.224  254.587   87.801  209.107  132.701   15.427   3.0401   13.609   4.4032 1.817766 5.350736 
1 1 1   -6   10   34 f   25.940   1.8101  677.562   83.279  652.776   98.779  738.483  154.861   25.443   2.0000   26.436   3.0177 -0.9934654 3.620295 
1 1 1   -6   10   35 o   17.312   2.6072  345.008   80.684  346.763   97.245  341.131  144.541   18.070   2.7723   16.554   4.4163 1.516140 5.214367 
1 1 1   -6   11    1 o  196.879   1.0867 37634.68  415.304 37830.06  587.959 37440.14  586.700  197.389   1.5345  196.369   1.5391 1.020111 2.173371 
1 1 1   -6   11    2 o   50.226   0.4392  2447.23   42.789  2417.17   59.158  2480.21   61.966   49.903   0.6107   50.549   0.6315 -0.6463699 0.8784932 
1 1 1   -6   11    3 o  217.566   1.2698 45972.67  535.930 46205.56  745.853 45724.08  770.591  218.138   1.7614  216.995   1.8294 1.143387 2.539535 
1 1 1   -6   11    4 o  169.313   1.1396 27855.75  361.166 27916.24  454.399 27752.00  595.157  169.571   1.3805  169.055   1.8136 0.5163269 2.279201 
1 1 1   -6   11    5 o  124.094   1.1458 14954.87  266.639 14940.36  437.745 14963.42  336.209  124.040   1.8180  124.147   1.3951 -0.1076050 2.291601 
1 1 1   -6   11    6 o  105.306   1.0774 10773.23  219.343 10847.18  297.631 10685.32  324.504  105.703   1.4505  104.909   1.5935 0.7942505 2.154797 
1 1 1   -6   11    7 o  244.380   1.4920 58001.18  706.965 57710.49  1023.24 58266.67  977.896  243.791   2.1622  244.968   2.0564 -1.176865 2.983972 
1 1 1   -6   11    8 o  322.863   1.7068 101331.30  1049.40 100636.20  1650.00 101803.40  1359.87  321.918   2.6404  323.808   2.1634 -1.889404 3.413554 
1 1 1   -6   11    9 o  147.717   1.4801 21058.31  379.929 21467.71  725.050 20903.35  446.075  148.692   2.5120  146.743   1.5660 1.949371 2.960120 
1 1 1   -6   11   10 o  456.244   1.8788 201893.50  1626.63 203244.91  2593.53 201017.30  2088.44  457.479   2.9205  455.009   2.3645 2.470306 3.757668 
1 1 1   -6   11   11 o  174.730   1.5835 29791.13  496.008 29259.04  889.339 30031.36  597.581  173.579   2.6394  175.881   1.7503 -2.301895 3.167009 
1 1 1   -6   11   12 o  146.325   1.5783 20916.13  400.797 20506.40  759.022 21074.55  471.960  145.312   2.6908  147.338   1.6502 -2.025650 3.156518 
1 1 1   -6   11   13 o   95.488   0.9713  8849.42  180.025  9036.06  256.535  8668.33  252.695   96.479   1.3698   94.496   1.3776 1.983665 1.942682 
1 1 1   -6   11   14 o  296.936   1.4674 85612.47  845.815 85531.72  1196.95 85693.02  1195.38  296.796   2.0775  297.076   2.0729 -0.2799988 2.934796 
1 1 1   -6   11   15 o  167.181   1.2701 27138.93  412.181 27274.90  582.893 27002.94  582.931  167.600   1.7916  166.762   1.8008 0.8380432 2.540216 
1 1 1   -6   11   16 o   50.342   0.6750  2422.45   63.019  2337.60   77.671  2585.91  107.805   49.073   0.8154   51.612   1.0760 -2.538479 1.350060 
1 1 1   -6   11   17 f   82.795   0.8253  6649.67  127.904  6633.65  160.737  6677.31  211.188   82.662   1.0017   82.927   1.3119 -0.2645798 1.650625 
1 1 1   -6   11   18 o  163.894   1.1894 25972.40  367.091 25617.54  464.157 26565.06  599.843  162.419   1.4722  165.369   1.8686 -2.950027 2.378869 
1 1 1   -6   11   19 o   85.348   0.8631  7088.60  137.370  7128.07  172.110  7019.31  228.017   85.682   1.0348   85.013   1.3817 0.6683807 1.726235 
1 1 1   -6   11   20 o   52.966   0.7626  2725.16   74.609  2727.36   92.302  2721.01  126.727   53.000   0.8971   52.931   1.2334 0.6983948E-01 1.525159 
1 1 1   -6   11   21 o   52.657   0.7672  2713.70   75.101  2767.65   94.074  2618.91  124.701   53.389   0.9077   51.925   1.2372 1.463497 1.534447 
1 1 1   -6   11   22 o   43.170   0.8206  1793.86   65.693  1756.07   81.209  1865.42  111.744   42.523   0.9838   43.817   1.3138 -1.293987 1.641297 
1 1 1   -6   11   23 f   80.069   0.8911  6184.36  131.514  6089.47  161.688  6369.86  226.070   79.180   1.0520   80.957   1.4385 -1.777023 1.782141 
1 1 1   -6   11   24 o   66.763   0.8843  4386.64  109.801  4535.17  138.174  4132.14  180.875   68.328   1.0417   65.198   1.4292 3.130234 1.768533 
1 1 1   -6   11   25 o   42.717   0.8986  1747.74   71.459  1685.69   88.490  1864.05  121.154   41.651   1.0945   43.782   1.4255 -2.130985 1.797208 
1 1 1   -6   11   26 o   33.261   1.0280  1052.55   64.231  987.876   80.155  1168.60  107.372   31.873   1.2955   34.649   1.5964 -2.775995 2.055918 
1 1 1   -6   11   27 o   47.170   0.9277  2179.19   81.557  2219.18  102.466  2110.05  134.722   47.780   1.1048   46.560   1.4906 1.219261 1.855366 
1 1 1   -6   11   28 o   25.745   1.4580  614.858   68.410  558.028   81.951  745.490  124.247   23.910   1.7656   27.580   2.3207 -3.669617 2.916045 
1 1 1   -6   11   29 o   37.864   1.0997  1358.45   74.587  1296.80   88.729  1506.96  137.707   36.482   1.2529   39.246   1.8076 -2.763721 2.199339 
1 1 1   -6   11   30 o   37.583   1.1696  1363.22   79.496  1329.30   95.764  1438.41  142.571   36.900   1.3370   38.266   1.9194 -1.366112 2.339105 
1 1 1   -6   11   31 o   29.773   1.3608  878.620   72.756  883.538   87.817  867.854  129.924   30.007   1.5076   29.538   2.2659 0.4689217 2.721622 
1 1 1   -6   11   32 o   33.747   1.2154  1130.45   75.101  1140.44   92.330  1110.92  129.106   34.072   1.3960   33.422   1.9900 0.6501617 2.430799 
1 1 1   -6   11   33 f   24.620   1.7430  621.529   78.569  632.177   96.980  601.191  134.030   25.128   1.9882   24.112   2.8635 1.016176 3.486059 
1 1 1   -6   11   34 o   26.863   1.6975  704.167   80.623  655.482   94.726  832.140  153.578   25.528   1.9115   28.199   2.8057 -2.670523 3.394963 
1 1 1   -6   12    1 o  126.748   0.9799 15606.33  239.684 15507.28  358.337 15686.53  322.429  126.381   1.4606  127.114   1.3067 -0.7322464 1.959833 
1 1 1   -6   12    2 o  121.016   0.8458 14217.06  198.684 14235.71  280.128 14198.19  281.845  121.095   1.1917  120.936   1.2006 0.1598587 1.691602 
1 1 1   -6   12    3 o  196.933   1.2019 37657.59  459.452 37672.57  647.901 37642.45  651.643  196.972   1.6945  196.893   1.7050 0.7926941E-01 2.403781 
1 1 1   -6   12    4 o  107.744   0.8773 11265.29  183.432 11104.32  255.526 11436.45  263.480  106.950   1.2308  108.537   1.2506 -1.587311 1.754642 
1 1 1   -6   12    5 o   58.855   0.6259  3349.61   68.051  3403.86  116.080  3321.19   83.999   59.216   1.0098   58.494   0.7398 0.7217865 1.251811 
1 1 1   -6   12    6 f  247.115   2.2958 59477.34  1058.68 59864.32  1327.94 58802.41  1753.72  248.257   2.7556  245.973   3.6729 2.284195 4.591656 
1 1 1   -6   12    7 o  109.944   1.0317 11741.91  219.413 11639.43  323.396 11829.32  298.671  109.498   1.5215  110.389   1.3938 -0.8912582 2.063382 
1 1 1   -6   12    8 f  267.112   1.5388 69184.36  795.547 70392.18  1175.52 68163.70  1080.61  269.258   2.2490  264.967   2.1009 4.290405 3.077676 
1 1 1   -6   12    9 o  169.104   1.5441 27897.66  469.264 27406.96  837.621 28122.13  566.516  168.005   2.5684  170.203   1.7147 -2.197464 3.088151 
1 1 1   -6   12   10 o  185.031   1.5546 33079.33  515.038 33657.21  933.657 32826.56  617.489  186.176   2.5834  183.887   1.7299 2.288635 3.109122 
1 1 1   -6   12   11 o  203.842   1.5965 40240.52  589.109 40636.00  1044.72 40056.15  713.339  204.560   2.6309  203.124   1.8091 1.436020 3.192933 
1 1 1   -6   12   12 o  257.341   1.4667 64055.89  726.622 66126.28  1108.64 62496.72  962.076  260.967   2.1885  253.714   1.9534 7.253220 2.933468 
1 1 1   -6   12   13 o  263.417   1.4088 67370.64  720.368 66921.94  1015.18 67825.72  1022.36  262.533   1.9920  264.300   1.9927 -1.766785 2.817629 
1 1 1   -6   12   14 o  160.407   1.2425 24979.42  386.875 24790.99  544.115 25172.08  550.182  159.795   1.7541  161.018   1.7602 -1.223343 2.485024 
1 1 1   -6   12   15 o  150.455   1.2071 21979.19  352.544 22169.47  499.606 21790.48  497.545  151.104   1.7033  149.807   1.7109 1.297424 2.414229 
1 1 1   -6   12   16 o  129.835   1.0533 16369.41  256.702 16374.13  324.093 16361.45  420.521  129.866   1.2856  129.803   1.6689 0.6358337E-01 2.106682 
1 1 1   -6   12   17 o  144.233   1.1062 20290.44  299.686 20556.29  379.984 19852.96  487.449  145.499   1.3454  142.967   1.7564 2.532532 2.212469 
1 1 1   -6   12   18 o   49.936   0.8008  2415.14   77.530  2298.16  106.474  2547.16  113.114   48.652   1.1274   51.220   1.1377 -2.567810 1.601645 
1 1 1   -6   12   19 o  158.486   1.1751 24556.52  351.059 25067.07  448.502 23748.90  564.086  160.646   1.4382  156.326   1.8589 4.320190 2.350292 
1 1 1   -6   12   20 o   96.732   0.9596  9007.05  171.962  8821.22  212.368  9360.91  293.049   95.307   1.1479   98.156   1.5380 -2.849922 1.919142 
1 1 1   -6   12   21 o   50.249   0.7656  2464.62   71.387  2495.51   89.051  2409.08  119.416   50.696   0.9049   49.802   1.2352 0.8942413 1.531225 
1 1 1   -6   12   22 o   77.001   0.8607  5725.71  122.751  5647.41  151.802  5873.61  208.645   76.255   1.0255   77.747   1.3825 -1.491837 1.721321 
1 1 1   -6   12   23 o   51.310   0.8220  2607.21   77.816  2729.39   97.369  2391.23  129.459   53.013   0.9462   49.606   1.3444 3.407566 1.643989 
1 1 1   -6   12   24 o   10.609   2.4105  106.172   55.017  103.312   69.427  111.001   90.201   10.285   3.1665   10.933   3.6353 -0.6471958 4.821022 
1 1 1   -6   12   25 o   47.990   0.8732  2221.11   77.777  2180.40   96.316  2297.42  131.862   47.373   1.0474   48.608   1.3975 -1.235237 1.746414 
1 1 1   -6   12   26 o   23.118   1.5746  559.604   64.801  644.897   81.312  411.147  107.275   25.738   1.6274   20.498   2.6960 5.240328 3.149133 
1 1 1   -6   12   27 f   43.813   0.9532  1869.28   77.410  1873.41   96.192  1861.68  130.400   43.897   1.1288   43.729   1.5362 0.1683540 1.906348 
1 1 1   -6   12   28 o   21.732   1.7071  476.032   66.940  500.404   82.130  427.804  115.535   22.631   1.8695   20.834   2.8568 1.797558 3.414189 
1 1 1   -6   12   29 o   38.435   1.1689  1516.63   80.194  1657.87   98.796  1243.84  137.304   41.249   1.2338   35.620   1.9857 5.629414 2.337850 
1 1 1   -6   12   30 o   33.113   1.1928  1001.19   72.120  875.354   86.219  1294.36  131.603   29.920   1.4845   36.305   1.8674 -6.384865 2.385539 
1 1 1   -6   12   31 o   34.511   1.1687  1148.96   73.530  1107.37   89.024  1238.22  130.431   33.622   1.3640   35.401   1.8980 -1.778934 2.337320 
1 1 1   -6   12   32 o   24.012   1.6876  597.218   73.104  633.821   90.127  526.818  124.991   25.289   1.8359   22.734   2.8323 2.554976 3.375256 
1 1 1   -6   12   33 o   7.1623   2.3381 -55.2067   71.560 -50.0565   87.367 -65.7047  124.735   6.5510   3.0089   7.7735   3.5796 -1.222466 4.676180 
1 1 1   -6   12   34 o   28.128   1.7357  837.373   84.680  870.666  101.007  758.626  155.342   29.488   1.7646   26.768   2.9896 2.719753 3.471484 
1 1 1   -6   13    1 o  115.794   0.8039 13015.14  180.696 13198.90  256.883 12835.16  254.223  116.603   1.1349  114.985   1.1390 1.617966 1.607865 
1 1 1   -6   13    2 o   94.816   0.9067  8726.96  166.866  8637.98  234.764  8817.82  237.223   94.327   1.2821   95.304   1.2823 -0.9769211 1.813301 
1 1 1   -6   13    3 o  228.808   1.3790 50907.41  604.984 51275.98  797.207 50406.91  928.986  229.796   1.7872  227.821   2.1006 1.975189 2.758010 
1 1 1   -6   13    4 o  105.122   0.8664 10727.61  176.799 10844.02  250.361 10611.81  249.704  105.691   1.2203  104.553   1.2303 1.137909 1.732873 
1 1 1   -6   13    5 o  105.094   1.1596 10719.66  236.483 10602.97  329.382 10843.80  339.733  104.505   1.6237  105.684   1.6560 -1.179596 2.319199 
1 1 1   -6   13    6 o  190.604   2.1750 35205.09  736.870 35078.71  879.388 35502.99  1350.15  190.062   2.3835  191.145   3.6388 -1.082642 4.349909 
1 1 1   -6   13    7 o  115.472   1.0445 12945.15  233.233 12927.51  345.103 12959.98  316.440  115.399   1.5406  115.545   1.4108 -0.1464767 2.088972 
1 1 1   -6   13    8 o  310.414   1.6078 93500.02  964.588 94127.02  1434.63 92982.73  1303.10  311.358   2.3736  309.469   2.1692 1.889008 3.215512 
1 1 1   -6   13    9 o  180.993   1.5526 31873.86  507.800 31615.54  899.468 31994.71  615.221  180.443   2.5679  181.543   1.7458 -1.099350 3.105133 
1 1 1   -6   13   10 o  237.948   1.6071 54685.71  702.735 55866.32  1213.35 54089.80  862.031  239.856   2.6060  236.039   1.8814 3.816711 3.214133 
1 1 1   -6   13   11 o  292.124   1.6800 82616.43  910.218 83695.24  1538.04 82034.94  1129.19  293.568   2.6989  290.679   2.0012 2.889038 3.359917 
1 1 1   -6   13   12 o  199.201   1.2821 38522.94  495.756 38873.18  703.291 38177.03  698.939  200.101   1.8106  198.301   1.8157 1.799973 2.564195 
1 1 1   -6   13   13 o  353.503   1.5266 121335.50  1047.55 122199.50  1489.41 120489.70  1473.65  354.748   2.1629  352.258   2.1551 2.489929 3.053264 
1 1 1   -6   13   14 f   92.858   1.7284  8367.94  311.430  8124.99  433.231  8627.73  447.997   91.464   2.4401   94.251   2.4486 -2.787056 3.456842 
1 1 1   -6   13   15 o  111.808   1.1036 12134.27  239.493 11929.25  335.439 12347.45  342.048  110.845   1.5590  112.771   1.5625 -1.926102 2.207213 
1 1 1   -6   13   16 o   78.557   0.8925  5984.82  136.007  5810.41  188.211  6175.45  196.760   77.360   1.2533   79.753   1.2709 -2.392731 1.784960 
1 1 1   -6   13   17 o  141.264   1.0958 19419.00  291.939 19547.48  371.892 19212.69  471.260  141.884   1.3503  140.644   1.7261 1.239746 2.191518 
1 1 1   -6   13   18 f   85.989   1.5253  7374.37  166.091  7436.58  177.553  6938.64  469.886   87.520   1.0451   84.459   2.8660 3.060997 3.050647 
1 1 1   -6   13   19 o  152.675   1.1576 22612.41  332.909 22503.38  422.006 22792.05  541.706  152.207   1.4283  153.143   1.8222 -0.9354248 2.315281 
1 1 1   -6   13   20 o   31.593   0.8717  957.738   51.403  928.474   63.935  1011.23   86.441   30.921   1.0652   32.264   1.3802 -1.343100 1.743399 
1 1 1   -6   13   21 o   47.775   0.7561  2197.01   67.269  2149.06   83.584  2285.17  113.337   47.045   0.9153   48.505   1.2037 -1.459454 1.512150 
1 1 1   -6   13   22 o   66.566   0.8223  4291.30  101.642  4260.33  126.262  4348.32  171.328   66.233   0.9820   66.898   1.3193 -0.6646500 1.644697 
1 1 1   -6   13   23 o   97.847   0.9995  9351.04  182.706  9478.04  229.957  9133.62  300.883   98.771   1.1994   96.923   1.5992 1.847931 1.998984 
1 1 1   -6   13   24 o   63.781   0.8560  3935.18  100.856  3895.81  124.453  4010.50  172.143   63.329   1.0124   64.233   1.3806 -0.9031029 1.711998 
1 1 1   -6   13   25 o   31.637   1.0956  986.436   64.943  1026.30   82.694  922.287  104.903   32.492   1.3111   30.782   1.7556 1.709717 2.191136 
1 1 1   -6   13   26 o   43.894   0.9310  1854.33   75.538  1812.11   93.002  1936.19  129.486   43.179   1.1096   44.608   1.4953 -1.428852 1.862042 
1 1 1   -6   13   27 o   39.791   1.0365  1554.12   75.324  1580.35   92.484  1502.45  129.817   40.314   1.1818   39.268   1.7030 1.045624 2.072926 
1 1 1   -6   13   28 o   66.298   0.9440  4232.16  115.431  4127.89  141.723  4437.67  198.956   65.134   1.1209   67.463   1.5192 -2.329498 1.887995 
1 1 1   -6   13   29 o   61.884   0.9708  3676.95  108.954  3575.67  131.466  3899.09  194.701   60.596   1.1176   63.171   1.5878 -2.575104 1.941675 
1 1 1   -6   13   30 o   46.120   1.0051  2116.82   84.092  2190.88  103.137  1969.93  145.240   47.407   1.1207   44.834   1.6688 2.572975 2.010250 
1 1 1   -6   13   31 o   17.906   2.4903  321.116   86.558  321.116   86.558   0.0000   0.0000   17.906   2.4903  ?   ?       ?      ? 
1 1 1   -6   13   32 o   26.286   1.5717  696.329   73.054  703.529   87.329  679.547  133.332   26.684   1.6860   25.889   2.6531 0.7947254 3.143470 
1 1 1   -6   13   33 o   17.572   2.4331  344.695   76.472  367.557   94.398  301.047  130.432   18.946   2.5667   16.198   4.1342 2.747589 4.866195 
1 1 1   -6   13   34 o   17.536   2.5768  350.870   79.876  361.395   95.995  327.182  144.014   18.624   2.6552   16.448   4.4170 2.175869 5.153690 
1 1 1   -6   14    1 o  159.598   0.9627 24727.15  298.250 25036.32  423.266 24422.25  420.329  160.589   1.3578  158.607   1.3652 1.981812 1.925467 
1 1 1   -6   14    2 f  219.711   1.1271 46869.36  480.682 47134.26  679.389 46603.82  680.186  220.333   1.5885  219.089   1.5993 1.243790 2.254124 
1 1 1   -6   14    3 o   40.279   0.4356  1549.50   32.963  1672.91   54.803  1479.54   41.261   41.515   0.6800   39.043   0.5444 2.472584 0.8711186 
1 1 1   -6   14    4 o  283.541   2.0779 78056.10  1143.02 76828.45  1585.38 79385.02  1649.47  281.223   2.9041  285.858   2.9726 -4.634705 4.155731 
1 1 1   -6   14    5 o   40.626   0.6131  1603.52   48.146  1618.59   65.313  1585.58   71.252   40.835   0.8239   40.417   0.9082 0.4187164 1.226247 
1 1 1   -6   14    6 o  159.275   2.1395 24582.26  577.616 24521.52  669.420 24759.26  1142.79  158.919   2.1700  159.631   3.6879 -0.7121124 4.279000 
1 1 1   -6   14    7 o  170.595   1.6480 28246.34  545.364 27978.09  755.541 28538.13  788.006  169.751   2.2929  171.439   2.3678 -1.688492 3.296054 
1 1 1   -6   14    8 o  176.190   1.2698 30179.01  431.275 29761.21  646.967 30513.14  578.577  175.089   1.9035  177.291   1.6812 -2.202515 2.539627 
1 1 1   -6   14    9 o  382.407   1.8010 141937.80  1308.64 142275.59  2076.20 141715.09  1685.64  382.767   2.7943  382.046   2.2729 0.7210999 3.601959 
1 1 1   -6   14   10 o  322.142   1.7572 100589.90  1074.79 101632.90  1712.33 99911.86  1380.63  323.502   2.7268  320.782   2.2172 2.720184 3.514418 
1 1 1   -6   14   11 o  227.870   1.3189 50406.68  583.350 51125.13  829.253 49702.85  820.775  229.477   1.8616  226.263   1.8687 3.214722 2.637733 
1 1 1   -6   14   12 o  375.764   1.5844 137144.09  1154.16 136344.70  1673.18 137869.80  1594.16  374.715   2.3003  376.814   2.1794 -2.098785 3.168751 
1 1 1   -6   14   13 o  258.464   1.5243 64897.07  755.182 65059.82  993.189 64674.02  1162.71  258.857   1.9765  258.071   2.3210 0.7863770 3.048542 
1 1 1   -6   14   14 o  362.288   1.5433 127457.70  1085.27 128229.10  1544.72 126705.80  1525.08  363.369   2.1900  361.206   2.1751 2.163300 3.086561 
1 1 1   -6   14   15 o   86.239   0.9173  7220.42  153.547  7206.78  218.299  7233.78  216.015   86.158   1.3052   86.320   1.2892 -0.1615524 1.834550 
1 1 1   -6   14   16 o   74.929   0.8830  5448.96  128.403  5331.10  179.543  5572.34  183.707   74.100   1.2482   75.758   1.2492 -1.657990 1.765933 
1 1 1   -6   14   17 o   29.978   2.8309  1085.86   60.627  1105.69   62.154  696.898  275.272   33.748   0.9487   26.209   5.5817 7.539852 5.661788 
1 1 1   -6   14   18 f   81.152   0.8385  6447.40  126.941  6592.41  159.845  6199.78  208.879   82.403   0.9993   79.902   1.3467 2.500877 1.676958 
1 1 1   -6   14   19 o  170.278   1.2517 28284.03  400.484 28610.50  507.872 27747.26  651.228  171.610   1.5246  168.946   1.9857 2.663788 2.503486 
1 1 1   -6   14   20 o  169.561   1.2588 27934.48  402.236 27896.95  510.756 27995.75  652.688  169.441   1.5529  169.681   1.9816 -0.2402496 2.517524 
1 1 1   -6   14   21 o   42.359   0.7631  1698.84   60.606  1584.96   75.344  1907.61  102.013   40.401   0.9607   44.317   1.1858 -3.916267 1.526168 
1 1 1   -6   14   22 o   46.840   0.7994  2157.03   69.552  2224.73   87.320  2039.54  115.034   47.863   0.9398   45.817   1.2934 2.046593 1.598805 
1 1 1   -6   14   23 o   54.392   0.8115  2861.02   82.399  2827.05  102.949  2921.58  137.450   53.952   0.9830   54.833   1.2913 -0.8812561 1.622911 
1 1 1   -6   14   24 o   15.688   1.9473  250.643   55.702  269.809   71.334  220.699   89.164   16.640   2.2084   14.737   3.2080 1.903217 3.894640 
1 1 1   -6   14   25 o   37.029   0.9784  1344.49   67.960  1379.07   86.318  1288.10  110.230   37.670   1.1804   36.388   1.5605 1.281380 1.956702 
1 1 1   -6   14   26 o   76.101   0.9452  5645.73  133.270  5677.92  165.664  5586.71  224.359   76.432   1.1166   75.770   1.5254 0.6621170 1.890394 
1 1 1   -6   14   27 o  101.262   1.1044  9979.60  207.587  9963.84  258.157 10008.44  349.190  101.199   1.3141  101.325   1.7753 -0.1261368 2.208802 
1 1 1   -6   14   28 o   63.178   0.9359  3964.29  109.052  4151.98  136.448  3632.39  181.441   65.327   1.0760   61.028   1.5316 4.298710 1.871760 
1 1 1   -6   14   29 o   50.924   0.9821  2506.48   91.873  2457.70  112.449  2604.40  159.334   50.228   1.1533   51.621   1.5901 -1.392151 1.964293 
1 1 1   -6   14   30 o   11.673   2.6926  139.195   69.745  161.639   84.491   91.195  123.562   12.441   3.4011   10.905   4.1753 1.536592 5.385242 
1 1 1   -6   14   31 o   42.624   1.0139  1770.20   79.439  1744.12   97.442  1821.87  137.175   42.231   1.1886   43.016   1.6428 -0.7844238 2.027702 
1 1 1   -6   14   32 o   21.000   2.1987  503.034   76.064  574.890   92.732  355.269  132.980   24.031   1.9879   17.969   3.9225 6.062071 4.397482 
1 1 1   -6   14   33 o   25.812   1.6381  680.326   77.516  689.466   95.693  662.882  132.199   26.260   1.8773   25.364   2.6850 0.8961773 3.276201 
1 1 1   -6   14   34 o   24.223   1.8939  624.809   82.267  647.665  100.452  578.255  143.364   25.269   2.0479   23.178   3.1864 2.091633 3.787770 
1 1 1   -6   15    1 o  290.081   1.4215 81740.81  797.455 82094.61  1083.20 81322.14  1178.34  290.772   1.9191  289.390   2.0976 1.382507 2.843016 
1 1 1   -6   15    2 o  169.163   1.1769 27783.59  386.429 27867.07  543.089 27697.97  549.961  169.420   1.6514  168.905   1.6774 0.5156097 2.353825 
1 1 1   -6   15    3 o   74.102   0.5989  5329.24   86.140  5291.74  120.602  5368.29  123.076   73.836   0.8414   74.368   0.8526 -0.5320587 1.197864 
1 1 1   -6   15    4 o   77.422   1.9576  5728.24  184.456  5942.91  559.914  5702.10  195.362   78.202   3.6884   76.642   1.3131 1.559853 3.915187 
1 1 1   -6   15    5 o   85.289   0.9766  7061.44  161.681  7070.21  228.017  7052.56  229.290   85.342   1.3764   85.236   1.3858 0.1066818 1.953160 
1 1 1   -6   15    6 o  261.607   2.3647 66936.19  1162.51 68368.19  1478.39 64616.38  1881.68  265.326   2.8704  257.888   3.7588 7.437866 4.729465 
1 1 1   -6   15    7 o  205.104   2.2471 40843.73  825.437 40822.83  991.565 40890.89  1489.72  205.044   2.4912  205.164   3.7406 -0.1195068 4.494227 
1 1 1   -6   15    8 o  248.269   1.5372 59850.80  739.997 59665.46  1071.06 60020.05  1023.58  247.899   2.2257  248.639   2.1207 -0.7391510 3.074324 
1 1 1   -6   15    9 o  316.363   1.7415 96751.54  1042.49 99094.27  1682.49 95291.63  1328.18  319.443   2.7133  313.283   2.1840 6.160461 3.483067 
1 1 1   -6   15   10 o  229.899   1.3236 51313.55  590.699 51474.85  834.477 51151.57  836.275  230.261   1.8669  229.537   1.8769 0.7245178 2.647268 
1 1 1   -6   15   11 o   99.867   0.9564  9681.04  185.381  9657.37  259.705  9705.63  264.704   99.743   1.3413   99.991   1.3637 -0.2486496 1.912841 
1 1 1   -6   15   12 o  242.409   1.3662 57053.77  642.885 57319.60  910.140 56789.05  908.216  242.973   1.9297  241.846   1.9346 1.127289 2.732445 
1 1 1   -6   15   13 o  253.475   1.4082 62380.38  692.881 61945.38  975.992 62822.38  983.818  252.584   1.9906  254.365   1.9925 -1.781616 2.816428 
1 1 1   -6   15   14 o  153.068   1.2250 22742.76  363.924 22199.68  509.997 23306.18  519.465  151.206   1.7375  154.929   1.7273 -3.722839 2.449985 
1 1 1   -6   15   15 o   75.617   0.8566  5547.94  125.708  5700.53  180.327  5403.68  175.333   76.628   1.2123   74.606   1.2107 2.021812 1.713287 
1 1 1   -6   15   16 o  182.308   1.3266 32283.67  469.469 32093.99  661.444 32476.22  666.445  181.769   1.8746  182.848   1.8776 -1.078949 2.653224 
1 1 1   -6   15   17 o  173.128   1.1754 29071.77  384.994 28937.64  491.612 29284.49  619.098  172.625   1.4671  173.632   1.8368 -1.006454 2.350789 
1 1 1   -6   15   18 o   48.480   0.8487  2293.78   78.921  2202.05  119.975  2363.75  104.785   47.619   1.2979   49.340   1.0940 -1.721218 1.697488 
1 1 1   -6   15   19 o  139.489   1.1230 18997.77  294.614 19290.26  374.549 18523.14  477.120  140.923   1.3692  138.055   1.7804 2.867737 2.245970 
1 1 1   -6   15   20 o   72.222   0.8050  5108.29  109.253  5243.27  139.127  4891.17  176.456   73.483   0.9754   70.961   1.2810 2.521919 1.610063 
1 1 1   -6   15   21 o   36.391   0.8272  1302.45   56.331  1350.84   71.528  1223.43   91.407   37.296   0.9880   35.486   1.3269 1.810249 1.654350 
1 1 1   -6   15   22 f   46.872   0.7842  2111.36   68.748  2052.32   85.802  2217.23  114.899   45.971   0.9615   47.773   1.2390 -1.802109 1.568317 
1 1 1   -6   15   23 o  127.245   1.2014 15711.79  285.572 15617.57  357.618 15877.60  474.418  126.755   1.4534  127.735   1.9133 -0.9807358 2.402743 
1 1 1   -6   15   24 o   42.854   0.8868  1804.91   71.292  1867.89   90.790  1703.61  115.138   43.848   1.0667   41.860   1.4170 1.988106 1.773566 
1 1 1   -6   15   25 o   50.945   0.8811  2478.35   82.584  2388.54  100.860  2661.05  143.854   49.581   1.0480   52.310   1.4167 -2.728672 1.762162 
1 1 1   -6   15   26 o   95.784   1.0406  8964.77  186.424  9071.24  234.907  8783.62  306.401   96.589   1.2529   94.980   1.6618 1.608253 2.081206 
1 1 1   -6   15   27 o   55.958   0.9024  3032.27   93.997  2997.03  117.002  3096.40  157.853   55.521   1.0856   56.396   1.4419 -0.8758087 1.804895 
1 1 1   -6   15   28 o   27.453   1.3624  688.704   70.035  555.908   86.329  944.362  119.783   23.844   1.8651   31.062   1.9865 -7.218279 2.724879 
1 1 1   -6   15   29 o   80.806   1.0085  6354.46  149.760  6311.99  183.949  6437.94  257.909   80.482   1.1774   81.130   1.6376 -0.6480331 2.016983 
1 1 1   -6   15   30 o   42.718   1.0093  1765.21   79.873  1720.66   98.568  1850.42  136.310   41.988   1.2093   43.448   1.6162 -1.459801 2.018569 
1 1 1   -6   15   31 o   17.981   2.2104  343.473   70.249  359.487   86.570  312.597  120.208   18.954   2.3528   17.007   3.7427 1.947342 4.420799 
1 1 1   -6   15   32 f   24.308   1.7416  632.219   74.551  699.099   91.603  501.027  128.297   26.556   1.7770   22.061   2.9959 4.495361 3.483262 
1 1 1   -6   15   33 o   23.186   1.7839  535.694   76.498  502.620   93.677  601.900  132.537   22.303   2.1637   24.068   2.8368 -1.764996 3.567742 
1 1 1   -6   15   34 o   10.042   2.8022   83.244   77.025   61.309   94.687  126.152  132.433   8.9419   3.5848   11.142   4.3079 -2.200205 5.604320 
1 1 1   -6   16    1 o  184.350   1.0628 32990.46  380.312 33320.44  539.970 32665.62  535.740  185.265   1.5015  183.435   1.5045 1.829544 2.125563 
1 1 1   -6   16    2 o  160.961   1.0575 25078.25  326.003 24713.70  426.055 25593.14  506.346  159.557   1.3756  162.366   1.6065 -2.809082 2.114984 
1 1 1   -6   16    3 o   70.163   0.8021  4769.30  108.990  4651.55  148.399  4907.20  160.592   69.224   1.1044   71.101   1.1635 -1.876472 1.604193 
1 1 1   -6   16    4 o  206.542   1.7974 41431.16  720.479 41654.21  1009.36 41199.45  1028.74  207.111   2.5106  205.974   2.5729 1.136261 3.594869 
1 1 1   -6   16    5 o  341.698   2.7346 113461.90  1813.52 114336.70  2546.77 112562.00  2583.02  343.038   3.8246  340.357   3.9096 2.680847 5.469189 
1 1 1   -6   16    6 o  307.804   2.4752 91763.69  1435.82 90930.79  1819.68 93137.73  2337.21  305.988   3.0636  309.621   3.8887 -3.632751 4.950480 
1 1 1   -6   16    7 o  305.594   2.4670 91016.48  1428.56 92151.84  1837.20 89280.26  2271.89  308.039   3.0725  303.149   3.8607 4.889526 4.934068 
1 1 1   -6   16    8 f  255.851   2.4123 63888.57  1151.05 64703.41  1445.03 62474.01  1903.93  258.122   2.8839  253.580   3.8679 4.542007 4.824667 
1 1 1   -6   16    9 o  341.661   1.7737 113376.20  1151.61 113235.20  1824.82 113469.50  1484.57  341.468   2.7530  341.854   2.2371 -0.3861694 3.547371 
1 1 1   -6   16   10 o  432.282   1.6721 181368.80  1402.52 184109.41  2018.97 178812.91  1949.76  435.434   2.3886  429.129   2.3406 6.305206 3.344219 
1 1 1   -6   16   11 o  134.751   1.1323 17629.12  296.147 17880.22  418.264 17376.69  419.368  135.714   1.5877  133.788   1.6148 1.925064 2.264554 
1 1 1   -6   16   12 o   24.582   0.6851  590.201   32.491  530.454   46.859  645.521   45.090   23.377   1.0326   25.788   0.9007 -2.411428 1.370273 
1 1 1   -6   16   13 o   13.495   3.2687   91.572  121.865  311.181  177.777 -103.0989  167.379   17.652   4.9747   9.3379   4.2414 8.313612 6.537369 
1 1 1   -6   16   14 o  162.440   1.2541 25621.66  395.450 25687.82  559.105 25555.44  559.396  162.650   1.7708  162.230   1.7763 0.4198608 2.508213 
1 1 1   -6   16   15 o   33.634   0.7366  1097.52   48.079  1069.72   66.994  1127.03   69.040   33.195   1.0397   34.073   1.0438 -0.8775444 1.473258 
1 1 1   -6   16   16 o  171.953   1.3027 28716.87  434.784 29144.17  619.391 28301.80  610.462  173.214   1.8421  170.693   1.8424 2.521637 2.605329 
1 1 1   -6   16   17 o   33.091   0.8119  1062.81   52.143  1044.80   72.940  1081.64   74.569   32.804   1.1454   33.377   1.1509 -0.5732460 1.623767 
1 1 1   -6   16   18 o   94.024   0.9130  8557.28  160.322  8483.65  200.558  8687.62  266.837   93.472   1.1053   94.575   1.4535 -1.102615 1.826010 
1 1 1   -6   16   19 o  150.143   1.1669 21777.29  329.040 21410.59  414.048 22405.80  542.063  148.459   1.4367  151.827   1.8392 -3.368637 2.333876 
1 1 1   -6   16   20 o   51.607   2.0604  2669.69   90.514  2678.29   92.982  2514.05  395.447   52.520   0.9120   50.694   4.0185 1.825840 4.120728 
1 1 1   -6   16   21 o   45.111   0.7618  1956.97   64.534  1902.06   81.001  2052.40  106.779   44.257   0.9429   45.965   1.1967 -1.708408 1.523518 
1 1 1   -6   16   22 o   51.578   0.7864  2560.02   75.221  2504.73   92.996  2664.66  127.929   50.785   0.9433   52.370   1.2584 -1.584789 1.572711 
1 1 1   -6   16   23 o   35.112   4.0166  1233.87   79.612  1233.25   80.553  1259.82  522.569   35.628   1.1647   34.597   7.9483 1.031544 8.033154 
1 1 1   -6   16   24 o   35.085   0.9848  1203.32   63.675  1217.83   78.803  1176.05  108.080   35.401   1.1467   34.769   1.6014 0.6322212 1.969611 
1 1 1   -6   16   25 o   38.582   0.9383  1443.11   67.440  1432.03   84.107  1463.07  112.860   38.385   1.1288   38.779   1.4993 -0.3937607 1.876671 
1 1 1   -6   16   26 f  103.344   1.1312 10305.94  215.188 10114.89  263.986 10684.31  371.495  101.977   1.3336  104.711   1.8277 -2.734009 2.262455 
1 1 1   -6   16   27 o   40.748   1.0033  1633.40   76.086  1678.35   95.665  1556.01  125.521   41.538   1.1864   39.958   1.6183 1.580189 2.006572 
1 1 1   -6   16   28 o   24.081   1.5420  576.131   68.584  594.215   85.587  543.682  114.649   24.656   1.7882   23.505   2.5128 1.151684 3.084079 
1 1 1   -6   16   29 o   20.801   1.8610  439.729   68.071  456.440   81.633  401.590  123.328   21.563   1.9503   20.040   3.1702 1.522392 3.722088 
1 1 1   -6   16   30 o   31.206   1.2408  919.842   72.908  815.442   90.733  1110.09  122.484   28.832   1.6211   33.580   1.8790 -4.747608 2.481693 
1 1 1   -6   16   31 o   38.000   1.1642  1406.66   79.544  1378.85   95.496  1469.68  143.753   37.503   1.3118   38.498   1.9236 -0.9949646 2.328304 
1 1 1   -6   16   32 o   15.625   2.4545  253.776   69.945  223.777   86.354  310.999  119.265   14.437   3.1682   16.812   3.7499 -2.374725 4.909084 
1 1 1   -6   16   33 o   19.014   2.4774  427.642   78.623  474.346   93.849  317.706  143.986   21.627   2.2354   16.400   4.4220 5.227528 4.954887 
1 1 1   -6   16   34 o   15.011   2.7585  261.517   77.605  254.048   94.255  277.238  136.740   15.022   3.3205   15.000   4.4059 0.2216244E-01 5.517030 
1 1 1   -6   17    1 o  114.846   0.8056 12801.37  179.583 12650.54  252.163 12956.59  255.814  114.160   1.1379  115.533   1.1407 -1.372635 1.611178 
1 1 1   -6   17    2 o  265.893   1.4190 68805.13  710.722 69327.55  903.862 67958.88  1150.36  267.229   1.7424  264.557   2.2400 2.671722 2.837903 
1 1 1   -6   17    3 o  263.497   1.6046 67488.58  781.684 67656.98  968.426 67173.72  1324.17  263.985   1.8898  263.009   2.5936 0.9761047 3.209104 
1 1 1   -6   17    4 o  123.672   1.1673 14801.43  269.439 14680.59  336.814 15016.21  449.027  122.977   1.4109  124.368   1.8599 -1.391235 2.334537 
1 1 1   -6   17    5 o   61.867   0.8059  3714.32   96.672  3695.65  133.449  3734.93  140.232   61.704   1.1141   62.030   1.1646 -0.3268089 1.611708 
1 1 1   -6   17    6 o  287.183   2.7035 80129.32  1506.77 80466.36  2109.68 79778.38  2152.75  287.803   3.7762  286.563   3.8700 1.239410 5.407080 
1 1 1   -6   17    7 o  142.530   2.2217 19930.96  507.922 20089.69  575.705 19373.46  1078.94  143.850   2.0617  141.211   3.9361 2.638977 4.443342 
1 1 1   -6   17    8 o  183.987   1.7101 32876.73  610.614 33398.80  859.169 32343.91  867.973  185.464   2.3865  182.509   2.4499 2.954407 3.420149 
1 1 1   -6   17    9 o  438.993   1.6852 187120.20  1435.99 188285.70  2040.94 185977.50  2020.82  440.347   2.3876  437.640   2.3787 2.706726 3.370341 
1 1 1   -6   17   10 o  248.257   1.3700 59836.62  660.224 59772.95  933.028 59900.46  934.370  248.125   1.9371  248.389   1.9379 -0.2644806 2.740031 
1 1 1   -6   17   11 o  146.227   1.1831 20757.13  335.789 20404.65  472.868 21115.66  476.911  144.974   1.6803  147.479   1.6659 -2.504547 2.366116 
1 1 1   -6   17   12 o   44.926   0.6421  1957.58   55.976  1889.40   77.966  2030.11   80.416   44.119   0.9104   45.733   0.9058 -1.613388 1.284244 
1 1 1   -6   17   13 o   96.634   0.9859  9066.34  184.888  9095.42  258.794  9036.03  264.234   96.793   1.3774   96.476   1.4109 0.3170319 1.971754 
1 1 1   -6   17   14 o  122.035   1.1269 14445.79  266.776 14082.72  369.307 14842.00  385.790  120.434   1.5797  123.637   1.6075 -3.203217 2.253742 
1 1 1   -6   17   15 o   45.322   2.3738  2010.66  207.511  1798.50  298.783  2208.35  288.421   42.991   3.5803   47.653   3.1180 -4.662209 4.747647 
1 1 1   -6   17   16 o  150.412   1.2328 21975.13  359.949 22105.68  507.924 21843.43  510.172  150.861   1.7344  149.963   1.7525 0.8986969 2.465693 
1 1 1   -6   17   17 o  122.406   1.1627 14551.39  276.240 14431.85  387.798 14674.52  393.591  121.896   1.6389  122.916   1.6496 -1.019974 2.325302 
1 1 1   -6   17   18 o   84.986   0.8474  7055.08  135.199  7180.74  171.531  6848.96  219.684   85.997   1.0275   83.975   1.3477 2.022057 1.694713 
1 1 1   -6   17   19 o   41.053   2.7560  1631.99  218.165  1391.47  294.861  1922.95  324.300   37.731   4.0258   44.375   3.7648 -6.643711 5.511931 
1 1 1   -6   17   20 o   86.527   0.8867  7275.90  142.949  7284.94  178.717  7259.86  238.178   86.611   1.0630   86.444   1.4194 0.1678925 1.773306 
1 1 1   -6   17   21 o   43.878   0.7666  1861.94   63.248  1838.10   79.804  1902.21  103.716   43.506   0.9449   44.251   1.2074 -0.7446213 1.533239 
1 1 1   -6   17   22 o   80.541   0.9088  6270.92  135.873  6195.20  168.532  6411.53  229.661   79.862   1.0871   81.220   1.4567 -1.357536 1.817600 
1 1 1   -6   17   23 o  119.059   1.1423 13806.59  255.324 13870.19  322.800 13700.32  417.290  119.456   1.3921  118.662   1.8116 0.7935104 2.284669 
1 1 1   -6   17   24 o   27.690   1.1477  731.605   59.114  698.081   72.977  795.578  100.811   26.794   1.4031   28.586   1.8167 -1.792194 2.295458 
1 1 1   -6   17   25 o   30.765   1.1571  945.413   65.012  998.620   80.729  847.235  109.661   32.046   1.2977   29.485   1.9160 2.561487 2.314118 
1 1 1   -6   17   26 o   48.686   3.7652  2475.79  103.286  2480.52  104.506  2276.90  678.017   50.518   1.0657   46.854   7.4546 3.663925 7.530386 
1 1 1   -6   17   27 o   52.011   0.9152  2622.13   87.825  2598.44  108.264  2667.73  150.193   51.691   1.0790   52.331   1.4785 -0.6399689 1.830338 
1 1 1   -6   17   28 o   10.775   2.6065  110.085   64.970  131.174   78.302   63.475  116.404   11.371   3.3323   10.178   4.0088 1.192962 5.212916 
1 1 1   -6   17   29 o   18.395   1.8982  324.707   65.682  293.982   81.774  380.569  110.262   17.244   2.4429   19.546   2.9061 -2.301769 3.796480 
1 1 1   -6   17   30 o   44.776   1.0219  1961.46   82.905  1957.68  100.583  1969.46  146.416   44.781   1.1571   44.771   1.6847 0.1014328E-01 2.043802 
1 1 1   -6   17   31 o   26.327   1.4593  684.209   70.439  672.079   86.171  708.637  122.285   26.085   1.7018   26.569   2.3710 -0.4837589 2.918545 
1 1 1   -6   17   32 o   14.683   2.4815  251.226   72.042  308.935   90.261  149.936  119.581   17.392   2.6736   11.974   4.1812 5.417322 4.962931 
1 1 1   -6   17   33 o   15.779   2.6743  263.672   76.893  224.317   93.059  348.366  136.517   14.205   3.4166   17.353   4.1151 -3.148159 5.348606 
1 1 1   -6   17   34 o   20.877   2.3848  529.899   80.550  598.876   96.792  374.522  145.272   24.237   2.0573   17.518   4.3031 6.718342 4.769632 
1 1 1   -6   18    1 o  175.586   1.0299 29928.94  351.039 30123.62  495.818 29733.28  497.072  176.158   1.4500  175.013   1.4631 1.145279 2.059884 
1 1 1   -6   18    2 o  318.720   1.5502 98511.15  941.677 98015.37  1219.50 99243.36  1482.03  317.738   1.9772  319.702   2.3881 -1.963959 3.100334 
1 1 1   -6   18    3 o  271.957   1.4827 71856.80  771.276 72102.17  1009.04 71511.98  1196.18  272.523   1.9074  271.391   2.2706 1.131622 2.965411 
1 1 1   -6   18    4 o   44.068   2.5589  1888.29   40.768  1888.32   40.948  1884.57  435.478   44.108   0.4782   44.027   5.0954 0.8061600E-01 5.117796 
1 1 1   -6   18    5 o  392.591   2.5716 149877.50  1953.44 147658.41  2869.23 151794.70  2667.02  389.866   3.7913  395.317   3.4755 -5.451385 5.143220 
1 1 1   -6   18    6 o   43.086   3.0993  2014.94   87.254  2029.39   88.730  1591.61  480.311   45.725   0.9997   40.446   6.1176 5.278419 6.198697 
1 1 1   -6   18    7 o  140.780   2.7251 19219.73  743.688 18604.21  1019.79 19918.90  1086.88  138.379   3.7964  143.181   3.9105 -4.801559 5.450207 
1 1 1   -6   18    8 o  124.200   1.2081 14949.89  277.543 14891.88  343.484 15059.00  471.089  123.858   1.4286  124.543   1.9486 -0.6846924 2.416186 
1 1 1   -6   18    9 o  335.125   1.7836 108934.60  1136.20 109678.50  1802.59 108444.30  1463.54  336.056   2.7632  334.194   2.2560 1.862732 3.567230 
1 1 1   -6   18   10 o  172.812   1.2352 28993.08  414.359 29236.87  586.283 28749.79  585.703  173.538   1.7404  172.086   1.7533 1.451935 2.470466 
1 1 1   -6   18   11 o  136.747   1.1260 18154.30  298.901 18154.22  421.880 18154.39  423.544  136.747   1.5893  136.748   1.5956 -0.5035400E-03 2.252040 
1 1 1   -6   18   12 o  274.822   1.4286 73335.37  762.106 73429.38  1074.85 73240.33  1080.74  275.000   2.0135  274.645   2.0271 0.3549805 2.857178 
1 1 1   -6   18   13 o  179.401   1.2886 31251.75  448.713 31778.36  635.949 30729.67  633.213  180.907   1.8109  177.896   1.8337 3.010986 2.577163 
1 1 1   -6   18   14 o  180.182   1.3784 31483.59  479.302 31949.90  720.227 31112.91  642.144  181.373   2.0457  178.992   1.8481 2.380463 2.756862 
1 1 1   -6   18   15 o  129.061   1.1677 16176.66  292.534 16249.29  413.635 16103.98  413.776  129.350   1.6473  128.770   1.6553 0.5800323 2.335351 
1 1 1   -6   18   16 o   64.941   0.8192  4087.46  103.178  3900.46  142.523  4293.39  149.563   63.383   1.1584   66.499   1.1586 -3.115952 1.638369 
1 1 1   -6   18   17 o   43.014   0.7469  1795.68   62.311  1693.92   87.200  1901.85   89.072   41.769   1.0755   44.259   1.0367 -2.489918 1.493804 
1 1 1   -6   18   18 o   31.995   0.7862  1007.27   47.656  1061.93   62.021  928.475   74.464   33.071   0.9661   30.920   1.2406 2.151451 1.572442 
1 1 1   -6   18   19 o   87.729   0.8831  7473.90  144.223  7470.53  180.033  7479.94  240.958   87.710   1.0574   87.747   1.4146 -0.3769684E-01 1.766142 
1 1 1   -6   18   20 f   51.594   0.7417  2564.49   71.728  2508.09   89.905  2663.25  118.974   50.823   0.9113   52.365   1.1704 -1.541367 1.483362 
1 1 1   -6   18   21 o   98.451   0.9611  9475.96  176.710  9635.88  222.506  9202.80  290.797   99.598   1.1509   97.303   1.5396 2.294922 1.922166 
1 1 1   -6   18   22 o   82.101   0.9173  6597.26  140.722  6730.91  177.481  6370.99  230.932   83.242   1.0984   80.960   1.4694 2.282028 1.834555 
1 1 1   -6   18   23 o   41.342   0.8800  1658.02   68.382  1649.38   86.397  1672.49  111.886   41.205   1.0802   41.480   1.3895 -0.2754059 1.759982 
1 1 1   -6   18   24 o   18.608   1.5919  332.037   56.367  311.121   71.935  365.308   90.726   17.868   2.0740   19.348   2.4156 -1.479815 3.183796 
1 1 1   -6   18   25 o   44.557   0.9019  1927.25   75.883  1916.61   96.564  1944.43  122.700   44.406   1.1202   44.708   1.4138 -0.3022804 1.803822 
1 1 1   -6   18   26 o   21.137   1.6113  426.376   63.613  401.429   78.783  473.110  107.828   20.285   2.0007   21.989   2.5262 -1.703503 3.222514 
1 1 1   -6   18   27 o   42.636   0.9770  1765.23   77.983  1750.91   97.896  1790.09  129.000   42.419   1.1889   42.853   1.5508 -0.4338608 1.954050 
1 1 1   -6   18   28 o   32.851   1.1895  1069.14   71.424  1099.80   88.074  1010.23  122.069   33.588   1.3508   32.113   1.9582 1.474449 2.378902 
1 1 1   -6   18   29 o   19.161   2.0970  384.113   69.800  407.341   85.433  337.479  121.052   20.333   2.1645   17.989   3.5924 2.344406 4.194086 
1 1 1   -6   18   30 o   19.931   1.8343  399.920   66.869  404.932   82.266  390.161  114.799   20.221   2.0958   19.641   3.0110 0.5797863 3.668627 
1 1 1   -6   18   31 o   19.271   1.9181  362.724   69.971  316.193   87.855  443.437  115.710   17.692   2.5581   20.850   2.8588 -3.158188 3.836265 
1 1 1   -6   18   32 o   23.474   1.8048  561.037   76.445  560.536   92.654  562.104  135.291   23.667   2.0168   23.281   2.9936 0.3854733 3.609607 
1 1 1   -6   18   33 o   10.338   2.7891   92.959   73.809   73.633   89.816  133.154  129.531   9.2408   3.5546   11.435   4.2989 -2.193939 5.578206 
1 1 1   -6   18   34 o   17.082   2.5963  327.284   78.339  316.615   93.036  353.279  145.224   17.271   2.7750   16.892   4.3890 0.3791103 5.192664 
1 1 1   -6   19    1 o   72.129   0.7117  5085.66   94.484  5164.91  116.872  4936.15  160.529   72.946   0.8254   71.311   1.1597 1.635239 1.423386 
1 1 1   -6   19    2 o  264.600   1.4291 68008.99  710.282 68120.16  897.956 67823.19  1160.94  264.897   1.7463  264.302   2.2628 0.5955811 2.858262 
1 1 1   -6   19    3 o  139.267   1.1260 18826.07  302.492 18811.82  405.679 18843.92  453.957  139.209   1.5012  139.325   1.6785 -0.1162109 2.251905 
1 1 1   -6   19    4 o  245.458   1.8174 58599.99  850.764 59034.99  1106.68 57971.45  1330.27  246.583   2.3120  244.333   2.8047 2.250626 3.634828 
1 1 1   -6   19    5 o  215.999   2.3379 45244.70  902.038 45135.62  1080.84 45495.05  1637.39  215.600   2.5825  216.397   3.8979 -0.7972870 4.675839 
1 1 1   -6   19    6 o  171.792   2.2400 28244.82  644.701 27844.72  740.658 29495.79  1309.65  169.347   2.2531  174.237   3.8721 -4.889374 4.479927 
1 1 1   -6   19    7 o   68.293   2.5464  4714.14  170.220  4744.20  176.638  4322.88  637.275   69.910   1.3016   66.677   4.9236 3.232597 5.092778 
1 1 1   -6   19    8 o  110.216   1.2633 11791.12  270.266 12005.05  384.976 11583.21  379.509  111.201   1.7834  109.230   1.7898 1.971298 2.526694 
1 1 1   -6   19    9 f  247.482   1.3974 59439.09  670.945 60196.04  967.469 58737.71  931.283  248.999   2.0016  245.966   1.9505 3.032684 2.794769 
1 1 1   -6   19   10 o  150.652   1.7025 21897.05  487.158 22718.78  780.039 21371.59  623.761  152.946   2.6273  148.357   2.1659 4.589203 3.404999 
1 1 1   -6   19   11 o  157.689   1.2149 24139.22  371.863 23961.77  522.701 24321.07  529.147  157.102   1.7140  158.275   1.7223 -1.173279 2.429791 
1 1 1   -6   19   12 o  207.964   1.3095 41992.93  528.648 42234.18  748.849 41753.25  746.399  208.559   1.8497  207.368   1.8542 1.191071 2.619068 
1 1 1   -6   19   13 o  125.529   1.6320 15302.35  397.604 15687.57  566.158 14927.46  558.515  127.088   2.2949  123.970   2.3209 3.118179 3.263926 
1 1 1   -6   19   14 o  123.039   1.1518 14687.71  274.961 14306.51  381.579 15099.42  396.560  121.380   1.6195  124.697   1.6383 -3.317574 2.303612 
1 1 1   -6   19   15 f  198.801   1.3606 38392.86  525.059 38439.48  743.480 38346.46  741.615  198.921   1.9254  198.681   1.9229 0.2406311 2.721169 
1 1 1   -6   19   16 o   88.835   0.9864  7657.42  170.036  7462.59  236.391  7866.29  244.762   87.665   1.3891   90.005   1.4009 -2.339622 1.972873 
1 1 1   -6   19   17 o   88.584   0.9656  7618.46  166.018  7746.28  237.666  7496.67  232.005   89.310   1.3709   87.859   1.3603 1.450325 1.931284 
1 1 1   -6   19   18 o   15.219   1.4361  228.851   41.231  242.831   53.393  208.197   64.896   15.807   1.7400   14.630   2.2851 1.177329 2.872179 
1 1 1   -6   19   19 o   39.522   0.7649  1493.62   56.487  1434.83   70.233  1601.33   95.057   38.441   0.9412   40.604   1.2060 -2.163719 1.529806 
1 1 1   -6   19   20 o   58.955   0.7796  3419.05   85.674  3540.58  108.178  3214.58  140.323   60.384   0.9229   57.525   1.2566 2.858303 1.559113 
1 1 1   -6   19   21 o   80.972   0.8949  6435.06  136.145  6644.31  173.642  6101.15  219.346   82.709   1.0815   79.235   1.4261 3.473869 1.789824 
1 1 1   -6   19   22 o   40.074   3.0933  1248.83   74.034  1234.24   74.778  1971.56  526.222   35.646   1.0807   44.502   6.0915 -8.856186 6.186655 
1 1 1   -6   19   23 f  127.564   1.2019 15810.19  286.929 15753.86  360.408 15907.69  474.160  127.293   1.4586  127.834   1.9108 -0.5416031 2.403852 
1 1 1   -6   19   24 o   71.221   0.8896  4876.17  116.849  4761.24  143.473  5102.58  201.374   70.003   1.0558   72.438   1.4321 -2.434631 1.779218 
1 1 1   -6   19   25 o   8.9994   2.2804   50.300   59.640  122.470   75.036 -73.5045   98.278   11.080   3.2664   6.9193   3.1829 4.160298 4.560760 
1 1 1   -6   19   26 o   45.845   0.9234  2056.34   79.032  2088.61   99.439  2000.99  130.225   46.351   1.1052   45.339   1.4796 1.011719 1.846821 
1 1 1   -6   19   27 o   42.862   0.9975  1737.75   77.647  1649.06   93.348  1936.91  139.884   41.165   1.1682   44.559   1.6172 -3.394390 1.995002 
1 1 1   -6   19   28 o   23.707   1.6817  565.821   70.515  585.289   84.784  522.136  127.006   24.457   1.7859   22.956   2.8501 1.500582 3.363373 
1 1 1   -6   19   29 o   52.372   0.9569  2697.20   91.556  2735.05  112.385  2622.51  157.875   52.978   1.0928   51.766   1.5711 1.211689 1.913786 
1 1 1   -6   19   30 o   27.505   1.3911  771.338   70.514  834.804   89.236  665.829  115.057   29.150   1.5770   25.860   2.2920 3.289927 2.782173 
1 1 1   -6   19   31 o   22.129   1.8272  510.970   72.623  542.952   89.282  448.428  124.850   23.371   1.9679   20.886   3.0794 2.485107 3.654498 
1 1 1   -6   19   32 o   19.854   2.2358  450.747   76.067  528.672   95.660  316.738  125.446   22.922   2.1499   16.786   3.9208 6.135748 4.471515 
1 1 1   -6   19   33 o   28.823   1.5515  906.422   78.319  1032.85   97.086  670.839  132.526   32.242   1.5512   25.404   2.6874 6.838144 3.102919 
1 1 1   -6   19   34 o   13.569   2.5206  244.640   80.788  330.171   94.928   19.977  153.851   17.632   2.7735   9.5052   4.2097 8.126834 5.041198 
1 1 1   -6   20    1 o  257.356   1.4171 64279.38  684.926 64216.86  865.197 64384.33  1121.02  257.197   1.7329  257.516   2.2426 -0.3186646 2.834105 
1 1 1   -6   20    2 o  176.482   1.2126 30262.09  399.174 30331.63  499.845 30139.65  663.225  176.767   1.4567  176.197   1.9391 0.5694427 2.425283 
1 1 1   -6   20    3 o  548.380   2.0106 291468.41  2081.39 289652.91  2646.90 294409.69  3369.17  546.179   2.4965  550.580   3.1524 -4.401367 4.021202 
1 1 1   -6   20    4 o  101.605   0.8775 10095.74  155.508 10193.26  183.792  9850.01  291.750  102.477   0.9239  100.732   1.4920 1.744705 1.754930 
1 1 1   -6   20    5 o  246.374   1.8462 59061.58  870.599 59671.49  1142.95 58218.62  1343.70  247.903   2.3751  244.846   2.8271 3.056442 3.692371 
1 1 1   -6   20    6 o  231.542   2.3661 51560.21  984.624 50730.70  1181.72 53443.66  1780.67  228.562   2.6635  234.522   3.9114 -5.960403 4.732139 
1 1 1   -6   20    7 o  150.258   2.3330 22149.46  567.367 22329.17  645.407 21538.26  1190.28  151.648   2.1925  148.868   4.1189 2.780319 4.666074 
1 1 1   -6   20    8 o  339.407   3.5489 112314.40  2218.32 111136.00  3782.54 112932.30  2738.75  337.938   5.7661  340.876   4.1390 -2.937653 7.097792 
1 1 1   -6   20    9 o  213.244   1.5390 44146.34  636.942 45266.40  906.337 43053.38  895.309  215.916   2.1624  210.571   2.1903 5.345154 3.077918 
1 1 1   -6   20   10 o  299.540   1.6450 87206.98  954.143 85982.38  1393.78 88287.05  1308.94  297.554   2.4130  301.527   2.2363 -3.973358 3.289938 
1 1 1   -6   20   11 o  270.848   1.5543 71050.66  805.495 72304.45  1254.55 70171.30  1050.66  272.865   2.3685  268.830   2.0134 4.035217 3.108602 
1 1 1   -6   20   12 o  146.413   1.2123 20809.26  344.516 20484.64  482.667 21146.40  491.903  145.250   1.7119  147.577   1.7171 -2.327332 2.424640 
1 1 1   -6   20   13 o  110.608   1.0576 11874.19  226.981 12013.72  326.556 11743.77  315.717  111.236   1.5123  109.980   1.4788 1.256042 2.115199 
1 1 1   -6   20   14 o   72.117   1.8194  5055.22  254.674  4988.26  360.552  5121.89  359.776   71.640   2.5927   72.595   2.5531 -0.9547882 3.638700 
1 1 1   -6   20   15 o   37.882   2.5041  1392.12  183.682  1538.35  267.980  1262.54  252.263   39.754   3.4726   36.010   3.6088 3.743851 5.008213 
1 1 1   -6   20   16 o  148.334   1.2361 21366.63  355.884 21835.09  507.963 20914.99  498.756  149.931   1.7453  146.737   1.7510 3.193298 2.472269 
1 1 1   -6   20   17 o  110.766   2.1403 12008.23  446.112 12203.69  567.802 11692.96  721.127  111.995   2.6117  109.536   3.3915 2.459709 4.280585 
1 1 1   -6   20   18 o  115.270   1.1538 12914.51  257.867 12984.72  356.555 12837.52  373.386  115.602   1.5889  114.938   1.6735 0.6638947 2.307652 
1 1 1   -6   20   19 o  112.709   1.0360 12233.38  216.774 11977.79  268.360 12713.31  367.731  111.047   1.2449  114.372   1.6563 -3.325272 2.072021 
1 1 1   -6   20   20 o   36.930   0.8196  1324.26   55.640  1323.26   68.444  1326.21   95.541   36.914   0.9552   36.946   1.3322 -0.3189850E-01 1.639216 
1 1 1   -6   20   21 o  135.144   1.2054 17715.15  306.250 17583.73  386.836 17935.84  501.282  134.505   1.4816  135.784   1.9018 -1.279144 2.410806 
1 1 1   -6   20   22 o  107.633   1.0758 11186.57  215.627 10998.28  268.229 11530.54  362.533  106.386   1.2988  108.881   1.7153 -2.495026 2.151545 
1 1 1   -6   20   23 o   37.753   0.8989  1414.98   63.931  1532.58   83.197  1245.42   99.901   39.717   1.0791   35.789   1.4380 3.927650 1.797845 
1 1 1   -6   20   24 o  103.794   1.0763 10542.36  208.840 10718.61  263.314 10243.50  342.888  105.003   1.2918  102.585   1.7219 2.417816 2.152606 
1 1 1   -6   20   25 o   21.059   1.5920  397.411   62.185  281.366   76.889  616.836  105.730   16.974   2.3335   25.143   2.1663 -8.169018 3.184036 
1 1 1   -6   20   26 o   12.435   2.1948  164.958   61.768  256.315   79.011   21.369   99.054   16.179   2.5158   8.6914   3.5971 7.487300 4.389606 
1 1 1   -6   20   27 o   41.273   1.0081  1673.54   75.652  1699.06   92.460  1621.84  131.586   41.784   1.1399   40.762   1.6630 1.021873 2.016196 
1 1 1   -6   20   28 o   37.979   1.1021  1457.73   75.901  1561.40   94.080  1264.47  128.456   40.029   1.2108   35.928   1.8418 4.100471 2.204170 
1 1 1   -6   20   29 o   19.833   1.7965  374.892   66.115  340.842   80.809  443.831  114.984   18.575   2.2411   21.092   2.8084 -2.516527 3.593012 
1 1 1   -6   20   30 o   18.273   2.1767  368.952   66.844  405.755   80.616  287.982  119.576   20.227   2.0531   16.320   3.8388 3.907724 4.353390 
1 1 1   -6   20   31 o   28.683   1.3945  819.606   75.197  824.348   95.403  811.827  122.188   28.880   1.7017   28.485   2.2098 0.3951283 2.789076 
1 1 1   -6   20   32 o   25.430   1.5628  636.529   74.505  592.730   92.672  716.583  125.288   24.328   1.9623   26.531   2.4327 -2.202675 3.125503 
1 1 1   -6   20   33 o   34.523   1.3473  1230.36   83.096  1286.15  101.147  1114.53  145.741   36.019   1.4466   33.026   2.2733 2.993000 2.694536 
1 1 1   -6   21    1 o   35.918   0.6695  1256.91   46.499  1328.05   64.250  1178.66   67.382   36.990   0.8948   34.847   0.9961 2.142715 1.339007 
1 1 1   -6   21    2 o  391.281   1.7498 148688.50  1317.57 148885.30  1752.59 148432.80  1998.09  391.590   2.3056  390.973   2.6327 0.6164856 3.499565 
1 1 1   -6   21    3 o  406.042   1.7407 160005.41  1357.44 159529.20  1792.35 160645.91  2078.73  405.345   2.2779  406.737   2.6328 -1.392029 3.481446 
1 1 1   -6   21    4 o  290.078   1.4916 81626.76  812.981 81419.56  1027.18 81974.16  1330.11  289.598   1.8272  290.559   2.3582 -0.9616089 2.983284 
1 1 1   -6   21    5 o  337.250   2.2875 110461.10  1496.95 109858.80  2085.44 111101.30  2150.05  336.305   3.1945  338.195   3.2750 -1.889862 4.574983 
1 1 1   -6   21    6 o   88.649   2.2820  7657.93  241.863  7664.48  255.877  7603.02  741.014   88.856   1.4835   88.443   4.3162 0.4134445 4.564005 
1 1 1   -6   21    7 o  166.884   2.2745 26463.18  624.680 25959.35  710.907 28170.36  1308.62  163.510   2.2398  170.259   3.9595 -6.749100 4.549072 
1 1 1   -6   21    8 o  201.053   1.6818 39345.46  638.547 39663.12  815.465 38841.95  1026.66  202.115   2.0785  199.990   2.6446 2.124954 3.363582 
1 1 1   -6   21    9 o   75.483   0.8567  5543.78  124.577  5420.10  186.926  5642.61  167.094   74.723   1.2887   76.242   1.1290 -1.519791 1.713308 
1 1 1   -6   21   10 o  156.426   1.2806 23759.08  386.243 23736.23  580.700 23777.22  517.249  156.356   1.9133  156.496   1.7027 -0.1404724 2.561175 
1 1 1   -6   21   11 o  425.483   1.9218 175996.91  1555.81 175157.80  2454.13 176560.70  2011.73  424.599   2.9775  426.368   2.4306 -1.768280 3.843641 
1 1 1   -6   21   12 o  112.237   1.0942 12216.24  237.463 12388.64  352.972 12073.69  320.954  112.958   1.6097  111.516   1.4827 1.442146 2.188500 
1 1 1   -6   21   13 o  105.027   1.0326 10708.82  210.502 10799.21  300.203 10621.40  295.248  105.463   1.4664  104.591   1.4542 0.8714981 2.065197 
1 1 1   -6   21   14 o  107.743   1.0550 11270.81  220.626 11471.49  314.424 11076.18  309.656  108.688   1.4903  106.799   1.4936 1.889229 2.109960 
1 1 1   -6   21   15 o   42.874   0.6781  1786.87   56.357  1706.61   80.473  1864.12   78.950   41.928   0.9887   43.820   0.9281 -1.892757 1.356117 
1 1 1   -6   21   16 o  111.182   1.0890 11998.62  234.930 12238.97  338.450 11775.14  326.362  112.255   1.5532  110.109   1.5269 2.146423 2.178035 
1 1 1   -6   21   17 o  221.254   1.4681 47592.07  630.503 48080.85  894.410 47109.25  888.946  222.384   2.0719  220.124   2.0804 2.259903 2.936105 
1 1 1   -6   21   18 o   55.663   2.3186  3020.90  250.496  3092.78  357.019  2951.21  351.553   56.317   3.2658   55.010   3.2922 1.306107 4.637220 
1 1 1   -6   21   19 o   91.910   0.9282  8263.15  160.114  8437.83  203.236  7977.34  259.968   93.210   1.1232   90.611   1.4780 2.599625 1.856386 
1 1 1   -6   21   20 o   65.055   0.7819  4089.61   95.407  4030.50  119.894  4191.65  157.539   64.423   0.9587   65.686   1.2355 -1.263153 1.563852 
1 1 1   -6   21   21 o   71.774   0.8384  4951.90  112.160  4822.04  139.371  5190.57  188.945   70.461   1.0190   73.087   1.3318 -2.625542 1.676871 
1 1 1   -6   21   22 o   40.454   0.8408  1573.42   64.551  1514.74   82.288  1667.29  104.080   39.488   1.0735   41.421   1.2945 -1.932610 1.681674 
1 1 1   -6   21   23 o   16.898   1.7143  268.681   55.214  222.323   70.675  341.297   88.453   15.094   2.4120   18.701   2.4366 -3.606702 3.428525 
1 1 1   -6   21   24 o   29.538   1.1528  830.162   63.935  778.813   79.715  922.759  107.046   28.295   1.4513   30.781   1.7915 -2.485926 2.305623 
1 1 1   -6   21   25 o   61.360   0.8793  3636.60   99.997  3580.49  123.717  3742.35  169.830   60.697   1.0500   62.022   1.4106 -1.324211 1.758503 
1 1 1   -6   21   26 o   17.765   2.0899  339.625   64.280  389.716   80.092  248.960  107.752   19.973   2.0657   15.557   3.6337 4.416170 4.179857 
1 1 1   -6   21   27 f   18.422   1.9748  317.659   67.603  279.677   82.499  395.290  117.947   16.860   2.5207   19.983   3.0406 -3.123013 3.949537 
1 1 1   -6   21   28 o   23.333   1.7758  532.694   79.976  488.433  106.419  590.131  121.228   22.238   2.4653   24.428   2.5566 -2.189737 3.551558 
1 1 1   -6   21   29 o   37.106   1.0741  1345.58   74.999  1338.08   94.944  1358.02  122.307   37.008   1.3216   37.204   1.6935 -0.1965675 2.148190 
1 1 1   -6   21   30 o   29.744   1.2600  878.801   70.064  893.729   88.425  853.620  114.847   30.157   1.5105   29.331   2.0171 0.8260288 2.520005 
1 1 1   -6   21   31 f   51.917   0.9700  2577.13   93.127  2426.08  113.923  2881.34  161.678   49.769   1.1792   54.065   1.5405 -4.296280 1.940030 
1 1 1   -6   21   32 o   18.769   2.2096  379.096   74.050  389.380   92.028  360.209  124.712   19.543   2.4258   17.996   3.6938 1.547861 4.419169 
1 1 1   -6   21   33 o   27.166   1.6171  722.863   79.596  667.227   95.207  852.039  145.072   25.725   1.9065   28.606   2.6125 -2.880640 3.234195 
1 1 1   -6   22    1 o   22.439   0.7781  526.887   27.042  555.797   30.673  425.986   57.302   23.930   0.6603   20.948   1.4092 2.981215 1.556194 
1 1 1   -6   22    2 o  205.182   1.3203 40818.25  506.015 40676.18  633.895 41067.81  840.124  204.697   1.5953  205.666   2.1043 -0.9688110 2.640683 
1 1 1   -6   22    3 o  279.668   1.4739 75785.45  773.712 75342.74  975.297 76537.09  1270.84  278.580   1.8035  280.757   2.3318 -2.176453 2.947894 
1 1 1   -6   22    4 o  383.415   1.7323 142472.91  1274.34 140971.09  1674.81 144538.00  1963.90  381.033   2.2643  385.797   2.6224 -4.764435 3.464676 
1 1 1   -6   22    5 f  189.831   1.5148 34989.95  519.760 34992.39  629.260 34984.70  922.068  189.854   1.7074  189.808   2.5025 0.4566956E-01 3.029536 
1 1 1   -6   22    6 o  532.479   3.1295 275576.19  3234.42 278991.69  4612.52 272271.91  4536.75  535.722   4.4354  529.235   4.4160 6.487366 6.258915 
1 1 1   -6   22    7 o  273.224   2.3668 73269.23  1148.55 74410.67  1376.65 70655.14  2083.34  276.812   2.5620  269.635   3.9803 7.176910 4.733566 
1 1 1   -6   22    8 o  106.471   1.1290 11044.01  216.917 11111.47  262.640 10899.25  384.738  106.988   1.2646  105.953   1.8706 1.035713 2.257989 
1 1 1   -6   22    9 o   15.451   0.6071  229.446   18.086  270.880   26.977  195.618   24.376   16.705   0.8319   14.196   0.8845 2.509238 1.214280 
1 1 1   -6   22   10 o  212.001   1.6354 43538.68  641.202 43997.13  1089.54 43295.77  793.084  212.836   2.6371  211.166   1.9348 1.669617 3.270754 
1 1 1   -6   22   11 o   72.545   0.8517  5110.54  119.901  5023.86  170.876  5194.61  168.286   71.938   1.2236   73.151   1.1851 -1.212708 1.703476 
1 1 1   -6   22   12 o  178.388   1.3825 30838.48  474.329 31375.32  724.444 30435.65  627.548  179.737   2.0764  177.038   1.8261 2.699203 2.765091 
1 1 1   -6   22   13 o   69.638   0.8262  4707.47  111.567  4722.94  161.606  4693.37  154.213   69.747   1.1936   69.529   1.1426 0.2178955 1.652338 
1 1 1   -6   22   14 o   54.330   0.7150  2863.40   75.372  2738.51  105.120  2995.54  108.129   53.111   1.0196   55.548   1.0028 -2.436756 1.430099 
1 1 1   -6   22   15 o   98.323   1.0525  9380.75  200.804  9117.10  279.214  9663.20  288.999   96.893   1.4845   99.753   1.4925 -2.859421 2.105036 
1 1 1   -6   22   16 f  115.913   1.1609 13031.45  260.977 12575.43  359.819 13537.63  379.090  113.778   1.6292  118.049   1.6543 -4.271011 2.321825 
1 1 1   -6   22   17 o  146.215   1.3091 20779.38  371.554 20731.93  523.496 20827.54  527.440  146.048   1.8465  146.383   1.8562 -0.3352966 2.618203 
1 1 1   -6   22   18 o   89.454   2.0229  7807.59  350.623  7288.89  497.106  8321.11  494.614   86.481   2.9612   92.427   2.7568 -5.946114 4.045786 
1 1 1   -6   22   19 o   44.393   0.7178  1881.08   60.207  1779.76   75.931  2052.67   98.810   42.812   0.9137   45.973   1.1072 -3.160744 1.435510 
1 1 1   -6   22   20 o   56.797   0.7500  3117.72   80.760  3063.06  103.188  3204.13  129.741   56.162   0.9465   57.432   1.1637 -1.270630 1.500053 
1 1 1   -6   22   21 o   70.405   0.8247  4740.39  108.354  4555.00  134.503  5083.13  182.882   68.482   1.0118   72.327   1.3026 -3.844910 1.649376 
1 1 1   -6   22   22 o  105.249   1.0431 10819.04  207.186 10986.63  264.835 10554.66  332.630  106.326   1.2831  104.172   1.6449 2.153641 2.086183 
1 1 1   -6   22   23 o   26.311   1.0914  665.597   55.127  624.293   71.931  724.388   85.818   25.336   1.4625   27.286   1.6202 -1.949450 2.182712 
1 1 1   -6   22   24 o   35.051   0.9839  1200.32   65.793  1224.87   85.951  1165.58  102.247   35.493   1.2475   34.609   1.5219 0.8845940 1.967885 
1 1 1   -6   22   25 o   95.613   1.0699  8862.19  189.144  8780.91  233.713  9016.47  322.003   95.021   1.2671   96.206   1.7242 -1.184616 2.139724 
1 1 1   -6   22   26 o   27.834   1.2280  773.330   63.733  828.209   81.409  686.444  102.434   29.161   1.4381   26.507   1.9908 2.654491 2.455902 
1 1 1   -6   22   27 o   44.149   0.9454  1899.24   78.296  1898.44   98.762  1900.60  128.458   44.160   1.1521   44.139   1.4992 0.2090836E-01 1.890800 
1 1 1   -6   22   28 o   58.277   0.9040  3276.74   98.206  3187.36  122.054  3440.84  165.383   57.200   1.0992   59.354   1.4354 -2.153824 1.807960 
1 1 1   -6   22   29 o   30.541   1.1570  921.723   67.134  949.091   87.237  881.976  105.132   31.138   1.4433   29.944   1.8087 1.193539 2.313944 
1 1 1   -6   22   30 o   26.277   1.3994  671.018   69.942  617.520   89.007  757.383  113.090   24.978   1.8357   27.576   2.1126 -2.597961 2.798722 
1 1 1   -6   22   31 o   49.634   1.0199  2411.83   93.549  2380.78  115.487  2471.07  159.540   49.278   1.2073   49.990   1.6441 -0.7117424 2.039754 
1 1 1   -6   22   32 o   9.9958   2.5136   89.029   71.525  165.005   89.005 -49.4813  120.176   12.192   3.5471   7.7998   3.5624 4.391972 5.027206 
1 1 1   -6   22   33 o   12.838   2.7931  189.984   74.856  178.256   95.142  209.042  121.276   12.439   3.6812   13.237   4.2017 -0.7980986 5.586194 
1 1 1   -6   23    1 o   68.824   0.7143  4627.61   90.178  4690.47  111.086  4506.15  154.427   69.515   0.8232   68.134   1.1676 1.381340 1.428631 
1 1 1   -6   23    2 o  167.610   1.2189 27264.81  379.049 27244.93  471.165 27301.28  638.171  167.529   1.4488  167.691   1.9605 -0.1618500 2.437746 
1 1 1   -6   23    3 o  118.333   1.0158 13618.99  222.721 13680.54  276.758 13505.87  375.196  118.716   1.2010  117.950   1.6387 0.7660446 2.031640 
1 1 1   -6   23    4 o   54.293   0.5886  2853.75   51.871  2847.66   58.918  2874.76  109.369   54.165   0.5604   54.421   1.0353 -0.2554817 1.177220 
1 1 1   -6   23    5 o  350.541   1.7839 119313.20  1213.54 118837.50  1694.18 119814.50  1739.11  349.826   2.4948  351.257   2.5506 -1.431061 3.567861 
1 1 1   -6   23    6 o   66.265   3.6306  4475.03  440.881  5061.39  563.196  3547.01  708.527   72.166   4.0203   60.363   6.0467 11.80304 7.261263 
1 1 1   -6   23    7 f  212.458   2.2804 44466.12  797.507 45026.59  914.803 42691.30  1627.91  215.340   2.1885  209.577   4.0015 5.763031 4.560833 
1 1 1   -6   23    8 o  213.127   1.7511 44198.54  705.438 44493.27  901.973 43734.25  1132.06  214.058   2.1707  212.195   2.7483 1.862656 3.502166 
1 1 1   -6   23    9 f  121.085   1.1024 14286.33  255.877 14584.59  338.210 13887.08  391.297  122.571   1.4215  119.600   1.6854 2.971481 2.204816 
1 1 1   -6   23   10 o   27.446   0.5620  734.323   29.807  685.974   43.321  777.791   41.076   26.584   0.8395   28.307   0.7475 -1.723488 1.124062 
1 1 1   -6   23   11 o  167.943   1.4880 27317.83  470.984 27699.28  766.358 27086.31  597.044  168.871   2.3378  167.016   1.8416 1.855316 2.976029 
1 1 1   -6   23   12 o  207.738   1.4859 42020.77  593.828 41114.56  896.931 42727.98  792.357  205.728   2.2460  209.748   1.9461 -4.020233 2.971778 
1 1 1   -6   23   13 o   82.912   0.9369  6671.51  150.478  6726.46  220.343  6623.47  205.997   83.231   1.3638   82.593   1.2848 0.6376953 1.873705 
1 1 1   -6   23   14 o   57.028   0.7535  3159.79   83.349  3027.76  118.324  3289.82  117.428   55.845   1.0915   58.212   1.0392 -2.367382 1.507084 
1 1 1   -6   23   15 o  137.531   1.2224 18375.19  326.292 18743.95  461.223 18005.71  461.669  138.913   1.7104  136.148   1.7468 2.765381 2.444792 
1 1 1   -6   23   16 o   16.025   4.3425  171.951  189.311  140.223  278.764  199.109  257.904   15.754   6.2039   16.295   6.0778 -0.5417080 8.684953 
1 1 1   -6   23   17 o  147.526   1.2995 21152.12  372.113 21422.13  529.326 20888.30  523.221  148.457   1.8368  146.595   1.8387 1.861649 2.598924 
1 1 1   -6   23   18 o  146.865   1.2808 20962.09  365.029 21232.86  523.649 20706.14  509.116  147.786   1.8253  145.945   1.7971 1.840897 2.561501 
1 1 1   -6   23   19 o  117.125   1.0646 13244.63  232.552 13023.39  289.851 13644.35  389.600  115.781   1.2896  118.469   1.6941 -2.687317 2.129158 
1 1 1   -6   23   20 o   76.513   0.8579  5724.72  123.789  5851.29  158.322  5525.63  198.562   77.617   1.0508   75.409   1.3565 2.208122 1.715853 
1 1 1   -6   23   21 o   70.867   0.8156  4891.09  109.325  4933.76  140.009  4824.43  174.997   71.272   1.0120   70.462   1.2794 0.8092194 1.631257 
1 1 1   -6   23   22 o   24.786   1.1207  607.261   52.935  665.657   70.749  532.997   79.785   26.168   1.3928   23.405   1.7561 2.763063 2.241376 
1 1 1   -6   23   23 o   74.724   0.8705  5442.21  122.798  5493.14  156.784  5361.39  197.510   75.190   1.0742   74.258   1.3702 0.9318695 1.741047 
1 1 1   -6   23   24 o   27.577   1.1169  725.290   59.170  633.341   77.304  855.372   91.947   25.510   1.5611   29.644   1.5978 -4.134304 2.233837 
1 1 1   -6   23   25 o   22.969   1.3645  509.465   60.535  454.250   81.183  578.609   90.848   21.581   1.9379   24.358   1.9214 -2.776623 2.728935 
1 1 1   -6   23   26 o   37.870   0.9625  1402.56   69.264  1426.61   89.687  1367.01  109.030   38.287   1.2067   37.452   1.4997 0.8354797 1.924907 
1 1 1   -6   23   27 o   45.634   0.9051  2026.57   77.378  2019.09   97.344  2039.42  127.529   45.543   1.1011   45.725   1.4368 -0.1816978 1.810166 
1 1 1   -6   23   28 o   14.034   2.3585  198.432   63.555  146.829   83.397  269.915   98.156   11.926   3.4231   16.141   3.2453 -4.214115 4.716940 
1 1 1   -6   23   29 o   16.209   2.1238  270.185   64.059  246.238   85.542  300.761   96.659   15.390   2.9709   17.027   3.0357 -1.637280 4.247539 
1 1 1   -6   23   30 o   16.783   2.0580  286.221   65.157  256.533   85.126  328.220  101.249   15.637   2.9115   17.928   2.9094 -2.290410 4.115975 
1 1 1   -6   23   31 o   35.811   1.1423  1309.36   76.266  1460.26   99.018  1089.30  119.580   38.540   1.3235   33.082   1.8621 5.458839 2.284551 
1 1 1   -6   23   32 o   19.186   2.0059  378.228   74.100  341.340   97.485  428.705  114.037   18.125   2.7708   20.248   2.9014 -2.123230 4.011873 
1 1 1   -6   23   33 o   12.317   2.5443  183.419   71.827  252.430   91.406   72.014  116.135   15.007   3.2331   9.6259   3.9296 5.381335 5.088641 
1 1 1   -6   24    1 o   76.997   0.7806  5715.31  109.826  5639.85  133.863  5870.68  192.091   76.226   0.9047   77.768   1.2725 -1.541771 1.561279 
1 1 1   -6   24    2 o  171.430   1.2143 28490.58  387.677 28389.61  483.800 28671.74  648.027  171.012   1.4574  171.848   1.9426 -0.8364105 2.428513 
1 1 1   -6   24    3 o   95.148   0.9109  8759.91  159.108  8702.27  195.163  8874.15  274.749   94.685   1.0618   95.611   1.4803 -0.9264297 1.821784 
1 1 1   -6   24    4 o   99.525   0.8810  9588.02  150.817  9556.79  176.167  9673.71  291.820   99.226   0.9146   99.825   1.5059 -0.5994415 1.761929 
1 1 1   -6   24    5 o  281.109   1.6709 76723.00  911.564 76283.86  1273.51 77184.39  1305.37  280.285   2.3407  281.932   2.3852 -1.647125 3.341826 
1 1 1   -6   24    6 o  181.594   1.6305 32158.65  515.713 32333.72  608.307 31711.29  972.414  182.496   1.7171  180.692   2.7723 1.803696 3.261052 
1 1 1   -6   24    7 o  198.457   2.2356 38189.53  701.100 38136.30  788.372 38390.79  1533.05  198.182   2.0493  198.731   3.9740 -0.5494232 4.471251 
1 1 1   -6   24    8 o  104.393   1.0540 10624.16  204.262 10734.43  254.787 10425.78  341.730  105.158   1.2482  103.628   1.6988 1.529228 2.108031 
1 1 1   -6   24    9 o  146.274   1.1324 20798.82  320.039 21053.08  433.561 20494.40  474.398  147.260   1.5167  145.289   1.6821 1.971329 2.264900 
1 1 1   -6   24   10 o   48.913   0.5652  2319.65   52.340  2310.24   66.918  2334.48   84.000   48.786   0.7066   49.041   0.8824 -0.2544327 1.130448 
1 1 1   -6   24   11 o   70.355   0.8224  4806.18  112.292  4760.68  160.243  4850.08  157.405   70.028   1.1788   70.683   1.1472 -0.6548386 1.644892 
1 1 1   -6   24   12 o  132.389   1.2129 16978.31  310.106 17430.63  465.302 16616.86  415.948  133.967   1.7892  130.810   1.6381 3.157822 2.425841 
1 1 1   -6   24   13 o   99.652   1.0830  9646.34  209.144  9601.59  304.346  9686.37  287.889   99.432   1.5768   99.873   1.4849 -0.4413834 2.165958 
1 1 1   -6   24   14 o   66.464   0.8301  4290.64  107.038  4116.38  151.358  4464.98  151.392   65.113   1.1975   67.815   1.1500 -2.701996 1.660299 
1 1 1   -6   24   15 o   83.702   0.9710  6804.94  157.635  6778.92  227.466  6828.98  218.655   83.547   1.4025   83.857   1.3432 -0.3099747 1.942014 
1 1 1   -6   24   16 o   93.537   1.0362  8494.74  188.092  8252.03  262.697  8750.05  269.434   92.167   1.4683   94.908   1.4625 -2.740791 2.072369 
1 1 1   -6   24   17 o   86.035   0.9730  7185.46  162.434  7368.22  233.768  7014.84  225.869   87.092   1.3827   84.979   1.3692 2.113441 1.945975 
1 1 1   -6   24   18 o   74.454   2.2048  5395.87  318.354  5703.35  461.466  5116.64  439.758   76.475   3.1085   72.433   3.1276 4.042389 4.409633 
1 1 1   -6   24   19 o  125.815   1.1780 15364.61  273.900 15308.01  338.665 15471.63  465.712  125.513   1.3900  126.118   1.9023 -0.6047363 2.356018 
1 1 1   -6   24   20 o   37.088   0.7586  1334.81   54.371  1323.31   73.363  1348.83   80.985   36.912   1.0239   37.264   1.1196 -0.3517799 1.517154 
1 1 1   -6   24   21 o   61.357   2.5975  3881.12  119.828  3898.33  122.400  3484.65  587.522   63.353   0.9953   59.361   5.0987 3.991833 5.194923 
1 1 1   -6   24   22 o   9.2340   2.2424   74.024   48.990   54.334   67.289   96.234   71.465   8.4238   3.1119   10.044   3.2294 -1.620457 4.484702 
1 1 1   -6   24   23 o   43.755   0.7953  1859.51   67.005  1852.95   89.192  1868.01  101.519   43.670   1.0522   43.840   1.1929 -0.1703911 1.590623 
1 1 1   -6   24   24 o   25.193   1.1932  616.408   57.958  604.847   77.272  631.277   87.633   24.928   1.5969   25.458   1.7733 -0.5303154 2.386322 
1 1 1   -6   24   25 o   61.931   0.8646  3764.75  101.773  3915.48  132.698  3549.46  158.597   63.464   1.0771   60.397   1.3527 3.066856 1.729193 
1 1 1   -6   24   26 o   10.732   2.2788   78.136   59.974 -16.5199   77.621  218.352   94.473   6.9160   3.0291   14.549   3.4054 -7.632609 4.557645 
1 1 1   -6   24   27 o   17.114   2.4225  288.598   80.478  288.598   80.478   0.0000   0.0000   17.114   2.4225  ?   ?       ?      ? 
1 1 1   -6   24   28 o   46.321   0.9044  2101.13   79.818  2132.68  103.857  2055.61  124.753   46.772   1.1439   45.869   1.4011 0.9032478 1.808740 
1 1 1   -6   24   29 o   61.382   0.8993  3711.47  104.483  3808.55  134.680  3564.74  165.586   62.454   1.1109   60.310   1.4144 2.144016 1.798510 
1 1 1   -6   24   30 o   24.204   1.4571  581.310   67.744  567.764   89.128  599.843  104.249   23.913   1.9201   24.496   2.1924 -0.5828400 2.914300 
1 1 1   -6   24   31 o   8.7129   2.4496   46.219   65.269   90.408   84.571 -18.8656  102.638   9.7232   3.5045   7.7026   3.4235 2.020588 4.899213 
1 1 1   -6   24   32 o   25.159   1.6073  645.915   75.055  649.306   93.723  639.853  125.320   25.430   1.8986   24.888   2.5940 0.5425758 3.214582 
1 1 1   -6   24   33 o   11.398   2.9010  135.164   78.477  103.882   96.193  197.422  135.705   10.035   3.7180   12.762   4.4543 -2.726168 5.802082 
1 1 1   -6   25    1 o   33.590   0.7738  1098.21   50.282  1139.13   69.117  1052.20   73.284   34.257   1.0394   32.924   1.1467 1.333443 1.547617 
1 1 1   -6   25    2 o  201.858   1.3236 39575.93  499.381 39620.52  626.896 39498.48  826.081  202.021   1.5986  201.694   2.1099 0.3269501 2.647105 
1 1 1   -6   25    3 o  221.385   1.3401 47556.70  539.769 47506.05  657.130 47661.75  946.386  221.215   1.5303  221.554   2.2005 -0.3392029 2.680298 
1 1 1   -6   25    4 o   31.587   0.6462  926.675   27.061  911.979   28.983  1026.59   75.572   30.653   0.4871   32.520   1.1971 -1.867437 1.292435 
1 1 1   -6   25    5 o  268.005   1.7153 69317.66  854.979 68263.01  1062.19 71258.34  1440.86  265.148   2.0637  270.862   2.7404 -5.713562 3.430531 
1 1 1   -6   25    6 o  265.474   1.7288 68082.99  849.470 67265.95  1050.04 69630.45  1445.10  263.204   2.0552  267.745   2.7804 -4.541016 3.457529 
1 1 1   -6   25    7 o  256.254   1.7205 63535.07  815.156 63007.62  1007.23 64536.32  1387.75  254.739   2.0369  257.768   2.7734 -3.029404 3.441057 
1 1 1   -6   25    8 o  230.291   1.3959 51496.30  624.022 51368.63  884.597 51622.77  880.419  230.007   1.9813  230.576   1.9670 -0.5689545 2.791876 
1 1 1   -6   25    9 o  122.665   1.0470 14620.90  246.412 14692.43  325.074 14524.29  377.797  123.020   1.3613  122.309   1.5912 0.7113113 2.094051 
1 1 1   -6   25   10 o  166.359   1.2159 26887.78  391.160 27051.19  531.457 26694.63  577.815  166.914   1.6403  165.804   1.7953 1.109955 2.431750 
1 1 1   -6   25   11 o  130.011   1.2535 16412.47  316.143 16481.16  455.856 16348.81  438.819  130.272   1.8027  129.750   1.7423 0.5216370 2.506998 
1 1 1   -6   25   12 f   87.359   0.9663  7409.65  163.518  7420.99  239.224  7399.71  224.024   87.421   1.4097   87.298   1.3220 0.1230087 1.932581 
1 1 1   -6   25   13 o  140.835   1.3076 19276.65  356.326 19140.64  524.477 19393.24  485.606  140.368   1.9248  141.301   1.7704 -0.9328003 2.615204 
1 1 1   -6   25   14 o   90.780   1.0166  7998.66  178.843  8075.64  261.208  7930.73  245.378   91.190   1.4756   90.371   1.3988 0.8192520 2.033217 
1 1 1   -6   25   15 o   50.935   0.7263  2513.93   71.640  2588.97  105.588  2449.92   97.522   51.637   1.0534   50.232   1.0001 1.404892 1.452541 
1 1 1   -6   25   16 o   84.810   0.9734  6988.54  160.112  6944.82  230.964  7028.99  222.157   84.553   1.4072   85.067   1.3453 -0.5138931 1.946814 
1 1 1   -6   25   17 o   93.252   1.0370  8448.85  187.715  8417.59  265.661  8480.02  265.279   93.079   1.4703   93.424   1.4628 -0.3450165 2.074018 
1 1 1   -6   25   18 o   73.224   2.1760  5238.37  308.755  5022.79  443.684  5440.79  429.932   71.748   3.1857   74.700   2.9649 -2.952110 4.351916 
1 1 1   -6   25   19 o   42.512   3.9557  1781.90  325.229  1852.53  484.728  1724.07  438.608   43.249   5.7737   41.774   5.4088 1.475285 7.911445 
1 1 1   -6   25   20 o   15.511   1.5931  242.021   44.658  157.900   61.807  333.909   64.597   12.493   2.6317   18.528   1.7960 -6.034966 3.186146 
1 1 1   -6   25   21 f   88.558   0.9400  7641.54  156.537  7701.67  198.567  7542.83  254.428   89.034   1.1489   88.082   1.4880 0.9526978 1.879957 
1 1 1   -6   25   22 o   46.298   0.7805  2071.77   69.227  2017.41   90.307  2149.25  107.804   45.569   1.0209   47.027   1.1809 -1.457695 1.561048 
1 1 1   -6   25   23 o   39.619   0.8301  1524.21   63.658  1505.37   86.550  1546.41   93.958   39.355   1.1329   39.884   1.2136 -0.5288124 1.660211 
1 1 1   -6   25   24 o   41.549   0.8592  1688.29   68.608  1757.31   91.922  1601.49  103.087   42.519   1.1137   40.579   1.3087 1.940220 1.718423 
1 1 1   -6   25   25 o   20.992   1.4129  425.306   57.142  360.526   76.692  506.147   85.673   19.212   2.0564   22.772   1.9381 -3.559738 2.825800 
1 1 1   -6   25   26 o   62.325   0.8842  3763.33  103.340  3708.99  129.847  3857.22  170.677   61.740   1.0834   62.910   1.3976 -1.169746 1.768369 
1 1 1   -6   25   27 o   39.461   0.9455  1527.07   71.694  1582.86   95.895  1456.36  107.956   40.298   1.2259   38.624   1.4399 1.674690 1.891026 
1 1 1   -6   25   28 o   51.525   1.1316  2588.66  113.180  2588.66  113.180   0.0000   0.0000   51.525   1.1316  ?   ?       ?      ? 
1 1 1   -6   25   29 o   43.064   0.9324  1806.46   77.092  1752.67  101.143  1881.04  119.093   42.328   1.2309   43.800   1.4007 -1.472374 1.864714 
1 1 1   -6   25   30 o   30.560   1.1790  929.671   68.806  968.911   90.768  876.661  105.498   31.377   1.4903   29.743   1.8273 1.634167 2.357923 
1 1 1   -6   25   31 o   18.412   1.9213  348.182   68.302  342.211   91.701  355.624  102.366   18.285   2.5835   18.538   2.8446 -0.2533894 3.842658 
1 1 1   -6   25   32 o   8.0015   2.4632 -17.6100   72.985 -76.3660   95.340   65.564  113.434   6.4462   3.0222   9.5568   3.8904 -3.110547 4.926371 
1 1 1   -6   26    1 o  206.010   1.3553 41192.36  522.073 41155.91  655.412 41255.64  863.557  205.895   1.6399  206.125   2.1582 -0.2306976 2.710533 
1 1 1   -6   26    2 o   84.643   0.9414  6951.40  154.262  6908.04  210.312  7001.89  226.956   84.358   1.2843   84.928   1.3767 -0.5701141 1.882721 
1 1 1   -6   26    3 o  106.151   0.9394 11024.31  172.316 11128.90  202.476 10749.56  328.162  107.075   0.9741  105.226   1.6066 1.848816 1.878826 
1 1 1   -6   26    4 o   85.625   0.8488  7149.46  134.615  7227.21  167.475  7007.52  226.281   86.287   0.9999   84.962   1.3720 1.325218 1.697680 
1 1 1   -6   26    5 o  239.334   1.6819 55543.71  739.346 55372.84  908.169 55879.52  1273.16  238.810   1.9591  239.859   2.7344 -1.049026 3.363765 
1 1 1   -6   26    6 o   64.292   2.2038  4003.41  274.553  3698.91  377.560  4345.11  399.960   61.705   3.1521   66.879   3.0808 -5.174450 4.407621 
1 1 1   -6   26    7 o  187.516   1.6159 33895.74  530.545 33570.42  625.612 34728.88  1001.16  185.948   1.7332  189.084   2.7276 -3.136215 3.231709 
1 1 1   -6   26    8 o  298.536   1.5897 86476.36  919.755 85183.73  1261.43 87943.69  1343.95  296.161   2.1942  300.911   2.3008 -4.750397 3.179322 
1 1 1   -6   26    9 o   63.145   0.6724  3894.17   80.974  4005.42  105.946  3737.91  125.567   64.237   0.8496   62.053   1.0424 2.183697 1.344824 
1 1 1   -6   26   10 o  197.777   1.3008 37976.49  498.936 37764.01  689.662 38209.82  722.700  197.199   1.8016  198.355   1.8769 -1.155991 2.601690 
1 1 1   -6   26   11 o  100.110   1.0740  9726.72  208.005  9795.03  307.552  9669.14  282.384  100.431   1.5776   99.788   1.4578 0.6435852 2.147987 
1 1 1   -6   26   12 o  150.752   1.3612 22075.09  398.141 22147.33  572.748 22007.54  553.839  150.989   1.9541  150.516   1.8956 0.4732208 2.722458 
1 1 1   -6   26   13 f  153.224   1.3336 22775.70  394.897 23123.71  588.951 22491.45  532.277  154.280   1.9665  152.168   1.8020 2.112518 2.667291 
1 1 1   -6   26   14 o   47.037   0.7076  2148.19   64.421  2146.83   94.794  2149.35   87.816   47.023   1.0385   47.052   0.9615 -0.2869034E-01 1.415232 
1 1 1   -6   26   15 o   29.339   0.7535  839.815   42.706  776.356   61.892  897.490   59.004   28.275   1.1276   30.403   0.9998 -2.127567 1.507011 
1 1 1   -6   26   16 o   81.538   0.9608  6448.27  151.640  6582.47  224.047  6334.83  205.991   82.317   1.4021   80.758   1.3140 1.559059 1.921596 
1 1 1   -6   26   17 o   32.894   0.7631  1042.63   48.411  1119.73   73.664  984.029   64.228   33.955   1.1176   31.833   1.0394 2.122587 1.526238 
1 1 1   -6   26   18 o   88.134   1.0217  7550.36  174.738  7442.61  249.120  7654.71  245.161   87.513   1.4665   88.755   1.4230 -1.241440 2.043368 
1 1 1   -6   26   19 o   57.597   0.8104  3223.22   90.490  3206.85  131.198  3238.07  124.973   57.456   1.1763   57.737   1.1150 -0.2815132 1.620824 
1 1 1   -6   26   20 o   51.694   0.7274  2597.45   71.587  2605.07   92.676  2586.17  112.721   51.792   0.9218   51.596   1.1254 0.1957397 1.454760 
1 1 1   -6   26   21 o   75.135   0.8518  5508.83  121.149  5593.28  155.642  5379.02  192.977   75.879   1.0567   74.392   1.3363 1.487389 1.703625 
1 1 1   -6   26   22 o   31.375   0.9356  963.079   56.413  1121.79   79.893  805.259   79.668   33.974   1.2114   28.777   1.4262 5.197029 1.871251 
1 1 1   -6   26   23 o   24.462   1.1722  577.873   54.892  725.927   81.503  454.962   74.260   27.312   1.5373   21.612   1.7701 5.699377 2.344448 
1 1 1   -6   26   24 o   20.151   1.4942  406.722   56.847  488.869   77.938  313.343   83.096   22.398   1.7926   17.904   2.3910 4.494194 2.988343 
1 1 1   -6   26   25 o   73.487   0.9203  5261.62  126.963  5277.23  160.456  5235.49  207.634   73.659   1.1222   73.314   1.4590 0.3450775 1.840617 
1 1 1   -6   26   26 o   21.913   1.3902  467.393   58.412  373.797   79.476  577.344   86.140   19.528   2.0966   24.298   1.8263 -4.770081 2.780447 
1 1 1   -6   26   27 o   37.645   0.9423  1374.50   68.441  1312.09   91.087  1455.42  103.720   36.677   1.2794   38.612   1.3838 -1.935215 1.884585 
1 1 1   -6   26   28 o   54.851   1.1111  2934.32  118.303  2934.32  118.303   0.0000   0.0000   54.851   1.1111  ?   ?       ?      ? 
1 1 1   -6   26   29 o   32.203   1.1160  1021.94   69.356  1033.69   93.498  1007.57  103.421   32.435   1.4850   31.972   1.6664 0.4629631 2.232044 
1 1 1   -6   26   30 o   38.337   0.9963  1438.61   73.595  1393.08   97.648  1498.49  111.976   37.663   1.3356   39.011   1.4787 -1.347500 1.992581 
1 1 1   -6   26   31 o   12.473   2.5679  170.857   65.908  148.423   88.851  198.302   98.275   11.637   3.5821   13.309   3.6804 -1.671724 5.135848 
1 1 1   -6   26   32 o   26.015   1.4856  675.988   73.952  623.103   95.465  755.341  116.940   24.828   1.9808   27.201   2.2147 -2.372866 2.971245 
1 1 1   -6   27    1 o  116.099   1.0316 13090.51  221.299 13102.68  273.882 13067.63  375.614  116.180   1.2144  116.018   1.6678 0.1627045 2.063120 
1 1 1   -6   27    2 o  336.937   1.6188 110433.70  1027.69 111044.30  1306.68 109443.50  1663.98  338.181   1.9905  335.694   2.5535 2.487030 3.237655 
1 1 1   -6   27    3 o  214.228   1.3419 44390.43  521.318 44090.26  631.899 45030.14  922.473  213.111   1.5275  215.345   2.2067 -2.234024 2.683830 
1 1 1   -6   27    4 o  154.819   1.2220 23204.30  358.007 22978.45  456.724 23564.23  576.558  153.849   1.5293  155.789   1.9065 -1.939316 2.444093 
1 1 1   -6   27    5 o  134.226   1.5693 17402.19  321.815 17344.93  357.632 17645.89  737.778  133.668   1.3783  134.783   2.8198 -1.114990 3.138659 
1 1 1   -6   27    6 o  197.521   1.6520 38105.07  579.964 38429.81  694.195 37354.60  1055.30  198.947   1.7975  196.095   2.7723 2.852112 3.304090 
1 1 1   -6   27    7 o   61.572   2.2602  3685.63  269.684  3411.87  378.633  3967.51  384.209   59.248   3.2921   63.896   3.0976 -4.647648 4.520324 
1 1 1   -6   27    8 o   13.339   3.1271  161.660  102.329   13.181  171.891  243.168  127.356   11.137   4.6833   15.542   4.1452 -4.404446 6.254232 
1 1 1   -6   27    9 o  111.223   1.0024 12032.91  214.644 12191.66  286.812 11830.80  323.615  112.061   1.3185  110.385   1.5103 1.675697 2.004826 
1 1 1   -6   27   10 o   74.661   0.7737  5443.47  109.801  5576.52  142.507  5249.08  172.253   75.792   0.9686   73.529   1.2068 2.262627 1.547450 
1 1 1   -6   27   11 o   76.673   0.8816  5702.51  130.986  5796.33  191.646  5620.26  179.440   77.264   1.2778   76.083   1.2150 1.181114 1.763215 
1 1 1   -6   27   12 o   98.590   1.0618  9431.07  202.775  9557.20  297.585  9321.75  277.048   99.203   1.5453   97.977   1.4567 1.226524 2.123674 
1 1 1   -6   27   13 o   19.636   4.0737  368.521  154.473  418.139  286.803  348.245  183.338   20.707   6.4460   18.566   4.9830 2.141331 8.147450 
1 1 1   -6   27   14 o   79.026   0.9399  6065.89  144.092  6043.21  207.407  6087.05  200.332   78.882   1.3545   79.169   1.3036 -0.2875214 1.879880 
1 1 1   -6   27   15 o  129.801   1.2799 16379.65  320.953 16331.90  477.525 16418.99  433.460  129.620   1.8978  129.983   1.7179 -0.3628998 2.559877 
1 1 1   -6   27   16 o   91.134   1.0452  8073.39  184.670  7985.96  267.138  8153.41  255.570   90.659   1.5180   91.610   1.4372 -0.9506683 2.090359 
1 1 1   -6   27   17 o   60.566   0.8115  3560.85   95.257  3595.61  138.941  3530.02  130.850   60.844   1.1764   60.289   1.1181 0.5555038 1.622951 
1 1 1   -6   27   18 o  102.179   1.1670 10152.80  230.907 10111.95  338.153 10188.48  316.069  101.980   1.7082  102.377   1.5904 -0.3972473 2.333950 
1 1 1   -6   27   19 f   25.681   5.4445  674.136  292.735  666.681  423.171  680.977  405.380   25.598   7.8066   25.764   7.5913 -0.1661453 10.88902 
1 1 1   -6   27   20 o   56.866   0.7435  3116.85   80.770  3011.10  104.463  3274.05  127.360   55.680   0.9665   58.053   1.1302 -2.373009 1.487084 
1 1 1   -6   27   21 o   54.092   0.7600  2854.47   78.847  2923.64  104.473  2762.93  120.184   54.861   0.9810   53.323   1.1611 1.538044 1.520047 
1 1 1   -6   27   22 o   94.769   1.0154  8762.36  183.186  8882.31  237.783  8587.22  287.317   95.589   1.2815   93.950   1.5754 1.638649 2.030798 
1 1 1   -6   27   23 o  100.166   1.1174  9709.97  207.288  9583.42  256.366  9948.93  352.284   99.269   1.3304  101.063   1.7957 -1.793549 2.234847 
1 1 1   -6   27   24 o   58.523   0.8437  3329.69   94.505  3325.71  123.717  3335.27  146.439   58.490   1.0896   58.556   1.2883 -0.6579208E-01 1.687318 
1 1 1   -6   27   25 o   26.990   1.2183  721.298   62.867  830.442   86.767  600.680   91.214   29.187   1.5315   24.794   1.8952 4.392641 2.436611 
1 1 1   -6   27   26 o   55.541   0.8405  2986.06   89.194  2904.89  115.579  3105.56  140.249   54.629   1.0899   56.453   1.2798 -1.824627 1.681019 
1 1 1   -6   27   27 o   33.595   1.0159  1106.88   65.486  1132.69   86.867  1072.89   99.669   34.068   1.3135   33.121   1.5502 0.9470139 2.031874 
1 1 1   -6   27   28 o   26.962   1.1689  713.312   61.140  681.269   85.048  747.582   87.954   26.334   1.6637   27.590   1.6422 -1.256126 2.337734 
1 1 1   -6   27   29 o   33.800   1.0217  1119.14   66.832  1077.68   90.445  1169.00   99.189   33.124   1.4066   34.476   1.4821 -1.352413 2.043325 
1 1 1   -6   27   30 o   17.348   1.9653  311.234   64.011  257.263   88.164  371.399   93.086   15.557   3.0284   19.139   2.5055 -3.582105 3.930503 
1 1 1   -6   27   31 o   8.2681   2.4638   25.916   67.652   37.483   93.200   13.033   98.356   8.4479   3.4922   8.0883   3.4766 0.3595524 4.927687 
1 1 1   -6   27   32 o   18.026   2.3058  373.070   74.769  424.656   95.896  293.083  119.409   20.253   2.4392   15.799   3.9137 4.453199 4.611619 
1 1 1   -6   28    1 o  207.503   1.3698 41770.14  531.294 41672.75  666.407 41940.03  880.137  207.182   1.6570  207.825   2.1817 -0.6433258 2.739580 
1 1 1   -6   28    2 o  174.866   1.2838 29711.85  417.470 29770.54  520.736 29606.28  698.416  175.116   1.5319  174.617   2.0605 0.4997864 2.567518 
1 1 1   -6   28    3 o  275.056   1.4791 73555.83  748.802 73756.74  923.133 73169.34  1280.37  275.625   1.7254  274.487   2.4030 1.138336 2.958236 
1 1 1   -6   28    4 o  154.277   1.2405 23064.12  362.936 22900.24  465.142 23319.18  580.283  153.583   1.5602  154.971   1.9290 -1.387527 2.480945 
1 1 1   -6   28    5 o  135.218   1.5785 17489.97  324.750 17330.38  359.927 18188.81  753.166  133.609   1.3878  136.827   2.8357 -3.218140 3.157026 
1 1 1   -6   28    6 o  188.253   1.6425 34427.34  540.874 34435.61  638.933 34406.46  1016.02  188.321   1.7478  188.184   2.7813 0.1372223 3.284912 
1 1 1   -6   28    7 o  194.570   1.6638 36619.36  569.954 36411.43  675.207 37134.77  1063.04  193.644   1.7963  195.495   2.8012 -1.851334 3.327660 
1 1 1   -6   28    8 f  121.031   1.2636 14220.20  296.802 14018.10  414.464 14432.93  425.224  120.148   1.7771  121.913   1.7968 -1.764122 2.527156 
1 1 1   -6   28    9 o  156.383   1.2750 23827.04  381.327 24210.12  500.451 23296.73  588.817  157.895   1.6328  154.871   1.9586 3.024551 2.549914 
1 1 1   -6   28   10 o   73.595   0.7511  5262.03  104.691  5275.61  134.161  5240.88  167.411   73.718   0.9375   73.471   1.1738 0.2472076 1.502275 
1 1 1   -6   28   11 o   51.485   0.6723  2574.37   67.101  2552.05   97.191  2594.70   92.754   51.272   0.9765   51.699   0.9242 -0.4272919 1.344552 
1 1 1   -6   28   12 o  114.896   1.1470 12808.71  254.992 12972.06  377.109 12671.11  346.107  115.567   1.6810  114.225   1.5609 1.342949 2.293964 
1 1 1   -6   28   13 f  174.106   1.4396 29382.81  482.726 30056.37  733.604 28868.46  641.071  175.848   2.1491  172.364   1.9160 3.484680 2.879183 
1 1 1   -6   28   14 o  100.170   1.0861  9743.22  210.702  9817.84  309.150  9678.49  287.935  100.525   1.5843   99.815   1.4860 0.7100143 2.172151 
1 1 1   -6   28   15 o   92.224   1.0496  8261.35  187.665  8293.69  272.706  8232.26  258.648   92.393   1.5205   92.054   1.4474 0.3384781 2.099295 
1 1 1   -6   28   16 o  177.663   1.5040 30567.94  512.430 31559.29  794.036 29860.39  670.818  180.093   2.2713  175.233   1.9721 4.860001 3.007985 
1 1 1   -6   28   17 o  101.678   1.1478 10057.34  225.778  9946.25  332.327 10152.57  307.692  101.149   1.6925  102.206   1.5509 -1.056892 2.295615 
1 1 1   -6   28   18 o   32.700   5.2924  1229.15  310.979  732.189  597.156  1414.07  364.272   27.517   9.3543   37.884   4.9534 -10.36720 10.58488 
1 1 1   -6   28   19 o   53.976   0.8052  2834.82   84.231  2694.49  120.421  2969.25  117.862   52.664   1.1779   55.288   1.0982 -2.623360 1.610446 
1 1 1   -6   28   20 o   24.406   0.9962  578.111   47.099  527.197   65.316  633.262   67.979   23.288   1.4449   25.525   1.3720 -2.237289 1.992491 
1 1 1   -6   28   21 f   25.407   1.0059  627.613   49.607  617.610   69.622  637.927   70.699   25.202   1.4232   25.613   1.4220 -0.4111977 2.011801 
1 1 1   -6   28   22 o   28.031   1.0442  761.682   56.714  711.137   77.602  819.625   83.089   27.036   1.4786   29.026   1.4747 -1.989294 2.088302 
1 1 1   -6   28   23 o   34.735   0.9643  1172.33   64.706  1161.17   87.126  1186.05   96.627   34.554   1.2989   34.916   1.4257 -0.3612099 1.928634 
1 1 1   -6   28   24 o   51.361   1.0771  2564.61  107.387  2564.61  107.387   0.0000   0.0000   51.361   1.0771  ?   ?       ?      ? 
1 1 1   -6   28   25 o   44.710   0.8799  1951.46   75.727  1988.35  101.323  1904.77  113.978   45.200   1.1548   44.220   1.3278 0.9795456 1.759734 
1 1 1   -6   28   26 o   24.648   1.2720  602.990   59.833  715.472   83.604  484.892   85.666   27.060   1.5916   22.236   1.9847 4.824209 2.544046 
1 1 1   -6   28   27 o   19.716   1.6169  385.699   61.107  312.786   85.400  462.197   87.473   17.768   2.4760   21.664   2.0800 -3.895695 3.233716 
1 1 1   -6   28   28 o   26.367   1.2044  683.555   61.508  622.751   85.544  748.634   88.501   25.144   1.7526   27.591   1.6524 -2.446886 2.408774 
1 1 1   -6   28   29 o   32.603   1.0896  1041.75   68.461  1005.43   90.849  1089.49  104.142   31.972   1.4638   33.235   1.6142 -1.262371 2.179108 
1 1 1   -6   28   30 o   32.598   1.0923  1052.70   68.745  1078.47   93.229  1021.99  101.771   33.070   1.4523   32.126   1.6319 0.9440422 2.184578 
1 1 1   -6   28   31 o   43.103   0.9864  1832.06   82.083  1799.39  110.035  1873.05  123.252   42.708   1.3273   43.499   1.4596 -0.7918243 1.972871 
1 1 1   -6   28   32 o   36.511   1.2621  1331.74   88.957  1449.34  134.678  1240.72  118.480   37.894   1.8309   35.128   1.7375 2.766041 2.524106 
1 1 1   -6   29    1 o  166.413   1.2864 26891.61  395.855 26896.85  490.215 26881.79  671.112  166.446   1.5172  166.379   2.0779 0.6678772E-01 2.572889 
1 1 1   -6   29    2 o  259.185   1.5006 65262.49  729.510 65337.07  920.282 65136.38  1196.69  259.402   1.8276  258.967   2.3805 0.4353943 3.001162 
1 1 1   -6   29    3 o   66.186   0.9100  4245.96  116.826  4425.87  169.414  4082.83  161.317   67.521   1.2926   64.851   1.2814 2.669365 1.820099 
1 1 1   -6   29    4 o   69.062   0.7898  4606.43   97.734  4569.24  117.227  4691.21  176.992   68.609   0.8802   69.515   1.3116 -0.9054489 1.579594 
1 1 1   -6   29    5 o  141.850   1.6393 19891.79  371.364 20164.68  420.855 18931.89  789.310  144.116   1.5044  139.583   2.9131 4.532990 3.278576 
1 1 1   -6   29    6 o   62.098   1.6312  3599.59   93.426  3580.31   96.241  3914.74  389.111   60.733   0.8163   63.464   3.1585 -2.730984 3.262312 
1 1 1   -6   29    7 o   81.514   1.6786  6664.75  154.978  6714.98  163.135  6199.84  496.305   83.170   1.0104   79.857   3.2016 3.313522 3.357296 
1 1 1   -6   29    8 o   90.327   1.6300  7969.70  178.150  7981.65  188.814  7872.79  537.721   90.674   1.0727   89.981   3.0785 0.6921616 3.260043 
1 1 1   -6   29    9 o   79.146   0.7903  6056.56  117.716  5981.38  148.740  6182.58  192.574   78.494   0.9762   79.798   1.2432 -1.303871 1.580652 
1 1 1   -6   29   10 o  171.835   1.2632 28692.34  420.131 28835.57  573.424 28526.35  617.311  172.303   1.7144  171.367   1.8557 0.9367065 2.526446 
1 1 1   -6   29   11 o  108.381   0.9874 11466.92  204.461 11770.41  268.438 11047.58  315.543  110.102   1.2560  106.659   1.5240 3.443779 1.974891 
1 1 1   -6   29   12 o   87.474   0.9947  7424.01  168.536  7531.71  247.312  7330.63  230.288   88.064   1.4467   86.884   1.3654 1.180733 1.989307 
1 1 1   -6   29   13 o   55.013   0.7312  2933.20   77.959  3030.17  114.131  2848.39  106.742   55.864   1.0525   54.163   1.0152 1.700756 1.462330 
1 1 1   -6   29   14 o   57.520   0.7666  3213.46   85.535  3194.80  123.053  3230.89  118.981   57.358   1.1052   57.682   1.0626 -0.3241653 1.533151 
1 1 1   -6   29   15 o   91.590   1.0452  8147.71  185.682  8213.81  268.553  8087.18  257.015   91.944   1.5047   91.236   1.4512 0.7081070 2.090453 
1 1 1   -6   29   16 o   48.359   3.4808  2421.09  301.967  1935.14  507.229  2687.87  375.823   44.271   5.9023   52.447   3.6914 -8.176659 6.961631 
1 1 1   -6   29   17 f   30.876   5.1495  1054.72  303.920  662.981  525.406  1251.71  372.579   26.153   8.7749   35.600   5.3915 -9.446789 10.29891 
1 1 1   -6   29   18 o   15.694   1.4414  235.254   43.469  286.448   66.506  197.071   57.437   17.158   1.9968   14.230   2.0793 2.927806 2.882875 
1 1 1   -6   29   19 o   7.2697   1.9745   20.822   44.336 -55.6081   70.985   69.707   56.770   5.8550   2.6977   8.6844   2.8838 -2.829419 3.948925 
1 1 1   -6   29   20 o   30.610   0.8243  912.326   48.814  999.771   69.099  825.214   68.967   32.079   1.1097   29.141   1.2192 2.937664 1.648572 
1 1 1   -6   29   21 o   44.041   0.7668  1883.07   65.273  1868.71   88.166  1900.49   97.098   43.857   1.0356   44.224   1.1311 -0.3671913 1.533559 
1 1 1   -6   29   22 o   50.518   0.8045  2490.13   78.281  2565.40  105.316  2397.21  117.017   51.379   1.0560   49.656   1.2140 1.722881 1.608967 
1 1 1   -6   29   23 o  110.720   1.2217 11911.97  250.306 11842.06  309.822 12043.35  424.739  110.314   1.4468  111.125   1.9690 -0.8107681 2.443409 
1 1 1   -6   29   24 o   16.091   1.9251  257.358   57.968  200.589   79.061  323.356   85.246   14.015   2.9967   18.167   2.4173 -4.151772 3.850152 
1 1 1   -6   29   25 o   38.460   0.9463  1425.80   70.182  1311.58   92.962  1577.18  107.021   36.692   1.3052   40.228   1.3705 -3.536232 1.892529 
1 1 1   -6   29   26 o   32.196   1.0131  1008.63   63.089  974.012   85.097  1050.87   94.010   31.591   1.3877   32.802   1.4764 -1.210796 2.026206 
1 1 1   -6   29   27 o   20.038   1.5235  396.189   59.247  403.514   84.824  389.211   82.789   20.218   2.1614   19.858   2.1477 0.3594646 3.046971 
1 1 1   -6   29   28 o   8.1883   2.2713   19.263   59.288   97.394   82.368 -64.7371   85.405   10.056   3.4725   6.3208   2.9287 3.734951 4.542615 
1 1 1   -6   29   29 o   20.382   1.5545  415.304   61.446  391.729   86.036  439.848   87.787   19.780   2.2407   20.984   2.1552 -1.203743 3.108932 
1 1 1   -6   29   30 o   16.567   2.0661  290.246   63.829  370.097   92.092  216.423   88.547   19.057   2.4895   14.077   3.2981 4.979234 4.132178 
1 1 1   -6   29   31 o   19.075   2.0913  409.933   70.003  564.266   96.655  239.670  101.521   23.601   2.1097   14.549   3.6115 9.052335 4.182601 
1 1 1   -6   29   32 o   6.2195   2.1238 -143.5725   77.813 -185.9887  110.393 -101.6886  109.699   5.8207   2.8557   6.6183   3.1445 -0.7976513 4.247696 
1 1 1   -6   30    1 f  192.035   1.3371 35819.85  479.160 35846.12  600.156 35773.68  795.766  192.145   1.6091  191.925   2.1359 0.2195282 2.674188 
1 1 1   -6   30    2 o   78.248   0.7877  5839.42  101.704  5748.52  115.971  6142.16  211.648   76.956   0.7763   79.540   1.3708 -2.584435 1.575324 
1 1 1   -6   30    3 o   22.353   1.0384  439.160   35.141  414.687   38.508  561.026   85.931   20.669   0.9598   24.037   1.8417 -3.367790 2.076756 
1 1 1   -6   30    4 o  166.999   1.3133 26989.55  413.861 26695.40  525.402 27470.46  671.794  165.813   1.6323  168.184   2.0577 -2.371109 2.626539 
1 1 1   -6   30    5 o   98.521   1.6991  9946.40  216.811 10135.70  233.304  8747.78  587.073  102.179   1.1762   94.862   3.1881 7.317032 3.398169 
1 1 1   -6   30    6 o  105.415   1.6403 11041.39  230.758 11136.83  248.949 10458.99  614.974  107.105   1.1974  103.724   3.0543 3.380745 3.280620 
1 1 1   -6   30    7 o  274.926   1.8043 73327.09  920.077 73021.07  1142.33 73892.23  1552.40  274.163   2.1464  275.689   2.9008 -1.526672 3.608582 
1 1 1   -6   30    8 o  185.431   1.7091 33427.11  547.529 33438.46  641.824 33396.73  1049.36  185.545   1.7820  185.317   2.9170 0.2280884 3.418273 
1 1 1   -6   30    9 o  199.227   1.3339 38542.46  515.248 38271.34  710.121 38843.89  748.756  198.492   1.8430  199.963   1.9290 -1.471451 2.667874 
1 1 1   -6   30   10 o   55.701   1.6360  3436.14   92.811  3520.92   97.140  2548.03  314.397   60.225   0.8309   51.177   3.1648 9.048065 3.272020 
1 1 1   -6   30   11 o  128.389   1.0886 15999.58  267.797 15950.15  351.326 16068.13  413.722  128.159   1.4122  128.619   1.6571 -0.4601898 2.177188 
1 1 1   -6   30   12 o   57.040   0.7448  3158.35   82.379  3174.25  119.478  3143.94  113.737   57.177   1.0765   56.904   1.0297 0.2726288 1.489626 
1 1 1   -6   30   13 o   24.443   0.7883  577.847   36.988  595.467   57.081  565.094   48.564   24.762   1.1875   24.124   1.0371 0.6381569 1.576607 
1 1 1   -6   30   14 f   42.494   0.6979  1756.06   57.447  1706.45   83.339  1800.97   79.295   41.921   1.0241   43.067   0.9485 -1.146767 1.395878 
1 1 1   -6   30   15 o   37.257   0.7107  1350.12   51.278  1310.97   74.460  1385.44   70.720   36.742   1.0440   37.773   0.9645 -1.030502 1.421320 
1 1 1   -6   30   16 o  127.793   1.3292 15848.01  326.549 16122.07  499.548 15643.54  431.507  128.739   1.9989  126.847   1.7524 1.892433 2.658353 
1 1 1   -6   30   17 o  139.639   1.4436 18881.85  387.964 19655.04  593.575 18305.20  512.613  142.103   2.1518  137.175   1.9251 4.927490 2.887265 
1 1 1   -6   30   18 o   65.325   0.8740  4146.79  110.582  4134.97  161.703  4157.17  151.561   65.235   1.2769   65.415   1.1936 -0.1793518 1.747905 
1 1 1   -6   30   19 o  105.321   1.2138 10794.85  247.621 10713.98  361.631 10866.24  339.769  104.942   1.7752  105.701   1.6559 -0.7591095 2.427650 
1 1 1   -6   30   20 o  111.047   1.3209 11925.47  281.254 12507.81  437.484 11515.23  367.193  113.319   1.9888  108.775   1.7390 4.543983 2.641870 
1 1 1   -6   30   21 o   39.592   0.8111  1524.99   62.165  1547.19   85.151  1499.65   90.965   39.902   1.0993   39.281   1.1930 0.6219177 1.622247 
1 1 1   -6   30   22 o   41.226   0.8282  1654.26   66.138  1689.61   91.226  1615.10   96.024   41.693   1.1272   40.759   1.2136 0.9342232 1.656331 
1 1 1   -6   30   23 o   32.122   0.9967  999.119   61.759  851.593   84.410  1169.07   90.598   29.579   1.4701   34.664   1.3464 -5.085646 1.993473 
1 1 1   -6   30   24 o   58.976   0.8598  3403.26   96.886  3495.19  127.259  3276.51  149.430   59.944   1.0937   58.008   1.3270 1.935463 1.719627 
1 1 1   -6   30   25 o   36.709   0.9763  1326.78   68.650  1411.79   91.855  1219.21  103.325   38.069   1.2430   35.348   1.5058 2.721779 1.952577 
1 1 1   -6   30   26 o   10.790   2.4298  114.845   57.051  106.323   76.474  125.541   85.672   10.387   3.3407   11.193   3.5292 -0.8067608 4.859626 
1 1 1   -6   30   27 o   21.068   1.4167  439.881   57.549  496.426   81.233  382.905   81.542   22.457   1.8635   19.680   2.1345 2.777077 2.833489 
1 1 1   -6   30   28 o   11.120   2.3919  121.431   59.574   61.364   81.207  191.431   87.664   8.8733   3.3879   13.366   3.3774 -4.492685 4.783783 
1 1 1   -6   30   29 o   17.959   1.9379  356.806   60.544  497.079   83.199  198.915   88.270   22.359   1.9170   13.560   3.3685 8.798475 3.875757 
1 1 1   -6   30   30 o   23.046   1.5455  541.466   68.188  574.883   91.197  499.099  102.685   23.948   1.9618   22.145   2.3887 1.803194 3.091055 
1 1 1   -6   30   31 o   25.610   1.4671  652.248   71.923  521.205   95.280  825.825  109.658   22.626   2.1694   28.594   1.9756 -5.968597 2.934135 
1 1 1   -6   31    1 o   59.495   0.8381  3443.79   96.540  3571.80  133.462  3303.30  139.817   60.657   1.1335   58.332   1.2348 2.325512 1.676131 
1 1 1   -6   31    2 o   46.719   2.2278  2481.86   60.272  2501.70   61.109  1772.52  365.460   50.768   0.6201   42.670   4.4122 8.097527 4.455524 
1 1 1   -6   31    3 o  227.284   1.5212 50094.60  660.529 49722.61  859.482 50631.29  1032.36  226.270   1.9568  228.298   2.3295 -2.028915 3.042303 
1 1 1   -6   31    4 f  184.604   1.3780 32986.67  482.839 32578.17  619.006 33621.43  771.617  183.161   1.7410  186.046   2.1366 -2.885223 2.756076 
1 1 1   -6   31    5 o   74.568   1.6301  5257.92  124.683  5232.84  129.528  5574.50  460.175   73.421   0.9088   75.716   3.1309 -2.295280 3.260153 
1 1 1   -6   31    6 o  105.354   1.7017 11190.06  239.231 11349.63  258.474 10236.56  631.834  108.119   1.2315  102.588   3.1728 5.531090 3.403415 
1 1 1   -6   31    7 o   38.170   2.4433  1674.48   55.192  1689.46   56.005  1169.64  325.097   41.719   0.6916   34.621   4.8374 7.098122 4.886570 
1 1 1   -6   31    8 o   26.042   3.2640  1135.05   47.095  1158.95   47.716  234.668  292.885   34.553   0.7114   17.532   6.4891 17.02164 6.527987 
1 1 1   -6   31    9 o  117.099   1.0935 13313.28  239.948 13304.66  302.157 13327.99  394.804  117.056   1.3298  117.141   1.7362 -0.8538818E-01 2.186945 
1 1 1   -6   31   10 o  193.243   1.3298 36265.06  497.921 36073.60  683.011 36482.23  727.419  192.704   1.8259  193.782   1.9338 -1.078186 2.659578 
1 1 1   -6   31   11 o  100.773   0.9615  9911.82  184.458 10126.28  239.949  9601.99  288.414  102.119   1.2105   99.428   1.4943 2.690918 1.923064 
1 1 1   -6   31   12 o   72.389   0.8671  5082.71  121.708  5219.85  177.091  4959.95  167.548   73.313   1.2444   71.466   1.2078 1.847244 1.734109 
1 1 1   -6   31   13 o  145.166   1.3611 20458.26  381.433 20742.98  571.884 20230.10  511.936  146.063   2.0170  144.269   1.8280 1.794662 2.722102 
1 1 1   -6   31   14 o   98.200   1.0968  9361.51  208.413  9478.59  308.179  9262.83  282.919   98.761   1.6075   97.639   1.4927 1.122246 2.193679 
1 1 1   -6   31   15 f  141.641   1.3586 19461.11  371.945 19995.96  555.429 19026.27  500.820  143.391   1.9955  139.891   1.8443 3.499695 2.717206 
1 1 1   -6   31   16 o   47.417   0.7410  2189.15   68.028  2069.97   97.914  2300.36   94.585   46.164   1.0926   48.669   1.0012 -2.504143 1.481953 
1 1 1   -6   31   17 o   66.151   0.8674  4252.20  111.338  4107.96  157.251  4397.20  157.660   65.025   1.2458   67.278   1.2072 -2.252243 1.734760 
1 1 1   -6   31   18 o   64.717   0.8727  4070.78  109.555  3880.58  154.584  4262.73  155.287   63.196   1.2601   66.238   1.2077 -3.041645 1.745418 
1 1 1   -6   31   19 o   72.427   0.9476  5097.73  132.622  5107.38  197.302  5089.79  179.125   72.484   1.4022   72.369   1.2751 0.1152573 1.895281 
1 1 1   -6   31   20 o   93.280   1.1949  8458.69  216.238  8104.69  300.472  8839.00  311.438   91.257   1.6962   95.303   1.6834 -4.046341 2.389768 
1 1 1   -6   31   21 o   78.074   0.9187  5872.27  134.488  5721.30  168.505  6137.19  223.219   76.722   1.1314   79.426   1.4478 -2.703735 1.837445 
1 1 1   -6   31   22 f   17.353   1.7254  301.300   54.897  214.665   76.051  395.560   79.326   14.567   2.7911   20.139   2.0292 -5.572156 3.450778 
1 1 1   -6   31   23 o   10.799   2.3385  115.074   53.522  117.895   78.824  112.661   72.904   10.936   3.3752   10.662   3.2378 0.2746029 4.677054 
1 1 1   -6   31   24 o   37.897   0.9339  1389.81   68.124  1333.03   89.908  1466.36  104.389   37.001   1.2518   38.793   1.3862 -1.792252 1.867773 
1 1 1   -6   31   25 o   48.328   0.8567  2281.32   79.347  2313.39  104.638  2237.93  121.714   48.744   1.1059   47.912   1.3087 0.8318748 1.713355 
1 1 1   -6   31   26 o   26.506   1.2043  688.059   61.938  676.083   86.115  700.893   89.150   26.269   1.6888   26.743   1.7173 -0.4734058 2.408543 
1 1 1   -6   31   27 o   26.125   1.1799  669.091   59.675  695.862   88.291  646.576   80.970   26.597   1.7101   25.654   1.6259 0.9427357 2.359703 
1 1 1   -6   31   28 o   7.5650   2.2495   4.0547   58.609 -45.8262   83.656   52.141   82.137   6.5160   2.9746   8.6140   3.3753 -2.098065 4.498942 
1 1 1   -6   31   29 o   14.236   2.3794  221.520   64.808  241.827   88.986  198.583   94.574   15.016   3.1533   13.456   3.5641 1.559622 4.758773 
1 1 1   -6   31   30 o   11.628   2.5374  146.279   64.284  106.693   88.857  189.749   93.114   10.231   3.6023   13.025   3.5745 -2.794161 5.074792 
1 1 1   -6   31   31 o   9.6344   2.6881   65.548   76.239  138.159  115.688   9.8053  101.364   11.256   4.0924   8.0127   3.4866 3.243389 5.376239 
1 1 1   -6   32    1 o  142.555   1.1742 19643.84  309.349 19441.79  381.893 20029.45  527.564  141.505   1.3903  143.605   1.8925 -2.100311 2.348304 
1 1 1   -6   32    2 o  196.833   1.4162 37599.45  529.725 37471.43  682.117 37793.97  840.823  196.426   1.7889  197.239   2.1961 -0.8130188 2.832489 
1 1 1   -6   32    3 o   57.575   0.7438  3204.67   75.272  3186.62   89.073  3249.75  140.779   57.295   0.8009   57.855   1.2535 -0.5594635 1.487518 
1 1 1   -6   32    4 o   72.349   0.8075  5073.89  105.875  5059.60  128.384  5104.25  187.187   72.194   0.9161   72.505   1.3300 -0.3106995 1.614953 
1 1 1   -6   32    5 o  143.530   1.6473 20052.76  368.548 20075.41  412.717 19963.62  818.815  143.783   1.4787  143.277   2.9440 0.5057983 3.294530 
1 1 1   -6   32    6 o   39.190   2.3307  1607.40   55.946  1613.89   56.737  1379.40  336.215   40.775   0.7168   37.604   4.6059 3.170399 4.661326 
1 1 1   -6   32    7 o   79.835   1.8804  6795.73  162.861  6932.28  171.236  5501.32  527.211   84.501   1.0439   75.169   3.6131 9.332542 3.760896 
1 1 1   -6   32    8 o   73.477   1.7737  5277.17  127.815  5281.87  132.467  5213.86  486.556   73.762   0.9251   73.192   3.4246 0.5701981 3.547328 
1 1 1   -6   32    9 o  243.835   1.6010 57617.25  746.598 56837.15  972.506 58736.91  1165.10  241.857   2.0714  245.813   2.4417 -3.955902 3.201985 
1 1 1   -6   32   10 o   45.605   0.7553  1997.70   63.848  2091.27  108.861  1948.64   78.830   46.408   1.2084   44.802   0.9064 1.606083 1.510585 
1 1 1   -6   32   11 o   54.336   0.6384  2856.95   65.780  2822.94   84.192  2910.25  105.390   53.924   0.8043   54.748   0.9917 -0.8241615 1.276847 
1 1 1   -6   32   12 o   53.980   0.7181  2830.00   75.230  2793.74  107.147  2865.27  105.651   53.639   1.0291   54.322   1.0019 -0.6830139 1.436244 
1 1 1   -6   32   13 o   47.237   0.6917  2166.83   63.423  2143.12   89.929  2190.30   89.460   46.980   0.9861   47.494   0.9703 -0.5146751 1.383465 
1 1 1   -6   32   14 o   54.196   0.7422  2853.87   78.025  2804.86  111.871  2900.29  108.879   53.742   1.0723   54.650   1.0263 -0.9078636 1.484345 
1 1 1   -6   32   15 o   58.823   0.7932  3362.56   90.483  3316.70  130.364  3405.20  125.687   58.435   1.1493   59.211   1.0935 -0.7766190 1.586370 
1 1 1   -6   32   16 o  101.181   1.1597  9948.31  227.023 10008.65  335.496  9897.34  308.338  101.457   1.7035  100.905   1.5742 0.5526505 2.319455 
1 1 1   -6   32   17 o   42.142   0.7704  1722.36   62.366  1743.59   95.611  1706.64   82.279   42.365   1.1626   41.919   1.0112 0.4466820 1.540810 
1 1 1   -6   32   18 o   97.275   1.1830  9161.53  221.580  9519.20  338.096  8892.24  293.365   98.920   1.7607   95.629   1.5804 3.291870 2.365936 
1 1 1   -6   32   19 o   40.222   0.8494  1577.24   66.027  1509.62   96.817  1636.03   90.279   39.411   1.2655   41.033   1.1334 -1.622574 1.698868 
1 1 1   -6   32   20 o   86.967   1.1347  7352.34  191.386  7491.04  277.753  7226.96  264.084   87.744   1.6307   86.190   1.5784 1.553764 2.269498 
1 1 1   -6   32   21 f   50.983   0.7960  2530.51   78.086  2558.11  104.076  2494.96  118.113   51.307   1.0450   50.660   1.2011 0.6471405 1.592026 
1 1 1   -6   32   22 o   66.968   0.8644  4315.65  109.243  4175.01  138.055  4551.21  178.670   65.537   1.0852   68.399   1.3457 -2.861649 1.728705 
1 1 1   -6   32   23 o   29.293   1.0523  835.917   59.771  837.185   82.665  834.527   86.525   29.318   1.4525   29.267   1.5230 0.5159378E-01 2.104587 
1 1 1   -6   32   24 o   43.989   0.8749  1900.41   74.031  2051.11  100.898  1724.68  108.958   45.906   1.1323   42.072   1.3341 3.833862 1.749838 
1 1 1   -6   32   25 o   28.023   1.1406  769.318   61.574  652.006   85.933  893.102   88.272   25.810   1.7152   30.237   1.5039 -4.426531 2.281131 
1 1 1   -6   32   26 o   33.477   1.0008  1095.99   64.972  1106.23   90.104  1084.91   93.774   33.646   1.3796   33.308   1.4503 0.3375816 2.001694 
1 1 1   -6   32   27 o   9.4059   2.4200   76.648   58.004   52.686   83.572   98.920   80.570   8.7282   3.4088   10.084   3.4360 -1.355357 4.840057 
1 1 1   -6   32   28 o   47.092   0.8921  2180.48   81.232  2269.16  111.561  2080.41  118.514   48.139   1.1939   46.046   1.3259 2.092918 1.784186 
1 1 1   -6   32   29 f   21.112   1.6085  451.639   65.009  545.391   93.288  363.131   90.642   23.324   2.0605   18.900   2.4706 4.423586 3.217060 
1 1 1   -6   32   30 o   11.120   2.3959  116.556   64.451   19.926   87.422  231.608   95.393   7.8344   3.3196   14.405   3.4557 -6.570691 4.791818 
1 1 1   -6   32   31 f   9.4143   2.7055   67.739   76.466   84.244  118.899   56.097   99.855   9.9324   4.0046   8.8962   3.6391 1.036160 5.411084 
1 1 1   -6   33    1 o  135.107   1.1641 17795.16  289.806 17944.02  358.230 17513.21  493.019  135.941   1.3575  134.273   1.8915 1.668365 2.328239 
1 1 1   -6   33    2 o  150.486   1.2450 21854.24  351.006 21467.86  440.063 22529.96  581.955  148.683   1.5247  152.289   1.9686 -3.606522 2.489999 
1 1 1   -6   33    3 o   77.980   0.8549  5924.22  122.332  5966.57  150.512  5841.80  209.984   78.396   0.9890   77.563   1.3946 0.8327560 1.709745 
1 1 1   -6   33    4 o  110.443   1.0487 11848.35  215.947 11857.08  270.163 11832.91  359.372  110.507   1.2594  110.378   1.6772 0.1287766 2.097448 
1 1 1   -6   33    5 o  161.778   1.7289 25860.32  462.024 26254.72  531.198 24634.90  936.328  164.415   1.6644  159.140   3.0310 5.274933 3.457880 
1 1 1   -6   33    6 o   84.966   1.7818  7245.98  167.400  7297.26  175.721  6742.61  550.498   86.697   1.0441   83.234   3.4071 3.463509 3.563537 
1 1 1   -6   33    7 o  101.655   1.6961 10097.00  218.565 10114.24  233.284  9973.19  625.220  102.065   1.1775  101.245   3.1812 0.8196335 3.392118 
1 1 1   -6   33    8 o   94.323   1.7739  8905.94  198.585  8975.90  210.274  8328.65  604.030   96.150   1.1266   92.497   3.3641 3.653320 3.547722 
1 1 1   -6   33    9 o   54.138   0.6352  2839.50   64.883  2820.33   82.423  2870.71  105.210   53.900   0.7878   54.376   0.9967 -0.4761658 1.270448 
1 1 1   -6   33   10 o   61.037   0.7624  3602.81   90.106  3821.87  133.355  3418.79  122.229   62.737   1.0950   59.337   1.0612 3.399723 1.524836 
1 1 1   -6   33   11 o   24.950   1.0208  632.586   40.483  556.350   84.790  655.096   46.073   23.925   1.8257   25.975   0.9137 -2.050060 2.041579 
1 1 1   -6   33   12 o   90.628   0.8908  8003.28  152.439  8090.89  194.790  7864.83  244.865   91.278   1.0993   89.978   1.4019 1.299232 1.781555 
1 1 1   -6   33   13 o   84.126   0.9806  6876.38  159.995  6855.04  230.990  6896.06  221.824   83.999   1.4166   84.253   1.3563 -0.2543564 1.961214 
1 1 1   -6   33   14 o   66.442   0.8423  4285.06  108.535  4351.47  157.397  4224.86  149.863   66.932   1.2114   65.953   1.1706 0.9792099 1.684569 
1 1 1   -6   33   15 o   70.804   0.8991  4867.08  123.316  4921.72  180.838  4819.58  168.596   71.173   1.3089   70.435   1.2331 0.7383194 1.798266 
1 1 1   -6   33   16 o   32.813   0.7814  1042.78   49.191  1065.50   75.948  1026.35   64.563   33.118   1.1814   32.508   1.0231 0.6105080 1.562824 
1 1 1   -6   33   17 o   35.745   0.8112  1243.92   55.629  1223.26   85.065  1259.35   73.532   35.482   1.2350   36.007   1.0520 -0.5248451 1.622354 
1 1 1   -6   33   18 o   72.021   0.9656  5036.29  134.855  5157.56  196.054  4927.40  185.788   72.841   1.3865   71.201   1.3442 1.640587 1.931168 
1 1 1   -6   33   19 o   38.496   0.8506  1430.37   63.023  1513.64   96.680  1368.84   83.109   39.461   1.2621   37.531   1.1407 1.929852 1.701248 
1 1 1   -6   33   20 o   36.245   0.9703  1270.16   67.421  1323.99  104.805  1232.15   88.062   36.892   1.4635   35.599   1.2743 1.292793 1.940542 
1 1 1   -6   33   21 o   8.6257   2.2778   53.898   51.597   71.006   74.036   37.741   71.947   9.1919   3.2826   8.0596   3.1587 1.132315 4.555513 
1 1 1   -6   33   22 o   24.756   1.1507  597.436   55.251  611.275   77.173  582.884   79.137   25.053   1.5869   24.460   1.6667 0.5930157 2.301319 
1 1 1   -6   33   23 f   24.622   1.1988  593.431   57.060  616.358   78.204  567.331   83.440   25.139   1.6026   24.105   1.7832 1.034370 2.397530 
1 1 1   -6   33   24 o   38.995   0.8901  1480.18   67.342  1413.94   93.847  1550.50   96.690   38.095   1.2691   39.894   1.2485 -1.799732 1.780291 
1 1 1   -6   33   25 o   30.947   1.0523  936.549   63.094  1009.20   89.686  865.361   88.777   32.143   1.4374   29.750   1.5372 2.392286 2.104569 
1 1 1   -6   33   26 o   24.608   1.3021  595.226   62.169  614.312   89.536  577.457   86.390   24.987   1.8459   24.228   1.8369 0.7595406 2.604139 
1 1 1   -6   33   27 o   20.903   1.5104  435.216   61.142  472.358   86.930  398.853   86.012   21.806   2.0536   20.000   2.2154 1.805895 3.020837 
1 1 1   -6   33   28 o   14.072   2.3084  213.166   61.908  229.747   86.577  195.818   88.559   14.682   3.1332   13.461   3.3908 1.220704 4.616724 
1 1 1   -6   33   29 o   8.9762   2.3522   36.853   63.214 -59.8578   86.805  146.049   92.237   6.3697   2.9518   11.583   3.6630 -5.213053 4.704311 
1 1 1   -6   33   30 o   9.2226   2.5329   72.214   65.083   80.905   89.694   62.550   94.582   9.4118   3.5684   9.0333   3.5958 0.3784876 5.065868 
1 1 1   -6   33   31 o   22.063   1.8724  509.179   79.677  547.044  121.103  480.278  105.801   22.715   2.7465   21.412   2.5455 1.303221 3.744713 
1 1 1   -6   34    1 o   97.894   0.9653  9373.39  174.455  9530.48  216.576  9083.13  294.401   99.077   1.1261   96.710   1.5682 2.367035 1.930625 
1 1 1   -6   34    2 o   45.481   0.7159  2021.09   57.998  2041.11   69.557  1975.43  105.060   45.855   0.7814   45.106   1.1999 0.7482643 1.431895 
1 1 1   -6   34    3 o  171.905   1.3481 28600.86  438.266 28244.70  558.235 29173.10  707.591  170.531   1.6864  173.278   2.1036 -2.747299 2.696129 
1 1 1   -6   34    4 o   68.654   1.9805  5013.22  124.793  5076.66  129.122  4114.27  486.065   72.315   0.9198   64.993   3.8527 7.321564 3.960939 
1 1 1   -6   34    5 o   42.336   2.3700  1822.18   60.827  1826.45   61.642  1663.72  375.406   43.377   0.7321   41.295   4.6831 2.081940 4.740023 
1 1 1   -6   34    6 o  129.627   1.7692 16997.67  341.157 17390.71  378.804 15309.89  784.970  133.822   1.4582  125.433   3.2239 8.389023 3.538321 
1 1 1   -6   34    7 o   33.876   2.9601  1293.33   51.561  1300.59   52.157  981.115  342.179   36.603   0.7340   31.149   5.8745 5.454626 5.920232 
1 1 1   -6   34    8 o   42.871   2.4464  1823.14   61.155  1824.74   61.890  1756.65  397.998   43.356   0.7354   42.386   4.8372 0.9697990 4.892782 
1 1 1   -6   34    9 o   65.286   0.7205  4128.19   87.772  4101.43  109.723  4175.73  146.267   64.996   0.8696   65.576   1.1490 -0.5792542 1.441040 
1 1 1   -6   34   10 o  104.660   0.9741 10695.96  194.023 10938.01  252.320 10345.78  303.491  106.125   1.2248  103.195   1.5150 2.930000 1.948206 
1 1 1   -6   34   11 o   70.651   0.7544  4871.06  100.467  4950.06  128.192  4745.27  161.756   71.401   0.9249   69.900   1.1921 1.501198 1.508822 
1 1 1   -6   34   12 f   73.892   0.7863  5321.00  109.612  5382.49  139.889  5223.20  176.420   74.452   0.9679   73.331   1.2393 1.120491 1.572537 
1 1 1   -6   34   13 o   26.239   0.7537  670.275   38.072  655.032   57.314  682.313   50.934   25.970   1.1369   26.507   0.9899 -0.5373421 1.507435 
1 1 1   -6   34   14 o   41.532   0.6888  1664.54   55.292  1787.29   82.989  1566.54   74.146   42.899   0.9966   40.164   0.9510 2.735481 1.377518 
1 1 1   -6   34   15 o   58.813   0.8028  3360.90   91.576  3334.43  131.889  3385.54  127.252   58.588   1.1597   59.038   1.1104 -0.4493294 1.605536 
1 1 1   -6   34   16 o   25.650   0.9131  633.626   45.008  677.618   69.619  602.037   58.995   26.406   1.3582   24.893   1.2209 1.513250 1.826249 
1 1 1   -6   34   17 o   37.669   0.8031  1372.90   57.737  1408.84   90.869  1348.56   74.769   38.078   1.2294   37.260   1.0337 0.8174171 1.606225 
1 1 1   -6   34   18 o  101.593   1.2747 10045.33  251.368 10069.45  357.922 10021.85  353.103  101.712   1.8128  101.474   1.7926 0.2375031 2.549439 
1 1 1   -6   34   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   34   20 o   82.647   1.0970  6643.86  175.831  6732.77  254.821  6563.05  242.931   83.170   1.5783   82.123   1.5239 1.047203 2.193943 
1 1 1   -6   34   21 o   62.928   0.8464  3835.27  101.695  3769.53  131.855  3931.77  159.769   62.274   1.0907   63.581   1.2945 -1.307060 1.692755 
1 1 1   -6   34   22 o   18.820   1.5133  350.734   54.439  411.631   75.932  286.327   78.090   20.537   1.9047   17.103   2.3520 3.433426 3.026542 
1 1 1   -6   34   23 o   30.021   1.0574  880.144   61.397  895.676   83.793  862.137   90.221   30.314   1.4240   29.728   1.5634 0.5858574 2.114717 
1 1 1   -6   34   24 o   23.606   1.2441  545.146   56.905  547.742   83.094  542.852   78.091   23.653   1.8097   23.559   1.7076 0.9470940E-01 2.488167 
1 1 1   -6   34   25 o   13.881   2.1564  203.547   59.077  111.547   85.275  288.454   81.921   10.695   3.5336   17.067   2.4727 -6.372295 4.312880 
1 1 1   -6   34   26 o   32.081   1.0315  1011.28   64.025  1099.81   90.236  921.525   90.858   33.514   1.3870   30.649   1.5272 2.865023 2.063028 
1 1 1   -6   34   27 f   29.947   1.1097  889.522   64.053  798.628   92.724  972.486   88.587   28.441   1.6795   31.452   1.4510 -3.011028 2.219459 
1 1 1   -6   34   28 o   13.986   2.3307  213.160   63.035  161.684   89.558  263.698   88.738   12.205   3.5601   15.767   3.0091 -3.562057 4.661430 
1 1 1   -6   34   29 o   28.404   1.3026  803.898   71.665  770.386   97.513  843.255  105.677   27.777   1.8084   29.031   1.8752 -1.253578 2.605173 
1 1 1   -6   34   30 o   24.582   1.6390  609.365   76.406  671.928  124.101  571.173   96.962   25.464   2.5107   23.700   2.1076 1.763765 3.278023 
1 1 1   -6   35    1 o  155.164   1.2209 23440.60  334.967 23521.30  398.928 23247.70  616.769  155.641   1.3204  154.687   2.0540 0.9534760 2.441810 
1 1 1   -6   35    2 o   82.459   1.0255  6601.42  164.121  6685.56  234.531  6520.67  229.746   82.974   1.4561   81.945   1.4443 1.029297 2.050932 
1 1 1   -6   35    3 o  107.887   1.0415 11337.95  208.645 11423.50  260.138 11183.67  349.343  108.468   1.2355  107.307   1.6771 1.161423 2.083052 
1 1 1   -6   35    4 o  217.212   1.7889 46006.27  691.808 46219.23  828.367 45515.30  1257.77  218.115   1.9565  216.308   2.9955 1.806793 3.577786 
1 1 1   -6   35    5 o   68.766   1.8902  4593.05  116.368  4592.36  119.793  4604.62  490.125   68.779   0.8973   68.754   3.6724 0.2500916E-01 3.780391 
1 1 1   -6   35    6 o  100.740   1.8219 10086.63  223.319 10149.87  237.173  9592.28  663.120  102.240   1.1950   99.240   3.4422 2.999962 3.643767 
1 1 1   -6   35    7 o   76.329   1.9189  5755.44  140.879  5768.81  145.844  5569.06  544.560   77.083   0.9747   75.575   3.7120 1.508102 3.837810 
1 1 1   -6   35    8 o   97.982   1.9326  9644.42  218.216  9719.93  230.210  8975.86  684.999  100.046   1.1854   95.919   3.6789 4.126297 3.865165 
1 1 1   -6   35    9 o   26.280   0.6206  664.815   31.277  635.850   40.792  706.134   48.720   25.592   0.8211   26.968   0.9307 -1.376244 1.241127 
1 1 1   -6   35   10 o  118.551   1.1049 13705.74  245.624 13853.56  310.507 13458.59  401.503  119.425   1.3394  117.677   1.7576 1.747711 2.209825 
1 1 1   -6   35   11 o   53.237   0.8006  2733.81   80.433  2830.87  131.041  2675.14  101.883   53.986   1.2504   52.487   1.0000 1.498859 1.601102 
1 1 1   -6   35   12 o   52.448   0.6418  2676.01   64.144  2697.95   83.315  2644.07  100.513   52.714   0.8142   52.181   0.9923 0.5331917 1.283575 
1 1 1   -6   35   13 o   68.997   0.8584  4625.89  114.935  4550.29  163.750  4699.29  161.360   68.441   1.2325   69.554   1.1951 -1.113297 1.716818 
1 1 1   -6   35   14 o   37.700   0.7026  1378.07   51.222  1405.53   76.140  1355.38   69.229   38.042   1.0311   37.359   0.9546 0.6831284 1.405133 
1 1 1   -6   35   15 o   62.901   0.8397  3835.20  102.188  3944.28  151.640  3744.45  138.309   63.717   1.2260   62.086   1.1476 1.631256 1.679315 
1 1 1   -6   35   16 o   26.069   0.9231  663.260   46.026  643.101   70.900  677.943   60.510   25.722   1.4199   26.416   1.1800 -0.6934528 1.846273 
1 1 1   -6   35   17 o   88.842   1.1363  7671.09  195.834  7819.88  282.975  7534.33  271.296   89.666   1.6257   88.018   1.5878 1.648109 2.272502 
1 1 1   -6   35   18 f   52.643   0.8313  2700.94   84.697  2553.74  122.347  2836.40  117.368   51.258   1.2296   54.027   1.1191 -2.768898 1.662629 
1 1 1   -6   35   19 o   65.957   0.9287  4221.32  118.651  4357.14  174.559  4104.68  161.766   66.938   1.3434   64.975   1.2825 1.962769 1.857319 
1 1 1   -6   35   20 f   57.112   0.9035  3170.32   99.965  3193.46  146.274  3150.03  136.933   57.305   1.3150   56.920   1.2393 0.3848076 1.806922 
1 1 1   -6   35   21 o   24.409   1.1766  580.361   55.743  588.845   78.982  571.941   78.685   24.587   1.6549   24.230   1.6729 0.3564205 2.353110 
1 1 1   -6   35   22 o   52.395   0.8304  2678.04   83.761  2729.25  112.091  2613.29  126.043   52.972   1.0901   51.817   1.2531 1.155037 1.660876 
1 1 1   -6   35   23 o   21.371   1.4249  447.772   59.037  423.017   83.641  472.349   83.342   20.776   2.0739   21.966   1.9546 -1.189857 2.849844 
1 1 1   -6   35   24 o   7.2735   2.1655  -2.0866   53.945   41.181   77.521 -42.7113   75.116   8.2981   3.2704   6.2488   2.8394 2.049281 4.331035 
1 1 1   -6   35   25 o   38.695   0.9224  1461.71   69.250  1445.37   96.109  1479.36   99.867   38.474   1.2869   38.917   1.3220 -0.4432297 1.844877 
1 1 1   -6   35   26 o   19.297   1.5608  372.337   58.020  351.404   86.007  389.818   78.598   18.763   2.3614   19.831   2.0417 -1.068171 3.121626 
1 1 1   -6   35   27 o   24.506   1.2809  593.251   60.800  617.607   89.601  572.465   82.774   24.961   1.8492   24.052   1.7729 0.9092484 2.561777 
1 1 1   -6   35   28 o   25.488   1.3230  648.861   65.270  598.154   92.772  698.562   91.847   24.470   1.9531   26.506   1.7851 -2.036215 2.645942 
1 1 1   -6   35   29 o   35.084   1.1110  1224.16   75.413  1252.48  103.330  1191.88  110.312   35.555   1.4971   34.613   1.6418 0.9420700 2.221928 
1 1 1   -6   35   30 o   26.829   1.5672  741.766   80.729  712.773  121.871  764.436  107.763   26.240   2.3926   27.418   2.0247 -1.178272 3.134320 
1 1 1   -6   36    1 o   89.898   0.9274  7845.37  152.837  7840.75  187.488  7854.54  263.876   89.865   1.0748   89.930   1.5116 -0.6496429E-01 1.854720 
1 1 1   -6   36    2 o   35.069   0.7894  1179.19   48.418  1160.34   56.965  1228.26   91.905   34.573   0.8488   35.565   1.3312 -0.9922829 1.578811 
1 1 1   -6   36    3 o   65.437   0.7844  4180.28   93.545  4224.44  114.408  4091.22  162.482   65.966   0.8935   64.909   1.2895 1.056526 1.568818 
1 1 1   -6   36    4 o   77.804   1.9437  5979.81  145.912  5993.94  151.091  5784.38  562.107   78.573   0.9906   77.034   3.7590 1.538742 3.887313 
1 1 1   -6   36    5 o   83.830   1.9727  7124.99  168.043  7177.01  174.972  6506.85  603.106   85.976   1.0484   81.684   3.8036 4.291756 3.945418 
1 1 1   -6   36    6 o   92.811   2.0763  9107.00  208.492  9268.52  219.015  7546.35  680.794   97.697   1.1548   87.924   3.9888 9.773170 4.152607 
1 1 1   -6   36    7 o   95.457   2.3601  9273.55  214.759  9334.15  222.438  8441.04  824.487   98.040   1.1688   92.874   4.5732 5.165695 4.720233 
1 1 1   -6   36    8 o  106.283   1.9211 11390.81  248.973 11507.85  264.794 10498.15  731.257  108.852   1.2532  103.714   3.6322 5.138062 3.842290 
1 1 1   -6   36    9 o   41.354   3.0419  1925.67   61.892  1935.43   62.496  1428.12  446.278   44.650   0.7211   38.058   6.0408 6.592300 6.083719 
1 1 1   -6   36   10 o  127.297   1.1731 15706.95  279.435 15593.62  350.618 15904.26  462.633  126.691   1.4257  127.903   1.8633 -1.211960 2.346185 
1 1 1   -6   36   11 o  100.621   0.9809  9878.80  187.527 10051.65  242.746  9622.96  295.325  101.728   1.2293   99.515   1.5288 2.213005 1.961702 
1 1 1   -6   36   12 o  115.372   1.0739 12973.74  235.753 13133.83  305.648 12738.61  370.422  116.268   1.3542  114.476   1.6669 1.792381 2.147708 
1 1 1   -6   36   13 o   8.6740   1.7121   71.875   31.113   42.405   42.083  107.401   46.205   7.0505   2.4794   10.298   2.3618 -3.247031 3.424218 
1 1 1   -6   36   14 o   29.924   0.7669  868.195   44.345  885.839   66.250  853.872   59.688   30.198   1.1301   29.650   1.0370 0.5480042 1.533841 
1 1 1   -6   36   15 o   27.814   6.7659  804.143  361.805   0.0000   0.0000  804.143  361.805  ?   ?    27.814   6.7659      ?      ? 
1 1 1   -6   36   16 o   60.225   0.8567  3526.77  100.085  3429.90  142.912  3620.01  140.210   59.412   1.2392   61.039   1.1833 -1.627430 1.713422 
1 1 1   -6   36   17 o   18.531   1.3812  338.319   48.360  316.312   76.443  353.004   62.444   18.015   2.1860   19.047   1.6889 -1.032301 2.762400 
1 1 1   -6   36   18 o   68.127   0.9345  4505.23  123.397  4630.40  180.425  4395.22  169.141   69.012   1.3468   67.241   1.2958 1.771194 1.868979 
1 1 1   -6   36   19 o   36.718   0.8923  1284.96   62.250  1434.20  100.909  1193.27   79.094   38.401   1.3537   35.036   1.1629 3.364117 1.784654 
1 1 1   -6   36   20 o   66.770   0.9581  4330.17  123.868  4424.76  182.593  4249.53  168.595   67.440   1.3948   66.099   1.3140 1.340126 1.916213 
1 1 1   -6   36   21 o   15.235   1.8734  236.379   53.042  285.353   73.475  183.082   76.650   17.085   2.2155   13.385   3.0216 3.699712 3.746814 
1 1 1   -6   36   22 o   10.240   2.3474  100.366   53.974   77.931   77.067  121.963   75.616   9.4642   3.3524   11.016   3.2867 -1.551774 4.694782 
1 1 1   -6   36   23 o   19.063   1.5248  350.631   55.877  425.730   85.221  294.000   74.005   20.828   2.1079   17.299   2.2038 3.528542 3.049550 
1 1 1   -6   36   24 o   8.5017   2.2717   38.072   55.114  100.191   80.285 -17.2893   75.793   10.230   3.4302   6.7736   2.9793 3.456042 4.543390 
1 1 1   -6   36   25 o   14.768   2.1069  226.673   58.316  226.372   82.263  226.977   82.680   14.760   2.9740   14.777   2.9852 -0.1700497E-01 4.213768 
1 1 1   -6   36   26 o   34.804   0.9694  1178.88   65.240  1313.48   97.349  1069.13   87.900   36.594   1.3704   33.015   1.3716 3.579037 1.938898 
1 1 1   -6   36   27 o   18.882   1.7018  360.014   62.152  343.580   90.397  374.749   85.591   18.438   2.5257   19.327   2.2815 -0.8888531 3.403551 
1 1 1   -6   36   28 o   18.028   2.0119  348.425   65.392  221.461   91.307  482.118   93.696   14.205   3.3634   21.852   2.2088 -7.647866 4.023830 
1 1 1   -6   36   29 f   33.586   1.1567  1122.98   75.345  1057.90  105.143  1191.67  108.024   32.572   1.6629   34.600   1.6083 -2.027885 2.313437 
1 1 1   -6   36   30 o   17.459   2.4305  355.086   77.605  293.081  124.980  393.996   99.004   15.574   4.0838   19.344   2.6366 -3.770473 4.860995 
1 1 1   -6   37    1 o  102.859   1.0326 10286.75  195.541 10309.55  241.106 10242.93  334.244  103.037   1.2054  102.680   1.6769 0.3572311 2.065224 
1 1 1   -6   37    2 f  163.818   1.3336 26036.60  410.992 25907.99  519.955 26250.76  670.964  163.305   1.6402  164.333   2.1033 -1.027817 2.667279 
1 1 1   -6   37    3 o   81.017   0.8935  6364.83  131.475  6347.53  159.751  6401.16  231.451   80.855   1.0178   81.179   1.4688 -0.3247452 1.786952 
1 1 1   -6   37    4 o   56.458   2.6343  3671.35  100.494  3715.49  102.462  2555.12  515.241   61.863   0.8532   51.053   5.1991 10.81030 5.268620 
1 1 1   -6   37    5 o   33.593   4.1638  1111.25  263.925  942.077  351.549  1329.75  399.531   30.398   6.1685   36.789   5.5946 -6.390705 8.327634 
1 1 1   -6   37    6 f  132.997   1.8825 17772.81  355.953 18045.36  389.892 16408.59  872.290  136.292   1.4737  129.702   3.4646 6.590195 3.764972 
1 1 1   -6   37    7 o   88.411   2.0486  7951.37  186.389  8014.90  194.335  7221.69  658.587   90.849   1.1020   85.974   3.9462 4.874756 4.097186 
1 1 1   -6   37    8 o  107.785   1.9550 11552.60  256.238 11621.99  272.109 11009.31  761.424  109.387   1.2815  106.183   3.6941 3.203789 3.910041 
1 1 1   -6   37    9 o   49.594   2.6545  2584.79   78.209  2594.62   79.251  2218.19  484.010   51.696   0.7897   47.493   5.2500 4.202766 5.309077 
1 1 1   -6   37   10 o   30.964   4.5063  1013.30  264.319  1303.82  357.075  661.154  393.129   36.425   5.0501   25.502   7.4648 10.92257 9.012570 
1 1 1   -6   37   11 o   74.865   0.7960  5471.21  112.544  5566.83  144.113  5321.72  180.186   75.714   0.9805   74.016   1.2541 1.697784 1.591920 
1 1 1   -6   37   12 o   50.534   0.6456  2488.47   62.218  2527.71   81.125  2432.41   96.956   51.022   0.8191   50.046   0.9980 0.9760284 1.291104 
1 1 1   -6   37   13 o   40.752   0.6341  1602.27   49.699  1540.21   65.442  1686.82   76.389   39.827   0.8465   41.677   0.9442 -1.850170 1.268102 
1 1 1   -6   37   14 o   60.280   0.8247  3531.44   96.288  3507.01  140.625  3553.00  132.117   60.081   1.2058   60.478   1.1254 -0.3964539 1.649330 
1 1 1   -6   37   15 o  106.733   1.3258 11083.60  274.653 11177.99  392.083 10992.66  384.855  107.177   1.8846  106.288   1.8653 0.8894272 2.651581 
1 1 1   -6   37   16 o   47.068   0.7887  2161.66   71.735  2021.88  104.312  2287.08   98.810   45.616   1.1780   48.521   1.0491 -2.905094 1.577427 
1 1 1   -6   37   17 o   24.641   1.0685  575.789   50.377  681.837   79.914  505.853   64.896   26.475   1.5550   22.806   1.4659 3.668255 2.136993 
1 1 1   -6   37   18 o   44.612   0.8613  1936.72   74.242  1914.04  110.107  1955.63  100.533   44.369   1.2784   44.856   1.1546 -0.4867172 1.722613 
1 1 1   -6   37   19 o   13.184   2.0941  166.451   52.446  252.766   83.729  110.720   67.279   15.834   2.8278   10.534   3.0895 5.300686 4.188241 
1 1 1   -6   37   20 o  104.916   1.3281 10733.35  270.459 10615.66  382.785 10850.67  382.191  104.338   1.8899  105.493   1.8663 -1.154671 2.656135 
1 1 1   -6   37   21 f   39.918   0.9530  1555.69   73.290  1514.22  109.807  1589.00   98.420   39.429   1.4347   40.407   1.2548 -0.9785538 1.905970 
1 1 1   -6   37   22 f   55.481   0.8176  3014.59   87.369  3177.52  118.487  2820.45  129.343   57.146   1.0681   53.816   1.2381 3.329567 1.635194 
1 1 1   -6   37   23 o   47.039   0.8229  2160.05   74.989  2282.26  105.016  2032.91  107.115   48.406   1.1176   45.672   1.2082 2.734386 1.645829 
1 1 1   -6   37   24 o   12.317   2.4251  154.692   58.292  168.958   97.848  146.843   72.576   12.747   3.7221   11.886   3.1097 0.8610373 4.850184 
1 1 1   -6   37   25 o   7.6053   2.2535   9.3484   57.402 -26.3256   82.250   43.223   80.149   6.8445   3.0519   8.3662   3.3164 -1.521753 4.506975 
1 1 1   -6   37   26 f   10.158   2.4318  102.743   56.582  101.227   87.878  103.816   73.950   10.219   3.5835   10.097   3.2885 0.1226740 4.863658 
1 1 1   -6   37   27 o   28.331   1.2065  812.253   64.724  631.788   93.793  976.318   89.429   25.185   1.9185   31.477   1.4636 -6.291346 2.413023 
1 1 1   -6   37   28 o   39.475   1.0111  1545.31   77.174  1655.01  107.376  1428.10  110.996   40.967   1.3502   37.983   1.5054 2.984444 2.022225 
1 1 1   -6   37   29 o   25.736   1.6542  689.908   79.720  637.870  127.720  723.122  102.037   24.720   2.6616   26.751   1.9650 -2.030539 3.308338 
1 1 1   -6   38    1 o  118.569   1.1322 13713.07  249.375 13847.64  311.283 13471.95  416.661  119.402   1.3430  117.736   1.8231 1.666786 2.264366 
1 1 1   -6   38    2 f   27.804   0.9201  737.946   43.380  724.798   50.101  777.330   86.713   27.322   0.9446   28.286   1.5792 -0.9636631 1.840209 
1 1 1   -6   38    3 o   47.588   0.7337  2215.67   61.584  2239.48   73.349  2158.81  113.371   48.029   0.7867   47.147   1.2388 0.8817520 1.467468 
1 1 1   -6   38    4 o   56.484   2.9975  3110.31  326.575  3038.50  435.673  3202.40  493.384   55.763   4.0249   57.205   4.4431 -1.442039 5.995068 
1 1 1   -6   38    5 o  118.781   1.8392 14023.66  297.425 14144.18  322.152 13327.76  774.117  120.669   1.3753  116.893   3.4116 3.776260 3.678339 
1 1 1   -6   38    6 o   74.347   2.1385  5849.39  145.454  5916.92  150.427  4878.47  570.393   78.062   0.9927   70.631   4.1602 7.430084 4.276969 
1 1 1   -6   38    7 o   26.881   3.4400  537.094   41.638  532.405   41.875  947.644  391.836   23.416   0.9212   30.346   6.8180 -6.930149 6.879969 
1 1 1   -6   38    8 o   73.694   2.3008  5706.04  143.442  5754.94  147.521  4858.25  614.229   76.984   0.9872   70.404   4.4944 6.580055 4.601508 
1 1 1   -6   38    9 o   91.199   2.0774  8248.78  193.807  8274.44  201.704  7940.20  699.446   92.303   1.1257   90.095   3.9993 2.207909 4.154743 
1 1 1   -6   38   10 o  134.556   1.2470 17537.62  314.783 17353.33  396.110 17853.45  518.569  133.629   1.5270  135.484   1.9718 -1.854996 2.493927 
1 1 1   -6   38   11 o   53.554   0.6494  2760.02   65.772  2678.48   83.454  2893.71  106.857   52.522   0.8185   54.585   1.0085 -2.063759 1.298853 
1 1 1   -6   38   12 o   38.445   0.6167  1425.58   45.364  1380.80   58.926  1490.73   71.076   37.710   0.8050   39.180   0.9345 -1.469662 1.233430 
1 1 1   -6   38   13 o   32.431   0.8309  1024.98   50.569  1009.07   82.558  1034.54   63.975   32.225   1.3198   32.637   1.0098 -0.4118233 1.661769 
1 1 1   -6   38   14 o   58.480   0.8246  3323.90   93.490  3293.68  135.329  3351.49  129.306   58.224   1.1974   58.736   1.1341 -0.5118103 1.649190 
1 1 1   -6   38   15 o   26.137   0.9109  662.924   45.840  671.648   69.612  656.245   60.912   26.287   1.3642   25.988   1.2074 0.2990913 1.821805 
1 1 1   -6   38   16 o   30.313   0.9081  908.481   52.503  779.728   78.149  1014.40   70.881   28.317   1.4217   32.310   1.1301 -3.992380 1.816170 
1 1 1   -6   38   17 o   44.494   0.8081  1914.60   69.231  1994.27  105.708  1854.75   91.614   45.298   1.2022   43.690   1.0802 1.607529 1.616191 
1 1 1   -6   38   18 o   16.105   1.7538  268.943   50.668  212.242   79.929  307.036   65.514   14.460   2.9475   17.750   1.9014 -3.289560 3.507540 
1 1 1   -6   38   19 o   77.405   1.0335  5825.23  155.127  5937.62  225.479  5724.21  213.756   78.109   1.4871   76.700   1.4357 1.409561 2.067036 
1 1 1   -6   38   20 o   30.856   1.0734  942.321   62.485  857.136   98.329  1000.02   80.927   29.654   1.7082   32.059   1.3004 -2.405138 2.146844 
1 1 1   -6   38   21 o   21.880   1.4170  478.426   58.119  425.201   92.221  513.494   74.856   20.823   2.2815   22.937   1.6812 -2.113890 2.834069 
1 1 1   -6   38   22 o   28.559   1.0585  795.582   58.636  752.884   82.017  840.221   83.861   27.773   1.5213   29.345   1.4722 -1.571932 2.117003 
1 1 1   -6   38   23 o   25.685   1.1505  645.743   57.345  630.537   81.322  660.781   80.876   25.381   1.6506   25.989   1.6031 -0.6077538 2.300951 
1 1 1   -6   38   24 o   53.328   0.8534  2785.57   87.943  2900.53  120.372  2653.96  128.794   54.529   1.1372   52.127   1.2728 2.402275 1.706830 
1 1 1   -6   38   25 o   19.507   1.8098  394.623   64.995  336.359  105.566  430.193   82.482   18.190   2.9897   20.824   2.0404 -2.634535 3.619633 
1 1 1   -6   38   26 o   19.145   1.6152  371.957   58.918  338.127   89.773  397.556   78.090   18.303   2.5267   19.987   2.0127 -1.684130 3.230394 
1 1 1   -6   38   27 o   16.985   1.8961  293.312   62.182  318.379   94.023  273.824   82.901   17.601   2.7519   16.369   2.6090 1.231812 3.792127 
1 1 1   -6   38   28 o   9.9997   2.5481   90.021   68.037  154.219   94.428   20.709   98.117   11.782   3.7038   8.2175   3.5005 3.564439 5.096249 
1 1 1   -6   38   29 o   14.795   2.7290  247.575   78.787  329.033  124.901  193.743  101.535   16.723   3.9165   12.868   3.8014 3.854205 5.457963 
1 1 1   -6   39    1 f   74.251   0.8423  5320.71  112.212  5267.31  134.673  5441.94  202.936   73.654   0.9419   74.848   1.3967 -1.193947 1.684674 
1 1 1   -6   39    2 o  165.993   1.3466 26674.71  420.765 26341.04  531.885 27232.74  687.853  164.642   1.6642  167.344   2.1175 -2.702026 2.693209 
1 1 1   -6   39    3 o   29.467   1.0024  879.016   43.963  900.147   48.832  788.625  100.996   30.449   0.8262   28.484   1.8266 1.964912 2.004716 
1 1 1   -6   39    4 o  112.926   1.8649 12549.62  267.493 12593.68  285.749 12237.49  760.550  113.867   1.2928  111.984   3.4987 1.882759 3.729891 
1 1 1   -6   39    5 o   46.778   2.4275  2068.38   69.363  2064.86   70.236  2207.14  441.191   46.118   0.7846   47.438   4.7911 -1.320168 4.854934 
1 1 1   -6   39    6 o   99.897   1.9948 10286.03  233.393 10438.98  247.199  9030.26  708.293  103.670   1.2284   96.124   3.7959 7.545822 3.989697 
1 1 1   -6   39    7 o   41.137   2.7475  1608.67   57.408  1607.02   57.904  1703.26  439.659   40.685   0.7332   41.590   5.4459 -0.9043655 5.494988 
1 1 1   -6   39    8 f   37.532   3.8613  1908.00   66.007  1928.31   66.714  964.560  454.706   44.566   0.7712   30.498   7.6839 14.06781 7.722534 
1 1 1   -6   39    9 o   80.007   2.3598  6780.81  168.291  6853.42  173.721  5673.47  678.409   84.004   1.0653   76.010   4.5979 7.993752 4.719659 
1 1 1   -6   39   10 o   65.856   0.7399  4209.08   91.283  4200.06  114.848  4224.54  150.419   65.766   0.8996   65.946   1.1750 -0.1799850 1.479859 
1 1 1   -6   39   11 o   83.153   0.8924  6740.50  138.375  6801.03  173.521  6634.75  229.333   83.679   1.0682   82.627   1.4298 1.052383 1.784808 
1 1 1   -6   39   12 o   76.625   0.8429  5730.10  121.625  5814.11  154.877  5594.96  196.447   77.370   1.0312   75.880   1.3337 1.489784 1.685852 
1 1 1   -6   39   13 f   80.739   0.9014  6356.19  135.467  6412.77  169.480  6256.08  225.432   81.251   1.0745   80.226   1.4476 1.025200 1.802790 
1 1 1   -6   39   14 o   58.389   0.7180  3346.30   78.963  3464.83  101.189  3161.73  126.272   59.731   0.8727   57.047   1.1403 2.684025 1.435919 
1 1 1   -6   39   15 o   22.870   1.0465  499.702   46.042  583.939   70.986  438.530   60.492   24.504   1.4923   21.236   1.4674 3.268343 2.092937 
1 1 1   -6   39   16 o   75.472   0.9993  5536.62  146.311  5593.76  211.044  5483.74  203.020   75.844   1.4335   75.099   1.3926 0.7456131 1.998564 
1 1 1   -6   39   17 o   41.729   0.8141  1693.20   65.835  1680.99   95.731  1704.15   90.684   41.584   1.1859   41.873   1.1157 -0.2891388 1.628232 
1 1 1   -6   39   18 o   41.125   0.8649  1641.90   68.397  1661.65  104.413  1627.06   90.522   41.336   1.3012   40.913   1.1398 0.4233665 1.729841 
1 1 1   -6   39   19 o   15.976   1.7146  244.973   52.546  280.481   82.421  220.658   68.205   16.929   2.5081   15.024   2.3387 1.905455 3.429250 
1 1 1   -6   39   20 o   79.066   1.0719  6092.00  164.441  6081.17  236.166  6102.19  229.105   78.993   1.5401   79.140   1.4913 -0.1464844 2.143859 
1 1 1   -6   39   21 f   30.675   1.0869  928.878   63.628  849.579   96.885  989.020   84.375   29.494   1.6922   31.857   1.3644 -2.363113 2.173759 
1 1 1   -6   39   22 o   12.097   2.1289  146.913   51.035  209.378   76.260   96.246   68.682   14.289   2.8492   9.9052   3.1639 4.384311 4.257735 
1 1 1   -6   39   23 o   17.763   1.6335  315.106   55.671  270.571   80.646  355.648   76.946   16.522   2.5145   19.004   2.0858 -2.481953 3.267016 
1 1 1   -6   39   24 o   14.901   2.0400  233.176   57.126  158.508   81.283  306.055   80.304   12.265   3.3289   17.537   2.3590 -5.271966 4.079972 
1 1 1   -6   39   25 o   8.2523   2.3537   38.004   57.758   44.326   86.997   33.021   77.236   8.5701   3.4360   7.9346   3.2176 0.6355543 4.707333 
1 1 1   -6   39   26 o   20.640   1.7343  417.752   66.167  471.427  114.983  391.178   80.905   21.498   2.7554   19.783   2.1068 1.714645 3.468520 
1 1 1   -6   39   27 o   35.219   1.0745  1226.21   73.407  1252.91  106.210  1201.79  101.572   35.578   1.5379   34.860   1.5010 0.7172775 2.148957 
1 1 1   -6   39   28 o   11.364   2.6638  142.308   68.715  157.819   97.821  127.198   96.546   11.849   3.7749   10.879   3.7593 0.9704981 5.327521 
1 1 1   -6   39   29 o   8.7096   2.5266 -27.2593   73.731  161.408  125.113 -127.6460   91.263   11.816   4.2620   5.6034   2.7148 6.212529 5.053149 
1 1 1   -6   40    1 o  141.535   1.2429 19418.93  328.266 19282.75  410.365 19660.94  547.031  140.876   1.5006  142.195   1.9818 -1.318710 2.485848 
1 1 1   -6   40    2 o   26.972   0.9360  691.702   43.286  675.439   50.231  738.622   85.319   26.374   0.9811   27.570   1.5942 -1.195686 1.871947 
1 1 1   -6   40    3 o  118.060   1.1465 13461.60  253.237 13237.76  316.970 13856.59  421.062  116.731   1.3988  119.390   1.8168 -2.658798 2.292947 
1 1 1   -6   40    4 o   26.275   3.8466  552.696   47.428  549.012   47.716  855.516  432.597   23.777   1.0338   28.772   7.6234 -4.995090 7.693165 
1 1 1   -6   40    5 o   46.075   2.6288  2343.53   75.569  2360.52   76.751  1805.11  432.126   49.308   0.8019   42.843   5.1960 6.465454 5.257521 
1 1 1   -6   40    6 o   52.654   2.3847  2550.21   76.917  2542.13   77.865  2875.75  494.409   51.170   0.7839   54.139   4.7045 -2.968719 4.769353 
1 1 1   -6   40    7 o  110.339   1.9433 12276.42  268.816 12410.36  287.138 11326.24  764.782  113.027   1.3087  107.652   3.6597 5.374985 3.886700 
1 1 1   -6   40    8 o   29.093   3.8771  1318.58   53.975  1335.12   54.444  370.231  412.251   37.083   0.7563   21.103   7.7173 15.97915 7.754242 
1 1 1   -6   40    9 o   28.065   3.5303  622.620   44.945  618.153   45.217  990.190  410.132   25.230   0.9232   30.899   6.9999 -5.669298 7.060536 
1 1 1   -6   40   10 o   85.931   0.8992  7119.87  143.854  6986.86  178.791  7364.06  242.247   84.813   1.0860   87.049   1.4336 -2.235725 1.798484 
1 1 1   -6   40   11 o   32.447   0.6603  1028.12   41.060  1061.32   54.416  984.215   62.568   33.060   0.8479   31.833   1.0125 1.226776 1.320672 
1 1 1   -6   40   12 o   71.898   0.8212  5060.39  110.044  5164.01  138.327  4881.77  181.618   72.918   0.9773   70.878   1.3200 2.040001 1.642415 
1 1 1   -6   40   13 o   50.475   0.6672  2463.50   63.496  2429.24   80.444  2520.14  103.415   50.016   0.8286   50.935   1.0459 -0.9194069 1.334343 
1 1 1   -6   40   14 o   62.396   0.7642  3794.77   90.030  3836.62  115.026  3728.58  144.647   62.849   0.9428   61.943   1.2030 0.9055786 1.528410 
1 1 1   -6   40   15 o   50.083   0.8073  2442.67   78.210  2368.40  114.514  2507.60  107.071   49.365   1.1950   50.801   1.0858 -1.435871 1.614605 
1 1 1   -6   40   16 f   52.972   0.8390  2731.01   86.015  2678.07  125.956  2777.27  117.744   52.487   1.2362   53.457   1.1347 -0.9699287 1.678024 
1 1 1   -6   40   17 o   72.111   0.9834  5058.69  137.588  5030.75  197.443  5085.07  191.835   71.914   1.4144   72.307   1.3667 -0.3925171 1.966820 
1 1 1   -6   40   18 o   43.176   0.8329  1812.97   69.647  1805.68  101.899  1819.36   95.413   43.092   1.2182   43.261   1.1362 -0.1681633 1.665785 
1 1 1   -6   40   19 o   19.177   1.4591  355.447   53.939  390.892   82.407  328.878   71.347   20.001   2.1225   18.352   2.0027 1.648212 2.918213 
1 1 1   -6   40   20 o   11.819   2.3298  147.457   57.539   86.338   91.433  187.532   74.038   10.102   3.6435   13.536   2.9047 -3.433269 4.659686 
1 1 1   -6   40   21 o   9.0155   2.2541   58.801   56.172 -32.2975   87.931  121.609   73.012   7.0757   3.1553   10.955   3.2199 -3.879613 4.508157 
1 1 1   -6   40   22 o   15.207   1.8424  240.633   51.453  186.686   77.154  283.842   69.050   13.427   3.0319   16.987   2.0940 -3.560307 3.684755 
1 1 1   -6   40   23 o   13.655   2.0624  194.648   53.711  156.536   80.339  225.450   72.225   12.241   3.3041   15.069   2.4691 -2.828110 4.124792 
1 1 1   -6   40   24 o   36.063   0.9470  1272.44   66.257  1324.54   95.571  1224.23   91.939   36.773   1.3388   35.353   1.3397 1.419937 1.894006 
1 1 1   -6   40   25 o   7.1587   2.1887  -7.9254   57.547 -53.6568   86.183   28.871   77.307   6.5005   2.9867   7.8168   3.2003 -1.316302 4.377445 
1 1 1   -6   40   26 o   35.508   1.0688  1243.34   73.638  1288.58  105.942  1201.06  102.425   36.132   1.5105   34.883   1.5126 1.249573 2.137642 
1 1 1   -6   40   27 o   19.182   2.1350  394.390   73.392  375.657  122.508  404.877   91.661   18.434   3.5524   19.930   2.3693 -1.495789 4.270072 
1 1 1   -6   40   28 o   14.231   2.6716  238.044   73.313  217.540  125.669  248.623   90.265   13.494   4.2765   14.968   3.2035 -1.473659 5.343279 
1 1 1   -6   41    1 o  152.252   1.3351 22548.38  381.198 22578.19  480.778 22497.92  625.547  152.422   1.6249  152.082   2.1189 0.3398743 2.670256 
1 1 1   -6   41    2 o   27.069   1.0380  681.582   44.495  660.786   49.735  764.961   99.587   26.086   0.9822   28.051   1.8289 -1.964737 2.075938 
1 1 1   -6   41    3 o   42.306   0.7880  1710.70   56.957  1681.18   66.057  1796.24  112.450   41.612   0.8178   43.000   1.3472 -1.388226 1.575959 
1 1 1   -6   41    4 o   80.248   2.2005  6600.34  161.855  6645.71  167.196  5924.13  645.550   82.725   1.0412   77.771   4.2761 4.953621 4.401018 
1 1 1   -6   41    5 o  107.469   1.9345 11620.14  254.280 11730.00  270.506 10785.95  745.401  109.888   1.2681  105.050   3.6553 4.837166 3.869059 
1 1 1   -6   41    6 o   55.666   2.5627  3138.98   91.057  3145.67   92.410  2915.41  534.120   56.918   0.8364   54.413   5.0568 2.505634 5.125463 
1 1 1   -6   41    7 f   30.769   3.5420  1095.86   51.812  1101.34   52.298  805.115  380.789   33.679   0.7999   27.859   7.0388 5.820417 7.084086 
1 1 1   -6   41    8 o   19.302   3.7826  281.892   42.450  279.984   42.718  432.301  379.363   16.976   1.2964   21.628   7.4532 -4.652548 7.565110 
1 1 1   -6   41    9 o   50.395   2.9510  2665.61   82.414  2673.74   83.361  2314.15  548.205   52.475   0.8184   48.316   5.8451 4.159031 5.902070 
1 1 1   -6   41   10 o  135.689   2.6110 18848.94  438.291 19109.37  467.700 16971.33  1255.82  140.180   1.7188  131.197   4.9310 8.983810 5.221997 
1 1 1   -6   41   11 o   70.043   0.8040  4771.40  104.588  4784.57  130.282  4747.52  175.402   70.189   0.9562   69.898   1.2927 0.2905960 1.607938 
1 1 1   -6   41   12 o   71.091   0.9887  4920.46  135.450  4844.00  203.417  4981.36  181.553   70.588   1.4845   71.595   1.3063 -1.006989 1.977470 
1 1 1   -6   41   13 o   46.700   0.6736  2091.50   59.537  2003.86   75.466  2235.96   96.887   45.424   0.8559   47.976   1.0403 -2.551830 1.347145 
1 1 1   -6   41   14 o   68.651   0.8021  4544.35  102.411  4458.58  127.133  4702.88  172.836   67.747   0.9667   69.556   1.2801 -1.808495 1.604104 
1 1 1   -6   41   15 o   58.886   0.8639  3369.73   98.488  3379.83  144.771  3361.03  134.376   58.966   1.2648   58.807   1.1771 0.1582794 1.727817 
1 1 1   -6   41   16 o   27.607   1.0362  754.625   54.272  668.969   83.311  817.772   71.532   26.214   1.6372   29.000   1.2707 -2.786600 2.072466 
1 1 1   -6   41   17 f   68.057   0.9534  4504.68  125.878  4520.21  181.199  4490.19  175.001   68.168   1.3693   67.946   1.3268 0.2221375 1.906711 
1 1 1   -6   41   18 o   54.076   0.8907  2845.95   93.253  2822.29  136.652  2866.56  127.574   53.861   1.3070   54.291   1.2105 -0.4297142 1.781448 
1 1 1   -6   41   19 o   23.333   1.3608  544.932   60.000  458.160   91.255  611.007   79.632   21.635   2.1728   25.030   1.6389 -3.394798 2.721628 
1 1 1   -6   41   20 o   98.455   1.2678  9471.40  242.199  9590.21  348.651  9360.60  336.702   99.044   1.8134   97.867   1.7723 1.177071 2.535679 
1 1 1   -6   41   21 o   36.942   0.9655  1337.69   67.539  1301.99  107.353  1361.08   86.889   36.510   1.5147   37.374   1.1977 -0.8634949 1.931008 
1 1 1   -6   41   22 o   10.928   2.2569  117.817   51.943  163.640   77.618   80.649   69.905   12.537   3.1834   9.3189   3.2001 3.218473 4.513840 
1 1 1   -6   41   23 o   17.711   1.5064  303.401   51.180  371.987   79.412  254.673   66.935   19.387   2.1102   16.035   2.1504 3.351692 3.012787 
1 1 1   -6   41   24 o   13.885   2.1498  206.911   56.262  174.427   83.642  233.755   76.034   12.768   3.3374   15.001   2.7109 -2.232717 4.299628 
1 1 1   -6   41   25 o   13.601   2.2993  198.432   59.601  201.096   89.637  196.322   79.796   13.640   3.3979   13.563   3.0987 0.7723141E-01 4.598680 
1 1 1   -6   41   26 o   41.428   0.9560  1690.22   76.822  1696.35  110.969  1684.58  106.456   41.488   1.3779   41.367   1.3257 0.1209641 1.912077 
1 1 1   -6   41   27 o   8.1231   2.4118   20.001   64.364   62.176   99.148 -10.7178   84.617   9.1641   3.6702   7.0821   3.1299 2.082031 4.823615 
1 1 1   -6   41   28 o   20.170   1.9714  423.421   74.696  463.914  124.043  400.382   93.563   20.722   3.0837   19.618   2.4568 1.103655 3.942734 
1 1 1   -6   42    1 o  123.065   1.1697 14735.88  266.132 14768.41  329.692 14675.05  450.871  123.288   1.3776  122.841   1.8908 0.4472046 2.339414 
1 1 1   -6   42    2 o   48.406   0.7647  2266.47   65.529  2253.36   77.924  2298.14  121.092   48.174   0.8333   48.638   1.2826 -0.4633904 1.529488 
1 1 1   -6   42    3 o  147.599   1.9525 21658.84  423.407 21890.27  467.053 20591.29  1003.11  150.068   1.6033  145.130   3.5606 4.938248 3.904933 
1 1 1   -6   42    4 o   33.765   3.7328  1071.83   54.178  1069.88   54.526  1223.72  479.945   33.194   0.8462   34.336   7.4174 -1.142601 7.465510 
1 1 1   -6   42    5 o   22.135   3.7072  560.248   47.079  563.805   47.459  340.740  372.810   24.094   1.0147   20.175   7.3447 3.919165 7.414498 
1 1 1   -6   42    6 o   79.665   2.1832  6190.06  153.636  6189.37  158.043  6201.81  655.200   79.830   1.0199   79.500   4.2456 0.3299026 4.366374 
1 1 1   -6   42    7 o   68.898   2.2783  5006.19  129.097  5047.80  132.561  4240.94  568.441   72.096   0.9472   65.700   4.4571 6.396317 4.556656 
1 1 1   -6   42    8 o   15.128   3.6250  199.293   41.953  202.628   42.136 -182.5102  450.839   14.438   1.5034   15.818   7.0924 -1.379475 7.250027 
1 1 1   -6   42    9 f   51.633   3.7648  2795.98   86.682  2800.74   87.317  2472.35  719.883   53.705   0.8376   49.560   7.4828 4.145100 7.529513 
1 1 1   -6   42   10 o   60.260   0.8964  3526.44  104.854  3526.44  104.854   0.0000   0.0000   60.260   0.8964  ?   ?       ?      ? 
1 1 1   -6   42   11 o  101.117   1.0951 10003.50  205.020 10152.35  255.244  9732.85  344.184  102.211   1.2865  100.022   1.7727 2.189278 2.190285 
1 1 1   -6   42   12 o   73.296   0.8355  5189.86  113.223  5122.08  139.749  5319.33  193.157   72.616   0.9914   73.977   1.3451 -1.360344 1.670970 
1 1 1   -6   42   13 o  116.876   1.2539 13344.60  269.946 13450.42  333.577 13143.79  459.507  117.604   1.4612  116.147   2.0381 1.456528 2.507747 
1 1 1   -6   42   14 o   56.861   0.7353  3145.03   79.257  3158.94  101.799  3123.62  126.290   57.027   0.9196   56.695   1.1475 0.3321190 1.470529 
1 1 1   -6   42   15 o   79.328   0.9035  6135.27  133.070  6175.08  165.863  6063.35  222.923   79.712   1.0719   78.945   1.4547 0.7672577 1.806954 
1 1 1   -6   42   16 o   88.452   1.1422  7582.02  195.537  8050.89  290.451  7193.37  264.439   90.936   1.6454   85.967   1.5846 4.969719 2.284377 
1 1 1   -6   42   17 o   7.7029   2.0103   14.020   48.866 -88.1405   72.905   97.356   65.847   5.4358   2.5771   9.9701   3.0862 -4.534225 4.020666 
1 1 1   -6   42   18 o   49.276   0.8872  2342.69   84.181  2513.96  129.096  2215.98  111.036   50.824   1.3085   47.728   1.1985 3.096661 1.774410 
1 1 1   -6   42   19 o   23.528   1.3442  554.237   59.560  477.535   92.353  608.857   77.933   22.076   2.1551   24.980   1.6072 -2.903963 2.688436 
1 1 1   -6   42   20 f   22.503   1.3917  488.068   59.774  539.633   95.307  454.634   76.744   23.452   2.0935   21.553   1.8343 1.899181 2.783415 
1 1 1   -6   42   21 o   46.379   0.9067  2072.37   80.287  2237.30  127.450  1963.86  103.377   47.873   1.3715   44.885   1.1865 2.988163 1.813469 
1 1 1   -6   42   22 o   63.618   0.8545  3976.42  104.387  4160.30  139.767  3744.46  156.979   65.322   1.1023   61.915   1.3061 3.407242 1.709066 
1 1 1   -6   42   23 o   20.017   1.3887  394.293   53.774  422.421   80.213  371.333   72.470   20.654   2.0006   19.379   1.9265 1.275242 2.777380 
1 1 1   -6   42   24 o   14.352   2.0693  206.773   56.486  292.664   87.856  146.249   73.749   16.993   2.6634   11.711   3.1676 5.282002 4.138558 
1 1 1   -6   42   25 f   21.386   1.4384  456.814   59.680  465.974   86.098  448.343   82.799   21.586   2.0548   21.186   2.0133 0.3998337 2.876730 
1 1 1   -6   42   26 o   16.703   1.9613  295.254   60.257  279.324   95.318  305.859   77.767   16.052   3.1714   17.353   2.3086 -1.300756 3.922691 
1 1 1   -6   42   27 o   12.505   2.6880  173.470   67.793  196.541  119.672  162.567   82.266   12.970   4.1799   12.040   3.3809 0.9298906 5.376050 
1 1 1   -6   43    1 o   31.954   0.8968  1011.97   49.672  1037.69   58.727  947.320   93.105   32.689   0.9255   31.219   1.5363 1.470026 1.793570 
1 1 1   -6   43    2 o   94.577   1.0204  8647.64  175.126  8567.07  212.277  8819.34  309.877   93.912   1.1644   95.242   1.6761 -1.330597 2.040874 
1 1 1   -6   43    3 o   54.354   3.1379  3010.21   91.089  3014.78   92.027  2789.35  639.565   55.720   0.8508   52.987   6.2180 2.733177 6.275894 
1 1 1   -6   43    4 o   43.464   3.2307  1738.44   64.623  1735.07   65.064  1984.26  555.869   42.272   0.7929   44.655   6.4126 -2.382912 6.461435 
1 1 1   -6   43    5 o   26.645   3.7620  666.818   51.527  665.250   51.950  761.861  404.556   26.172   1.0226   27.118   7.4542 -0.9465904 7.524000 
1 1 1   -6   43    6 o   68.075   2.3998  4594.51  122.297  4600.00  124.787  4461.05  615.272   68.824   0.9340   67.326   4.7078 1.498672 4.799602 
1 1 1   -6   43    7 o   72.653   2.6182  5990.59  154.538  6087.92  158.971  4317.95  659.019   79.171   1.0344   66.136   5.1333 13.03538 5.236490 
1 1 1   -6   43    8 o   25.650   9.3269  580.363  600.935   0.0000   0.0000  580.363  600.935  ?   ?    25.650   9.3269      ?      ? 
1 1 1   -6   43    9 o   91.296   1.1646  8097.56  206.383  8097.56  206.383   0.0000   0.0000   91.296   1.1646  ?   ?       ?      ? 
1 1 1   -6   43   10 o   60.521   0.8799  3557.15  103.375  3557.15  103.375   0.0000   0.0000   60.521   0.8799  ?   ?       ?      ? 
1 1 1   -6   43   11 o   71.421   0.8201  4930.04  108.002  4873.30  132.948  5040.16  185.205   70.832   0.9669   72.010   1.3249 -1.178467 1.640230 
1 1 1   -6   43   12 o   33.408   0.7160  1085.40   45.772  1091.09   59.986  1077.46   70.819   33.515   0.9220   33.300   1.0956 0.2153587 1.431922 
1 1 1   -6   43   13 o   20.501   0.9909  408.978   39.189  411.490   52.650  405.856   58.682   20.574   1.3183   20.428   1.4798 0.1455841 1.981864 
1 1 1   -6   43   14 o   75.373   0.8632  5557.94  120.731  5644.58  150.742  5402.92  201.628   76.217   1.0189   74.530   1.3936 1.686470 1.726368 
1 1 1   -6   43   15 o   76.618   0.8904  5693.22  127.324  5655.31  159.218  5760.48  212.059   76.283   1.0752   76.953   1.4196 -0.6691437 1.780838 
1 1 1   -6   43   16 o   10.690   2.0949  117.635   51.725   13.683   82.353  185.361   66.472   7.8444   3.2660   13.535   2.6246 -5.690973 4.189892 
1 1 1   -6   43   17 o   9.5968   2.3187   84.099   52.585   53.542   83.600  104.104   67.642   8.9363   3.4313   10.257   3.1196 -1.321157 4.637441 
1 1 1   -6   43   18 o   66.657   0.9556  4318.33  123.283  4441.59  182.561  4215.01  167.153   67.522   1.3928   65.792   1.3088 1.730637 1.911267 
1 1 1   -6   43   19 o   41.272   0.9292  1662.22   73.577  1643.74  112.687  1675.96   97.142   41.059   1.4138   41.485   1.2063 -0.4261551 1.858498 
1 1 1   -6   43   20 o   40.943   0.9441  1644.41   74.014  1575.44  113.110  1696.05   97.877   40.169   1.4506   41.716   1.2087 -1.547089 1.888144 
1 1 1   -6   43   21 o   16.454   1.9444  285.564   56.400  237.924   94.524  311.901   70.283   15.105   3.3147   17.803   2.0338 -2.697658 3.888887 
1 1 1   -6   43   22 o   22.123   1.3383  494.904   55.900  383.214   81.773  592.886   76.591   19.671   2.1415   24.575   1.6055 -4.904230 2.676513 
1 1 1   -6   43   23 o   15.538   1.8218  242.504   53.479  276.359   82.348  217.812   70.328   16.567   2.5606   14.510   2.5920 2.057373 3.643544 
1 1 1   -6   43   24 o   20.404   1.4760  408.735   57.849  460.885   90.113  372.178   75.448   21.473   2.1618   19.334   2.0103 2.138964 2.952053 
1 1 1   -6   43   25 o   9.2436   2.4378   76.368   58.708   58.545   91.659   88.766   76.448   8.9738   3.5499   9.5134   3.3419 -0.5396700 4.875523 
1 1 1   -6   43   26 o   33.364   1.0681  1118.34   68.068  994.465  102.089  1217.49   91.331   31.604   1.6641   35.124   1.3395 -3.520796 2.136236 
1 1 1   -6   43   27 o   12.516   2.6130  186.866   68.179  142.531  117.382  209.438   83.755   11.360   4.1235   13.672   3.2105 -2.312871 5.225929 
1 1 1   -6   44    1 o   32.112   0.9898  992.612   52.043  984.571   59.250  1019.76  108.878   31.841   0.9586   32.383   1.7320 -0.5428944 1.979596 
1 1 1   -6   44    2 o   54.471   0.7791  2898.83   76.020  2926.18   91.564  2838.17  136.379   54.895   0.8593   54.047   1.2999 0.8480110 1.558238 
1 1 1   -6   44    3 o  105.206   2.3599 11467.42  263.422 11602.54  275.756 10057.51  890.759  109.276   1.3000  101.136   4.5372 8.139847 4.719750 
1 1 1   -6   44    4 f   21.112   3.7134  674.680   53.472  685.673   53.710 -559.2593  569.040   26.570   1.0414   15.654   7.3533 10.91560 7.426706 
1 1 1   -6   44    5 o   29.641   4.4113  981.736   56.005  984.259   56.322  759.761  528.272   31.836   0.9114   27.445   8.7755 4.390934 8.822696 
1 1 1   -6   44    6 f   54.922   2.6925  2990.06   92.480  2992.02   93.765  2920.13  560.528   55.508   0.8702   54.336   5.3143 1.171627 5.385040 
1 1 1   -6   44    7 o   76.148   3.0007  5516.30  144.858  5505.83  146.841  5896.22  884.440   75.291   1.0047   77.005   5.9168 -1.714066 6.001487 
1 1 1   -6   44    8 o   35.824   0.8565  1246.29   59.565  1246.29   59.565   0.0000   0.0000   35.824   0.8565  ?   ?       ?      ? 
1 1 1   -6   44    9 o   8.6980   2.6504   74.030   48.791   74.030   48.791   0.0000   0.0000   8.6980   2.6504  ?   ?       ?      ? 
1 1 1   -6   44   10 o   76.386   1.0340  5668.24  153.320  5668.24  153.320   0.0000   0.0000   76.386   1.0340  ?   ?       ?      ? 
1 1 1   -6   44   11 o   52.871   0.7038  2704.26   70.253  2667.75   89.200  2763.89  114.008   52.408   0.8768   53.333   1.1012 -0.9250145 1.407640 
1 1 1   -6   44   12 o   34.873   0.9793  1207.54   60.905  1117.73  108.458  1248.90   73.606   33.893   1.6485   35.853   1.0576 -1.960014 1.958603 
1 1 1   -6   44   13 o   32.643   0.7289  1033.18   45.412  1023.41   58.920  1047.49   71.275   32.456   0.9352   32.829   1.1184 -0.3730164 1.457889 
1 1 1   -6   44   14 o   42.522   0.7202  1763.41   58.435  1793.36   76.289  1720.89   90.896   42.965   0.9147   42.078   1.1128 0.8865166 1.440499 
1 1 1   -6   44   15 o   75.319   0.8730  5545.69  122.102  5619.24  152.501  5414.31  203.803   76.039   1.0332   74.599   1.4074 1.440842 1.745901 
1 1 1   -6   44   16 f   34.719   0.9377  1172.89   62.286  1172.07   96.597  1173.48   81.489   34.701   1.4340   34.736   1.2085 -0.3520584E-01 1.875346 
1 1 1   -6   44   17 o   17.039   1.8015  305.596   54.648  220.618   84.361  367.038   71.733   14.693   3.0573   19.385   1.9063 -4.691413 3.602905 
1 1 1   -6   44   18 o   53.360   0.8954  2777.44   92.529  2697.74  134.387  2849.28  127.589   52.623   1.3156   54.096   1.2150 -1.472488 1.790815 
1 1 1   -6   44   19 o   12.472   2.3497  163.583   57.047  140.019   94.837  176.943   71.411   11.828   3.7107   13.116   2.8834 -1.287636 4.699322 
1 1 1   -6   44   20 o   31.042   1.1036  969.111   64.024  828.014  100.967  1064.00   82.800   29.062   1.7898   33.023   1.2917 -3.961130 2.207172 
1 1 1   -6   44   21 o   34.492   1.0611  1187.06   67.765  1085.99  111.692  1245.94   85.247   33.259   1.7300   35.725   1.2293 -2.465904 2.122262 
1 1 1   -6   44   22 o   44.380   0.8357  1924.20   71.926  1902.62   99.347  1947.98  104.271   44.124   1.1599   44.636   1.2034 -0.5113220 1.671379 
1 1 1   -6   44   23 o   26.623   1.1060  703.050   55.973  674.122   87.550  723.047   72.794   26.113   1.7272   27.133   1.3821 -1.020201 2.212086 
1 1 1   -6   44   24 o   19.419   1.5454  383.435   56.618  354.322   89.248  403.043   73.243   18.709   2.4574   20.128   1.8746 -1.418758 3.090751 
1 1 1   -6   44   25 o   18.077   1.7104  326.290   59.302  405.212   90.950  267.922   78.215   19.966   2.3467   16.189   2.4889 3.776445 3.420730 
1 1 1   -6   44   26 o   13.452   2.3511  208.053   61.432  162.501   95.850  239.810   80.031   11.993   3.7253   14.910   2.8693 -2.916477 4.702161 
1 1 1   -6   44   27 o   16.749   2.3526  328.898   71.182  259.623  117.967  368.562   89.263   14.685   4.0206   18.813   2.4443 -4.127732 4.705287 
1 1 1   -6   45    1 o   80.680   0.9094  6306.43  133.327  6272.91  161.972  6376.89  234.803   80.364   1.0383   80.996   1.4934 -0.6320724 1.818866 
1 1 1   -6   45    2 o   9.4822   2.3237   57.407   44.410   38.693   49.687  131.742   99.027   7.1957   2.6709   11.769   3.8033 -4.573040 4.647441 
1 1 1   -6   45    3 o   33.293   4.4899  1142.17   58.898  1142.60   59.205  1100.23  579.025   34.302   0.8892   32.285   8.9357 2.017014 8.979826 
1 1 1   -6   45    4 o   58.031   3.1059  3576.57  105.525  3590.67  106.904  3040.54  659.168   60.806   0.9057   55.255   6.1455 5.550827 6.211884 
1 1 1   -6   45    5 o   18.298   4.1091  311.772   47.658  314.572   47.839 -56.5246  548.630   17.991   1.3698   18.605   8.1033 -0.6139965 8.218297 
1 1 1   -6   45    6 o   42.083   4.5818  2449.48   84.427  2473.61   85.244  1208.27  611.310   50.469   0.8701   33.696   9.1222 16.77345 9.163636 
1 1 1   -6   45    7 o   49.013   0.8517  2332.88   81.032  2332.88   81.032   0.0000   0.0000   49.013   0.8517  ?   ?       ?      ? 
1 1 1   -6   45    8 o   81.319   1.0651  6424.09  168.125  6424.09  168.125   0.0000   0.0000   81.319   1.0651  ?   ?       ?      ? 
1 1 1   -6   45    9 o   34.152   0.8870  1132.83   58.802  1132.83   58.802   0.0000   0.0000   34.152   0.8870  ?   ?       ?      ? 
1 1 1   -6   45   10 o   39.835   0.8411  1541.15   65.037  1541.15   65.037   0.0000   0.0000   39.835   0.8411  ?   ?       ?      ? 
1 1 1   -6   45   11 o   35.703   0.7049  1224.31   47.298  1184.46   59.377  1293.49   78.239   34.921   0.8759   36.485   1.1047 -1.564201 1.409809 
1 1 1   -6   45   12 o   45.596   0.6966  2025.52   60.007  2044.42   76.717  1995.72   96.311   45.877   0.8615   45.316   1.0949 0.5609016 1.393143 
1 1 1   -6   45   13 o   20.430   1.0840  409.676   42.337  429.100   56.038  383.846   64.621   21.004   1.3744   19.856   1.6766 1.148598 2.167930 
1 1 1   -6   45   14 o   63.053   0.7791  3858.53   90.659  3845.52  111.931  3883.34  154.575   62.913   0.9165   63.194   1.2601 -0.2804070 1.558155 
1 1 1   -6   45   15 o   57.515   0.7743  3195.72   83.938  3133.85  106.161  3298.90  137.098   56.788   0.9630   58.243   1.2126 -1.455093 1.548520 
1 1 1   -6   45   16 o   39.463   0.7706  1513.91   58.440  1510.67   77.331  1518.23   89.236   39.419   1.0106   39.507   1.1636 -0.8779526E-01 1.541203 
1 1 1   -6   45   17 o   25.777   1.2141  664.297   59.227  555.569   89.466  749.123   79.022   23.833   1.9338   27.720   1.4685 -3.886847 2.428189 
1 1 1   -6   45   18 o   44.032   0.8786  1889.44   74.830  1881.59  110.500  1896.09  101.698   43.941   1.2955   44.124   1.1873 -0.1832542 1.757275 
1 1 1   -6   45   19 o   59.676   0.9371  3459.86  107.775  3592.26  163.735  3358.64  143.162   60.663   1.3904   58.688   1.2566 1.975128 1.874161 
1 1 1   -6   45   20 o   21.175   1.4457  423.508   56.919  504.092   98.634  383.275   69.694   22.591   2.2492   19.759   1.8171 2.832907 2.891453 
1 1 1   -6   45   21 o   30.837   1.1235  898.972   64.878  1064.53  110.402  811.641   80.185   32.893   1.7291   28.782   1.4352 4.110737 2.247093 
1 1 1   -6   45   22 o   19.316   1.3788  368.677   51.557  389.211   76.432  351.533   69.839   19.800   1.9886   18.833   1.9103 0.9664574 2.757544 
1 1 1   -6   45   23 o   9.5698   2.3637   88.612   54.074   70.094   85.760  100.832   69.667   9.2166   3.4905   9.9231   3.1883 -0.7064867 4.727451 
1 1 1   -6   45   24 o   9.7245   2.2425   97.577   53.197   24.216   86.942  141.477   67.256   7.9833   3.3424   11.466   2.9906 -3.482405 4.485026 
1 1 1   -6   45   25 o   6.2273   2.0538 -69.1907   60.377 -39.8188   91.473 -91.8656   80.371   6.8548   3.1220   5.5998   2.6693 1.254959 4.107525 
1 1 1   -6   45   26 o   12.567   2.6316  185.741   68.811  154.770  113.366  203.809   86.586   11.695   4.0718   13.440   3.3348 -1.745004 5.263131 
1 1 1   -6   46    1 o   27.866   1.1328  780.471   48.057  796.869   53.691  714.406  107.771   28.644   0.9656   27.089   2.0495 1.554550 2.265543 
1 1 1   -6   46    2 o   73.979   0.8621  5291.00  116.141  5241.40  141.243  5394.55  204.085   73.460   0.9905   74.498   1.4112 -1.038223 1.724138 
1 1 1   -6   46    3 o   41.190   3.6113  1351.38   64.467  1343.89   64.809  2055.79  628.519   37.199   0.8975   45.180   7.1665 -7.980320 7.222520 
1 1 1   -6   46    4 o   69.835   3.0041  5623.79  146.436  5694.18  149.513  3966.11  725.576   76.566   1.0060   63.104   5.9233 13.46209 6.008113 
1 1 1   -6   46    5 o   69.134   3.7463  5571.72  150.279  5619.70  152.438  3913.68  896.125   76.061   1.0324   62.206   7.4211 13.85463 7.492577 
1 1 1   -6   46    6 o   88.296   1.1493  7574.79  196.983  7574.79  196.983   0.0000   0.0000   88.296   1.1493  ?   ?       ?      ? 
1 1 1   -6   46    7 o   32.216   0.9591  1008.14   59.978  1008.14   59.978   0.0000   0.0000   32.216   0.9591  ?   ?       ?      ? 
1 1 1   -6   46    8 o   21.584   1.2070  452.761   50.570  452.761   50.570   0.0000   0.0000   21.584   1.2070  ?   ?       ?      ? 
1 1 1   -6   46    9 o   19.627   1.3624  374.529   51.905  374.529   51.905   0.0000   0.0000   19.627   1.3624  ?   ?       ?      ? 
1 1 1   -6   46   10 o   40.151   0.8899  1565.84   69.356  1565.84   69.356   0.0000   0.0000   40.151   0.8899  ?   ?       ?      ? 
1 1 1   -6   46   11 o   33.005   0.9692  1058.36   62.095  1058.36   62.095   0.0000   0.0000   33.005   0.9692  ?   ?       ?      ? 
1 1 1   -6   46   12 o   54.274   0.7220  2851.38   73.806  2817.72   93.402  2907.36  120.431   53.856   0.8934   54.692   1.1344 -0.8350983 1.443942 
1 1 1   -6   46   13 o   75.709   0.8741  5528.03  121.613  5435.12  148.986  5713.53  210.523   74.785   1.0263   76.633   1.4152 -1.848236 1.748150 
1 1 1   -6   46   14 o   72.458   0.8629  5083.83  116.257  5030.27  144.555  5181.90  195.617   71.940   1.0351   72.977   1.3809 -1.036148 1.725790 
1 1 1   -6   46   15 o   12.000   1.9679  149.553   44.810  166.724   59.271  126.646   68.458   12.834   2.4687   11.166   3.0652 1.668283 3.935709 
1 1 1   -6   46   16 o   46.484   0.7732  2098.05   68.994  2075.12   90.807  2129.36  106.114   46.192   1.0127   46.776   1.1687 -0.5840759 1.546408 
1 1 1   -6   46   17 o   42.044   0.9115  1709.20   73.779  1820.30  113.141  1627.01   97.316   43.216   1.3487   40.872   1.2266 2.344143 1.823015 
1 1 1   -6   46   18 o   33.551   0.9612  1102.30   61.787  1071.32   94.617  1125.33   81.585   33.124   1.4715   33.978   1.2369 -0.8545799 1.922344 
1 1 1   -6   46   19 o   21.009   1.5538  456.520   59.119  367.483   97.661  508.020   74.274   19.244   2.6143   22.773   1.6801 -3.529074 3.107623 
1 1 1   -6   46   20 o   58.741   0.9540  3393.22  107.915  3192.68  160.185  3559.88  146.026   57.111   1.4449   60.371   1.2460 -3.260078 1.907961 
1 1 1   -6   46   21 f   11.675   2.4003  146.312   56.215  121.006   99.855  158.054   68.018   11.088   3.8237   12.261   2.9027 -1.172645 4.800679 
1 1 1   -6   46   22 o   20.382   1.3369  410.871   52.800  445.185   77.042  380.479   72.505   21.186   1.8733   19.578   1.9078 1.607857 2.673766 
1 1 1   -6   46   23 o   11.687   2.3449  145.346   54.838  158.307   86.795  136.734   70.748   12.080   3.4993   11.294   3.1225 0.7861042 4.689892 
1 1 1   -6   46   24 o   8.7916   2.3604   65.735   54.243   63.181   89.754   67.204   68.082   9.0068   3.5285   8.5764   3.1362 0.4304686 4.720825 
1 1 1   -6   46   25 o   6.2685   2.0280 -77.9850   60.654 -185.8241   89.199   14.765   82.723   5.0113   2.4791   7.5256   3.2102 -2.514369 4.056075 
1 1 1   -6   46   26 o   7.5144   2.3368  -8.9341   68.603 -76.8672  106.350   39.478   89.779   6.7973   3.1884   8.2315   3.4171 -1.434200 4.673645 
1 1 1   -6   47    1 o   67.832   0.9645  4470.50  126.924  4418.25  176.119  4526.97  183.080   67.421   1.3457   68.243   1.3820 -0.8217926 1.928951 
1 1 1   -6   47    2 o   43.159   4.5186  2062.65   77.589  2067.05   78.092  1724.89  684.138   46.135   0.8720   40.183   8.9950 5.952190 9.037210 
1 1 1   -6   47    3 o   34.802   4.8598  1287.56   64.745  1288.62   65.058  1177.53  661.594   36.425   0.9201   33.178   9.6759 3.246674 9.719520 
1 1 1   -6   47    4 o   31.594   5.4740  1260.03   64.868  1264.31   65.045  476.119  880.377   36.079   0.9287   27.109   10.909 8.970325 10.94800 
1 1 1   -6   47    5 o   55.588   0.8902  3001.18   96.060  3001.18   96.060   0.0000   0.0000   55.588   0.8902  ?   ?       ?      ? 
1 1 1   -6   47    6 f   35.627   0.9440  1232.98   65.283  1232.98   65.283   0.0000   0.0000   35.627   0.9440  ?   ?       ?      ? 
1 1 1   -6   47    7 o   61.379   0.9012  3659.36  107.377  3659.36  107.377   0.0000   0.0000   61.379   0.9012  ?   ?       ?      ? 
1 1 1   -6   47    8 o   75.479   1.0133  5534.76  148.473  5534.76  148.473   0.0000   0.0000   75.479   1.0133  ?   ?       ?      ? 
1 1 1   -6   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   47   10 o   14.345   1.8037  200.451   50.225  200.451   50.225   0.0000   0.0000   14.345   1.8037  ?   ?       ?      ? 
1 1 1   -6   47   11 o   57.928   0.8879  3259.79   99.843  3259.79   99.843   0.0000   0.0000   57.928   0.8879  ?   ?       ?      ? 
1 1 1   -6   47   12 o   34.614   0.7727  1173.93   50.766  1212.40   65.869  1117.65   79.674   35.324   0.9606   33.904   1.2106 1.419422 1.545418 
1 1 1   -6   47   13 o   42.041   0.7535  1728.89   60.534  1785.02   79.660  1652.19   93.123   42.859   0.9575   41.222   1.1638 1.637356 1.507022 
1 1 1   -6   47   14 o   45.839   0.7275  2028.83   62.939  1984.97   79.729  2101.35  102.528   45.194   0.9088   46.484   1.1362 -1.289433 1.454984 
1 1 1   -6   47   15 o   28.427   0.9215  788.679   50.398  800.955   67.238  772.939   76.136   28.687   1.2075   28.168   1.3924 0.5190926 1.843037 
1 1 1   -6   47   16 o   19.670   1.2207  376.623   46.215  367.779   61.165  388.390   70.551   19.409   1.6234   19.931   1.8235 -0.5213394 2.441448 
1 1 1   -6   47   17 o   24.146   1.0409  563.514   48.212  534.951   62.846  604.366   75.159   23.418   1.3825   24.874   1.5566 -1.456329 2.081871 
1 1 1   -6   47   18 o   39.294   0.8910  1494.71   67.111  1575.57  104.604  1438.15   87.491   40.177   1.3412   38.411   1.1734 1.766773 1.782060 
1 1 1   -6   47   19 o   26.201   1.2273  679.935   59.791  651.437   98.928  696.336   75.049   25.721   1.9814   26.682   1.4490 -0.9606304 2.454674 
1 1 1   -6   47   20 o   9.1576   2.4370   67.945   59.353   20.344  102.635   91.861   72.751   8.6047   3.6186   9.7106   3.2652 -1.105908 4.874013 
1 1 1   -6   47   21 o   37.872   1.0210  1398.41   72.005  1448.89  121.110  1370.82   89.551   38.333   1.6276   37.411   1.2331 0.9220390 2.041967 
1 1 1   -6   47   22 o   12.113   2.2064  156.633   52.142  162.872   75.964  151.076   71.700   12.331   3.1594   11.895   3.0807 0.4359245 4.412757 
1 1 1   -6   47   23 o   14.607   2.0925  233.112   56.743  189.492   89.530  262.396   73.357   13.120   3.4642   16.093   2.3482 -2.972693 4.185054 
1 1 1   -6   47   24 o   7.6017   2.2178  -5.1090   56.639   86.668   88.714 -68.2585   73.589   9.6030   3.5680   5.6004   2.6350 4.002647 4.435544 
1 1 1   -6   47   25 o   9.5427   2.4975   86.501   64.832   24.240  102.658  127.808   83.617   8.3387   3.5671   10.747   3.4966 -2.407978 4.995051 
1 1 1   -6   48    1 o   44.743   0.8867  1979.81   66.781  2015.38   77.529  1877.53  131.462   45.552   0.8768   43.934   1.5414 1.617649 1.773360 
1 1 1   -6   48    2 o   12.170   4.1529   59.528   56.411   67.350   56.529 -1802.3140  872.125   8.5742   2.8783   15.767   7.7911 -7.192328 8.305724 
1 1 1   -6   48    3 f   33.957   5.8611  1084.03   62.363  1083.17   62.503  1276.17  931.367   33.392   0.9643   34.522   11.683 -1.129463 11.72230 
1 1 1   -6   48    4 o   60.600   0.9360  3567.27  110.108  3567.27  110.108   0.0000   0.0000   60.600   0.9360  ?   ?       ?      ? 
1 1 1   -6   48    5 o   44.276   0.8665  1904.00   74.470  1904.00   74.470   0.0000   0.0000   44.276   0.8665  ?   ?       ?      ? 
1 1 1   -6   48    6 o   92.596   1.1986  8332.87  215.445  8332.87  215.445   0.0000   0.0000   92.596   1.1986  ?   ?       ?      ? 
1 1 1   -6   48    7 o   70.107   0.9912  4774.98  134.891  4774.98  134.891   0.0000   0.0000   70.107   0.9912  ?   ?       ?      ? 
1 1 1   -6   48    8 o   33.770   0.9623  1107.97   63.080  1107.97   63.080   0.0000   0.0000   33.770   0.9623  ?   ?       ?      ? 
1 1 1   -6   48    9 o   61.916   0.9297  3724.47  111.746  3724.47  111.746   0.0000   0.0000   61.916   0.9297  ?   ?       ?      ? 
1 1 1   -6   48   10 o   42.437   0.9172  1749.61   75.554  1749.61   75.554   0.0000   0.0000   42.437   0.9172  ?   ?       ?      ? 
1 1 1   -6   48   11 o   29.934   1.0788  870.895   62.683  870.895   62.683   0.0000   0.0000   29.934   1.0788  ?   ?       ?      ? 
1 1 1   -6   48   12 o   33.224   0.7933  1051.77   50.287  965.622   64.404  1186.34   80.490   31.519   1.0526   34.929   1.1871 -3.410021 1.586593 
1 1 1   -6   48   13 f   29.580   0.8375  854.972   47.296  873.831   61.920  828.559   73.279   29.979   1.0640   29.180   1.2937 0.7989807 1.675026 
1 1 1   -6   48   14 o   34.821   0.7898  1166.52   52.761  1099.77   68.725  1262.31   82.335   33.627   1.0529   36.016   1.1776 -2.389938 1.579674 
1 1 1   -6   48   15 o   8.2703   2.0980   54.962   42.754   39.749   56.487   75.366   65.418   7.4719   2.8321   9.0688   3.0960 -1.596849 4.195971 
1 1 1   -6   48   16 o   8.0744   1.8872  -2.7999   46.465 -111.4013   61.639  140.136   70.715   4.4815   2.1847   11.667   3.0779 -7.185875 3.774425 
1 1 1   -6   48   17 o   31.526   0.9041  968.420   55.214  884.983   76.785  1057.76   79.452   30.117   1.3134   32.935   1.2427 -2.817844 1.808138 
1 1 1   -6   48   18 o   27.973   1.0735  755.239   57.341  821.278   91.076  711.870   73.806   28.957   1.6203   26.989   1.4088 1.967785 2.147077 
1 1 1   -6   48   19 o   12.482   2.1005  182.629   57.154   29.665   96.532  265.194   70.921   8.6159   3.5573   16.349   2.2348 -7.732677 4.200975 
1 1 1   -6   48   20 o   19.323   1.9520  424.141   61.880  281.347  106.695  496.515   75.959   16.217   3.4926   22.430   1.7446 -6.213228 3.904068 
1 1 1   -6   48   21 o   25.499   1.3661  651.717   63.553  627.479  109.361  664.076   78.093   25.034   2.2505   25.963   1.5495 -0.9296532 2.732285 
1 1 1   -6   48   22 o   7.3216   2.1843   9.8604   53.485   36.915   79.405 -12.6074   72.362   8.0571   3.2642   6.5861   2.9034 1.470984 4.368592 
1 1 1   -6   48   23 o   9.5235   2.4247   87.764   57.628   70.007   86.502  101.934   77.274   9.1074   3.4920   9.9396   3.3651 -0.8321371 4.849498 
1 1 1   -6   48   24 o   9.7930   2.3451   76.201   58.152  177.409   91.042   6.4536   75.579   12.526   3.5706   7.0604   3.0413 5.465077 4.690227 
1 1 1   -6   48   25 o   6.7623   2.2036 -68.2037   65.426   12.283  106.465 -117.0445   82.935   8.1685   3.5634   5.3561   2.5933 2.812400 4.407120 
1 1 1   -6   49    1 o   58.713   0.8462  3292.93   88.602  3208.77  105.456  3494.95  163.381   57.474   0.9452   59.953   1.4039 -2.478462 1.692428 
1 1 1   -6   49    2 o   54.335   5.7832  3904.78  116.262  3926.29  117.036  2293.50  1012.93   63.576   0.9483   45.094   11.528 18.48236 11.56647 
1 1 1   -6   49    3 o   31.641   1.0187  972.637   62.570  972.637   62.570   0.0000   0.0000   31.641   1.0187  ?   ?       ?      ? 
1 1 1   -6   49    4 o   93.364   1.2170  8472.51  220.567  8472.51  220.567   0.0000   0.0000   93.364   1.2170  ?   ?       ?      ? 
1 1 1   -6   49    5 o   38.273   0.9529  1423.02   70.793  1423.02   70.793   0.0000   0.0000   38.273   0.9529  ?   ?       ?      ? 
1 1 1   -6   49    6 o   12.378   2.4210  154.768   56.087  154.768   56.087   0.0000   0.0000   12.378   2.4210  ?   ?       ?      ? 
1 1 1   -6   49    7 o   13.864   2.1168  187.502   56.967  187.502   56.967   0.0000   0.0000   13.864   2.1168  ?   ?       ?      ? 
1 1 1   -6   49    8 o   61.042   0.9268  3620.02  109.821  3620.02  109.821   0.0000   0.0000   61.042   0.9268  ?   ?       ?      ? 
1 1 1   -6   49    9 o   50.518   0.8993  2479.36   88.187  2479.36   88.187   0.0000   0.0000   50.518   0.8993  ?   ?       ?      ? 
1 1 1   -6   49   10 o   52.866   0.9055  2715.40   92.928  2715.40   92.928   0.0000   0.0000   52.866   0.9055  ?   ?       ?      ? 
1 1 1   -6   49   11 o   10.977   2.5519  122.674   53.346  122.674   53.346   0.0000   0.0000   10.977   2.5519  ?   ?       ?      ? 
1 1 1   -6   49   12 o   28.474   1.1176  788.464   61.775  788.464   61.775   0.0000   0.0000   28.474   1.1176  ?   ?       ?      ? 
1 1 1   -6   49   13 o   61.880   0.7922  3730.49   91.875  3745.49  115.870  3705.08  150.780   62.067   0.9617   61.693   1.2591 0.3739471 1.584329 
1 1 1   -6   49   14 o   15.850   1.4424  252.195   43.013  278.102   56.281  215.816   66.694   16.874   1.7183   14.826   2.3173 2.047409 2.884846 
1 1 1   -6   49   15 o   22.068   1.1179  466.565   47.333  418.955   61.484  535.831   74.161   20.716   1.5289   23.419   1.6313 -2.702763 2.235808 
1 1 1   -6   49   16 o   30.394   0.8729  891.503   50.916  843.820   66.443  959.341   79.251   29.427   1.1632   31.361   1.3018 -1.934008 1.745756 
1 1 1   -6   49   17 o   43.132   0.7704  1810.48   63.874  1796.44   84.468  1829.22   97.614   42.948   1.0132   43.315   1.1609 -0.3669090 1.540872 
1 1 1   -6   49   18 o   48.874   0.8828  2338.33   83.345  2278.69  123.245  2388.59  113.137   48.282   1.3150   49.467   1.1782 -1.185181 1.765616 
1 1 1   -6   49   19 o   15.505   2.1335  237.545   59.528  304.726  102.905  203.758   72.978   17.022   3.2325   13.988   2.7855 3.034355 4.267067 
1 1 1   -6   49   20 o   31.067   1.2162  986.654   68.932  848.587  114.729  1064.65   86.232   29.199   2.0241   32.934   1.3488 -3.734737 2.432367 
1 1 1   -6   49   21 o   29.841   1.1917  834.170   65.485  1030.57  116.593  743.660   79.149   32.207   1.8649   27.475   1.4840 4.731354 2.383334 
1 1 1   -6   49   22 o   19.174   1.8555  381.002   63.884  364.736  112.531  388.738   77.602   18.664   3.1060   19.684   2.0309 -1.020300 3.711085 
1 1 1   -6   49   23 o   25.051   1.2851  630.018   61.976  610.287   92.917  645.831   83.184   24.643   1.9424   25.459   1.6832 -0.8160915 2.570193 
1 1 1   -6   49   24 o   14.565   2.4299  231.053   65.719  284.042  109.488  201.210   82.167   15.716   3.6575   13.414   3.2002 2.301943 4.859866 
1 1 1   -6   50    1 o   72.037   0.9335  5118.68  121.466  5250.85  147.980  4845.72  212.663   73.509   1.0370   70.564   1.5525 2.944603 1.867034 
1 1 1   -6   50    2 o   40.468   0.9316  1591.01   73.180  1591.01   73.180   0.0000   0.0000   40.468   0.9316  ?   ?       ?      ? 
1 1 1   -6   50    3 o   28.075   1.1896  766.251   64.832  766.251   64.832   0.0000   0.0000   28.075   1.1896  ?   ?       ?      ? 
1 1 1   -6   50    4 o   79.230   1.0736  6100.67  165.113  6100.67  165.113   0.0000   0.0000   79.230   1.0736  ?   ?       ?      ? 
1 1 1   -6   50    5 o   36.902   0.9883  1323.17   70.799  1323.17   70.799   0.0000   0.0000   36.902   0.9883  ?   ?       ?      ? 
1 1 1   -6   50    6 o  112.900   1.4286 12399.72  313.097 12399.72  313.097   0.0000   0.0000  112.900   1.4286  ?   ?       ?      ? 
1 1 1   -6   50    7 o   67.312   0.9861  4402.52  128.849  4402.52  128.849   0.0000   0.0000   67.312   0.9861  ?   ?       ?      ? 
1 1 1   -6   50    8 o   5.2326   2.3997 -39.7958   55.279 -39.7958   55.279   0.0000   0.0000   5.2326   2.3997  ?   ?       ?      ? 
1 1 1   -6   50    9 f   52.039   0.8804  2630.99   88.934  2630.99   88.934   0.0000   0.0000   52.039   0.8804  ?   ?       ?      ? 
1 1 1   -6   50   10 o   27.924   1.1567  758.241   62.698  758.241   62.698   0.0000   0.0000   27.924   1.1567  ?   ?       ?      ? 
1 1 1   -6   50   11 o   9.6283   2.8906   92.095   58.355   92.095   58.355   0.0000   0.0000   9.6283   2.8906  ?   ?       ?      ? 
1 1 1   -6   50   12 o   5.8659   2.5711 -12.9884   56.018 -12.9884   56.018   0.0000   0.0000   5.8659   2.5711  ?   ?       ?      ? 
1 1 1   -6   50   13 o   32.504   0.8158  1023.05   49.425  1009.61   61.608  1047.34   82.790   32.218   0.9851   32.790   1.3007 -0.5711746 1.631613 
1 1 1   -6   50   14 o   31.964   0.8590  1004.11   52.194  1043.18   68.062  948.338   81.324   32.738   1.0710   31.189   1.3432 1.548809 1.717937 
1 1 1   -6   50   15 o   27.956   0.9134  750.500   48.259  713.815   60.944  812.178   79.024   27.067   1.1599   28.844   1.4113 -1.777897 1.826825 
1 1 1   -6   50   16 o   35.160   0.8105  1195.32   54.636  1146.52   71.230  1265.07   85.155   34.305   1.0696   36.015   1.2180 -1.710106 1.621028 
1 1 1   -6   50   17 o   23.895   1.1341  560.636   52.487  520.412   74.438  600.410   74.020   23.032   1.6650   24.758   1.5402 -1.726044 2.268115 
1 1 1   -6   50   18 o   21.230   1.2498  446.589   51.218  486.423   71.196  403.860   73.738   22.238   1.6493   20.223   1.8784 2.014746 2.499676 
1 1 1   -6   50   19 o   19.296   1.6743  361.034   59.880  415.711  103.879  333.825   73.279   20.277   2.6391   18.314   2.0612 1.963057 3.348634 
1 1 1   -6   50   20 f   21.431   1.5692  470.064   62.053  423.119  102.200  497.477   78.096   20.451   2.5744   22.410   1.7952 -1.959164 3.138486 
1 1 1   -6   50   21 f   7.5987   2.2593   16.867   57.400 -49.1563  101.054   48.315   69.743   7.1522   3.2667   8.0452   3.1218 -0.8929567 4.518503 
1 1 1   -6   50   22 o   9.6658   2.5778   84.866   62.736   74.751  115.038   89.147   74.845   9.8809   3.9548   9.4507   3.3075 0.4301281 5.155551 
1 1 1   -6   50   23 o   11.588   2.3295  148.951   58.913   78.396   85.026  214.100   81.703   9.2262   3.4800   13.950   3.0978 -4.724251 4.659034 
1 1 1   -6   50   24 o   7.9539   2.3779   15.383   68.335 -96.4907  116.628   73.867   84.326   6.9274   3.2770   8.9804   3.4467 -2.053013 4.755868 
1 1 1   -6   51    1 o   57.652   0.8320  3246.40   87.401  3276.31  106.843  3185.89  151.955   58.071   0.9478   57.233   1.3677 0.8379555 1.664052 
1 1 1   -6   51    2 o   43.614   0.9522  1848.11   80.619  1848.11   80.619   0.0000   0.0000   43.614   0.9522  ?   ?       ?      ? 
1 1 1   -6   51    3 o   10.963   2.8079  122.157   60.019  122.157   60.019   0.0000   0.0000   10.963   2.8079  ?   ?       ?      ? 
1 1 1   -6   51    4 o   66.050   0.9882  4239.04  126.698  4239.04  126.698   0.0000   0.0000   66.050   0.9882  ?   ?       ?      ? 
1 1 1   -6   51    5 o   25.695   1.2520  641.990   62.449  641.990   62.449   0.0000   0.0000   25.695   1.2520  ?   ?       ?      ? 
1 1 1   -6   51    6 o   69.884   1.0135  4746.11  137.482  4746.11  137.482   0.0000   0.0000   69.884   1.0135  ?   ?       ?      ? 
1 1 1   -6   51    7 o   27.792   1.1761  750.982   63.448  750.982   63.448   0.0000   0.0000   27.792   1.1761  ?   ?       ?      ? 
1 1 1   -6   51    8 o  107.626   1.3715 11271.38  286.534 11271.38  286.534   0.0000   0.0000  107.626   1.3715  ?   ?       ?      ? 
1 1 1   -6   51    9 o   80.550   1.0999  6308.81  171.980  6308.81  171.980   0.0000   0.0000   80.550   1.0999  ?   ?       ?      ? 
1 1 1   -6   51   10 o   8.5722   2.9243   66.776   58.360   66.776   58.360   0.0000   0.0000   8.5722   2.9243  ?   ?       ?      ? 
1 1 1   -6   51   11 o   15.709   1.8276  241.099   55.731  241.099   55.731   0.0000   0.0000   15.709   1.8276  ?   ?       ?      ? 
1 1 1   -6   51   12 o   35.038   0.9713  1193.99   66.063  1193.99   66.063   0.0000   0.0000   35.038   0.9713  ?   ?       ?      ? 
1 1 1   -6   51   13 o   17.632   1.3292  309.131   44.521  332.564   58.696  277.385   68.320   18.449   1.6389   16.814   2.0931 1.634939 2.658442 
1 1 1   -6   51   14 o   23.658   1.0167  553.055   45.157  574.360   57.645  519.217   72.650   24.274   1.2234   23.042   1.6242 1.232248 2.033424 
1 1 1   -6   51   15 o   34.371   0.8069  1158.28   53.120  1197.16   70.328  1106.63   81.056   35.060   1.0334   33.683   1.2397 1.377167 1.613889 
1 1 1   -6   51   16 o   29.051   0.9256  832.402   51.630  896.818   69.893  755.032   76.598   30.317   1.1876   27.786   1.4201 2.531076 1.851277 
1 1 1   -6   51   17 o   47.374   0.7675  2198.44   69.048  2230.34   89.242  2150.86  108.989   47.832   0.9611   46.915   1.1967 0.9163780 1.534918 
1 1 1   -6   51   18 o   25.914   1.0668  659.240   53.611  700.339   77.343  621.231   74.378   26.693   1.4926   25.134   1.5245 1.559551 2.133534 
1 1 1   -6   51   19 o   22.855   1.1742  515.676   52.084  529.599   73.955  501.975   73.363   23.164   1.6447   22.545   1.6763 0.6194878 2.348430 
1 1 1   -6   51   20 o   22.024   1.5396  482.710   63.229  502.344  105.957  471.852   78.796   22.271   2.4509   21.777   1.8640 0.4944992 3.079146 
1 1 1   -6   51   21 o   8.8964   2.4778   57.290   60.051   74.756  103.605   48.453   73.692   9.6508   3.7880   8.1419   3.1950 1.508905 4.955542 
1 1 1   -6   51   22 o   20.487   1.7690  428.286   66.397  443.602  115.056  420.638   81.301   20.568   2.8817   20.406   2.0524 0.1620045 3.537907 
1 1 1   -6   51   23 o   8.5145   2.5166   34.001   65.220   74.044  116.168   15.570   78.813   9.6867   3.9395   7.3422   3.1327 2.344594 5.033247 
1 1 1   -6   52    1 o   74.999   1.0359  5466.64  150.810  5466.64  150.810   0.0000   0.0000   74.999   1.0359  ?   ?       ?      ? 
1 1 1   -6   52    2 o   25.123   1.3411  613.970   65.404  613.970   65.404   0.0000   0.0000   25.123   1.3411  ?   ?       ?      ? 
1 1 1   -6   52    3 o   42.334   0.9440  1741.37   77.579  1741.37   77.579   0.0000   0.0000   42.334   0.9440  ?   ?       ?      ? 
1 1 1   -6   52    4 o   74.828   1.0611  5442.35  154.123  5442.35  154.123   0.0000   0.0000   74.828   1.0611  ?   ?       ?      ? 
1 1 1   -6   52    5 o   63.426   0.9760  3909.41  120.161  3909.41  120.161   0.0000   0.0000   63.426   0.9760  ?   ?       ?      ? 
1 1 1   -6   52    6 o   41.050   0.9244  1637.49   73.664  1637.49   73.664   0.0000   0.0000   41.050   0.9244  ?   ?       ?      ? 
1 1 1   -6   52    7 o   23.712   1.2807  547.035   58.948  547.035   58.948   0.0000   0.0000   23.712   1.2807  ?   ?       ?      ? 
1 1 1   -6   52    8 o   35.059   0.9786  1194.88   66.599  1194.88   66.599   0.0000   0.0000   35.059   0.9786  ?   ?       ?      ? 
1 1 1   -6   52    9 o   30.714   1.0096  917.348   60.193  917.348   60.193   0.0000   0.0000   30.714   1.0096  ?   ?       ?      ? 
1 1 1   -6   52   10 o   23.077   1.2928  518.685   57.912  518.685   57.912   0.0000   0.0000   23.077   1.2928  ?   ?       ?      ? 
1 1 1   -6   52   11 o   21.096   1.4094  433.866   57.714  433.866   57.714   0.0000   0.0000   21.096   1.4094  ?   ?       ?      ? 
1 1 1   -6   52   12 o   31.447   1.0706  962.614   65.355  962.614   65.355   0.0000   0.0000   31.447   1.0706  ?   ?       ?      ? 
1 1 1   -6   52   13 o   21.243   1.0699  447.215   43.149  476.505   56.609  406.604   66.657   22.102   1.3195   20.384   1.6846 1.717594 2.139818 
1 1 1   -6   52   14 o   21.837   1.0991  459.964   45.850  432.463   59.053  501.702   72.751   21.038   1.4461   22.636   1.6557 -1.598000 2.198281 
1 1 1   -6   52   15 o   13.947   1.7075  184.323   43.316   99.033   55.161  321.516   69.961   9.8255   2.7718   18.068   1.9947 -8.242473 3.414913 
1 1 1   -6   52   16 o   31.844   0.8646  1003.31   52.625  1080.55   70.357  905.214   79.288   33.275   1.0892   30.413   1.3430 2.862190 1.729203 
1 1 1   -6   52   17 o   7.0151   2.0967   5.9965   49.952 -19.4662   72.286   29.269   69.107   6.4914   2.8797   7.5389   3.0483 -1.047466 4.193426 
1 1 1   -6   52   18 f   23.089   1.1935  530.078   53.033  494.166   78.631  560.047   71.830   22.336   1.8135   23.843   1.5520 -1.506559 2.386924 
1 1 1   -6   52   19 o   34.014   0.9047  1139.20   59.360  1171.59   80.269  1100.11   88.183   34.574   1.1960   33.455   1.3579 1.118305 1.809486 
1 1 1   -6   52   20 o   14.374   2.3451  237.603   60.699  179.734  114.489  260.229   71.589   12.713   4.0874   16.034   2.3001 -3.320181 4.690168 
1 1 1   -6   52   21 o   16.510   2.3492  326.809   68.130  215.838  119.713  379.969   82.857   13.664   4.1488   19.357   2.2051 -5.692750 4.698440 
1 1 1   -6   52   22 o   9.5005   2.5814   81.902   65.626   79.441  107.415   83.368   82.897   9.6909   3.8400   9.3102   3.4510 0.3807354 5.162885 
1 1 1   -6   52   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   53    1 f   9.3497   2.9719   84.372   60.656   84.372   60.656   0.0000   0.0000   9.3497   2.9719  ?   ?       ?      ? 
1 1 1   -6   53    2 o   24.885   1.3606  602.618   65.726  602.618   65.726   0.0000   0.0000   24.885   1.3606  ?   ?       ?      ? 
1 1 1   -6   53    3 o   46.480   0.9511  2099.52   85.809  2099.52   85.809   0.0000   0.0000   46.480   0.9511  ?   ?       ?      ? 
1 1 1   -6   53    4 f   41.146   0.9500  1645.44   75.879  1645.44   75.879   0.0000   0.0000   41.146   0.9500  ?   ?       ?      ? 
1 1 1   -6   53    5 o   6.0029   2.6398 -15.7207   59.473 -15.7207   59.473   0.0000   0.0000   6.0029   2.6398  ?   ?       ?      ? 
1 1 1   -6   53    6 o   44.477   0.9671  1923.05   83.494  1923.05   83.494   0.0000   0.0000   44.477   0.9671  ?   ?       ?      ? 
1 1 1   -6   53    7 o   21.689   1.4778  458.408   62.218  458.408   62.218   0.0000   0.0000   21.689   1.4778  ?   ?       ?      ? 
1 1 1   -6   53    8 o   52.534   0.9331  2683.35   95.151  2683.35   95.151   0.0000   0.0000   52.534   0.9331  ?   ?       ?      ? 
1 1 1   -6   53    9 f   40.147   0.9819  1567.66   76.523  1567.66   76.523   0.0000   0.0000   40.147   0.9819  ?   ?       ?      ? 
1 1 1   -6   53   10 o   19.214   1.6180  360.533   60.347  360.533   60.347   0.0000   0.0000   19.214   1.6180  ?   ?       ?      ? 
1 1 1   -6   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   53   12 o   42.002   0.8891  1716.26   72.490  1716.26   72.490   0.0000   0.0000   42.002   0.8891  ?   ?       ?      ? 
1 1 1   -6   53   13 f   30.552   1.1150  909.645   66.128  909.645   66.128   0.0000   0.0000   30.552   1.1150  ?   ?       ?      ? 
1 1 1   -6   53   14 o   7.6351   2.0768   38.124   42.905   26.725   55.796   54.614   67.111   6.9534   2.7637   8.3168   3.1007 -1.363392 4.153603 
1 1 1   -6   53   15 f   35.534   0.8116  1237.31   54.848  1255.74   71.094  1210.20   86.204   35.884   1.0206   35.184   1.2622 0.7006454 1.623190 
1 1 1   -6   53   16 o   15.523   1.6284  243.636   46.961  186.898   64.553  307.420   68.443   13.437   2.5685   17.609   2.0023 -4.171856 3.256728 
1 1 1   -6   53   17 o   10.482   2.1754  115.536   47.954  139.598   66.375   89.264   69.357   11.472   2.9607   9.4920   3.1882 1.979528 4.350847 
1 1 1   -6   53   18 o   24.518   1.1362  593.352   54.070  595.265   77.058  591.496   75.888   24.554   1.6167   24.481   1.5969 0.7278633E-01 2.272403 
1 1 1   -6   53   19 o   9.3781   2.2801   83.295   53.094   35.794   77.480  125.346   72.900   7.9412   3.2219   10.815   3.2273 -2.873802 4.560220 
1 1 1   -6   53   20 o   23.201   1.2621  542.426   56.243  606.072   77.669  472.261   81.550   24.702   1.6197   21.700   1.9360 3.002537 2.524215 
1 1 1   -6   53   21 o   25.112   1.5534  664.508   70.594  570.464  118.678  716.004   87.820   23.448   2.6073   26.776   1.6896 -3.327265 3.106900 
1 1 1   -6   53   22 o   14.291   2.4299  244.041   68.487  168.888  111.408  289.695   86.832   12.015   4.0406   16.566   2.7002 -4.551351 4.859805 
1 1 1   -6   54    1 o   27.658   1.3093  744.659   70.294  744.659   70.294   0.0000   0.0000   27.658   1.3093  ?   ?       ?      ? 
1 1 1   -6   54    2 o   39.325   0.9736  1503.43   74.318  1503.43   74.318   0.0000   0.0000   39.325   0.9736  ?   ?       ?      ? 
1 1 1   -6   54    3 o   51.901   0.9484  2618.72   95.552  2618.72   95.552   0.0000   0.0000   51.901   0.9484  ?   ?       ?      ? 
1 1 1   -6   54    4 o   28.435   1.2125  786.929   66.927  786.929   66.927   0.0000   0.0000   28.435   1.2125  ?   ?       ?      ? 
1 1 1   -6   54    5 f   42.323   0.9608  1741.69   78.937  1741.69   78.937   0.0000   0.0000   42.323   0.9608  ?   ?       ?      ? 
1 1 1   -6   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   54    7 o   12.057   2.7197  148.892   62.140  148.892   62.140   0.0000   0.0000   12.057   2.7197  ?   ?       ?      ? 
1 1 1   -6   54    8 o   18.184   1.7559  323.215   61.980  323.215   61.980   0.0000   0.0000   18.184   1.7559  ?   ?       ?      ? 
1 1 1   -6   54    9 o   7.0306   2.8493   21.278   60.529   21.278   60.529   0.0000   0.0000   7.0306   2.8493  ?   ?       ?      ? 
1 1 1   -6   54   10 o   24.790   1.2499  599.065   60.148  599.065   60.148   0.0000   0.0000   24.790   1.2499  ?   ?       ?      ? 
1 1 1   -6   54   11 o   19.512   1.5411  372.217   58.372  372.217   58.372   0.0000   0.0000   19.512   1.5411  ?   ?       ?      ? 
1 1 1   -6   54   12 o   22.751   1.4285  505.781   63.086  505.781   63.086   0.0000   0.0000   22.751   1.4285  ?   ?       ?      ? 
1 1 1   -6   54   13 o   11.640   2.5017  139.508   54.843  139.508   54.843   0.0000   0.0000   11.640   2.5017  ?   ?       ?      ? 
1 1 1   -6   54   14 o   20.935   1.1908  412.001   47.225  315.469   60.373  564.171   75.801   17.905   1.7370   23.964   1.6295 -6.058964 2.381663 
1 1 1   -6   54   15 o   12.740   1.8430  169.906   43.808  184.273   56.649  148.532   69.098   13.613   2.1437   11.866   2.9985 1.747289 3.685971 
1 1 1   -6   54   16 o   13.293   1.8447  180.855   46.475  133.627   63.310  236.048   68.441   11.238   2.8868   15.347   2.2974 -4.108340 3.689366 
1 1 1   -6   54   17 o   24.166   1.1447  575.494   53.584  630.885   77.339  524.357   74.310   25.294   1.5751   23.039   1.6615 2.254591 2.289501 
1 1 1   -6   54   18 o   23.497   1.2533  548.455   57.137  571.273   81.444  526.341   80.179   23.985   1.7493   23.008   1.7952 0.9763832 2.506532 
1 1 1   -6   54   19 o   27.072   1.1217  726.754   58.944  728.172   83.790  725.364   82.935   27.096   1.5931   27.048   1.5796 0.4741287E-01 2.243403 
1 1 1   -6   54   20 o   23.576   1.2807  557.083   58.526  565.409   81.028  548.002   84.625   23.782   1.7551   23.369   1.8655 0.4129848 2.561352 
1 1 1   -6   54   21 o   10.506   2.5105  121.794   62.868   76.765   98.595  152.647   81.611   9.3979   3.6932   11.614   3.4016 -2.216046 5.021021 
1 1 1   -6   55    1 o   24.107   1.4574  566.565   68.202  566.565   68.202   0.0000   0.0000   24.107   1.4574  ?   ?       ?      ? 
1 1 1   -6   55    2 o   17.901   1.7741  313.059   61.646  313.059   61.646   0.0000   0.0000   17.901   1.7741  ?   ?       ?      ? 
1 1 1   -6   55    3 o   11.278   2.9327  130.335   64.806  130.335   64.806   0.0000   0.0000   11.278   2.9327  ?   ?       ?      ? 
1 1 1   -6   55    4 o   33.301   1.1046  1079.19   71.407  1079.19   71.407   0.0000   0.0000   33.301   1.1046  ?   ?       ?      ? 
1 1 1   -6   55    5 o   9.6417   2.9678   92.102   60.990   92.102   60.990   0.0000   0.0000   9.6417   2.9678  ?   ?       ?      ? 
1 1 1   -6   55    6 o   65.278   0.9785  4145.25  123.991  4145.25  123.991   0.0000   0.0000   65.278   0.9785  ?   ?       ?      ? 
1 1 1   -6   55    7 o   61.281   0.9484  3653.15  112.824  3653.15  112.824   0.0000   0.0000   61.281   0.9484  ?   ?       ?      ? 
1 1 1   -6   55    8 o   46.311   0.9112  2086.30   81.917  2086.30   81.917   0.0000   0.0000   46.311   0.9112  ?   ?       ?      ? 
1 1 1   -6   55    9 o   8.7735   2.9792   71.560   60.568   71.560   60.568   0.0000   0.0000   8.7735   2.9792  ?   ?       ?      ? 
1 1 1   -6   55   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   55   11 f   34.308   1.0455  1146.75   69.629  1146.75   69.629   0.0000   0.0000   34.308   1.0455  ?   ?       ?      ? 
1 1 1   -6   55   12 o   42.209   0.9255  1735.02   75.831  1735.02   75.831   0.0000   0.0000   42.209   0.9255  ?   ?       ?      ? 
1 1 1   -6   55   13 o   32.472   1.0772  1028.99   67.901  1028.99   67.901   0.0000   0.0000   32.472   1.0772  ?   ?       ?      ? 
1 1 1   -6   55   14 o   29.402   0.8622  861.057   48.062  934.731   63.331  761.002   73.804   30.941   1.0544   27.863   1.3646 3.078625 1.724488 
1 1 1   -6   55   15 o   8.1994   2.0876   43.681   45.623  -3.3415   60.329  106.495   69.727   6.2473   2.7040   10.151   3.1813 -3.904190 4.175224 
1 1 1   -6   55   16 f   31.492   0.8739  975.115   53.053  1002.07   71.571  942.241   79.040   31.996   1.1523   30.987   1.3140 1.008919 1.747705 
1 1 1   -6   55   17 f   17.514   1.5311  313.674   50.786  341.944   67.038  275.598   77.802   18.533   1.8634   16.495   2.4299 2.038795 3.062114 
1 1 1   -6   55   18 o   16.165   1.7326  272.428   52.368  302.628   71.765  238.029   76.590   17.328   2.1335   15.002   2.7306 2.326400 3.465285 
1 1 1   -6   55   19 o   15.737   1.8789  259.293   56.238  252.510   79.366  266.133   79.701   15.401   2.7559   16.072   2.5546 -0.6713171 3.757772 
1 1 1   -6   55   20 o   19.390   1.5041  388.724   55.535  426.638   74.395  341.005   83.462   20.581   1.8621   18.200   2.3625 2.381609 3.008113 
1 1 1   -6   55   21 o   17.818   2.0616  325.437   67.902  453.716  110.882  248.465   85.891   20.676   2.7626   14.959   3.0610 5.716968 4.123293 
1 1 1   -6   56    1 o   10.740   2.9424  117.912   63.154  117.912   63.154   0.0000   0.0000   10.740   2.9424  ?   ?       ?      ? 
1 1 1   -6   56    2 o   24.636   1.3846  591.808   66.218  591.808   66.218   0.0000   0.0000   24.636   1.3846  ?   ?       ?      ? 
1 1 1   -6   56    3 o   22.076   1.4339  475.430   61.447  475.430   61.447   0.0000   0.0000   22.076   1.4339  ?   ?       ?      ? 
1 1 1   -6   56    4 o   33.342   1.1033  1082.32   71.407  1082.32   71.407   0.0000   0.0000   33.342   1.1033  ?   ?       ?      ? 
1 1 1   -6   56    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   56    6 o   10.363   2.9614  109.452   62.547  109.452   62.547   0.0000   0.0000   10.363   2.9614  ?   ?       ?      ? 
1 1 1   -6   56    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   56    8 o   34.509   1.0692  1159.97   71.621  1159.97   71.621   0.0000   0.0000   34.509   1.0692  ?   ?       ?      ? 
1 1 1   -6   56    9 o   23.175   1.4451  524.887   65.012  524.887   65.012   0.0000   0.0000   23.175   1.4451  ?   ?       ?      ? 
1 1 1   -6   56   10 o   23.191   1.3679  525.564   61.581  525.564   61.581   0.0000   0.0000   23.191   1.3679  ?   ?       ?      ? 
1 1 1   -6   56   11 o   32.343   1.0890  1020.34   68.369  1020.34   68.369   0.0000   0.0000   32.343   1.0890  ?   ?       ?      ? 
1 1 1   -6   56   12 o   30.893   1.1576  932.330   69.422  932.330   69.422   0.0000   0.0000   30.893   1.1576  ?   ?       ?      ? 
1 1 1   -6   56   13 o   15.962   1.9502  252.425   60.425  252.425   60.425   0.0000   0.0000   15.962   1.9502  ?   ?       ?      ? 
1 1 1   -6   56   14 o   9.8510   3.0292  100.390   63.557  100.390   63.557   0.0000   0.0000   9.8510   3.0292  ?   ?       ?      ? 
1 1 1   -6   56   15 o   14.681   1.6207  214.588   45.342  208.021   58.422  224.536   71.904   14.441   2.0840   14.920   2.4827 -0.4783392 3.241452 
1 1 1   -6   56   16 o   23.980   1.1315  564.855   52.020  545.790   67.937  591.877   80.880   23.524   1.4878   24.436   1.7051 -0.9121208 2.262908 
1 1 1   -6   56   17 o   36.304   0.8958  1296.65   62.884  1300.67   85.330  1291.87   93.030   36.387   1.2081   36.220   1.3231 0.1665344 1.791677 
1 1 1   -6   56   18 o   10.972   2.0629  111.579   55.862  246.721   80.760 -12.3958   77.351   15.187   2.8439   6.7572   2.9891 8.430077 4.125853 
1 1 1   -6   56   19 o   34.641   0.9556  1191.66   63.676  1225.04   85.261  1149.56   95.753   35.241   1.2464   34.042   1.4490 1.198822 1.911297 
1 1 1   -6   56   20 o   7.9489   2.4114   5.5895   64.443   71.126  109.562 -29.0773   79.684   9.4452   3.8315   6.4525   2.9291 2.992690 4.822888 
1 1 1   -6   57    1 o   11.042   2.8939  125.558   62.779  125.558   62.779   0.0000   0.0000   11.042   2.8939  ?   ?       ?      ? 
1 1 1   -6   57    2 f   7.7223   3.0011   38.376   64.529   38.376   64.529   0.0000   0.0000   7.7223   3.0011  ?   ?       ?      ? 
1 1 1   -6   57    3 o   26.309   1.3851  675.600   70.738  675.600   70.738   0.0000   0.0000   26.309   1.3851  ?   ?       ?      ? 
1 1 1   -6   57    4 o   14.885   1.9687  217.538   56.883  217.538   56.883   0.0000   0.0000   14.885   1.9687  ?   ?       ?      ? 
1 1 1   -6   57    5 o   21.697   1.4756  459.973   62.148  459.973   62.148   0.0000   0.0000   21.697   1.4756  ?   ?       ?      ? 
1 1 1   -6   57    6 o   44.044   0.9200  1887.89   78.655  1887.89   78.655   0.0000   0.0000   44.044   0.9200  ?   ?       ?      ? 
1 1 1   -6   57    7 o   9.7605   2.9004   96.540   58.973   96.540   58.973   0.0000   0.0000   9.7605   2.9004  ?   ?       ?      ? 
1 1 1   -6   57    8 o   20.011   1.4816  391.715   57.552  391.715   57.552   0.0000   0.0000   20.011   1.4816  ?   ?       ?      ? 
1 1 1   -6   57    9 o   18.579   1.6964  338.834   61.181  338.834   61.181   0.0000   0.0000   18.579   1.6964  ?   ?       ?      ? 
1 1 1   -6   57   10 o   11.391   2.8903  135.596   64.017  135.596   64.017   0.0000   0.0000   11.391   2.8903  ?   ?       ?      ? 
1 1 1   -6   57   11 o   12.776   2.6377  169.505   63.245  169.505   63.245   0.0000   0.0000   12.776   2.6377  ?   ?       ?      ? 
1 1 1   -6   57   12 o   31.802   1.1054  988.455   68.241  988.455   68.241   0.0000   0.0000   31.802   1.1054  ?   ?       ?      ? 
1 1 1   -6   57   13 o   25.624   1.3492  644.489   67.109  644.489   67.109   0.0000   0.0000   25.624   1.3492  ?   ?       ?      ? 
1 1 1   -6   57   14 o   12.593   2.6194  166.042   61.948  166.042   61.948   0.0000   0.0000   12.593   2.6194  ?   ?       ?      ? 
1 1 1   -6   57   15 o   15.186   1.6756  236.376   47.794  198.379   66.679  276.527   68.543   13.766   2.5903   16.607   2.1263 -2.840572 3.351223 
1 1 1   -6   57   16 o   36.769   0.8614  1324.09   60.928  1297.78   80.576  1359.22   93.105   36.371   1.1413   37.167   1.2905 -0.7958336 1.722730 
1 1 1   -6   57   17 o   10.557   1.9906  118.849   50.724  209.300   67.443   1.0434   76.968   14.086   2.5608   7.0288   3.0483 7.057380 3.981147 
1 1 1   -6   57   18 o   13.217   2.1387  191.297   53.596  186.472   73.379  196.813   78.469   13.062   2.9621   13.372   3.0857 -0.3096933 4.277358 
1 1 1   -6   57   19 o   19.507   1.5811  394.786   59.037  418.749   78.992  364.462   88.859   20.291   2.0055   18.723   2.4448 1.567736 3.162140 
1 1 1   -6   58    1 o   7.0645   2.8989   18.343   63.618   18.343   63.618   0.0000   0.0000   7.0645   2.8989  ?   ?       ?      ? 
1 1 1   -6   58    2 o   16.277   1.8955  260.164   59.891  260.164   59.891   0.0000   0.0000   16.277   1.8955  ?   ?       ?      ? 
1 1 1   -6   58    3 o   13.986   2.5673  199.733   67.133  199.733   67.133   0.0000   0.0000   13.986   2.5673  ?   ?       ?      ? 
1 1 1   -6   58    4 o   7.8151   2.9714   44.319   62.306   44.319   62.306   0.0000   0.0000   7.8151   2.9714  ?   ?       ?      ? 
1 1 1   -6   58    5 o   34.585   1.0737  1165.64   72.080  1165.64   72.080   0.0000   0.0000   34.585   1.0737  ?   ?       ?      ? 
1 1 1   -6   58    6 o   8.3470   3.0290   58.922   63.333   58.922   63.333   0.0000   0.0000   8.3470   3.0290  ?   ?       ?      ? 
1 1 1   -6   58    7 o   19.249   1.6671  363.629   62.292  363.629   62.292   0.0000   0.0000   19.249   1.6671  ?   ?       ?      ? 
1 1 1   -6   58    8 o   8.4896   2.9380   66.686   58.980   66.686   58.980   0.0000   0.0000   8.4896   2.9380  ?   ?       ?      ? 
1 1 1   -6   58    9 o   34.046   1.0925  1131.60   72.204  1131.60   72.204   0.0000   0.0000   34.046   1.0925  ?   ?       ?      ? 
1 1 1   -6   58   10 o   9.0912   3.0729   79.982   64.439   79.982   64.439   0.0000   0.0000   9.0912   3.0729  ?   ?       ?      ? 
1 1 1   -6   58   11 o   16.602   1.8095  272.748   58.315  272.748   58.315   0.0000   0.0000   16.602   1.8095  ?   ?       ?      ? 
1 1 1   -6   58   12 o   16.547   2.0110  272.461   64.595  272.461   64.595   0.0000   0.0000   16.547   2.0110  ?   ?       ?      ? 
1 1 1   -6   58   13 o   15.846   2.0078  250.156   61.760  250.156   61.760   0.0000   0.0000   15.846   2.0078  ?   ?       ?      ? 
1 1 1   -6   58   14 o   14.872   2.3411  223.404   67.587  223.404   67.587   0.0000   0.0000   14.872   2.3411  ?   ?       ?      ? 
1 1 1   -6   58   15 o   8.9179   2.1747   77.401   45.713   65.246   62.210   91.668   67.397   8.3767   3.0072   9.4591   3.1422 -1.082476 4.349312 
1 1 1   -6   58   16 o   15.380   1.7704  256.729   49.079  331.912   67.326  171.470   71.695   18.194   1.9062   12.565   2.9839 5.629496 3.540795 
1 1 1   -6   58   17 o   19.191   1.4799  367.338   54.688  319.309   72.308  431.531   83.595   17.746   2.0990   20.635   2.0869 -2.889204 2.959884 
1 1 1   -6   58   18 o   28.695   1.0981  819.247   60.684  802.579   80.573  841.093   92.246   28.404   1.4613   28.986   1.6394 -0.5825043 2.196159 
1 1 1   -6   59    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -6   59    2 o   10.812   2.9998  121.018   65.173  121.018   65.173   0.0000   0.0000   10.812   2.9998  ?   ?       ?      ? 
1 1 1   -6   59    3 f   28.148   1.2525  773.818   68.436  773.818   68.436   0.0000   0.0000   28.148   1.2525  ?   ?       ?      ? 
1 1 1   -6   59    4 o   9.5761   3.0261   91.670   62.961   91.670   62.961   0.0000   0.0000   9.5761   3.0261  ?   ?       ?      ? 
1 1 1   -6   59    5 o   10.241   2.9371  108.286   61.417  108.286   61.417   0.0000   0.0000   10.241   2.9371  ?   ?       ?      ? 
1 1 1   -6   59    6 o   24.412   1.4298  583.936   67.754  583.936   67.754   0.0000   0.0000   24.412   1.4298  ?   ?       ?      ? 
1 1 1   -6   59    7 o   21.353   1.5866  448.065   65.765  448.065   65.765   0.0000   0.0000   21.353   1.5866  ?   ?       ?      ? 
1 1 1   -6   59    8 o   19.318   1.6342  367.337   61.281  367.337   61.281   0.0000   0.0000   19.318   1.6342  ?   ?       ?      ? 
1 1 1   -6   59    9 o   14.380   2.1209  205.914   59.202  205.914   59.202   0.0000   0.0000   14.380   2.1209  ?   ?       ?      ? 
1 1 1   -6   59   10 o   8.4141   3.0121   64.071   62.375   64.071   62.375   0.0000   0.0000   8.4141   3.0121  ?   ?       ?      ? 
1 1 1   -6   59   11 o   21.078   1.6867  438.901   69.011  438.901   69.011   0.0000   0.0000   21.078   1.6867  ?   ?       ?      ? 
1 1 1   -6   59   12 o   33.258   1.0891  1082.24   70.309  1082.24   70.309   0.0000   0.0000   33.258   1.0891  ?   ?       ?      ? 
1 1 1   -6   59   13 o   16.591   2.0256  275.520   65.239  275.520   65.239   0.0000   0.0000   16.591   2.0256  ?   ?       ?      ? 
1 1 1   -6   59   14 o   6.9602   2.8692   21.416   62.670   21.416   62.670   0.0000   0.0000   6.9602   2.8692  ?   ?       ?      ? 
1 1 1   -6   59   15 o   9.9278   3.1308  104.812   67.417  104.812   67.417   0.0000   0.0000   9.9278   3.1308  ?   ?       ?      ? 
1 1 1   -6   59   16 o   9.7659   2.2579   89.170   50.098   49.608   63.709  153.267   81.093   7.8095   2.9962   11.722   3.3787 -3.912886 4.515817 
1 1 1   -6   59   17 f   6.9886   2.0977   7.3474   49.559 -18.2171   64.797   43.380   76.928   6.0036   2.6906   7.9736   3.2189 -1.970042 4.195324 
1 1 1   -6   60    1 o   6.5576   2.8542  -7.6230   67.965  -7.6230   67.965   0.0000   0.0000   6.5576   2.8542  ?   ?       ?      ? 
1 1 1   -6   60    2 o   16.675   1.9980  275.116   64.674  275.116   64.674   0.0000   0.0000   16.675   1.9980  ?   ?       ?      ? 
1 1 1   -6   60    3 o   6.2122   2.7171 -10.0475   62.266 -10.0475   62.266   0.0000   0.0000   6.2122   2.7171  ?   ?       ?      ? 
1 1 1   -6   60    4 f   15.598   2.0035  240.924   60.661  240.924   60.661   0.0000   0.0000   15.598   2.0035  ?   ?       ?      ? 
1 1 1   -6   60    5 o   19.914   1.6486  390.385   63.730  390.385   63.730   0.0000   0.0000   19.914   1.6486  ?   ?       ?      ? 
1 1 1   -6   60    6 o   12.016   2.7287  151.255   62.195  151.255   62.195   0.0000   0.0000   12.016   2.7287  ?   ?       ?      ? 
1 1 1   -6   60    7 o   31.222   1.1577  953.581   70.164  953.581   70.164   0.0000   0.0000   31.222   1.1577  ?   ?       ?      ? 
1 1 1   -6   60    8 o   21.539   1.4899  456.461   62.292  456.461   62.292   0.0000   0.0000   21.539   1.4899  ?   ?       ?      ? 
1 1 1   -6   60    9 o   23.162   1.4904  527.890   67.007  527.890   67.007   0.0000   0.0000   23.162   1.4904  ?   ?       ?      ? 
1 1 1   -6   60   10 o   9.7710   3.0334   98.741   63.561   98.741   63.561   0.0000   0.0000   9.7710   3.0334  ?   ?       ?      ? 
1 1 1   -6   60   11 f   26.296   1.2647  678.838   64.560  678.838   64.560   0.0000   0.0000   26.296   1.2647  ?   ?       ?      ? 
1 1 1   -6   60   12 o   5.5720   2.5678 -43.0439   64.360 -43.0439   64.360   0.0000   0.0000   5.5720   2.5678  ?   ?       ?      ? 
1 1 1   -6   60   13 o   15.826   2.0687  251.991   63.552  251.991   63.552   0.0000   0.0000   15.826   2.0687  ?   ?       ?      ? 
1 1 1   -6   60   14 o   21.408   1.7092  456.843   71.030  456.843   71.030   0.0000   0.0000   21.408   1.7092  ?   ?       ?      ? 
1 1 1   -6   60   15 o   13.224   2.4225  184.502   59.896  184.502   59.896   0.0000   0.0000   13.224   2.4225  ?   ?       ?      ? 
1 1 1   -6   60   16 o   13.681   2.4340  198.471   64.951  305.412  105.689  133.573   82.333   16.443   3.4225   10.918   3.4616 5.524331 4.867902 
1 1 1   -6   61    1 o   12.226   2.6487  156.230   61.042  156.230   61.042   0.0000   0.0000   12.226   2.6487  ?   ?       ?      ? 
1 1 1   -6   61    2 o   14.490   2.2674  209.832   63.776  209.832   63.776   0.0000   0.0000   14.490   2.2674  ?   ?       ?      ? 
1 1 1   -6   61    3 o   23.507   1.5321  543.705   69.909  543.705   69.909   0.0000   0.0000   23.507   1.5321  ?   ?       ?      ? 
1 1 1   -6   61    4 o   20.334   1.7377  408.609   68.592  408.609   68.592   0.0000   0.0000   20.334   1.7377  ?   ?       ?      ? 
1 1 1   -6   61    5 o   14.243   2.3067  203.363   63.775  203.363   63.775   0.0000   0.0000   14.243   2.3067  ?   ?       ?      ? 
1 1 1   -6   61    6 o   8.0462   2.9724   54.698   61.391   54.698   61.391   0.0000   0.0000   8.0462   2.9724  ?   ?       ?      ? 
1 1 1   -6   61    7 o   17.019   2.0157  288.288   66.595  288.288   66.595   0.0000   0.0000   17.019   2.0157  ?   ?       ?      ? 
1 1 1   -6   61    8 o   21.369   1.6435  450.955   68.172  450.955   68.172   0.0000   0.0000   21.369   1.6435  ?   ?       ?      ? 
1 1 1   -6   61    9 o   16.670   2.0401  277.577   66.017  277.577   66.017   0.0000   0.0000   16.670   2.0401  ?   ?       ?      ? 
1 1 1   -6   61   10 o   8.2554   2.9555   62.716   60.055   62.716   60.055   0.0000   0.0000   8.2554   2.9555  ?   ?       ?      ? 
1 1 1   -6   61   11 o   10.352   3.1566  114.246   69.192  114.246   69.192   0.0000   0.0000   10.352   3.1566  ?   ?       ?      ? 
1 1 1   -6   61   12 o   9.8646   3.0340  103.392   63.755  103.392   63.755   0.0000   0.0000   9.8646   3.0340  ?   ?       ?      ? 
1 1 1   -6   61   13 o   17.855   2.0156  321.260   69.858  321.260   69.858   0.0000   0.0000   17.855   2.0156  ?   ?       ?      ? 
1 1 1   -6   61   14 o   6.6188   2.7903   13.195   61.270   13.195   61.270   0.0000   0.0000   6.6188   2.7903  ?   ?       ?      ? 
1 1 1   -6   61   15 o   11.268   2.9711  140.674   65.913  140.674   65.913   0.0000   0.0000   11.268   2.9711  ?   ?       ?      ? 
1 1 1   -6   62    1 o   13.775   2.5331  196.874   65.241  196.874   65.241   0.0000   0.0000   13.775   2.5331  ?   ?       ?      ? 
1 1 1   -6   62    2 o   11.041   2.8241  128.780   60.769  128.780   60.769   0.0000   0.0000   11.041   2.8241  ?   ?       ?      ? 
1 1 1   -6   62    3 o   10.538   2.9906  117.046   64.017  117.046   64.017   0.0000   0.0000   10.538   2.9906  ?   ?       ?      ? 
1 1 1   -6   62    4 o   35.395   1.1128  1225.49   76.462  1225.49   76.462   0.0000   0.0000   35.395   1.1128  ?   ?       ?      ? 
1 1 1   -6   62    5 o   11.702   2.8269  144.966   63.495  144.966   63.495   0.0000   0.0000   11.702   2.8269  ?   ?       ?      ? 
1 1 1   -6   62    6 f   11.633   2.9092  144.004   65.524  144.004   65.524   0.0000   0.0000   11.633   2.9092  ?   ?       ?      ? 
1 1 1   -6   62    7 f   6.0172   2.6527 -12.1160   60.412 -12.1160   60.412   0.0000   0.0000   6.0172   2.6527  ?   ?       ?      ? 
1 1 1   -6   62    8 f   20.347   1.5762  409.389   62.257  409.389   62.257   0.0000   0.0000   20.347   1.5762  ?   ?       ?      ? 
1 1 1   -6   62    9 o   19.605   1.7739  382.506   67.509  382.506   67.509   0.0000   0.0000   19.605   1.7739  ?   ?       ?      ? 
1 1 1   -6   62   10 o   4.4472   2.1923 -137.8627   67.629 -137.8627   67.629   0.0000   0.0000   4.4472   2.1923  ?   ?       ?      ? 
1 1 1   -6   62   11 f   12.340   2.7946  163.722   65.388  163.722   65.388   0.0000   0.0000   12.340   2.7946  ?   ?       ?      ? 
1 1 1   -6   62   12 o   16.196   2.2723  267.370   71.437  267.370   71.437   0.0000   0.0000   16.196   2.2723  ?   ?       ?      ? 
1 1 1   -6   62   13 o   8.9021   3.0606   80.860   63.952   80.860   63.952   0.0000   0.0000   8.9021   3.0606  ?   ?       ?      ? 
1 1 1   -6   62   14 o   8.3842   3.0520   67.782   64.372   67.782   64.372   0.0000   0.0000   8.3842   3.0520  ?   ?       ?      ? 
1 1 1   -6   63    1 o   24.160   1.4890  575.355   69.833  575.355   69.833   0.0000   0.0000   24.160   1.4890  ?   ?       ?      ? 
1 1 1   -6   63    2 o   36.403   1.0774  1296.76   76.132  1296.76   76.132   0.0000   0.0000   36.403   1.0774  ?   ?       ?      ? 
1 1 1   -6   63    3 o   18.315   1.8307  333.396   65.089  333.396   65.089   0.0000   0.0000   18.315   1.8307  ?   ?       ?      ? 
1 1 1   -6   63    4 o   17.884   1.9007  318.644   65.986  318.644   65.986   0.0000   0.0000   17.884   1.9007  ?   ?       ?      ? 
1 1 1   -6   63    5 o   6.1230   2.7199 -16.6743   64.689 -16.6743   64.689   0.0000   0.0000   6.1230   2.7199  ?   ?       ?      ? 
1 1 1   -6   63    6 o   8.1693   2.9737   59.878   61.110   59.878   61.110   0.0000   0.0000   8.1693   2.9737  ?   ?       ?      ? 
1 1 1   -6   63    7 o   4.5762   2.2249 -103.0625   62.740 -103.0625   62.740   0.0000   0.0000   4.5762   2.2249  ?   ?       ?      ? 
1 1 1   -6   63    8 o   13.332   2.7513  189.385   68.843  189.385   68.843   0.0000   0.0000   13.332   2.7513  ?   ?       ?      ? 
1 1 1   -6   63    9 o   21.718   1.6790  469.377   70.784  469.377   70.784   0.0000   0.0000   21.718   1.6790  ?   ?       ?      ? 
1 1 1   -6   63   10 o   7.9820   2.9572   56.421   60.853   56.421   60.853   0.0000   0.0000   7.9820   2.9572  ?   ?       ?      ? 
1 1 1   -6   63   11 o   10.998   3.0123  132.534   66.204  132.534   66.204   0.0000   0.0000   10.998   3.0123  ?   ?       ?      ? 
1 1 1   -6   63   12 o   8.8026   3.0863   78.140   65.185   78.140   65.185   0.0000   0.0000   8.8026   3.0863  ?   ?       ?      ? 
1 1 1   -6   63   13 o   14.154   2.5747  214.971   68.133  214.971   68.133   0.0000   0.0000   14.154   2.5747  ?   ?       ?      ? 
1 1 1   -6   64    1 o   5.2555   2.4660 -59.0804   63.712 -59.0804   63.712   0.0000   0.0000   5.2555   2.4660  ?   ?       ?      ? 
1 1 1   -6   64    2 o   15.912   2.2190  255.583   68.538  255.583   68.538   0.0000   0.0000   15.912   2.2190  ?   ?       ?      ? 
1 1 1   -6   64    3 o   25.254   1.4183  629.274   69.530  629.274   69.530   0.0000   0.0000   25.254   1.4183  ?   ?       ?      ? 
1 1 1   -6   64    4 o   45.165   0.9854  1995.99   86.396  1995.99   86.396   0.0000   0.0000   45.165   0.9854  ?   ?       ?      ? 
1 1 1   -6   64    5 o   7.7778   3.0115   45.946   64.790   45.946   64.790   0.0000   0.0000   7.7778   3.0115  ?   ?       ?      ? 
1 1 1   -6   64    6 f   20.975   1.6880  437.724   68.729  437.724   68.729   0.0000   0.0000   20.975   1.6880  ?   ?       ?      ? 
1 1 1   -6   64    7 o   9.3878   3.1128   91.150   66.152   91.150   66.152   0.0000   0.0000   9.3878   3.1128  ?   ?       ?      ? 
1 1 1   -6   64    8 o   7.8589   3.0586   47.205   67.099   47.205   67.099   0.0000   0.0000   7.8589   3.0586  ?   ?       ?      ? 
1 1 1   -6   64    9 o   15.445   2.2342  243.113   66.984  243.113   66.984   0.0000   0.0000   15.445   2.2342  ?   ?       ?      ? 
1 1 1   -6   64   10 f   7.1177   2.9596   22.620   67.503   22.620   67.503   0.0000   0.0000   7.1177   2.9596  ?   ?       ?      ? 
1 1 1   -6   64   11 o   7.0868   2.9520   22.839   67.327   22.839   67.327   0.0000   0.0000   7.0868   2.9520  ?   ?       ?      ? 
1 1 1   -6   64   12 o   13.126   2.8237  189.066   69.814  189.066   69.814   0.0000   0.0000   13.126   2.8237  ?   ?       ?      ? 
1 1 1   -6   65    1 o   28.113   1.3178  779.138   71.913  779.138   71.913   0.0000   0.0000   28.113   1.3178  ?   ?       ?      ? 
1 1 1   -6   65    2 o   10.848   2.9537  127.422   63.874  127.422   63.874   0.0000   0.0000   10.848   2.9537  ?   ?       ?      ? 
1 1 1   -6   65    3 f   8.8939   3.1129   77.943   66.300   77.943   66.300   0.0000   0.0000   8.8939   3.1129  ?   ?       ?      ? 
1 1 1   -6   65    4 o   11.176   3.0620  136.217   68.391  136.217   68.391   0.0000   0.0000   11.176   3.0620  ?   ?       ?      ? 
1 1 1   -6   65    5 o   17.815   1.8846  318.441   65.171  318.441   65.171   0.0000   0.0000   17.815   1.8846  ?   ?       ?      ? 
1 1 1   -6   65    6 o   9.7063   3.1335   99.970   67.232   99.970   67.232   0.0000   0.0000   9.7063   3.1335  ?   ?       ?      ? 
1 1 1   -6   65    7 o   10.756   2.9088  126.218   62.196  126.218   62.196   0.0000   0.0000   10.756   2.9088  ?   ?       ?      ? 
1 1 1   -6   65    8 o   10.810   2.8936  127.989   61.922  127.989   61.922   0.0000   0.0000   10.810   2.8936  ?   ?       ?      ? 
1 1 1   -6   65    9 o   16.147   2.2386  267.736   70.169  267.736   70.169   0.0000   0.0000   16.147   2.2386  ?   ?       ?      ? 
1 1 1   -6   65   10 o   21.929   1.6682  482.555   71.012  482.555   71.012   0.0000   0.0000   21.929   1.6682  ?   ?       ?      ? 
1 1 1   -6   66    1 o   18.554   1.9430  346.973   69.982  346.973   69.982   0.0000   0.0000   18.554   1.9430  ?   ?       ?      ? 
1 1 1   -6   66    2 o   22.359   1.5566  497.220   67.558  497.220   67.558   0.0000   0.0000   22.359   1.5566  ?   ?       ?      ? 
1 1 1   -6   66    3 o   17.067   1.9436  293.744   64.392  293.744   64.392   0.0000   0.0000   17.067   1.9436  ?   ?       ?      ? 
1 1 1   -6   66    4 o   25.584   1.3818  648.078   68.621  648.078   68.621   0.0000   0.0000   25.584   1.3818  ?   ?       ?      ? 
1 1 1   -6   66    5 o   10.874   3.0360  130.381   66.538  130.381   66.538   0.0000   0.0000   10.874   3.0360  ?   ?       ?      ? 
1 1 1   -6   66    6 o   6.6819   2.8528   9.7298   65.432   9.7298   65.432   0.0000   0.0000   6.6819   2.8528  ?   ?       ?      ? 
1 1 1   -6   66    7 o   11.389   2.9356  143.665   65.309  143.665   65.309   0.0000   0.0000   11.389   2.9356  ?   ?       ?      ? 
1 1 1   -6   66    8 o   5.6562   2.6062 -39.0159   66.261 -39.0159   66.261   0.0000   0.0000   5.6562   2.6062  ?   ?       ?      ? 
1 1 1   -6   67    1 o   9.0017   3.2397   81.300   72.245   81.300   72.245   0.0000   0.0000   9.0017   3.2397  ?   ?       ?      ? 
1 1 1   -6   67    2 o   7.9816   3.1558   48.903   72.397   48.903   72.397   0.0000   0.0000   7.9816   3.1558  ?   ?       ?      ? 
1 1 1   -6   67    3 o   5.4973   2.5957 -68.1924   72.575 -68.1924   72.575   0.0000   0.0000   5.4973   2.5957  ?   ?       ?      ? 
1 1 1   -6   67    4 o   33.022   1.2233  1077.55   78.415  1077.55   78.415   0.0000   0.0000   33.022   1.2233  ?   ?       ?      ? 
1 1 1   -6   67    5 o   15.780   2.3694  258.266   72.580  258.266   72.580   0.0000   0.0000   15.780   2.3694  ?   ?       ?      ? 
1 1 1   -5    0    1 o  271.625   2.4432 71646.08  1287.36 70741.78  1793.84 72606.44  1848.61  269.859   3.4256  273.390   3.4846 -0.000000 0.000000 
1 1 1   -5    0    2 f  187.811   2.0872 34682.67  718.582 35576.71  888.178 32988.54  1222.62  191.392   2.3915  184.229   3.4214 -0.000000 0.000000 
1 1 1   -5    0    3 o   78.970   0.9000  6052.20  137.806  6225.47  199.014  5892.60  191.008   80.055   1.2814   77.885   1.2641 -0.000000 0.000000 
1 1 1   -5    0    4 o  513.192   2.8601 255794.59  2848.36 257558.00  4069.48 254101.00  3988.12  514.923   4.0719  511.460   4.0175 -0.000000 0.000000 
1 1 1   -5    0    5 o  270.164   2.4479 70918.28  1283.28 71145.62  1811.46 70689.25  1818.21  270.600   3.4498  269.728   3.4739 -0.000000 0.000000 
1 1 1   -5    0    6 o  217.607   2.4146 46037.00  1019.26 46827.39  1441.48 45246.66  1441.44  219.479   3.3852  215.734   3.4440 -0.000000 0.000000 
1 1 1   -5    0    7 o   76.010   2.4520  5650.40  359.829  5710.40  501.333  5586.66  516.768   76.440   3.3938   75.579   3.5400 -0.000000 0.000000 
1 1 1   -5    0    8 o   89.067   2.4571  7735.21  423.161  7524.81  587.945  7961.33  609.518   87.808   3.4616   90.327   3.4880 -0.000000 0.000000 
1 1 1   -5    0    9 o   37.875   3.4069  1489.69  228.115  1141.80  325.813  1824.21  319.488   32.949   5.5725   42.801   3.9210 -0.000000 0.000000 
1 1 1   -5    0   10 o   41.150   3.0110  1656.68  205.881  1612.33  239.490  1782.26  403.012   40.397   3.0958   41.902   5.1654 -0.000000 0.000000 
1 1 1   -5    0   11 o  125.071   1.9619 14933.57  353.273 14800.53  385.857 15622.99  878.368  123.450   1.6108  126.692   3.5780 -0.000000 0.000000 
1 1 1   -5    0   12 o  101.958   2.0435 10001.76  268.296  9963.21  286.858 10271.06  758.166  101.282   1.4597  102.634   3.8174 -0.000000 0.000000 
1 1 1   -5    0   13 o   19.089   4.3002  540.365   54.400  545.932   54.905  241.561  402.238   23.624   1.2044   14.554   8.5157 -0.000000 0.000000 
1 1 1   -5    0   14 o  281.556   2.2804 76504.82  1100.59 75946.05  1282.06 78070.18  2145.84  279.666   2.3620  283.446   3.9016 -0.000000 0.000000 
1 1 1   -5    0   15 o  360.433   2.3992 126086.90  1516.27 125943.80  1793.61 126445.40  2838.52  360.138   2.5659  360.728   4.0548 -0.000000 0.000000 
1 1 1   -5    0   16 o   39.500   4.3549  1875.80  101.490  1896.77  103.604  1377.69  504.971   44.155   1.2108   34.844   8.6252 -0.000000 0.000000 
1 1 1   -5    0   17 o  147.535   2.4321 20814.14  551.792 20584.94  613.705 21781.24  1260.63  145.559   2.1731  149.512   4.3519 -0.000000 0.000000 
1 1 1   -5    0   18 o   50.264   3.8110  2809.91  128.486  2833.57  131.280  2271.68  626.118   53.984   1.2543   46.545   7.5180 -0.000000 0.000000 
1 1 1   -5    0   19 f  114.551   2.5044 13157.39  359.117 13275.71  383.536 12315.98  1022.80  116.897   1.6910  112.205   4.7148 -0.000000 0.000000 
1 1 1   -5    0   20 o   73.489   3.1246  4911.53  189.168  4870.40  193.620  5775.10  887.228   70.784   1.4104   76.194   6.0880 -0.000000 0.000000 
1 1 1   -5    0   21 o   42.680   5.4736  2285.38  122.235  2307.75  124.304  1630.11  672.747   48.699   1.3171   36.660   10.868 -0.000000 0.000000 
1 1 1   -5    0   22 o   15.042   4.4369  330.285   98.642  350.866   99.483 -871.8563  760.315   18.275   3.0629   11.810   8.3284 -0.000000 0.000000 
1 1 1   -5    0   23 o   27.343   4.2797  1696.19  122.718  1768.01  124.604 -623.4105  708.128   42.585   1.5117   12.101   8.4249 -0.000000 0.000000 
1 1 1   -5    0   24 o   59.445   4.4460  3627.91  169.891  3631.39  172.884  3530.17  916.922   61.093   1.4597   57.796   8.7713 -0.000000 0.000000 
1 1 1   -5    0   25 o  126.665   3.0629 16128.71  503.002 16270.31  540.534 15213.94  1373.84  129.303   2.1549  124.026   5.7342 -0.000000 0.000000 
1 1 1   -5    0   26 o   52.208   5.2935  2356.92  150.540  2332.99  152.240  3410.66  1010.32   48.919   1.6071   55.498   10.464 -0.000000 0.000000 
1 1 1   -5    0   27 f   76.713   1.6461  5728.33  244.869  5728.33  244.869   0.0000   0.0000   76.713   1.6461   76.713   1.6461 -0.000000 0.000000 
1 1 1   -5    0   28 o   32.438   2.1063  1037.15  131.344  1037.15  131.344   0.0000   0.0000   32.438   2.1063   32.438   2.1063 -0.000000 0.000000 
1 1 1   -5    0   29 o   29.126   2.3466  843.786  130.694  843.786  130.694   0.0000   0.0000   29.126   2.3466   29.126   2.3466 -0.000000 0.000000 
1 1 1   -5    0   30 o   15.908   4.6806  307.101  125.600  307.101  125.600   0.0000   0.0000   15.908   4.6806   15.908   4.6806 -0.000000 0.000000 
1 1 1   -5    0   31 o   7.3553   4.5719   41.343  131.341   41.343  131.341   0.0000   0.0000   7.3553   4.5719   7.3553   4.5719 -0.000000 0.000000 
1 1 1   -5    0   32 o   48.110   1.7618  2274.60  164.037  2274.60  164.037   0.0000   0.0000   48.110   1.7618   48.110   1.7618 -0.000000 0.000000 
1 1 1   -5    0   33 o   19.538   4.0398  430.515  135.237  430.515  135.237   0.0000   0.0000   19.538   4.0398   19.538   4.0398 -0.000000 0.000000 
1 1 1   -5    0   34 o   31.159   2.5417  986.995  151.376  986.995  151.376   0.0000   0.0000   31.159   2.5417   31.159   2.5417 -0.000000 0.000000 
1 1 1   -5    0   35 o   22.238   3.6009  546.085  143.222  546.085  143.222   0.0000   0.0000   22.238   3.6009   22.238   3.6009 -0.000000 0.000000 
1 1 1   -5    1    1 o  232.128   1.6946 52315.81  763.598 52064.90  1076.35 52570.05  1083.47  231.568   2.3945  232.688   2.3987 -1.120499 3.389289 
1 1 1   -5    1    2 o   33.240   0.3787  1072.49   23.358  1072.67   29.039  1072.17   39.312   33.244   0.4500   33.236   0.6093 0.7812500E-02 0.7574743 
1 1 1   -5    1    3 o  302.638   1.7510 88910.18  1028.50 87705.05  1438.10 90171.95  1471.51  300.540   2.4650  304.736   2.4876 -4.196198 3.502041 
1 1 1   -5    1    4 o  581.826   2.1309 328694.91  2405.47 325884.31  3342.17 331715.59  3464.85  579.251   2.9723  584.400   3.0543 -5.148438 4.261852 
1 1 1   -5    1    5 o  417.130   1.8955 168977.59  1534.63 170266.09  2189.78 167734.00  2151.32  418.691   2.6943  415.569   2.6668 3.121948 3.790923 
1 1 1   -5    1    6 o  103.728   1.6595 10451.60  334.144 10430.43  472.337 10472.81  472.766  103.622   2.3482  103.833   2.3456 -0.2104340 3.318980 
1 1 1   -5    1    7 o  117.036   1.6808 13306.89  381.806 13623.52  542.235 12995.53  537.703  118.417   2.3589  115.654   2.3951 2.763229 3.361643 
1 1 1   -5    1    8 o  100.865   2.1548  9847.06  393.024 10000.59  699.272  9776.17  475.180  101.413   3.5521  100.318   2.4401 1.095451 4.309505 
1 1 1   -5    1    9 o  213.398   1.7616 44234.99  729.695 43761.91  1029.21 44713.14  1034.70  212.250   2.4980  214.545   2.4845 -2.295349 3.523134 
1 1 1   -5    1   10 o  299.283   1.6394 86949.09  915.357 87080.02  1522.23 86874.93  1145.62  299.439   2.6188  299.126   1.9730 0.3132019 3.278859 
1 1 1   -5    1   11 o  174.943   1.1970 29710.55  406.490 29784.73  576.518 29637.22  573.222  175.161   1.6956  174.726   1.6901 0.4341583 2.393987 
1 1 1   -5    1   12 o  224.999   1.4215 49147.78  614.315 49152.60  939.521 49144.19  811.924  225.005   2.1510  224.994   1.8590 0.1080322E-01 2.843044 
1 1 1   -5    1   13 o  108.233   2.1676 11076.22  396.138 11991.09  802.079 10781.07  455.579  111.092   3.7194  105.374   2.2272 5.718796 4.335228 
1 1 1   -5    1   14 o   88.333   1.8546  7651.66  311.831  7170.19  482.953  7995.89  408.364   85.922   2.8956   90.745   2.3182 -4.823410 3.709275 
1 1 1   -5    1   15 o  215.027   1.3773 44890.43  574.882 45170.41  817.623 44616.69  808.466  215.690   1.9528  214.364   1.9429 1.325699 2.754667 
1 1 1   -5    1   16 o  174.623   1.2957 29608.44  439.199 29832.65  620.449 29383.25  621.795  175.286   1.8234  173.960   1.8413 1.325897 2.591425 
1 1 1   -5    1   17 o  120.204   1.1595 14028.17  270.548 13863.38  380.494 14196.68  384.769  119.490   1.6404  120.918   1.6392 -1.427887 2.319062 
1 1 1   -5    1   18 o  190.967   1.3579 35423.98  503.369 35551.80  714.137 35297.77  709.627  191.309   1.9230  190.625   1.9177 0.6842957 2.715807 
1 1 1   -5    1   19 f   45.255   0.9137  1990.65   80.141  2122.33  113.388  1859.20  113.286   46.753   1.2494   43.758   1.3337 2.995277 1.827483 
1 1 1   -5    1   20 o  136.863   1.2243 18200.48  325.190 18303.69  455.793 18093.47  464.095  137.260   1.7106  136.466   1.7519 0.7936859 2.448582 
1 1 1   -5    1   21 f  125.984   1.2047 15424.97  293.696 15434.64  400.000 15413.65  432.613  126.033   1.6350  125.935   1.7697 0.9800720E-01 2.409320 
1 1 1   -5    1   22 o   57.703   0.8057  3211.60   84.328  3172.39  102.106  3295.74  149.562   57.159   0.9202   58.247   1.3228 -1.087814 1.611379 
1 1 1   -5    1   23 o  118.053   1.1161 13538.04  242.421 13518.92  298.450 13575.10  415.612  117.959   1.3034  118.147   1.8122 -0.1880798 2.232228 
1 1 1   -5    1   24 o  122.756   1.1110 14587.48  252.558 14444.62  312.539 14856.34  428.744  121.923   1.3205  123.589   1.7871 -1.666122 2.222082 
1 1 1   -5    1   25 o   70.391   0.8845  4827.88  114.099  4854.27  140.128  4775.96  196.546   70.692   1.0212   70.091   1.4446 0.6008835 1.769048 
1 1 1   -5    1   26 o   72.233   0.9387  5132.58  123.892  5256.79  152.466  4891.16  212.566   73.555   1.0678   70.911   1.5443 2.644791 1.877480 
1 1 1   -5    1   27 o   49.632   0.9823  2406.92   87.226  2424.37  104.910  2367.86  156.991   49.946   1.0821   49.319   1.6398 0.6271744 1.964659 
1 1 1   -5    1   28 o   60.761   0.9557  3589.51  105.324  3584.60  127.874  3599.88  185.726   60.723   1.0848   60.799   1.5737 -0.7582474E-01 1.911347 
1 1 1   -5    1   29 o   10.342   2.6261   52.637   63.303   9.2539   73.462  177.775  124.765   7.3111   3.0673   13.374   4.2635 -6.062714 5.252230 
1 1 1   -5    1   30 o   27.712   1.4838  810.225   69.119  879.767   81.894  638.002  128.876   30.025   1.4051   25.399   2.6139 4.625576 2.967596 
1 1 1   -5    1   31 o   25.209   1.8780  632.877   91.887  619.913  129.777  645.910  130.120   24.945   2.6801   25.474   2.6314 -0.5295238 3.755954 
1 1 1   -5    1   32 o   29.109   1.7375  853.222   97.739  790.993  141.258  910.379  135.378   28.033   2.5959   30.186   2.3103 -2.153582 3.475093 
1 1 1   -5    1   33 o   44.259   1.3479  1947.10  115.686  2070.00  165.406  1829.42  161.861   45.647   1.8667   42.871   1.9450 2.776661 2.695825 
1 1 1   -5    1   34 o   35.365   1.5860  1265.56  108.546  1136.90  150.430  1405.32  156.781   33.442   2.3173   37.287   2.1660 -3.845562 3.171992 
1 1 1   -5    1   35 o   25.157   2.1534  680.190  104.868  714.508  146.091  643.710  150.623   25.922   2.9032   24.392   3.1811 1.530136 4.306737 
1 1 1   -5    2    1 o   27.191   0.2899  717.017   15.294  699.966   21.226  735.428   22.056   26.855   0.4072   27.526   0.4128 -0.6718483 0.5798117 
1 1 1   -5    2    2 o  149.153   1.0152 21588.04  293.880 21115.09  411.357 22081.05  419.997  147.486   1.4368  150.821   1.4346 -3.335846 2.030377 
1 1 1   -5    2    3 o  338.527   1.7919 111280.40  1177.56 111354.20  1664.69 111206.50  1665.96  338.639   2.5324  338.415   2.5360 0.2248230 3.583900 
1 1 1   -5    2    4 o  196.462   1.3994 37473.74  533.675 37639.28  754.974 37308.42  754.488  196.896   1.9753  196.029   1.9828 0.8675079 2.798760 
1 1 1   -5    2    5 o  154.034   1.2652 23036.30  378.318 22981.27  535.321 23091.21  534.723  153.850   1.7925  154.218   1.7862 -0.3677521 2.530496 
1 1 1   -5    2    6 o  206.647   1.7040 41483.82  683.524 41369.31  964.984 41599.11  968.321  206.361   2.4090  206.933   2.4106 -0.5722198 3.407934 
1 1 1   -5    2    7 o  195.733   1.7080 37222.00  648.964 37149.36  915.757 37295.27  919.804  195.541   2.4126  195.924   2.4185 -0.3831329 3.416058 
1 1 1   -5    2    8 o  221.670   1.7514 47734.88  753.635 47918.59  1066.39 47551.58  1065.21  222.096   2.4735  221.243   2.4803 0.8527069 3.502849 
1 1 1   -5    2    9 o  134.109   1.7613 17467.84  458.475 17131.85  644.090 17812.94  652.760  132.802   2.4985  135.417   2.4832 -2.614792 3.522621 
1 1 1   -5    2   10 o  133.482   1.4255 17185.32  327.378 17546.12  635.060 17054.73  382.056  134.419   2.4338  132.545   1.4849 1.873871 2.851046 
1 1 1   -5    2   11 o   73.657   0.7975  5266.54  114.010  5243.97  162.389  5288.49  160.104   73.501   1.1381   73.812   1.1174 -0.3114624 1.594977 
1 1 1   -5    2   12 o  187.811   1.2434 34237.51  453.276 34656.23  645.833 33831.02  636.330  188.943   1.7609  186.680   1.7560 2.262939 2.486788 
1 1 1   -5    2   13 o  119.006   1.0551 13748.23  243.732 13721.13  344.133 13775.50  345.248  118.889   1.4911  119.124   1.4930 -0.2352905 2.110127 
1 1 1   -5    2   14 o  483.543   1.7461 227044.59  1638.98 226396.59  2311.55 227699.70  2324.23  482.850   2.4662  484.237   2.4726 -1.387024 3.492267 
1 1 1   -5    2   15 o  458.737   1.7172 204045.80  1523.69 208014.41  2262.09 200749.91  2061.50  462.804   2.5180  454.670   2.3357 8.133759 3.434494 
1 1 1   -5    2   16 o  302.164   1.4921 88627.59  875.041 86743.05  1223.06 90603.77  1252.45  298.875   2.1081  305.453   2.1123 -6.578369 2.984267 
1 1 1   -5    2   17 o  351.852   1.5759 120246.40  1076.35 120262.10  1521.41 120230.70  1522.96  351.875   2.2274  351.829   2.2299 0.4620361E-01 3.151797 
1 1 1   -5    2   18 o   41.305   0.8856  1652.48   70.917  1760.57  103.161  1555.63   97.648   42.583   1.2480   40.028   1.2567 2.555176 1.771125 
1 1 1   -5    2   19 o  154.007   1.1395 23066.42  330.639 23167.58  420.280 22902.13  535.603  154.462   1.4017  153.552   1.7969 0.9103851 2.278940 
1 1 1   -5    2   20 o  187.359   1.3583 34029.69  466.237 33863.30  570.950 34362.70  807.750  186.711   1.5753  188.007   2.2133 -1.296738 2.716651 
1 1 1   -5    2   21 o  133.196   1.0995 17123.28  272.989 16837.70  340.027 17641.15  457.891  131.662   1.3304  134.729   1.7508 -3.067505 2.198930 
1 1 1   -5    2   22 o   90.694   0.9260  8022.80  155.247  8098.32  192.650  7882.92  262.188   91.318   1.0868   90.071   1.4995 1.246140 1.851966 
1 1 1   -5    2   23 o   55.139   0.8365  2971.96   84.508  3010.54  103.963  2896.82  145.091   55.678   0.9619   54.600   1.3689 1.077423 1.673081 
1 1 1   -5    2   24 o   69.992   0.8865  4770.52  113.163  4791.44  138.282  4728.10  196.899   70.237   1.0142   69.746   1.4543 0.4909592 1.773041 
1 1 1   -5    2   25 o   37.866   0.9925  1391.42   67.592  1387.45   81.429  1400.21  121.207   37.791   1.1100   37.942   1.6457 -0.1516304 1.985029 
1 1 1   -5    2   26 o   68.578   0.9247  4566.45  116.116  4555.74  142.214  4587.89  201.112   68.475   1.0699   68.681   1.5085 -0.2054672 1.849381 
1 1 1   -5    2   27 o   62.761   0.9456  3735.62  107.258  3580.65  128.620  4089.44  194.344   60.698   1.0916   64.824   1.5444 -4.126160 1.891265 
1 1 1   -5    2   28 o   54.093   0.9845  2860.18   96.829  2884.18  118.117  2811.00  169.078   54.466   1.1172   53.720   1.6214 0.7457237 1.968997 
1 1 1   -5    2   29 o   10.517   2.7391   86.672   68.751   81.023   81.876  100.179  126.603   9.6899   3.4529   11.345   4.2530 -1.654830 5.478199 
1 1 1   -5    2   30 o   28.093   1.4212  764.131   71.864  747.097   86.278  802.724  129.866   27.645   1.6078   28.541   2.3440 -0.8961735 2.842419 
1 1 1   -5    2   31 o   27.199   1.4567  700.232   71.918  651.745   86.165  811.579  130.574   25.772   1.7223   28.625   2.3499 -2.853367 2.913461 
1 1 1   -5    2   32 o   15.646   2.4551  262.429   66.803  268.825   78.066  244.938  129.107   16.372   2.4564   14.920   4.2515 1.451336 4.910133 
1 1 1   -5    2   33 o   25.574   2.0512  671.611  101.714  644.766  144.919  697.675  142.796   25.030   2.9826   26.118   2.8166 -1.087297 4.102307 
1 1 1   -5    2   34 o   14.961   3.0421  250.957  101.663  117.231  139.957  400.335  147.921   11.288   4.4106   18.634   4.1909 -7.346881 6.084143 
1 1 1   -5    2   35 f   9.3248   2.9293   7.5321  104.964  -6.5090  138.470   26.499  160.934   8.8183   3.9439   9.8314   4.3322 -1.013174 5.858539 
1 1 1   -5    3    1 o  176.199   1.1268 30136.90  385.395 29974.63  542.787 30301.89  547.302  175.721   1.5913  176.677   1.5958 -0.9565887 2.253602 
1 1 1   -5    3    2 o  279.892   1.7322 76043.00  940.961 74862.34  1315.34 77280.55  1346.65  277.668   2.4403  282.116   2.4590 -4.448120 3.464382 
1 1 1   -5    3    3 o  326.621   1.7792 103589.80  1128.08 103812.60  1597.87 103368.40  1592.84  326.971   2.5175  326.270   2.5149 0.7001343 3.558464 
1 1 1   -5    3    4 o   70.971   0.5790  4888.44   79.763  4832.93  112.065  4945.44  113.553   70.563   0.8181   71.379   0.8195 -0.8165817 1.158004 
1 1 1   -5    3    5 o  121.431   1.1409 14316.00  268.936 14312.69  381.406 14319.27  379.270  121.417   1.6182  121.445   1.6088 -0.2812195E-01 2.281872 
1 1 1   -5    3    6 o  277.335   1.7548 74726.00  944.703 74898.54  1337.05 74554.01  1334.97  277.655   2.4807  277.016   2.4826 0.6395264 3.509581 
1 1 1   -5    3    7 o  101.785   1.6864 10065.80  333.112  9742.86  469.471 10393.24  472.729  100.140   2.4151  103.431   2.3545 -3.290962 3.372889 
1 1 1   -5    3    8 o  166.491   1.7275 26923.80  558.259 27376.02  794.312 26482.39  784.769  167.873   2.4375  165.110   2.4485 2.763290 3.454950 
1 1 1   -5    3    9 o   98.398   1.4149  9443.08  221.489  9330.77  477.876  9473.80  249.958   98.009   2.5118   98.786   1.3035 -0.7776031 2.829880 
1 1 1   -5    3   10 f  272.831   1.6074 72127.02  814.025 72800.59  1371.94 71761.05  1011.27  273.795   2.5813  271.868   1.9162 1.926788 3.214833 
1 1 1   -5    3   11 o   85.308   1.4491  6990.74  183.364  7181.48  438.160  6950.25  201.894   85.998   2.6247   84.618   1.2291 1.380569 2.898238 
1 1 1   -5    3   12 o  289.025   1.4131 81093.94  792.786 80405.45  1115.73 81796.02  1126.69  287.786   1.9972  290.263   1.9996 -2.477783 2.826184 
1 1 1   -5    3   13 o  515.205   1.7621 257752.20  1762.23 257594.20  2493.95 257909.70  2490.40  515.047   2.4945  515.363   2.4894 -0.3159180 3.524099 
1 1 1   -5    3   14 o  151.734   1.2043 22348.48  354.696 22014.68  498.646 22690.35  504.641  150.587   1.7058  152.881   1.7005 -2.293549 2.408617 
1 1 1   -5    3   15 o  156.932   1.2217 23912.21  372.137 23562.93  526.873 24259.93  525.693  155.788   1.7422  158.076   1.7132 -2.288086 2.443427 
1 1 1   -5    3   16 o  273.752   1.4674 72763.38  779.743 71980.38  1094.87 73569.28  1110.75  272.258   2.0716  275.246   2.0789 -2.988007 2.934873 
1 1 1   -5    3   17 o   50.376   0.8212  2446.92   79.919  2303.05  106.848  2629.61  120.408   48.707   1.1301   52.045   1.1918 -3.338135 1.642403 
1 1 1   -5    3   18 o  184.448   1.1946 33031.04  416.634 32995.29  531.963 33087.76  670.079  184.332   1.4867  184.563   1.8703 -0.2314148 2.389204 
1 1 1   -5    3   19 o  143.827   1.1210 20019.30  301.442 19831.40  377.574 20349.57  500.588  142.910   1.3610  144.743   1.7816 -1.832321 2.242024 
1 1 1   -5    3   20 o  130.392   1.0909 16553.73  266.289 16662.79  335.486 16368.03  437.793  130.987   1.3194  129.796   1.7376 1.191483 2.181740 
1 1 1   -5    3   21 o   98.705   0.9730  9437.02  177.968  9374.62  220.573  9553.40  301.249   98.251   1.1565   99.159   1.5650 -0.9089050 1.945993 
1 1 1   -5    3   22 o   89.699   0.9439  7757.27  156.579  7626.44  193.132  8008.21  267.467   88.615   1.1227   90.783   1.5177 -2.167786 1.887883 
1 1 1   -5    3   23 o   44.521   0.8822  1981.44   70.774  2087.28   86.723  1770.37  122.462   46.361   0.9637   42.680   1.4781 3.680569 1.764497 
1 1 1   -5    3   24 o   62.868   0.8510  3855.90   98.026  3888.99  120.463  3791.04  168.654   63.279   0.9807   62.457   1.3911 0.8222389 1.702000 
1 1 1   -5    3   25 o   55.047   0.8615  2955.27   86.560  2976.47  105.937  2912.69  150.146   55.356   0.9859   54.738   1.4131 0.6182175 1.722969 
1 1 1   -5    3   26 o   51.338   0.9400  2596.12   87.769  2662.61  107.584  2463.81  151.767   52.349   1.0587   50.327   1.5535 2.022114 1.879939 
1 1 1   -5    3   27 o   21.240   1.7289  420.241   67.933  378.030   82.595  508.500  119.433   19.684   2.1616   22.797   2.6989 -3.112534 3.457816 
1 1 1   -5    3   28 o   83.638   1.0520  6834.62  161.224  6885.14  198.111  6735.56  277.430   84.140   1.2129   83.136   1.7191 1.003334 2.103920 
1 1 1   -5    3   29 o   68.354   0.9804  4600.28  121.820  4692.29  149.044  4415.12  211.437   69.443   1.1057   67.264   1.6193 2.178909 1.960786 
1 1 1   -5    3   30 o   28.253   1.3953  784.634   71.971  787.504   88.070  778.864  124.872   28.383   1.5985   28.122   2.2874 0.2607708 2.790610 
1 1 1   -5    3   31 o   42.412   1.0833  1738.77   82.568  1702.86   99.026  1820.67  149.564   41.770   1.2213   43.054   1.7896 -1.284100 2.166571 
1 1 1   -5    3   32 o   35.442   1.2053  1215.58   77.260  1176.27   92.951  1303.45  138.961   34.629   1.3828   36.255   1.9745 -1.626022 2.410577 
1 1 1   -5    3   33 o   56.054   1.0275  3085.81  103.134  3073.44  123.867  3113.77  186.215   56.025   1.1390   56.083   1.7105 -0.5844879E-01 2.054980 
1 1 1   -5    3   34 o   24.942   1.9067  657.679   75.343  670.632   85.625  613.255  158.574   25.955   1.6995   23.929   3.4138 2.026339 3.813458 
1 1 1   -5    3   35 o   11.058   3.1558  109.727  105.990  157.396  150.271   62.536  149.517   11.967   4.5992   10.150   4.3224 1.817567 6.311527 
1 1 1   -5    4    1 o  225.857   1.5838 49607.39  686.708 50074.92  908.548 48984.40  1048.78  227.106   2.0609  224.608   2.4054 2.498474 3.167557 
1 1 1   -5    4    2 o   56.934   0.4739  3145.45   52.363  3204.41   74.749  3088.65   73.375   57.458   0.6702   56.410   0.6701 1.047363 0.9477041 
1 1 1   -5    4    3 o  119.575   0.8595 13878.09  199.502 13757.92  280.663 14000.83  283.638  119.051   1.2145  120.098   1.2166 -1.046387 1.719056 
1 1 1   -5    4    4 o  182.617   1.2359 32328.34  432.623 32075.24  567.486 32679.54  668.490  181.769   1.6083  183.466   1.8770 -1.696930 2.471835 
1 1 1   -5    4    5 o  119.261   1.0806 13807.93  250.164 13951.28  355.266 13666.95  352.323  119.875   1.5267  118.647   1.5297 1.227921 2.161244 
1 1 1   -5    4    6 o  142.139   1.6682 19626.78  460.277 19392.81  649.247 19863.20  652.627  141.287   2.3672  142.991   2.3512 -1.704117 3.336471 
1 1 1   -5    4    7 o  114.099   1.7037 12645.95  377.297 12348.21  530.168 12951.48  537.056  112.738   2.4226  115.460   2.3962 -2.722321 3.407448 
1 1 1   -5    4    8 o  391.964   1.9143 149269.59  1456.46 148707.30  2050.80 149841.80  2068.83  391.220   2.7004  392.707   2.7139 -1.487396 3.828518 
1 1 1   -5    4    9 o  307.443   1.6284 91777.38  935.711 91887.17  1549.23 91714.31  1174.05  307.560   2.5949  307.325   1.9680 0.2354736 3.256756 
1 1 1   -5    4   10 o  256.830   1.5897 64007.70  756.347 64185.82  1278.22 63911.73  938.229  257.088   2.5613  256.571   1.8838 0.5169678 3.179453 
1 1 1   -5    4   11 o  112.192   1.4442 12164.26  265.790 12324.80  552.778 12115.98  303.131  112.663   2.5276  111.721   1.3978 0.9421768 2.888314 
1 1 1   -5    4   12 o  275.920   1.3888 73910.13  743.825 74117.27  1054.72 73705.17  1049.16  276.304   1.9665  275.535   1.9615 0.7690125 2.777520 
1 1 1   -5    4   13 o  157.048   1.1828 23942.05  360.559 24132.95  512.610 23755.12  507.246  157.667   1.6749  156.428   1.6705 1.239029 2.365516 
1 1 1   -5    4   14 o  253.699   1.3889 62488.57  683.961 62580.27  971.774 62398.55  962.823  253.883   1.9718  253.514   1.9565 0.3682556 2.777759 
1 1 1   -5    4   15 o  332.551   1.4274 107334.80  913.388 107043.70  1213.28 107715.50  1387.66  332.039   1.8824  333.063   2.1463 -1.023376 2.854821 
1 1 1   -5    4   16 o  186.579   1.1994 33760.92  423.666 33626.11  541.741 33973.19  679.800  186.107   1.4996  187.051   1.8722 -0.9439545 2.398726 
1 1 1   -5    4   17 o  167.293   1.1430 27175.17  361.172 27176.47  460.461 27173.11  582.261  167.306   1.4178  167.281   1.7931 0.2571106E-01 2.285915 
1 1 1   -5    4   18 o  206.221   1.2895 41222.58  503.286 40929.91  642.648 41686.77  809.349  205.293   1.6126  207.148   2.0127 -1.855194 2.579094 
1 1 1   -5    4   19 o   76.824   0.8449  5727.97  120.189  5722.48  149.040  5738.18  203.249   76.776   1.0000   76.873   1.3620 -0.9743500E-01 1.689743 
1 1 1   -5    4   20 o  240.024   1.3577 56057.58  616.744 56304.76  789.753 55671.19  987.399  240.737   1.6900  239.311   2.1255 1.426193 2.715490 
1 1 1   -5    4   21 o   97.784   0.9416  9260.81  170.572  9198.70  211.346  9376.86  288.885   97.326   1.1187   98.242   1.5148 -0.9160156 1.883109 
1 1 1   -5    4   22 o   88.429   0.9100  7640.74  148.976  7747.98  185.396  7445.29  250.282   89.321   1.0693   87.537   1.4729 1.784134 1.820085 
1 1 1   -5    4   23 o  118.053   1.0637 13486.81  233.046 13348.52  289.096 13743.43  393.822  117.216   1.2706  118.890   1.7064 -1.674408 2.127490 
1 1 1   -5    4   24 o   36.898   0.9806  1307.20   64.735  1282.85   77.368  1364.05  118.209   36.341   1.0967   37.455   1.6258 -1.114471 1.961155 
1 1 1   -5    4   25 o   65.758   0.8725  4205.85  104.502  4213.20  127.463  4190.80  182.516   65.860   0.9970   65.657   1.4320 0.2025528 1.744929 
1 1 1   -5    4   26 o   50.854   0.9460  2447.26   86.624  2342.42  103.518  2692.15  158.214   49.100   1.0861   52.608   1.5493 -3.508350 1.892054 
1 1 1   -5    4   27 o   78.344   0.9988  5911.90  142.744  5802.41  173.518  6141.11  251.066   77.261   1.1570   79.426   1.6284 -2.164948 1.997545 
1 1 1   -5    4   28 o   90.258   1.0880  7916.00  179.341  7883.33  219.002  7982.50  312.478   90.025   1.2532   90.490   1.7789 -0.4648438 2.176001 
1 1 1   -5    4   29 o   33.730   1.2242  1135.61   74.601  1182.20   91.319  1042.13  129.351   34.834   1.3505   32.626   2.0424 2.207973 2.448497 
1 1 1   -5    4   30 f   33.461   1.1971  1065.42   73.261  1009.89   88.664  1184.90  130.063   32.165   1.4200   34.758   1.9277 -2.592648 2.394262 
1 1 1   -5    4   31 o   8.3190   2.4752 -18.4437   66.127 -65.3715   79.961   83.097  117.620   6.0870   2.8251   10.551   4.0653 -4.464059 4.950494 
1 1 1   -5    4   32 o   23.934   1.8967  567.233   88.121  567.233   88.121   0.0000   0.0000   23.934   1.8967  ?   ?       ?      ? 
1 1 1   -5    4   33 o   22.077   1.8327  474.800   73.604  439.825   88.386  553.923  132.942   20.950   2.1734   23.204   2.9514 -2.254564 3.665318 
1 1 1   -5    4   34 o   15.173   2.6468  281.632   76.064  319.832   88.939  177.600  146.773   17.629   2.5989   12.717   4.6117 4.912803 5.293558 
1 1 1   -5    4   35 o   16.637   2.6316  322.908   77.456  332.256   91.438  299.160  145.743   17.797   2.6468   15.477   4.5493 2.319613 5.263242 
1 1 1   -5    5    1 o  158.532   1.0568 24392.45  325.175 24848.68  463.283 23949.44  456.527  159.992   1.4917  157.071   1.4973 2.921707 2.113538 
1 1 1   -5    5    2 o  129.865   0.9299 16368.20  234.406 16613.61  334.036 16130.10  329.022  130.824   1.3153  128.906   1.3149 1.917755 1.859853 
1 1 1   -5    5    3 o  131.575   0.9295 16803.72  237.390 16634.31  333.909 16976.86  337.561  130.905   1.3140  132.246   1.3149 -1.340958 1.858966 
1 1 1   -5    5    4 o  121.803   0.8852 14401.73  209.284 14321.67  295.834 14481.93  296.111  121.464   1.2547  122.142   1.2489 -0.6777725 1.770303 
1 1 1   -5    5    5 o   84.560   0.8645  6941.26  141.889  6827.94  200.005  7056.06  201.322   83.866   1.2285   85.255   1.2165 -1.389618 1.728918 
1 1 1   -5    5    6 o  152.010   1.4817 22417.57  418.005 22353.72  519.482 22534.84  704.021  151.719   1.7639  152.299   2.3813 -0.5800171 2.963443 
1 1 1   -5    5    7 o  107.928   1.6876 11313.85  353.487 10966.18  496.224 11672.03  503.670  106.244   2.4061  109.612   2.3671 -3.367584 3.375269 
1 1 1   -5    5    8 o   86.814   1.3601  7212.53  180.046  7491.74  416.250  7148.27  199.693   87.819   2.4417   85.810   1.1988 2.008858 2.720173 
1 1 1   -5    5    9 o   46.204   1.5282  1997.64   69.978  2162.47  269.509  1985.73   72.464   47.178   2.9428   45.230   0.8253 1.948414 3.056376 
1 1 1   -5    5   10 o   57.673   1.3666  3100.85   95.013  3396.09  295.451  3066.80  100.343   59.136   2.5737   56.210   0.9196 2.926796 2.733109 
1 1 1   -5    5   11 o  461.652   1.8710 206730.00  1639.08 207980.50  2612.98 205918.59  2104.65  462.780   2.9087  460.524   2.3543 2.256226 3.742078 
1 1 1   -5    5   12 o  462.367   1.8951 207014.59  1657.76 210164.91  2670.91 205040.59  2114.30  465.197   2.9577  459.538   2.3702 5.658600 3.790226 
1 1 1   -5    5   13 o   89.538   0.9384  7781.66  163.094  7636.31  229.616  7929.67  231.697   88.694   1.3337   90.382   1.3206 -1.687721 1.876873 
1 1 1   -5    5   14 o  253.241   1.2735 62058.41  612.682 61291.86  786.891 63238.59  976.375  251.268   1.6133  255.214   1.9708 -3.945847 2.546924 
1 1 1   -5    5   15 o   84.763   0.9677  6974.58  159.226  6879.19  224.607  7070.96  225.757   84.181   1.3745   85.346   1.3627 -1.165398 1.935499 
1 1 1   -5    5   16 o  131.556   1.0472 16813.15  258.994 16845.60  327.876 16759.31  422.351  131.729   1.2822  131.382   1.6560 0.3466949 2.094413 
1 1 1   -5    5   17 o  180.943   1.1992 31840.36  410.037 32005.78  523.801 31578.58  658.950  181.560   1.4862  180.326   1.8825 1.234665 2.398443 
1 1 1   -5    5   18 o  210.651   1.2552 43105.11  501.162 43122.77  642.883 43077.75  800.150  210.723   1.5716  210.580   1.9574 0.1431580 2.510313 
1 1 1   -5    5   19 o  180.030   1.2211 31554.63  414.590 31799.00  528.251 31162.66  669.013  180.955   1.5038  179.104   1.9243 1.850861 2.442199 
1 1 1   -5    5   20 o   90.820   0.9192  8053.26  155.163  8161.78  193.997  7860.57  258.500   91.682   1.0900   89.959   1.4803 1.723495 1.838347 
1 1 1   -5    5   21 o   39.940   0.8178  1505.80   60.009  1422.14   72.893  1681.74  105.707   38.270   0.9812   41.610   1.3087 -3.339966 1.635673 
1 1 1   -5    5   22 o   41.714   0.8633  1675.16   65.583  1647.69   79.628  1733.08  115.637   41.192   0.9958   42.236   1.4104 -1.043480 1.726558 
1 1 1   -5    5   23 o   70.313   0.8549  4771.02  110.243  4707.21  134.868  4899.49  191.374   69.620   0.9980   71.007   1.3884 -1.387558 1.709845 
1 1 1   -5    5   24 o   57.671   0.8582  3237.87   89.933  3250.03  109.504  3212.69  157.631   57.848   0.9752   57.494   1.4124 0.3535080 1.716320 
1 1 1   -5    5   25 o   36.813   4.2122  1792.96   85.996  1817.01   87.253  976.009  508.495   43.249   1.0393   30.378   8.3600 12.87124 8.424323 
1 1 1   -5    5   26 o  104.307   1.0963 10576.47  212.645 10558.97  265.024 10608.09  356.287  104.219   1.3100  104.395   1.7581 -0.1757584 2.192527 
1 1 1   -5    5   27 o   50.748   0.9639  2501.46   89.525  2494.74  109.589  2514.95  155.223   50.663   1.1143   50.833   1.5731 -0.1698494 1.927748 
1 1 1   -5    5   28 o   61.695   0.9604  3719.49  107.437  3748.13  130.703  3659.82  188.656   62.091   1.0844   61.298   1.5855 0.7933350 1.920842 
1 1 1   -5    5   29 o   48.491   0.9929  2326.02   87.489  2393.50  107.265  2191.93  151.217   49.595   1.1142   47.388   1.6439 2.206642 1.985889 
1 1 1   -5    5   30 o   49.803   0.9644  2367.68   88.072  2266.65  107.063  2579.15  154.895   48.235   1.1434   51.372   1.5533 -3.136593 1.928762 
1 1 1   -5    5   31 o   20.732   1.8318  423.882   70.030  415.085   86.129  441.042  120.296   20.496   2.1648   20.967   2.9556 -0.4712334 3.663588 
1 1 1   -5    5   32 o   46.896   1.0231  2157.95   86.666  2154.31  104.886  2165.80  153.868   46.935   1.1512   46.857   1.6916 0.7835770E-01 2.046201 
1 1 1   -5    5   33 o   25.883   1.6510  650.255   75.597  616.799   89.103  736.211  142.822   24.916   1.8422   26.849   2.7404 -1.932228 3.302030 
1 1 1   -5    5   34 o   30.088   1.5030  895.545   80.897  866.558   96.556  963.814  148.180   29.506   1.6858   30.670   2.4889 -1.164635 3.006069 
1 1 1   -5    5   35 o   12.303   2.8562  181.421   78.257  200.974   93.178  134.610  144.173   13.204   3.5559   11.401   4.4705 1.803062 5.712307 
1 1 1   -5    6    1 o  151.818   0.9929 22316.15  291.036 21843.61  389.885 22910.80  437.369  150.008   1.3389  153.627   1.4666 -3.618622 1.985868 
1 1 1   -5    6    2 o   89.208   0.7080  7722.74  122.590  7619.11  171.507  7830.98  175.290   88.597   0.9972   89.820   1.0054 -1.223358 1.416059 
1 1 1   -5    6    3 o  181.457   1.3546 31967.82  477.142 31915.66  672.683 32020.63  676.898  181.308   1.9113  181.606   1.9201 -0.2976532 2.709232 
1 1 1   -5    6    4 o  167.140   1.1617 27153.00  374.410 26849.08  561.236 27396.71  502.595  166.294   1.7386  167.987   1.5413 -1.693268 2.323423 
1 1 1   -5    6    5 o   47.402   1.7486  2181.41  160.846  2255.82  230.812  2111.15  224.271   48.188   2.4675   46.617   2.4784 1.571014 3.497253 
1 1 1   -5    6    6 o  139.666   1.4967 18996.71  384.407 19102.03  473.808 18793.89  657.546  140.251   1.7403  139.080   2.4355 1.171082 2.993423 
1 1 1   -5    6    7 o   83.467   1.7096  6767.46  276.980  6715.18  389.740  6820.82  393.707   83.141   2.4149   83.792   2.4205 -0.6512375 3.419117 
1 1 1   -5    6    8 o  257.668   1.6241 64699.63  797.607 63356.81  1246.04 65631.80  1038.17  255.377   2.5135  259.960   2.0573 -4.583618 3.248132 
1 1 1   -5    6    9 o  162.350   1.4659 25436.71  423.001 25984.95  777.638 25206.33  504.105  163.570   2.4491  161.130   1.6117 2.440140 2.931828 
1 1 1   -5    6   10 o  100.994   1.4384  9850.82  230.276  9993.43  502.603  9812.93  259.067  101.445   2.5523  100.543   1.3274 0.9016266 2.876832 
1 1 1   -5    6   11 o  203.417   1.5637 40173.71  578.515 40174.54  1014.42 40173.32  704.266  203.407   2.5691  203.426   1.7835 -0.1910400E-01 3.127490 
1 1 1   -5    6   12 o  303.736   1.6668 89905.77  947.353 88324.20  1556.66 90836.15  1193.91  301.591   2.6589  305.881   2.0107 -4.289978 3.333614 
1 1 1   -5    6   13 o  518.552   1.6503 261226.09  1645.98 262051.70  2186.63 260146.70  2500.32  519.513   2.1683  517.591   2.4885 1.921814 3.300639 
1 1 1   -5    6   14 f  286.911   1.3229 79937.89  724.352 80016.85  942.036 79823.70  1132.96  287.092   1.6904  286.730   2.0355 0.3620605 2.645885 
1 1 1   -5    6   15 o  278.094   1.3272 75161.49  704.610 75503.76  917.872 74670.38  1099.47  278.874   1.6955  277.314   2.0424 1.560059 2.654498 
1 1 1   -5    6   16 o  198.453   1.2286 38147.86  461.694 37827.59  589.892 38654.26  741.760  197.389   1.5395  199.517   1.9152 -2.128830 2.457269 
1 1 1   -5    6   17 o   85.850   0.8502  7173.42  135.804  7219.81  169.704  7090.82  226.460   86.240   1.0137   85.460   1.3651 0.7796555 1.700326 
1 1 1   -5    6   18 o  134.567   1.0579 17549.94  266.329 17454.78  334.193 17715.56  440.893  134.077   1.2840  135.057   1.6817 -0.9792175 2.115868 
1 1 1   -5    6   19 o  200.547   1.2783 39009.34  484.594 38813.84  617.820 39321.92  781.220  199.913   1.5920  201.181   2.0004 -1.268021 2.556618 
1 1 1   -5    6   20 o  166.967   1.2133 27101.17  381.024 27144.86  482.695 27028.95  620.642  167.168   1.4875  166.767   1.9172 0.4011383 2.426573 
1 1 1   -5    6   21 o   64.595   0.8095  4043.28   96.139  4024.70  118.176  4079.63  165.318   64.382   0.9456   64.808   1.3141 -0.4260941 1.618940 
1 1 1   -5    6   22 o  214.401   1.3415 44782.38  544.689 45097.07  698.771 44295.09  869.543  215.406   1.6711  213.397   2.0991 2.008835 2.683100 
1 1 1   -5    6   23 o   85.644   0.9184  7080.32  145.061  6980.97  178.500  7273.55  248.935   84.778   1.0846   86.510   1.4824 -1.731377 1.836812 
1 1 1   -5    6   24 o   40.194   0.9026  1584.74   66.631  1617.38   82.345  1522.85  113.399   40.806   1.0395   39.581   1.4759 1.225216 1.805250 
1 1 1   -5    6   25 o   70.647   0.8912  4845.03  116.262  4832.98  143.658  4867.89  197.927   70.534   1.0492   70.760   1.4410 -0.2265091 1.782472 
1 1 1   -5    6   26 o   58.187   0.9176  3316.26   98.870  3376.75  123.224  3206.95  165.656   58.952   1.0768   57.422   1.4861 1.529461 1.835244 
1 1 1   -5    6   27 f  128.235   1.2475 16006.24  298.700 15978.93  374.243 16054.17  495.794  128.146   1.5045  128.325   1.9903 -0.1791534 2.494967 
1 1 1   -5    6   28 o   45.679   0.9879  2030.72   81.685  2030.54   99.029  2031.12  144.488   45.698   1.1163   45.659   1.6302 0.3951645E-01 1.975804 
1 1 1   -5    6   29 o  100.509   1.1689  9836.01  214.778  9785.23  262.498  9938.85  373.579  100.214   1.3494  100.804   1.9092 -0.5893631 2.337876 
1 1 1   -5    6   30 o   49.342   0.9925  2406.26   90.376  2477.00  112.580  2278.05  151.564   50.421   1.1502   48.263   1.6178 2.157810 1.984997 
1 1 1   -5    6   31 o   9.2406   2.5349   59.909   65.389   86.782   80.390   7.3650  112.410   9.7369   3.4266   8.7443   3.7364 0.9926672 5.069739 
1 1 1   -5    6   32 o   23.756   1.6891  550.377   73.276  521.731   88.636  612.222  130.237   22.922   1.9920   24.589   2.7285 -1.666864 3.378287 
1 1 1   -5    6   33 o   13.603   2.8142  202.518   74.091  203.023   86.981  201.182  141.437   13.691   3.3094   13.516   4.5527 0.1754313 5.628459 
1 1 1   -5    6   34 o   15.627   2.7056  264.421   75.073  247.322   88.238  309.242  142.861   15.087   3.1160   16.166   4.4239 -1.078001 5.411142 
1 1 1   -5    6   35 o   28.232   1.6927  834.222   84.773  848.783  102.011  801.724  152.400   29.016   1.8111   27.448   2.8603 1.568783 3.385467 
1 1 1   -5    7    1 o  150.803   0.9777 22078.64  285.116 22104.36  386.856 22048.06  421.841  150.900   1.3207  150.706   1.4420 0.1943817 1.955355 
1 1 1   -5    7    2 o   68.448   0.5610  4546.64   74.537  4615.97  106.383  4479.79  104.466   68.961   0.7947   67.936   0.7922 1.024841 1.122082 
1 1 1   -5    7    3 o  187.378   1.3627 34090.16  495.661 34172.95  701.392 34007.57  700.549  187.606   1.9260  187.151   1.9283 0.4545593 2.725400 
1 1 1   -5    7    4 o  111.332   0.8399 12019.82  181.414 11659.30  251.388 12411.61  262.060  109.592   1.1817  113.073   1.1939 -3.480232 1.679830 
1 1 1   -5    7    5 o  140.620   1.1806 19200.79  322.256 19114.46  454.927 19287.73  456.555  140.302   1.6704  140.937   1.6688 -0.6345673 2.361146 
1 1 1   -5    7    6 o   24.768   1.6484  689.866   33.040  700.722   33.970  499.619  142.206   26.868   0.6513   22.668   3.2318 4.200533 3.296775 
1 1 1   -5    7    7 o  166.940   1.4642 27011.19  439.985 27213.45  788.053 26919.59  530.342  167.373   2.4255  166.506   1.6408 0.8669586 2.928381 
1 1 1   -5    7    8 o  223.833   1.5391 48606.96  635.349 48831.76  1084.53 48489.49  783.960  224.204   2.4919  223.463   1.8073 0.7406464 3.078292 
1 1 1   -5    7    9 o   86.469   1.4000  7280.05  182.683  7227.75  423.343  7292.01  202.508   86.267   2.5280   86.671   1.2037 -0.4039230 2.799945 
1 1 1   -5    7   10 o  386.771   1.7730 145304.91  1305.00 145036.70  2058.72 145485.09  1687.30  386.454   2.7443  387.087   2.2455 -0.6332703 3.545941 
1 1 1   -5    7   11 o  169.577   1.5260 27896.77  462.480 27974.93  838.172 27862.55  554.536  169.738   2.5438  169.416   1.6862 0.3219299 3.051953 
1 1 1   -5    7   12 o  113.360   1.0662 12485.22  233.303 12577.27  314.394 12372.39  348.048  113.827   1.4229  112.894   1.5882 0.9328613 2.132345 
1 1 1   -5    7   13 o  286.226   1.3058 79659.25  714.069 80238.20  932.637 78839.05  1110.07  287.492   1.6712  284.960   2.0068 2.531372 2.611517 
1 1 1   -5    7   14 o  321.329   1.3682 100331.70  840.581 100736.80  1098.73 99759.98  1305.31  322.121   1.7571  320.538   2.0978 1.583588 2.736494 
1 1 1   -5    7   15 o   83.179   0.8112  6709.41  125.951  6692.01  157.681  6740.07  209.348   83.031   0.9783   83.326   1.2943 -0.2948151 1.622403 
1 1 1   -5    7   16 o  400.010   1.4878 155458.00  1139.43 155798.30  1493.82 154984.59  1761.96  400.553   1.9212  399.467   2.2722 1.085510 2.975566 
1 1 1   -5    7   17 o  202.321   1.2555 39793.29  480.758 39942.25  615.594 39560.37  769.739  202.819   1.5636  201.823   1.9648 0.9961700 2.510984 
1 1 1   -5    7   18 o  178.641   1.1973 31031.27  403.704 31150.60  514.559 30840.23  651.083  179.103   1.4800  178.180   1.8824 0.9230499 2.394556 
1 1 1   -5    7   19 o  128.241   1.0740 15924.93  257.554 15800.36  322.827 16143.06  427.183  127.563   1.3037  128.919   1.7070 -1.356339 2.147903 
1 1 1   -5    7   20 o  180.198   1.2531 31606.21  424.951 31771.78  539.282 31334.99  690.211  180.848   1.5362  179.548   1.9803 1.299500 2.506289 
1 1 1   -5    7   21 o  105.279   0.9945 10748.65  194.025 10705.62  240.650 10828.59  327.985  104.992   1.1808  105.566   1.6005 -0.5740433 1.988957 
1 1 1   -5    7   22 o   90.723   0.9358  7923.66  156.744  7767.89  192.861  8226.75  269.025   89.433   1.1109   92.013   1.5062 -2.579773 1.871550 
1 1 1   -5    7   23 o   60.797   0.8271  3529.14   91.974  3413.62  111.730  3771.94  161.987   59.288   0.9708   62.305   1.3393 -3.017757 1.654182 
1 1 1   -5    7   24 o   94.190   1.0403  8512.53  177.769  8318.54  214.772  8934.58  316.789   92.532   1.1957   95.849   1.7026 -3.316597 2.080535 
1 1 1   -5    7   25 o   94.822   1.0548  8702.52  184.360  8615.82  226.955  8870.73  316.109   94.158   1.2417   95.487   1.7054 -1.329239 2.109560 
1 1 1   -5    7   26 o   69.500   0.9331  4702.75  119.021  4717.02  146.320  4674.82  204.625   69.675   1.0818   69.325   1.5206 0.3500443 1.866145 
1 1 1   -5    7   27 o   56.475   0.8997  3055.78   93.501  2962.95  114.367  3242.88  162.369   55.216   1.0670   57.734   1.4488 -2.518005 1.799313 
1 1 1   -5    7   28 o   35.309   1.1172  1188.50   73.050  1132.04   89.670  1299.90  125.961   34.106   1.3544   36.512   1.7772 -2.405758 2.234484 
1 1 1   -5    7   29 o   28.959   1.4160  816.131   74.620  807.208   90.688  834.835  131.305   28.757   1.6246   29.160   2.3197 -0.4026642 2.831987 
1 1 1   -5    7   30 o   57.703   0.9588  3268.95  101.198  3309.27  124.307  3189.73  174.263   58.287   1.0986   57.118   1.5717 1.168995 1.917612 
1 1 1   -5    7   31 o   11.862   2.6858  131.271   68.107   98.041   84.441  193.132  115.210   10.186   3.5160   13.539   4.0610 -3.352517 5.371566 
1 1 1   -5    7   32 o   22.475   1.7511  501.978   71.827  490.297   87.397  526.287  126.076   22.207   2.0274   22.743   2.8557 -0.5363579 3.502186 
1 1 1   -5    7   33 o   25.328   1.7624  665.085   76.420  683.925   90.049  616.591  144.472   26.252   1.7670   24.403   3.0499 1.849848 3.524784 
1 1 1   -5    7   34 o   15.406   2.4340  314.979   77.936  429.494   94.553   72.301  137.645   20.513   2.3746   10.299   4.2496 10.21374 4.868024 
1 1 1   -5    7   35 o   17.148   2.5938  300.761   78.825  231.386   93.606  469.886  146.153   14.230   3.4291   20.067   3.8925 -5.836381 5.187505 
1 1 1   -5    8    1 o   95.418   0.7052  8836.24  130.605  8727.09  183.284  8948.85  186.156   94.819   0.9958   96.016   0.9988 -1.197121 1.410364 
1 1 1   -5    8    2 o  158.693   1.0835 24432.35  333.330 24751.89  485.466 24147.34  458.490  159.674   1.5662  157.713   1.4976 1.960342 2.167012 
1 1 1   -5    8    3 o  125.557   0.9258 15303.95  225.645 15271.14  318.588 15336.99  319.634  125.422   1.3086  125.692   1.3100 -0.2701263 1.851610 
1 1 1   -5    8    4 o   88.425   0.7056  7589.46  121.112  7523.59  170.289  7656.88  172.285   88.037   0.9965   88.813   0.9993 -0.7764053 1.411233 
1 1 1   -5    8    5 f  154.741   1.2893 23254.02  387.254 23280.00  545.739 23227.67  549.602  154.828   1.8158  154.653   1.8307 0.1748352 2.578508 
1 1 1   -5    8    6 o  122.627   1.2736 14669.29  297.589 14965.70  387.740 14244.42  464.218  124.147   1.6089  121.106   1.9747 3.041786 2.547145 
1 1 1   -5    8    7 o  194.593   1.4973 36747.14  531.326 36861.97  927.509 36691.05  648.228  194.798   2.4528  194.388   1.7179 0.4092560 2.994585 
1 1 1   -5    8    8 o   55.357   1.3490  2894.75   88.742  3079.38  278.511  2873.89   93.622   56.302   2.5483   54.412   0.8864 1.890438 2.698048 
1 1 1   -5    8    9 o  166.731   1.4935 26856.10  442.674 27331.84  812.799 26655.47  527.825  167.762   2.4959  165.700   1.6410 2.062042 2.987011 
1 1 1   -5    8   10 o  326.077   1.7199 103153.90  1065.62 103676.90  1691.77 102809.90  1372.00  326.748   2.6672  325.407   2.1720 1.341064 3.439742 
1 1 1   -5    8   11 f  301.181   1.4091 88061.62  823.803 88582.18  1168.54 87547.25  1161.55  302.066   1.9929  300.296   1.9926 1.769745 2.818166 
1 1 1   -5    8   12 o  196.064   1.2669 37318.69  482.144 37290.88  678.277 37347.10  685.488  195.990   1.7828  196.137   1.8004 -0.1472168 2.533769 
1 1 1   -5    8   13 o  158.461   1.1919 24375.35  366.603 24015.01  516.434 24741.38  520.499  157.280   1.6915  159.642   1.6796 -2.361130 2.383758 
1 1 1   -5    8   14 o  173.783   1.1547 29271.75  379.128 29114.51  482.880 29524.46  612.167  173.180   1.4364  174.385   1.8084 -1.205582 2.309454 
1 1 1   -5    8   15 o  209.358   1.2375 42504.34  490.914 42327.15  628.669 42781.21  785.858  208.806   1.5510  209.910   1.9286 -1.104080 2.474911 
1 1 1   -5    8   16 o  281.564   1.3529 77051.78  727.031 77359.60  946.525 76608.86  1135.41  282.263   1.7275  280.865   2.0825 1.397980 2.705753 
1 1 1   -5    8   17 o  191.076   1.2157 35428.97  440.122 35336.46  563.713 35573.40  704.380  190.767   1.5223  191.384   1.8960 -0.6166534 2.431471 
1 1 1   -5    8   18 o  255.747   1.3491 63536.66  656.178 63529.90  847.050 63546.80  1037.64  255.753   1.7062  255.742   2.0902 0.1052856E-01 2.698112 
1 1 1   -5    8   19 f   75.800   0.8394  5498.01  116.239  5347.03  141.205  5815.40  204.729   74.214   0.9802   77.387   1.3628 -3.173111 1.678717 
1 1 1   -5    8   20 o   56.550   0.7723  3093.00   80.758  3065.37   99.783  3145.47  137.499   56.189   0.9148   56.911   1.2446 -0.7215767 1.544667 
1 1 1   -5    8   21 o  177.664   1.2425 30707.04  416.601 30799.89  530.794 30558.08  672.297  178.043   1.5358  177.285   1.9535 0.7585144 2.484962 
1 1 1   -5    8   22 o  135.638   1.1263 18004.38  286.772 18386.70  364.125 17379.90  465.364  137.571   1.3635  133.706   1.7930 3.865829 2.252547 
1 1 1   -5    8   23 o  104.229   1.0026 10592.31  194.663 10683.64  243.771 10431.55  323.400  104.870   1.1975  103.588   1.6083 1.281433 2.005127 
1 1 1   -5    8   24 o   68.650   0.8785  4473.15  110.815  4266.03  134.875  4903.40  194.393   66.272   1.0484   71.028   1.4099 -4.756386 1.756990 
1 1 1   -5    8   25 o  115.225   1.1449 13003.43  246.971 13261.87  312.291 12571.90  403.532  116.799   1.3774  113.651   1.8291 3.148018 2.289723 
1 1 1   -5    8   26 o  150.319   1.4740 21980.33  410.973 21875.29  510.265 22174.30  693.370  149.902   1.7536  150.737   2.3696 -0.8345642 2.947909 
1 1 1   -5    8   27 o   21.264   1.7072  472.193   64.598  537.407   80.627  355.289  107.951   23.488   1.7683   19.039   2.9209 4.449318 3.414488 
1 1 1   -5    8   28 o   54.731   0.9449  2943.03   95.174  3005.37  117.910  2826.47  161.228   55.595   1.0926   53.867   1.5419 1.728241 1.889731 
1 1 1   -5    8   29 o   58.013   0.9547  3301.59  102.130  3351.78  126.597  3208.03  172.834   58.686   1.1113   57.340   1.5528 1.345806 1.909456 
1 1 1   -5    8   30 o   54.987   1.1427  2956.25  121.791  2985.97  177.461  2929.79  167.452   55.238   1.6550   54.736   1.5760 0.5011749 2.285335 
1 1 1   -5    8   31 o   37.964   1.1224  1385.39   78.409  1328.43   95.715  1501.58  136.713   36.859   1.3378   39.069   1.8026 -2.210659 2.244796 
1 1 1   -5    8   32 o   15.034   2.5245  232.503   69.009  208.021   83.661  284.620  122.065   13.974   3.1584   16.093   3.9392 -2.118570 5.049056 
1 1 1   -5    8   33 o   18.062   2.4784  352.385   77.384  355.609   92.073  344.629  142.807   18.707   2.5355   17.417   4.2592 1.289595 4.956790 
1 1 1   -5    8   34 o   21.840   2.0024  494.723   76.813  491.288   91.219  503.095  142.416   22.038   2.1323   21.642   3.3899 0.3959255 4.004774 
1 1 1   -5    8   35 o   10.119   2.7116   99.604   78.716  151.735   96.618  -3.3002  135.747   11.493   3.7596   8.7455   3.9086 2.747616 5.423260 
1 1 1   -5    9    1 o  300.476   1.4475 87671.69  844.231 87485.63  1187.81 87861.63  1200.13  300.155   2.0386  300.798   2.0554 -0.6430664 2.894912 
1 1 1   -5    9    2 f  231.510   1.3710 52079.52  608.039 52259.34  798.586 51831.47  937.912  231.995   1.7733  231.025   2.0914 0.9695129 2.741986 
1 1 1   -5    9    3 o   39.564   0.3563  1517.79   27.320  1492.94   37.488  1545.94   39.897   39.219   0.4924   39.909   0.5150 -0.6900368 0.7125298 
1 1 1   -5    9    4 o  129.155   1.0395 16212.66  255.329 16278.98  329.927 16113.63  403.164  129.489   1.3126  128.821   1.6122 0.6686707 2.078978 
1 1 1   -5    9    5 o  145.149   1.2001 20447.79  338.042 21034.55  484.516 19891.27  471.863  147.177   1.6959  143.121   1.6984 4.055710 2.400158 
1 1 1   -5    9    6 o   90.777   0.9011  7985.13  158.322  8187.12  234.273  7815.33  214.796   91.831   1.3142   89.723   1.2333 2.107857 1.802250 
1 1 1   -5    9    7 o  305.547   1.6576 90752.07  964.573 90334.80  1517.19 91035.13  1249.63  304.933   2.5631  306.160   2.1027 -1.227020 3.315239 
1 1 1   -5    9    8 o  186.718   1.5169 33980.05  515.756 33499.21  898.932 34216.01  629.712  185.712   2.4936  187.724   1.7280 -2.012070 3.033814 
1 1 1   -5    9    9 o  134.520   1.4522 17593.13  336.725 17518.48  647.254 17620.83  394.281  134.313   2.4825  134.727   1.5076 -0.4139404 2.904437 
1 1 1   -5    9   10 o  198.588   1.2530 38284.66  483.030 38065.63  681.598 38505.64  684.629  198.017   1.7732  199.158   1.7709 -1.141220 2.506057 
1 1 1   -5    9   11 o  363.555   1.5451 128359.30  1088.47 128930.70  1497.15 127718.60  1585.28  364.417   2.1164  362.693   2.2517 1.723785 3.090172 
1 1 1   -5    9   12 o  254.932   1.3675 63095.14  676.706 62779.58  954.406 63414.15  959.629  254.291   1.9335  255.573   1.9343 -1.281906 2.734923 
1 1 1   -5    9   13 o  287.411   1.4241 80184.16  794.439 81614.10  1133.02 78801.27  1114.23  289.931   2.0132  284.891   2.0148 5.040131 2.848188 
1 1 1   -5    9   14 o  215.101   1.2204 44750.65  498.253 44128.41  638.551 45719.21  796.668  213.203   1.5429  217.000   1.8913 -3.796753 2.440785 
1 1 1   -5    9   15 o  334.143   1.4008 108441.80  895.083 108598.30  1169.79 108220.70  1390.25  334.445   1.8018  333.841   2.1453 0.6040955 2.801591 
1 1 1   -5    9   16 o  217.854   1.2582 45985.03  520.780 45606.43  669.590 46564.70  828.526  216.731   1.5916  218.978   1.9491 -2.246475 2.516381 
1 1 1   -5    9   17 o   86.894   0.8736  7377.47  141.535  7503.09  177.813  7160.27  233.813   87.914   1.0419   85.875   1.4026 2.039116 1.747270 
1 1 1   -5    9   18 o   95.191   0.9067  8851.59  161.411  9002.51  203.609  8596.32  264.804   96.295   1.0893   94.087   1.4499 2.207756 1.813453 
1 1 1   -5    9   19 o  107.562   0.9847 11305.47  197.347 11491.98  247.712 10981.41  326.516  108.792   1.1730  106.332   1.5819 2.460480 1.969318 
1 1 1   -5    9   20 o   54.879   0.7586  2932.89   76.903  2952.07   95.283  2897.05  130.252   55.141   0.8902   54.617   1.2285 0.5240479 1.517138 
1 1 1   -5    9   21 o   43.264   0.8083  1847.30   64.795  1923.16   81.329  1715.49  107.210   44.504   0.9414   42.025   1.3142 2.479683 1.616612 
1 1 1   -5    9   22 o   96.608   0.9556  9025.55  172.180  8918.80  214.859  9217.13  287.841   95.826   1.1551   97.390   1.5226 -1.564110 1.911115 
1 1 1   -5    9   23 o   34.855   1.0079  1179.11   64.238  1176.12   78.565  1185.15  111.577   34.796   1.1632   34.914   1.6463 -0.1186218 2.015749 
1 1 1   -5    9   24 o   99.562   1.0447  9698.16  194.187  9869.45  244.456  9405.21  319.682  100.783   1.2495   98.341   1.6746 2.442123 2.089423 
1 1 1   -5    9   25 o   74.245   0.8949  5273.04  122.207  5102.35  149.330  5619.16  212.646   72.469   1.0615   76.020   1.4410 -3.550331 1.789779 
1 1 1   -5    9   26 o   73.137   0.9281  5156.52  125.102  5062.56  153.678  5341.10  215.398   72.177   1.0968   74.097   1.4975 -1.919724 1.856251 
1 1 1   -5    9   27 o   33.763   1.1184  1104.62   71.040  1089.41   89.698  1130.22  116.357   33.465   1.3808   34.062   1.7598 -0.5972290 2.236823 
1 1 1   -5    9   28 o   33.762   1.1283  1099.40   70.802  1072.50   87.714  1149.70  119.945   33.193   1.3613   34.330   1.7999 -1.136845 2.256688 
1 1 1   -5    9   29 o   40.802   1.0650  1609.64   80.272  1578.20   98.850  1670.53  137.552   40.252   1.2651   41.351   1.7136 -1.099171 2.130012 
1 1 1   -5    9   30 o   48.518   1.0309  2312.19   89.617  2332.58  107.981  2267.05  160.641   48.926   1.1370   48.111   1.7201 0.8148956 2.061879 
1 1 1   -5    9   31 o   35.722   1.1921  1256.07   77.171  1260.46   93.790  1246.86  135.786   35.897   1.3460   35.546   1.9679 0.3506699 2.384142 
1 1 1   -5    9   32 o   45.213   1.0395  2034.17   86.427  2088.55  107.217  1933.27  146.043   46.186   1.1959   44.239   1.7006 1.946312 2.079001 
1 1 1   -5    9   33 o   17.221   2.5472  334.416   76.695  354.841   91.383  285.752  141.057   18.683   2.5197   15.759   4.4277 2.923634 5.094461 
1 1 1   -5    9   34 o   13.008   2.8759  171.494   76.194  128.571   91.147  271.079  138.833   10.922   3.6549   15.093   4.4412 -4.171231 5.751743 
1 1 1   -5    9   35 o   28.801   1.5890  812.969   85.306  715.051  104.565  1007.83  147.507   26.485   2.0338   31.117   2.4421 -4.631071 3.178069 
1 1 1   -5   10    1 o  246.260   1.2739 58881.59  608.947 59733.76  866.200 58048.90  856.249  248.022   1.7991  244.499   1.8041 3.523209 2.547865 
1 1 1   -5   10    2 f   57.795   0.6865  3246.24   76.777  3292.71  104.960  3192.75  112.601   58.241   0.9284   57.350   1.0115 0.8915405 1.372929 
1 1 1   -5   10    3 o   61.420   0.7276  3659.59   86.635  3615.74  119.132  3708.81  126.216   61.030   1.0056   61.810   1.0519 -0.7799950 1.455254 
1 1 1   -5   10    4 o  208.677   1.7723 42312.29  717.877 42380.20  1011.14 42243.28  1019.37  208.847   2.4941  208.507   2.5185 0.3398590 3.544525 
1 1 1   -5   10    5 o  217.084   2.1693 46092.88  868.259 46730.40  1075.61 44900.48  1471.01  219.307   2.5266  214.862   3.5269 4.444702 4.338511 
1 1 1   -5   10    6 o  153.753   1.1875 23013.47  352.164 22393.69  524.790 23521.22  474.994  151.861   1.7802  155.645   1.5721 -3.784073 2.375038 
1 1 1   -5   10    7 o  171.172   1.4772 28550.77  456.039 28197.61  809.787 28714.79  551.873  170.374   2.4485  171.969   1.6532 -1.595016 2.954356 
1 1 1   -5   10    8 o  104.638   1.4147 10664.11  235.839 10574.13  508.294 10688.79  266.230  104.343   2.5095  104.932   1.3070 -0.5889893 2.829464 
1 1 1   -5   10    9 o  259.988   1.5919 65631.07  768.681 65635.35  1290.87 65628.72  956.818  259.979   2.5579  259.996   1.8958 -0.1724243E-01 3.183834 
1 1 1   -5   10   10 o  301.318   1.4574 88232.77  850.238 89432.88  1165.82 86869.16  1242.70  303.512   1.9787  299.124   2.1402 4.388397 2.914752 
1 1 1   -5   10   11 o  512.966   1.7387 255488.70  1731.27 256481.30  2458.26 254512.00  2438.64  513.954   2.4640  511.978   2.4538 1.976105 3.477377 
1 1 1   -5   10   12 o  256.611   1.3734 63932.24  684.113 64225.56  965.994 63637.11  968.977  257.202   1.9348  256.020   1.9497 1.181549 2.746793 
1 1 1   -5   10   13 o   73.564   0.8356  5246.75  119.253  5076.41  165.067  5432.71  172.474   72.316   1.1759   74.811   1.1877 -2.494774 1.671288 
1 1 1   -5   10   14 o  258.173   1.2919 64714.62  636.164 64718.55  826.217 64708.90  997.001  258.190   1.6485  258.156   1.9895 0.3460693E-01 2.583746 
1 1 1   -5   10   15 o   48.523   0.6929  2273.10   63.157  2237.32   79.526  2334.19  103.928   48.010   0.8533   49.037   1.0918 -1.027126 1.385712 
1 1 1   -5   10   16 o  164.184   1.1502 26259.54  357.668 26576.38  459.567 25772.82  569.598  165.451   1.4309  162.917   1.8011 2.534027 2.300326 
1 1 1   -5   10   17 o  249.482   1.3281 60542.37  631.043 60917.38  818.186 59991.77  991.416  250.454   1.6829  248.509   2.0552 1.945129 2.656294 
1 1 1   -5   10   18 o   34.629   0.8023  1160.29   51.232  1151.62   63.130  1177.00   87.680   34.442   0.9442   34.816   1.2973 -0.3741112 1.604580 
1 1 1   -5   10   19 o   67.297   0.7671  4410.66   96.067  4445.26  120.114  4349.25  160.042   67.667   0.9144   66.926   1.2319 0.7412796 1.534193 
1 1 1   -5   10   20 o  110.851   1.0000 11882.77  206.561 11748.26  257.480 12125.65  345.998  109.987   1.2060  111.715   1.5955 -1.727760 2.000003 
1 1 1   -5   10   21 o   39.181   0.8298  1489.14   59.516  1485.43   72.866  1496.57  103.159   39.112   0.9597   39.250   1.3539 -0.1379318 1.659580 
1 1 1   -5   10   22 o   91.960   0.9412  8168.85  159.793  8065.81  196.923  8367.47  273.418   91.129   1.1132   92.790   1.5180 -1.660973 1.882399 
1 1 1   -5   10   23 f  144.697   1.2613 20382.66  333.514 20423.59  408.107 20300.35  578.694  144.965   1.4503  144.429   2.0641 0.5356750 2.522648 
1 1 1   -5   10   24 o   43.785   0.8821  1843.46   71.937  1796.14   89.327  1930.77  121.343   43.000   1.0702   44.570   1.4025 -1.569332 1.764165 
1 1 1   -5   10   25 o   48.994   0.8770  2367.71   79.919  2462.25  100.749  2207.26  131.252   50.343   1.0309   47.645   1.4191 2.698284 1.754078 
1 1 1   -5   10   26 o  105.371   1.1466 10831.37  223.949 10890.39  278.532 10723.46  376.648  105.822   1.3559  104.920   1.8493 0.9027252 2.293145 
1 1 1   -5   10   27 o   60.149   0.9025  3532.65  100.914  3568.75  126.103  3468.37  168.285   60.595   1.0721   59.703   1.4521 0.8927803 1.804950 
1 1 1   -5   10   28 o   31.987   1.1926  993.020   70.653  982.248   87.440  1013.28  119.921   31.760   1.4183   32.214   1.9177 -0.4542065 2.385190 
1 1 1   -5   10   29 o   7.6032   2.3836 -32.7423   66.609 -48.6719   82.397  -2.6991  113.157   6.5249   2.9683   8.6816   3.7302 -2.156712 4.767148 
1 1 1   -5   10   30 o   62.172   0.9932  3783.58  110.515  3797.57  132.869  3752.18  199.077   62.433   1.0963   61.910   1.6565 0.5232964 1.986441 
1 1 1   -5   10   31 o   43.757   1.0951  1913.34   87.132  1984.83  107.205  1774.19  149.559   45.070   1.2253   42.443   1.8153 2.627438 2.190135 
1 1 1   -5   10   32 o   20.108   2.0366  446.039   69.688  504.018   86.293  337.328  118.162   22.517   1.9742   17.698   3.5627 4.818865 4.073136 
1 1 1   -5   10   33 o   7.7694   2.4714 -24.7125   74.855   4.8095   88.886 -96.7135  138.813   7.6389   3.2943   7.8998   3.6851 -0.2609215 4.942870 
1 1 1   -5   10   34 o   26.246   1.6766  687.930   80.413  656.289   97.540  755.062  142.076   25.535   1.9678   26.958   2.7150 -1.422735 3.353151 
1 1 1   -5   10   35 f   33.293   1.4858  1149.93   87.816  1177.19  105.826  1089.64  157.366   34.301   1.5894   32.286   2.5109 2.015305 2.971675 
1 1 1   -5   11    1 o  114.611   0.8055 12749.90  179.197 12558.74  251.573 12946.78  255.314  113.739   1.1394  115.482   1.1389 -1.743790 1.611043 
1 1 1   -5   11    2 o  228.346   1.4051 50638.42  622.778 50368.68  874.056 50916.57  887.583  227.729   1.9772  228.962   1.9970 -1.233704 2.810243 
1 1 1   -5   11    3 o  191.228   1.6769 35522.91  622.397 35264.51  872.008 35791.25  888.633  190.520   2.3578  191.935   2.3851 -1.415451 3.353807 
1 1 1   -5   11    4 o  182.913   1.6671 32505.32  591.810 32576.87  829.669 32431.20  844.419  183.120   2.3340  182.706   2.3809 0.4133148 3.334107 
1 1 1   -5   11    5 o  167.146   1.5997 27125.17  518.317 26918.52  713.151 27356.57  754.628  166.475   2.2068  167.818   2.3165 -1.342834 3.199402 
1 1 1   -5   11    6 f  145.370   1.1821 20493.23  331.156 20730.03  500.715 20309.12  441.505  146.112   1.7654  144.628   1.5726 1.484299 2.364250 
1 1 1   -5   11    7 o  113.215   1.3917 12297.81  263.798 12741.41  535.434 12155.62  303.143  114.533   2.4083  111.897   1.3956 2.636406 2.783454 
1 1 1   -5   11    8 o  195.840   1.5076 36967.44  537.030 38019.86  947.892 36469.95  651.715  197.863   2.4679  193.816   1.7322 4.047348 3.015151 
1 1 1   -5   11    9 o   34.094   1.7970  1128.89  118.603  1241.81  169.703  1021.07  165.825   35.761   2.4446   32.426   2.6344 3.335072 3.593935 
1 1 1   -5   11   10 o  168.885   1.1868 27686.22  389.007 27582.88  544.961 27793.58  555.467  168.564   1.6655  169.206   1.6911 -0.6421204 2.373544 
1 1 1   -5   11   11 o  200.727   1.2745 39115.09  496.578 39385.12  702.468 38845.36  702.068  201.419   1.7966  200.034   1.8081 1.385223 2.548913 
1 1 1   -5   11   12 o  229.695   1.3277 51222.16  591.992 51447.81  837.294 50996.63  837.111  230.201   1.8737  229.189   1.8816 1.011887 2.655415 
1 1 1   -5   11   13 o  178.746   1.2543 31019.20  435.215 31130.54  613.490 30906.40  617.503  179.069   1.7649  178.423   1.7829 0.6462708 2.508699 
1 1 1   -5   11   14 o  115.608   1.0635 12974.91  238.668 13026.79  337.630 12923.09  337.424  115.839   1.5015  115.377   1.5066 0.4620743 2.127031 
1 1 1   -5   11   15 o  335.385   1.4100 109282.40  904.459 109561.80  1182.78 108888.80  1403.57  335.915   1.8139  334.855   2.1593 1.059967 2.820059 
1 1 1   -5   11   16 o  130.113   1.0326 16410.28  252.652 16331.18  319.472 16542.38  412.819  129.700   1.2689  130.526   1.6293 -0.8260651 2.065107 
1 1 1   -5   11   17 o  210.537   1.2731 42869.17  507.830 42229.02  648.495 43884.13  816.567  208.529   1.6020  212.546   1.9791 -4.016159 2.546272 
1 1 1   -5   11   18 o  134.825   1.0725 17687.84  271.719 17794.36  344.139 17511.52  442.776  135.374   1.3096  134.275   1.6987 1.098694 2.144915 
1 1 1   -5   11   19 o  103.111   0.9647 10340.43  185.755 10381.99  233.083 10268.08  307.516  103.403   1.1612  102.818   1.5407 0.5848312 1.929329 
1 1 1   -5   11   20 o   87.429   0.8917  7307.12  143.642  7066.45  175.821  7790.17  249.091   85.306   1.0618   89.551   1.4329 -4.244583 1.783422 
1 1 1   -5   11   21 o   99.970   0.9611  9640.82  178.026  9485.57  220.115  9934.43  302.710   98.827   1.1474  101.112   1.5423 -2.285187 1.922257 
1 1 1   -5   11   22 f   47.644   0.8014  2208.83   70.843  2218.54   88.171  2191.16  118.994   47.797   0.9503   47.491   1.2908 0.3063354 1.602860 
1 1 1   -5   11   23 f   78.677   0.9057  6058.78  131.582  6162.09  163.406  5868.24  221.914   79.651   1.0568   77.703   1.4712 1.948219 1.811476 
1 1 1   -5   11   24 o   56.678   0.8465  3109.01   88.413  3082.74  108.846  3159.98  151.580   56.337   0.9953   57.020   1.3695 -0.6829224 1.692941 
1 1 1   -5   11   25 o   76.606   0.9210  5656.86  130.100  5554.59  159.921  5857.00  223.721   75.609   1.0896   77.603   1.4851 -1.994507 1.841962 
1 1 1   -5   11   26 o   33.320   1.0846  1030.83   67.463  913.676   82.863  1261.15  116.186   30.649   1.3928   35.992   1.6630 -5.342850 2.169183 
1 1 1   -5   11   27 o   39.015   1.2711  1498.60   94.434  1397.05  145.788  1572.00  123.953   37.847   1.9844   40.182   1.5891 -2.334713 2.542250 
1 1 1   -5   11   28 o   59.269   0.9404  3409.96  102.506  3389.22  126.004  3450.52  176.264   59.032   1.0996   59.506   1.5259 -0.4746513 1.880847 
1 1 1   -5   11   29 o   18.935   2.1531  393.449   68.979  451.558   84.863  280.301  118.418   21.465   2.0367   16.406   3.7941 5.058990 4.306162 
1 1 1   -5   11   30 o   36.146   1.2014  1319.68   77.829  1392.57   95.059  1171.46  135.552   37.777   1.2963   34.516   2.0231 3.260914 2.402792 
1 1 1   -5   11   31 o   59.097   0.9627  3409.19  104.512  3388.88  128.362  3449.14  180.014   58.917   1.1224   59.276   1.5645 -0.3589020 1.925403 
1 1 1   -5   11   32 o   12.197   2.6591  148.203   67.097  117.107   83.065  206.584  113.817   10.673   3.4857   13.722   4.0166 -3.048919 5.318176 
1 1 1   -5   11   33 o   23.040   1.8981  517.154   77.744  479.448   91.635  614.011  146.867   21.831   2.1623   24.248   3.1202 -2.416945 3.796233 
1 1 1   -5   11   34 o   11.899   2.8573  155.857   75.659  156.857   91.190  153.647  135.537   11.839   3.6264   11.958   4.4167 -0.1186600 5.714693 
1 1 1   -5   11   35 o   41.489   1.2519  1706.41   94.292  1655.54  114.006  1816.54  167.757   40.786   1.4400   42.191   2.0483 -1.405876 2.503792 
1 1 1   -5   12    1 o  200.366   1.0938 38979.96  425.394 38772.40  598.159 39192.36  605.097  199.827   1.5421  200.905   1.5516 -1.078766 2.187522 
1 1 1   -5   12    2 o   81.756   0.6260  6488.30   99.347  6500.58  140.618  6476.06  140.378   81.833   0.8852   81.679   0.8854 0.1544876 1.251992 
1 1 1   -5   12    3 o   55.759   0.5843  3032.12   60.884  2965.06  100.256  3071.30   76.634   55.267   0.9345   56.250   0.7018 -0.9832497 1.168693 
1 1 1   -5   12    4 o   80.038   0.9359  6219.34  145.399  6306.24  205.989  6133.06  205.262   80.595   1.3166   79.481   1.3304 1.114571 1.871769 
1 1 1   -5   12    5 o  261.098   2.2872 66448.12  1120.93 66987.60  1418.10 65549.77  1829.96  262.565   2.7823  259.631   3.6310 2.934753 4.574393 
1 1 1   -5   12    6 o   41.427   0.5509  1672.75   44.088  1578.68   64.457  1755.46   60.436   40.328   0.8234   42.527   0.7321 -2.198471 1.101772 
1 1 1   -5   12    7 o   98.907   1.4259  9559.01  223.227  9395.42  484.341  9603.13  251.535   98.353   2.5369   99.460   1.3028 -1.106773 2.851842 
1 1 1   -5   12    8 o  201.765   1.2391 39522.12  485.286 39859.03  687.025 39186.63  685.574  202.624   1.7467  200.907   1.7579 1.716690 2.478135 
1 1 1   -5   12    9 o  100.426   0.9304  9789.95  181.373  9684.41  256.259  9895.89  256.743   99.883   1.3217  100.968   1.3099 -1.084801 1.860839 
1 1 1   -5   12   10 o  192.911   1.2484 36124.51  467.488 35871.87  657.101 36383.44  665.230  192.228   1.7610  193.594   1.7702 -1.365646 2.496897 
1 1 1   -5   12   11 o  505.169   1.7347 247793.50  1701.04 248456.41  2412.82 247138.41  2398.53  505.840   2.4572  504.497   2.4492 1.342743 3.469360 
1 1 1   -5   12   12 o  149.270   1.1604 21630.79  336.236 21590.71  475.732 21670.80  475.286  149.132   1.6433  149.408   1.6388 -0.2764130 2.320799 
1 1 1   -5   12   13 o  224.119   1.3395 48763.71  582.745 49432.69  827.413 48105.26  820.879  225.644   1.8890  222.593   1.8998 3.050644 2.679082 
1 1 1   -5   12   14 o  176.011   1.2506 30076.01  427.268 30320.76  606.803 29835.34  601.727  176.721   1.7689  175.301   1.7683 1.420273 2.501130 
1 1 1   -5   12   15 o  320.018   1.3863 99384.08  848.061 99087.73  1106.18 99806.62  1320.84  319.452   1.7838  320.583   2.1225 -1.130280 2.772556 
1 1 1   -5   12   16 o   77.351   0.7906  5852.23  114.811  5987.94  145.874  5631.31  186.116   78.540   0.9568   76.161   1.2589 2.378738 1.581221 
1 1 1   -5   12   17 o  109.449   0.9765 11578.98  199.856 11437.89  250.224 11827.57  332.143  108.539   1.1876  110.360   1.5504 -1.820976 1.953008 
1 1 1   -5   12   18 f   63.971   0.7552  3946.24   89.160  3888.28  109.774  4058.61  152.839   63.288   0.8935   64.654   1.2178 -1.366154 1.510442 
1 1 1   -5   12   19 o  118.600   1.0385 13631.96  229.804 13554.18  287.315 13770.08  382.865  118.143   1.2528  119.057   1.6566 -0.9143677 2.077002 
1 1 1   -5   12   20 o  115.012   1.0238 12892.76  219.982 13009.26  276.553 12692.05  362.988  115.736   1.2310  114.288   1.6362 1.447914 2.047506 
1 1 1   -5   12   21 o   63.498   0.7928  3889.91   92.945  3833.35  114.489  3999.25  159.181   62.832   0.9387   64.165   1.2780 -1.333427 1.585683 
1 1 1   -5   12   22 o  119.852   1.0569 14034.90  237.835 14260.82  301.657 13663.74  386.646  121.155   1.2826  118.550   1.6801 2.605141 2.113782 
1 1 1   -5   12   23 o  125.094   1.1273 15223.67  263.484 15251.93  330.689 15174.52  436.030  125.281   1.3598  124.907   1.7983 0.3741226 2.254531 
1 1 1   -5   12   24 o   75.791   0.9016  5539.82  126.153  5447.90  155.320  5717.99  216.252   74.888   1.0684   76.694   1.4526 -1.806114 1.803191 
1 1 1   -5   12   25 o   12.766   2.4023  165.778   59.723  169.762   76.502  159.561   95.566   12.912   3.0929   12.620   3.6766 0.2916422 4.804517 
1 1 1   -5   12   26 f   27.167   1.2725  673.726   64.582  561.563   79.229  895.820  111.487   24.015   1.6996   30.319   1.8943 -6.304434 2.544979 
1 1 1   -5   12   27 o   59.614   0.9050  3473.70   99.741  3514.06  123.869  3399.26  168.203   60.128   1.0613   59.100   1.4662 1.028503 1.809944 
1 1 1   -5   12   28 o   64.126   0.9380  4055.68  111.674  4191.54  140.231  3820.16  184.639   65.644   1.1005   62.607   1.5193 3.037060 1.875959 
1 1 1   -5   12   29 o   93.851   1.1238  8531.42  191.692  8404.19  232.444  8801.90  338.919   92.864   1.2894   94.837   1.8410 -1.972664 2.247654 
1 1 1   -5   12   30 o   18.694   1.9864  337.822   68.042  318.545   82.481  378.886  120.384   17.952   2.3669   19.436   3.1908 -1.483679 3.972857 
1 1 1   -5   12   31 o   30.637   1.3447  917.166   74.420  900.509   89.732  953.867  133.195   30.290   1.5261   30.984   2.2145 -0.6944504 2.689457 
1 1 1   -5   12   32 o   27.802   1.4220  777.829   72.293  796.647   89.174  741.748  123.477   28.419   1.6165   27.185   2.3399 1.234169 2.843939 
1 1 1   -5   12   33 o   23.544   1.9119  587.386   79.009  617.004   95.255  522.079  141.445   24.829   1.9764   22.259   3.2735 2.569475 3.823879 
1 1 1   -5   12   34 f   21.165   2.3169  523.512   80.307  582.520   96.756  392.846  143.980   23.988   2.0779   18.342   4.1417 5.645370 4.633746 
1 1 1   -5   13    1 o   82.816   0.7232  6633.18  112.622  6559.93  142.180  6756.55  184.510   82.206   0.8910   83.426   1.1394 -1.219460 1.446363 
1 1 1   -5   13    2 o  115.717   0.8027 12999.43  180.313 13152.20  255.322 12847.43  254.681  116.396   1.1300  115.039   1.1405 1.356720 1.605499 
1 1 1   -5   13    3 f   67.126   0.7065  4407.13   87.467  4482.84  108.476  4266.44  147.879   67.957   0.8223   66.294   1.1491 1.663704 1.413038 
1 1 1   -5   13    4 o  303.811   2.3555 89883.48  1368.99 88813.03  2118.16 90651.40  1794.05  302.212   3.6106  305.409   3.0261 -3.197205 4.711042 
1 1 1   -5   13    5 o  169.445   2.0727 27512.74  605.877 27066.13  706.769 28750.65  1176.68  166.935   2.1811  171.956   3.5251 -5.021332 4.145314 
1 1 1   -5   13    6 o  142.578   1.4198 19719.36  392.484 19335.61  539.869 20149.55  571.603  141.110   1.9709  144.047   2.0442 -2.936829 2.839592 
1 1 1   -5   13    7 o  249.225   1.6346 60153.84  774.347 61110.07  1231.25 59528.13  995.973  250.846   2.5286  247.603   2.0722 3.243576 3.269182 
1 1 1   -5   13    8 o  206.219   1.2569 41286.23  503.114 41618.27  711.406 40954.00  711.616  207.049   1.7700  205.389   1.7849 1.659424 2.513704 
1 1 1   -5   13    9 o  229.323   1.2974 51053.98  577.543 51248.80  815.942 50858.37  817.598  229.762   1.8294  228.884   1.8402 0.8771820 2.594815 
1 1 1   -5   13   10 o  350.417   1.5688 119212.40  1067.03 118690.00  1499.01 119749.00  1519.20  349.640   2.2086  351.195   2.2284 -1.555237 3.137500 
1 1 1   -5   13   11 o   94.277   0.9051  8627.64  165.646  8601.58  233.295  8654.13  235.235   94.134   1.2767   94.421   1.2834 -0.2870178 1.810299 
1 1 1   -5   13   12 o  102.280   0.9613 10151.25  190.831 10373.91  272.957  9938.36  266.898  103.377   1.3602  101.183   1.3589 2.193367 1.922670 
1 1 1   -5   13   13 o   74.013   0.8444  5317.55  121.313  5323.18  171.989  5311.97  171.138   74.052   1.1965   73.974   1.1918 0.7797241E-01 1.688746 
1 1 1   -5   13   14 o  197.350   1.3360 37809.89  511.786 37209.28  719.858 38423.75  727.757  195.765   1.8943  198.934   1.8846 -3.169495 2.672063 
1 1 1   -5   13   15 o  224.606   1.2747 48914.62  544.765 48633.82  702.869 49337.08  862.122  223.809   1.6178  225.403   1.9704 -1.593750 2.549443 
1 1 1   -5   13   16 o   31.462   0.7828  962.164   46.573  966.349   59.551  955.572   74.734   31.551   0.9723   31.373   1.2271 0.1779079 1.565654 
1 1 1   -5   13   17 o  118.338   1.0156 13622.30  225.682 13693.11  285.473 13504.29  368.526  118.756   1.2384  117.920   1.6100 0.8363342 2.031139 
1 1 1   -5   13   18 o   88.922   0.8723  7649.58  144.352  7580.62  179.724  7774.92  242.311   88.364   1.0478   89.480   1.3950 -1.116081 1.744675 
1 1 1   -5   13   19 o  106.911   0.9800 11108.42  194.687 11126.24  242.603 11076.19  326.293  107.042   1.1676  106.780   1.5742 0.2618408 1.959900 
1 1 1   -5   13   20 o   38.544   0.7985  1424.51   57.344  1380.13   71.149  1506.77   96.869   37.701   0.9722   39.387   1.2670 -1.686188 1.596982 
1 1 1   -5   13   21 o   73.732   0.8313  5234.47  113.784  5127.79  140.866  5434.73  193.007   72.668   0.9986   74.797   1.3293 -2.129196 1.662615 
1 1 1   -5   13   22 o   64.830   0.8181  4051.50   98.148  3981.74  121.149  4184.73  167.424   64.032   0.9747   65.628   1.3142 -1.596420 1.636196 
1 1 1   -5   13   23 o   69.112   0.8769  4681.10  111.444  4770.23  137.845  4512.90  189.356   70.082   1.0133   68.142   1.4315 1.939316 1.753836 
1 1 1   -5   13   24 o   53.781   0.8441  2847.87   85.136  2966.42  108.573  2658.59  137.184   55.262   1.0121   52.300   1.3512 2.961834 1.688262 
1 1 1   -5   13   25 o   36.830   0.9765  1331.05   66.206  1358.29   82.022  1280.11  112.156   37.387   1.1302   36.274   1.5928 1.113235 1.953032 
1 1 1   -5   13   26 o   50.668   0.8823  2521.75   83.618  2596.97  105.898  2397.20  136.274   51.694   1.0553   49.642   1.4142 2.052788 1.764529 
1 1 1   -5   13   27 o   56.054   0.9251  3066.99   95.124  3089.14  117.003  3023.80  163.371   56.374   1.0692   55.734   1.5101 0.6403008 1.850246 
1 1 1   -5   13   28 o   30.597   1.2405  859.895   70.832  730.812   86.770  1117.73  122.632   27.371   1.6331   33.824   1.8677 -6.452694 2.481021 
1 1 1   -5   13   29 o  100.682   1.1877  9891.77  217.615  9858.97  264.953  9959.74  381.478  100.550   1.3574  100.813   1.9493 -0.2631683 2.375403 
1 1 1   -5   13   30 f   28.897   1.3911  801.886   72.685  770.020   87.273  874.034  131.318   28.045   1.6031   29.750   2.2739 -1.704855 2.782202 
1 1 1   -5   13   31 o   52.365   0.9728  2699.58   93.763  2728.46  115.901  2644.90  159.510   52.852   1.1297   51.878   1.5840 0.9741631 1.945542 
1 1 1   -5   13   32 f   32.914   1.2738  1109.89   76.629  1201.47   96.154  950.491  126.857   34.964   1.4167   30.863   2.1174 4.101030 2.547638 
1 1 1   -5   13   33 o   11.786   2.7428  155.096   74.620  188.386   90.646   85.111  131.431   13.054   3.5038   10.517   4.2209 2.537262 5.485675 
1 1 1   -5   13   34 o   17.193   2.5666  319.921   78.798  291.428   95.587  380.350  139.205   16.323   3.1305   18.062   4.0681 -1.738892 5.133168 
1 1 1   -5   14    1 o  193.900   1.0777 36497.98  405.607 37135.07  577.502 35877.77  569.805  195.569   1.5212  192.230   1.5270 3.339508 2.155414 
1 1 1   -5   14    2 o  210.732   1.2770 43344.89  508.793 44137.67  652.834 42118.37  812.021  213.210   1.5774  208.253   2.0087 4.957764 2.553988 
1 1 1   -5   14    3 o  111.399   1.0508 12047.61  217.253 12045.32  270.193 12051.79  365.414  111.389   1.2496  111.409   1.6897 -0.1956940E-01 2.101533 
1 1 1   -5   14    4 o  122.633   1.2707 14596.43  302.406 14341.30  421.266 14867.67  434.367  121.528   1.7857  123.738   1.8084 -2.209373 2.541469 
1 1 1   -5   14    5 o  170.671   2.5217 28331.50  835.070 28881.94  1171.10 27762.10  1191.09  172.364   3.5001  168.979   3.6312 3.384918 5.043428 
1 1 1   -5   14    6 o  144.144   1.4692 20170.15  410.329 20091.88  562.734 20259.02  599.605  143.848   2.0153  144.441   2.1385 -0.5932617 2.938461 
1 1 1   -5   14    7 o  158.582   1.1400 24412.75  350.914 24812.73  497.991 24018.25  494.562  159.872   1.6047  157.292   1.6198 2.580597 2.280034 
1 1 1   -5   14    8 o  237.071   1.3917 54453.41  635.674 53683.82  845.845 55452.13  963.572  235.154   1.8530  238.988   2.0770 -3.834106 2.783461 
1 1 1   -5   14    9 o  164.816   1.1752 26352.21  375.849 25709.67  522.958 27038.67  540.538  162.740   1.6554  166.893   1.6685 -4.153015 2.350379 
1 1 1   -5   14   10 o  181.649   1.2392 32029.64  436.921 31766.72  614.008 32299.33  621.865  180.894   1.7486  182.404   1.7563 -1.509979 2.478328 
1 1 1   -5   14   11 o  347.086   1.5390 117023.10  1034.97 117897.80  1423.61 116042.50  1507.30  348.466   2.1046  345.705   2.2461 2.760834 3.078022 
1 1 1   -5   14   12 o  176.112   1.2613 30108.56  431.076 30017.21  601.997 30204.69  617.569  175.838   1.7637  176.386   1.8037 -0.5472717 2.522645 
1 1 1   -5   14   13 o  249.891   1.4953 60563.43  718.445 61146.68  1096.68 60124.92  950.908  250.936   2.2514  248.845   1.9685 2.091171 2.990642 
1 1 1   -5   14   14 o  286.615   1.4572 79767.46  810.724 80113.88  1144.71 79418.83  1148.38  287.239   2.0530  285.990   2.0686 1.249664 2.914393 
1 1 1   -5   14   15 o  282.461   1.4703 77482.03  806.109 78575.15  1142.29 76397.60  1137.74  284.446   2.0688  280.475   2.0897 3.970764 2.940521 
1 1 1   -5   14   16 o  129.571   1.0616 16301.78  258.130 16301.80  325.755 16301.74  423.169  129.578   1.2951  129.564   1.6825 0.1409912E-01 2.123235 
1 1 1   -5   14   17 o   26.841   0.8725  685.406   44.813  621.364   57.761  782.240   71.025   25.298   1.1762   28.383   1.2891 -3.085659 1.745052 
1 1 1   -5   14   18 o   62.815   0.7444  3823.94   87.229  3806.31  109.060  3855.23  145.324   62.617   0.8972   63.013   1.1881 -0.3961296 1.488817 
1 1 1   -5   14   19 o   79.699   0.8462  6132.32  125.327  6045.66  155.587  6292.44  211.494   78.908   1.0158   80.490   1.3536 -1.582291 1.692329 
1 1 1   -5   14   20 o   25.326   1.0884  649.603   50.430  717.820   63.717  535.218   82.507   27.186   1.2074   23.466   1.8113 3.720589 2.176824 
1 1 1   -5   14   21 o  100.146   0.9759  9708.65  181.000  9628.67  224.086  9858.79  307.009   99.568   1.1594  100.723   1.5702 -1.154938 1.951851 
1 1 1   -5   14   22 o   30.462   0.9745  886.037   56.345  831.982   71.556  974.246   91.407   29.264   1.2597   31.661   1.4873 -2.397259 1.949031 
1 1 1   -5   14   23 o   39.931   0.8808  1514.41   64.452  1448.43   78.268  1653.41  113.600   38.616   1.0441   41.246   1.4188 -2.629345 1.761613 
1 1 1   -5   14   24 o   59.265   0.8402  3395.85   92.724  3353.72  115.460  3472.38  155.612   58.759   1.0123   59.771   1.3412 -1.012283 1.680315 
1 1 1   -5   14   25 o   49.611   0.8807  2429.12   81.256  2529.84  102.469  2258.48  133.370   51.029   1.0345   48.193   1.4256 2.835777 1.761405 
1 1 1   -5   14   26 o   64.394   0.9228  4085.98  110.451  4229.58  138.943  3839.45  182.052   65.970   1.0850   62.817   1.4930 3.152863 1.845585 
1 1 1   -5   14   27 o   75.468   0.9417  5502.09  131.788  5412.01  163.104  5671.51  223.678   74.610   1.1262   76.326   1.5097 -1.716423 1.883456 
1 1 1   -5   14   28 o   20.231   1.8587  363.774   69.251  280.333   83.519  547.354  123.883   16.886   2.5479   23.577   2.7069 -6.690100 3.717385 
1 1 1   -5   14   29 o   23.454   1.6540  500.183   70.889  428.101   84.688  668.916  129.572   20.881   2.0893   26.026   2.5647 -5.145052 3.307992 
1 1 1   -5   14   30 o   48.686   1.0079  2347.93   89.606  2412.41  110.355  2223.15  153.519   49.741   1.1429   47.630   1.6604 2.111309 2.015740 
1 1 1   -5   14   31 o   45.647   1.0030  2050.01   83.853  2063.71  103.012  2023.09  144.362   45.953   1.1548   45.341   1.6402 0.6122665 2.005950 
1 1 1   -5   14   32 o   31.449   1.3366  974.034   77.323  957.771   94.923  1006.11  133.308   31.170   1.5688   31.727   2.1645 -0.5567188 2.673255 
1 1 1   -5   14   33 o   23.139   1.7976  539.033   76.721  519.911   94.182  576.751  132.272   22.713   2.1361   23.564   2.8918 -0.8501701 3.595145 
1 1 1   -5   14   34 o   12.660   2.7271  194.459   76.206  234.698   92.222  107.827  135.316   14.478   3.3482   10.842   4.3055 3.636333 5.454164 
1 1 1   -5   15    1 o  108.957   0.7760 11520.35  164.105 11834.38  234.458 11218.73  229.773  110.412   1.0939  107.502   1.1011 2.910416 1.552097 
1 1 1   -5   15    2 o  221.204   1.3165 47653.27  547.451 48074.57  694.258 46960.60  890.190  222.515   1.6073  219.894   2.0855 2.621140 2.632982 
1 1 1   -5   15    3 o  262.207   1.5707 66868.66  763.477 67085.84  949.012 66470.20  1285.41  262.839   1.8600  261.576   2.5315 1.263855 3.141364 
1 1 1   -5   15    4 o  255.372   1.9773 63316.08  979.511 62227.89  1355.57 64505.05  1416.94  253.081   2.7593  257.663   2.8329 -4.582077 3.954637 
1 1 1   -5   15    5 o  261.088   2.3240 66073.66  1131.48 65649.64  1413.42 66830.27  1888.03  259.966   2.8008  262.210   3.7093 -2.244141 4.647992 
1 1 1   -5   15    6 o  206.213   2.3027 41596.82  869.700 42188.90  1069.94 40443.80  1493.10  208.424   2.6445  204.003   3.7704 4.421082 4.605376 
1 1 1   -5   15    7 o  209.711   1.3534 42640.66  545.288 42309.10  719.948 43086.79  835.111  208.760   1.7766  210.662   2.0422 -1.901779 2.706801 
1 1 1   -5   15    8 o  396.680   1.6019 152775.20  1233.49 153575.80  1748.56 151982.09  1740.30  397.715   2.2649  395.646   2.2660 2.069061 3.203785 
1 1 1   -5   15    9 o  304.305   1.5301 89896.25  903.799 89247.47  1268.57 90565.04  1287.98  303.191   2.1554  305.420   2.1724 -2.229065 3.060286 
1 1 1   -5   15   10 o  127.554   1.4895 15796.70  368.797 15659.08  521.267 15934.64  521.850  126.997   2.1145  128.110   2.0984 -1.112862 2.978994 
1 1 1   -5   15   11 o   85.890   0.8966  7160.73  149.471  7189.31  212.934  7132.95  209.866   86.059   1.2746   85.722   1.2612 0.3378906 1.793129 
1 1 1   -5   15   12 o  181.478   1.2484 31971.29  439.751 32210.15  625.975 31738.54  617.909  182.147   1.7704  180.809   1.7605 1.338135 2.496737 
1 1 1   -5   15   13 o  342.024   1.5004 113588.60  996.142 113820.40  1408.00 113356.40  1409.52  342.373   2.1185  341.674   2.1252 0.6990967 3.000759 
1 1 1   -5   15   14 o  214.481   1.3575 44668.38  565.190 44779.33  798.513 44556.98  800.087  214.748   1.9155  214.214   1.9241 0.5342255 2.715019 
1 1 1   -5   15   15 o  204.458   1.3794 40594.47  547.460 40748.59  777.147 40442.64  771.336  204.843   1.9544  204.073   1.9471 0.7700043 2.758810 
1 1 1   -5   15   16 o  129.695   1.0527 16344.84  256.979 16379.79  325.919 16287.41  417.805  129.886   1.2927  129.505   1.6620 0.3813171 2.105495 
1 1 1   -5   15   17 o  191.587   1.2459 35604.28  453.332 35421.29  582.826 35884.57  721.301  190.979   1.5721  192.195   1.9333 -1.215790 2.491867 
1 1 1   -5   15   18 o   79.674   0.8193  6166.11  121.727  6172.82  152.335  6154.25  202.463   79.738   0.9842   79.610   1.3101 0.1282806 1.638602 
1 1 1   -5   15   19 o   92.367   1.6244  8530.64  189.537  8606.99  202.574  7994.10  537.000   94.146   1.1085   90.587   3.0538 3.558830 3.248758 
1 1 1   -5   15   20 o  114.772   1.0466 12820.02  224.697 12881.31  282.640 12714.74  370.411  115.161   1.2643  114.383   1.6682 0.7779694 2.093223 
1 1 1   -5   15   21 o   42.392   0.8133  1698.89   63.354  1608.79   77.010  1887.56  111.438   40.703   0.9747   44.080   1.3023 -3.377327 1.626667 
1 1 1   -5   15   22 o   85.419   0.9287  7111.90  148.946  7179.83  188.571  6999.22  242.870   85.974   1.1299   84.863   1.4743 1.111610 1.857497 
1 1 1   -5   15   23 o   83.308   0.9290  6822.31  145.033  7062.42  184.413  6433.01  234.814   85.266   1.1142   81.350   1.4870 3.915298 1.858077 
1 1 1   -5   15   24 o   68.483   0.8753  4591.12  111.766  4681.75  140.534  4435.15  184.363   69.422   1.0429   67.544   1.4061 1.877396 1.750628 
1 1 1   -5   15   25 o   44.815   0.9133  1954.64   76.416  1960.81   95.834  1943.88  126.626   44.922   1.0990   44.708   1.4591 0.2135124 1.826647 
1 1 1   -5   15   26 o  116.144   1.1872 13079.69  255.652 12952.46  316.868 13316.96  432.713  115.391   1.4146  116.897   1.9069 -1.505760 2.374336 
1 1 1   -5   15   27 o   38.129   1.0801  1433.48   75.582  1472.72   93.521  1359.57  128.336   38.912   1.2381   37.346   1.7703 1.566216 2.160295 
1 1 1   -5   15   28 f   52.441   0.9489  2722.28   91.555  2822.50  113.894  2539.23  153.920   53.860   1.0894   51.021   1.5541 2.838818 1.897869 
1 1 1   -5   15   29 o   48.886   1.0148  2378.78   89.504  2464.04  109.270  2204.94  156.033   50.298   1.1191   47.474   1.6931 2.823936 2.029575 
1 1 1   -5   15   30 o   21.819   1.7588  461.670   69.124  444.218   82.800  501.804  125.565   21.238   2.0084   22.399   2.8878 -1.161829 3.517549 
1 1 1   -5   15   31 o   18.098   2.0124  322.007   68.825  291.687   86.375  374.736  113.906   17.025   2.6136   19.171   3.0609 -2.145891 4.024887 
1 1 1   -5   15   32 o   12.372   2.7115  130.276   70.262   70.701   83.789  271.411  128.966   9.1737   3.4559   15.571   4.1793 -6.396904 5.423078 
1 1 1   -5   15   33 o   12.021   2.8713  146.919   76.511  116.965   94.134  205.230  131.337   10.640   3.7101   13.402   4.3833 -2.762486 5.742619 
1 1 1   -5   15   34 o   14.048   2.7378  250.332   79.902  297.666   95.478  139.707  145.962   16.476   3.0990   11.620   4.5142 4.855921 5.475583 
1 1 1   -5   16    1 o  135.321   1.0456 17827.94  263.699 17956.93  330.271 17601.09  437.978  136.004   1.2510  134.639   1.6758 1.365677 2.091224 
1 1 1   -5   16    2 o  162.760   1.1331 25692.19  344.447 25616.90  431.488 25824.45  571.897  162.440   1.3684  163.081   1.8065 -0.6417389 2.266297 
1 1 1   -5   16    3 o  141.391   1.0672 19470.68  281.948 19640.11  354.472 19178.88  465.198  142.236   1.2838  140.546   1.7051 1.690857 2.134397 
1 1 1   -5   16    4 o  155.547   1.9311 23492.35  583.069 23492.35  583.069   0.0000   0.0000  155.547   1.9311  ?   ?       ?      ? 
1 1 1   -5   16    5 o  129.475   2.0431 15880.08  410.230 15622.28  456.666 16957.81  933.717  126.849   1.8546  132.101   3.6412 -5.252357 4.086282 
1 1 1   -5   16    6 o   92.020   0.9490  8169.95  159.498  8074.59  194.395  8366.38  279.004   91.206   1.0980   92.835   1.5482 -1.628983 1.898047 
1 1 1   -5   16    7 o  130.159   1.1684 16446.54  295.191 16404.56  419.695 16487.64  415.268  129.994   1.6632  130.323   1.6415 -0.3290710 2.336829 
1 1 1   -5   16    8 o  292.082   1.6930 82854.30  941.276 82721.92  1484.04 82943.41  1217.51  291.876   2.6193  292.288   2.1458 -0.4112244 3.386035 
1 1 1   -5   16    9 o  172.855   1.2102 28998.98  405.991 28656.52  567.823 29357.16  580.709  171.811   1.7025  173.899   1.7203 -2.087326 2.420324 
1 1 1   -5   16   10 f  300.637   1.4795 87774.63  860.027 87993.24  1166.35 87514.13  1273.19  301.052   1.9958  300.222   2.1847 0.8297424 2.959065 
1 1 1   -5   16   11 o  140.629   1.1362 19199.70  310.143 19300.42  436.805 19097.30  440.435  141.001   1.5959  140.257   1.6177 0.7442780 2.272383 
1 1 1   -5   16   12 o   59.231   1.7620  3412.90  202.220  3215.59  288.329  3603.91  283.692   57.542   2.5813   60.919   2.3990 -3.377892 3.523958 
1 1 1   -5   16   13 o   61.112   2.1008  3644.29  242.014  3698.52  308.716  3557.82  389.818   61.711   2.5771   60.514   3.3185 1.197403 4.201660 
1 1 1   -5   16   14 o  252.339   1.4202 61826.50  695.606 61048.22  977.600 62624.63  989.988  250.731   2.0086  253.948   2.0083 -3.216614 2.840333 
1 1 1   -5   16   15 f  157.855   1.2510 24195.78  383.317 23882.76  540.028 24513.63  544.181  156.826   1.7739  158.884   1.7644 -2.058197 2.501975 
1 1 1   -5   16   16 o   45.500   0.6759  1991.03   57.943  1934.72   73.093  2086.27   95.054   44.643   0.8434   46.357   1.0563 -1.713387 1.351733 
1 1 1   -5   16   17 o   95.446   0.9025  8869.49  160.817  8934.45  201.874  8756.67  266.042   95.930   1.0841   94.961   1.4432 0.9693451 1.805038 
1 1 1   -5   16   18 o  114.144   1.0298 12592.21  218.426 12444.25  271.283 12864.92  368.306  113.205   1.2345  115.082   1.6487 -1.876816 2.059639 
1 1 1   -5   16   19 o  146.801   1.1614 20798.01  319.180 20415.83  399.680 21470.85  530.310  144.972   1.4202  148.629   1.8381 -3.656921 2.322834 
1 1 1   -5   16   20 o   28.595   0.9745  786.527   52.660  761.542   66.700  827.875   85.802   28.001   1.2271   29.190   1.5143 -1.188557 1.949066 
1 1 1   -5   16   21 o   62.688   0.7997  3796.02   92.866  3748.20  114.896  3886.12  157.714   62.128   0.9527   63.248   1.2846 -1.119843 1.599304 
1 1 1   -5   16   22 o   86.623   0.9389  7259.14  151.163  7182.12  187.860  7400.60  254.594   85.988   1.1255   87.259   1.5030 -1.271118 1.877718 
1 1 1   -5   16   23 o  122.562   1.2339 14387.33  278.243 13932.80  340.178 15306.06  483.641  119.721   1.4638  125.403   1.9868 -5.681389 2.467769 
1 1 1   -5   16   24 o   84.836   0.9625  6965.64  151.379  6893.75  187.553  7100.02  256.408   84.230   1.1471   85.442   1.5460 -1.211746 1.925038 
1 1 1   -5   16   25 o   29.892   1.1333  858.263   63.272  829.991   78.730  909.823  106.322   29.215   1.3883   30.569   1.7918 -1.353603 2.266640 
1 1 1   -5   16   26 o   67.383   3.9962  4582.44  142.938  4583.20  144.374  4544.71  1015.98   68.671   1.0831   66.095   7.9187 2.576576 7.992405 
1 1 1   -5   16   27 o   78.094   0.9671  5895.35  140.323  5799.26  174.093  6073.55  237.077   77.222   1.1614   78.966   1.5466 -1.744667 1.934129 
1 1 1   -5   16   28 o   43.659   0.9868  1805.00   78.708  1709.49   95.123  2012.36  140.161   41.907   1.1693   45.412   1.5900 -3.504860 1.973680 
1 1 1   -5   16   29 o   50.684   1.0231  2556.19   93.336  2642.27  113.651  2377.85  163.585   52.080   1.1242   49.287   1.7098 2.793030 2.046248 
1 1 1   -5   16   30 o   15.700   2.3580  245.428   66.955  215.227   82.200  304.971  115.419   14.386   3.0388   17.015   3.6065 -2.629307 4.716050 
1 1 1   -5   16   31 o   24.051   1.5938  567.969   70.704  547.563   86.691  608.507  122.190   23.514   1.8993   24.588   2.5601 -1.074207 3.187664 
1 1 1   -5   16   32 o   15.010   2.5229  256.461   73.135  297.977   91.252  181.899  122.289   17.085   2.7514   12.935   4.2295 4.149963 5.045734 
1 1 1   -5   16   33 o   13.815   2.7679  207.243   73.511  188.014   88.686  249.460  131.408   13.011   3.4538   14.619   4.3262 -1.607809 5.535758 
1 1 1   -5   16   34 o   10.820   2.9545   96.503   80.941   60.276   95.395  189.622  152.943   8.9258   3.5912   12.714   4.6926 -3.788576 5.909039 
1 1 1   -5   17    1 o   62.442   0.6360  3802.12   73.021  3839.98   90.095  3729.65  124.663   62.898   0.7379   61.986   1.0360 0.9119148 1.271971 
1 1 1   -5   17    2 o  264.933   1.4553 68253.78  737.558 68743.30  966.231 67570.29  1141.73  266.083   1.8707  263.783   2.2297 2.300293 2.910510 
1 1 1   -5   17    3 o   83.114   0.7864  6734.31  120.891  6801.33  150.121  6610.65  203.906   83.707   0.9239   82.522   1.2729 1.184906 1.572841 
1 1 1   -5   17    4 o  319.463   2.1703 99135.44  1345.86 100169.80  1907.52 98110.14  1899.17  321.123   3.0601  317.803   3.0785 3.320099 4.340663 
1 1 1   -5   17    5 o  260.861   2.3494 66025.44  1142.78 65820.16  1428.53 66390.30  1904.49  260.330   2.8268  261.391   3.7534 -1.061676 4.698812 
1 1 1   -5   17    6 o   80.796   0.9623  6337.27  150.902  6361.74  211.603  6311.96  215.258   80.955   1.3465   80.637   1.3752 0.3175583 1.924644 
1 1 1   -5   17    7 o  429.083   1.8682 177972.00  1515.60 182282.91  2451.28 175304.20  1928.37  433.249   2.9147  424.916   2.3379 8.333466 3.736444 
1 1 1   -5   17    8 o   39.443   1.9530  1566.03  142.282  1308.05  229.116  1727.96  181.527   36.699   3.2162   42.187   2.2166 -5.488598 3.906063 
1 1 1   -5   17    9 o   39.927   1.6799  1547.49  130.176  1507.92  182.559  1588.43  185.673   39.408   2.3865   40.446   2.3649 -1.038380 3.359739 
1 1 1   -5   17   10 o  126.124   1.0781 15442.20  263.932 15578.96  373.606 15305.95  372.908  126.681   1.5193  125.566   1.5299 1.115044 2.156107 
1 1 1   -5   17   11 o  164.990   1.2143 26428.73  388.878 26732.55  549.429 26123.74  550.486  165.940   1.7057  164.039   1.7288 1.900986 2.428561 
1 1 1   -5   17   12 o  168.508   1.2468 27565.88  407.827 27296.16  573.714 27841.40  579.845  167.675   1.7626  169.341   1.7639 -1.666336 2.493663 
1 1 1   -5   17   13 o  171.778   1.2539 28641.17  418.046 29157.06  597.020 28144.89  585.559  173.295   1.7747  170.261   1.7717 3.034378 2.507721 
1 1 1   -5   17   14 o  150.656   1.6053 22045.03  469.459 22159.41  663.585 21930.42  664.247  151.048   2.2632  150.265   2.2772 0.7830963 3.210566 
1 1 1   -5   17   15 o   39.106   2.3483  1483.83  177.739  1652.72  257.591  1330.34  245.562   41.228   3.2186   36.985   3.4204 4.243111 4.696650 
1 1 1   -5   17   16 o   93.305   0.8886  8438.56  154.814  8400.96  193.804  8504.86  257.350   93.023   1.0733   93.587   1.4166 -0.5640335 1.777260 
1 1 1   -5   17   17 o  145.568   1.1221 20575.75  307.721 20564.66  390.576 20593.91  499.672  145.527   1.3826  145.609   1.7678 -0.8219910E-01 2.244255 
1 1 1   -5   17   18 o   65.664   0.7506  4219.45   92.754  4326.55  118.341  4048.86  149.357   66.756   0.9132   64.572   1.1916 2.184082 1.501262 
1 1 1   -5   17   19 o   97.193   0.9462  9197.63  171.937  9258.36  216.208  9093.16  283.587   97.640   1.1407   96.745   1.5100 0.8951111 1.892480 
1 1 1   -5   17   20 f  105.682   1.5815 10675.32  224.297 10603.04  241.316 11134.21  608.044  104.483   1.1898  106.881   2.9307 -2.397614 3.162999 
1 1 1   -5   17   21 o   59.372   0.7858  3370.87   85.662  3266.17  104.500  3585.35  149.565   57.995   0.9282   60.750   1.2683 -2.754375 1.571688 
1 1 1   -5   17   22 o   80.596   0.9064  6287.71  135.448  6232.40  167.899  6390.80  229.212   80.103   1.0798   81.090   1.4561 -0.9869385 1.812811 
1 1 1   -5   17   23 o  134.767   1.2367 17775.45  314.359 18142.50  402.030 17197.93  504.293  136.605   1.5161  132.928   1.9543 3.677124 2.473457 
1 1 1   -5   17   24 o   52.867   3.4691  3323.51  113.049  3360.54  114.944  2227.75  625.229   58.815   1.0068   46.919   6.8648 11.89638 6.938245 
1 1 1   -5   17   25 o   18.555   1.7267  330.539   60.978  309.090   77.831  364.631   98.124   17.797   2.2529   19.312   2.6175 -1.514826 3.453479 
1 1 1   -5   17   26 o   33.753   1.0826  1093.53   69.028  1045.67   87.181  1173.95  113.013   32.786   1.3698   34.720   1.6768 -1.933697 2.165194 
1 1 1   -5   17   27 o   84.188   1.0010  6977.91  156.966  7188.83  197.712  6618.32  258.154   85.967   1.1848   82.408   1.6138 3.559074 2.001985 
1 1 1   -5   17   28 o   9.9639   2.5708   82.434   66.206  116.578   80.038   8.4489  117.818   10.859   3.4093   9.0686   3.8487 1.790758 5.141581 
1 1 1   -5   17   29 o   29.399   1.3779  867.910   72.807  903.146   88.757  795.429  127.297   30.400   1.5040   28.399   2.3092 2.001532 2.755796 
1 1 1   -5   17   30 o   18.453   2.1118  353.796   69.873  369.605   87.505  325.983  116.069   19.299   2.3358   17.608   3.5188 1.690426 4.223506 
1 1 1   -5   17   31 o   25.322   1.6307  639.444   73.401  635.625   87.704  648.375  134.108   25.353   1.7821   25.292   2.7316 0.6098747E-01 3.261493 
1 1 1   -5   17   32 o   15.747   2.4738  274.541   71.018  291.210   86.317  239.615  124.946   16.910   2.6297   14.585   4.1910 2.324991 4.947697 
1 1 1   -5   17   33 o   12.376   2.6164  179.252   77.828  259.270   96.605   31.270  131.374   15.345   3.3381   9.4059   4.0298 5.939284 5.232757 
1 1 1   -5   17   34 o   19.753   2.3947  436.398   82.038  442.019   99.182  424.220  145.976   20.612   2.4788   18.894   4.0980 1.718369 4.789408 
1 1 1   -5   18    1 o  130.281   1.0251 16564.93  248.527 16792.16  311.218 16164.97  412.897  131.525   1.2190  129.038   1.6484 2.486710 2.050140 
1 1 1   -5   18    2 o  162.505   1.1394 25653.80  345.654 25698.23  433.257 25575.99  573.301  162.704   1.3718  162.307   1.8196 0.3975830 2.278771 
1 1 1   -5   18    3 o   66.827   0.6724  4350.11   82.169  4380.89  100.739  4288.92  142.033   67.182   0.7725   66.471   1.1008 0.7106171 1.344753 
1 1 1   -5   18    4 o  216.928   1.3318 45697.76  541.973 45730.96  683.787 45641.67  888.866  217.042   1.6230  216.814   2.1119 0.2273254 2.663527 
1 1 1   -5   18    5 o  107.191   2.6579 11163.69  552.881 11181.42  773.021 11145.13  791.075  107.280   3.7120  107.103   3.8050 0.1768875 5.315710 
1 1 1   -5   18    6 o  127.984   1.3813 15902.83  343.100 16299.88  486.210 15509.01  484.229  129.575   1.9330  126.392   1.9736 3.183228 2.762569 
1 1 1   -5   18    7 o  206.851   1.3717 41539.55  543.844 41543.96  714.692 41533.49  838.214  206.868   1.7798  206.834   2.0877 0.3387451E-01 2.743363 
1 1 1   -5   18    8 o  281.509   1.8097 76855.54  944.700 77273.00  1594.02 76629.52  1172.87  282.079   2.9111  280.939   2.1507 1.139862 3.619380 
1 1 1   -5   18    9 o  117.843   1.0785 13489.94  245.746 13378.22  363.220 13584.25  333.724  117.392   1.5939  118.295   1.4533 -0.9024353 2.157004 
1 1 1   -5   18   10 o  241.349   1.3485 56553.10  631.746 56777.00  892.694 56328.46  894.155  241.828   1.9017  240.870   1.9123 0.9575043 2.696907 
1 1 1   -5   18   11 o  150.265   1.2002 21904.85  349.923 21424.63  485.728 22422.98  504.540  148.555   1.6844  151.976   1.7102 -3.421204 2.400431 
1 1 1   -5   18   12 o  171.144   1.2454 28433.04  413.729 27970.24  581.347 28907.98  588.929  169.733   1.7644  172.555   1.7582 -2.822006 2.490880 
1 1 1   -5   18   13 o  203.278   1.3409 40116.52  529.079 39662.62  741.752 40586.63  754.883  202.108   1.8906  204.448   1.9021 -2.340149 2.681883 
1 1 1   -5   18   14 o  211.288   1.3742 43339.62  563.513 42717.41  787.420 43992.82  806.789  209.735   1.9341  212.842   1.9527 -3.106903 2.748395 
1 1 1   -5   18   15 o  122.043   1.1450 14464.22  271.247 14538.27  382.893 14389.62  384.315  122.357   1.6121  121.729   1.6264 0.6276855 2.289965 
1 1 1   -5   18   16 o   50.412   0.7740  2463.26   75.656  2311.40  104.844  2628.25  109.282   48.793   1.1069   52.030   1.0820 -3.237305 1.547917 
1 1 1   -5   18   17 o   51.860   0.7087  2628.78   69.505  2693.48   89.382  2529.82  110.548   52.674   0.8742   51.045   1.1156 1.628563 1.417324 
1 1 1   -5   18   18 o  137.380   1.1037 18384.87  285.271 18541.49  362.169 18128.86  463.032  138.169   1.3503  136.592   1.7463 1.576660 2.207474 
1 1 1   -5   18   19 o  105.431   0.9857 10710.57  193.477 10497.11  240.410 11102.96  325.950  103.964   1.1912  106.898   1.5708 -2.933922 1.971404 
1 1 1   -5   18   20 o  105.531   1.0066 10760.28  197.673 10613.99  245.843 11027.86  332.476  104.536   1.2115  106.525   1.6078 -1.989502 2.013180 
1 1 1   -5   18   21 o  139.888   1.1520 19067.13  303.208 19202.77  384.854 18845.15  492.330  140.573   1.4104  139.202   1.8220 1.371155 2.304068 
1 1 1   -5   18   22 o   40.673   0.8916  1589.53   66.924  1551.63   82.222  1663.93  115.197   39.968   1.0598   41.377   1.4342 -1.408482 1.783279 
1 1 1   -5   18   23 o  107.951   1.1411 11307.46  227.692 11250.25  281.501 11415.71  387.221  107.589   1.3479  108.313   1.8417 -0.7242813 2.282214 
1 1 1   -5   18   24 o   28.376   1.1684  789.825   60.268  801.957   73.638  765.212  104.889   28.721   1.3208   28.030   1.9277 0.6914673 2.336796 
1 1 1   -5   18   25 o   40.021   0.9883  1579.00   73.611  1636.37   92.776  1481.52  120.937   41.029   1.1649   39.014   1.5969 2.015652 1.976622 
1 1 1   -5   18   26 o   33.724   1.1379  1117.55   69.978  1137.77   85.821  1077.44  120.879   34.203   1.2926   33.246   1.8731 0.9568825 2.275780 
1 1 1   -5   18   27 o   64.870   0.9165  4020.12  108.959  3874.40  132.547  4323.81  191.349   63.118   1.0818   66.621   1.4796 -3.502975 1.832911 
1 1 1   -5   18   28 o   20.943   1.7477  435.964   67.663  446.218   84.353  417.460  113.312   21.339   2.0364   20.547   2.8409 0.7918415 3.495420 
1 1 1   -5   18   29 o   28.737   1.3779  829.481   70.636  860.548   85.525  762.817  125.284   29.674   1.4848   27.800   2.3216 1.873648 2.755789 
1 1 1   -5   18   30 o   54.363   0.9850  2905.34   96.851  2927.42  117.603  2858.78  170.737   54.771   1.1061   53.955   1.6302 0.8160629 1.970002 
1 1 1   -5   18   31 o   44.323   1.0684  1911.84   87.343  1865.23  107.302  2003.36  150.363   43.623   1.2672   45.023   1.7204 -1.400822 2.136732 
1 1 1   -5   18   32 o   20.181   2.2080  488.164   72.329  594.803   89.317  285.018  123.277   24.435   1.8830   15.927   3.9944 8.507773 4.415976 
1 1 1   -5   18   33 o   21.155   2.0337  440.833   77.695  397.634   92.391  545.159  143.578   19.712   2.4145   22.598   3.2731 -2.885887 4.067330 
1 1 1   -5   18   34 o   8.2227   2.6050  -5.7319   81.006  -1.7790   98.111 -14.1980  143.583   7.6489   3.3759   8.7965   3.9683 -1.147551 5.209958 
1 1 1   -5   19    1 o  208.584   1.3020 42239.33  508.571 42240.95  639.881 42236.54  838.001  208.596   1.5803  208.571   2.0698 0.2536011E-01 2.604077 
1 1 1   -5   19    2 o  300.741   1.5191 87688.91  870.707 87152.28  1127.25 88482.63  1370.94  299.612   1.9382  301.870   2.3396 -2.258240 3.038106 
1 1 1   -5   19    3 o   41.056   0.4788  1616.98   31.685  1602.09   35.827  1670.43   67.878   40.628   0.4543   41.484   0.8429 -0.8566246 0.9575258 
1 1 1   -5   19    4 o  153.376   1.1834 22860.92  345.566 22961.35  447.568 22712.68  543.767  153.797   1.4992  152.956   1.8314 0.8408966 2.366741 
1 1 1   -5   19    5 o  115.744   1.9844 12823.68  276.495 12773.40  292.438 13247.50  848.995  114.713   1.3133  116.776   3.7453 -2.063309 3.968875 
1 1 1   -5   19    6 o  457.876   2.9309 203605.00  2601.84 201764.59  3584.22 205655.09  3782.93  455.701   4.0518  460.052   4.2360 -4.350281 5.861822 
1 1 1   -5   19    7 o  237.211   1.4319 54626.59  656.281 54603.14  886.346 54655.04  976.423  237.158   1.9253  237.264   2.1200 -0.1064758 2.863791 
1 1 1   -5   19    8 o  250.407   1.5558 60869.45  755.688 61181.89  1091.45 60581.78  1047.32  251.023   2.2399  249.792   2.1599 1.230865 3.111646 
1 1 1   -5   19    9 f   30.087   2.8888  985.507  140.987  697.622  254.878  1112.43  169.236   26.328   5.1717   33.846   2.5759 -7.518309 5.777676 
1 1 1   -5   19   10 o   88.772   0.9407  7658.98  161.786  7483.34  234.632  7818.19  223.381   87.800   1.3767   89.744   1.2823 -1.943779 1.881320 
1 1 1   -5   19   11 o   99.836   1.8142  9568.09  341.736 10145.76  560.015  9225.36  431.362  102.202   2.8228   97.469   2.2799 4.733154 3.628469 
1 1 1   -5   19   12 o  252.245   1.3954 61777.58  683.219 62478.59  968.267 61082.47  964.180  253.670   1.9664  250.819   1.9803 2.850861 2.790726 
1 1 1   -5   19   13 o  168.763   1.2588 27651.55  412.363 27432.73  578.689 27877.28  587.757  168.085   1.7736  169.441   1.7870 -1.355942 2.517697 
1 1 1   -5   19   14 o  184.543   1.3056 33071.95  467.671 33074.16  658.422 33069.70  664.392  184.550   1.8379  184.536   1.8547 0.1333618E-01 2.611115 
1 1 1   -5   19   15 o   74.707   0.8678  5414.45  125.759  5531.59  181.925  5307.25  174.037   75.480   1.2416   73.934   1.2126 1.545876 1.735549 
1 1 1   -5   19   16 o  154.765   1.2644 23265.10  379.852 23588.45  538.377 22944.58  536.013  155.837   1.7797  153.694   1.7966 2.142670 2.528876 
1 1 1   -5   19   17 o  172.451   1.2044 28935.39  394.056 29113.87  507.104 28663.34  626.068  173.138   1.5088  171.763   1.8777 1.375183 2.408803 
1 1 1   -5   19   18 o  116.462   1.0221 13230.83  223.889 13404.08  284.450 12948.74  362.964  117.481   1.2473  115.444   1.6197 2.036957 2.044286 
1 1 1   -5   19   19 o   79.712   0.8461  6189.56  125.819  6238.64  157.820  6103.96  208.422   80.154   1.0143   79.270   1.3545 0.8843002 1.692159 
1 1 1   -5   19   20 o   64.926   0.8007  4000.78   95.489  3819.18  116.196  4378.55  167.587   62.715   0.9545   67.138   1.2859 -4.423420 1.601418 
1 1 1   -5   19   21 o   86.182   0.9121  7141.61  146.777  6952.04  182.820  7485.37  246.194   84.601   1.1132   87.763   1.4451 -3.162399 1.824174 
1 1 1   -5   19   22 o  128.951   1.1851 16272.07  287.896 16610.45  367.514 15734.59  463.179  130.728   1.4482  127.174   1.8762 3.553963 2.370160 
1 1 1   -5   19   23 o   18.409   1.7165  356.158   55.570  421.020   71.671  258.394   87.991   20.802   1.7749   16.015   2.9386 4.786488 3.433015 
1 1 1   -5   19   24 o   86.915   2.1802  7238.77  185.942  7213.87  192.553  7582.91  715.734   86.159   1.1513   87.672   4.2056 -1.513512 4.360302 
1 1 1   -5   19   25 o   39.310   0.9646  1507.59   71.029  1520.76   89.614  1485.33  116.491   39.553   1.1672   39.068   1.5361 0.4853325 1.929187 
1 1 1   -5   19   26 o   35.189   1.0905  1214.46   72.377  1245.25   92.695  1166.37  115.847   35.778   1.3347   34.600   1.7248 1.178257 2.180926 
1 1 1   -5   19   27 o   18.135   1.9328  310.826   65.298  281.437   80.155  368.812  112.590   16.936   2.4381   19.334   2.9999 -2.398102 3.865673 
1 1 1   -5   19   28 o   16.675   2.1875  271.450   65.703  251.849   80.023  311.995  115.094   15.978   2.5800   17.372   3.5334 -1.393373 4.375061 
1 1 1   -5   19   29 o   35.771   1.2010  1249.61   77.871  1242.39   94.419  1264.97  137.703   35.670   1.3636   35.873   1.9775 -0.2034798 2.402053 
1 1 1   -5   19   30 o   40.305   1.0724  1535.29   78.653  1434.65   94.502  1762.14  141.888   38.300   1.2711   42.311   1.7275 -4.010891 2.144776 
1 1 1   -5   19   31 o   34.739   1.2474  1258.63   77.436  1393.02   96.030  1008.77  130.938   37.682   1.3128   31.795   2.1215 5.886993 2.494813 
1 1 1   -5   19   32 o   20.386   2.0787  453.058   73.163  490.090   90.110  381.425  125.328   22.095   2.1009   18.676   3.5874 3.419607 4.157324 
1 1 1   -5   19   33 o   13.024   2.9005  187.723   78.196  170.826   95.284  222.573  136.845   12.311   3.6932   13.737   4.4734 -1.426049 5.800934 
1 1 1   -5   19   34 o   20.841   2.0942  449.063   78.460  420.559   93.639  516.232  143.746   20.121   2.3974   21.561   3.4345 -1.439495 4.188465 
1 1 1   -5   20    1 o  366.657   1.5959 130555.00  1104.05 130638.80  1405.21 130419.90  1784.67  366.826   1.9734  366.489   2.5086 0.3375244 3.191771 
1 1 1   -5   20    2 f   40.882   0.6255  1626.49   49.501  1701.75   68.586  1544.66   71.517   41.872   0.8438   39.892   0.9235 1.979637 1.250983 
1 1 1   -5   20    3 o   92.279   0.8276  8334.90  141.093  8497.60  175.436  8036.95  237.411   93.566   0.9659   90.992   1.3441 2.574051 1.655172 
1 1 1   -5   20    4 o  177.552   1.2655 30607.05  429.180 30622.01  559.237 30585.62  669.418  177.608   1.6221  177.496   1.9429 0.1119843 2.530974 
1 1 1   -5   20    5 o  130.189   1.4499 16453.69  301.875 16452.75  341.060 16457.10  648.656  130.190   1.3496  130.187   2.5667 0.2395630E-02 2.899898 
1 1 1   -5   20    6 o  172.745   1.2804 28956.21  421.359 28901.08  545.545 29037.74  663.367  172.545   1.6288  172.945   1.9760 -0.4003296 2.560745 
1 1 1   -5   20    7 o  172.560   1.1692 28901.26  391.193 28789.03  539.965 29025.24  567.523  172.209   1.6153  172.912   1.6908 -0.7034760 2.338358 
1 1 1   -5   20    8 o  150.554   1.2674 22001.98  370.316 22151.38  530.288 21859.78  517.363  151.052   1.8085  150.056   1.7761 0.9968414 2.534831 
1 1 1   -5   20    9 o   97.109   1.7158  9192.53  317.296  8970.56  496.647  9345.62  412.443   96.110   2.6620   98.108   2.1657 -1.997955 3.431695 
1 1 1   -5   20   10 o  186.165   1.4944 33659.96  517.527 33620.64  865.785 33681.82  645.554  186.070   2.3970  186.260   1.7854 -0.1899109 2.988884 
1 1 1   -5   20   11 o  207.625   1.4233 41773.36  567.657 42422.97  871.035 41293.76  748.420  209.020   2.1468  206.230   1.8695 2.789734 2.846684 
1 1 1   -5   20   12 o  249.384   1.4000 60388.56  677.718 60957.97  959.813 59822.41  957.070  250.557   1.9734  248.211   1.9864 2.345428 2.799987 
1 1 1   -5   20   13 o  258.578   1.4279 64929.70  716.678 64687.78  1008.45 65176.54  1018.70  258.092   2.0129  259.065   2.0257 -0.9722900 2.855704 
1 1 1   -5   20   14 o   33.232   0.7012  1067.75   45.070  1120.89   67.214  1024.33   60.752   33.980   1.0190   32.484   0.9634 1.496143 1.402338 
1 1 1   -5   20   15 o  168.698   1.3059 27642.95  427.632 27512.03  601.831 27776.45  607.739  168.295   1.8422  169.101   1.8514 -0.8061066 2.611799 
1 1 1   -5   20   16 o   94.217   1.0298  8614.00  188.265  8301.02  262.527  8945.37  270.129   92.457   1.4628   95.978   1.4499 -3.521736 2.059564 
1 1 1   -5   20   17 o   44.095   0.6896  1860.35   58.118  1742.31   74.887  2039.11   92.156   42.363   0.9107   45.828   1.0359 -3.464668 1.379290 
1 1 1   -5   20   18 o   56.246   1.9266  3296.72  100.394  3328.78  103.859  2840.29  391.929   58.553   0.9138   53.938   3.7432 4.614502 3.853118 
1 1 1   -5   20   19 o   93.342   0.9272  8488.53  162.230  8561.39  204.858  8365.97  265.675   93.891   1.1240   92.793   1.4749 1.097977 1.854393 
1 1 1   -5   20   20 o   65.532   0.7823  4210.52   96.756  4351.39  124.325  3994.13  154.084   66.941   0.9568   64.123   1.2379 2.817558 1.564522 
1 1 1   -5   20   21 o   83.503   0.9100  6818.74  142.183  6945.28  179.579  6606.12  232.769   84.560   1.0940   82.446   1.4544 2.113945 1.819941 
1 1 1   -5   20   22 o   87.666   0.9463  7401.95  153.311  7255.97  188.833  7684.26  262.604   86.425   1.1256   88.907   1.5216 -2.481743 1.892666 
1 1 1   -5   20   23 o   80.209   0.9107  6290.92  136.929  6404.55  173.360  6102.45  223.265   81.192   1.0999   79.225   1.4518 1.966866 1.821391 
1 1 1   -5   20   24 o   56.521   0.8516  3104.32   89.821  3102.96  112.467  3106.72  149.252   56.514   1.0252   56.528   1.3602 -0.1327896E-01 1.703256 
1 1 1   -5   20   25 o  102.049   1.0798 10072.63  205.204  9920.46  255.380 10349.88  344.722  101.004   1.3025  103.094   1.7225 -2.090088 2.159564 
1 1 1   -5   20   26 o   87.948   1.0058  7530.23  164.515  7536.42  205.202  7519.09  275.249   88.033   1.2008   87.863   1.6138 0.1697845 2.011551 
1 1 1   -5   20   27 o   61.629   0.9250  3744.12  106.045  3865.86  133.437  3535.44  174.710   63.037   1.0905   60.221   1.4945 2.816143 1.850077 
1 1 1   -5   20   28 o   27.814   1.3607  778.691   68.664  821.218   84.732  697.341  117.191   29.002   1.5050   26.626   2.2673 2.375883 2.721391 
1 1 1   -5   20   29 o   25.590   1.4515  662.686   68.048  705.784   85.068  586.104  113.397   26.844   1.6325   24.335   2.4005 2.508926 2.902999 
1 1 1   -5   20   30 o   24.926   1.4796  610.245   68.652  595.412   85.286  637.547  115.707   24.572   1.7880   25.280   2.3579 -0.7078609 2.959123 
1 1 1   -5   20   31 o   63.643   0.9650  3887.16  113.786  3689.97  139.700  4275.81  196.128   61.396   1.1722   65.891   1.5334 -4.495125 1.930093 
1 1 1   -5   20   32 o   13.064   2.7179  195.646   73.349  217.710   90.197  152.564  126.034   14.100   3.3457   12.028   4.2842 2.071853 5.435851 
1 1 1   -5   20   33 o   8.6858   2.6034   26.951   73.374   7.8523   91.679   60.986  122.385   7.7026   3.3336   9.6690   3.9998 -1.966382 5.206864 
1 1 1   -5   21    1 o  317.283   1.5233 97398.37  907.250 96428.07  1142.67 99053.30  1492.31  315.164   1.8677  319.402   2.4069 -4.238068 3.046576 
1 1 1   -5   21    2 o   79.119   0.7573  6070.29  110.228  6058.02  135.658  6094.15  189.099   79.002   0.8846   79.235   1.2294 -0.2334671 1.514602 
1 1 1   -5   21    3 f  169.105   1.2335 27778.57  397.868 27856.57  517.091 27665.38  622.912  169.400   1.5725  168.811   1.9009 0.5883942 2.467016 
1 1 1   -5   21    4 o  129.468   1.0703 16192.44  260.378 15962.81  328.117 16582.95  427.897  128.237   1.3181  130.699   1.6866 -2.462570 2.140531 
1 1 1   -5   21    5 o  339.214   1.8301 111499.30  1193.91 110064.80  1579.42 113411.90  1823.68  336.684   2.4166  341.745   2.7490 -5.061493 3.660231 
1 1 1   -5   21    6 o  201.051   1.5872 39227.48  575.902 39194.37  696.128 39299.29  1025.16  200.930   1.7848  201.172   2.6252 -0.2418823 3.174417 
1 1 1   -5   21    7 o  300.690   1.6158 87855.05  941.878 86403.67  1360.98 89189.13  1304.83  298.302   2.3503  303.079   2.2179 -4.777222 3.231554 
1 1 1   -5   21    8 o   48.617   1.2561  2320.41   60.709  2324.68   63.000  2264.79  227.155   48.939   0.6632   48.294   2.4230 0.6449471 2.512156 
1 1 1   -5   21    9 o   99.947   1.0298  9687.01  199.603  9920.02  289.959  9477.14  275.183  101.088   1.4777   98.806   1.4347 2.281830 2.059590 
1 1 1   -5   21   10 o  296.378   1.6339 85318.30  938.067 85014.62  1370.19 85586.22  1286.97  295.877   2.3856  296.880   2.2332 -1.003021 3.267772 
1 1 1   -5   21   11 o  192.585   1.5465 36125.09  555.420 35612.09  920.833 36418.47  696.354  191.494   2.4772  193.675   1.8522 -2.180466 3.093085 
1 1 1   -5   21   12 o  324.904   1.6939 102398.40  1062.50 103784.40  1592.72 101287.10  1426.23  326.871   2.5101  322.937   2.2751 3.933777 3.387778 
1 1 1   -5   21   13 o   42.472   0.6578  1744.38   54.078  1837.27   80.185  1666.87   73.242   43.505   0.9495   41.439   0.9105 2.066311 1.315503 
1 1 1   -5   21   14 o  159.931   1.2510 24838.02  388.345 25180.87  552.907 24504.20  545.572  161.020   1.7689  158.842   1.7694 2.178238 2.501958 
1 1 1   -5   21   15 o   95.584   1.0168  8871.97  188.665  8777.53  266.358  8967.05  267.271   95.074   1.4432   96.095   1.4328 -1.021240 2.033687 
1 1 1   -5   21   16 o  157.430   1.2880 24075.61  393.598 24245.30  557.021 23906.38  556.244  157.984   1.8163  156.876   1.8266 1.108841 2.575946 
1 1 1   -5   21   17 o   68.363   0.7550  4576.36   96.690  4690.69  122.525  4387.62  157.424   69.508   0.9081   67.218   1.2065 2.290474 1.510036 
1 1 1   -5   21   18 o   96.808   0.9178  9064.30  166.517  8957.50  209.168  9249.11  275.156   96.042   1.1219   97.575   1.4527 -1.533028 1.835512 
1 1 1   -5   21   19 o   69.136   0.7871  4613.80  101.696  4539.86  127.110  4745.30  169.516   68.376   0.9577   69.895   1.2494 -1.518959 1.574186 
1 1 1   -5   21   20 o  143.633   1.1622 20085.48  313.965 20177.55  398.014 19933.79  510.834  144.098   1.4229  143.169   1.8381 0.9298401 2.324486 
1 1 1   -5   21   21 o   42.600   0.7694  1766.93   62.915  1792.30   83.332  1733.28   95.944   42.959   0.9993   42.240   1.1701 0.7181740 1.538750 
1 1 1   -5   21   22 o   40.151   0.8241  1538.00   62.788  1441.43   79.685  1696.14  101.974   38.521   1.0656   41.780   1.2574 -3.258503 1.648189 
1 1 1   -5   21   23 o   48.325   0.8119  2248.80   74.542  2174.14   95.306  2366.44  119.628   47.307   1.0378   49.344   1.2489 -2.037476 1.623856 
1 1 1   -5   21   24 o   80.042   0.9514  6232.00  141.786  6238.76  177.094  6219.94  236.638   80.123   1.1386   79.961   1.5245 0.1613083 1.902818 
1 1 1   -5   21   25 f   73.861   0.9384  5365.82  129.357  5536.21  163.413  5079.86  211.697   75.471   1.1154   72.251   1.5094 3.219887 1.876821 
1 1 1   -5   21   26 o   57.975   0.8897  3243.89   96.248  3178.59  119.950  3361.95  161.279   57.179   1.0807   58.770   1.4137 -1.591228 1.779442 
1 1 1   -5   21   27 o   24.514   1.4260  564.164   66.109  487.803   82.830  698.164  109.725   22.333   1.9106   26.695   2.1174 -4.362005 2.851975 
1 1 1   -5   21   28 o   10.236   2.5553   92.332   66.317  132.778   83.806   24.578  108.468   11.449   3.4702   9.0237   3.7518 2.425570 5.110611 
1 1 1   -5   21   29 o   36.564   1.1264  1327.59   76.405  1375.13   95.957  1245.23  126.294   37.523   1.3174   35.604   1.8273 1.918724 2.252704 
1 1 1   -5   21   30 o   57.973   0.9368  3287.39  100.995  3275.13  125.854  3309.56  169.262   57.898   1.1198   58.049   1.5021 -0.1509895 1.873572 
1 1 1   -5   21   31 o   22.416   1.6467  487.251   70.377  409.578   89.968  609.724  112.972   20.205   2.2939   24.627   2.3631 -4.422646 3.293350 
1 1 1   -5   21   32 o   8.5628   2.5108   30.021   71.043   73.758   93.209 -30.6108  109.744   9.3875   3.6183   7.7382   3.4821 1.649279 5.021664 
1 1 1   -5   21   33 o   11.027   2.6025  134.338   70.734  186.848   89.969   49.349  114.462   12.842   3.5092   9.2115   3.8440 3.630621 5.204905 
1 1 1   -5   22    1 o   69.102   0.7026  4621.79   89.122  4594.90  109.325  4675.06  153.878   68.804   0.8185   69.400   1.1422 -0.5961151 1.405246 
1 1 1   -5   22    2 o  109.590   0.9373 11722.46  190.626 11882.06  237.883 11436.08  318.666  110.640   1.1076  108.540   1.5125 2.099968 1.874650 
1 1 1   -5   22    3 o   68.519   0.7092  4531.08   88.549  4482.68  107.711  4632.00  155.529   67.958   0.8165   69.079   1.1598 -1.121048 1.418415 
1 1 1   -5   22    4 o  197.812   1.4351 37993.77  550.623 38101.26  764.274 37877.77  793.972  198.104   1.9874  197.520   2.0708 0.5841522 2.870173 
1 1 1   -5   22    5 o  315.993   1.8103 96762.05  1098.28 95641.84  1445.86 98290.09  1688.65  313.846   2.3733  318.140   2.7344 -4.293884 3.620644 
1 1 1   -5   22    6 o   61.352   1.7434  4217.93  103.349  4318.11  107.680  3047.12  368.126   66.699   0.8317   56.006   3.3861 10.69266 3.486711 
1 1 1   -5   22    7 o  246.225   1.3711 58869.80  655.231 58344.45  933.385 59380.23  920.032  245.141   1.9615  247.309   1.9164 -2.168106 2.742279 
1 1 1   -5   22    8 o   50.000   0.6163  2426.89   59.767  2420.04   86.315  2433.20   82.840   49.932   0.8905   50.068   0.8523 -0.1356125 1.232681 
1 1 1   -5   22    9 o   19.999   2.8765  419.748  105.252  314.921  172.350  482.094  132.916   17.720   4.8631   22.277   3.0736 -4.556875 5.753007 
1 1 1   -5   22   10 o  111.553   1.1569 12081.19  250.507 12082.87  355.663 12079.54  352.893  111.561   1.6423  111.546   1.6298 0.1511383E-01 2.313735 
1 1 1   -5   22   11 o  353.362   1.6889 121016.50  1150.19 123321.00  1741.20 119232.40  1532.04  356.328   2.5173  350.396   2.2524 5.932404 3.377875 
1 1 1   -5   22   12 o  131.114   1.2296 16707.80  311.182 16539.33  464.220 16845.28  419.349  130.510   1.8324  131.717   1.6401 -1.207458 2.459164 
1 1 1   -5   22   13 o  124.389   1.1830 15019.55  284.245 15074.98  423.777 14974.22  383.240  124.594   1.7522  124.183   1.5898 0.4114532 2.365912 
1 1 1   -5   22   14 o   31.973   2.6359  993.087  162.917  1126.40  236.352  872.410  224.874   34.017   3.5793   29.930   3.8705 4.087231 5.271849 
1 1 1   -5   22   15 o   99.493   1.0344  9616.26  199.693  9423.17  284.502  9803.77  280.361   98.507   1.4878  100.479   1.4374 -1.971367 2.068760 
1 1 1   -5   22   16 o  137.457   1.2382 18354.73  330.382 18356.15  465.092 18353.28  469.397  137.463   1.7430  137.451   1.7592 0.1182556E-01 2.476464 
1 1 1   -5   22   17 o   31.564   3.3905  976.140  207.281  968.289  302.675  983.074  284.452   31.434   4.9603   31.693   4.6236 -0.2589149 6.781019 
1 1 1   -5   22   18 o   55.250   0.7022  2986.32   73.885  3087.76   96.532  2842.85  114.807   56.394   0.8818   54.106   1.0931 2.287651 1.404435 
1 1 1   -5   22   19 o   28.669   0.8732  797.843   48.197  794.642   64.131  801.998   73.062   28.604   1.1550   28.733   1.3099 -0.1294022 1.746378 
1 1 1   -5   22   20 o   63.913   0.7924  3958.25   95.690  3926.92  121.826  4008.71  154.609   63.589   0.9870   64.237   1.2399 -0.6478157 1.584752 
1 1 1   -5   22   21 o   40.705   0.7714  1615.99   60.458  1666.69   81.250  1553.11   90.496   41.425   1.0104   39.984   1.1659 1.440834 1.542829 
1 1 1   -5   22   22 o   26.352   1.0515  669.974   53.482  629.895   71.174  721.952   81.054   25.455   1.4404   27.249   1.5323 -1.793932 2.103031 
1 1 1   -5   22   23 o   38.102   0.8606  1416.71   63.149  1461.18   84.936  1361.74   94.429   38.777   1.1284   37.427   1.2997 1.349949 1.721176 
1 1 1   -5   22   24 o   18.483   1.6663  339.582   58.415  368.944   77.064  299.924   89.560   19.453   2.0408   17.513   2.6345 1.940048 3.332520 
1 1 1   -5   22   25 f   98.778   1.0621  9482.31  196.241  9445.80  246.310  9545.75  324.717   98.553   1.2875   99.002   1.6896 -0.4490891 2.124276 
1 1 1   -5   22   26 o   70.017   0.9144  4811.46  119.388  4923.30  150.301  4620.23  196.525   71.156   1.0881   68.879   1.4698 2.277176 1.828791 
1 1 1   -5   22   27 o   20.896   1.6028  412.246   63.671  349.035   80.730  516.272  103.565   18.863   2.2047   22.928   2.3269 -4.064524 3.205513 
1 1 1   -5   22   28 o   31.354   1.1846  994.092   68.286  1077.99   86.172  852.478  111.952   33.239   1.3355   29.470   1.9570 3.769253 2.369285 
1 1 1   -5   22   29 o   58.980   0.9158  3345.81  101.096  3208.53  125.979  3594.10  169.430   57.353   1.1316   60.608   1.4401 -3.255001 1.831500 
1 1 1   -5   22   30 o   38.195   1.0197  1428.32   74.578  1407.19   97.439  1458.20  115.879   37.890   1.3248   38.501   1.5505 -0.6109695 2.039384 
1 1 1   -5   22   31 o   24.334   1.4749  594.635   68.807  613.431   91.382  570.030  104.558   24.840   1.8951   23.827   2.2606 1.013903 2.949901 
1 1 1   -5   22   32 o   11.032   2.4973   99.086   68.522   2.7284   89.268  237.293  106.910   7.5654   3.2819   14.499   3.7650 -6.934094 4.994600 
1 1 1   -5   22   33 o   16.186   2.3968  303.329   71.774  341.024   91.028  241.385  116.692   18.092   2.5920   14.280   4.0325 3.811272 4.793679 
1 1 1   -5   23    1 o  349.000   1.5837 118193.50  1041.81 117982.70  1323.08 118537.60  1690.08  348.605   1.9552  349.395   2.4919 -0.7898254 3.167362 
1 1 1   -5   23    2 o  140.474   1.1601 19174.67  308.742 19241.50  395.974 19071.04  493.079  140.789   1.4489  140.158   1.8123 0.6308746 2.320282 
1 1 1   -5   23    3 o  120.593   1.0215 14045.58  231.635 13835.10  292.146 14401.89  380.112  119.385   1.2606  121.801   1.6077 -2.416451 2.042979 
1 1 1   -5   23    4 o  179.456   1.2874 31273.52  441.475 31313.01  575.877 31217.24  687.539  179.598   1.6518  179.315   1.9752 0.2827454 2.574885 
1 1 1   -5   23    5 o   50.531   1.4630  2330.77   62.616  2315.06   64.144  2648.79  288.589   48.838   0.6766   52.224   2.8467 -3.386204 2.926020 
1 1 1   -5   23    6 o  280.900   1.7788 76724.40  958.956 77314.00  1267.14 75934.07  1467.06  282.176   2.3133  279.625   2.7027 2.551086 3.557582 
1 1 1   -5   23    7 o  307.943   1.8356 91868.04  1084.28 90679.34  1423.45 93511.09  1673.53  305.588   2.3996  310.299   2.7784 -4.710480 3.671162 
1 1 1   -5   23    8 o   62.662   0.7435  3807.00   90.213  3872.65  132.760  3750.68  122.964   63.163   1.0828   62.161   1.0191 1.002274 1.486901 
1 1 1   -5   23    9 o  272.765   1.6125 72226.20  852.350 72628.67  1243.40 71869.39  1170.70  273.478   2.3422  272.052   2.2168 1.425812 3.224912 
1 1 1   -5   23   10 o  132.062   1.2235 16929.12  311.800 16962.73  467.304 16902.15  418.607  132.178   1.8213  131.946   1.6343 0.2321167 2.447060 
1 1 1   -5   23   11 o  166.885   1.4032 27033.45  454.157 27305.67  657.726 26785.38  627.865  167.686   2.0206  166.083   1.9475 1.602188 2.806348 
1 1 1   -5   23   12 o  143.389   1.2721 19934.45  352.290 20263.23  527.319 19669.41  473.449  144.452   1.8805  142.326   1.7137 2.126144 2.544221 
1 1 1   -5   23   13 o  161.389   1.3313 25213.68  413.773 25947.53  629.891 24656.64  548.784  163.441   1.9854  159.336   1.7743 4.105057 2.662647 
1 1 1   -5   23   14 o  101.017   1.0643  9918.39  208.377  9737.24  301.639 10083.76  288.198  100.133   1.5518  101.902   1.4569 -1.769585 2.128591 
1 1 1   -5   23   15 o  166.677   1.2994 26980.62  420.387 26524.61  589.747 27451.68  599.405  165.245   1.8385  168.108   1.8368 -2.863113 2.598866 
1 1 1   -5   23   16 o  135.550   1.2224 17851.27  321.621 18081.69  454.963 17621.09  454.718  136.425   1.7180  134.674   1.7394 1.750412 2.444759 
1 1 1   -5   23   17 o  119.678   1.1955 13913.30  277.676 13614.52  388.586 14225.06  396.933  118.365   1.6912  120.990   1.6901 -2.625046 2.390915 
1 1 1   -5   23   18 o   41.256   2.2679  1932.38   73.796  1962.40   75.781  1381.64  324.541   44.957   0.8684   37.554   4.4519 7.403263 4.535831 
1 1 1   -5   23   19 o   69.352   0.7837  4682.87  102.811  4724.09  131.705  4618.57  164.494   69.748   0.9728   68.955   1.2289 0.7934570 1.567313 
1 1 1   -5   23   20 o  114.581   1.0980 12820.12  237.007 13010.74  302.051 12514.74  382.314  115.716   1.3447  113.447   1.7361 2.268990 2.195921 
1 1 1   -5   23   21 o   43.025   0.7545  1791.18   62.779  1723.48   84.568  1874.29   93.699   42.124   1.0342   43.926   1.0989 -1.802238 1.509009 
1 1 1   -5   23   22 f   45.653   0.7805  2030.28   68.566  2068.24   91.600  1981.91  103.403   46.143   1.0226   45.164   1.1794 0.9794235 1.561054 
1 1 1   -5   23   23 f   35.314   0.8844  1211.41   60.172  1206.23   80.250  1218.05   90.943   35.230   1.1734   35.397   1.3236 -0.1660271 1.768832 
1 1 1   -5   23   24 o   53.488   0.8298  2751.48   84.468  2638.58  108.218  2927.50  135.123   52.106   1.0699   54.870   1.2686 -2.764214 1.659545 
1 1 1   -5   23   25 o   43.013   0.9001  1805.68   74.361  1845.72   98.894  1753.58  112.796   43.570   1.1693   42.455   1.3687 1.114933 1.800109 
1 1 1   -5   23   26 o   11.180   2.4878  123.086   63.646  168.808   82.540   56.031   99.958   12.828   3.2967   9.5325   3.7267 3.295476 4.975603 
1 1 1   -5   23   27 o   51.205   0.9276  2552.24   88.765  2544.71  111.312  2565.39  147.109   51.129   1.1215   51.281   1.4778 -0.1523361 1.855180 
1 1 1   -5   23   28 o   27.502   1.2574  725.160   65.914  661.992   84.180  825.264  105.969   26.004   1.6677   29.000   1.8824 -2.996016 2.514900 
1 1 1   -5   23   29 o   39.303   0.9896  1535.57   74.134  1678.97   99.081  1353.18  111.740   41.457   1.2312   37.148   1.5495 4.308796 1.979121 
1 1 1   -5   23   30 o   15.063   2.1850  229.662   62.830  155.815   82.622  330.927   96.751   12.070   3.3878   18.055   2.7605 -5.984921 4.370023 
1 1 1   -5   23   31 o   55.924   0.9393  3086.20   99.542  3132.99  128.193  3015.16  157.975   56.540   1.1680   55.309   1.4714 1.230091 1.878618 
1 1 1   -5   23   32 o   35.170   1.2277  1250.33   81.004  1308.17  103.687  1159.75  129.766   36.360   1.4690   33.979   1.9674 2.381126 2.455314 
1 1 1   -5   23   33 o   14.553   2.7111  248.434   75.634  249.579   93.876  246.316  127.686   14.878   3.3331   14.228   4.2769 0.6502266 5.422281 
1 1 1   -5   24    1 o  168.984   1.2092 27700.47  380.960 27645.12  476.255 27798.80  634.806  168.755   1.4538  169.213   1.9326 -0.4579620 2.418388 
1 1 1   -5   24    2 o  224.723   1.5229 49035.49  664.275 49415.18  936.491 48651.01  942.389  225.599   2.1385  223.846   2.1688 1.752274 3.045755 
1 1 1   -5   24    3 f  101.960   0.9085 10068.49  172.760 10009.52  215.875 10173.51  288.111  101.547   1.0951  102.372   1.4498 -0.8248596 1.816943 
1 1 1   -5   24    4 o  258.213   1.5243 64689.11  756.986 64389.38  1003.51 65084.86  1153.09  257.526   2.0074  258.901   2.2944 -1.374542 3.048585 
1 1 1   -5   24    5 o  277.545   1.7050 74402.10  882.492 73392.02  1100.56 76221.20  1476.94  274.937   2.0621  280.152   2.7158 -5.214478 3.410006 
1 1 1   -5   24    6 o  195.356   1.6041 37262.79  560.958 37594.85  675.188 36522.79  1007.93  196.785   1.7675  193.928   2.6775 2.857529 3.208275 
1 1 1   -5   24    7 o  168.679   1.3036 27687.79  419.079 27967.05  544.705 27282.71  656.035  169.728   1.6533  167.629   2.0161 2.099075 2.607285 
1 1 1   -5   24    8 o  292.524   1.5519 83045.10  880.388 82062.48  1215.79 84128.36  1276.54  290.709   2.1544  294.340   2.2342 -3.631500 3.103748 
1 1 1   -5   24    9 o   95.517   1.0287  8853.74  190.371  8908.25  278.455  8805.89  260.857   95.793   1.4975   95.242   1.4109 0.5508041 2.057464 
1 1 1   -5   24   10 o  235.725   1.5051 54096.33  681.724 52977.50  1035.16 54953.21  905.918  233.558   2.2832  237.892   1.9617 -4.334335 3.010245 
1 1 1   -5   24   11 o   52.935   0.6974  2719.95   71.644  2631.12  100.827  2810.54  101.820   52.062   0.9977   53.808   0.9748 -1.746017 1.394844 
1 1 1   -5   24   12 o   82.072   0.9490  6539.15  151.159  6359.07  212.734  6722.79  214.824   80.930   1.3541   83.213   1.3299 -2.282768 1.897990 
1 1 1   -5   24   13 o   77.909   0.9081  5896.48  137.245  5787.46  196.425  6000.47  191.843   77.204   1.3107   78.614   1.2571 -1.409142 1.816100 
1 1 1   -5   24   14 o  129.652   1.2614 16329.97  315.823 16304.38  470.989 16350.87  425.717  129.555   1.8728  129.749   1.6902 -0.1945953 2.522759 
1 1 1   -5   24   15 o  113.625   1.1732 12493.31  257.883 13077.99  384.118 12013.53  347.961  116.034   1.7054  111.216   1.6118 4.817780 2.346487 
1 1 1   -5   24   16 o  189.320   1.4041 34838.74  516.019 34685.20  730.357 34991.78  729.166  188.903   1.9917  189.737   1.9797 -0.8346558 2.808270 
1 1 1   -5   24   17 o  133.162   1.2206 17222.26  315.409 17684.87  452.793 16786.20  439.611  134.898   1.7291  131.426   1.7231 3.471573 2.441131 
1 1 1   -5   24   18 o  103.812   0.9871 10496.04  192.364 10573.43  243.359 10367.16  314.053  104.337   1.2016  103.288   1.5663 1.048264 1.974129 
1 1 1   -5   24   19 o  116.345   1.0562 13158.10  231.822 13168.11  295.025 13141.95  374.803  116.421   1.3055  116.270   1.6606 0.1510773 2.112320 
1 1 1   -5   24   20 o  115.988   1.1180 13067.52  243.870 13036.05  308.601 13119.85  397.965  115.824   1.3726  116.151   1.7650 -0.3269272 2.235919 
1 1 1   -5   24   21 o   40.672   0.7835  1619.43   61.373  1775.23   84.670  1446.95   89.089   42.751   1.0203   38.592   1.1892 4.159927 1.566911 
1 1 1   -5   24   22 o   23.433   1.1777  536.533   53.331  578.605   74.160  491.474   76.748   24.391   1.5663   22.474   1.7592 1.917336 2.355441 
1 1 1   -5   24   23 o   15.002   1.9523  223.053   54.993  164.565   74.837  291.711   81.082   12.714   3.0675   17.290   2.4159 -4.575406 3.904604 
1 1 1   -5   24   24 o   64.564   0.8554  3991.93  104.239  3807.32  131.403  4305.31  171.204   62.591   1.0815   66.536   1.3255 -3.945877 1.710758 
1 1 1   -5   24   25 o   42.137   0.9074  1735.39   73.419  1789.26   97.819  1665.91  111.104   42.897   1.1747   41.377   1.3833 1.519600 1.814765 
1 1 1   -5   24   26 f   37.125   0.9947  1334.42   70.989  1285.95   93.357  1400.87  109.308   36.339   1.3234   37.912   1.4853 -1.572731 1.989370 
1 1 1   -5   24   27 o   47.461   0.9151  2199.95   82.846  2220.38  107.875  2170.58  129.353   47.749   1.1638   47.173   1.4126 0.5758896 1.830277 
1 1 1   -5   24   28 o   60.716   0.9035  3632.26  103.883  3770.44  134.449  3427.57  163.639   62.201   1.1135   59.230   1.4232 2.971210 1.807071 
1 1 1   -5   24   29 o   58.906   0.8856  3357.80   99.101  3231.09  126.606  3558.24  159.239   57.525   1.1338   60.287   1.3607 -2.762642 1.771150 
1 1 1   -5   24   30 o   31.713   1.1297  976.267   68.639  902.441   88.900  1085.24  108.007   30.277   1.5126   33.149   1.6785 -2.871334 2.259470 
1 1 1   -5   24   31 o   10.534   2.6356  110.787   67.678  125.865   90.437   91.595  102.032   10.955   3.6399   10.113   3.8128 0.8413486 5.271270 
1 1 1   -5   24   32 o   19.191   1.9448  365.887   70.822  291.465   90.070  486.426  114.629   16.737   2.7723   21.644   2.7282 -4.907717 3.889624 
1 1 1   -5   24   33 f   10.967   2.7542  133.384   73.250  134.700   97.016  131.640  111.715   10.961   3.7696   10.973   4.0166 -0.1197529E-01 5.508431 
1 1 1   -5   25    1 o  476.249   1.9331 219867.50  1736.83 218571.80  2206.58 221977.30  2815.82  474.440   2.3959  478.057   3.0343 -3.616608 3.866203 
1 1 1   -5   25    2 o  130.523   1.0804 16525.66  265.409 16486.80  336.223 16589.92  432.336  130.323   1.3290  130.724   1.7037 -0.4010773 2.160805 
1 1 1   -5   25    3 o   59.527   0.6772  3437.08   72.349  3433.11   87.041  3445.97  130.130   59.473   0.7540   59.582   1.1251 -0.1096001 1.354371 
1 1 1   -5   25    4 o   93.501   0.8830  8462.26  153.037  8405.89  189.736  8567.22  258.890   93.058   1.0503   93.944   1.4197 -0.8853683 1.765967 
1 1 1   -5   25    5 o   35.876   2.4070  1271.23  164.756  1415.20  222.305  1095.79  245.405   38.171   3.0002   33.581   3.7646 4.589653 4.813903 
1 1 1   -5   25    6 o  268.020   1.7053 69658.68  853.492 69396.55  1068.78 70120.09  1417.98  267.344   2.0595  268.697   2.7186 -1.352936 3.410582 
1 1 1   -5   25    7 o  243.950   1.5228 57702.19  712.964 57231.59  938.342 58344.95  1096.63  242.783   1.9910  245.117   2.3047 -2.334244 3.045657 
1 1 1   -5   25    8 o  229.575   1.3609 51170.98  606.454 51404.32  860.580 50940.78  854.761  230.095   1.9267  229.055   1.9224 1.039627 2.721726 
1 1 1   -5   25    9 o   75.083   0.8687  5466.78  126.419  5573.00  184.670  5373.10  173.426   75.769   1.2556   74.398   1.2009 1.370728 1.737385 
1 1 1   -5   25   10 o  286.462   1.5872 79568.78  872.027 80536.23  1345.08 78867.34  1145.33  287.947   2.4064  284.976   2.0704 2.970978 3.174495 
1 1 1   -5   25   11 o  236.010   1.5059 54020.07  682.437 54634.29  1047.72 53567.45  899.394  237.162   2.2758  234.858   1.9728 2.304047 3.011845 
1 1 1   -5   25   12 o  122.364   1.2032 14543.32  284.998 14508.67  418.745 14573.22  388.993  122.225   1.7649  122.502   1.6358 -0.2769775 2.406410 
1 1 1   -5   25   13 o  150.994   1.3860 22118.82  405.553 22633.58  593.976 21669.27  555.076  152.634   2.0047  149.353   1.9146 3.280609 2.772092 
1 1 1   -5   25   14 o  117.068   1.2001 13312.51  272.358 13280.25  395.285 13341.67  375.799  116.930   1.7415  117.205   1.6517 -0.2743301 2.400213 
1 1 1   -5   25   15 o   97.673   1.0939  9272.12  207.264  9070.60  296.716  9464.14  289.644   96.635   1.5818   98.712   1.5116 -2.077309 2.187885 
1 1 1   -5   25   16 o   41.544   3.4762  1745.71  263.981  1517.42  439.798  1874.28  330.048   39.277   5.7684   43.811   3.8809 -4.534271 6.952362 
1 1 1   -5   25   17 o   48.867   2.7230  2336.44  256.586  2691.31  367.932  2000.46  358.005   52.504   3.6100   45.230   4.0775 7.274002 5.445954 
1 1 1   -5   25   18 o   69.355   0.7937  4614.70  102.998  4466.38  128.499  4881.25  172.259   67.820   0.9761   70.889   1.2518 -3.069176 1.587359 
1 1 1   -5   25   19 o  156.726   1.3659 24000.57  411.763 24760.68  551.581 23043.76  618.847  159.568   1.7807  153.884   2.0717 5.683884 2.731829 
1 1 1   -5   25   20 o  123.077   1.1662 14746.10  269.862 14800.43  341.868 14656.29  439.580  123.405   1.4271  122.749   1.8448 0.6565247 2.332390 
1 1 1   -5   25   21 o   66.548   0.8069  4262.49  101.568  4131.91  128.879  4476.53  165.000   65.222   1.0179   67.874   1.2523 -2.652245 1.613853 
1 1 1   -5   25   22 o   11.693   2.2090  137.156   51.531  110.224   71.005  167.128   74.904   10.571   3.1920   12.815   3.0544 -2.243567 4.417906 
1 1 1   -5   25   23 f  122.283   1.2273 14604.70  277.807 14717.00  345.175 14398.18  468.079  123.009   1.4456  121.557   1.9837 1.452110 2.454527 
1 1 1   -5   25   24 o   31.114   1.0444  939.502   62.668  799.044   86.252  1096.56   91.206   28.653   1.5507   33.575   1.3994 -4.921661 2.088788 
1 1 1   -5   25   25 o   42.271   0.9025  1741.19   73.180  1757.96   96.613  1718.63  112.088   42.517   1.1706   42.024   1.3740 0.4936600 1.805071 
1 1 1   -5   25   26 o   17.132   1.8591  295.500   59.691  317.347   80.768  269.207   88.608   17.984   2.3136   16.279   2.9108 1.704002 3.718283 
1 1 1   -5   25   27 o   44.241   0.9098  1911.09   76.913  1925.16  100.505  1891.20  119.482   44.456   1.1647   44.026   1.3981 0.4291534 1.819609 
1 1 1   -5   25   28 o   42.633   0.9459  1748.17   77.204  1623.82   99.829  1933.21  121.780   40.791   1.2608   44.476   1.4105 -3.685886 1.891852 
1 1 1   -5   25   29 o   34.591   1.0354  1171.73   69.441  1132.74   95.357  1215.76  101.321   33.984   1.4455   35.198   1.4829 -1.213673 2.070850 
1 1 1   -5   25   30 o   28.901   1.2566  820.459   70.230  747.200   94.645  910.221  104.764   27.477   1.7744   30.325   1.7797 -2.847952 2.513134 
1 1 1   -5   25   31 o   11.232   2.6169  133.938   67.598  166.201   92.590   97.114   98.920   12.289   3.6300   10.176   3.7703 2.112947 5.233736 
1 1 1   -5   25   32 o   7.4532   2.3331 -20.0730   69.276   29.186   91.068 -87.7280  106.727   8.1466   3.4164   6.7598   3.1783 1.386790 4.666160 
1 1 1   -5   25   33 o   14.297   2.7631  247.975   80.884  187.557  119.576  298.936  109.821   12.515   4.1863   16.078   3.6074 -3.562553 5.526156 
1 1 1   -5   26    1 o  189.135   1.4291 34712.14  524.487 34099.45  729.265 35368.61  754.870  187.407   2.0046  190.862   2.0375 -3.454681 2.858278 
1 1 1   -5   26    2 o  161.838   1.2633 25322.71  387.960 24941.03  496.818 25919.18  621.066  160.286   1.5968  163.390   1.9582 -3.104431 2.526652 
1 1 1   -5   26    3 o  167.508   1.2457 27146.54  395.869 26805.23  507.069 27679.26  633.487  166.168   1.5720  168.847   1.9328 -2.678680 2.491341 
1 1 1   -5   26    4 o   62.421   0.6882  3763.80   78.781  3727.05   96.449  3837.48  136.558   61.966   0.8018   62.876   1.1188 -0.9096870 1.376493 
1 1 1   -5   26    5 o  211.825   1.6524 43275.05  628.831 42797.57  755.339 44353.30  1135.07  209.954   1.8533  213.696   2.7363 -3.742050 3.304863 
1 1 1   -5   26    6 o   84.532   1.6400  7473.82  168.333  7638.19  179.485  6273.12  485.116   88.706   1.0423   80.357   3.1100 8.349602 3.280010 
1 1 1   -5   26    7 o   62.005   0.6755  3729.57   78.571  3723.09   99.058  3740.56  129.019   61.933   0.8240   62.077   1.0707 -0.1437798 1.351023 
1 1 1   -5   26    8 o  140.293   1.1904 19144.20  316.448 19273.13  406.354 18945.52  504.432  140.899   1.4857  139.687   1.8603 1.211823 2.380754 
1 1 1   -5   26    9 o  253.440   1.4348 62378.77  705.799 62138.86  1004.30 62612.89  992.108  252.957   2.0453  253.923   2.0128 -0.9651642 2.869564 
1 1 1   -5   26   10 o   91.913   0.9670  8203.71  172.314  8160.85  249.745  8242.64  238.054   91.683   1.4033   92.143   1.3309 -0.4595566 1.934037 
1 1 1   -5   26   11 o  107.163   1.1139 11123.87  231.034 11491.81  342.205 10815.69  313.183  108.786   1.6205  105.540   1.5287 3.245972 2.227742 
1 1 1   -5   26   12 o   81.647   0.9336  6471.03  147.856  6518.04  213.576  6427.76  204.893   81.932   1.3429   81.363   1.2973 0.5682602 1.867151 
1 1 1   -5   26   13 o   62.455   0.7931  3783.28   96.033  3859.15  139.914  3715.69  132.048   63.046   1.1432   61.864   1.0996 1.182194 1.586210 
1 1 1   -5   26   14 o  140.220   1.2984 19114.79  352.324 18908.40  517.461 19293.17  481.052  139.508   1.9108  140.931   1.7584 -1.422699 2.596750 
1 1 1   -5   26   15 o   73.641   0.8931  5267.88  127.381  5244.33  186.326  5288.54  174.538   73.485   1.3062   73.797   1.2184 -0.3119888 1.786246 
1 1 1   -5   26   16 o  112.329   1.1811 12263.65  256.678 12230.01  378.457 12292.31  349.289  112.180   1.7379  112.477   1.5998 -0.2963638 2.362133 
1 1 1   -5   26   17 o   55.304   0.7800  2974.54   83.598  2881.02  120.611  3061.02  115.975   54.465   1.1408   56.143   1.0642 -1.677979 1.560067 
1 1 1   -5   26   18 o  105.228   1.1661 10762.84  238.165 10764.98  339.132 10760.76  334.548  105.238   1.6601  105.219   1.6379 0.1857758E-01 2.332121 
1 1 1   -5   26   19 o  112.416   1.0702 12180.78  225.072 11910.54  281.321 12661.39  375.167  110.718   1.3089  114.115   1.6936 -3.396133 2.140488 
1 1 1   -5   26   20 o   66.938   0.7992  4286.22  100.771  4092.38  126.623  4621.05  166.419   64.912   1.0049   68.965   1.2431 -4.053017 1.598493 
1 1 1   -5   26   21 o   43.021   0.7700  1809.16   63.814  1912.10   86.689  1687.40   94.282   44.368   1.0065   41.674   1.1655 2.693989 1.539941 
1 1 1   -5   26   22 o   34.319   0.8991  1129.69   59.393  1033.59   78.048  1261.90   91.547   32.610   1.2330   36.029   1.3090 -3.418797 1.798223 
1 1 1   -5   26   23 o   54.252   0.8167  2833.15   84.770  2706.33  109.833  3019.98  133.314   52.771   1.0722   55.734   1.2322 -2.962669 1.633406 
1 1 1   -5   26   24 o   9.7860   2.3565   82.657   54.954   49.076   75.920  119.616   79.648   8.5478   3.2728   11.024   3.3912 -2.476394 4.712937 
1 1 1   -5   26   25 o   39.419   0.9086  1518.97   69.184  1611.77   95.265  1415.41  100.638   40.704   1.2057   38.133   1.3596 2.571632 1.817142 
1 1 1   -5   26   26 o   47.214   0.8689  2180.47   78.311  2227.50  102.494  2114.52  121.382   47.843   1.1036   46.585   1.3423 1.258366 1.737730 
1 1 1   -5   26   27 o   56.670   0.8880  3103.25   94.981  3015.48  120.177  3249.33  155.029   55.639   1.1127   57.700   1.3841 -2.060608 1.775914 
1 1 1   -5   26   28 o   13.630   2.2586  194.462   59.473  144.465   83.247  246.581   84.995   11.805   3.4293   15.456   2.9404 -3.651180 4.517264 
1 1 1   -5   26   29 o   14.775   2.2075  231.283   61.292  248.918   84.953  212.138   88.518   15.432   2.9434   14.117   3.2908 1.314419 4.415054 
1 1 1   -5   26   30 o   37.165   1.0677  1358.89   76.263  1350.60  100.869  1369.95  116.520   37.070   1.4018   37.260   1.6110 -0.1900749 2.135480 
1 1 1   -5   26   31 o   10.670   2.6717  111.082   68.004   90.089   86.978  144.096  109.074   9.7242   3.5465   11.616   3.9968 -1.891479 5.343419 
1 1 1   -5   26   32 o   16.471   2.4381  311.900   74.598  350.022   95.254  251.435  119.963   18.325   2.6778   14.616   4.0750 3.708644 4.876122 
1 1 1   -5   27    1 o  147.432   1.2991 21097.04  371.650 20884.50  517.730 21323.00  533.825  146.667   1.8185  148.197   1.8556 -1.530823 2.598122 
1 1 1   -5   27    2 o  229.504   1.4819 51007.18  650.806 50353.14  849.025 51938.98  1013.39  227.732   1.9206  231.275   2.2573 -3.543716 2.963761 
1 1 1   -5   27    3 o  264.077   1.5631 67565.38  793.048 66685.66  1045.84 68755.58  1216.48  262.068   2.0558  266.087   2.3551 -4.019836 3.126192 
1 1 1   -5   27    4 o   49.161   1.6158  2180.83   63.988  2165.30   65.373  2535.97  312.594   47.231   0.7130   51.091   3.1519 -3.860020 3.231503 
1 1 1   -5   27    5 o  209.511   1.6727 42658.25  628.299 42709.68  755.692 42543.10  1130.77  209.737   1.8561  209.285   2.7834 0.4521484 3.345488 
1 1 1   -5   27    6 o  106.918   1.6017 11513.33  242.188 11712.89  265.059 10504.37  595.990  109.846   1.2431  103.990   2.9524 5.855789 3.203459 
1 1 1   -5   27    7 o  201.915   1.4167 39550.01  546.725 39376.18  712.526 39798.88  852.550  201.383   1.8227  202.446   2.1694 -1.063187 2.833480 
1 1 1   -5   27    8 f   76.743   0.7962  5732.33  114.343  5774.66  143.992  5660.08  188.125   77.129   0.9617   76.357   1.2692 0.7723999 1.592422 
1 1 1   -5   27    9 o   88.208   0.8725  7613.44  146.325  7873.16  190.557  7240.23  228.421   90.058   1.0900   86.358   1.3626 3.699730 1.744947 
1 1 1   -5   27   10 o  247.087   1.5405 59263.92  732.169 59596.84  1114.42 59011.07  971.183  247.685   2.3178  246.490   2.0297 1.194458 3.080937 
1 1 1   -5   27   11 o  126.086   1.2269 15446.02  299.523 15353.95  438.867 15526.31  409.805  125.731   1.7982  126.440   1.6697 -0.7098160 2.453791 
1 1 1   -5   27   12 f   91.723   1.0027  8168.29  178.314  8197.50  258.737  8141.87  246.086   91.878   1.4507   91.568   1.3845 0.3102036 2.005307 
1 1 1   -5   27   13 o  178.130   1.4284 30821.54  491.482 30885.12  732.753 30769.55  662.643  178.288   2.1172  177.971   1.9181 0.3166351 2.856868 
1 1 1   -5   27   14 o   98.965   1.0590  9507.97  203.074  9587.42  296.709  9437.96  278.532   99.352   1.5385   98.578   1.4556 0.7736664 2.117911 
1 1 1   -5   27   15 o   94.980   1.0499  8755.63  193.322  8909.69  281.786  8618.64  265.717   95.767   1.5158   94.193   1.4532 1.573708 2.099883 
1 1 1   -5   27   16 o   54.110   0.7731  2844.69   81.128  2808.27  116.897  2878.52  112.684   53.775   1.1198   54.445   1.0662 -0.6698799 1.546226 
1 1 1   -5   27   17 o   54.451   0.7867  2881.05   83.068  2839.58  119.726  2919.54  115.348   54.072   1.1406   54.830   1.0838 -0.7577820 1.573403 
1 1 1   -5   27   18 o   57.671   0.8185  3213.07   91.079  3383.69  137.926  3081.15  121.284   59.019   1.2039   56.322   1.1093 2.696648 1.637057 
1 1 1   -5   27   19 o   27.999   0.8735  761.558   47.438  721.335   66.608  802.959   67.577   27.248   1.2593   28.749   1.2109 -1.501425 1.747013 
1 1 1   -5   27   20 o   32.167   0.8284  1009.03   51.462  1049.25   70.179  962.252   75.688   32.865   1.1000   31.470   1.2390 1.395542 1.656862 
1 1 1   -5   27   21 o   46.594   0.7510  2118.71   67.322  2189.28   90.303  2030.41  101.010   47.475   0.9799   45.714   1.1383 1.761208 1.501959 
1 1 1   -5   27   22 o   21.973   1.8454  493.816   68.182  426.219  130.848  519.011   79.884   20.855   3.2321   23.091   1.7822 -2.235205 3.690890 
1 1 1   -5   27   23 o  105.250   1.1107 10859.39  223.026 11238.78  292.618 10333.51  344.511  107.489   1.4024  103.011   1.7229 4.477646 2.221489 
1 1 1   -5   27   24 o   26.200   1.1644  671.984   58.913  722.200   81.465  616.932   85.298   27.237   1.5408   25.163   1.7463 2.073978 2.328879 
1 1 1   -5   27   25 o   49.735   0.8603  2402.10   82.245  2372.15  108.657  2442.28  125.851   49.382   1.1335   50.089   1.2943 -0.7075844 1.720521 
1 1 1   -5   27   26 o   35.614   1.0227  1236.71   70.065  1234.42   93.006  1239.72  106.541   35.588   1.3463   35.641   1.5399 -0.5316162E-01 2.045474 
1 1 1   -5   27   27 o   53.567   0.8719  2810.67   89.493  2881.88  118.353  2715.60  136.758   54.385   1.1211   52.750   1.3356 1.635105 1.743730 
1 1 1   -5   27   28 f   23.251   1.4271  532.191   64.306  492.147   88.615  576.737   93.463   22.325   2.0448   24.178   1.9914 -1.853195 2.854273 
1 1 1   -5   27   29 o   11.320   2.4999  134.189   61.005  141.500   86.074  126.809   86.475   11.573   3.5188   11.066   3.5518 0.5072565 4.999726 
1 1 1   -5   27   30 o   16.490   2.1232  289.354   65.209  207.739   92.089  371.432   92.350   13.820   3.4449   19.160   2.4830 -5.340143 4.246469 
1 1 1   -5   27   31 o   6.8014   2.1810 -68.2151   66.682   20.310   93.396 -160.2619   95.235   8.0786   3.4275   5.5243   2.6981 2.554340 4.362035 
1 1 1   -5   27   32 o   27.843   1.4241  779.433   76.191  743.018   99.939  829.971  117.735   27.140   1.8970   28.547   2.1247 -1.406998 2.848295 
1 1 1   -5   28    1 o  212.655   1.5102 43906.80  623.305 43656.80  872.958 44166.81  890.270  212.038   2.1209  213.272   2.1504 -1.233658 3.020326 
1 1 1   -5   28    2 o   63.924   0.7217  3991.24   84.134  4039.91  103.003  3893.68  145.837   64.514   0.8225   63.333   1.1862 1.180542 1.443481 
1 1 1   -5   28    3 o  336.283   1.7138 109777.10  1112.25 109415.90  1493.34 110227.10  1666.83  335.672   2.2918  336.895   2.5488 -1.222351 3.427640 
1 1 1   -5   28    4 o  346.849   1.8528 116570.90  1217.07 115626.90  1555.58 118060.70  1954.21  345.067   2.3223  348.632   2.8876 -3.565186 3.705608 
1 1 1   -5   28    5 o  176.802   1.6156 30226.16  487.241 30086.51  566.296 30624.23  956.085  176.040   1.6572  177.564   2.7738 -1.523956 3.231137 
1 1 1   -5   28    6 o  135.827   1.6185 18284.09  349.340 18566.24  395.333 17278.72  746.243  138.290   1.4727  133.363   2.8826 4.926849 3.236959 
1 1 1   -5   28    7 o  115.302   1.0654 12878.03  232.493 12777.63  296.817 13037.42  373.987  114.725   1.3328  115.878   1.6626 -1.153091 2.130876 
1 1 1   -5   28    8 o  144.591   1.2005 20228.18  328.669 19980.95  419.498 20621.18  528.905  143.457   1.5064  145.725   1.8697 -2.267929 2.401069 
1 1 1   -5   28    9 o  162.257   1.2406 25560.36  390.690 25260.19  546.920 25873.15  558.294  161.285   1.7469  163.230   1.7620 -1.944443 2.481160 
1 1 1   -5   28   10 o  188.358   1.4632 34441.50  530.091 34638.04  807.293 34292.54  702.838  188.819   2.2025  187.897   1.9270 0.9224548 2.926471 
1 1 1   -5   28   11 o  154.922   1.3471 23298.63  403.400 23488.54  599.840 23141.83  545.071  155.492   1.9873  154.352   1.8192 1.140198 2.694212 
1 1 1   -5   28   12 o   65.651   0.8142  4183.00  103.637  4216.23  150.678  4153.17  142.770   65.898   1.1779   65.405   1.1245 0.4936981 1.628495 
1 1 1   -5   28   13 o   87.835   0.9605  7484.68  163.437  7599.58  239.657  7384.78  223.462   88.463   1.3956   87.206   1.3200 1.256737 1.921000 
1 1 1   -5   28   14 o  100.547   1.0918  9812.63  212.581  9932.91  312.618  9709.18  289.930  101.117   1.5927   99.977   1.4939 1.139801 2.183667 
1 1 1   -5   28   15 o   81.683   0.9685  6476.95  153.358  6555.27  223.400  6407.15  210.900   82.148   1.4009   81.218   1.3377 0.9304504 1.937036 
1 1 1   -5   28   16 o   99.141   1.0996  9517.27  210.667  9890.24  315.578  9217.44  282.943  100.883   1.6115   97.399   1.4965 3.483543 2.199174 
1 1 1   -5   28   17 o   68.861   0.8857  4606.42  118.359  4458.69  166.946  4755.71  167.828   67.750   1.2694   69.971   1.2356 -2.221756 1.771475 
1 1 1   -5   28   18 o   35.243   0.8293  1210.16   56.241  1178.06   84.729  1235.44   75.195   34.822   1.2535   35.665   1.0861 -0.8422623 1.658561 
1 1 1   -5   28   19 o   65.365   0.7918  4150.45   98.242  4150.93  126.346  4149.72  156.237   65.375   0.9956   65.355   1.2315 0.2079010E-01 1.583620 
1 1 1   -5   28   20 o   43.429   0.7378  1831.16   62.070  1818.17   84.917  1846.07   90.955   43.265   1.0111   43.593   1.0748 -0.3285942 1.475661 
1 1 1   -5   28   21 o   43.357   0.7632  1820.60   63.862  1774.56   85.375  1879.08   96.225   42.739   1.0291   43.975   1.1272 -1.236462 1.526316 
1 1 1   -5   28   22 o   92.568   0.9840  8293.99  171.351  8178.97  216.312  8487.74  280.751   91.731   1.2148   93.404   1.5484 -1.673187 1.968072 
1 1 1   -5   28   23 o   30.921   1.0534  923.861   62.795  783.081   85.325  1090.21   92.751   28.366   1.5496   33.477   1.4273 -5.110455 2.106721 
1 1 1   -5   28   24 o   74.808   0.9251  5426.17  130.354  5370.35  165.042  5518.75  212.534   74.318   1.1440   75.297   1.4541 -0.9785995 1.850160 
1 1 1   -5   28   25 o   8.1251   2.3348   27.431   57.698   34.584   79.565   19.498   83.795   8.2350   3.2915   8.0153   3.3122 0.2196732 4.669522 
1 1 1   -5   28   26 o   25.402   1.2568  631.036   61.954  611.274   86.764  651.592   88.492   24.995   1.7882   25.809   1.7663 -0.8136482 2.513502 
1 1 1   -5   28   27 o   14.273   2.2382  211.242   60.446  236.165   87.172  188.161   83.889   15.112   3.0762   13.434   3.2518 1.677422 4.476302 
1 1 1   -5   28   28 f   33.176   1.0200  1082.66   65.431  1158.26   90.965  1001.61   94.187   34.398   1.3623   31.954   1.5185 2.443592 2.040001 
1 1 1   -5   28   29 o   19.100   1.7159  368.553   63.314  390.824   87.301  343.841   91.959   19.752   2.2769   18.449   2.5678 1.303089 3.431882 
1 1 1   -5   28   30 o   18.699   1.8595  354.717   67.257  334.240   90.589  379.870  100.397   18.119   2.5755   19.278   2.6828 -1.159096 3.718945 
1 1 1   -5   28   31 o   18.092   1.9952  340.801   70.067  336.016   98.486  345.704   99.704   17.962   2.8245   18.222   2.8187 -0.2596607 3.990402 
1 1 1   -5   28   32 o   27.110   1.6969  764.629   88.258  734.548  133.555  787.950  117.594   26.489   2.5974   27.732   2.1844 -1.243319 3.393821 
1 1 1   -5   29    1 o  174.614   1.4244 29596.15  482.607 29328.95  671.360 29881.86  694.233  173.800   1.9899  175.429   2.0386 -1.628998 2.848841 
1 1 1   -5   29    2 o  105.542   0.9921 10808.27  195.412 10794.24  244.650 10832.99  324.779  105.451   1.1952  105.634   1.5839 -0.1836700 1.984203 
1 1 1   -5   29    3 o  141.240   1.1806 19303.22  314.696 19097.58  399.580 19639.11  510.680  140.257   1.4676  142.223   1.8498 -1.965759 2.361248 
1 1 1   -5   29    4 o  148.765   1.6084 21439.27  385.248 21397.70  436.202 21586.63  821.390  148.461   1.5136  149.068   2.8386 -0.6075592 3.216893 
1 1 1   -5   29    5 o  278.341   1.7679 75406.62  919.580 75828.69  1155.38 74677.13  1518.93  279.435   2.1300  277.247   2.8223 2.187378 3.535871 
1 1 1   -5   29    6 o   98.235   1.5616  9189.01  195.100  9130.93  207.928  9616.67  564.183   96.985   1.1044   99.484   2.9215 -2.498756 3.123269 
1 1 1   -5   29    7 o   18.097   0.7588  314.561   26.278  299.141   34.044  337.293   41.335   17.555   0.9990   18.640   1.1424 -1.085474 1.517587 
1 1 1   -5   29    8 o  234.529   1.5337 53507.05  690.247 53972.68  912.043 52882.80  1056.02  235.739   1.9930  233.320   2.3316 2.419479 3.067349 
1 1 1   -5   29    9 o   80.801   0.8113  6292.33  122.522  6171.94  153.047  6507.20  204.453   79.735   0.9888   81.867   1.2865 -2.131561 1.622612 
1 1 1   -5   29   10 o   77.428   0.9053  5823.63  135.754  5780.93  198.412  5861.21  186.145   77.160   1.3247   77.696   1.2342 -0.5360107 1.810535 
1 1 1   -5   29   11 o   43.088   2.5648  1789.35  211.419  1911.59  332.665  1706.53  273.833   44.300   3.8684   41.875   3.3687 2.425514 5.129640 
1 1 1   -5   29   12 o  172.357   1.4001 28839.84  465.248 29046.00  701.105 28677.63  621.911  172.898   2.0890  171.817   1.8647 1.080841 2.800117 
1 1 1   -5   29   13 f   59.969   0.7968  3492.75   92.714  3458.04  132.605  3525.94  129.678   59.677   1.1447   60.261   1.1086 -0.5837936 1.593506 
1 1 1   -5   29   14 o  105.199   1.1297 10753.31  230.300 10737.26  335.439 10767.62  316.752  105.122   1.6438  105.277   1.5500 -0.1548462 2.259323 
1 1 1   -5   29   15 o  120.954   1.2051 14193.66  281.884 14486.58  418.935 13951.33  381.043  122.086   1.7677  119.821   1.6382 2.265030 2.410112 
1 1 1   -5   29   16 o   23.275   0.9933  521.231   44.641  577.252   67.502  477.686   59.513   24.375   1.4266   22.174   1.3826 2.200914 1.986644 
1 1 1   -5   29   17 o   41.812   0.7780  1702.51   62.950  1628.26   91.488  1769.27   86.749   40.943   1.1511   42.682   1.0470 -1.738903 1.556067 
1 1 1   -5   29   18 o  101.517   1.1619  9990.40  228.198 10357.86  339.208  9686.62  308.425  103.212   1.6931   99.822   1.5917 3.390022 2.323766 
1 1 1   -5   29   19 o   37.095   0.8480  1348.32   60.368  1247.91   90.450  1428.98   81.065   35.836   1.3002   38.355   1.0888 -2.518475 1.695911 
1 1 1   -5   29   20 o   83.147   0.9090  6698.00  143.049  6626.62  182.544  6811.58  230.276   82.587   1.1387   83.708   1.4171 -1.121544 1.817920 
1 1 1   -5   29   21 o   38.987   2.8409  1234.51   80.012  1216.45   81.254  1811.94  459.493   35.379   1.1831   42.595   5.5572 -7.216213 5.681712 
1 1 1   -5   29   22 o   35.733   0.8841  1241.61   61.311  1208.67   86.644  1274.65   86.771   35.257   1.2660   36.208   1.2345 -0.9511566 1.768256 
1 1 1   -5   29   23 o   61.659   0.8446  3730.73   99.431  3911.33  131.227  3487.28  152.361   63.438   1.0656   59.880   1.3108 3.558392 1.689297 
1 1 1   -5   29   24 o   21.729   1.4404  456.779   60.452  404.084   81.307  521.917   90.398   20.339   2.0594   23.118   2.0143 -2.779230 2.880720 
1 1 1   -5   29   25 o   55.288   0.8487  3003.35   90.047  3205.56  121.245  2754.61  134.471   57.397   1.0882   53.179   1.3027 4.218838 1.697371 
1 1 1   -5   29   26 o   12.337   2.3650  157.332   58.195  171.467   82.273  143.179   82.328   12.859   3.2843   11.816   3.4039 1.043257 4.730016 
1 1 1   -5   29   27 o   41.694   0.9269  1709.10   74.426  1820.86  101.342  1578.24  109.659   43.203   1.2084   40.185   1.4058 3.017315 1.853754 
1 1 1   -5   29   28 o   30.115   1.0829  888.422   63.196  854.546   86.331  927.533   92.761   29.504   1.5074   30.727   1.5552 -1.222952 2.165821 
1 1 1   -5   29   29 o   23.722   1.4559  552.736   66.562  481.021   88.477  646.249  101.033   21.969   2.0747   25.474   2.0431 -3.505169 2.911822 
1 1 1   -5   29   30 o   26.227   1.3471  685.016   68.371  666.576   92.602  707.115  101.375   25.863   1.8445   26.591   1.9639 -0.7285748 2.694273 
1 1 1   -5   29   31 o   7.4886   2.4911 -81.6687   83.040 -80.6442  155.590 -82.0767   98.194   8.4769   3.9365   6.5003   3.0538 1.976576 4.982166 
1 1 1   -5   29   32 o   12.642   2.9306  191.833   83.756  164.650  122.357  215.800  114.894   11.898   4.2231   13.386   4.0645 -1.487820 5.861241 
1 1 1   -5   30    1 o   76.489   0.9464  5676.23  140.424  5594.76  194.396  5765.13  203.068   75.915   1.3191   77.062   1.3575 -1.146759 1.892864 
1 1 1   -5   30    2 o  127.334   1.1181 15640.18  265.965 15375.70  332.190 16112.46  443.907  125.850   1.3598  128.819   1.7752 -2.969826 2.236139 
1 1 1   -5   30    3 o  154.985   1.2499 23176.08  371.328 22439.30  484.604 24223.86  577.903  152.025   1.6421  157.946   1.8849 -5.921066 2.499866 
1 1 1   -5   30    4 o  127.290   1.6286 15759.25  303.679 15770.87  333.791 15703.41  731.620  127.456   1.3491  127.125   2.9648 0.3304138 3.257284 
1 1 1   -5   30    5 o   78.615   2.1582  5961.20  328.121  5398.73  442.868  6645.71  488.556   74.534   3.0609   82.696   3.0434 -8.161674 4.316464 
1 1 1   -5   30    6 o  236.156   1.7095 53379.64  728.739 52068.63  876.101 56323.61  1312.86  231.554   1.9491  240.759   2.8091 -9.204788 3.419091 
1 1 1   -5   30    7 o  105.959   0.9965 10907.61  197.333 10926.53  247.714 10874.75  326.450  106.089   1.2029  105.828   1.5891 0.2610321 1.993006 
1 1 1   -5   30    8 o   44.534   0.5779  1907.69   48.883  1844.21   62.463  2008.00   78.523   43.588   0.7382   45.481   0.8894 -1.893280 1.155863 
1 1 1   -5   30    9 o   63.363   0.6836  3886.34   81.041  3855.81  101.646  3939.61  134.264   63.024   0.8308   63.702   1.0858 -0.6776199 1.367195 
1 1 1   -5   30   10 o  210.426   1.3812 43028.42  564.017 43690.00  791.898 42347.29  803.509  212.071   1.9236  208.781   1.9826 3.289948 2.762440 
1 1 1   -5   30   11 f   88.672   1.0128  7641.81  173.709  7554.55  255.964  7716.30  236.510   88.200   1.4950   89.143   1.3668 -0.9431915 2.025614 
1 1 1   -5   30   12 o  146.924   1.3262 20942.47  375.738 21235.85  566.529 20712.07  502.043  147.833   1.9742  146.014   1.7713 1.818375 2.652302 
1 1 1   -5   30   13 o   61.608   0.7973  3687.04   95.289  3638.52  136.594  3733.04  132.996   61.212   1.1496   62.003   1.1050 -0.7912064 1.594514 
1 1 1   -5   30   14 o  131.527   1.2583 16770.57  319.930 17263.56  477.423 16368.75  431.025  133.270   1.8455  129.784   1.7109 3.486618 2.516509 
1 1 1   -5   30   15 o   58.750   0.7912  3354.81   90.149  3202.08  127.922  3505.49  127.063   57.420   1.1477   60.081   1.0895 -2.660629 1.582443 
1 1 1   -5   30   16 o   58.849   2.9364  3363.90  327.246  3510.94  528.927  3272.71  416.540   59.831   4.5541   57.867   3.7082 1.964325 5.872836 
1 1 1   -5   30   17 o   71.619   0.9261  4982.43  128.566  5004.76  187.022  4962.42  177.030   71.769   1.3424   71.468   1.2760 0.3004532 1.852139 
1 1 1   -5   30   18 f   42.403   0.7890  1751.08   64.487  1705.71   96.436  1787.77   86.730   41.902   1.1856   42.903   1.0414 -1.000534 1.578022 
1 1 1   -5   30   19 o  103.882   1.0525 10535.01  207.531 10708.69  268.038 10275.06  327.922  104.974   1.3154  102.790   1.6434 2.183182 2.105016 
1 1 1   -5   30   20 o   42.544   2.8673  1812.70   86.405  1815.15   87.984  1746.18  458.146   43.225   1.0486   41.862   5.6379 1.363239 5.734569 
1 1 1   -5   30   21 o   65.851   0.8314  4207.32  104.468  4177.34  135.549  4251.17  163.949   65.570   1.0649   66.132   1.2771 -0.5617065 1.662881 
1 1 1   -5   30   22 o   49.493   0.8099  2386.40   77.417  2439.30  105.003  2323.39  114.594   50.099   1.0797   48.887   1.2076 1.212765 1.619860 
1 1 1   -5   30   23 o   34.187   0.9248  1128.57   61.131  1043.73   82.131  1233.96   91.537   32.758   1.2916   35.616   1.3240 -2.858524 1.849632 
1 1 1   -5   30   24 o   47.393   0.8531  2159.44   77.793  2001.70  102.152  2377.22  120.029   45.361   1.1601   49.424   1.2511 -4.062908 1.706175 
1 1 1   -5   30   25 f   32.906   1.0363  1046.71   65.884  958.917   88.129  1157.94   99.198   31.358   1.4478   34.455   1.4832 -3.096769 2.072660 
1 1 1   -5   30   26 o   29.794   1.0977  870.282   63.181  896.852   86.041  839.191   93.075   30.301   1.4628   29.287   1.6372 1.013855 2.195495 
1 1 1   -5   30   27 o   27.392   1.1883  737.005   63.040  677.532   88.868  797.243   89.438   26.267   1.7429   28.517   1.6157 -2.249474 2.376588 
1 1 1   -5   30   28 o   11.786   2.4760  144.499   61.659  110.123   84.918  182.834   89.675   10.507   3.5277   13.066   3.4752 -2.559358 4.951951 
1 1 1   -5   30   29 o   14.921   2.1961  234.583   62.804  299.979   90.281  173.261   87.423   17.179   2.7073   12.663   3.4588 4.516181 4.392295 
1 1 1   -5   30   30 o   7.9113   2.3947  -6.4274   67.977 -63.9225   92.129   62.276  100.710   6.5391   3.0341   9.2834   3.7057 -2.744299 4.789309 
1 1 1   -5   30   31 o   10.321   2.6751  107.079   70.334   92.109   98.859  122.423  100.089   9.8862   3.7467   10.756   3.8193 -0.8699818 5.350241 
1 1 1   -5   31    1 o  347.631   1.7714 117116.20  1185.90 115276.80  1574.94 119524.60  1802.17  344.503   2.3551  350.759   2.6468 -6.255646 3.542877 
1 1 1   -5   31    2 o  171.340   1.3182 28520.80  428.932 28573.04  552.388 28441.46  680.725  171.546   1.6588  171.134   2.0491 0.4120331 2.636402 
1 1 1   -5   31    3 o   35.662   0.7950  1217.97   44.404  1206.67   49.675  1262.88   99.049   35.258   0.7258   36.066   1.4148 -0.8081703 1.590068 
1 1 1   -5   31    4 o  299.871   1.8206 87227.20  1022.65 86855.75  1285.85 87866.52  1686.96  299.041   2.2151  300.702   2.8900 -1.661346 3.641289 
1 1 1   -5   31    5 o   50.974   2.5509  2545.19  250.196  2700.80  338.961  2358.94  370.845   52.706   3.3130   49.242   3.8796 3.463951 5.101729 
1 1 1   -5   31    6 o   78.393   1.7209  6169.31  145.513  6210.96  152.333  5735.15  491.807   79.988   0.9811   76.797   3.2990 3.190903 3.441801 
1 1 1   -5   31    7 o  243.366   1.7466 56977.48  770.049 55976.00  930.195 59158.46  1372.71  240.054   1.9962  246.678   2.8667 -6.624466 3.493237 
1 1 1   -5   31    8 o  190.586   1.4178 35274.81  514.914 35221.58  667.136 35353.25  809.829  190.425   1.8048  190.747   2.1871 -0.3221588 2.835608 
1 1 1   -5   31    9 o   86.992   0.8687  7355.60  141.054  7376.78  176.810  7318.54  233.938   87.168   1.0449   86.815   1.3882 0.3534851 1.737486 
1 1 1   -5   31   10 o  219.139   1.4123 46663.54  600.641 47225.95  843.254 46084.32  855.753  220.482   1.9702  217.795   2.0241 2.686829 2.824697 
1 1 1   -5   31   11 o  104.702   1.1369 10646.52  231.053 10747.25  329.005 10548.49  324.558  105.190   1.6112  104.214   1.6044 0.9769211 2.273783 
1 1 1   -5   31   12 o   12.785   1.4564  158.611   34.885  199.879   52.910  126.874   46.399   14.341   1.9005   11.229   2.2072 3.111971 2.912721 
1 1 1   -5   31   13 o   87.094   0.9899  7366.77  167.155  7398.71  242.566  7337.89  230.668   87.272   1.4318   86.916   1.3672 0.3561783 1.979712 
1 1 1   -5   31   14 o  109.339   1.1600 11617.35  246.186 11803.06  348.930 11433.27  347.393  110.210   1.6310  108.468   1.6499 1.741707 2.319966 
1 1 1   -5   31   15 o   75.411   0.9054  5510.67  132.289  5731.25  194.464  5320.65  180.488   76.811   1.3042   74.011   1.2563 2.800346 1.810856 
1 1 1   -5   31   16 f   31.891   4.4922  1018.49  252.358  1057.39  459.762  1001.72  301.901   31.875   7.5473   31.908   4.8741 -0.3389931E-01 8.984351 
1 1 1   -5   31   17 o   95.955   1.1221  8926.89  208.319  9226.69  309.458  8678.45  281.709   97.420   1.6364   94.490   1.5358 2.929314 2.244248 
1 1 1   -5   31   18 o   37.171   0.8015  1343.97   57.481  1326.05   85.880  1358.51   77.367   36.945   1.1975   37.398   1.0657 -0.4532204 1.603045 
1 1 1   -5   31   19 o   11.013   1.7961  118.802   43.207   26.386   60.902  212.451   61.307   7.2562   2.8863   14.769   2.1384 -7.513079 3.592163 
1 1 1   -5   31   20 o   38.883   0.8166  1461.18   61.421  1378.09   82.720  1563.27   91.696   37.659   1.1316   40.107   1.1778 -2.448498 1.633276 
1 1 1   -5   31   21 o  116.010   1.5031 13092.84  338.489 13092.84  338.489   0.0000   0.0000  116.010   1.5031  ?   ?       ?      ? 
1 1 1   -5   31   22 o   52.658   0.8137  2665.53   82.162  2516.58  106.923  2880.28  128.389   50.886   1.0824   54.430   1.2151 -3.543720 1.627340 
1 1 1   -5   31   23 o   59.599   0.8391  3435.05   95.030  3363.25  121.878  3546.40  151.772   58.820   1.0674   60.378   1.2949 -1.558254 1.678160 
1 1 1   -5   31   24 o   8.7590   2.3775   52.193   56.750   51.979   80.014   52.410   80.501   8.7443   3.3571   8.7736   3.3676 -0.2936935E-01 4.755062 
1 1 1   -5   31   25 o   59.557   0.8693  3480.51   98.555  3592.31  128.606  3321.43  153.407   60.748   1.0906   58.366   1.3540 2.381523 1.738591 
1 1 1   -5   31   26 o   13.569   2.2617  194.192   59.997  257.034   83.879  128.359   85.853   15.850   2.8300   11.288   3.5289 4.562553 4.523472 
1 1 1   -5   31   27 o   10.416   2.3477  102.761   58.794   29.216   86.034  167.204   80.534   8.2317   3.3738   12.601   3.2656 -4.369408 4.695387 
1 1 1   -5   31   28 o   38.051   0.9681  1422.51   71.417  1457.75   99.390  1384.90  102.689   38.552   1.3281   37.551   1.4088 1.000175 1.936101 
1 1 1   -5   31   29 o   25.500   1.3693  640.937   67.417  581.120   89.896  717.822  101.917   24.161   1.9167   26.839   1.9562 -2.677938 2.738664 
1 1 1   -5   31   30 o   21.951   1.6083  487.980   68.374  444.097   94.693  535.781   98.829   20.896   2.3344   23.006   2.2130 -2.109182 3.216688 
1 1 1   -5   31   31 o   22.870   1.6551  536.057   73.295  487.411  100.786  590.665  106.784   21.746   2.3875   23.994   2.2927 -2.247351 3.310099 
1 1 1   -5   32    1 o   72.948   0.8067  5134.59  107.514  5074.56  131.074  5258.01  187.961   72.302   0.9339   73.593   1.3157 -1.290466 1.613475 
1 1 1   -5   32    2 o   36.316   0.7948  1313.66   47.676  1345.41   54.938  1216.85   95.945   37.230   0.7602   35.403   1.3961 1.827198 1.589664 
1 1 1   -5   32    3 f   71.627   0.7866  4934.75  101.833  4857.21  122.813  5105.34  182.168   70.737   0.8944   72.516   1.2941 -1.779190 1.573110 
1 1 1   -5   32    4 f  199.307   1.6890 38375.50  588.279 38097.12  693.226 39091.83  1112.02  198.064   1.8030  200.549   2.8565 -2.484146 3.377917 
1 1 1   -5   32    5 o   94.311   1.6310  8443.08  184.266  8390.47  194.657  8896.76  571.630   92.967   1.0786   95.655   3.0785 -2.688187 3.262020 
1 1 1   -5   32    6 o  197.141   1.7219 37982.93  597.679 38281.30  710.511 37260.85  1105.31  198.526   1.8437  195.756   2.9087 2.770203 3.443838 
1 1 1   -5   32    7 o  224.826   1.7712 49263.25  716.943 49485.08  866.073 48780.26  1277.95  225.695   1.9768  223.958   2.9396 1.736664 3.542436 
1 1 1   -5   32    8 o  108.181   1.0249 11390.77  207.493 11463.77  261.244 11266.04  341.498  108.659   1.2386  107.703   1.6334 0.9557877 2.049887 
1 1 1   -5   32    9 o   19.011   0.8265  361.057   29.570  441.848   40.666  270.411   43.075   21.334   0.9820   16.688   1.3297 4.645874 1.652984 
1 1 1   -5   32   10 o   97.621   0.9245  9323.46  171.502  9618.33  222.951  8896.10  268.408   99.530   1.1540   95.711   1.4447 3.819374 1.848968 
1 1 1   -5   32   11 o   46.026   0.6724  2056.87   60.062  2047.28   85.769  2066.10   84.135   45.920   0.9622   46.131   0.9395 -0.2108727 1.344828 
1 1 1   -5   32   12 o   45.840   0.6845  2033.94   60.811  2155.57   89.150  1928.11   83.161   47.117   0.9747   44.562   0.9614 2.555023 1.369044 
1 1 1   -5   32   13 o  133.993   1.3002 17460.02  337.062 17343.21  496.478 17559.89  459.072  133.569   1.9148  134.417   1.7594 -0.8482971 2.600389 
1 1 1   -5   32   14 o   98.042   1.0808  9344.50  205.288  9269.51  299.341  9411.09  282.069   97.667   1.5789   98.418   1.4764 -0.7505112 2.161669 
1 1 1   -5   32   15 f   51.398   0.7578  2567.98   75.535  2485.67  108.041  2646.69  105.645   50.590   1.1002   52.205   1.0425 -1.614586 1.515631 
1 1 1   -5   32   16 o   68.269   0.8872  4523.75  117.387  4596.71  171.557  4459.52  160.968   68.784   1.2849   67.753   1.2239 1.031075 1.774485 
1 1 1   -5   32   17 o   69.329   0.9105  4666.38  122.340  4733.80  178.645  4606.84  167.885   69.798   1.3185   68.860   1.2560 0.9387817 1.820971 
1 1 1   -5   32   18 o   31.614   0.8806  976.249   53.633  922.793   79.599  1020.70   72.583   30.815   1.3307   32.413   1.1536 -1.598518 1.761113 
1 1 1   -5   32   19 o   61.637   0.8818  3695.82  105.393  3534.85  150.053  3852.54  148.061   60.309   1.2817   62.965   1.2114 -2.656258 1.763607 
1 1 1   -5   32   20 o   68.846   2.9179  5769.76  166.761  5919.30  172.305  3557.54  662.719   78.047   1.1373   59.646   5.7238 18.40177 5.835721 
1 1 1   -5   32   21 o   70.161   0.8809  4765.81  117.506  4688.05  150.999  4885.20  187.103   69.450   1.1201   70.871   1.3600 -1.421463 1.761868 
1 1 1   -5   32   22 o   66.444   0.8736  4318.88  110.636  4438.89  144.570  4149.26  171.876   67.577   1.1021   65.310   1.3557 2.266594 1.747153 
1 1 1   -5   32   23 o   26.533   1.1534  686.871   59.326  706.660   82.595  665.782   85.267   26.931   1.5799   26.134   1.6808 0.7971039 2.306728 
1 1 1   -5   32   24 o   17.243   1.9004  318.108   57.798  427.513   78.727  190.197   85.126   20.904   1.9401   13.582   3.2684 7.322968 3.800836 
1 1 1   -5   32   25 o   38.428   0.9564  1432.42   71.079  1351.54   95.657  1532.13  106.213   37.227   1.3237   39.628   1.3807 -2.400810 1.912747 
1 1 1   -5   32   26 o   37.455   0.9494  1376.50   68.523  1432.39   92.653  1309.02  101.804   38.314   1.2458   36.595   1.4331 1.718548 1.898866 
1 1 1   -5   32   27 o   36.107   1.0051  1278.93   70.345  1300.91   97.425  1254.98  101.678   36.442   1.3772   35.772   1.4643 0.6705818 2.010181 
1 1 1   -5   32   28 o   13.779   2.1790  201.683   61.377   90.509   86.045  316.846   87.575   9.8450   3.5364   17.713   2.5470 -7.867896 4.358101 
1 1 1   -5   32   29 o   36.783   1.0267  1335.72   73.174  1367.47  101.244  1300.99  105.878   37.261   1.3997   36.304   1.5024 0.9572449 2.053405 
1 1 1   -5   32   30 f   11.329   2.6467  139.692   67.643  148.624   97.486  131.398   93.935   11.613   3.7753   11.045   3.7103 0.5678520 5.293336 
1 1 1   -5   32   31 o   15.905   2.6915  294.628   80.702  301.746  128.550  289.997  103.678   15.825   4.1379   15.985   3.4429 -0.1603489 5.382914 
1 1 1   -5   33    1 o  126.180   1.1521 15486.96  270.832 15554.40  338.803 15367.58  450.767  126.570   1.3790  125.790   1.8460 0.7803726 2.304214 
1 1 1   -5   33    2 o  150.254   1.3419 21832.13  368.330 21648.18  449.386 22208.66  642.928  149.311   1.5505  151.197   2.1906 -1.885681 2.683742 
1 1 1   -5   33    3 o  102.184   0.9783 10060.29  184.902  9886.50  228.092 10393.41  315.780  100.912   1.1644  103.455   1.5724 -2.543068 1.956604 
1 1 1   -5   33    4 o   19.901   3.4095  455.750   39.945  459.194   40.262  239.909  318.733   21.749   0.9537   18.053   6.7520 3.696272 6.819053 
1 1 1   -5   33    5 o   98.299   1.7355  9602.07  213.270  9668.51  227.439  9118.12  613.817   99.792   1.1741   96.807   3.2664 2.984833 3.470997 
1 1 1   -5   33    6 o   66.925   2.0640  4979.76  126.202  5075.30  130.795  3690.60  480.450   72.305   0.9319   61.546   4.0215 10.75949 4.128042 
1 1 1   -5   33    7 o  157.522   1.7500 24627.98  451.020 25083.90  516.820 23171.65  923.683  160.708   1.6567  154.336   3.0831 6.371643 3.500020 
1 1 1   -5   33    8 o   56.042   0.6554  3065.83   69.147  3120.25   88.080  2978.43  111.628   56.695   0.8003   55.389   1.0382 1.306286 1.310887 
1 1 1   -5   33    9 o   85.141   0.8721  6992.53  137.772  6884.79  170.668  7194.08  233.430   84.210   1.0441   86.071   1.3971 -1.860893 1.744131 
1 1 1   -5   33   10 o  262.703   1.6722 67045.21  843.347 66715.39  1111.75 67492.23  1294.30  261.977   2.1862  263.429   2.5311 -1.452087 3.344493 
1 1 1   -5   33   11 o  190.691   1.5022 35297.65  551.620 35804.63  837.222 34908.73  733.286  191.879   2.2478  189.503   1.9934 2.376236 3.004331 
1 1 1   -5   33   12 o   67.799   0.8346  4461.67  109.781  4535.57  158.395  4393.35  152.291   68.339   1.1940   67.260   1.1664 1.079025 1.669193 
1 1 1   -5   33   13 o  105.956   1.1518 10876.52  236.093 11298.15  351.123 10528.60  318.961  107.820   1.6776  104.091   1.5785 3.728897 2.303525 
1 1 1   -5   33   14 o   14.324   1.3555  199.172   37.645  213.649   54.362  185.833   52.180   14.824   1.8892   13.824   1.9444 0.9993229 2.711078 
1 1 1   -5   33   15 o   11.835   1.7419  145.078   39.104   99.796   58.461  181.740   52.603   10.001   2.8647   13.668   1.9826 -3.666570 3.483829 
1 1 1   -5   33   16 o   52.651   0.7881  2697.39   80.322  2621.21  117.054  2765.17  110.421   51.946   1.1608   53.357   1.0661 -1.410900 1.576102 
1 1 1   -5   33   17 o  123.718   1.3537 14852.81  323.577 15289.26  484.454 14501.28  434.779  125.342   1.9911  122.093   1.8345 3.248039 2.707350 
1 1 1   -5   33   18 o   82.167   1.0320  6561.54  164.511  6617.43  237.092  6509.66  228.455   82.503   1.4804   81.832   1.4382 0.6707306 2.063973 
1 1 1   -5   33   19 o   64.053   0.9036  3995.72  111.989  3881.42  163.788  4096.07  153.468   63.187   1.3353   64.919   1.2178 -1.732460 1.807249 
1 1 1   -5   33   20 o  106.157   1.1707 10956.98  230.290 10933.73  285.765 11000.04  388.946  106.038   1.3883  106.275   1.8853 -0.2373886 2.341349 
1 1 1   -5   33   21 o   52.427   0.8252  2649.12   83.016  2531.00  108.442  2816.34  129.029   51.032   1.0947   53.822   1.2350 -2.789978 1.650325 
1 1 1   -5   33   22 o   27.017   1.1772  714.572   61.063  587.773   85.616  845.851   87.115   24.557   1.7960   29.477   1.5225 -4.919319 2.354488 
1 1 1   -5   33   23 o   23.425   1.3038  537.290   59.118  565.390   82.066  506.979   85.234   24.070   1.7564   22.780   1.9274 1.289818 2.607664 
1 1 1   -5   33   24 f   18.119   1.7167  322.801   60.221  321.220   82.165  324.637   88.522   18.079   2.3412   18.158   2.5114 -0.7901001E-01 3.433382 
1 1 1   -5   33   25 o   39.054   0.9299  1491.66   70.219  1535.30   96.029  1441.51  102.940   39.680   1.2467   38.429   1.3800 1.251263 1.859721 
1 1 1   -5   33   26 o   26.976   1.1990  719.486   62.199  615.788   88.820  819.272   87.128   25.030   1.8280   28.921   1.5519 -3.891476 2.397968 
1 1 1   -5   33   27 o   7.8529   2.3091   19.521   58.190   37.347   85.500   4.1404   79.421   8.3712   3.3886   7.3347   3.1376 1.036503 4.618106 
1 1 1   -5   33   28 o   12.137   2.4487  153.491   64.710   78.844   90.501  231.575   92.561   9.5909   3.5958   14.683   3.3247 -5.092278 4.897307 
1 1 1   -5   33   29 o   19.122   1.7858  374.086   66.073  344.885   94.147  402.427   92.751   18.339   2.6446   19.904   2.4005 -1.564848 3.571608 
1 1 1   -5   33   30 o   24.880   1.5006  628.208   72.328  648.807  100.380  605.964  104.308   25.344   2.0403   24.415   2.2009 0.9289989 3.001133 
1 1 1   -5   33   31 o   15.779   2.6330  286.263   78.903  335.232  120.799  249.825  104.202   16.935   3.7715   14.624   3.6750 2.310337 5.265914 
1 1 1   -5   34    1 o   96.443   0.9619  9009.83  171.043  8962.49  210.835  9100.96  292.542   96.080   1.1304   96.807   1.5567 -0.7266693 1.923883 
1 1 1   -5   34    2 f  133.672   1.1801 17184.88  294.091 16765.48  365.715 17952.44  494.752  131.398   1.4338  135.947   1.8748 -4.548874 2.360223 
1 1 1   -5   34    3 o   81.669   0.8628  6484.17  129.720  6502.04  159.953  6449.83  221.721   81.838   1.0069   81.500   1.4015 0.3382874 1.725664 
1 1 1   -5   34    4 o   24.135   3.5255  735.147   45.558  741.727   45.987  387.491  334.258   27.642   0.8571   20.629   6.9986 7.012772 7.050917 
1 1 1   -5   34    5 o  153.929   1.6971 22985.54  418.868 22951.98  473.585 23106.13  897.679  153.731   1.5870  154.127   3.0004 -0.3957520 3.394239 
1 1 1   -5   34    6 o  147.473   1.7136 21176.38  393.595 21202.54  440.659 21073.16  875.302  147.760   1.5363  147.186   3.0636 0.5733185 3.427193 
1 1 1   -5   34    7 o   82.051   1.8012  6628.31  157.069  6644.88  164.011  6444.95  545.656   82.732   1.0213   81.370   3.4545 1.361336 3.602323 
1 1 1   -5   34    8 o   71.154   0.7713  4852.90  101.523  4715.75  124.940  5119.45  174.180   69.696   0.9235   72.611   1.2357 -2.915359 1.542689 
1 1 1   -5   34    9 o   79.536   0.8346  6104.97  123.398  6013.98  153.231  6272.87  208.144   78.703   1.0030   80.369   1.3342 -1.666183 1.669109 
1 1 1   -5   34   10 o   69.744   0.9060  4722.49  122.411  4749.56  179.197  4698.82  167.614   69.930   1.3201   69.558   1.2414 0.3718491 1.812064 
1 1 1   -5   34   11 o  150.414   1.2174 22001.38  352.544 22104.18  470.024 21869.15  533.046  150.828   1.6054  150.000   1.8307 0.8285217 2.434851 
1 1 1   -5   34   12 o   94.951   1.0757  8758.23  198.122  8797.47  286.191  8722.13  274.545   95.154   1.5494   94.749   1.4927 0.4046173 2.151469 
1 1 1   -5   34   13 o   60.555   0.7937  3561.92   93.273  3476.47  132.026  3647.06  131.791   59.829   1.1368   61.281   1.1079 -1.451359 1.587358 
1 1 1   -5   34   14 o  112.319   1.2020 12259.93  261.558 12324.79  382.430 12202.93  358.523  112.592   1.7498  112.045   1.6484 0.5474396 2.403922 
1 1 1   -5   34   15 o   30.721   0.8176  919.015   48.337  898.989   72.916  934.714   64.561   30.420   1.2348   31.022   1.0721 -0.6020832 1.635286 
1 1 1   -5   34   16 o   93.639   1.1038  8519.09  200.277  8599.21  292.873  8448.72  274.488   94.048   1.6042   93.230   1.5167 0.8183517 2.207698 
1 1 1   -5   34   17 o   20.040   1.1967  394.635   45.765  366.146   70.055  415.845   60.447   19.399   1.8604   20.682   1.5056 -1.283464 2.393300 
1 1 1   -5   34   18 o   81.973   1.0499  6539.05  166.736  6435.96  242.377  6631.66  229.732   81.354   1.5348   82.591   1.4329 -1.237663 2.099721 
1 1 1   -5   34   19 o   63.366   0.9235  3905.18  113.540  3805.80  161.568  4002.14  159.590   62.567   1.3303   64.165   1.2813 -1.597382 1.846978 
1 1 1   -5   34   20 o   66.907   0.8563  4377.03  109.077  4486.99  142.059  4219.08  170.257   67.948   1.0770   65.866   1.3316 2.082222 1.712650 
1 1 1   -5   34   21 o   62.663   0.8495  3836.65  101.893  3939.53  134.405  3697.62  156.246   63.665   1.0875   61.661   1.3054 2.004620 1.699052 
1 1 1   -5   34   22 o   52.720   0.8376  2699.60   85.005  2676.89  112.907  2729.33  129.155   52.471   1.1085   52.969   1.2561 -0.4982758 1.675285 
1 1 1   -5   34   23 o   53.019   0.8635  2743.48   88.146  2794.39  117.990  2679.18  132.599   53.588   1.1343   52.450   1.3023 1.137768 1.727034 
1 1 1   -5   34   24 o   33.287   1.0241  1090.74   65.569  1215.06   90.742  954.913   94.853   35.304   1.3241   31.271   1.5626 4.033598 2.048159 
1 1 1   -5   34   25 o   40.026   0.9101  1566.92   70.531  1634.90   97.761  1493.12  101.856   40.943   1.2301   39.109   1.3417 1.833385 1.820188 
1 1 1   -5   34   26 o   41.128   0.8753  1652.30   69.867  1702.54   99.603  1603.63   98.030   41.745   1.2291   40.511   1.2466 1.234615 1.750641 
1 1 1   -5   34   27 o   36.811   0.9795  1329.76   69.973  1342.52  100.342  1317.67   97.626   36.979   1.3978   36.643   1.3725 0.3363457 1.959016 
1 1 1   -5   34   28 o   26.105   1.3377  675.882   67.565  755.549   97.983  603.659   93.293   27.588   1.8296   24.622   1.9519 2.966349 2.675377 
1 1 1   -5   34   29 o   12.978   2.4847  183.679   64.942  139.921   87.874  236.342   96.402   11.339   3.5742   14.618   3.4525 -3.278059 4.969340 
1 1 1   -5   34   30 o   19.642   2.0734  417.665   71.863  238.516   98.045  625.639  105.638   14.512   3.5171   24.772   2.1968 -10.25971 4.146790 
1 1 1   -5   35    1 o  149.357   1.2458 21625.34  350.842 21491.63  445.303 21844.20  569.698  148.762   1.5420  149.952   1.9572 -1.189194 2.491668 
1 1 1   -5   35    2 o  113.513   1.0634 12495.05  225.403 12447.63  282.229 12578.58  374.553  113.224   1.2841  113.802   1.6955 -0.5773315 2.126885 
1 1 1   -5   35    3 o   43.743   0.6830  1893.86   54.770  1975.03   67.982  1743.72   92.456   45.106   0.7764   42.379   1.1239 2.726948 1.365974 
1 1 1   -5   35    4 o   32.411   3.5124  1324.19   56.287  1336.64   56.931  783.235  375.330   37.107   0.7904   27.715   6.9803 9.392252 7.024901 
1 1 1   -5   35    5 o  109.670   1.7612 11987.67  256.540 12101.43  276.586 11287.15  686.353  111.639   1.2763  107.700   3.2830 3.938957 3.522323 
1 1 1   -5   35    6 o   53.024   2.2716  2820.10   83.193  2826.17   84.639  2646.98  452.073   53.957   0.8081   52.091   4.4708 1.865826 4.543206 
1 1 1   -5   35    7 o   21.609   4.7547  445.953  217.102  398.030  279.085  519.399  345.497   20.251   6.3676   22.967   7.0626 -2.716394 9.509345 
1 1 1   -5   35    8 o  166.875   1.3735 27086.98  433.600 27174.18  554.716 26950.01  695.203  167.244   1.7087  166.506   2.1509 0.7380676 2.746957 
1 1 1   -5   35    9 o  150.651   1.3012 22136.93  369.035 22391.89  469.386 21724.24  597.181  151.816   1.5928  149.487   2.0580 2.329086 2.602325 
1 1 1   -5   35   10 o   40.370   0.6144  1585.40   47.052  1597.04   60.551  1567.66   74.754   40.559   0.7691   40.181   0.9584 0.3775673 1.228820 
1 1 1   -5   35   11 o   59.080   0.6915  3369.52   76.596  3314.74   96.158  3464.62  126.700   58.430   0.8478   59.730   1.0927 -1.300053 1.383040 
1 1 1   -5   35   12 o   52.479   0.7168  2674.43   73.023  2681.48  103.251  2667.37  103.288   52.549   1.0122   52.410   1.0152 0.1385002 1.433626 
1 1 1   -5   35   13 o   96.905   1.0840  9125.79  203.633  9117.97  295.847  9132.83  280.711   96.863   1.5734   96.948   1.4916 -0.8510590E-01 2.168081 
1 1 1   -5   35   14 o   16.331   1.3483  267.660   40.691  229.868   66.061  290.765   51.653   15.367   2.2146   17.296   1.5385 -1.929280 2.696578 
1 1 1   -5   35   15 o   92.653   1.1036  8341.46  198.151  8403.16  289.253  8286.90  271.997   92.972   1.6027   92.335   1.5175 0.6377106 2.207170 
1 1 1   -5   35   16 o   50.991   0.8000  2530.05   78.973  2460.62  115.056  2591.91  108.594   50.327   1.1777   51.656   1.0830 -1.328915 1.599969 
1 1 1   -5   35   17 o   75.143   0.9783  5473.54  142.001  5633.46  212.844  5345.26  190.627   76.125   1.4403   74.161   1.3242 1.963776 1.956530 
1 1 1   -5   35   18 o   42.539   0.8352  1762.67   68.514  1721.24  102.319  1796.35   92.249   42.082   1.2526   42.997   1.1052 -0.9151917 1.670468 
1 1 1   -5   35   19 o   37.508   0.9237  1353.89   66.542  1459.25  103.297  1279.16   86.998   38.740   1.3736   36.277   1.2354 2.462967 1.847460 
1 1 1   -5   35   20 o   34.272   0.9193  1142.30   61.142  1148.90   85.604  1135.42   87.359   34.374   1.2829   34.170   1.3171 0.2040672 1.838623 
1 1 1   -5   35   21 o   38.400   0.8885  1433.50   66.185  1418.40   91.753  1449.87   95.562   38.191   1.2376   38.610   1.2750 -0.4190407 1.776925 
1 1 1   -5   35   22 o   46.552   0.8361  2116.33   75.172  2206.14  102.641  2012.42  110.402   47.628   1.1102   45.476   1.2506 2.151459 1.672288 
1 1 1   -5   35   23 o   83.794   1.0066  6874.33  159.118  6973.81  203.251  6716.85  255.739   84.625   1.2373   82.963   1.5880 1.662323 2.013107 
1 1 1   -5   35   24 o   15.728   2.0517  257.505   59.890  400.675   86.967  128.367   82.596   20.179   2.2202   11.278   3.4508 8.900991 4.103299 
1 1 1   -5   35   25 o   24.569   1.2647  587.862   60.082  658.032   89.484  530.262   81.075   25.895   1.7802   23.243   1.7969 2.651991 2.529394 
1 1 1   -5   35   26 o   6.9857   2.1217 -26.0237   57.187 -114.6231   85.558   45.524   76.885   5.6584   2.7126   8.3130   3.2631 -2.654604 4.243323 
1 1 1   -5   35   27 o   13.805   2.3482  208.182   62.815  161.859   92.364  248.042   85.679   12.271   3.6258   15.339   2.9850 -3.067116 4.696422 
1 1 1   -5   35   28 o   23.294   1.4827  543.666   67.034  553.813   95.821  533.941   93.812   23.506   2.1000   23.083   2.0937 0.4233742 2.965383 
1 1 1   -5   35   29 o   14.626   2.2953  232.861   66.088  322.900   95.136  148.890   91.874   17.632   2.7795   11.619   3.6535 6.012836 4.590595 
1 1 1   -5   35   30 o   41.878   1.1915  1733.00   95.762  1912.43  149.480  1608.10  124.716   43.628   1.7650   40.127   1.6011 3.500568 2.383036 
1 1 1   -5   36    1 o   80.112   0.8709  6224.98  127.384  6212.45  155.566  6250.49  221.917   79.995   1.0018   80.229   1.4249 -0.2346573 1.741852 
1 1 1   -5   36    2 o  116.872   1.1001 13221.14  238.131 13119.64  294.873 13411.44  403.768  116.240   1.3068  117.505   1.7702 -1.265327 2.200279 
1 1 1   -5   36    3 o   56.625   2.2070  3522.75   95.920  3562.96   98.249  2704.74  443.118   60.583   0.8354   52.667   4.3342 7.915619 4.414023 
1 1 1   -5   36    4 o  150.256   1.7676 22217.45  415.272 22406.59  466.419 21494.15  912.096  151.890   1.5819  148.622   3.1615 3.268295 3.535177 
1 1 1   -5   36    5 o  194.026   1.7967 36820.45  597.809 37069.73  698.910 36140.95  1153.94  195.339   1.8432  192.713   3.0846 2.625702 3.593380 
1 1 1   -5   36    6 o  142.571   1.8005 19973.35  384.431 20092.93  425.717 19444.99  894.865  143.830   1.5248  141.312   3.2622 2.518051 3.600979 
1 1 1   -5   36    7 o  126.079   1.7777 15048.22  306.541 14883.50  330.711 16053.13  816.852  123.792   1.3762  128.366   3.2781 -4.574333 3.555312 
1 1 1   -5   36    8 o   40.184   0.6086  1553.17   46.216  1506.67   58.563  1629.94   75.248   39.395   0.7658   40.972   0.9461 -1.577450 1.217198 
1 1 1   -5   36    9 o   44.471   0.6247  1892.19   52.240  1813.31   65.511  2029.95   86.576   43.218   0.7809   45.723   0.9754 -2.505585 1.249493 
1 1 1   -5   36   10 o  104.713   1.0322 10624.72  201.329 10555.00  251.112 10750.18  336.862  104.247   1.2409  105.179   1.6499 -0.9320068 2.064465 
1 1 1   -5   36   11 f  113.503   1.0444 12540.60  225.485 12635.90  291.735 12399.19  355.366  114.052   1.3177  112.954   1.6207 1.097755 2.088806 
1 1 1   -5   36   12 o   91.335   1.0452  8105.26  185.146  8111.56  267.499  8099.47  256.519   91.367   1.5082   91.303   1.4473 0.6403351E-01 2.090349 
1 1 1   -5   36   13 o   16.160   1.1878  252.686   36.803  311.704   54.132  201.960   50.186   17.908   1.5572   14.411   1.7940 3.496571 2.375544 
1 1 1   -5   36   14 o  121.636   1.3335 14388.96  313.464 14421.82  466.044 14361.83  423.599  121.751   1.9719  121.522   1.7957 0.2286453 2.667027 
1 1 1   -5   36   15 o   83.940   1.0339  6825.74  167.718  7078.26  251.111  6622.37  225.352   85.333   1.5159   82.548   1.4063 2.785065 2.067821 
1 1 1   -5   36   16 o   82.067   1.0346  6521.80  163.944  6782.79  246.783  6315.62  219.340   83.526   1.5220   80.609   1.4018 2.917519 2.069188 
1 1 1   -5   36   17 o   94.340   1.1970  8657.50  219.140  8700.99  313.905  8616.14  306.065   94.569   1.7100   94.111   1.6754 0.4577332 2.393904 
1 1 1   -5   36   18 o   31.883   0.9265  994.029   56.994  913.428   83.003  1065.93   78.398   30.650   1.3951   33.117   1.2195 -2.466961 1.852972 
1 1 1   -5   36   19 o   67.489   0.9665  4428.12  126.457  4464.66  183.930  4395.37  174.145   67.749   1.3986   67.228   1.3344 0.5212402 1.933047 
1 1 1   -5   36   20 o   91.104   1.0411  8060.81  176.732  8021.84  220.650  8130.55  295.184   90.829   1.2514   91.379   1.6641 -0.5497284 2.082160 
1 1 1   -5   36   21 o   73.487   0.9083  5279.15  126.393  5374.33  162.606  5133.85  200.900   74.347   1.1267   72.627   1.4250 1.720428 1.816615 
1 1 1   -5   36   22 o   42.594   0.8840  1763.85   72.790  1741.93   98.284  1790.49  108.328   42.306   1.1968   42.881   1.3014 -0.5750351 1.768021 
1 1 1   -5   36   23 o   38.233   0.9251  1421.68   68.515  1296.17   94.789  1559.01   99.149   36.466   1.3391   40.000   1.2769 -3.534428 1.850297 
1 1 1   -5   36   24 o   41.861   0.9024  1708.51   73.299  1680.46  102.005  1738.45  105.398   41.508   1.2660   42.214   1.2862 -0.7067680 1.804721 
1 1 1   -5   36   25 o   8.3316   2.3460   28.543   61.802 -59.4100  100.305   82.364   78.465   7.1146   3.2515   9.5485   3.3826 -2.433942 4.691906 
1 1 1   -5   36   26 f   31.000   1.0854  945.375   65.241  923.586   93.842  965.759   90.766   30.643   1.5776   31.357   1.4912 -0.7139435 2.170833 
1 1 1   -5   36   27 o   35.273   1.0561  1226.81   72.170  1293.01  101.079  1157.97  103.077   36.264   1.4359   34.282   1.5489 1.981976 2.112104 
1 1 1   -5   36   28 o   35.735   1.1219  1258.88   77.649  1174.87  105.695  1357.39  114.452   34.449   1.5806   37.022   1.5926 -2.573792 2.243764 
1 1 1   -5   36   29 o   28.086   1.3541  793.274   73.757  823.833  103.759  762.059  104.867   28.657   1.8652   27.514   1.9635 1.143589 2.708153 
1 1 1   -5   36   30 o   17.126   2.4459  349.567   78.028  238.062  120.332  430.468  102.497   14.007   4.1385   20.244   2.6082 -6.237844 4.891816 
1 1 1   -5   37    1 o   31.406   0.8614  939.454   46.804  918.282   54.609  998.049   90.847   30.755   0.9147   32.057   1.4599 -1.302109 1.722771 
1 1 1   -5   37    2 o  163.192   1.3197 25808.64  406.103 25601.58  515.283 26148.10  659.765  162.349   1.6350  164.035   2.0720 -1.685654 2.639422 
1 1 1   -5   37    3 o   72.177   2.1030  5562.60  139.701  5636.19  144.600  4531.62  541.251   76.193   0.9777   68.161   4.0907 8.031822 4.205908 
1 1 1   -5   37    4 o   34.395   4.5661  1292.24  280.205  1568.03  355.879  842.393  454.513   40.061   4.5763   28.728   7.9028 11.33313 9.132199 
1 1 1   -5   37    5 o   54.331   2.5112  3101.94   87.481  3116.28   88.849  2647.15  500.415   56.657   0.8079   52.006   4.9569 4.650875 5.022323 
1 1 1   -5   37    6 o   80.103   2.0426  6705.19  162.171  6785.64  168.726  5729.75  587.517   83.597   1.0397   76.609   3.9507 6.987350 4.085217 
1 1 1   -5   37    7 o   21.782   3.4567  480.449   41.544  481.161   41.896  438.639  321.125   22.261   0.9695   21.303   6.8452 0.9583588 6.913493 
1 1 1   -5   37    8 o  118.449   1.1111 13567.63  244.186 13416.54  302.780 13848.73  412.989  117.528   1.3272  119.370   1.7823 -1.842117 2.222141 
1 1 1   -5   37    9 o  114.846   1.1146 12884.59  238.806 13070.43  300.064 12563.54  394.397  115.999   1.3326  113.692   1.7871 2.307426 2.229201 
1 1 1   -5   37   10 o   94.723   0.9646  8763.10  170.903  8894.93  215.522  8539.78  280.508   95.700   1.1602   93.747   1.5414 1.953407 1.929242 
1 1 1   -5   37   11 o   50.912   0.6569  2521.27   63.072  2535.46   80.312  2498.44  101.882   51.102   0.8096   50.723   1.0347 0.3797035 1.313825 
1 1 1   -5   37   12 o   63.759   0.8154  3947.60  100.878  3984.78  144.887  3912.61  140.538   64.049   1.1653   63.468   1.1407 0.5816574 1.630713 
1 1 1   -5   37   13 o   73.791   0.9179  5285.45  131.350  5396.46  190.760  5185.38  181.127   74.526   1.3186   73.056   1.2772 1.469673 1.835753 
1 1 1   -5   37   14 o   58.603   0.8134  3328.96   92.283  3429.90  136.410  3243.78  125.310   59.419   1.1826   57.787   1.1171 1.631901 1.626819 
1 1 1   -5   37   15 o   35.213   0.8313  1209.00   56.127  1175.88   85.778  1233.80   74.220   34.787   1.2703   35.639   1.0728 -0.8523178 1.662684 
1 1 1   -5   37   16 o  125.026   1.5422 15183.47  373.670 15995.77  548.167 14478.38  510.718  128.136   2.2038  121.916   2.1580 6.219612 3.084459 
1 1 1   -5   37   17 o   65.025   0.9082  4111.14  114.571  4075.75  164.418  4144.55  159.738   64.751   1.3081   65.299   1.2602 -0.5479507 1.816376 
1 1 1   -5   37   18 o   69.425   0.9621  4671.05  129.290  4883.54  191.621  4493.48  175.173   70.867   1.3929   67.984   1.3274 2.883156 1.924127 
1 1 1   -5   37   19 o   31.090   1.0285  937.475   61.740  967.415   92.828  913.725   82.678   31.531   1.5166   30.649   1.3896 0.8811455 2.057005 
1 1 1   -5   37   20 o   67.747   1.0886  4461.38  143.165  4461.38  143.165   0.0000   0.0000   67.747   1.0886  ?   ?       ?      ? 
1 1 1   -5   37   21 o   30.147   1.0370  882.250   60.585  829.260   82.978  942.752   88.666   29.180   1.4649   31.113   1.4681 -1.932573 2.073922 
1 1 1   -5   37   22 o   24.740   1.2449  599.635   59.609  554.909   85.157  642.604   83.468   23.826   1.8413   25.655   1.6761 -1.829252 2.489858 
1 1 1   -5   37   23 o   20.604   1.4270  417.004   56.869  461.694   81.031  373.627   79.832   21.703   1.9234   19.505   2.1085 2.198580 2.853962 
1 1 1   -5   37   24 o   17.300   1.7922  296.568   60.046  298.197   88.043  295.150   82.102   17.333   2.6168   17.267   2.4494 0.6503868E-01 3.584301 
1 1 1   -5   37   25 o   39.305   0.9273  1512.71   70.673  1570.30   99.104  1453.12  100.811   40.076   1.2739   38.535   1.3477 1.541035 1.854504 
1 1 1   -5   37   26 o   14.368   2.4456  222.571   66.674  220.120  103.988  224.283   86.882   14.218   3.7236   14.518   3.1716 -0.2999525 4.891238 
1 1 1   -5   37   27 o   14.174   2.3283  212.760   62.611  256.773   95.628  179.736   82.833   15.451   3.2892   12.896   3.2963 2.555160 4.656651 
1 1 1   -5   37   28 o   23.759   1.5181  571.743   69.713  531.741  100.744  608.497   96.567   22.907   2.2656   24.611   2.0213 -1.703722 3.036201 
1 1 1   -5   37   29 o   19.579   2.1461  398.207   80.063  457.254  128.840  361.062  102.188   20.629   3.2175   18.529   2.8410 2.099245 4.292283 
1 1 1   -5   38    1 o  182.330   1.4216 32400.44  490.889 32721.57  630.300 31905.37  782.606  183.511   1.7694  181.150   2.2256 2.361053 2.843213 
1 1 1   -5   38    2 o  161.823   1.3459 25461.19  409.118 25496.87  517.264 25401.58  668.593  162.001   1.6449  161.645   2.1308 0.3555450 2.691782 
1 1 1   -5   38    3 o   44.880   2.3502  1727.57   63.757  1716.30   64.472  2227.07  429.161   42.046   0.7899   47.714   4.6335 -5.667976 4.700310 
1 1 1   -5   38    4 o  168.123   1.8954 28345.42  512.378 29041.49  583.962 26016.96  1068.05  172.878   1.7401  163.368   3.3679 9.510162 3.790895 
1 1 1   -5   38    5 o   20.038   3.3940  511.047   44.687  517.693   45.109  160.828  327.462   23.090   1.0064   16.986   6.7129 6.104261 6.787958 
1 1 1   -5   38    6 o   23.865   3.6213  464.216   46.089  460.731   46.446  688.206  372.332   21.782   1.0985   25.948   7.1589 -4.166012 7.242661 
1 1 1   -5   38    7 o   68.029   2.4072  5072.69  128.909  5131.72  132.207  3933.54  580.791   72.700   0.9368   63.358   4.7223 9.341278 4.814303 
1 1 1   -5   38    8 o   89.980   2.0758  8065.34  188.078  8096.06  195.508  7684.12  688.771   91.306   1.1031   88.655   4.0023 2.651222 4.151513 
1 1 1   -5   38    9 o   15.069   1.1314  226.706   31.968  249.766   41.577  193.356   50.000   16.035   1.3357   14.103   1.8264 1.931802 2.262733 
1 1 1   -5   38   10 o   43.961   0.6226  1891.57   51.570  1942.16   65.947  1811.94   82.740   44.726   0.7596   43.197   0.9867 1.529713 1.245227 
1 1 1   -5   38   11 f   41.907   0.7876  1702.18   62.567  1722.06  100.176  1689.46   80.116   42.104   1.2257   41.710   0.9895 0.3941612 1.575249 
1 1 1   -5   38   12 o   18.945   0.9475  350.415   33.997  356.695   43.750  340.841   54.014   19.162   1.1762   18.727   1.4859 0.4353924 1.895026 
1 1 1   -5   38   13 o   22.081   0.9446  474.053   40.333  421.665   56.404  528.868   57.696   20.830   1.3949   23.331   1.2739 -2.500513 1.889103 
1 1 1   -5   38   14 o   92.677   1.1230  8304.03  200.277  8693.66  306.867  8014.91  264.338   94.552   1.6719   90.803   1.4997 3.749084 2.245958 
1 1 1   -5   38   15 f   74.881   0.9797  5445.50  141.939  5505.35  209.912  5395.09  192.661   75.256   1.4369   74.506   1.3321 0.7493134 1.959391 
1 1 1   -5   38   16 o   60.092   0.8807  3502.21  102.467  3605.01  151.366  3415.25  139.216   60.902   1.2804   59.282   1.2098 1.620083 1.761493 
1 1 1   -5   38   17 f   68.800   0.9479  4597.43  126.416  4680.72  184.417  4523.60  173.629   69.385   1.3692   68.215   1.3112 1.169571 1.895799 
1 1 1   -5   38   18 o   35.457   0.9285  1211.27   63.299  1301.46   97.749  1146.15   83.067   36.579   1.3766   34.334   1.2464 2.245373 1.857005 
1 1 1   -5   38   19 o   38.484   0.9160  1448.70   68.014  1332.88   99.111  1551.79   93.505   37.017   1.3793   39.951   1.2057 -2.934807 1.831990 
1 1 1   -5   38   20 o   79.386   0.9405  6156.47  140.239  6232.08  177.804  6032.00  228.127   80.059   1.1441   78.714   1.4930 1.345139 1.880967 
1 1 1   -5   38   21 o   19.271   1.5569  364.063   58.161  372.431   80.760  355.047   83.828   19.506   2.1328   19.035   2.2687 0.4711685 3.113815 
1 1 1   -5   38   22 o   9.1440   2.3642   67.759   54.810   78.929   78.788   57.284   76.296   9.5271   3.3880   8.7609   3.2982 0.7662086 4.728308 
1 1 1   -5   38   23 o   10.629   2.3443  111.825   55.564   69.512   81.204  149.078   76.193   9.2573   3.4188   12.001   3.2086 -2.743985 4.688633 
1 1 1   -5   38   24 o   45.579   0.8799  2031.26   77.699  2160.10  109.315  1899.71  110.459   47.052   1.1968   44.107   1.2901 2.945744 1.759780 
1 1 1   -5   38   25 o   8.9765   2.3735   55.347   58.211  108.655   85.432   9.1485   79.531   10.490   3.5383   7.4633   3.1645 3.026492 4.746944 
1 1 1   -5   38   26 o   10.444   2.3010  103.326   60.020   3.7118   88.837  186.981   81.410   7.6732   3.3013   13.216   3.2061 -5.542429 4.601926 
1 1 1   -5   38   27 o   25.572   1.5610  669.618   73.840  615.800  121.707  700.965   92.888   24.594   2.5493   26.551   1.8022 -1.957352 3.122049 
1 1 1   -5   38   28 o   37.720   1.0448  1408.05   76.476  1463.44  109.044  1354.43  107.284   38.458   1.4606   36.982   1.4944 1.476517 2.089701 
1 1 1   -5   38   29 o   11.319   2.5615   64.264   74.860  311.220  130.155 -57.8173   91.512   16.128   4.1371   6.5095   3.0216 9.618815 5.123070 
1 1 1   -5   39    1 o   55.941   0.7446  3080.28   75.518  3158.95   92.285  2920.82  131.387   57.042   0.8334   54.840   1.2342 2.201359 1.489252 
1 1 1   -5   39    2 o  103.451   1.0332 10447.06  197.705 10566.00  245.637 10228.28  333.142  104.305   1.2132  102.597   1.6727 1.708458 2.066366 
1 1 1   -5   39    3 o   93.543   1.9352  8715.18  199.764  8758.52  209.545  8283.12  661.580   94.969   1.1367   92.117   3.6998 2.851265 3.870443 
1 1 1   -5   39    4 o   26.598   3.5782  486.310   46.665  479.925   46.961  986.954  415.834   22.231   1.0882   30.965   7.0731 -8.733978 7.156301 
1 1 1   -5   39    5 o  140.171   1.8168 19547.22  380.438 19795.57  421.759 18462.85  881.293  142.742   1.5221  137.601   3.2994 5.141052 3.633574 
1 1 1   -5   39    6 o   39.738   3.0711  1710.35   61.142  1716.74   61.733  1381.79  442.812   42.051   0.7563   37.424   6.0954 4.627106 6.142127 
1 1 1   -5   39    7 o   76.769   2.2838  6121.43  152.190  6168.45  156.709  5341.14  638.367   79.701   1.0129   73.837   4.4538 5.864456 4.567540 
1 1 1   -5   39    8 o   24.921   3.7364  1034.31   48.431  1046.53   48.696 -81.0450  465.187   32.832   0.7641   17.010   7.4337 15.82160 7.472899 
1 1 1   -5   39    9 o   42.496   0.6270  1730.67   50.074  1666.45   62.796  1842.81   82.980   41.430   0.7808   43.563   0.9813 -2.133255 1.254026 
1 1 1   -5   39   10 o   94.298   0.9686  8622.28  168.928  8582.30  208.994  8697.64  286.908   93.999   1.1454   94.598   1.5624 -0.5990295 1.937277 
1 1 1   -5   39   11 o   33.161   0.6586  1046.25   41.468  971.351   52.626  1168.92   67.352   31.628   0.8572   34.693   1.0001 -3.064945 1.317167 
1 1 1   -5   39   12 o   19.824   0.9282  375.806   35.384  314.020   47.041  456.320   53.699   17.977   1.3480   21.672   1.2765 -3.694973 1.856473 
1 1 1   -5   39   13 o   39.535   0.7221  1517.96   55.403  1524.36   79.201  1511.83   77.530   39.616   1.0299   39.453   1.0123 0.1625671 1.444122 
1 1 1   -5   39   14 o   49.923   0.7850  2421.87   76.053  2379.95  108.288  2462.68  106.837   49.495   1.1271   50.350   1.0931 -0.8543320 1.570077 
1 1 1   -5   39   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   39   16 o  102.220   1.2876 10173.56  255.479 10073.58  361.561 10273.25  361.044  101.717   1.8311  102.724   1.8106 -1.006714 2.575150 
1 1 1   -5   39   17 o   42.207   0.8500  1720.80   69.072  1813.31  105.698  1651.85   91.253   43.188   1.2608   41.227   1.1403 1.961544 1.699913 
1 1 1   -5   39   18 o   28.773   1.0947  797.952   59.982  844.561   95.673  767.768   76.992   29.452   1.6734   28.094   1.4118 1.358328 2.189382 
1 1 1   -5   39   19 o   43.919   0.9038  1868.87   76.521  1935.06  116.063  1817.98  101.772   44.600   1.3406   43.239   1.2125 1.361439 1.807598 
1 1 1   -5   39   20 o   50.122   0.8170  2440.67   78.363  2426.84  102.406  2460.20  121.725   49.960   1.0559   50.285   1.2470 -0.3246880 1.634050 
1 1 1   -5   39   21 o   31.910   0.9965  990.790   61.672  952.211   85.076  1033.51   89.529   31.258   1.4021   32.563   1.4163 -1.305748 1.992982 
1 1 1   -5   39   22 o   36.507   0.9067  1291.59   64.039  1209.86   86.345  1391.51   95.472   35.233   1.2625   37.781   1.3018 -2.547558 1.813409 
1 1 1   -5   39   23 o   45.254   0.8595  2002.78   75.263  2165.75  105.743  1835.45  107.146   47.136   1.1557   43.373   1.2726 3.762833 1.719043 
1 1 1   -5   39   24 o   33.093   1.0181  1069.91   65.165  948.321   89.996  1203.92   94.481   31.111   1.4902   35.076   1.3876 -3.964628 2.036223 
1 1 1   -5   39   25 o   18.538   1.6958  348.241   60.287  301.916   87.843  389.490   82.890   17.304   2.6151   19.772   2.1596 -2.467875 3.391550 
1 1 1   -5   39   26 o   31.480   1.0626  978.204   64.771  920.892   92.920  1032.37   90.336   30.561   1.5663   32.399   1.4364 -1.837196 2.125191 
1 1 1   -5   39   27 o   13.871   2.4172  214.807   66.155  152.888   95.482  271.971   91.743   11.827   3.7254   15.914   3.0811 -4.086885 4.834465 
1 1 1   -5   39   28 o   11.243   2.7726  137.268   74.183  112.800  121.043  151.987   93.880   10.809   4.1340   11.676   3.6958 -0.8666306 5.545186 
1 1 1   -5   39   29 o   15.108   2.5790  254.615   77.938  399.676  119.761  148.048  102.648   18.835   3.4006   11.381   3.8783 7.454102 5.158032 
1 1 1   -5   40    1 o   74.696   0.8649  5402.54  116.737  5374.42  141.112  5463.53  207.788   74.398   0.9771   74.994   1.4273 -0.5967102 1.729746 
1 1 1   -5   40    2 o   49.906   0.7752  2440.42   66.100  2465.06   77.180  2372.59  128.043   50.389   0.7890   49.423   1.3346 0.9665909 1.550435 
1 1 1   -5   40    3 o   60.723   2.1905  3713.64  100.248  3724.18  102.357  3465.61  496.467   61.934   0.8514   59.513   4.2975 2.421009 4.381006 
1 1 1   -5   40    4 o   52.890   2.4620  2658.61   78.724  2654.92   79.699  2806.51  504.713   52.293   0.7851   53.487   4.8610 -1.193935 4.924024 
1 1 1   -5   40    5 o   51.993   2.3419  2766.04   82.160  2775.02   83.549  2502.39  452.514   53.463   0.8051   50.523   4.6140 2.939812 4.683734 
1 1 1   -5   40    6 o   12.953   4.0056   11.571   45.189   8.2129   45.464  286.894  411.652   5.8810   2.4357   20.025   7.6320 -14.14367 8.011259 
1 1 1   -5   40    7 o   96.858   1.9444  9223.96  210.215  9243.09  220.624  9035.43  692.553   97.554   1.1650   96.161   3.7101 1.393341 3.888747 
1 1 1   -5   40    8 o   53.004   2.7172  3189.77   93.083  3220.83   94.709  2308.56  504.476   57.595   0.8471   48.413   5.3680 9.182281 5.434455 
1 1 1   -5   40    9 o   58.852   0.7000  3351.95   76.639  3323.21   95.390  3404.28  128.717   58.502   0.8400   59.202   1.1200 -0.6998711 1.400020 
1 1 1   -5   40   10 o   92.164   0.9598  8327.20  165.176  8533.87  208.384  7977.85  270.928   93.731   1.1453   90.597   1.5406 3.134132 1.919637 
1 1 1   -5   40   11 o   36.512   0.8353  1305.63   56.974  1255.37   93.444  1335.37   71.881   35.944   1.3393   37.081   0.9986 -1.136768 1.670584 
1 1 1   -5   40   12 o   14.287   1.3064  198.115   35.882  195.466   47.412  201.665   54.895   14.177   1.7228   14.396   1.9644 -0.2187834 2.612808 
1 1 1   -5   40   13 o   41.599   0.7320  1681.09   59.091  1670.54   84.415  1691.23   82.744   41.470   1.0486   41.727   1.0215 -0.2569237 1.463932 
1 1 1   -5   40   14 o   93.971   1.1827  8589.52  215.739  8612.76  305.879  8566.53  304.329   94.097   1.6746   93.845   1.6706 0.2523956 2.365392 
1 1 1   -5   40   15 o   18.013   1.4340  331.688   47.445  257.172   75.184  381.000   61.161   16.235   2.3856   19.790   1.5921 -3.554340 2.868070 
1 1 1   -5   40   16 o   63.153   0.9152  3877.77  111.949  3866.43  163.643  3887.74  153.484   63.063   1.3368   63.243   1.2502 -0.1801414 1.830304 
1 1 1   -5   40   17 o   39.694   0.8993  1537.05   68.394  1500.20  104.873  1564.32   90.220   39.273   1.3756   40.116   1.1586 -0.8430099 1.798521 
1 1 1   -5   40   18 o   64.737   0.9423  4079.14  118.219  4023.28  171.549  4129.67  163.142   64.311   1.3742   65.164   1.2897 -0.8534470 1.884594 
1 1 1   -5   40   19 o   59.137   0.9258  3379.58  105.536  3587.50  160.803  3222.26  139.877   60.718   1.3643   57.556   1.2520 3.161900 1.851699 
1 1 1   -5   40   20 o   19.264   1.6204  366.589   59.443  348.015   92.237  379.784   77.739   18.824   2.5243   19.705   2.0324 -0.8813934 3.240767 
1 1 1   -5   40   21 o   41.456   0.8322  1673.62   66.962  1703.42   94.507  1643.57   94.892   41.828   1.1639   41.084   1.1899 0.7442589 1.664492 
1 1 1   -5   40   22 o   44.326   0.8437  1913.93   72.446  1898.58   99.133  1931.51  106.133   44.141   1.1569   44.511   1.2283 -0.3699837 1.687383 
1 1 1   -5   40   23 o   9.5387   2.3520   78.721   56.319   30.339   82.315  121.302   77.223   8.1569   3.3166   10.920   3.3358 -2.763436 4.704011 
1 1 1   -5   40   24 o   15.920   1.9158  255.592   57.447  308.198   85.870  212.971   77.291   17.548   2.5208   14.291   2.8855 3.256833 3.831536 
1 1 1   -5   40   25 o   16.490   1.9442  281.271   60.481  255.480   86.995  305.398   84.143   15.574   2.9863   17.406   2.4902 -1.832568 3.888333 
1 1 1   -5   40   26 o   6.5907   2.1096 -33.6329   57.326 -52.3766   90.625 -21.1299   74.017   6.6888   3.0693   6.4925   2.8951 0.1963124 4.219268 
1 1 1   -5   40   27 o   8.4651   2.4571   34.365   66.206   72.178   93.158  -4.2225   94.109   9.3228   3.6107   7.6075   3.3336 1.715269 4.914210 
1 1 1   -5   40   28 o   8.4382   2.5097   6.5142   73.793   95.995  109.673 -67.5074   99.750   10.150   3.9213   6.7268   3.1332 3.422690 5.019318 
1 1 1   -5   41    1 o   64.242   0.7886  3965.37   91.128  3896.66  109.414  4120.97  164.649   63.350   0.8897   65.134   1.3022 -1.783718 1.577165 
1 1 1   -5   41    2 o   85.995   0.9193  7185.00  145.181  7188.23  178.462  7178.67  249.645   86.035   1.0686   85.955   1.4962 0.7998657E-01 1.838604 
1 1 1   -5   41    3 o   75.254   2.1240  5825.63  144.539  5867.61  149.187  5183.21  583.618   77.734   0.9887   72.775   4.1313 4.958923 4.247920 
1 1 1   -5   41    4 o   16.347   3.4551  297.711   46.766  304.105   47.060 -209.8982  419.310   17.693   1.3702   15.001   6.7729 2.692032 6.910115 
1 1 1   -5   41    5 o   66.015   2.3925  4748.13  125.062  4800.82  128.278  3736.61  562.071   70.315   0.9398   61.716   4.6917 8.599152 4.784918 
1 1 1   -5   41    6 o   79.073   2.1454  6320.72  154.661  6351.67  159.621  5845.87  625.277   80.875   1.0167   77.271   4.1686 3.603424 4.290786 
1 1 1   -5   41    7 o   38.294   4.4757  1493.37  317.958  1381.08  490.040  1575.02  417.858   36.623   7.1496   39.965   5.3862 -3.342163 8.951377 
1 1 1   -5   41    8 o  114.015   1.9871 12930.29  281.373 13008.89  299.747 12347.53  816.194  115.710   1.3345  112.319   3.7435 3.390602 3.974219 
1 1 1   -5   41    9 o   45.930   0.6528  2035.28   56.147  1999.20   70.342  2098.62   93.207   45.376   0.7986   46.484   1.0329 -1.108456 1.305642 
1 1 1   -5   41   10 f   83.524   0.8955  6756.49  139.016  6704.19  172.871  6852.23  233.872   83.080   1.0719   83.969   1.4348 -0.8882370 1.791006 
1 1 1   -5   41   11 o   52.604   0.6917  2694.33   68.400  2715.10   86.711  2660.11  111.291   52.878   0.8448   52.331   1.0956 0.5466652 1.383427 
1 1 1   -5   41   12 o   58.515   0.7191  3322.78   79.063  3313.88   99.903  3337.69  129.335   58.416   0.8810   58.615   1.1367 -0.1986961 1.438149 
1 1 1   -5   41   13 o   26.260   0.9103  673.165   46.191  619.459   66.650  722.801   64.075   25.245   1.3600   27.274   1.2103 -2.028637 1.820557 
1 1 1   -5   41   14 o   21.675   1.0904  459.254   45.569  433.514   67.331  481.009   61.900   21.109   1.6432   22.242   1.4337 -1.132624 2.180731 
1 1 1   -5   41   15 o   28.303   0.9612  778.099   52.761  827.367   75.784  731.756   73.500   29.172   1.3382   27.434   1.3802 1.738750 1.922453 
1 1 1   -5   41   16 o  110.475   1.3883 11887.32  297.552 12149.98  429.719 11645.38  412.418  111.642   1.9829  109.308   1.9437 2.333603 2.776611 
1 1 1   -5   41   17 o   25.526   1.1861  614.408   57.830  779.505   91.407  504.221   74.675   28.295   1.6642   22.756   1.6905 5.539400 2.372206 
1 1 1   -5   41   18 o   49.632   0.8811  2388.99   84.492  2463.02  126.524  2329.41  113.512   50.320   1.2953   48.944   1.1947 1.375896 1.762143 
1 1 1   -5   41   19 o   13.201   2.2357  163.022   56.748  263.533   93.460  104.326   71.420   16.090   3.1048   10.312   3.2178 5.777436 4.471447 
1 1 1   -5   41   20 o   11.393   2.3912  124.353   56.496  170.006   89.480   94.091   72.853   12.857   3.4940   9.9297   3.2654 2.927451 4.782348 
1 1 1   -5   41   21 o   35.124   0.8899  1200.07   60.612  1153.60   83.425  1252.03   88.212   34.406   1.2491   35.841   1.2679 -1.435516 1.779836 
1 1 1   -5   41   22 o   11.398   2.3544  132.365   55.561  152.840   80.571  113.802   76.719   12.138   3.3226   10.658   3.3365 1.479841 4.708708 
1 1 1   -5   41   23 o   20.879   1.4314  432.820   57.639  397.017   83.965  464.728   79.266   20.033   2.1591   21.724   1.8797 -1.690781 2.862704 
1 1 1   -5   41   24 o   12.579   2.2720  172.824   55.914  134.876   88.191  198.330   72.303   11.381   3.5796   13.777   2.7990 -2.395906 4.544049 
1 1 1   -5   41   25 o   32.521   1.0631  1040.64   66.984  1131.37   96.005  954.588   93.502   33.915   1.4583   31.127   1.5474 2.788086 2.126292 
1 1 1   -5   41   26 o   8.8696   2.3467   57.508   60.050 -20.9662   92.103  115.532   79.198   7.2556   3.2328   10.484   3.4026 -3.227960 4.693471 
1 1 1   -5   41   27 o   21.830   1.6363  490.700   68.241  579.984   95.829  398.839   97.202   23.975   2.0591   19.685   2.5437 4.289721 3.272637 
1 1 1   -5   41   28 o   14.997   2.6768  248.341   76.566  340.437  126.320  194.856   96.266   17.032   3.9041   12.963   3.6634 4.069897 5.353692 
1 1 1   -5   42    1 o   90.302   0.9725  7961.06  160.548  8039.69  196.930  7805.21  277.234   90.985   1.1150   89.620   1.5936 1.365211 1.944942 
1 1 1   -5   42    2 o   19.590   1.3462  373.328   43.063  373.469   49.073  372.854   89.805   19.608   1.2893   19.573   2.3637 0.3514671E-01 2.692412 
1 1 1   -5   42    3 o   24.232   3.7035  881.875   53.641  895.166   54.121  142.819  403.567   30.363   0.9182   18.102   7.3499 12.26111 7.407058 
1 1 1   -5   42    4 f   74.952   2.3731  6221.53  155.640  6322.85  160.744  4701.57  622.594   80.690   1.0262   69.214   4.6339 11.47568 4.746146 
1 1 1   -5   42    5 o   52.888   2.6928  2792.67   84.129  2795.54   85.175  2677.92  538.542   53.658   0.8177   52.118   5.3231 1.539501 5.385518 
1 1 1   -5   42    6 o   27.018   3.8240  900.463   53.240  907.130   53.731  540.634  394.735   30.564   0.9056   23.472   7.5942 7.091885 7.648005 
1 1 1   -5   42    7 o  106.258   2.0934 11517.76  263.615 11656.91  279.439 10392.46  794.665  109.533   1.3142  102.983   3.9751 6.550316 4.186770 
1 1 1   -5   42    8 o   64.184   2.4367  3938.55  109.718  3932.14  111.588  4124.90  601.787   63.634   0.9034   64.735   4.7889 -1.101383 4.873374 
1 1 1   -5   42    9 o   28.436   0.7065  783.701   38.828  768.862   52.288  801.942   57.974   28.137   0.9573   28.735   1.0394 -0.5974293 1.413048 
1 1 1   -5   42   10 o   49.306   0.6705  2328.47   61.737  2246.77   76.762  2478.11  103.886   48.102   0.8221   50.510   1.0595 -2.408173 1.341057 
1 1 1   -5   42   11 o   48.791   0.6775  2324.64   62.636  2372.35   80.735  2252.50   99.271   49.427   0.8415   48.155   1.0620 1.271919 1.354937 
1 1 1   -5   42   12 o   67.000   0.7987  4351.19   99.561  4326.30  124.016  4396.32  166.980   66.740   0.9572   67.260   1.2789 -0.5194168 1.597488 
1 1 1   -5   42   13 o   42.116   0.7035  1718.30   56.215  1700.94   72.057  1745.29   89.857   41.848   0.8870   42.383   1.0922 -0.5346756 1.406995 
1 1 1   -5   42   14 o  160.023   1.9602 25031.43  608.892 25162.31  863.856 24902.21  858.377  160.438   2.7738  159.608   2.7705 0.8300476 3.920377 
1 1 1   -5   42   15 o   8.0110   2.1432   41.433   47.488   4.5614   71.381   70.711   63.607   7.1307   3.0093   8.8912   3.0526 -1.760531 4.286474 
1 1 1   -5   42   16 o   55.368   0.8786  2981.09   94.065  2974.55  139.225  2986.59  127.590   55.308   1.2968   55.428   1.1858 -0.1202888 1.757219 
1 1 1   -5   42   17 o   8.5670   2.3015   51.761   52.370   34.638   84.628   62.387   66.668   8.4660   3.3908   8.6680   3.1129 -0.2019987 4.602993 
1 1 1   -5   42   18 o   27.327   1.1838  749.450   60.897  605.586   92.145  861.009   81.142   24.913   1.9054   29.741   1.4055 -4.828663 2.367685 
1 1 1   -5   42   19 o   54.797   0.9300  2922.73   98.660  2944.65  145.184  2903.92  134.482   54.982   1.3603   54.613   1.2685 0.3687935 1.859996 
1 1 1   -5   42   20 o   22.588   1.3798  515.656   57.683  439.655   92.994  563.186   73.540   21.157   2.2644   24.018   1.5773 -2.861980 2.759569 
1 1 1   -5   42   21 o   33.520   0.9352  1095.87   60.830  1056.06   85.322  1137.02   86.751   32.899   1.3360   34.141   1.3090 -1.241425 1.870393 
1 1 1   -5   42   22 o   29.926   1.0620  876.322   61.677  900.926   87.240  851.735   87.208   30.349   1.4808   29.502   1.5228 0.8467045 2.124074 
1 1 1   -5   42   23 o   36.975   0.9114  1337.07   65.400  1294.03   91.573  1381.87   93.435   36.366   1.2972   37.584   1.2807 -1.217937 1.822864 
1 1 1   -5   42   24 o   7.1481   2.1263  -5.3549   55.253 -94.2811   87.456   53.720   71.281   5.9728   2.8290   8.3235   3.1750 -2.350645 4.252544 
1 1 1   -5   42   25 o   23.900   1.4010  575.501   64.137  479.284   91.907  666.841   89.547   21.871   2.1648   25.930   1.7790 -4.059067 2.802036 
1 1 1   -5   42   26 f   7.0568   2.2263 -20.4547   61.923 -35.3734   93.010  -8.5778   82.988   7.0172   3.1771   7.0965   3.1195 -0.7931042E-01 4.452555 
1 1 1   -5   42   27 o   8.9550   2.5043   60.173   65.546   30.110   93.898   88.745   91.539   8.2441   3.4638   9.6658   3.6178 -1.421763 5.008632 
1 1 1   -5   42   28 f   11.598   2.8532  143.772   76.221  206.410  128.730  109.958   94.583   13.009   4.3436   10.186   3.7008 2.822515 5.706363 
1 1 1   -5   43    1 o   91.344   0.9761  8106.50  164.189  8104.82  202.375  8109.75  280.850   91.346   1.1413   91.342   1.5839 0.3974915E-02 1.952286 
1 1 1   -5   43    2 o   71.105   2.2371  4953.34  129.898  4955.16  133.049  4916.32  600.429   71.432   0.9595   70.778   4.3701 0.6539536 4.474243 
1 1 1   -5   43    3 o   28.081   3.8423  780.008   55.188  779.617   55.662  802.661  423.518   28.333   1.0121   27.829   7.6176 0.5041618 7.684531 
1 1 1   -5   43    4 o   60.653   2.6254  3978.95  109.400  4007.98  111.450  3211.24  573.118   64.245   0.8937   57.061   5.1742 7.184410 5.250791 
1 1 1   -5   43    5 o   66.438   2.5517  4478.04  120.492  4490.52  122.744  4147.45  631.920   68.001   0.9299   64.874   5.0179 3.127022 5.103366 
1 1 1   -5   43    6 o   10.333   3.4862   6.1389   47.656   8.3281   48.054 -124.6256  371.390   6.0321   2.5017   14.635   6.5081 -8.602673 6.972357 
1 1 1   -5   43    7 o   63.069   2.7053  4150.18  114.703  4168.14  116.669  3630.56  627.507   65.515   0.9174   60.623   5.3323 4.892002 5.410674 
1 1 1   -5   43    8 o   80.543   2.2431  6763.38  166.915  6826.13  172.639  5863.75  653.677   83.832   1.0609   77.253   4.3590 6.579330 4.486201 
1 1 1   -5   43    9 o   43.258   4.2260  1921.05   70.820  1921.84   71.228  1852.65  662.320   44.488   0.8248   42.029   8.4117 2.459244 8.452079 
1 1 1   -5   43   10 o  144.835   1.4439 20422.94  394.475 20428.75  501.878 20413.55  638.073  144.913   1.7841  144.757   2.2707 0.1563416 2.887794 
1 1 1   -5   43   11 o   21.780   0.9598  451.017   39.998  404.946   51.532  520.838   63.438   20.413   1.3005   23.147   1.4118 -2.734730 1.919523 
1 1 1   -5   43   12 o   31.519   0.7544  950.446   45.108  899.956   57.307  1032.68   73.136   30.438   0.9699   32.600   1.1557 -2.161852 1.508754 
1 1 1   -5   43   13 o   73.707   0.8595  5313.04  117.923  5398.88  147.828  5162.85  195.542   74.546   1.0216   72.868   1.3824 1.677277 1.718916 
1 1 1   -5   43   14 o   47.393   0.9337  2139.26   82.522  2341.23  140.063  2031.87  102.131   49.061   1.4707   45.724   1.1507 3.337269 1.867326 
1 1 1   -5   43   15 o   46.436   0.8388  2094.35   75.403  2120.21  111.065  2072.24  102.698   46.699   1.2252   46.172   1.1458 0.5265007 1.677502 
1 1 1   -5   43   16 o  110.849   1.3910 11967.58  299.085 12322.56  433.297 11644.53  413.346  112.412   1.9857  109.285   1.9484 3.126907 2.781962 
1 1 1   -5   43   17 o   25.700   1.2061  652.270   58.681  600.985   91.832  687.662   76.287   24.822   1.9058   26.578   1.4786 -1.755762 2.412180 
1 1 1   -5   43   18 o   16.352   1.8947  260.771   58.353  306.104   91.152  229.290   75.959   17.650   2.6605   15.054   2.6984 2.595543 3.789433 
1 1 1   -5   43   19 o   45.006   0.9351  1979.35   81.181  1915.86  120.689  2031.81  109.709   44.334   1.4024   45.678   1.2373 -1.343433 1.870164 
1 1 1   -5   43   20 o   46.970   0.9165  2150.71   82.891  2152.68  125.453  2149.18  110.429   46.976   1.3757   46.964   1.2113 0.1165771E-01 1.833004 
1 1 1   -5   43   21 o   19.467   1.5001  381.653   55.309  299.911   80.678  454.137   75.972   17.419   2.3860   21.516   1.8190 -4.097418 3.000266 
1 1 1   -5   43   22 o   31.784   1.0102  989.447   62.283  965.937   89.099  1011.91   87.098   31.409   1.4614   32.160   1.3952 -0.7512264 2.020406 
1 1 1   -5   43   23 o   7.9470   2.2633   34.738   53.272   33.159   81.101   35.937   70.650   8.1021   3.2929   7.7919   3.1058 0.3102417 4.526529 
1 1 1   -5   43   24 o   8.5911   2.3587   54.480   56.016   43.941   87.213   61.881   73.083   8.5521   3.4362   8.6302   3.2321 -0.7810783E-01 4.717428 
1 1 1   -5   43   25 f   9.1649   2.4448   70.045   59.139   90.567   89.629   54.222   78.703   9.8319   3.5979   8.4978   3.3110 1.334006 4.889597 
1 1 1   -5   43   26 o   24.025   1.4631  581.792   68.113  586.488   99.444  577.643   93.484   24.091   2.1265   23.959   2.0100 0.1318474 2.926113 
1 1 1   -5   43   27 o   9.7725   2.7028   66.914   72.564  149.458  124.108   24.040   89.446   11.624   4.2368   7.9208   3.3570 3.703365 5.405584 
1 1 1   -5   44    1 o   42.699   0.8501  1796.12   60.592  1820.84   69.975  1722.06  121.140   43.304   0.8324   42.093   1.4825 1.210331 1.700257 
1 1 1   -5   44    2 o   33.579   5.7302  1185.75  370.325  1047.90  531.438  1315.88  516.327   31.618   8.4828   35.541   7.7060 -3.923660 11.46035 
1 1 1   -5   44    3 o   49.561   2.6870  2086.99   71.984  2075.02   72.619  2762.49  545.483   46.228   0.8092   52.893   5.3127 -6.664818 5.374017 
1 1 1   -5   44    4 o  101.384   2.1371 10702.05  247.405 10873.35  261.332  9222.22  768.114  105.790   1.2726   96.977   4.0803 8.813057 4.274125 
1 1 1   -5   44    5 o   24.280   4.4132  585.751   53.602  586.706   53.878  493.253  530.079   24.576   1.1293   23.983   8.7538 0.5934391 8.826390 
1 1 1   -5   44    6 o   33.727   4.1944  1321.31   61.068  1326.40   61.513  973.846  508.344   36.959   0.8574   30.495   8.3449 6.463484 8.388836 
1 1 1   -5   44    7 o   94.695   2.2523  9114.59  219.654  9181.11  229.014  8350.39  776.226   97.211   1.2136   92.179   4.3380 5.032532 4.504582 
1 1 1   -5   44    8 o   35.689   3.7773  1101.06   60.522  1095.99   60.919  1485.26  530.452   33.593   0.9342   37.785   7.4967 -4.191593 7.554679 
1 1 1   -5   44    9 o   41.051   5.3222  2239.75   78.733  2250.33   79.141  1221.10  776.339   48.138   0.8469   33.963   10.611 14.17513 10.64443 
1 1 1   -5   44   10 o   62.381   0.7697  3775.03   89.028  3762.44  110.507  3798.31  150.282   62.241   0.9146   62.520   1.2383 -0.2791328 1.539454 
1 1 1   -5   44   11 o   16.784   1.2857  289.311   39.492  337.992   51.081  216.980   62.265   18.645   1.4113   14.922   2.1496 3.722957 2.571472 
1 1 1   -5   44   12 o   54.725   0.7286  2919.03   75.255  2950.66   96.082  2868.83  121.041   55.116   0.8980   54.333   1.1476 0.7825584 1.457232 
1 1 1   -5   44   13 o   27.283   0.9012  736.722   46.443  790.310   60.496  659.810   72.475   28.519   1.0928   26.047   1.4334 2.471579 1.802436 
1 1 1   -5   44   14 o   63.377   0.7930  3890.17   93.128  3857.83  115.379  3950.63  157.753   63.014   0.9432   63.741   1.2750 -0.7268715 1.585950 
1 1 1   -5   44   15 o   93.758   1.1951  8554.80  217.446  8780.71  312.342  8342.33  302.905   94.957   1.6945   92.558   1.6859 2.399216 2.390279 
1 1 1   -5   44   16 o   32.345   0.9808  1004.38   61.171  1158.29   92.932  886.707   81.257   34.502   1.3876   30.188   1.3867 4.314589 1.961675 
1 1 1   -5   44   17 o   60.304   0.9317  3544.25  108.894  3433.65  156.983  3646.83  151.181   59.391   1.3617   61.218   1.2722 -1.827389 1.863491 
1 1 1   -5   44   18 o   22.837   1.3897  512.831   60.319  496.727   94.709  523.822   78.240   22.514   2.1670   23.159   1.7403 -0.6452236 2.779369 
1 1 1   -5   44   19 o   34.935   1.0465  1214.77   69.348  1049.91  105.434  1340.48   92.065   32.780   1.6569   37.089   1.2787 -4.309307 2.092997 
1 1 1   -5   44   20 o   48.909   0.9250  2318.08   86.932  2440.59  134.189  2229.47  114.117   50.001   1.3825   47.818   1.2294 2.182724 1.850087 
1 1 1   -5   44   21 o   40.970   0.8558  1638.36   68.024  1698.66   96.190  1578.04   96.210   41.729   1.1875   40.212   1.2325 1.516678 1.711518 
1 1 1   -5   44   22 o   35.859   0.9356  1259.03   65.081  1314.93   92.245  1203.62   91.834   36.658   1.2963   35.060   1.3493 1.597668 1.871134 
1 1 1   -5   44   23 o   19.518   1.5267  395.128   55.151  317.721   86.708  447.721   71.472   17.752   2.5162   21.284   1.7299 -3.531425 3.053478 
1 1 1   -5   44   24 o   16.981   1.8353  292.410   60.449  300.044   87.580  285.465   83.539   17.183   2.6256   16.778   2.5650 0.4054642 3.670541 
1 1 1   -5   44   25 o   18.762   1.7026  356.613   61.501  370.804   93.828  345.924   81.434   19.040   2.5387   18.485   2.2695 0.5547237 3.405176 
1 1 1   -5   44   26 o   10.848   2.5131  128.950   62.092   97.586   94.938  152.395   82.082   9.9934   3.6954   11.703   3.4068 -1.709530 5.026127 
1 1 1   -5   44   27 o   15.856   2.4641  264.200   72.446  407.026  122.424  187.232   89.871   18.977   3.4505   12.735   3.5186 6.241053 4.928124 
1 1 1   -5   45    1 o   44.826   0.8038  1941.56   62.506  1929.08   73.328  1974.75  119.547   44.572   0.8475   45.080   1.3661 -0.5080910 1.607665 
1 1 1   -5   45    2 o   34.447   4.3781  1393.53   62.864  1398.79   63.286  1002.77  545.656   37.954   0.8590   30.941   8.7139 7.012657 8.756109 
1 1 1   -5   45    3 o   97.963   2.3351  9841.54  231.796  9925.84  241.413  8846.26  829.493  101.077   1.2304   94.849   4.5052 6.228142 4.670191 
1 1 1   -5   45    4 o   14.221   4.2092   79.745   48.832   78.944   49.084  157.195  482.674   8.9365   2.6439   19.506   7.9924 -10.56942 8.418386 
1 1 1   -5   45    5 o   54.545   2.9700  2612.79   82.421  2602.31   83.082  3263.33  654.538   51.768   0.8268   57.322   5.8823 -5.554359 5.940086 
1 1 1   -5   45    6 o  115.497   2.2337 13881.19  309.552 14130.61  329.238 11980.61  908.843  120.577   1.4066  110.417   4.2402 10.16041 4.467441 
1 1 1   -5   45    7 o   9.3730   3.4962 -76.1279   47.252 -73.5867   47.537 -285.7589  431.761   4.1362   1.9929   14.610   6.7024 -10.47363 6.992392 
1 1 1   -5   45    8 o   45.378   5.1960  2257.99   80.390  2260.67   80.755  1962.93  846.671   48.248   0.8622   42.508   10.356 5.739986 10.39196 
1 1 1   -5   45    9 o   85.072   1.1182  7031.42  184.668  7031.42  184.668   0.0000   0.0000   85.072   1.1182  ?   ?       ?      ? 
1 1 1   -5   45   10 o   70.977   0.8350  4928.27  110.503  5016.30  138.882  4776.40  182.426   71.859   0.9956   70.095   1.3407 1.764282 1.669961 
1 1 1   -5   45   11 o   23.259   0.9607  531.097   42.678  558.797   56.451  494.142   65.203   23.978   1.2128   22.540   1.4902 1.437689 1.921359 
1 1 1   -5   45   12 o   49.513   0.7033  2363.96   64.310  2325.12   79.211  2439.07  110.150   48.928   0.8340   50.099   1.1327 -1.170448 1.406571 
1 1 1   -5   45   13 o   26.791   0.8950  692.102   46.296  644.585   61.701  753.324   70.035   25.748   1.2345   27.833   1.2962 -2.084764 1.790008 
1 1 1   -5   45   14 o   52.219   0.7432  2635.98   73.036  2594.11   92.215  2706.46  119.633   51.674   0.9193   52.765   1.1680 -1.091595 1.486390 
1 1 1   -5   45   15 o   42.201   0.8470  1730.05   69.342  1815.67   99.653  1649.68   96.550   43.213   1.1880   41.189   1.2076 2.023804 1.693976 
1 1 1   -5   45   16 o   26.390   1.1372  685.879   57.513  621.653   85.968  737.915   77.381   25.250   1.7539   27.530   1.4480 -2.280100 2.274406 
1 1 1   -5   45   17 o   21.917   1.4670  473.310   61.173  453.008   95.429  487.472   79.704   21.496   2.2870   22.338   1.8381 -0.8422642 2.934081 
1 1 1   -5   45   18 o   29.822   1.1448  884.937   64.437  787.742  100.507  952.768   83.963   28.381   1.8243   31.263   1.3835 -2.881680 2.289608 
1 1 1   -5   45   19 o   29.877   1.1320  851.621   63.578  955.208  106.251  793.844   79.352   31.237   1.7523   28.517   1.4335 2.720093 2.263904 
1 1 1   -5   45   20 o   8.5729   2.2942   46.271   57.429 -41.4608   95.278   96.334   71.973   7.2096   3.2443   9.9363   3.2446 -2.726720 4.588322 
1 1 1   -5   45   21 o   35.570   0.9245  1237.07   63.826  1213.71   90.162  1260.53   90.366   35.232   1.3183   35.909   1.2964 -0.6773643 1.848941 
1 1 1   -5   45   22 o   8.9271   2.3426   65.599   55.120   37.208   81.498   89.534   74.831   8.2201   3.3150   9.6341   3.3108 -1.413988 4.685160 
1 1 1   -5   45   23 o   19.509   1.5162  372.781   56.855  437.605   88.119  326.550   74.417   20.928   2.1691   18.090   2.1192 2.837730 3.032476 
1 1 1   -5   45   24 o   8.4746   2.3756   46.548   58.367   70.634   86.523   26.433   79.068   9.1848   3.4993   7.7644   3.2137 1.420403 4.751111 
1 1 1   -5   45   25 f   23.028   1.4758  553.441   63.409  436.823   96.734  641.301   83.964   20.681   2.4095   25.375   1.7046 -4.693874 2.951517 
1 1 1   -5   45   26 o   16.948   2.2636  294.357   68.171  392.806  121.724  249.367   82.286   18.736   3.4747   15.160   2.9019 3.576559 4.527125 
1 1 1   -5   46    1 o   30.172   1.0231  904.344   50.021  920.935   57.085  849.481  103.807   30.794   0.9550   29.551   1.8096 1.242662 2.046161 
1 1 1   -5   46    2 o   67.174   2.7041  4784.75  128.379  4813.73  130.873  4046.21  660.716   70.402   0.9576   63.946   5.3228 6.456219 5.408217 
1 1 1   -5   46    3 o  104.710   2.1752 10904.37  249.914 10946.40  261.948 10478.22  834.137  106.139   1.2714  103.282   4.1605 2.857086 4.350457 
1 1 1   -5   46    4 o   38.450   4.5855  1958.89   73.505  1972.75   74.075  1069.29  593.627   45.072   0.8466   31.828   9.1319 13.24403 9.171100 
1 1 1   -5   46    5 o   25.379   4.7334  470.091   49.796  467.538   49.967  842.491  603.394   21.937   1.1734   28.820   9.3937 -6.883606 9.466707 
1 1 1   -5   46    6 o   31.062   4.7168  1292.08   64.032  1300.10   64.386  569.058  611.521   36.588   0.9066   25.536   9.3899 11.05219 9.433536 
1 1 1   -5   46    7 o   18.861   4.1027  386.782   55.528  392.875   55.747 -383.1968  626.701   20.103   1.4285   17.619   8.0800 2.483978 8.205317 
1 1 1   -5   46    8 o   34.811   0.9487  1177.03   64.106  1177.03   64.106   0.0000   0.0000   34.811   0.9487  ?   ?       ?      ? 
1 1 1   -5   46    9 o   62.546   0.9232  3799.87  112.089  3799.87  112.089   0.0000   0.0000   62.546   0.9232  ?   ?       ?      ? 
1 1 1   -5   46   10 o   36.948   0.7253  1329.50   51.006  1342.89   66.122  1309.83   80.152   37.182   0.9161   36.714   1.1246 0.4677925 1.450544 
1 1 1   -5   46   11 o   51.067   0.7350  2522.25   70.337  2490.05   88.319  2578.08  116.302   50.631   0.8986   51.504   1.1633 -0.8734970 1.469937 
1 1 1   -5   46   12 o   50.402   0.7292  2472.85   69.484  2487.46   88.863  2449.86  111.465   50.601   0.9047   50.203   1.1438 0.3978004 1.458313 
1 1 1   -5   46   13 o   41.818   0.7267  1698.67   57.266  1696.44   72.703  1702.30   92.950   41.788   0.8962   41.849   1.1442 -0.6018066E-01 1.453428 
1 1 1   -5   46   14 o   67.943   0.8313  4502.43  105.437  4540.80  132.405  4435.93  174.312   68.356   0.9978   67.529   1.3297 0.8266602 1.662505 
1 1 1   -5   46   15 o   46.649   0.7394  2073.05   63.479  1987.76   77.477  2247.24  110.722   45.230   0.8824   48.069   1.1866 -2.839874 1.478748 
1 1 1   -5   46   16 o   47.393   0.8699  2180.62   79.885  2271.08  117.374  2102.56  109.035   48.304   1.2518   46.482   1.2084 1.822166 1.739891 
1 1 1   -5   46   17 o   19.082   1.6185  365.539   57.799  323.154   91.881  393.294   74.353   18.113   2.6131   20.051   1.9103 -1.937494 3.236952 
1 1 1   -5   46   18 o   43.910   0.9252  1860.26   77.873  1999.22  121.751  1764.05  101.304   45.272   1.3854   42.549   1.2265 2.723091 1.850325 
1 1 1   -5   46   19 o   12.512   2.3466  147.662   56.924  227.715   96.727  105.248   70.407   14.765   3.4388   10.259   3.1938 4.506264 4.693199 
1 1 1   -5   46   20 f   38.347   0.9851  1449.61   72.129  1365.46  110.721  1511.65   95.070   37.344   1.5274   39.350   1.2446 -2.005924 1.970275 
1 1 1   -5   46   21 o   64.709   0.8772  4091.75  108.403  4075.57  141.088  4115.07  169.367   64.597   1.1252   64.821   1.3460 -0.2247009 1.754341 
1 1 1   -5   46   22 o   18.294   1.6184  333.451   57.275  358.139   85.429  313.294   77.193   18.895   2.3291   17.692   2.2476 1.202829 3.236743 
1 1 1   -5   46   23 o   7.1466   2.0918 -16.9838   55.708 -130.2951   84.385   70.547   74.166   5.3814   2.6080   8.9118   3.2711 -3.530361 4.183532 
1 1 1   -5   46   24 o   7.9317   2.2900   23.290   57.006   72.102   86.386 -14.3640   75.872   9.1833   3.4971   6.6801   2.9575 2.503250 4.579999 
1 1 1   -5   46   25 o   14.877   2.2145  238.463   61.657  282.171   93.668  205.044   81.904   16.100   3.1097   13.654   3.1538 2.446279 4.429058 
1 1 1   -5   46   26 o   9.8673   2.4731   96.960   68.362 -30.9852  117.627  162.218   84.005   7.8214   3.5537   11.913   3.4403 -4.091738 4.946140 
1 1 1   -5   47    1 o   41.122   0.7674  1614.48   56.802  1569.47   68.079  1717.61  103.050   40.201   0.8724   42.042   1.2627 -1.841522 1.534740 
1 1 1   -5   47    2 o   23.717   4.2908  679.419   59.294  685.105   59.652  209.680  542.188   26.555   1.1572   20.879   8.5032 5.676182 8.581553 
1 1 1   -5   47    3 o   39.246   4.4069  1865.80   74.084  1875.36   74.677  1270.69  589.199   43.944   0.8754   34.547   8.7703 9.396542 8.813869 
1 1 1   -5   47    4 o   49.415   3.2332  2471.92   82.965  2474.46   83.766  2340.73  601.618   50.478   0.8549   48.353   6.4097 2.125240 6.466429 
1 1 1   -5   47    5 o   37.145   4.3271  1348.56   64.958  1347.27   65.333  1460.62  607.114   37.245   0.9037   37.044   8.6069 0.2009544 8.654246 
1 1 1   -5   47    6 o   65.137   4.0212  4422.26  124.732  4428.94  125.770  4023.04  972.617   67.525   0.9595   62.748   7.9850 4.777409 8.042488 
1 1 1   -5   47    7 o   26.841   1.0559  699.930   55.016  699.930   55.016   0.0000   0.0000   26.841   1.0559  ?   ?       ?      ? 
1 1 1   -5   47    8 o   45.431   0.8804  2004.75   77.642  2004.75   77.642   0.0000   0.0000   45.431   0.8804  ?   ?       ?      ? 
1 1 1   -5   47    9 o   30.677   1.0524  914.327   62.671  914.327   62.671   0.0000   0.0000   30.677   1.0524  ?   ?       ?      ? 
1 1 1   -5   47   10 o   26.179   1.2082  666.162   61.398  666.162   61.398   0.0000   0.0000   26.179   1.2082  ?   ?       ?      ? 
1 1 1   -5   47   11 o   49.956   0.7326  2370.61   67.868  2250.19   83.396  2606.76  116.784   48.128   0.8927   51.785   1.1618 -3.656837 1.465105 
1 1 1   -5   47   12 o   29.982   0.8471  864.341   48.385  826.963   62.097  922.102   77.193   29.170   1.0967   30.794   1.2914 -1.624187 1.694197 
1 1 1   -5   47   13 o   34.735   0.8048  1166.65   53.723  1130.55   70.647  1216.15   82.727   34.105   1.0671   35.366   1.2050 -1.260700 1.609618 
1 1 1   -5   47   14 o   12.856   1.9411  172.216   46.582  194.684   59.397  136.318   75.079   14.116   2.1676   11.595   3.2206 2.521040 3.882118 
1 1 1   -5   47   15 o   6.0071   1.8729 -34.2661   46.095   16.600   60.275 -105.9264   71.541   6.9005   2.8255   5.1137   2.4590 1.786788 3.745731 
1 1 1   -5   47   16 o   7.6806   2.2295   19.097   53.052   33.155   79.672   7.8985   71.110   8.1945   3.2872   7.1667   3.0129 1.027843 4.459038 
1 1 1   -5   47   17 o   37.917   0.9684  1394.36   70.553  1453.26  108.695  1351.47   92.746   38.595   1.4508   37.240   1.2830 1.355053 1.936735 
1 1 1   -5   47   18 o   21.465   1.4887  456.109   59.816  441.442   97.693  464.905   75.656   21.148   2.3798   21.782   1.7893 -0.6338654 2.977404 
1 1 1   -5   47   19 o   22.274   1.4258  496.690   59.253  455.827   96.005  521.833   75.307   21.473   2.3032   23.074   1.6813 -1.600332 2.851591 
1 1 1   -5   47   20 o   45.081   0.9306  1991.81   80.781  1957.48  121.677  2018.86  108.020   44.709   1.4020   45.453   1.2243 -0.7434349 1.861299 
1 1 1   -5   47   21 o   30.544   1.0327  916.812   61.193  953.970   86.554  879.679   86.525   31.170   1.4305   29.917   1.4899 1.252871 2.065463 
1 1 1   -5   47   22 o   26.684   1.1656  703.415   60.145  697.269   88.775  708.629   81.772   26.556   1.7221   26.813   1.5711 -0.2567253 2.331102 
1 1 1   -5   47   23 o   12.716   2.2230  174.771   53.983  174.453   84.201  174.993   70.342   12.639   3.3703   12.793   2.8996 -0.1540155 4.445937 
1 1 1   -5   47   24 o   22.587   1.4334  519.191   62.049  461.233   91.692  568.156   84.278   21.334   2.2141   23.841   1.8211 -2.507597 2.866802 
1 1 1   -5   47   25 o   9.2721   2.5797   71.886   68.706   27.394  115.041   96.555   85.661   8.7804   3.7666   9.7639   3.5258 -0.9835110 5.159326 
1 1 1   -5   48    1 o   16.801   4.3126  187.428   55.434  188.712   55.707   57.379  560.523   13.920   2.0616   19.682   8.3752 -5.762687 8.625216 
1 1 1   -5   48    2 o   63.482   2.9126  4055.86  117.734  4061.35  119.460  3869.92  695.032   64.663   0.9517   62.301   5.7470 2.361458 5.825267 
1 1 1   -5   48    3 o   18.649   4.5003  262.494   52.559  263.777   52.746   83.235  623.565   16.467   1.6502   20.831   8.8480 -4.364222 9.000607 
1 1 1   -5   48    4 o   15.876   4.6475   64.117   52.885   60.461   53.130  457.726  551.290   8.1961   2.7902   23.555   8.8662 -15.35923 9.294917 
1 1 1   -5   48    5 o   16.862   4.8456  122.615   52.145  121.810   52.307  252.698  664.637   10.955   2.5132   22.768   9.3597 -11.81383 9.691235 
1 1 1   -5   48    6 o   69.729   0.9896  4723.46  133.946  4723.46  133.946   0.0000   0.0000   69.729   0.9896  ?   ?       ?      ? 
1 1 1   -5   48    7 o   10.595   2.7157  113.867   56.112  113.867   56.112   0.0000   0.0000   10.595   2.7157  ?   ?       ?      ? 
1 1 1   -5   48    8 o   33.307   0.9705  1077.68   62.745  1077.68   62.745   0.0000   0.0000   33.307   0.9705  ?   ?       ?      ? 
1 1 1   -5   48    9 o   38.007   0.9049  1403.28   66.760  1403.28   66.760   0.0000   0.0000   38.007   0.9049  ?   ?       ?      ? 
1 1 1   -5   48   10 o   45.581   0.8744  2018.23   77.366  2018.23   77.366   0.0000   0.0000   45.581   0.8744  ?   ?       ?      ? 
1 1 1   -5   48   11 o   54.559   0.7535  2926.43   77.517  3045.51   99.662  2744.06  123.332   55.989   0.9170   53.128   1.1959 2.861004 1.506976 
1 1 1   -5   48   12 o   36.506   0.7842  1284.88   54.705  1238.30   70.768  1354.03   86.232   35.695   1.0213   37.317   1.1904 -1.621971 1.568491 
1 1 1   -5   48   13 o   76.278   0.8972  5661.91  126.533  5666.48  156.719  5653.35  214.452   76.348   1.0574   76.208   1.4497 0.1407928 1.794351 
1 1 1   -5   48   14 o   48.453   0.7682  2275.73   70.049  2253.17   88.579  2313.38  114.448   48.145   0.9478   48.760   1.2091 -0.6156998 1.536333 
1 1 1   -5   48   15 o   58.953   0.7887  3379.24   86.145  3372.98  106.875  3390.85  145.547   58.898   0.9348   59.008   1.2706 -0.1107483 1.577454 
1 1 1   -5   48   16 o   17.836   1.5827  312.253   54.679  340.840   78.444  285.237   76.258   18.636   2.1684   17.036   2.3060 1.599995 3.165367 
1 1 1   -5   48   17 o   44.022   0.9215  1875.19   78.284  2023.03  118.775  1761.64  104.093   45.537   1.3437   42.507   1.2615 3.030609 1.843083 
1 1 1   -5   48   18 o   42.615   0.9634  1766.13   78.539  1816.15  122.657  1731.37  102.250   43.104   1.4659   42.127   1.2504 0.9775543 1.926737 
1 1 1   -5   48   19 o   27.350   1.2294  728.601   63.977  766.866  102.163  703.914   82.058   27.905   1.8860   26.794   1.5777 1.111876 2.458890 
1 1 1   -5   48   20 o   15.578   2.1191  257.860   59.620  227.043   99.489  275.127   74.473   14.550   3.5532   16.607   2.3102 -2.056438 4.238194 
1 1 1   -5   48   21 o   23.463   1.2894  540.940   58.238  648.468   86.316  451.087   78.903   25.608   1.7364   21.318   1.9067 4.290455 2.578876 
1 1 1   -5   48   22 o   11.467   2.3487  142.811   55.515  120.827   86.093  158.459   72.632   10.782   3.5500   12.152   3.0761 -1.370326 4.697319 
1 1 1   -5   48   23 o   15.878   1.9652  261.107   57.701  372.111   86.844  173.373   77.206   19.145   2.3368   12.611   3.1602 6.533638 3.930328 
1 1 1   -5   48   24 o   14.272   2.2919  229.709   61.975  190.201   94.170  259.894   82.313   12.968   3.6087   15.577   2.8263 -2.609198 4.583786 
1 1 1   -5   48   25 f   18.404   2.1112  341.015   70.774  527.072  117.501  235.080   88.662   22.349   2.7084   14.459   3.2392 7.889994 4.222307 
1 1 1   -5   49    1 o   33.413   4.6918  705.477   62.696  697.333   62.942  1740.18  709.474   26.786   1.2105   40.040   9.3052 -13.25382 9.383574 
1 1 1   -5   49    2 o   69.978   3.2279  5389.11  145.705  5426.28  148.139  4285.87  807.058   74.735   1.0211   65.222   6.3745 9.513000 6.455798 
1 1 1   -5   49    3 o   20.593   5.0875  317.728   56.679  319.157   56.808   3.3883  842.429   18.112   1.6158   23.075   10.046 -4.963118 10.17499 
1 1 1   -5   49    4 o   54.345   5.1020  2964.36   95.760  2963.03   96.188  3112.82  1016.23   55.232   0.8972   53.457   10.165 1.774261 10.20410 
1 1 1   -5   49    5 o   44.844   0.9078  1953.35   79.027  1953.35   79.027   0.0000   0.0000   44.844   0.9078  ?   ?       ?      ? 
1 1 1   -5   49    6 o   43.269   0.9180  1818.61   77.107  1818.61   77.107   0.0000   0.0000   43.269   0.9180  ?   ?       ?      ? 
1 1 1   -5   49    7 o   53.045   0.9186  2733.45   94.590  2733.45   94.590   0.0000   0.0000   53.045   0.9186  ?   ?       ?      ? 
1 1 1   -5   49    8 o   35.265   1.0225  1208.49   69.997  1208.49   69.997   0.0000   0.0000   35.265   1.0225  ?   ?       ?      ? 
1 1 1   -5   49    9 o   78.371   1.0757  5969.01  163.653  5969.01  163.653   0.0000   0.0000   78.371   1.0757  ?   ?       ?      ? 
1 1 1   -5   49   10 o   22.981   1.3818  513.735   61.641  513.735   61.641   0.0000   0.0000   22.981   1.3818  ?   ?       ?      ? 
1 1 1   -5   49   11 o   56.927   0.7734  3178.92   82.375  3262.77  104.246  3039.53  134.411   57.948   0.9267   55.906   1.2385 2.041603 1.546876 
1 1 1   -5   49   12 o   32.098   0.8777  1028.57   52.369  1107.68   66.737  901.805   84.482   33.758   1.0184   30.438   1.4298 3.319860 1.755462 
1 1 1   -5   49   13 o   30.604   0.9235  925.121   53.538  982.393   69.851  843.564   83.355   31.780   1.1323   29.428   1.4592 2.352108 1.846965 
1 1 1   -5   49   14 o   28.732   0.9212  789.277   49.900  745.847   62.687  864.393   82.442   27.682   1.1666   29.781   1.4261 -2.098431 1.842452 
1 1 1   -5   49   15 o   28.483   0.9662  798.261   52.290  830.628   68.153  751.941   81.530   29.205   1.2022   27.760   1.5130 1.444834 1.932421 
1 1 1   -5   49   16 o   33.555   0.8621  1099.63   54.212  1106.32   68.405  1088.32   88.893   33.711   1.0453   33.399   1.3711 0.3114433 1.724115 
1 1 1   -5   49   17 o   15.008   1.9861  225.493   55.036  265.789   86.814  198.417   71.163   16.110   2.8818   13.905   2.7338 2.205248 3.972214 
1 1 1   -5   49   18 o   16.622   2.0304  278.839   59.468  287.231  105.641  274.945   71.951   16.569   3.3985   16.675   2.2229 -0.1057110 4.060899 
1 1 1   -5   49   19 o   19.484   1.6437  354.440   60.095  484.020  102.042  285.634   74.357   22.025   2.3867   16.943   2.2608 5.081747 3.287457 
1 1 1   -5   49   20 o   25.489   1.3094  626.703   62.888  713.240  104.644  577.780   78.681   26.783   2.0127   24.195   1.6753 2.588396 2.618720 
1 1 1   -5   49   21 o   17.369   1.6624  304.146   55.817  291.768   81.646  315.008   76.480   17.004   2.4735   17.734   2.2216 -0.7296772 3.324715 
1 1 1   -5   49   22 o   13.752   2.2303  203.311   57.822  215.573   88.436  194.155   76.420   14.063   3.2969   13.441   3.0045 0.6222916 4.460541 
1 1 1   -5   49   23 o   9.0372   2.2410   58.121   58.077 -44.9358   85.339  147.028   79.265   6.5155   2.9856   11.559   3.3429 -5.043240 4.482077 
1 1 1   -5   49   24 o   7.5961   2.2794   15.085   59.873 -23.5914   89.340   46.618   80.669   6.9878   3.1433   8.2044   3.3018 -1.216627 4.558793 
1 1 1   -5   50    1 o   37.090   4.9519  1273.23   67.991  1270.50   68.285  1587.83  733.399   36.164   0.9727   38.017   9.8560 -1.853447 9.903864 
1 1 1   -5   50    2 o   30.274   5.6099  1057.49   67.794  1060.47   67.975  497.738  931.915   33.037   1.0599   27.512   11.170 5.524445 11.21982 
1 1 1   -5   50    3 o   33.853   6.0008  921.888   64.763  919.232   64.906  1524.73  977.810   30.757   1.0871   36.948   11.952 -6.191483 12.00158 
1 1 1   -5   50    4 o   34.651   0.9461  1166.45   63.641  1166.45   63.641   0.0000   0.0000   34.651   0.9461  ?   ?       ?      ? 
1 1 1   -5   50    5 o   42.152   0.9374  1726.23   76.700  1726.23   76.700   0.0000   0.0000   42.152   0.9374  ?   ?       ?      ? 
1 1 1   -5   50    6 o   51.036   0.9300  2530.58   92.132  2530.58   92.132   0.0000   0.0000   51.036   0.9300  ?   ?       ?      ? 
1 1 1   -5   50    7 o   36.421   1.0084  1288.94   71.294  1288.94   71.294   0.0000   0.0000   36.421   1.0084  ?   ?       ?      ? 
1 1 1   -5   50    8 o   32.397   1.0276  1019.90   64.625  1019.90   64.625   0.0000   0.0000   32.397   1.0276  ?   ?       ?      ? 
1 1 1   -5   50    9 o   63.951   0.9444  3973.71  117.233  3973.71  117.233   0.0000   0.0000   63.951   0.9444  ?   ?       ?      ? 
1 1 1   -5   50   10 o   72.944   1.0162  5171.28  143.895  5171.28  143.895   0.0000   0.0000   72.944   1.0162  ?   ?       ?      ? 
1 1 1   -5   50   11 o   39.182   0.7848  1504.04   58.177  1546.00   74.935  1440.37   92.304   39.883   0.9679   38.480   1.2357 1.403126 1.569652 
1 1 1   -5   50   12 o   19.066   1.3621  359.463   48.873  374.433   62.680  336.248   78.057   19.595   1.6478   18.537   2.1692 1.057804 2.724109 
1 1 1   -5   50   13 o   33.973   0.8189  1115.47   51.327  1098.60   63.172  1148.24   88.043   33.611   0.9682   34.334   1.3210 -0.7227478 1.637833 
1 1 1   -5   50   14 o   53.246   0.7768  2734.86   77.269  2671.56   96.384  2848.72  129.264   52.410   0.9474   54.082   1.2313 -1.671478 1.553577 
1 1 1   -5   50   15 f   39.828   0.7890  1516.84   58.401  1452.44   72.064  1640.05   99.679   38.636   0.9609   41.020   1.2518 -2.384094 1.578080 
1 1 1   -5   50   16 o   8.0002   2.1964   39.089   48.251   25.504   62.461   59.193   75.984   7.2274   2.9066   8.7729   3.2937 -1.545549 4.392762 
1 1 1   -5   50   17 o   53.855   0.9225  2830.09   96.009  2856.70  142.995  2808.26  129.552   54.071   1.3624   53.640   1.2442 0.4307251 1.845014 
1 1 1   -5   50   18 o   6.9829   2.2059 -26.1096   58.181 -22.2013   98.952 -28.1747   71.927   7.6461   3.3817   6.3196   2.8333 1.326513 4.411747 
1 1 1   -5   50   19 o   25.337   1.4261  679.835   64.222  514.217  107.349  772.151   80.146   22.640   2.4427   28.035   1.4727 -5.394938 2.852282 
1 1 1   -5   50   20 o   10.311   2.5783   98.498   61.673  119.498  106.658   87.950   75.592   11.067   3.9413   9.5556   3.3251 1.511319 5.156502 
1 1 1   -5   50   21 o   24.039   1.2495  581.588   57.105  451.317   81.034  710.099   80.485   21.265   1.9631   26.814   1.5463 -5.549143 2.498947 
1 1 1   -5   50   22 o   25.759   1.2335  657.362   61.293  691.876   92.892  630.748   81.571   26.326   1.8177   25.192   1.6681 1.134659 2.467081 
1 1 1   -5   50   23 o   6.8958   2.1485 -31.6667   59.344   38.741   85.167 -98.1142   82.737   8.1771   3.3547   5.6144   2.6851 2.562744 4.296943 
1 1 1   -5   50   24 o   12.595   2.4752  156.736   68.990  315.294  110.689   56.012   88.222   16.590   3.5447   8.5989   3.4557 7.991270 4.950386 
1 1 1   -5   51    1 o   67.753   4.5951  5537.50  152.191  5574.23  153.786  3794.69  1059.36   75.737   1.0460   59.770   9.1305 15.96684 9.190266 
1 1 1   -5   51    2 f   41.940   5.9448  1572.31   76.409  1568.70   76.620  2223.88  1030.43   40.181   0.9823   43.700   11.849 -3.519615 11.88953 
1 1 1   -5   51    3 o   23.056   1.3426  516.992   60.091  516.992   60.091   0.0000   0.0000   23.056   1.3426  ?   ?       ?      ? 
1 1 1   -5   51    4 o   42.183   0.9486  1728.83   77.675  1728.83   77.675   0.0000   0.0000   42.183   0.9486  ?   ?       ?      ? 
1 1 1   -5   51    5 o   54.056   0.9134  2838.71   95.843  2838.71   95.843   0.0000   0.0000   54.056   0.9134  ?   ?       ?      ? 
1 1 1   -5   51    6 o   29.317   1.2035  835.605   68.493  835.605   68.493   0.0000   0.0000   29.317   1.2035  ?   ?       ?      ? 
1 1 1   -5   51    7 o   83.900   1.1360  6842.76  185.015  6842.76  185.015   0.0000   0.0000   83.900   1.1360  ?   ?       ?      ? 
1 1 1   -5   51    8 o   9.6989   2.9409   92.838   60.183   92.838   60.183   0.0000   0.0000   9.6989   2.9409  ?   ?       ?      ? 
1 1 1   -5   51    9 o   41.943   0.9673  1709.63   78.756  1709.63   78.756   0.0000   0.0000   41.943   0.9673  ?   ?       ?      ? 
1 1 1   -5   51   10 o   47.285   0.9432  2173.04   86.578  2173.04   86.578   0.0000   0.0000   47.285   0.9432  ?   ?       ?      ? 
1 1 1   -5   51   11 o   17.721   1.7514  306.481   60.247  306.481   60.247   0.0000   0.0000   17.721   1.7514  ?   ?       ?      ? 
1 1 1   -5   51   12 o   22.123   1.2275  519.394   47.940  614.879   60.483  358.022   78.629   25.130   1.2399   19.117   2.1188 6.012381 2.454919 
1 1 1   -5   51   13 o   23.696   1.1213  530.465   50.623  459.290   64.474  644.886   81.747   21.695   1.5310   25.697   1.6388 -4.002228 2.242658 
1 1 1   -5   51   14 o   33.528   0.8701  1100.18   53.351  1109.67   65.452  1081.41   92.097   33.768   0.9985   33.289   1.4252 0.4786491 1.740199 
1 1 1   -5   51   15 o   23.002   1.1168  512.363   49.455  480.110   65.124  556.305   76.013   22.162   1.5138   23.842   1.6424 -1.679029 2.233621 
1 1 1   -5   51   16 o   19.010   1.3417  350.552   48.942  283.618   65.587  434.658   73.520   16.976   1.9902   21.043   1.7999 -4.066069 2.683401 
1 1 1   -5   51   17 o   34.729   0.8265  1170.38   54.704  1140.69   70.513  1215.24   86.695   34.197   1.0622   35.261   1.2666 -1.063110 1.653050 
1 1 1   -5   51   18 o   8.9347   2.2668   61.327   58.090 -61.5636  100.819  122.399   71.074   7.0482   3.2354   10.821   3.1758 -3.773013 4.533623 
1 1 1   -5   51   19 o   28.811   1.3072  852.110   68.200  734.088  115.199  915.795   84.623   27.099   2.1899   30.524   1.4282 -3.424494 2.614478 
1 1 1   -5   51   20 o   27.043   1.3810  749.413   67.199  668.583  116.036  790.203   82.429   25.772   2.3194   28.315   1.4997 -2.542316 2.762010 
1 1 1   -5   51   21 o   19.010   1.5359  363.094   56.515  403.422   82.328  327.155   77.720   20.022   2.1182   17.998   2.2246 2.024534 3.071731 
1 1 1   -5   51   22 o   24.193   1.3458  585.786   63.000  606.513   93.506  568.554   85.256   24.559   1.9614   23.827   1.8433 0.7325249 2.691583 
1 1 1   -5   51   23 o   10.271   2.5127  112.787   61.432   94.995   88.252  129.513   85.565   9.7308   3.5688   10.811   3.5381 -1.079654 5.025356 
1 1 1   -5   52    1 o   21.450   5.2452  197.010   63.269  191.635   63.520  871.467  711.599   13.800   2.4614   29.100   10.198 -15.30018 10.49044 
1 1 1   -5   52    2 o   47.863   0.9481  2225.78   88.090  2225.78   88.090   0.0000   0.0000   47.863   0.9481  ?   ?       ?      ? 
1 1 1   -5   52    3 o   36.765   0.9960  1313.45   71.086  1313.45   71.086   0.0000   0.0000   36.765   0.9960  ?   ?       ?      ? 
1 1 1   -5   52    4 o   24.131   1.3663  566.423   64.001  566.423   64.001   0.0000   0.0000   24.131   1.3663  ?   ?       ?      ? 
1 1 1   -5   52    5 o   45.137   0.9385  1979.57   82.230  1979.57   82.230   0.0000   0.0000   45.137   0.9385  ?   ?       ?      ? 
1 1 1   -5   52    6 o   49.697   0.9310  2399.78   89.815  2399.78   89.815   0.0000   0.0000   49.697   0.9310  ?   ?       ?      ? 
1 1 1   -5   52    7 o   25.353   1.3452  625.400   66.202  625.400   66.202   0.0000   0.0000   25.353   1.3452  ?   ?       ?      ? 
1 1 1   -5   52    8 o   47.457   0.9190  2188.59   84.662  2188.59   84.662   0.0000   0.0000   47.457   0.9190  ?   ?       ?      ? 
1 1 1   -5   52    9 o   15.565   1.9516  236.621   58.964  236.621   58.964   0.0000   0.0000   15.565   1.9516  ?   ?       ?      ? 
1 1 1   -5   52   10 o   21.897   1.3832  467.058   58.794  467.058   58.794   0.0000   0.0000   21.897   1.3832  ?   ?       ?      ? 
1 1 1   -5   52   11 o   19.878   1.6378  385.682   63.196  385.682   63.196   0.0000   0.0000   19.878   1.6378  ?   ?       ?      ? 
1 1 1   -5   52   12 o   11.783   2.1469  141.447   48.782  135.268   63.307  150.479   76.536   11.474   2.8541   12.092   3.2078 -0.6180096 4.293723 
1 1 1   -5   52   13 o   33.095   0.9859  1074.62   62.976  980.833   91.205  1160.09   87.063   31.695   1.4824   34.494   1.3003 -2.798290 1.971826 
1 1 1   -5   52   14 o   45.032   0.7854  1974.57   66.957  1970.50   85.667  1980.97  107.338   44.991   0.9809   45.073   1.2268 -0.8182526E-01 1.570727 
1 1 1   -5   52   15 o   25.481   1.0030  623.021   48.755  576.480   62.473  695.530   77.977   24.297   1.3246   26.665   1.5065 -2.367552 2.005964 
1 1 1   -5   52   16 o   27.702   0.9737  749.628   51.916  741.742   68.907  759.983   78.957   27.548   1.2886   27.857   1.4601 -0.3090954 1.947400 
1 1 1   -5   52   17 o   21.057   1.3025  439.461   53.037  466.302   73.504  410.309   76.603   21.750   1.7410   20.365   1.9378 1.384943 2.604991 
1 1 1   -5   52   18 o   17.566   2.0780  356.484   62.277  214.407  101.608  441.971   78.816   14.032   3.6836   21.100   1.9243 -7.068588 4.155902 
1 1 1   -5   52   19 o   31.891   1.1932  1018.19   69.842  964.527  118.295  1046.90   86.534   31.137   1.9571   32.645   1.3656 -1.507252 2.386451 
1 1 1   -5   52   20 f   9.8801   2.5145   95.320   63.230   25.073  114.912  125.824   75.724   8.9188   3.7935   10.841   3.3014 -1.922600 5.028960 
1 1 1   -5   52   21 o   14.491   2.1491  226.777   58.531  253.570   84.605  202.183   81.058   15.372   2.9425   13.611   3.1329 1.761230 4.298116 
1 1 1   -5   52   22 o   16.857   1.8848  295.596   61.605  315.572   88.807  277.068   85.530   17.422   2.6259   16.292   2.7045 1.130278 3.769631 
1 1 1   -5   52   23 o   9.0098   2.5630   63.204   67.443   74.274  107.426   56.002   86.648   9.4700   3.8106   8.5496   3.4286 0.9204473 5.126035 
1 1 1   -5   53    1 f   21.417   1.5466  446.554   64.299  446.554   64.299   0.0000   0.0000   21.417   1.5466  ?   ?       ?      ? 
1 1 1   -5   53    2 o   53.637   0.9215  2795.39   95.944  2795.39   95.944   0.0000   0.0000   53.637   0.9215  ?   ?       ?      ? 
1 1 1   -5   53    3 o   44.142   0.9634  1893.51   82.547  1893.51   82.547   0.0000   0.0000   44.142   0.9634  ?   ?       ?      ? 
1 1 1   -5   53    4 o   8.2587   2.8569   60.457   55.764   60.457   55.764   0.0000   0.0000   8.2587   2.8569  ?   ?       ?      ? 
1 1 1   -5   53    5 o   14.396   2.3038  202.646   64.382  202.646   64.382   0.0000   0.0000   14.396   2.3038  ?   ?       ?      ? 
1 1 1   -5   53    6 o   58.099   0.9719  3280.82  109.613  3280.82  109.613   0.0000   0.0000   58.099   0.9719  ?   ?       ?      ? 
1 1 1   -5   53    7 o   31.797   1.1777  983.537   72.694  983.537   72.694   0.0000   0.0000   31.797   1.1777  ?   ?       ?      ? 
1 1 1   -5   53    8 o   28.702   1.2494  801.864   69.611  801.864   69.611   0.0000   0.0000   28.702   1.2494  ?   ?       ?      ? 
1 1 1   -5   53    9 o   32.344   1.1153  1017.94   70.025  1017.94   70.025   0.0000   0.0000   32.344   1.1153  ?   ?       ?      ? 
1 1 1   -5   53   10 o   26.545   1.2926  686.401   66.604  686.401   66.604   0.0000   0.0000   26.545   1.2926  ?   ?       ?      ? 
1 1 1   -5   53   11 o   23.961   1.3844  559.852   64.395  559.852   64.395   0.0000   0.0000   23.961   1.3844  ?   ?       ?      ? 
1 1 1   -5   53   12 f   36.267   0.8218  1272.10   54.965  1252.08   67.618  1311.09   94.371   35.870   0.9711   36.665   1.3259 -0.7944031 1.643530 
1 1 1   -5   53   13 o   51.280   0.7849  2568.98   75.980  2592.08   96.995  2532.31  122.233   51.603   0.9683   50.958   1.2357 0.6449661 1.569888 
1 1 1   -5   53   14 o   36.363   0.8074  1286.35   55.265  1277.78   69.968  1300.58   90.114   36.222   0.9951   36.504   1.2717 -0.2823334 1.614761 
1 1 1   -5   53   15 o   6.4383   2.0019 -14.9465   48.249 -19.7278   65.828  -9.3958   70.927   6.1961   2.7484   6.6805   2.9115 -0.4843736 4.003833 
1 1 1   -5   53   16 o   13.027   2.1999  183.242   55.156  143.976   83.540  213.585   73.438   11.703   3.4455   14.350   2.7362 -2.646601 4.399838 
1 1 1   -5   53   17 o   11.575   2.1084  136.128   48.370   94.414   63.630  193.230   74.447   9.6171   3.0425   13.533   2.9197 -3.915583 4.216829 
1 1 1   -5   53   18 o   13.867   1.9392  210.966   49.260  249.326   63.299  152.059   78.440   15.816   2.0617   11.917   3.2850 3.898658 3.878389 
1 1 1   -5   53   19 o   17.220   2.2649  362.062   65.470  206.969  116.546  433.569   79.137   13.600   4.0856   20.840   1.9562 -7.240304 4.529798 
1 1 1   -5   53   20 o   14.781   2.4438  241.785   66.597  238.139  112.712  243.741   82.547   14.471   3.9167   15.091   2.9235 -0.6194868 4.887521 
1 1 1   -5   53   21 o   17.377   1.7700  311.392   59.627  324.047   83.596  298.285   85.075   17.768   2.4236   16.986   2.5801 0.7823715 3.539924 
1 1 1   -5   53   22 o   37.507   1.0183  1399.01   73.651  1404.52   98.835  1392.13  110.447   37.642   1.3526   37.372   1.5224 0.2700691 2.036516 
1 1 1   -5   54    1 o   33.869   1.1148  1115.49   73.297  1115.49   73.297   0.0000   0.0000   33.869   1.1148  ?   ?       ?      ? 
1 1 1   -5   54    2 o   15.907   2.0942  247.239   64.666  247.239   64.666   0.0000   0.0000   15.907   2.0942  ?   ?       ?      ? 
1 1 1   -5   54    3 o   10.719   2.9381  116.583   62.953  116.583   62.953   0.0000   0.0000   10.719   2.9381  ?   ?       ?      ? 
1 1 1   -5   54    4 o   42.235   0.9761  1734.00   80.025  1734.00   80.025   0.0000   0.0000   42.235   0.9761  ?   ?       ?      ? 
1 1 1   -5   54    5 o   53.027   0.9267  2733.27   95.389  2733.27   95.389   0.0000   0.0000   53.027   0.9267  ?   ?       ?      ? 
1 1 1   -5   54    6 o   47.958   0.9260  2235.93   86.202  2235.93   86.202   0.0000   0.0000   47.958   0.9260  ?   ?       ?      ? 
1 1 1   -5   54    7 o   37.248   1.0500  1349.62   75.923  1349.62   75.923   0.0000   0.0000   37.248   1.0500  ?   ?       ?      ? 
1 1 1   -5   54    8 o   25.896   1.3462  653.397   67.671  653.397   67.671   0.0000   0.0000   25.896   1.3462  ?   ?       ?      ? 
1 1 1   -5   54    9 o   11.885   2.6779  144.758   60.303  144.758   60.303   0.0000   0.0000   11.885   2.6779  ?   ?       ?      ? 
1 1 1   -5   54   10 o   26.789   1.1925  699.082   62.015  699.082   62.015   0.0000   0.0000   26.789   1.1925  ?   ?       ?      ? 
1 1 1   -5   54   11 o   22.556   1.4565  496.816   63.775  496.816   63.775   0.0000   0.0000   22.556   1.4565  ?   ?       ?      ? 
1 1 1   -5   54   12 o   40.789   0.8076  1588.08   62.144  1488.91   78.060  1759.69  102.690   39.101   1.0284   42.476   1.2454 -3.374180 1.615169 
1 1 1   -5   54   13 o   50.264   0.7727  2474.24   72.654  2507.74   91.617  2417.47  119.263   50.754   0.9299   49.774   1.2343 0.9791031 1.545421 
1 1 1   -5   54   14 o   8.9804   2.0063   50.156   48.919 -45.5832   67.626  155.241   70.850   5.7758   2.6508   12.185   3.0124 -6.409099 4.012652 
1 1 1   -5   54   15 o   13.966   1.8678  203.833   48.576  227.818   64.455  172.299   73.905   15.139   2.1932   12.792   3.0240 2.347316 3.735584 
1 1 1   -5   54   16 o   26.212   1.0416  660.790   52.089  601.665   66.669  753.444   83.457   24.758   1.3872   27.665   1.5540 -2.907755 2.083133 
1 1 1   -5   54   17 o   14.897   1.9195  238.464   52.580  291.797   70.717  172.529   78.629   17.098   2.1307   12.695   3.1935 4.402377 3.839064 
1 1 1   -5   54   18 o   20.893   1.3435  433.408   54.392  413.404   74.279  456.536   79.869   20.381   1.8775   21.405   1.9222 -1.024092 2.686923 
1 1 1   -5   54   19 o   11.501   2.5824  146.976   65.292  105.093  110.872  169.212   80.786   10.574   3.9769   12.427   3.2952 -1.852773 5.164726 
1 1 1   -5   54   20 o   7.6221   2.3880  -6.9443   66.884 -24.7543  116.833   1.7379   81.573   8.0233   3.6031   7.2210   3.1349 0.8022628 4.775929 
1 1 1   -5   54   21 o   22.869   1.4573  528.702   64.132  440.567   87.749  629.759   93.962   20.774   2.1760   24.964   1.9390 -4.190107 2.914548 
1 1 1   -5   55    1 o   13.313   2.4964  179.549   62.143  179.549   62.143   0.0000   0.0000   13.313   2.4964  ?   ?       ?      ? 
1 1 1   -5   55    2 o   31.384   1.1416  958.395   69.551  958.395   69.551   0.0000   0.0000   31.384   1.1416  ?   ?       ?      ? 
1 1 1   -5   55    3 o   34.796   1.0447  1177.70   70.567  1177.70   70.567   0.0000   0.0000   34.796   1.0447  ?   ?       ?      ? 
1 1 1   -5   55    4 o   18.911   1.7734  349.338   65.104  349.338   65.104   0.0000   0.0000   18.911   1.7734  ?   ?       ?      ? 
1 1 1   -5   55    5 o   28.561   1.2720  794.436   70.525  794.436   70.525   0.0000   0.0000   28.561   1.2720  ?   ?       ?      ? 
1 1 1   -5   55    6 o   53.320   0.9559  2764.93   98.944  2764.93   98.944   0.0000   0.0000   53.320   0.9559  ?   ?       ?      ? 
1 1 1   -5   55    7 o   21.422   1.5703  447.919   65.299  447.919   65.299   0.0000   0.0000   21.422   1.5703  ?   ?       ?      ? 
1 1 1   -5   55    8 o   39.014   1.0162  1481.15   76.962  1481.15   76.962   0.0000   0.0000   39.014   1.0162  ?   ?       ?      ? 
1 1 1   -5   55    9 o   23.650   1.4525  545.982   66.683  545.982   66.683   0.0000   0.0000   23.650   1.4525  ?   ?       ?      ? 
1 1 1   -5   55   10 o   22.279   1.5177  485.091   65.639  485.091   65.639   0.0000   0.0000   22.279   1.5177  ?   ?       ?      ? 
1 1 1   -5   55   11 o   5.6362   2.5614 -35.1998   61.144 -35.1998   61.144   0.0000   0.0000   5.6362   2.5614  ?   ?       ?      ? 
1 1 1   -5   55   12 o   49.534   0.9312  2388.84   89.538  2388.84   89.538   0.0000   0.0000   49.534   0.9312  ?   ?       ?      ? 
1 1 1   -5   55   13 o   14.912   1.8928  259.540   50.676  384.378   67.540   98.726   76.657   19.770   1.7599   10.054   3.3517 9.716620 3.785617 
1 1 1   -5   55   14 o   20.968   1.2394  432.040   49.346  427.184   63.361  439.526   78.671   20.851   1.5654   21.085   1.9221 -0.2340260 2.478880 
1 1 1   -5   55   15 o   13.590   1.9748  193.882   49.912  196.635   66.028  190.210   76.242   13.772   2.5642   13.408   3.0039 0.3640318 3.949508 
1 1 1   -5   55   16 o   20.547   1.3683  426.986   53.304  466.043   70.481  374.791   81.477   21.724   1.6713   19.369   2.1670 2.355211 2.736652 
1 1 1   -5   55   17 o   35.193   0.8812  1207.05   59.023  1175.10   75.866  1256.04   93.945   34.641   1.1282   35.744   1.3539 -1.103592 1.762395 
1 1 1   -5   55   18 o   10.951   1.9053  134.826   49.552  219.245   63.203   0.1657   79.825   14.740   2.2089   7.1621   3.1052 7.578110 3.810681 
1 1 1   -5   55   19 o   14.768   1.9238  226.017   52.031  205.200   66.107  259.905   84.346   13.956   2.5335   15.579   2.8956 -1.623553 3.847515 
1 1 1   -5   55   20 o   21.964   1.9530  543.880   73.277  398.922  120.986  627.860   92.088   18.960   3.4128   24.969   1.8999 -6.008955 3.906013 
1 1 1   -5   55   21 o   17.624   1.9700  334.503   65.437  354.188   89.801  312.218   95.549   18.410   2.5128   16.838   3.0349 1.572220 3.940100 
1 1 1   -5   56    1 o   29.666   1.2153  856.954   69.982  856.954   69.982   0.0000   0.0000   29.666   1.2153  ?   ?       ?      ? 
1 1 1   -5   56    2 f   32.349   1.1595  1018.72   72.809  1018.72   72.809   0.0000   0.0000   32.349   1.1595  ?   ?       ?      ? 
1 1 1   -5   56    3 o   8.9270   3.0922   71.714   65.339   71.714   65.339   0.0000   0.0000   8.9270   3.0922  ?   ?       ?      ? 
1 1 1   -5   56    4 o   16.632   1.8371  270.598   59.314  270.598   59.314   0.0000   0.0000   16.632   1.8371  ?   ?       ?      ? 
1 1 1   -5   56    5 o   17.644   1.7368  304.367   59.488  304.367   59.488   0.0000   0.0000   17.644   1.7368  ?   ?       ?      ? 
1 1 1   -5   56    6 o   24.458   1.3869  583.431   65.843  583.431   65.843   0.0000   0.0000   24.458   1.3869  ?   ?       ?      ? 
1 1 1   -5   56    7 o   12.084   2.8356  150.483   65.374  150.483   65.374   0.0000   0.0000   12.084   2.8356  ?   ?       ?      ? 
1 1 1   -5   56    8 f   22.897   1.4659  512.056   65.154  512.056   65.154   0.0000   0.0000   22.897   1.4659  ?   ?       ?      ? 
1 1 1   -5   56    9 o   9.3262   2.9798   85.345   60.919   85.345   60.919   0.0000   0.0000   9.3262   2.9798  ?   ?       ?      ? 
1 1 1   -5   56   10 o   4.3615   2.1192 -96.9267   56.687 -96.9267   56.687   0.0000   0.0000   4.3615   2.1192  ?   ?       ?      ? 
1 1 1   -5   56   11 o   28.311   1.2213  782.323   67.118  782.323   67.118   0.0000   0.0000   28.311   1.2213  ?   ?       ?      ? 
1 1 1   -5   56   12 o   11.103   2.8967  128.619   63.090  128.619   63.090   0.0000   0.0000   11.103   2.8967  ?   ?       ?      ? 
1 1 1   -5   56   13 o   21.180   1.2188  438.419   48.345  428.637   60.555  455.613   80.285   20.896   1.4929   21.463   1.9270 -0.5671329 2.437584 
1 1 1   -5   56   14 o   20.418   1.3080  407.660   51.503  366.663   68.293  461.726   78.426   19.247   1.8278   21.589   1.8714 -2.341393 2.615932 
1 1 1   -5   56   15 o   48.520   0.9707  2298.38   91.430  2298.38   91.430   0.0000   0.0000   48.520   0.9707  ?   ?       ?      ? 
1 1 1   -5   56   16 o   13.672   1.9668  203.746   50.101  240.960   65.404  150.899   77.941   15.505   2.1731   11.839   3.2790 3.665553 3.933673 
1 1 1   -5   56   17 o   5.7560   1.9009 -77.3581   52.260 -119.3687   68.543 -19.0275   80.767   4.6987   2.2935   6.8132   3.0321 -2.114575 3.801868 
1 1 1   -5   56   18 o   28.355   1.1151  788.669   60.790  736.230   79.668  861.755   94.053   27.267   1.5052   29.443   1.6456 -2.176035 2.230136 
1 1 1   -5   56   19 o   8.8682   2.2340   48.823   57.648 -48.6901   81.446  146.724   81.608   6.2548   2.8846   11.482   3.4119 -5.226811 4.467929 
1 1 1   -5   56   20 o   18.367   2.3092  408.156   73.720  259.640  120.072  498.010   93.395   14.695   4.0698   22.040   2.1830 -7.345168 4.618312 
1 1 1   -5   57    1 o   33.830   1.1310  1114.50   74.271  1114.50   74.271   0.0000   0.0000   33.830   1.1310  ?   ?       ?      ? 
1 1 1   -5   57    2 o   14.407   2.2383  204.082   62.596  204.082   62.596   0.0000   0.0000   14.407   2.2383  ?   ?       ?      ? 
1 1 1   -5   57    3 o   10.063   3.0308  101.751   64.076  101.751   64.076   0.0000   0.0000   10.063   3.0308  ?   ?       ?      ? 
1 1 1   -5   57    4 o   10.795   2.9028  119.664   62.147  119.664   62.147   0.0000   0.0000   10.795   2.9028  ?   ?       ?      ? 
1 1 1   -5   57    5 o   14.529   2.2740  207.937   64.136  207.937   64.136   0.0000   0.0000   14.529   2.2740  ?   ?       ?      ? 
1 1 1   -5   57    6 o   15.028   2.0891  222.086   60.944  222.086   60.944   0.0000   0.0000   15.028   2.0891  ?   ?       ?      ? 
1 1 1   -5   57    7 o   17.203   1.8734  290.405   62.559  290.405   62.559   0.0000   0.0000   17.203   1.8734  ?   ?       ?      ? 
1 1 1   -5   57    8 o   8.9152   2.9168   76.758   58.155   76.758   58.155   0.0000   0.0000   8.9152   2.9168  ?   ?       ?      ? 
1 1 1   -5   57    9 f   7.2554   2.9154   26.437   62.782   26.437   62.782   0.0000   0.0000   7.2554   2.9154  ?   ?       ?      ? 
1 1 1   -5   57   10 o   42.985   0.9831  1800.40   82.033  1800.40   82.033   0.0000   0.0000   42.985   0.9831  ?   ?       ?      ? 
1 1 1   -5   57   11 o   35.188   1.0654  1208.21   72.776  1208.21   72.776   0.0000   0.0000   35.188   1.0654  ?   ?       ?      ? 
1 1 1   -5   57   12 o   17.267   1.8072  294.374   60.577  294.374   60.577   0.0000   0.0000   17.267   1.8072  ?   ?       ?      ? 
1 1 1   -5   57   13 o   20.593   1.2715  416.860   50.635  388.707   68.069  451.741   75.767   19.826   1.7687   21.360   1.8273 -1.533861 2.543068 
1 1 1   -5   57   14 o   19.625   1.3520  380.850   49.808  376.513   62.780  388.217   81.825   19.529   1.6560   19.720   2.1375 -0.1909447 2.703966 
1 1 1   -5   57   15 o   7.4620   2.1525   27.718   48.684   27.259   63.691   28.363   75.508   7.2153   2.9233   7.7087   3.1602 -0.4933929 4.304924 
1 1 1   -5   57   16 o   19.267   1.4661  378.025   53.696  407.388   71.063  338.950   81.977   20.227   1.8099   18.306   2.3069 1.920876 2.932128 
1 1 1   -5   57   17 o   30.955   1.0223  944.806   59.803  936.844   76.209  957.569   96.482   30.848   1.2726   31.061   1.6002 -0.2123604 2.044558 
1 1 1   -5   57   18 o   9.8996   2.3007   93.012   52.264   52.059   67.349  155.005   82.864   8.0059   3.0785   11.793   3.4200 -3.787471 4.601482 
1 1 1   -5   57   19 o   12.769   2.1996  173.030   53.391  135.432   67.929  233.797   86.359   11.045   3.0619   14.494   3.1587 -3.449187 4.399169 
1 1 1   -5   58    1 o   28.002   1.2216  764.508   66.402  764.508   66.402   0.0000   0.0000   28.002   1.2216  ?   ?       ?      ? 
1 1 1   -5   58    2 o   16.817   2.0280  277.961   66.202  277.961   66.202   0.0000   0.0000   16.817   2.0280  ?   ?       ?      ? 
1 1 1   -5   58    3 o   19.115   1.7581  358.040   65.234  358.040   65.234   0.0000   0.0000   19.115   1.7581  ?   ?       ?      ? 
1 1 1   -5   58    4 o   8.5450   3.0465   63.510   63.744   63.510   63.744   0.0000   0.0000   8.5450   3.0465  ?   ?       ?      ? 
1 1 1   -5   58    5 o   15.703   2.0998  242.785   64.006  242.785   64.006   0.0000   0.0000   15.703   2.0998  ?   ?       ?      ? 
1 1 1   -5   58    6 o   21.065   1.5642  434.272   63.961  434.272   63.961   0.0000   0.0000   21.065   1.5642  ?   ?       ?      ? 
1 1 1   -5   58    7 o   22.449   1.5102  493.178   65.809  493.178   65.809   0.0000   0.0000   22.449   1.5102  ?   ?       ?      ? 
1 1 1   -5   58    8 f   33.441   1.1387  1090.98   73.915  1090.98   73.915   0.0000   0.0000   33.441   1.1387  ?   ?       ?      ? 
1 1 1   -5   58    9 o   34.738   1.0932  1177.54   73.718  1177.54   73.718   0.0000   0.0000   34.738   1.0932  ?   ?       ?      ? 
1 1 1   -5   58   10 o   23.431   1.3129  537.457   59.715  537.457   59.715   0.0000   0.0000   23.431   1.3129  ?   ?       ?      ? 
1 1 1   -5   58   11 o   30.390   1.1880  903.367   70.081  903.367   70.081   0.0000   0.0000   30.390   1.1880  ?   ?       ?      ? 
1 1 1   -5   58   12 o   6.3215   2.7757 -11.2049   65.539 -11.2049   65.539   0.0000   0.0000   6.3215   2.7757  ?   ?       ?      ? 
1 1 1   -5   58   13 o   10.761   2.9119  122.388   62.306  122.388   62.306   0.0000   0.0000   10.761   2.9119  ?   ?       ?      ? 
1 1 1   -5   58   14 o   10.938   2.0004   98.898   51.259  -1.2918   66.447  246.149   80.555   6.5751   2.8419   15.300   2.8160 -8.724821 4.000794 
1 1 1   -5   58   15 o   16.002   1.7623  264.078   52.077  264.963   66.896  262.717   82.969   16.235   2.1227   15.769   2.8137 0.4660130 3.524536 
1 1 1   -5   58   16 o   7.3819   2.1880   19.091   50.924   13.375   63.584   29.316   85.042   6.7666   2.8471   7.9972   3.3233 -1.230579 4.376085 
1 1 1   -5   58   17 o   7.3574   2.1163   16.112   52.609   70.190   67.776 -65.8594   83.444   8.6255   3.1329   6.0893   2.8461 2.536198 4.232628 
1 1 1   -5   58   18 o   12.602   2.2519  182.967   56.771  229.677   76.082  124.293   85.272   14.573   2.7911   10.631   3.5346 3.942012 4.503754 
1 1 1   -5   58   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   59    1 o   9.3928   2.9830   87.215   61.119   87.215   61.119   0.0000   0.0000   9.3928   2.9830  ?   ?       ?      ? 
1 1 1   -5   59    2 o   10.705   2.9536  118.211   63.376  118.211   63.376   0.0000   0.0000   10.705   2.9536  ?   ?       ?      ? 
1 1 1   -5   59    3 o   14.349   2.3671  203.829   65.933  203.829   65.933   0.0000   0.0000   14.349   2.3671  ?   ?       ?      ? 
1 1 1   -5   59    4 o   17.749   1.7920  309.373   61.743  309.373   61.743   0.0000   0.0000   17.749   1.7920  ?   ?       ?      ? 
1 1 1   -5   59    5 o   22.875   1.3923  511.693   61.824  511.693   61.824   0.0000   0.0000   22.875   1.3923  ?   ?       ?      ? 
1 1 1   -5   59    6 o   11.220   2.8264  131.029   61.528  131.029   61.528   0.0000   0.0000   11.220   2.8264  ?   ?       ?      ? 
1 1 1   -5   59    7 o   32.550   1.0872  1033.87   68.693  1033.87   68.693   0.0000   0.0000   32.550   1.0872  ?   ?       ?      ? 
1 1 1   -5   59    8 o   23.244   1.5004  530.215   67.698  530.215   67.698   0.0000   0.0000   23.244   1.5004  ?   ?       ?      ? 
1 1 1   -5   59    9 o   23.597   1.4420  546.445   66.055  546.445   66.055   0.0000   0.0000   23.597   1.4420  ?   ?       ?      ? 
1 1 1   -5   59   10 o   5.6500   2.5881 -40.0435   64.050 -40.0435   64.050   0.0000   0.0000   5.6500   2.5881  ?   ?       ?      ? 
1 1 1   -5   59   11 o   8.6249   3.0216   69.722   62.476   69.722   62.476   0.0000   0.0000   8.6249   3.0216  ?   ?       ?      ? 
1 1 1   -5   59   12 o   18.972   1.7122  355.908   63.057  355.908   63.057   0.0000   0.0000   18.972   1.7122  ?   ?       ?      ? 
1 1 1   -5   59   13 o   28.880   1.3070  819.472   73.274  819.472   73.274   0.0000   0.0000   28.880   1.3070  ?   ?       ?      ? 
1 1 1   -5   59   14 o   15.544   1.8585  257.659   52.201  278.435   66.589  224.536   84.080   16.657   2.0594   14.431   3.0942 2.225160 3.716945 
1 1 1   -5   59   15 o   12.436   2.1662  174.984   51.328  196.154   64.012  136.860   85.902   13.660   2.5064   11.212   3.5338 2.447688 4.332424 
1 1 1   -5   59   16 o   13.332   2.1388  193.238   53.147  190.883   68.207  196.878   84.792   13.348   2.7246   13.316   3.2976 0.3200817E-01 4.277584 
1 1 1   -5   59   17 o   9.5827   2.3893   91.917   54.640   76.683   70.933  114.147   85.685   8.8588   3.2070   10.307   3.5427 -1.447806 4.778659 
1 1 1   -5   59   18 o   9.5133   2.4105   93.439   56.072   90.286   74.048   97.677   85.850   9.3149   3.2875   9.7117   3.5262 -0.3967552 4.820964 
1 1 1   -5   60    1 o   15.327   2.2211  232.844   66.080  232.844   66.080   0.0000   0.0000   15.327   2.2211  ?   ?       ?      ? 
1 1 1   -5   60    2 o   27.803   1.2451  755.316   67.195  755.316   67.195   0.0000   0.0000   27.803   1.2451  ?   ?       ?      ? 
1 1 1   -5   60    3 o   26.786   1.3652  702.174   70.987  702.174   70.987   0.0000   0.0000   26.786   1.3652  ?   ?       ?      ? 
1 1 1   -5   60    4 o   28.837   1.2685  813.125   71.005  813.125   71.005   0.0000   0.0000   28.837   1.2685  ?   ?       ?      ? 
1 1 1   -5   60    5 o   8.2778   3.0550   56.895   64.824   56.895   64.824   0.0000   0.0000   8.2778   3.0550  ?   ?       ?      ? 
1 1 1   -5   60    6 o   17.652   1.9302  308.171   66.142  308.171   66.142   0.0000   0.0000   17.652   1.9302  ?   ?       ?      ? 
1 1 1   -5   60    7 o   17.969   1.9405  319.759   67.687  319.759   67.687   0.0000   0.0000   17.969   1.9405  ?   ?       ?      ? 
1 1 1   -5   60    8 o   38.585   1.0717  1454.72   80.271  1454.72   80.271   0.0000   0.0000   38.585   1.0717  ?   ?       ?      ? 
1 1 1   -5   60    9 o   7.1490   2.9773   16.921   68.467   16.921   68.467   0.0000   0.0000   7.1490   2.9773  ?   ?       ?      ? 
1 1 1   -5   60   10 o   25.570   1.3472  641.778   66.870  641.778   66.870   0.0000   0.0000   25.570   1.3472  ?   ?       ?      ? 
1 1 1   -5   60   11 o   7.5503   2.9862   36.622   64.847   36.622   64.847   0.0000   0.0000   7.5503   2.9862  ?   ?       ?      ? 
1 1 1   -5   60   12 o   19.562   1.8433  380.799   69.997  380.799   69.997   0.0000   0.0000   19.562   1.8433  ?   ?       ?      ? 
1 1 1   -5   60   13 o   24.513   1.4043  592.623   66.820  592.623   66.820   0.0000   0.0000   24.513   1.4043  ?   ?       ?      ? 
1 1 1   -5   60   14 f   19.822   1.4729  392.443   55.204  380.293   70.096  412.286   89.580   19.499   1.8519   20.145   2.2908 -0.6460609 2.945707 
1 1 1   -5   60   15 o   12.396   1.9870  178.393   51.785  267.070   68.445   59.671   79.196   16.219   2.1739   8.5734   3.3267 7.645823 3.974025 
1 1 1   -5   60   16 o   9.0743   2.2393   56.180   51.173   2.1844   63.569  155.591   86.254   6.4225   2.7778   11.726   3.5130 -5.303660 4.478520 
1 1 1   -5   60   17 o   8.7948   2.2987   74.879   53.190   97.592   66.931   35.948   87.628   9.5074   3.1301   8.0822   3.3673 1.425127 4.597373 
1 1 1   -5   61    1 o   16.567   2.0491  272.221   65.898  272.221   65.898   0.0000   0.0000   16.567   2.0491  ?   ?       ?      ? 
1 1 1   -5   61    2 o   27.599   1.2823  745.698   68.702  745.698   68.702   0.0000   0.0000   27.599   1.2823  ?   ?       ?      ? 
1 1 1   -5   61    3 o   15.067   2.1223  225.660   62.075  225.660   62.075   0.0000   0.0000   15.067   2.1223  ?   ?       ?      ? 
1 1 1   -5   61    4 o   17.339   1.8460  297.290   62.135  297.290   62.135   0.0000   0.0000   17.339   1.8460  ?   ?       ?      ? 
1 1 1   -5   61    5 o   16.131   2.0504  258.676   64.206  258.676   64.206   0.0000   0.0000   16.131   2.0504  ?   ?       ?      ? 
1 1 1   -5   61    6 o   13.070   2.6197  178.183   64.152  178.183   64.152   0.0000   0.0000   13.070   2.6197  ?   ?       ?      ? 
1 1 1   -5   61    7 o   12.409   2.7971  162.371   65.766  162.371   65.766   0.0000   0.0000   12.409   2.7971  ?   ?       ?      ? 
1 1 1   -5   61    8 o   21.672   1.6025  463.167   67.416  463.167   67.416   0.0000   0.0000   21.672   1.6025  ?   ?       ?      ? 
1 1 1   -5   61    9 o   41.929   1.0193  1717.86   82.959  1717.86   82.959   0.0000   0.0000   41.929   1.0193  ?   ?       ?      ? 
1 1 1   -5   61   10 o   6.2282   2.7653 -17.1674   66.797 -17.1674   66.797   0.0000   0.0000   6.2282   2.7653  ?   ?       ?      ? 
1 1 1   -5   61   11 o   10.689   3.0820  122.302   67.464  122.302   67.464   0.0000   0.0000   10.689   3.0820  ?   ?       ?      ? 
1 1 1   -5   61   12 o   17.239   1.9050  297.247   63.749  297.247   63.749   0.0000   0.0000   17.239   1.9050  ?   ?       ?      ? 
1 1 1   -5   61   13 o   12.908   2.8536  179.413   69.601  179.413   69.601   0.0000   0.0000   12.908   2.8536  ?   ?       ?      ? 
1 1 1   -5   61   14 o   8.7042   3.1225   73.067   67.062   73.067   67.062   0.0000   0.0000   8.7042   3.1225  ?   ?       ?      ? 
1 1 1   -5   61   15 o   9.1648   2.3555   83.155   53.627   90.413   67.794   71.021   87.657   9.2955   3.1519   9.0340   3.5014 0.2615623 4.711086 
1 1 1   -5   61   16 o   8.1496   2.2991   33.738   55.402  -6.5080   70.444   98.999   89.703   6.4944   2.8637   9.8049   3.5977 -3.310506 4.598289 
1 1 1   -5   62    1 o   11.801   2.8220  147.092   63.775  147.092   63.775   0.0000   0.0000   11.801   2.8220  ?   ?       ?      ? 
1 1 1   -5   62    2 o   10.291   3.0599  110.828   65.623  110.828   65.623   0.0000   0.0000   10.291   3.0599  ?   ?       ?      ? 
1 1 1   -5   62    3 o   11.079   2.9698  130.018   65.170  130.018   65.170   0.0000   0.0000   11.079   2.9698  ?   ?       ?      ? 
1 1 1   -5   62    4 o   45.630   0.9685  2032.72   85.788  2032.72   85.788   0.0000   0.0000   45.630   0.9685  ?   ?       ?      ? 
1 1 1   -5   62    5 o   35.949   1.0551  1263.02   73.629  1263.02   73.629   0.0000   0.0000   35.949   1.0551  ?   ?       ?      ? 
1 1 1   -5   62    6 o   13.633   2.4624  192.413   62.770  192.413   62.770   0.0000   0.0000   13.633   2.4624  ?   ?       ?      ? 
1 1 1   -5   62    7 o   35.713   1.0807  1247.45   74.916  1247.45   74.916   0.0000   0.0000   35.713   1.0807  ?   ?       ?      ? 
1 1 1   -5   62    8 o   10.854   3.0330  125.569   66.376  125.569   66.376   0.0000   0.0000   10.854   3.0330  ?   ?       ?      ? 
1 1 1   -5   62    9 o   8.0972   3.0861   52.310   67.310   52.310   67.310   0.0000   0.0000   8.0972   3.0861  ?   ?       ?      ? 
1 1 1   -5   62   10 o   22.040   1.6192  481.560   69.273  481.560   69.273   0.0000   0.0000   22.040   1.6192  ?   ?       ?      ? 
1 1 1   -5   62   11 o   12.139   2.8551  158.635   66.150  158.635   66.150   0.0000   0.0000   12.139   2.8551  ?   ?       ?      ? 
1 1 1   -5   62   12 o   6.8608   2.9232   9.4650   68.442   9.4650   68.442   0.0000   0.0000   6.8608   2.9232  ?   ?       ?      ? 
1 1 1   -5   62   13 o   7.9627   2.9626   56.230   61.207   56.230   61.207   0.0000   0.0000   7.9627   2.9626  ?   ?       ?      ? 
1 1 1   -5   62   14 o   14.017   2.6987  211.734   70.769  211.734   70.769   0.0000   0.0000   14.017   2.6987  ?   ?       ?      ? 
1 1 1   -5   62   15 o   6.9535   2.1416 -13.7136   55.450 -57.8598   73.309   45.318   84.772   5.6828   2.6597   8.2243   3.3573 -2.541533 4.283203 
1 1 1   -5   63    1 o   21.024   1.5929  436.028   65.007  436.028   65.007   0.0000   0.0000   21.024   1.5929  ?   ?       ?      ? 
1 1 1   -5   63    2 o   7.5885   2.9882   37.854   64.669   37.854   64.669   0.0000   0.0000   7.5885   2.9882  ?   ?       ?      ? 
1 1 1   -5   63    3 o   26.060   1.3739  667.348   69.502  667.348   69.502   0.0000   0.0000   26.060   1.3739  ?   ?       ?      ? 
1 1 1   -5   63    4 o   7.7257   3.0571   38.688   67.993   38.688   67.993   0.0000   0.0000   7.7257   3.0571  ?   ?       ?      ? 
1 1 1   -5   63    5 o   24.397   1.5314  587.247   72.525  587.247   72.525   0.0000   0.0000   24.397   1.5314  ?   ?       ?      ? 
1 1 1   -5   63    6 o   29.864   1.2988  876.381   75.294  876.381   75.294   0.0000   0.0000   29.864   1.2988  ?   ?       ?      ? 
1 1 1   -5   63    7 o   5.8100   2.6653 -41.3312   68.274 -41.3312   68.274   0.0000   0.0000   5.8100   2.6653  ?   ?       ?      ? 
1 1 1   -5   63    8 o   32.193   1.2209  1018.15   76.296  1018.15   76.296   0.0000   0.0000   32.193   1.2209  ?   ?       ?      ? 
1 1 1   -5   63    9 o   22.637   1.4824  506.769   65.140  506.769   65.140   0.0000   0.0000   22.637   1.4824  ?   ?       ?      ? 
1 1 1   -5   63   10 o   5.0718   2.4066 -70.2429   63.852 -70.2429   63.852   0.0000   0.0000   5.0718   2.4066  ?   ?       ?      ? 
1 1 1   -5   63   11 o   5.3966   2.5300 -58.7717   66.801 -58.7717   66.801   0.0000   0.0000   5.3966   2.5300  ?   ?       ?      ? 
1 1 1   -5   63   12 o   9.0846   2.9942   86.314   61.241   86.314   61.241   0.0000   0.0000   9.0846   2.9942  ?   ?       ?      ? 
1 1 1   -5   63   13 o   11.686   3.0749  152.308   70.699  152.308   70.699   0.0000   0.0000   11.686   3.0749  ?   ?       ?      ? 
1 1 1   -5   63   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -5   64    1 o   39.603   1.0864  1535.85   83.521  1535.85   83.521   0.0000   0.0000   39.603   1.0864  ?   ?       ?      ? 
1 1 1   -5   64    2 o   19.376   1.7799  373.187   66.947  373.187   66.947   0.0000   0.0000   19.376   1.7799  ?   ?       ?      ? 
1 1 1   -5   64    3 o   12.208   2.7035  158.126   62.377  158.126   62.377   0.0000   0.0000   12.208   2.7035  ?   ?       ?      ? 
1 1 1   -5   64    4 o   32.330   1.1260  1024.62   70.667  1024.62   70.667   0.0000   0.0000   32.330   1.1260  ?   ?       ?      ? 
1 1 1   -5   64    5 o   31.870   1.1845  997.041   73.279  997.041   73.279   0.0000   0.0000   31.870   1.1845  ?   ?       ?      ? 
1 1 1   -5   64    6 o   7.5086   2.9996   35.698   66.037   35.698   66.037   0.0000   0.0000   7.5086   2.9996  ?   ?       ?      ? 
1 1 1   -5   64    7 o   11.273   2.9293  137.326   64.688  137.326   64.688   0.0000   0.0000   11.273   2.9293  ?   ?       ?      ? 
1 1 1   -5   64    8 o   8.2781   3.0335   62.247   63.746   62.247   63.746   0.0000   0.0000   8.2781   3.0335  ?   ?       ?      ? 
1 1 1   -5   64    9 o   6.2410   2.7984 -21.4981   70.185 -21.4981   70.185   0.0000   0.0000   6.2410   2.7984  ?   ?       ?      ? 
1 1 1   -5   64   10 o   17.306   1.9119  301.490   64.229  301.490   64.229   0.0000   0.0000   17.306   1.9119  ?   ?       ?      ? 
1 1 1   -5   64   11 o   5.5158   2.5287 -34.2704   61.318 -34.2704   61.318   0.0000   0.0000   5.5158   2.5287  ?   ?       ?      ? 
1 1 1   -5   64   12 o   10.171   3.1236  114.356   67.604  114.356   67.604   0.0000   0.0000   10.171   3.1236  ?   ?       ?      ? 
1 1 1   -5   65    1 o   7.6891   2.9990   43.375   64.621   43.375   64.621   0.0000   0.0000   7.6891   2.9990  ?   ?       ?      ? 
1 1 1   -5   65    2 o   24.895   1.4811  612.918   71.574  612.918   71.574   0.0000   0.0000   24.895   1.4811  ?   ?       ?      ? 
1 1 1   -5   65    3 o   13.965   2.5795  205.531   67.349  205.531   67.349   0.0000   0.0000   13.965   2.5795  ?   ?       ?      ? 
1 1 1   -5   65    4 o   5.8240   2.6339 -27.1342   63.712 -27.1342   63.712   0.0000   0.0000   5.8240   2.6339  ?   ?       ?      ? 
1 1 1   -5   65    5 o   34.342   1.1159  1157.62   74.393  1157.62   74.393   0.0000   0.0000   34.342   1.1159  ?   ?       ?      ? 
1 1 1   -5   65    6 o   34.687   1.1150  1181.37   75.079  1181.37   75.079   0.0000   0.0000   34.687   1.1150  ?   ?       ?      ? 
1 1 1   -5   65    7 o   6.4718   2.8103  -0.9080   65.584  -0.9080   65.584   0.0000   0.0000   6.4718   2.8103  ?   ?       ?      ? 
1 1 1   -5   65    8 o   18.160   1.9817  332.924   69.862  332.924   69.862   0.0000   0.0000   18.160   1.9817  ?   ?       ?      ? 
1 1 1   -5   65    9 o   17.809   2.0198  321.487   69.825  321.487   69.825   0.0000   0.0000   17.809   2.0198  ?   ?       ?      ? 
1 1 1   -5   65   10 f   9.1451   2.9974   89.001   61.405   89.001   61.405   0.0000   0.0000   9.1451   2.9974  ?   ?       ?      ? 
1 1 1   -5   65   11 o   6.1120   2.7381 -17.3187   67.035 -17.3187   67.035   0.0000   0.0000   6.1120   2.7381  ?   ?       ?      ? 
1 1 1   -5   66    1 o   18.495   1.8929  343.389   67.958  343.389   67.958   0.0000   0.0000   18.495   1.8929  ?   ?       ?      ? 
1 1 1   -5   66    2 o   13.182   2.7804  186.821   68.905  186.821   68.905   0.0000   0.0000   13.182   2.7804  ?   ?       ?      ? 
1 1 1   -5   66    3 o   18.252   1.9836  335.729   70.280  335.729   70.280   0.0000   0.0000   18.252   1.9836  ?   ?       ?      ? 
1 1 1   -5   66    4 o   25.552   1.4490  646.882   71.872  646.882   71.872   0.0000   0.0000   25.552   1.4490  ?   ?       ?      ? 
1 1 1   -5   66    5 o   22.956   1.6361  525.438   72.907  525.438   72.907   0.0000   0.0000   22.956   1.6361  ?   ?       ?      ? 
1 1 1   -5   66    6 o   13.788   2.6606  203.692   68.634  203.692   68.634   0.0000   0.0000   13.788   2.6606  ?   ?       ?      ? 
1 1 1   -5   66    7 o   12.385   2.8273  167.542   66.478  167.542   66.478   0.0000   0.0000   12.385   2.8273  ?   ?       ?      ? 
1 1 1   -5   66    8 o   12.694   2.8409  176.780   68.256  176.780   68.256   0.0000   0.0000   12.694   2.8409  ?   ?       ?      ? 
1 1 1   -5   66    9 o   11.692   2.9948  152.398   68.269  152.398   68.269   0.0000   0.0000   11.692   2.9948  ?   ?       ?      ? 
1 1 1   -5   67    1 o   6.2475   2.7738 -12.7041   67.198 -12.7041   67.198   0.0000   0.0000   6.2475   2.7738  ?   ?       ?      ? 
1 1 1   -5   67    2 o   21.372   1.6556  456.745   68.688  456.745   68.688   0.0000   0.0000   21.372   1.6556  ?   ?       ?      ? 
1 1 1   -5   67    3 o   5.2673   2.4815 -61.4133   65.648 -61.4133   65.648   0.0000   0.0000   5.2673   2.4815  ?   ?       ?      ? 
1 1 1   -5   67    4 o   6.9373   2.9265   16.649   67.468   16.649   67.468   0.0000   0.0000   6.9373   2.9265  ?   ?       ?      ? 
1 1 1   -5   67    5 o   10.334   3.0956  118.202   66.979  118.202   66.979   0.0000   0.0000   10.334   3.0956  ?   ?       ?      ? 
1 1 1   -5   67    6 o   18.886   1.9078  361.436   69.941  361.436   69.941   0.0000   0.0000   18.886   1.9078  ?   ?       ?      ? 
1 1 1   -5   67    7 o   6.7983   2.8903   13.416   66.648   13.416   66.648   0.0000   0.0000   6.7983   2.8903  ?   ?       ?      ? 
1 1 1   -5   68    1 o   8.4653   3.2362   64.078   74.154   64.078   74.154   0.0000   0.0000   8.4653   3.2362  ?   ?       ?      ? 
1 1 1   -5   68    2 o   7.8395   3.1355   44.685   72.254   44.685   72.254   0.0000   0.0000   7.8395   3.1355  ?   ?       ?      ? 
1 1 1   -4    0    1 o  217.542   2.0921 46179.36  848.418 46740.59  1064.98 45204.44  1403.64  219.385   2.5015  215.699   3.3541 -0.000000 0.000000 
1 1 1   -4    0    2 o  283.237   2.4278 77900.48  1334.19 79312.78  1905.34 76541.74  1868.85  285.756   3.4360  280.718   3.4307 -0.000000 0.000000 
1 1 1   -4    0    3 o  408.365   2.6285 161949.20  2083.22 162595.09  2952.58 161308.91  2939.68  409.176   3.7180  407.554   3.7165 -0.000000 0.000000 
1 1 1   -4    0    4 o   62.246   1.9970  4228.43  136.913  4339.45  144.629  3270.39  424.861   66.836   1.1155   57.656   3.8350 -0.000000 0.000000 
1 1 1   -4    0    5 o  331.919   2.5246 106973.00  1625.54 105660.20  2260.82 108378.10  2338.89  329.814   3.5322  334.025   3.6081 -0.000000 0.000000 
1 1 1   -4    0    6 o   26.456   2.9543  731.385  139.337  770.947  192.436  687.783  202.019   27.405   3.8318   25.507   4.4977 -0.000000 0.000000 
1 1 1   -4    0    7 o  156.118   2.3779 23711.50  719.756 23913.61  1011.76 23504.40  1024.14  156.796   3.3275  155.440   3.3978 -0.000000 0.000000 
1 1 1   -4    0    8 o   73.610   2.4724  5300.15  351.466  5307.24  496.563  5293.03  497.534   73.661   3.4906   73.560   3.5024 -0.000000 0.000000 
1 1 1   -4    0    9 o   73.167   1.9476  5219.42  155.668  5219.13  163.009  5222.35  524.638   73.300   1.1463   73.034   3.7227 -0.000000 0.000000 
1 1 1   -4    0   10 o  186.342   1.9852 33192.16  599.190 32756.07  678.433 34738.62  1277.59  183.660   1.9034  189.025   3.4845 -0.000000 0.000000 
1 1 1   -4    0   11 o   36.826   3.5467  1534.01   66.077  1541.79   66.962  1246.07  407.609   39.827   0.8671   33.825   7.0402 -0.000000 0.000000 
1 1 1   -4    0   12 o  134.157   2.0211 17222.82  392.340 17087.63  429.160 17910.83  968.139  132.648   1.6673  135.665   3.6824 -0.000000 0.000000 
1 1 1   -4    0   13 o  372.449   2.3617 134654.41  1549.66 134558.20  1839.16 134889.80  2877.41  372.269   2.5453  372.629   3.9790 -0.000000 0.000000 
1 1 1   -4    0   14 o   50.004   2.8333  2759.99  107.345  2790.02  110.103  2183.06  482.591   53.582   1.0595   46.426   5.5666 -0.000000 0.000000 
1 1 1   -4    0   15 o   39.184   2.7990  1542.11  206.117  1380.02  292.531  1701.91  290.465   36.990   4.2154   41.377   3.6834 -0.000000 0.000000 
1 1 1   -4    0   16 o   72.268   0.9044  5074.71  126.771  5009.53  179.688  5139.30  178.878   71.805   1.2901   72.731   1.2679 -0.000000 0.000000 
1 1 1   -4    0   17 o   59.019   0.8633  3385.84   98.795  3307.69  139.663  3464.11  139.773   58.335   1.2346   59.702   1.2072 -0.000000 0.000000 
1 1 1   -4    0   18 o  141.273   1.3606 19386.35  372.948 19594.68  531.750 19184.65  523.210  142.020   1.9296  140.526   1.9188 -0.000000 0.000000 
1 1 1   -4    0   19 o  195.923   1.5394 37281.71  585.198 36392.63  820.636 38201.59  834.733  193.546   2.1849  198.301   2.1691 -0.000000 0.000000 
1 1 1   -4    0   20 o  108.569   1.2050 11447.86  253.720 11663.86  365.003 11245.91  352.929  109.559   1.7172  107.579   1.6910 -0.000000 0.000000 
1 1 1   -4    0   21 o   52.237   0.9218  2654.67   93.178  2649.55  135.774  2659.23  128.107   52.186   1.3423   52.289   1.2638 -0.000000 0.000000 
1 1 1   -4    0   22 o   49.538   0.9485  2391.50   90.856  2329.11  131.883  2447.84  125.345   48.916   1.3915   50.160   1.2892 -0.000000 0.000000 
1 1 1   -4    0   23 o   34.304   1.1220  1125.87   73.433  1310.92  115.462  1000.18   95.159   36.628   1.6313   31.979   1.5411 -0.000000 0.000000 
1 1 1   -4    0   24 o   36.303   1.1393  1287.35   79.096  1290.76  120.881  1284.80  104.595   36.328   1.7230   36.278   1.4910 -0.000000 0.000000 
1 1 1   -4    0   25 o   82.647   1.1045  6638.53  176.966  6775.86  255.148  6511.22  245.657   83.470   1.5760   81.825   1.5479 -0.000000 0.000000 
1 1 1   -4    0   26 o   18.315   2.4394  355.345   76.294  444.215  114.990  285.456  101.973   20.710   3.0555   15.919   3.8035 -0.000000 0.000000 
1 1 1   -4    0   27 o   40.039   1.2168  1589.81   92.738  1381.16  137.236  1765.16  125.810   37.543   1.8941   42.536   1.5282 -0.000000 0.000000 
1 1 1   -4    0   28 o   24.924   1.9226  621.968   89.777  678.302  135.247  577.592  120.037   25.942   2.7647   23.905   2.6724 -0.000000 0.000000 
1 1 1   -4    0   29 o   17.912   2.7671  355.089   83.905  366.509  125.333  345.815  112.949   18.097   4.0905   17.728   3.7277 -0.000000 0.000000 
1 1 1   -4    0   30 o   9.2446   3.3828  123.383   81.369   81.544  121.298  157.616  109.719   8.0934   4.7022   10.396   4.8645 -0.000000 0.000000 
1 1 1   -4    0   31 o   12.388   3.5659  212.304   83.640  231.376  127.228  197.788  110.997   12.878   5.2073   11.897   4.8729 -0.000000 0.000000 
1 1 1   -4    0   32 o   15.998   3.2592  310.913   88.596  387.073  132.813  249.848  118.923   18.321   4.2975   13.675   4.9011 -0.000000 0.000000 
1 1 1   -4    0   33 o   11.164   3.5423  175.653   86.960  265.196  133.027  108.836  114.912   13.766   5.2718   8.5620   4.7327 -0.000000 0.000000 
1 1 1   -4    0   34 o   42.643   1.3241  1781.31  108.144  1953.44  166.956  1656.89  141.947   44.372   1.9468   40.915   1.7951 -0.000000 0.000000 
1 1 1   -4    0   35 o   6.5790   3.0228   9.3725   91.282   47.185  140.225 -18.4347  120.250   7.3007   4.6169   5.8574   3.9032 -0.000000 0.000000 
1 1 1   -4    1    1 o  401.951   1.8554 156870.91  1447.67 156655.70  2042.95 157087.91  2051.71  401.674   2.6201  402.228   2.6277 -0.5534058 3.710768 
1 1 1   -4    1    2 o  192.038   1.6426 35803.02  612.317 35679.66  864.175 35927.39  867.730  191.706   2.3222  192.370   2.3237 -0.6643372 3.285164 
1 1 1   -4    1    3 o  432.100   1.8895 181277.91  1584.84 180776.50  2231.86 181787.91  2250.88  431.498   2.6645  432.703   2.6798 -1.204468 3.779010 
1 1 1   -4    1    4 o  100.020   1.0103  9709.34  196.137  9534.65  275.521  9888.83  279.277   99.108   1.4321  100.932   1.4254 -1.824074 2.020588 
1 1 1   -4    1    5 o  457.746   1.9421 203454.00  1725.49 204838.50  2462.83 202119.09  2418.22  459.274   2.7625  456.218   2.7306 3.056091 3.884250 
1 1 1   -4    1    6 o  194.721   1.6834 36819.21  636.290 37051.11  901.242 36588.74  898.463  195.333   2.3768  194.110   2.3844 1.222946 3.366747 
1 1 1   -4    1    7 o   82.017   1.6780  6534.06  267.136  6437.45  376.219  6632.29  379.376   81.406   2.3808   82.629   2.3652 -1.223228 3.355947 
1 1 1   -4    1    8 o  161.669   1.4479 25329.82  419.413 25533.40  757.645 25239.87  503.619  162.114   2.4076  161.224   1.6092 0.8900299 2.895849 
1 1 1   -4    1    9 o  153.071   1.1218 22749.21  333.336 22605.95  469.954 22894.25  472.877  152.586   1.5866  153.556   1.5864 -0.9699249 2.243676 
1 1 1   -4    1   10 o  209.774   1.2552 42726.00  511.125 42753.11  723.215 42698.94  722.467  209.840   1.7755  209.707   1.7748 0.1329803 2.510389 
1 1 1   -4    1   11 o   68.285   0.7690  4518.83  101.846  4345.03  140.580  4710.82  147.751   66.905   1.0824   69.664   1.0926 -2.759293 1.537983 
1 1 1   -4    1   12 o  343.277   1.4679 114381.20  978.051 113062.70  1369.49 115753.80  1397.28  341.259   2.0673  345.295   2.0846 -4.036621 2.935896 
1 1 1   -4    1   13 o  348.505   1.4033 117924.20  941.459 117975.00  1253.29 117858.30  1426.27  348.598   1.8521  348.413   2.1088 0.1851196 2.806671 
1 1 1   -4    1   14 o  201.354   1.1890 39373.86  453.819 39424.66  582.284 39295.26  724.310  201.525   1.4885  201.184   1.8547 0.3407135 2.378096 
1 1 1   -4    1   15 o  128.617   1.0144 16044.87  244.370 16005.53  307.383 16112.44  402.848  128.406   1.2332  128.828   1.6109 -0.4217377 2.028717 
1 1 1   -4    1   16 o   84.671   0.6983  6958.46  114.774  7027.10  163.243  6891.35  161.403   85.084   0.9884   84.259   0.9868 0.8258514 1.396661 
1 1 1   -4    1   17 o  201.954   1.0937 39597.48  428.731 40013.62  607.991 39185.91  604.658  203.009   1.5428  200.898   1.5505 2.111008 2.187310 
1 1 1   -4    1   18 o  117.227   0.8489 13341.75  193.171 13410.41  273.767 13273.67  272.605  117.528   1.2000  116.927   1.2010 0.6007843 1.697777 
1 1 1   -4    1   19 o   49.819   0.6209  2409.37   60.041  2443.84   85.039  2375.11   84.782   50.174   0.8731   49.463   0.8830 0.7107544 1.241775 
1 1 1   -4    1   20 o  124.716   0.8875 15102.24  214.840 15243.08  305.966 14965.27  301.737  125.290   1.2580  124.143   1.2521 1.146713 1.774944 
1 1 1   -4    1   21 o  115.472   0.8812 12950.92  197.521 12865.57  280.360 13035.03  278.324  115.094   1.2549  115.851   1.2376 -0.7565842 1.762497 
1 1 1   -4    1   22 f   96.516   0.8133  9046.48  152.336  9018.97  212.632  9075.49  218.353   96.366   1.1367   96.666   1.1636 -0.2999878 1.626691 
1 1 1   -4    1   23 o   69.811   0.7127  4732.13   96.562  4788.63  137.974  4677.90  135.188   70.219   1.0122   69.403   1.0035 0.8162460 1.425312 
1 1 1   -4    1   24 o   48.401   0.7082  2274.73   66.523  2295.70   95.309  2254.80   92.893   48.618   1.0099   48.183   0.9932 0.4345016 1.416420 
1 1 1   -4    1   25 o   62.002   0.7167  3734.12   86.261  3753.58  121.849  3714.57  122.133   62.164   1.0098   61.839   1.0174 0.3242531 1.433451 
1 1 1   -4    1   26 o  101.412   0.9353  9998.94  184.110 10055.37  258.921  9941.24  261.846  101.703   1.3115  101.121   1.3339 0.5816193 1.870679 
1 1 1   -4    1   27 o   19.134   1.5613  357.485   57.959  346.797   82.425  367.938   81.515   18.849   2.2527   19.419   2.1624 -0.5703449 3.122605 
1 1 1   -4    1   28 o   88.922   0.8800  7690.33  151.902  7719.79  214.869  7660.89  214.775   89.092   1.2424   88.751   1.2466 0.3411026 1.760039 
1 1 1   -4    1   29 f   20.959   1.4701  430.400   59.737  421.224   86.089  438.921   82.961   20.738   2.1386   21.179   2.0179 -0.4416904 2.940283 
1 1 1   -4    1   30 f   22.260   1.3542  485.696   58.505  484.174   81.985  487.274   83.514   22.226   1.9002   22.294   1.9298 -0.6766129E-01 2.708299 
1 1 1   -4    1   31 o   9.4685   2.4541   75.240   59.037   68.495   82.706   82.248   84.299   9.2362   3.4424   9.7008   3.4985 -0.4645834 4.908132 
1 1 1   -4    1   32 o   23.894   2.0256  578.871   93.942  587.242  132.536  570.420  133.174   24.078   2.8356   23.711   2.8934 0.3677711 4.051224 
1 1 1   -4    1   33 o   20.453   1.5746  418.746   62.403  455.399   90.087  384.935   86.523   21.327   2.1760   19.579   2.2765 1.747536 3.149231 
1 1 1   -4    1   34 o   31.801   1.0964  1005.57   67.443  943.505   97.426  1062.67   93.456   30.822   1.6283   32.780   1.4687 -1.958153 2.192842 
1 1 1   -4    1   35 o   23.610   1.8338  545.541   80.734  457.629   98.775  722.473  140.128   21.033   2.4193   26.187   2.7566 -5.154215 3.667692 
1 1 1   -4    2    1 o  159.756   1.1694 24846.32  358.132 24307.59  548.537 25246.56  472.808  158.240   1.7858  161.271   1.5103 -3.031174 2.338789 
1 1 1   -4    2    2 o  434.095   1.8957 182934.41  1597.22 184401.30  2281.39 181524.09  2236.88  435.801   2.6968  432.389   2.6650 3.411530 3.791447 
1 1 1   -4    2    3 o  109.307   0.8302 11597.22  176.153 11545.12  248.702 11649.67  249.536  109.060   1.1748  109.553   1.1734 -0.4926834 1.660391 
1 1 1   -4    2    4 o  400.607   1.8534 155734.59  1440.49 158442.09  2079.59 153237.20  1997.24  403.951   2.6521  397.264   2.5899 6.686584 3.706897 
1 1 1   -4    2    5 o  602.779   2.1689 352629.19  2534.40 348102.50  3484.45 357713.91  3693.00  598.684   2.9983  606.875   3.1348 -8.190796 4.337837 
1 1 1   -4    2    6 o  295.866   1.7655 85002.64  1013.93 85679.65  1443.54 84343.38  1424.49  297.028   2.5036  294.703   2.4901 2.324432 3.531067 
1 1 1   -4    2    7 o   35.869   1.8957  1252.35  131.747  1179.46  187.944  1322.77  184.735   34.839   2.7791   36.898   2.5792 -2.058842 3.791480 
1 1 1   -4    2    8 o  163.460   1.4602 25970.84  428.668 25903.17  769.063 26001.33  516.311  163.283   2.4264  163.637   1.6254 -0.3544617 2.920482 
1 1 1   -4    2    9 o  217.273   1.5351 46004.29  613.889 45363.29  1047.36 46339.75  757.683  216.093   2.4968  218.454   1.7867 -2.361038 3.070293 
1 1 1   -4    2   10 o  104.150   0.9422 10530.05  190.484 10508.82  268.387 10551.60  270.395  104.044   1.3289  104.256   1.3361 -0.2114792 1.884407 
1 1 1   -4    2   11 o  243.106   1.3195 57372.66  622.635 57899.18  886.044 56859.03  875.135  244.208   1.8691  242.005   1.8629 2.203308 2.638908 
1 1 1   -4    2   12 o  115.636   0.9266 13029.98  201.421 13185.15  255.637 12775.94  327.099  116.549   1.1299  114.723   1.4688 1.825996 1.853141 
1 1 1   -4    2   13 o  223.114   1.1970 48383.52  508.089 48618.50  657.059 48034.02  801.317  223.794   1.5125  222.435   1.8558 1.358414 2.394093 
1 1 1   -4    2   14 o  266.593   1.2884 69054.87  654.525 69291.23  849.061 68708.70  1027.54  267.163   1.6372  266.024   1.9898 1.138824 2.576777 
1 1 1   -4    2   15 o  144.041   1.0502 20079.63  284.085 19899.82  358.110 20384.90  466.595  143.177   1.2885  144.904   1.6588 -1.727219 2.100428 
1 1 1   -4    2   16 o  292.465   1.3578 82852.33  755.539 82065.68  973.889 84041.51  1197.40  290.736   1.7256  294.194   2.0967 -3.458374 2.715502 
1 1 1   -4    2   17 f  205.943   1.2308 41172.45  481.344 41134.14  619.384 41230.86  764.845  205.831   1.5502  206.055   1.9122 -0.2240601 2.461589 
1 1 1   -4    2   18 o  223.146   1.1376 48353.30  492.759 48679.67  699.778 48032.32  693.992  223.893   1.6101  222.399   1.6075 1.493469 2.275204 
1 1 1   -4    2   19 o  181.426   1.0709 31963.92  377.130 32075.32  535.025 31853.90  531.677  181.740   1.5166  181.112   1.5123 0.6280670 2.141723 
1 1 1   -4    2   20 o  128.061   0.9235 15931.47  229.391 15770.57  330.340 16081.31  318.784  127.435   1.3354  128.687   1.2761 -1.252350 1.847099 
1 1 1   -4    2   21 f  112.699   0.8490 12334.93  185.729 12349.82  263.200 12320.15  262.124  112.767   1.2024  112.631   1.1989 0.1353226 1.697960 
1 1 1   -4    2   22 f   75.640   0.7100  5555.49  104.244  5511.69  146.585  5600.31  148.278   75.339   1.0023   75.942   1.0058 -0.6031265 1.419985 
1 1 1   -4    2   23 o   54.040   0.6721  2835.52   70.492  2895.42  100.347  2777.16   99.047   54.604   0.9467   53.477   0.9541 1.126953 1.344116 
1 1 1   -4    2   24 o   77.000   0.7452  5758.16  111.383  5710.30  156.244  5807.62  158.827   76.675   1.0497   77.326   1.0581 -0.6501999 1.490499 
1 1 1   -4    2   25 o   62.451   0.7156  3787.85   86.745  3856.54  123.487  3720.93  121.880   63.010   1.0096   61.892   1.0144 1.118057 1.431210 
1 1 1   -4    2   26 o  101.601   0.9068 10034.44  178.849 10001.31  252.489 10067.81  253.376  101.433   1.2823  101.770   1.2826 -0.3365860 1.813657 
1 1 1   -4    2   27 o   73.646   0.7970  5271.65  113.929  5283.92  161.854  5259.60  160.396   73.731   1.1309   73.562   1.1233 0.1691589 1.593904 
1 1 1   -4    2   28 o   27.811   1.1535  752.018   62.145  686.179   86.087  823.661   89.802   26.540   1.6710   29.082   1.5907 -2.542490 2.307093 
1 1 1   -4    2   29 o   14.568   2.0735  220.048   57.342  138.207   81.791  299.155   80.413   11.678   3.4011   17.458   2.3729 -5.779928 4.147061 
1 1 1   -4    2   30 o   14.515   2.1111  216.508   57.498  198.605   80.222  235.421   82.455   13.870   3.0616   15.161   2.9075 -1.291468 4.222156 
1 1 1   -4    2   31 o   24.839   1.2856  605.467   61.959  627.409   89.169  584.983   86.156   25.274   1.8175   24.404   1.8187 0.8696442 2.571200 
1 1 1   -4    2   32 f   21.811   1.4222  471.261   60.174  492.042   86.974  452.181   83.339   22.272   2.0118   21.351   2.0108 0.9209633 2.844396 
1 1 1   -4    2   33 o   26.759   1.1876  704.731   61.348  738.986   92.572  677.906   81.919   27.316   1.7458   26.202   1.6106 1.114164 2.375295 
1 1 1   -4    2   34 o   29.583   1.4852  830.360   78.568  756.057   92.698  1019.89  148.048   27.549   1.7334   31.618   2.4122 -4.068953 2.970415 
1 1 1   -4    2   35 o   33.860   1.3884  1158.36   86.038  1152.72  105.491  1169.56  148.697   33.975   1.5995   33.746   2.2700 0.2296829 2.776897 
1 1 1   -4    3    1 o  220.086   1.6690 47017.77  712.991 46404.14  1000.18 47651.80  1016.67  218.626   2.3567  221.546   2.3640 -2.919403 3.338079 
1 1 1   -4    3    2 o  214.193   1.5396 44440.38  630.194 43985.84  819.974 45096.30  985.010  212.862   1.9844  215.524   2.3544 -2.661926 3.079152 
1 1 1   -4    3    3 o  129.808   0.9421 16355.92  237.391 16354.93  336.636 16356.89  334.813  129.804   1.3360  129.812   1.3287 -0.7873535E-02 1.884232 
1 1 1   -4    3    4 f  386.532   1.8383 145070.41  1379.33 144829.09  1944.42 145314.80  1956.99  386.208   2.5936  386.855   2.6060 -0.6462097 3.676682 
1 1 1   -4    3    5 o  223.089   1.6873 48324.00  730.692 48613.79  1035.52 48036.61  1031.21  223.755   2.3841  222.423   2.3884 1.332428 3.374626 
1 1 1   -4    3    6 f  174.757   1.6713 29657.15  566.946 29787.33  803.140 29527.86  800.431  175.139   2.3623  174.375   2.3647 0.7645569 3.342522 
1 1 1   -4    3    7 o  148.237   1.4290 21421.16  376.177 21145.05  686.711 21539.53  449.642  147.533   2.3978  148.942   1.5552 -1.409286 2.858022 
1 1 1   -4    3    8 o  109.331   1.3657 11503.89  248.020 11812.18  508.193 11407.50  284.160  110.266   2.3742  108.396   1.3505 1.870583 2.731434 
1 1 1   -4    3    9 o  160.208   1.4598 24975.87  416.019 24805.10  758.382 25049.37  497.565  159.796   2.4449  160.621   1.5958 -0.8244629 2.919597 
1 1 1   -4    3   10 o   98.491   0.9192  9416.67  175.742  9295.77  247.940  9538.73  249.136   97.856   1.3053   99.126   1.2947 -1.270706 1.838492 
1 1 1   -4    3   11 o  263.370   1.2414 67291.00  623.303 67083.81  807.945 67595.60  979.623  262.875   1.5833  263.865   1.9125 -0.9892578 2.482887 
1 1 1   -4    3   12 o   62.210   0.6459  3711.29   73.909  3619.23   90.458  3896.16  128.190   61.064   0.7631   63.356   1.0423 -2.292114 1.291827 
1 1 1   -4    3   13 o  140.453   1.0588 19207.30  284.045 19481.44  371.414 18821.06  440.854  141.666   1.3506  139.240   1.6310 2.426025 2.117653 
1 1 1   -4    3   14 o  105.124   0.9035 10742.70  177.634 10784.87  223.309 10670.06  293.122  105.407   1.0914  104.841   1.4403 0.5662384 1.807087 
1 1 1   -4    3   15 o  115.208   0.9548 12901.36  206.184 12948.89  260.014 12820.85  338.415  115.497   1.1597  114.920   1.5170 0.5776215 1.909540 
1 1 1   -4    3   16 o   89.366   0.8612  7736.99  142.600  7700.65  176.783  7804.66  241.268   89.068   1.0225   89.664   1.3862 -0.5955048 1.722478 
1 1 1   -4    3   17 o  112.198   0.9647 12228.93  201.702 12248.68  252.217 12193.89  335.957  112.328   1.1567  112.068   1.5443 0.2596741 1.929480 
1 1 1   -4    3   18 o  108.546   0.9669 11490.10  196.704 11635.90  248.613 11246.06  321.648  109.476   1.1699  107.616   1.5397 1.860771 1.933732 
1 1 1   -4    3   19 o   99.888   0.9209  9663.12  171.370  9600.06  213.781  9776.50  286.648   99.439   1.1075  100.338   1.4717 -0.8984909 1.841874 
1 1 1   -4    3   20 o   88.623   0.7523  7625.40  129.415  7520.88  182.389  7731.39  183.657   88.012   1.0676   89.235   1.0602 -1.223465 1.504599 
1 1 1   -4    3   21 o  133.569   0.9399 17328.33  243.702 17423.77  346.024 17234.40  343.285  133.934   1.3309  133.204   1.3276 0.7295685 1.879864 
1 1 1   -4    3   22 o  130.503   0.9445 16543.03  239.255 16332.75  336.680 16757.54  340.062  129.665   1.3376  131.340   1.3338 -1.675705 1.888986 
1 1 1   -4    3   23 o   61.574   0.6805  3682.37   81.330  3648.41  115.619  3715.63  114.426   61.293   0.9717   61.856   0.9530 -0.5627098 1.361049 
1 1 1   -4    3   24 o   77.370   0.7426  5814.27  111.528  5775.90  157.547  5852.83  157.901   77.114   1.0525   77.626   1.0479 -0.5120697 1.485176 
1 1 1   -4    3   25 o   38.344   0.7933  1427.10   59.009  1463.68   85.317  1393.54   81.704   38.814   1.1323   37.874   1.1113 0.9407730 1.586583 
1 1 1   -4    3   26 f  115.317   1.0239 12930.27  229.194 12735.29  322.054 13130.36  326.243  114.437   1.4498  116.198   1.4464 -1.761971 2.047876 
1 1 1   -4    3   27 o  109.381   1.0130 11638.32  215.083 11699.14  305.620 11578.64  302.746  109.663   1.4357  109.098   1.4295 0.5651855 2.026017 
1 1 1   -4    3   28 o   68.096   0.7874  4507.60  104.074  4587.06  148.085  4430.05  146.298   68.690   1.1106   67.503   1.1165 1.186432 1.574783 
1 1 1   -4    3   29 o   50.288   0.7923  2458.95   77.317  2528.33  111.262  2394.16  107.520   50.973   1.1244   49.603   1.1166 1.370098 1.584697 
1 1 1   -4    3   30 o   29.667   1.0326  853.624   59.227  921.994   88.773  798.778   79.510   30.728   1.4883   28.607   1.4318 2.120394 2.065198 
1 1 1   -4    3   31 o   11.079   2.6930   82.530   68.832   29.196   82.268  206.993  125.674   8.1219   3.3105   14.036   4.2484 -5.914333 5.385968 
1 1 1   -4    3   32 o   16.110   2.5016  267.465   72.128  247.333   87.281  310.826  128.091   15.343   3.0379   16.877   3.9753 -1.533525 5.003236 
1 1 1   -4    3   33 o   11.764   2.7186  152.752   74.452  192.650   88.033   52.529  139.527   13.332   3.3930   10.196   4.2486 3.136256 5.437189 
1 1 1   -4    3   34 o   14.414   2.8325  216.230   75.589  184.141   88.743  301.055  144.282   12.873   3.4717   15.954   4.4765 -3.080364 5.664985 
1 1 1   -4    3   35 o   13.268   2.3057  224.810   78.309  353.329   94.406 -58.6632  140.208   18.362   2.6486   8.1736   3.7749 10.18848 4.611383 
1 1 1   -4    4    1 o  349.739   1.7972 118748.00  1220.08 119595.60  1735.62 117920.10  1715.46  350.972   2.5475  348.505   2.5357 2.466736 3.594423 
1 1 1   -4    4    2 f   71.929   0.5845  5021.69   81.608  5040.50  115.659  5003.04  115.165   72.063   0.8268   71.795   0.8263 0.2682877 1.168956 
1 1 1   -4    4    3 o  144.138   1.1085 20233.14  305.455 20559.58  400.458 19778.99  472.345  145.535   1.4175  142.742   1.7047 2.792908 2.217042 
1 1 1   -4    4    4 o  177.699   1.5141 30781.16  509.797 31242.79  656.011 30077.32  810.029  179.394   1.8838  176.004   2.3709 3.389633 3.028185 
1 1 1   -4    4    5 o  204.829   1.6765 40735.32  666.545 41240.55  946.654 40238.57  938.670  206.088   2.3663  203.569   2.3754 2.519287 3.352902 
1 1 1   -4    4    6 o  247.063   1.7248 59281.74  827.221 59427.33  1172.12 59137.27  1167.63  247.365   2.4410  246.761   2.4376 0.6042023 3.449697 
1 1 1   -4    4    7 o   28.896   1.6115  886.909   36.605  731.672  168.262  894.621   37.503   27.434   3.1596   30.359   0.6364 -2.925364 3.223091 
1 1 1   -4    4    8 o  160.473   1.4620 25072.45  420.306 24853.67  756.282 25170.22  505.573  159.944   2.4358  161.003   1.6177 -1.058701 2.924064 
1 1 1   -4    4    9 o  130.750   1.4127 16520.31  317.392 16778.31  616.101 16427.10  370.313  131.424   2.4150  130.076   1.4666 1.348236 2.825417 
1 1 1   -4    4   10 o  126.742   1.0444 15594.62  256.934 15604.45  361.666 15584.61  365.078  126.782   1.4695  126.701   1.4844 0.8090210E-01 2.088751 
1 1 1   -4    4   11 o  270.532   1.2519 71097.13  646.410 71303.16  841.314 70800.21  1009.94  271.016   1.5992  270.047   1.9266 0.9692078 2.503827 
1 1 1   -4    4   12 o  188.969   1.1256 34604.16  403.679 34379.93  518.151 34950.43  643.896  188.195   1.4184  189.743   1.7482 -1.548798 2.251183 
1 1 1   -4    4   13 o  283.303   1.2956 77891.41  699.665 77773.55  907.098 78064.52  1099.33  283.045   1.6510  283.560   1.9972 -0.5158386 2.591215 
1 1 1   -4    4   14 o  226.054   1.2186 49684.22  524.011 49990.48  677.777 49229.15  826.195  226.926   1.5386  225.181   1.8901 1.745377 2.437190 
1 1 1   -4    4   15 o  108.433   0.9551 11341.61  194.544 11134.21  244.818 11696.98  320.461  107.099   1.1776  109.767   1.5040 -2.668716 1.910140 
1 1 1   -4    4   16 o   50.610   0.7070  2490.29   66.729  2500.71   83.573  2471.97  110.834   50.757   0.8482   50.463   1.1314 0.2939606 1.414078 
1 1 1   -4    4   17 o   85.968   0.8361  7239.02  134.370  7423.67  169.795  6929.60  219.792   87.450   1.0002   84.485   1.3402 2.964912 1.672293 
1 1 1   -4    4   18 o  127.772   1.0534 15894.33  252.443 16014.92  318.970 15692.17  412.987  128.431   1.2794  127.114   1.6737 1.316528 2.106707 
1 1 1   -4    4   19 o   60.757   0.7658  3628.89   86.267  3743.48  108.069  3427.61  143.227   62.098   0.8965   59.415   1.2418 2.682735 1.531618 
1 1 1   -4    4   20 o  162.592   1.1670 25749.13  358.199 25977.94  457.244 25385.63  576.314  163.547   1.4403  161.638   1.8367 1.908524 2.334094 
1 1 1   -4    4   21 o  136.557   1.1281 18064.51  288.304 17916.01  361.721 18323.14  477.375  135.809   1.3721  137.305   1.7911 -1.495880 2.256205 
1 1 1   -4    4   22 o  105.452   1.0178 10817.70  200.997 10856.33  253.143 10751.79  330.639  105.721   1.2335  105.183   1.6194 0.5386658 2.035649 
1 1 1   -4    4   23 o  117.511   1.0840 13440.86  239.167 13497.36  302.407 13346.50  390.812  117.863   1.3218  117.160   1.7184 0.7032089 2.167930 
1 1 1   -4    4   24 o   49.434   0.8725  2410.39   78.845  2486.58   97.274  2264.45  134.622   50.599   0.9904   48.269   1.4368 2.330082 1.745011 
1 1 1   -4    4   25 o   66.764   0.8693  4315.82  107.508  4279.79  133.141  4383.34  182.248   66.377   1.0333   67.152   1.3981 -0.7752762 1.738520 
1 1 1   -4    4   26 o   52.117   0.9265  2683.18   88.568  2777.96  109.766  2506.34  149.934   53.471   1.0575   50.762   1.5216 2.709339 1.852976 
1 1 1   -4    4   27 f   84.897   1.0578  7100.38  165.273  7299.75  205.145  6731.65  278.988   86.652   1.2196   83.142   1.7286 3.509514 2.115549 
1 1 1   -4    4   28 o   84.195   1.0501  6879.51  161.243  6838.89  196.550  6963.13  281.976   83.858   1.2074   84.531   1.7184 -0.6728897 2.100201 
1 1 1   -4    4   29 o   63.725   0.9622  3963.87  112.200  3978.97  137.549  3933.84  193.964   63.947   1.1081   63.503   1.5735 0.4444389 1.924495 
1 1 1   -4    4   30 o   19.339   1.9286  368.677   67.511  365.444   81.749  375.611  119.720   19.277   2.1847   19.402   3.1788 -0.1249275 3.857152 
1 1 1   -4    4   31 o   42.200   1.0782  1703.69   83.068  1631.15  100.554  1859.61  147.410   40.873   1.2673   43.527   1.7446 -2.653461 2.156363 
1 1 1   -4    4   32 o   27.599   1.5055  781.221   73.214  818.361   88.205  698.947  131.281   28.839   1.5756   26.358   2.5658 2.481049 3.010934 
1 1 1   -4    4   33 o   16.872   2.5263  309.602   74.686  316.170   88.634  293.522  138.692   17.651   2.5868   16.093   4.3401 1.557526 5.052571 
1 1 1   -4    4   34 o   19.649   2.3838  424.932   78.088  435.179   92.105  398.741  147.254   20.698   2.2924   18.600   4.1803 2.098021 4.767583 
1 1 1   -4    4   35 o   7.7977   2.4996 -21.1749   78.124   13.086   91.271 -115.0763  151.101   7.7312   3.3361   7.8643   3.7231 -0.1330667 4.999111 
1 1 1   -4    5    1 o  243.050   1.5431 57531.20  713.886 58301.21  926.317 56404.94  1120.29  245.065   1.9472  241.035   2.3943 4.029816 3.086178 
1 1 1   -4    5    2 o  337.564   1.7851 110634.30  1169.70 110709.90  1652.59 110558.40  1655.82  337.680   2.5211  337.448   2.5278 0.2313843 3.570125 
1 1 1   -4    5    3 o  104.799   0.7816 10657.99  158.989 10819.83  227.079 10502.36  222.675  105.579   1.1080  104.019   1.1028 1.560379 1.563265 
1 1 1   -4    5    4 o  122.914   1.1195 14665.35  267.089 14590.64  375.500 14741.85  379.982  122.598   1.5778  123.231   1.5885 -0.6334991 2.238925 
1 1 1   -4    5    5 o   26.349   1.8950  673.109   95.994  552.957  132.101  807.543  139.731   23.861   2.8520   28.838   2.4961 -4.976559 3.790090 
1 1 1   -4    5    6 o  144.899   1.4274 20437.85  367.806 20263.44  670.586 20512.89  439.874  144.442   2.3916  145.356   1.5589 -0.9145508 2.854869 
1 1 1   -4    5    7 o  205.403   1.4964 41104.85  564.994 40593.98  966.855 41369.76  696.241  204.406   2.4367  206.401   1.7377 -1.995422 2.992868 
1 1 1   -4    5    8 o  209.602   1.5089 42643.10  580.719 42756.57  999.784 42585.32  713.402  209.788   2.4551  209.415   1.7549 0.3725739 3.017792 
1 1 1   -4    5    9 o   48.706   1.5762  2313.79  148.300  2430.23  203.312  2181.41  216.792   50.023   2.0938   47.389   2.3567 2.633911 3.152428 
1 1 1   -4    5   10 o  124.591   1.0275 15069.38  248.497 15035.46  350.386 15103.70  352.480  124.450   1.4504  124.732   1.4558 -0.2820053 2.054964 
1 1 1   -4    5   11 o  291.670   1.2793 82635.20  712.868 82851.16  929.774 82327.18  1110.40  292.139   1.6395  291.201   1.9644 0.9376221 2.558673 
1 1 1   -4    5   12 o  116.392   1.0159 13144.67  228.730 13082.35  310.496 13218.61  338.227  116.091   1.3778  116.693   1.4931 -0.6017685 2.031705 
1 1 1   -4    5   13 o  180.049   1.1276 31487.31  384.273 31547.61  491.829 31392.80  615.686  180.274   1.4054  179.824   1.7638 0.4504852 2.255270 
1 1 1   -4    5   14 o  215.808   1.2151 45150.32  497.448 44917.09  638.132 45511.59  794.192  215.104   1.5283  216.512   1.8896 -1.408188 2.430291 
1 1 1   -4    5   15 o  128.369   1.0048 15894.15  241.582 15614.63  302.748 16384.12  400.828  126.828   1.2297  129.910   1.5895 -3.081169 2.009621 
1 1 1   -4    5   16 o  248.614   1.2997 59884.16  614.206 59385.51  790.368 60644.42  975.920  247.320   1.6463  249.909   2.0117 -2.589539 2.599473 
1 1 1   -4    5   17 o   36.988   0.7750  1326.30   52.820  1322.32   65.104  1333.96   90.355   36.908   0.9087   37.069   1.2557 -0.1601410 1.549987 
1 1 1   -4    5   18 o  205.186   1.2739 41087.63  495.961 41852.06  640.528 39943.17  783.733  207.597   1.5895  202.775   1.9911 4.821381 2.547703 
1 1 1   -4    5   19 o  149.108   1.1249 21603.26  314.637 21635.17  396.988 21549.35  515.972  149.268   1.3701  148.949   1.7845 0.3192902 2.249816 
1 1 1   -4    5   20 o  218.731   1.3783 46460.73  578.346 46279.86  761.130 46707.83  889.630  218.248   1.7966  219.214   2.0906 -0.9660187 2.756514 
1 1 1   -4    5   21 o  165.242   1.3507 26610.51  413.943 26774.37  515.245 26312.23  695.175  165.999   1.5990  164.484   2.1772 1.515152 2.701311 
1 1 1   -4    5   22 o   69.231   0.8525  4672.69  108.455  4709.90  133.660  4600.95  185.567   69.644   0.9887   68.818   1.3891 0.8262405 1.705018 
1 1 1   -4    5   23 o   57.016   0.9608  3158.55  106.320  3075.91  149.716  3242.64  151.012   56.263   1.3708   57.769   1.3466 -1.505844 1.921613 
1 1 1   -4    5   24 o   78.042   0.9421  5856.71  133.084  5750.94  160.631  6088.25  237.658   76.946   1.0754   79.138   1.5470 -2.191933 1.884116 
1 1 1   -4    5   25 o   38.489   0.9735  1473.14   68.659  1548.57   85.397  1335.22  115.464   39.925   1.1019   37.053   1.6053 2.871815 1.947078 
1 1 1   -4    5   26 o   49.783   0.9225  2414.40   84.111  2424.95  103.215  2393.53  145.120   49.958   1.0643   49.608   1.5070 0.3506851 1.844947 
1 1 1   -4    5   27 o   99.763   1.1571  9719.91  212.059  9786.19  261.205  9591.78  363.195  100.312   1.3414   99.214   1.8858 1.098213 2.314241 
1 1 1   -4    5   28 o   74.473   0.9991  5419.35  136.420  5464.26  167.768  5331.69  234.374   74.964   1.1529   73.982   1.6320 0.9824142 1.998154 
1 1 1   -4    5   29 f   8.4476   2.5269   11.141   67.107   11.006   81.015   11.434  119.782   7.6881   3.2231   9.2070   3.8925 -1.518946 5.053749 
1 1 1   -4    5   30 o   49.617   0.9879  2406.21   89.117  2413.10  108.568  2391.99  156.029   49.774   1.1237   49.460   1.6251 0.3138008 1.975770 
1 1 1   -4    5   31 o   27.880   1.4281  747.075   72.222  714.714   86.911  819.286  129.828   26.997   1.6584   28.762   2.3253 -1.765547 2.856123 
1 1 1   -4    5   32 o   14.172   2.5215  230.980   71.025  276.343   85.999  133.661  125.964   16.544   2.6779   11.800   4.2733 4.743680 5.043077 
1 1 1   -4    5   33 o   23.563   2.0514  651.708   75.785  762.414   91.460  409.179  135.372   27.753   1.6977   19.373   3.7352 8.380428 4.102869 
1 1 1   -4    5   34 o   32.995   1.4765  1166.36   83.135  1263.85   99.431  939.893  151.549   35.759   1.4324   30.231   2.5824 5.527739 2.953097 
1 1 1   -4    5   35 o   25.035   1.8797  664.851   80.758  674.572   95.153  639.815  152.708   25.830   1.8977   24.240   3.2453 1.589981 3.759412 
1 1 1   -4    6    1 o  157.600   1.1929 24072.88  361.541 23836.74  478.569 24386.81  551.809  156.703   1.5733  158.498   1.7935 -1.794662 2.385749 
1 1 1   -4    6    2 o   62.994   0.6194  3835.87   72.482  3905.72  122.220  3797.98   90.020   63.434   0.9926   62.554   0.7413 0.8802719 1.238859 
1 1 1   -4    6    3 o  392.287   1.8572 149409.50  1413.99 148452.80  1978.42 150408.50  2021.66  391.005   2.6066  393.569   2.6462 -2.564484 3.714373 
1 1 1   -4    6    4 o  317.593   1.7710 97901.42  1091.51 99671.27  1565.95 96228.97  1522.25  320.383   2.5179  314.803   2.4910 5.579559 3.541929 
1 1 1   -4    6    5 o  285.396   1.7528 79089.12  970.985 79914.05  1381.68 78284.18  1364.83  286.866   2.4812  283.926   2.4763 2.940186 3.505520 
1 1 1   -4    6    6 o  335.212   1.6552 109164.30  1055.81 109030.90  1666.21 109253.80  1364.78  335.017   2.5621  335.408   2.0962 -0.3909607 3.310341 
1 1 1   -4    6    7 o   66.171   1.3370  4330.83  120.857  4142.66  314.034  4363.54  130.943   65.296   2.4775   67.045   1.0061 -1.748161 2.674050 
1 1 1   -4    6    8 o  159.763   1.4676 24863.54  419.287 24598.54  756.474 24981.05  503.745  159.127   2.4490  160.400   1.6179 -1.272720 2.935132 
1 1 1   -4    6    9 o  204.480   1.2382 40597.66  491.481 40370.44  691.515 40829.59  698.658  203.902   1.7471  205.058   1.7552 -1.155853 2.476486 
1 1 1   -4    6   10 o   95.040   0.9053  8764.11  166.983  8565.99  233.089  8972.98  239.333   93.937   1.2783   96.143   1.2824 -2.205666 1.810654 
1 1 1   -4    6   11 f  216.092   1.1623 45284.18  477.418 45102.97  614.979 45559.02  757.393  215.552   1.4697  216.631   1.8011 -1.078812 2.324670 
1 1 1   -4    6   12 f  140.870   1.0161 19288.97  270.051 19373.20  344.012 19153.72  435.925  141.274   1.2544  140.467   1.5987 0.8069305 2.032120 
1 1 1   -4    6   13 o   25.042   2.4899  819.436   41.555  837.786   42.531  433.693  195.005   29.379   0.7458   20.706   4.9237 8.673552 4.979834 
1 1 1   -4    6   14 o  290.304   1.3218 81921.85  732.953 82394.95  956.292 81248.19  1141.14  291.329   1.6910  289.280   2.0321 2.049072 2.643685 
1 1 1   -4    6   15 f  224.679   1.2348 49009.94  527.342 49007.75  679.955 49013.25  835.352  224.680   1.5590  224.679   1.9153 0.7629395E-03 2.469613 
1 1 1   -4    6   16 o  340.121   1.4226 112528.90  925.790 113520.10  1213.77 111150.20  1431.55  341.929   1.8287  338.314   2.1798 3.615173 2.845285 
1 1 1   -4    6   17 o   68.775   0.7584  4592.55   97.220  4594.88  121.577  4588.42  161.912   68.801   0.9103   68.749   1.2132 0.5166626E-01 1.516785 
1 1 1   -4    6   18 o   49.981   0.7276  2432.39   67.850  2451.48   85.116  2399.12  112.374   50.253   0.8725   49.710   1.1645 0.5428848 1.455166 
1 1 1   -4    6   19 f  118.196   1.0403 13536.73  229.656 13458.59  287.521 13674.44  381.696  117.734   1.2581  118.658   1.6571 -0.9240189 2.080582 
1 1 1   -4    6   20 o   55.560   0.7917  3009.08   80.815  3034.01   99.586  2961.01  138.299   55.902   0.9177   55.218   1.2902 0.6842041 1.583329 
1 1 1   -4    6   21 o   71.114   0.8426  4861.51  109.838  4763.20  134.094  5061.98  191.477   70.039   0.9863   72.189   1.3664 -2.149460 1.685186 
1 1 1   -4    6   22 o   31.623   0.9847  982.846   56.035  1002.48   67.934  941.045   99.114   32.129   1.0892   31.117   1.6408 1.011549 1.969479 
1 1 1   -4    6   23 o   65.594   0.8287  4173.13  100.177  4159.23  123.482  4199.88  171.336   65.443   0.9720   65.745   1.3425 -0.3018646 1.657462 
1 1 1   -4    6   24 o  110.278   1.1025 11748.40  223.512 11594.47  274.154 12053.50  385.984  109.236   1.2929  111.321   1.7862 -2.084778 2.205014 
1 1 1   -4    6   25 o   25.252   1.4270  657.654   62.757  714.577   75.807  533.666  111.880   27.111   1.4404   23.393   2.4638 3.718639 2.853969 
1 1 1   -4    6   26 o   37.748   1.0486  1418.47   72.261  1489.33   89.517  1285.93  122.426   39.147   1.1780   36.349   1.7351 2.798420 2.097176 
1 1 1   -4    6   27 o   50.401   0.9459  2517.24   87.577  2624.83  108.940  2320.70  147.248   51.970   1.0799   48.832   1.5534 3.137379 1.891846 
1 1 1   -4    6   28 o   61.241   1.1102  3646.41  131.974  3646.41  131.974   0.0000   0.0000   61.241   1.1102  ?   ?       ?      ? 
1 1 1   -4    6   29 o   28.219   1.4374  777.700   73.538  774.301   89.208  784.906  129.903   28.166   1.6316   28.272   2.3670 -0.1059074 2.874816 
1 1 1   -4    6   30 o   33.440   1.2370  1099.18   75.744  1108.20   93.061  1081.48  130.373   33.693   1.4229   33.187   2.0238 0.5061531 2.473902 
1 1 1   -4    6   31 o   41.291   1.0852  1652.99   82.240  1619.20  100.565  1721.20  142.893   40.718   1.2723   41.863   1.7584 -1.145233 2.170420 
1 1 1   -4    6   32 o   15.258   2.5577  251.776   71.033  254.777   86.052  245.357  125.843   15.594   2.9508   14.922   4.1785 0.6724377 5.115356 
1 1 1   -4    6   33 o   21.888   2.0786  483.380   87.309  430.715  113.491  559.745  136.660   20.492   2.8531   23.283   3.0236 -2.791643 4.157236 
1 1 1   -4    6   34 o   16.747   2.5821  341.181   77.530  389.311   92.703  229.172  141.420   19.508   2.4480   13.985   4.5472 5.522570 5.164258 
1 1 1   -4    6   35 o   24.216   1.8286  556.411   80.488  460.278   95.525  791.720  149.452   21.115   2.3306   27.317   2.8184 -6.202322 3.657143 
1 1 1   -4    7    1 o  141.109   0.9887 19365.22  267.584 19572.69  353.206 19085.75  409.943  141.999   1.2814  140.219   1.5061 1.780151 1.977430 
1 1 1   -4    7    2 o  348.819   1.6469 118486.40  1097.18 120150.90  1434.35 116138.80  1703.42  351.791   2.1004  345.846   2.5373 5.945648 3.293883 
1 1 1   -4    7    3 o   86.859   0.7995  7319.70  131.728  7340.02  210.028  7306.52  169.128   86.958   1.2442   86.761   1.0042 0.1970596 1.598935 
1 1 1   -4    7    4 o  145.749   1.4615 20747.56  394.694 21045.21  491.732 20208.50  661.752  147.235   1.7205  144.264   2.3631 2.971054 2.923035 
1 1 1   -4    7    5 o  259.632   1.5787 65418.90  779.400 65654.59  1234.32 65262.61  1005.13  260.008   2.4455  259.256   1.9972 0.7518616 3.157466 
1 1 1   -4    7    6 o  156.743   1.4401 23898.03  403.763 23765.47  729.128 23956.65  484.899  156.410   2.4015  157.077   1.5903 -0.6669159 2.880280 
1 1 1   -4    7    7 o   85.269   1.3304  6984.59  173.177  7185.75  398.830  6937.85  192.246   86.001   2.3890   84.536   1.1715 1.464569 2.660801 
1 1 1   -4    7    8 o  152.472   1.1177 22572.51  330.807 22758.02  467.833 22387.00  467.831  153.099   1.5742  151.845   1.5872 1.253571 2.235427 
1 1 1   -4    7    9 o   82.452   0.8275  6599.71  132.444  6610.54  186.478  6588.68  188.141   82.521   1.1641   82.384   1.1765 0.1367111 1.655064 
1 1 1   -4    7   10 o  142.699   1.0997 19766.67  304.610 19526.78  428.724 20011.23  432.873  141.825   1.5573  143.573   1.5532 -1.748627 2.199411 
1 1 1   -4    7   11 o  242.938   1.3199 57295.39  622.443 57797.89  882.010 56796.83  878.536  243.999   1.8622  241.876   1.8711 2.122543 2.639842 
1 1 1   -4    7   12 o  187.269   1.1298 34016.33  400.964 33917.66  513.763 34170.10  641.313  186.925   1.4159  187.613   1.7609 -0.6876678 2.259567 
1 1 1   -4    7   13 o  169.806   1.1002 28007.87  353.206 28064.44  451.230 27918.36  567.560  170.031   1.3671  169.581   1.7241 0.4503174 2.200365 
1 1 1   -4    7   14 o  212.402   1.2069 43647.03  486.181 43102.91  622.423 44498.57  778.646  210.715   1.5217  214.089   1.8736 -3.373978 2.413705 
1 1 1   -4    7   15 o  137.441   1.0332 18293.31  267.147 18158.16  337.795 18518.98  436.511  136.768   1.2723  138.113   1.6281 -1.345352 2.066329 
1 1 1   -4    7   16 o  135.954   1.0728 17865.08  274.032 17633.20  345.358 18259.21  450.259  134.773   1.3201  137.135   1.6914 -2.362289 2.145574 
1 1 1   -4    7   17 o  158.072   1.1540 24227.58  343.763 24120.18  436.148 24403.73  558.561  157.618   1.4255  158.526   1.8151 -0.9083557 2.307960 
1 1 1   -4    7   18 o   72.848   0.8056  5198.52  109.169  5319.86  136.994  4987.39  180.703   74.026   0.9533   71.670   1.2989 2.356903 1.611188 
1 1 1   -4    7   19 o   50.148   0.7406  2446.14   69.012  2457.59   86.055  2425.49  115.522   50.315   0.8811   49.981   1.1907 0.3335571 1.481216 
1 1 1   -4    7   20 f  130.005   1.0617 16346.08  258.240 16155.00  323.604 16681.12  428.514  128.976   1.2925  131.033   1.6847 -2.056747 2.123391 
1 1 1   -4    7   21 o   51.250   0.7818  2537.69   74.225  2507.83   91.844  2593.90  126.027   50.822   0.9310   51.679   1.2563 -0.8567772 1.563637 
1 1 1   -4    7   22 o  101.183   0.9804  9942.71  185.182  9933.21  231.964  9959.39  307.492  101.130   1.1816  101.237   1.5647 -0.1070557 1.960740 
1 1 1   -4    7   23 o   53.865   0.8171  2871.40   81.774  3017.38  103.284  2626.17  133.867   55.741   0.9545   51.989   1.3265 3.752308 1.634219 
1 1 1   -4    7   24 o   96.606   0.9853  9131.25  176.622  9283.46  220.573  8859.28  294.856   97.755   1.1624   95.457   1.5912 2.297539 1.970575 
1 1 1   -4    7   25 o   63.925   0.8728  3900.81  101.688  3773.83  123.109  4173.48  180.403   62.330   1.0175   65.521   1.4184 -3.191826 1.745600 
1 1 1   -4    7   26 o   47.986   0.9550  2234.33   84.098  2225.36  103.191  2252.05  145.123   47.856   1.1108   48.115   1.5538 -0.2596893 1.910006 
1 1 1   -4    7   27 o   38.905   1.0682  1521.10   75.276  1620.86   93.020  1331.82  128.136   40.834   1.1735   36.977   1.7852 3.856926 2.136331 
1 1 1   -4    7   28 o   61.459   0.9561  3733.42  109.012  3885.22  137.044  3471.87  179.885   63.213   1.1168   59.706   1.5521 3.506504 1.912129 
1 1 1   -4    7   29 o   46.254   1.0193  2031.49   86.207  1931.85  104.363  2245.50  152.951   44.545   1.2069   47.962   1.6428 -3.417217 2.038504 
1 1 1   -4    7   30 o   58.531   0.9545  3299.63  102.717  3211.94  125.640  3476.38  178.373   57.420   1.1272   59.641   1.5407 -2.221397 1.909008 
1 1 1   -4    7   31 o   53.687   0.9805  2815.95   96.745  2810.01  118.989  2827.55  166.174   53.669   1.1421   53.706   1.5939 -0.3723145E-01 1.960904 
1 1 1   -4    7   32 o   25.896   1.6140  700.662   73.343  750.016   88.775  594.547  130.174   27.578   1.6583   24.214   2.7694 3.363745 3.227951 
1 1 1   -4    7   33 o   15.326   2.6521  246.032   74.499  217.876   90.440  305.468  131.402   14.175   3.3414   16.477   4.1194 -2.301797 5.304139 
1 1 1   -4    7   34 o   50.711   1.1131  2603.96  101.025  2694.87  122.636  2412.01  178.201   52.347   1.2069   49.075   1.8706 3.271576 2.226143 
1 1 1   -4    7   35 f   16.539   2.7569  324.077   82.890  328.326  100.213  314.872  147.492   17.248   3.1074   15.829   4.5548 1.418348 5.513859 
1 1 1   -4    8    1 o  202.356   1.2035 39751.35  472.754 39878.98  668.546 39623.71  668.606  202.681   1.6992  202.031   1.7049 0.6498413 2.407059 
1 1 1   -4    8    2 o  222.923   1.3519 48286.42  577.761 48510.14  760.519 47981.08  888.478  223.538   1.7526  222.307   2.0589 1.231354 2.703826 
1 1 1   -4    8    3 o  219.403   1.8150 46743.35  772.972 46639.98  1085.97 46849.50  1100.46  219.158   2.5527  219.648   2.5810 -0.4905243 3.630096 
1 1 1   -4    8    4 o  176.015   2.0891 30287.36  661.965 30621.06  800.917 29568.00  1175.94  177.579   2.3234  174.450   3.4726 3.129654 4.178162 
1 1 1   -4    8    5 o   41.744   1.5506  1686.94  123.020  1718.58  195.806  1666.30  158.126   42.064   2.3980   41.424   1.9664 0.6400032 3.101156 
1 1 1   -4    8    6 o  361.344   1.6891 126927.60  1162.93 126445.30  1826.87 127256.20  1507.90  360.734   2.6089  361.955   2.1461 -1.221375 3.378186 
1 1 1   -4    8    7 o  144.346   1.0977 20231.14  307.562 20237.96  433.870 20224.26  436.054  144.371   1.5482  144.322   1.5565 0.4920959E-01 2.195321 
1 1 1   -4    8    8 o  139.745   1.1411 18968.04  307.949 19029.02  415.330 18893.59  458.939  139.997   1.5283  139.492   1.6949 0.5044861 2.282179 
1 1 1   -4    8    9 o  181.178   1.1929 31870.73  419.518 31863.23  591.483 31878.34  595.110  181.157   1.6820  181.200   1.6919 -0.4258728E-01 2.385706 
1 1 1   -4    8   10 o  171.542   1.1804 28562.61  393.010 28222.52  550.903 28915.06  560.830  170.503   1.6645  172.582   1.6741 -2.079010 2.360715 
1 1 1   -4    8   11 o   79.487   1.5385  6133.39  237.371  6076.92  332.890  6191.81  338.569   79.115   2.1676   79.859   2.1840 -0.7442093 3.077081 
1 1 1   -4    8   12 o  390.334   1.4814 148180.70  1106.47 149484.00  1450.96 146369.50  1710.42  392.398   1.9049  388.270   2.2694 4.128906 2.962857 
1 1 1   -4    8   13 o  164.095   1.0767 26066.80  333.926 25823.31  425.193 26458.69  539.415  163.102   1.3430  165.089   1.6832 -1.987778 2.153311 
1 1 1   -4    8   14 o  199.532   1.1842 38555.56  447.997 38212.91  573.630 39091.36  717.311  198.403   1.4894  200.661   1.8415 -2.257874 2.368469 
1 1 1   -4    8   15 o  276.204   1.3222 73989.17  696.134 73648.95  901.884 74490.62  1094.92  275.428   1.6869  276.980   2.0364 -1.552429 2.644336 
1 1 1   -4    8   16 o  178.988   1.1633 31159.52  394.525 31358.93  506.558 30852.06  628.998  179.724   1.4520  178.252   1.8178 1.471741 2.326515 
1 1 1   -4    8   17 o  165.503   1.1522 26631.68  359.737 26744.59  458.152 26450.15  580.921  165.970   1.4221  165.037   1.8133 0.9329987 2.304410 
1 1 1   -4    8   18 o  112.516   0.9736 12294.60  205.578 12299.63  259.480 12286.13  336.917  112.553   1.1876  112.478   1.5431 0.7457733E-01 1.947198 
1 1 1   -4    8   19 o  144.796   1.1057 20369.16  300.806 20392.17  380.382 20330.74  491.451  144.916   1.3522  144.676   1.7499 0.2403107 2.211483 
1 1 1   -4    8   20 o  124.821   1.0646 15152.16  250.631 15209.64  319.046 15059.52  405.040  125.143   1.3134  124.500   1.6760 0.6434402 2.129260 
1 1 1   -4    8   21 o  122.917   1.0808 14620.31  249.875 14445.11  315.510 14915.10  409.260  121.948   1.3328  123.886   1.7018 -1.937706 2.161621 
1 1 1   -4    8   22 o   50.965   0.8200  2530.75   76.603  2547.39   94.122  2498.09  131.837   51.219   0.9467   50.710   1.3393 0.5093536 1.640090 
1 1 1   -4    8   23 o   91.530   0.9418  8149.09  160.438  8171.75  200.387  8108.62  267.780   91.722   1.1255   91.338   1.5103 0.3833084 1.883521 
1 1 1   -4    8   24 o   44.865   0.8888  1967.70   73.497  1994.55   91.005  1917.35  124.631   45.315   1.0346   44.414   1.4456 0.9011345 1.777636 
1 1 1   -4    8   25 o   95.879   1.0264  8938.60  183.121  8941.01  228.506  8934.29  306.147   95.920   1.2272   95.837   1.6456 0.8293915E-01 2.052841 
1 1 1   -4    8   26 o   44.837   0.9387  1939.76   77.198  1910.25   94.414  1999.27  134.090   44.338   1.0970   45.336   1.5237 -0.9973373 1.877468 
1 1 1   -4    8   27 o   20.881   1.6566  400.799   64.643  339.226   79.341  522.376  111.489   18.644   2.1922   23.119   2.4843 -4.474165 3.313272 
1 1 1   -4    8   28 o   57.207   0.9333  3169.24   98.831  3134.38  122.224  3235.08  167.980   56.776   1.1090   57.638   1.5014 -0.8616524 1.866530 
1 1 1   -4    8   29 o   37.708   1.0988  1341.96   76.391  1251.29   92.973  1530.37  134.023   35.837   1.3365   39.579   1.7444 -3.742085 2.197537 
1 1 1   -4    8   30 o   50.089   0.9836  2438.56   91.244  2414.09  112.944  2484.54  154.820   49.771   1.1690   50.407   1.5822 -0.6362000 1.967235 
1 1 1   -4    8   31 o   43.601   1.0357  1820.27   82.518  1744.56   99.995  1981.87  146.098   42.269   1.2187   44.932   1.6750 -2.663628 2.071443 
1 1 1   -4    8   32 o   47.368   1.0425  2178.14   90.030  2126.45  109.308  2287.17  158.752   46.605   1.2083   48.131   1.6991 -1.526726 2.084927 
1 1 1   -4    8   33 o   14.523   2.5048  253.787   73.109  316.302   88.931  123.450  128.409   17.627   2.5990   11.419   4.2828 6.208275 5.009670 
1 1 1   -4    8   34 o   34.853   1.3419  1170.11   84.903  1088.87  101.790  1355.88  153.915   33.114   1.5836   36.592   2.1668 -3.478840 2.683810 
1 1 1   -4    8   35 o   25.623   1.9083  670.897   85.963  641.272  101.270  747.280  162.610   25.061   2.0817   26.186   3.1990 -1.125273 3.816697 
1 1 1   -4    9    1 o  315.371   1.4510 96550.23  888.144 95804.82  1244.16 97324.75  1268.23  314.131   2.0403  316.612   2.0635 -2.480927 2.901905 
1 1 1   -4    9    2 o   71.380   0.7597  4939.31  105.040  5039.06  154.298  4853.16  143.398   72.051   1.1032   70.709   1.0447 1.341217 1.519375 
1 1 1   -4    9    3 o   98.488   1.0666  9416.42  203.904  9422.83  286.441  9409.85  290.326   98.522   1.4977   98.454   1.5191 0.6813812E-01 2.133286 
1 1 1   -4    9    4 o  261.795   2.4727 66608.63  1256.51 67128.54  1771.48 66082.20  1782.52  262.825   3.4722  260.764   3.5215 2.061035 4.945383 
1 1 1   -4    9    5 o  316.285   1.6452 97185.56  990.521 97093.74  1561.66 97247.37  1281.22  316.135   2.5448  316.434   2.0858 -0.2989807 3.290354 
1 1 1   -4    9    6 o  342.622   1.4968 114024.30  995.471 114547.00  1411.35 113506.80  1404.30  343.403   2.1172  341.841   2.1163 1.562622 2.993522 
1 1 1   -4    9    7 o   90.550   0.8584  7959.98  150.880  7949.57  213.638  7970.35  213.116   90.491   1.2162   90.609   1.2117 -0.1183167 1.716763 
1 1 1   -4    9    8 o  265.917   1.4539 68674.13  750.467 68769.63  1059.72 68578.05  1062.93  266.103   2.0515  265.731   2.0606 0.3716125 2.907728 
1 1 1   -4    9    9 o  127.085   1.0257 15675.86  253.001 15897.79  361.051 15461.74  354.630  127.969   1.4534  126.201   1.4476 1.767082 2.051348 
1 1 1   -4    9   10 o  314.773   1.5179 96179.80  927.317 95053.99  1297.17 97356.45  1326.16  312.890   2.1357  316.655   2.1575 -3.765717 3.035766 
1 1 1   -4    9   11 o  169.391   1.1916 27849.15  391.788 27454.69  549.541 28256.89  558.716  168.171   1.6834  170.610   1.6870 -2.439163 2.383237 
1 1 1   -4    9   12 o  366.483   1.4526 130376.40  1014.16 130286.80  1313.50 130508.60  1595.88  366.338   1.8471  366.629   2.2424 -0.2912598 2.905144 
1 1 1   -4    9   13 o  242.271   1.2447 56952.29  574.013 56827.28  741.856 57138.77  906.118  241.946   1.5796  242.597   1.9241 -0.6507263 2.489434 
1 1 1   -4    9   14 o  372.411   1.4259 134561.50  1014.62 134116.20  1321.76 135200.30  1583.12  371.673   1.8320  373.150   2.1856 -1.476624 2.851829 
1 1 1   -4    9   15 o  132.257   1.0279 17015.03  256.298 17126.50  326.284 16835.43  414.148  132.826   1.2655  131.687   1.6201 1.139816 2.055769 
1 1 1   -4    9   16 o   79.811   1.4917  6307.54  148.626  6345.58  158.425  6028.26  429.261   80.852   1.0094   78.769   2.8074 2.082512 2.983325 
1 1 1   -4    9   17 o  124.387   1.3809 15072.64  270.565 15105.32  304.166 14948.76  592.203  124.735   1.2562  124.040   2.4595 0.6955109 2.761721 
1 1 1   -4    9   18 o   35.233   0.7926  1208.80   51.637  1217.13   64.055  1193.34   87.263   35.408   0.9319   35.057   1.2823 0.3508568 1.585162 
1 1 1   -4    9   19 o  108.580   0.9874 11372.47  199.902 11181.07  249.044 11719.15  335.174  107.311   1.1955  109.849   1.5718 -2.537331 1.974849 
1 1 1   -4    9   20 o  150.275   1.1823 21998.00  337.685 22224.68  436.512 21660.17  532.898  151.258   1.4867  149.292   1.8388 1.966293 2.364627 
1 1 1   -4    9   21 o   99.071   0.9665  9536.10  178.112  9540.57  222.157  9528.05  298.008   99.115   1.1547   99.027   1.5503 0.8869934E-01 1.933033 
1 1 1   -4    9   22 o  101.536   0.9815 10058.92  185.862 10173.38  233.256  9859.87  307.606  102.344   1.1741  100.727   1.5732 1.617188 1.963021 
1 1 1   -4    9   23 o   80.356   0.8902  6275.50  132.674  6280.61  164.916  6266.12  223.374   80.414   1.0565   80.298   1.4330 0.1159821 1.780389 
1 1 1   -4    9   24 o   81.166   0.9404  6294.48  139.779  6089.00  170.008  6723.18  245.563   79.172   1.1062   83.161   1.5212 -3.989296 1.880864 
1 1 1   -4    9   25 o   44.667   0.9389  1986.70   77.273  2104.97   96.921  1780.39  128.015   46.547   1.0727   42.787   1.5413 3.760834 1.877812 
1 1 1   -4    9   26 o   32.195   1.1354  1009.87   67.534  1012.87   83.620  1004.26  114.524   32.276   1.3346   32.114   1.8371 0.1624298 2.270751 
1 1 1   -4    9   27 o   79.041   0.9547  6006.02  138.786  5862.08  169.891  6294.79  240.630   77.659   1.1270   80.423   1.5414 -2.763840 1.909425 
1 1 1   -4    9   28 o   26.132   1.4204  647.987   69.073  604.612   85.004  732.293  118.508   24.900   1.7586   27.365   2.2310 -2.464415 2.840771 
1 1 1   -4    9   29 o   39.416   1.0762  1531.60   77.485  1564.41   95.276  1467.51  133.159   40.081   1.2246   38.751   1.7702 1.330299 2.152466 
1 1 1   -4    9   30 o   49.421   0.9883  2385.24   89.410  2386.44  109.584  2382.86  154.640   49.488   1.1407   49.354   1.6141 0.1345482 1.976530 
1 1 1   -4    9   31 o   65.070   0.9702  4177.98  115.859  4255.63  143.048  4029.91  197.532   66.043   1.1158   64.097   1.5876 1.946381 1.940474 
1 1 1   -4    9   32 o   35.248   1.2567  1298.04   79.446  1452.08   99.217  1022.80  132.627   38.473   1.3285   32.022   2.1336 6.451340 2.513428 
1 1 1   -4    9   33 o   32.894   1.3275  1060.85   79.645  1029.73   96.672  1126.62  140.521   32.290   1.5423   33.498   2.1610 -1.207912 2.654954 
1 1 1   -4    9   34 o   20.114   2.3456  468.187   77.079  510.084   91.703  367.341  142.272   22.465   2.1028   17.762   4.1935 4.702814 4.691163 
1 1 1   -4    9   35 o   11.876   2.8934  169.384   84.429  208.752  101.076   78.507  153.568   13.325   3.7496   10.426   4.4077 2.898388 5.786842 
1 1 1   -4   10    1 o  180.163   1.0993 31479.96  381.231 31279.06  506.551 31742.41  578.959  179.503   1.4537  180.823   1.6494 -1.320221 2.198612 
1 1 1   -4   10    2 o  221.170   1.2347 47489.27  530.091 47896.36  750.824 47084.69  748.506  222.115   1.7414  220.224   1.7509 1.890381 2.469438 
1 1 1   -4   10    3 o  261.119   2.4747 66260.01  1254.18 66397.82  1759.30 66117.61  1788.42  261.398   3.4672  260.840   3.5321 0.5579834 4.949420 
1 1 1   -4   10    4 o  172.617   2.0845 29244.90  641.953 29708.23  772.117 28207.54  1155.33  174.894   2.2743  170.341   3.4940 4.552750 4.168968 
1 1 1   -4   10    5 f  211.064   2.1473 43326.83  832.745 43374.27  1024.42 43234.41  1429.82  211.287   2.4977  210.842   3.4935 0.4454346 4.294536 
1 1 1   -4   10    6 o  138.408   1.0780 18599.92  289.610 18406.89  408.069 18795.81  411.089  137.685   1.5268  139.132   1.5221 -1.447144 2.155904 
1 1 1   -4   10    7 o   60.847   0.6663  3593.45   78.695  3560.42  110.319  3627.67  112.289   60.563   0.9384   61.132   0.9462 -0.5692673 1.332647 
1 1 1   -4   10    8 o  166.962   1.1530 27060.03  373.643 26656.65  523.419 27479.18  533.549  165.694   1.6273  168.231   1.6338 -2.536697 2.305993 
1 1 1   -4   10    9 o  298.882   1.4938 86737.20  866.637 87431.90  1229.14 86050.42  1222.11  300.073   2.1101  297.692   2.1148 2.380371 2.987508 
1 1 1   -4   10   10 o  328.453   1.5302 104744.20  975.597 104701.50  1374.56 104787.50  1384.90  328.386   2.1563  328.521   2.1717 -0.1341248 3.060362 
1 1 1   -4   10   11 o  153.257   1.1581 22797.57  344.494 22585.44  482.940 23017.33  491.551  152.532   1.6311  153.983   1.6445 -1.451309 2.316175 
1 1 1   -4   10   12 o   56.374   0.7177  3080.60   78.484  2959.15  108.655  3213.09  113.488   55.214   1.0138   57.534   1.0161 -2.320335 1.435365 
1 1 1   -4   10   13 o  441.005   1.5099 188779.20  1281.35 188424.00  1702.67 189243.09  1945.77  440.537   1.9911  441.473   2.2705 -0.9357300 3.019846 
1 1 1   -4   10   14 o  243.077   1.2657 57335.04  585.502 57213.92  756.411 57516.09  924.786  242.763   1.6051  243.390   1.9574 -0.6265259 2.531351 
1 1 1   -4   10   15 o   83.521   0.8246  6744.30  128.182  6676.90  159.587  6866.84  215.181   82.937   0.9913   84.106   1.3180 -1.168419 1.649148 
1 1 1   -4   10   16 o  219.184   1.2553 46629.91  523.013 46559.43  674.189 46736.44  828.835  218.985   1.5860  219.382   1.9463 -0.3974152 2.510642 
1 1 1   -4   10   17 o  284.425   1.3785 78436.59  746.406 77884.38  963.738 79264.34  1179.93  283.195   1.7531  285.655   2.1279 -2.459961 2.757039 
1 1 1   -4   10   18 o   80.631   0.8389  6308.64  125.564  6299.99  156.140  6324.48  211.248   80.556   0.9985   80.705   1.3484 -0.1484985 1.677873 
1 1 1   -4   10   19 f  190.545   1.2428 35256.84  447.753 35217.42  571.659 35319.40  720.200  190.425   1.5465  190.665   1.9459 -0.2401886 2.485582 
1 1 1   -4   10   20 o  120.422   1.0732 14067.70  240.335 14018.50  299.373 14156.87  403.074  120.142   1.2837  120.702   1.7203 -0.5605240 2.146453 
1 1 1   -4   10   21 o   79.868   0.8599  6179.36  127.167  6142.10  157.482  6249.18  215.587   79.531   1.0201   80.205   1.3847 -0.6741409 1.719863 
1 1 1   -4   10   22 o   36.772   0.8848  1266.29   60.331  1165.27   73.756  1470.55  104.878   34.639   1.0969   38.905   1.3887 -4.266201 1.769679 
1 1 1   -4   10   23 o   36.102   0.9194  1267.63   61.666  1270.77   76.842  1261.96  103.353   36.170   1.0944   36.034   1.4776 0.1365318 1.838726 
1 1 1   -4   10   24 o  109.439   1.0941 11639.88  223.790 11627.89  280.776 11660.76  370.556  109.387   1.3223  109.491   1.7434 -0.1045227 2.188172 
1 1 1   -4   10   25 o   57.899   0.8747  3296.83   93.740  3392.55  117.113  3126.15  156.381   59.095   1.0209   56.703   1.4207 2.391602 1.749497 
1 1 1   -4   10   26 o   77.644   0.9631  5831.17  136.920  5769.45  167.361  5956.08  238.097   77.050   1.1190   78.238   1.5677 -1.188057 1.926103 
1 1 1   -4   10   27 o   39.564   1.0297  1547.23   75.102  1604.63   93.631  1443.66  125.761   40.626   1.1873   38.502   1.6826 2.124001 2.059346 
1 1 1   -4   10   28 o   21.693   1.6787  422.228   67.567  329.849   82.268  613.685  118.435   18.358   2.3085   25.028   2.4377 -6.670376 3.357352 
1 1 1   -4   10   29 f   42.498   1.0212  1806.24   79.791  1916.45   99.916  1612.22  132.566   44.369   1.1601   40.627   1.6809 3.741169 2.042385 
1 1 1   -4   10   30 o   36.815   1.1630  1284.38   78.282  1207.68   94.576  1451.27  139.504   35.170   1.3853   38.461   1.8685 -3.291042 2.326057 
1 1 1   -4   10   31 o   30.627   1.4868  924.290   88.022  812.877  120.725  1050.73  128.612   28.646   2.1711   32.609   2.0318 -3.963444 2.973510 
1 1 1   -4   10   32 o   75.606   1.0260  5502.76  140.955  5296.62  170.081  5954.84  251.877   73.551   1.1913   77.662   1.6708 -4.110794 2.051964 
1 1 1   -4   10   33 o   12.015   2.8455  139.673   75.243  102.464   92.067  214.510  130.569   10.240   3.6602   13.789   4.3579 -3.549091 5.691041 
1 1 1   -4   10   34 f   8.8716   2.6877   9.0794   76.464 -24.8772   91.171   89.606  140.399   7.0851   3.1822   10.658   4.3323 -3.572915 5.375443 
1 1 1   -4   10   35 o   39.822   1.2900  1565.19   93.206  1501.18  112.361  1706.41  166.893   38.805   1.4916   40.840   2.1051 -2.035744 2.580054 
1 1 1   -4   11    1 o   48.824   0.5641  2313.95   53.459  2302.07   76.036  2325.57   75.177   48.700   0.8043   48.948   0.7912 -0.2479324 1.128237 
1 1 1   -4   11    2 o  205.845   1.2120 41138.53  484.272 41704.10  686.523 40578.39  683.216  207.253   1.7064  204.436   1.7216 2.816895 2.424011 
1 1 1   -4   11    3 o  132.580   1.3678 17068.83  352.017 17060.26  499.540 17077.29  496.132  132.547   1.9415  132.613   1.9273 -0.6658936E-01 2.735657 
1 1 1   -4   11    4 o  182.639   2.4234 32421.52  858.925 31848.85  1196.88 33029.63  1233.34  180.979   3.4069  184.299   3.4474 -3.320236 4.846835 
1 1 1   -4   11    5 o  276.810   2.5251 74461.68  1355.79 72731.91  1873.65 76362.88  1964.31  273.446   3.5298  280.174   3.6117 -6.728119 5.050169 
1 1 1   -4   11    6 o  181.347   1.1769 31933.69  414.296 32100.85  585.557 31766.14  586.248  181.822   1.6590  180.871   1.6697 0.9509125 2.353810 
1 1 1   -4   11    7 o   71.037   0.7195  4896.62   99.197  5003.68  142.026  4794.66  138.609   71.795   1.0191   70.280   1.0160 1.515541 1.439023 
1 1 1   -4   11    8 o  247.501   1.3851 59538.62  662.020 60046.19  893.920 58922.12  985.197  248.677   1.8518  246.326   2.0604 2.350723 2.770270 
1 1 1   -4   11    9 o  131.121   1.1702 16685.99  297.805 17012.36  425.453 16372.48  416.993  132.377   1.6557  129.864   1.6542 2.513351 2.340391 
1 1 1   -4   11   10 o  337.290   1.4806 110451.20  966.831 110447.10  1319.81 110456.00  1420.32  337.287   2.0158  337.293   2.1693 -0.6225586E-02 2.961281 
1 1 1   -4   11   11 o  298.632   1.4047 86571.70  814.203 86015.55  1142.17 87146.31  1160.98  297.657   1.9767  299.607   1.9962 -1.949371 2.809329 
1 1 1   -4   11   12 o  219.329   1.3091 46694.17  557.310 47368.67  794.586 46041.08  781.880  220.888   1.8531  217.771   1.8496 3.117264 2.618212 
1 1 1   -4   11   13 o  165.100   1.2107 26544.16  374.434 26777.76  472.364 26149.21  614.193  166.086   1.4651  164.115   1.9279 1.971039 2.421479 
1 1 1   -4   11   14 o  302.723   1.3444 89041.49  777.771 89350.98  1015.38 88602.08  1209.87  303.369   1.7242  302.077   2.0633 1.292328 2.688876 
1 1 1   -4   11   15 o  281.207   1.3359 76882.92  717.627 77371.41  936.657 76188.65  1116.66  282.299   1.7093  280.115   2.0536 2.184143 2.671874 
1 1 1   -4   11   16 f  136.458   1.3675 18135.76  304.166 18180.87  346.508 17984.28  634.976  136.848   1.3044  136.069   2.4040 0.7796936 2.735079 
1 1 1   -4   11   17 o   34.374   0.7784  1126.96   50.424  1067.99   63.330  1229.09   83.340   33.168   0.9836   35.581   1.2066 -2.412125 1.556747 
1 1 1   -4   11   18 o   98.311   0.9257  9369.24  169.513  9330.46  211.544  9438.82  283.348   98.032   1.1116   98.589   1.4806 -0.5563812 1.851441 
1 1 1   -4   11   19 o  137.471   1.1135 18241.91  285.747 17950.39  356.637 18764.59  477.548  135.959   1.3513  138.983   1.7701 -3.023712 2.226921 
1 1 1   -4   11   20 o   88.621   0.9016  7659.53  148.772  7741.85  186.275  7514.54  247.225   89.290   1.0747   87.953   1.4480 1.337303 1.803265 
1 1 1   -4   11   21 o   34.813   0.8816  1175.20   57.020  1170.48   70.941  1183.83   95.843   34.718   1.0526   34.908   1.4144 -0.1900635 1.763122 
1 1 1   -4   11   22 o   79.402   0.9147  6099.28  134.197  6042.32  165.665  6208.00  228.867   78.876   1.0820   79.928   1.4751 -1.051880 1.829369 
1 1 1   -4   11   23 o   71.928   0.8441  5022.68  113.151  5014.38  141.408  5037.46  188.656   71.854   1.0138   72.001   1.3498 -0.1472244 1.688121 
1 1 1   -4   11   24 o   99.474   1.0525  9538.76  193.320  9363.42  237.965  9879.08  331.529   98.165   1.2488  100.784   1.6946 -2.619278 2.105024 
1 1 1   -4   11   25 o   83.886   0.9862  6857.60  152.982  6893.91  189.718  6790.11  258.672   84.227   1.1604   83.546   1.5950 0.6814194 1.972420 
1 1 1   -4   11   26 o   21.563   1.5629  446.915   62.257  432.438   76.452  475.414  107.266   21.068   1.8694   22.058   2.5052 -0.9892445 3.125772 
1 1 1   -4   11   27 o   54.676   0.9088  2888.89   91.960  2847.18  113.601  2968.20  156.626   54.123   1.0813   55.229   1.4609 -1.106037 1.817552 
1 1 1   -4   11   28 o   44.532   1.2095  1935.19  103.928  1924.10  155.468  1944.15  139.740   44.405   1.8036   44.660   1.6119 -0.2547073 2.418933 
1 1 1   -4   11   29 o   35.594   1.1488  1212.53   75.438  1161.14   92.311  1315.86  130.894   34.512   1.3779   36.677   1.8385 -2.164810 2.297532 
1 1 1   -4   11   30 o   27.272   1.4544  735.460   72.840  744.011   89.858  719.075  124.386   27.564   1.6794   26.979   2.3751 0.5848618 2.908825 
1 1 1   -4   11   31 o   55.641   0.9834  3046.09   99.667  3074.75  121.856  2988.17  173.232   56.124   1.1185   55.158   1.6179 0.9664497 1.966887 
1 1 1   -4   11   32 o   48.433   1.0362  2305.72   91.626  2302.79  111.999  2311.64  159.329   48.496   1.1897   48.371   1.6969 0.1251183 2.072392 
1 1 1   -4   11   33 o   24.210   1.8004  586.952   79.040  568.350   95.477  627.464  140.903   23.809   2.0658   24.611   2.9493 -0.8026142 3.600839 
1 1 1   -4   11   34 o   22.915   1.8984  515.294   79.465  461.505   95.383  637.324  143.668   21.263   2.3110   24.568   3.0125 -3.304998 3.796832 
1 1 1   -4   11   35 o   11.608   2.9599  149.466   81.610  138.963   99.342  171.269  143.125   11.085   3.8143   12.131   4.5271 -1.046215 5.919752 
1 1 1   -4   12    1 o  138.858   0.9130 18718.51  246.106 18658.67  347.313 18778.85  348.785  138.636   1.2906  139.081   1.2919 -0.4457092 1.826072 
1 1 1   -4   12    2 o  159.687   1.4075 25228.88  379.538 25726.86  441.516 23819.21  742.844  162.785   1.3972  156.589   2.4438 6.196243 2.815056 
1 1 1   -4   12    3 o  196.756   1.7261 37611.69  659.226 37812.34  929.619 37408.72  934.975  197.285   2.4274  196.227   2.4546 1.057861 3.452150 
1 1 1   -4   12    4 o  119.646   2.0120 14090.63  379.840 14220.34  428.059 13610.22  823.790  121.007   1.8223  118.285   3.5878 2.722534 4.024032 
1 1 1   -4   12    5 o  182.440   2.4662 32382.29  873.090 33064.28  1228.26 31685.74  1241.31  184.388   3.4316  180.491   3.5429 3.896484 4.932329 
1 1 1   -4   12    6 o  125.153   1.0141 15195.97  246.286 14711.63  343.107 15710.80  353.740  123.097   1.4359  127.209   1.4325 -4.111633 2.028267 
1 1 1   -4   12    7 o  215.514   1.3446 45165.83  557.542 45584.91  742.593 44624.36  844.091  216.669   1.7656  214.359   2.0285 2.310089 2.689281 
1 1 1   -4   12    8 o  370.297   1.5496 133147.70  1113.88 133923.50  1581.62 132384.20  1568.97  371.367   2.1940  369.228   2.1890 2.139954 3.099273 
1 1 1   -4   12    9 o  423.300   1.6140 173983.70  1326.18 173976.50  1870.71 173990.91  1880.32  423.291   2.2767  423.308   2.2883 -0.1657104E-01 3.227933 
1 1 1   -4   12   10 o  171.042   1.1995 28399.39  398.244 28578.92  565.065 28222.21  561.357  171.579   1.6966  170.505   1.6960 1.074127 2.398927 
1 1 1   -4   12   11 o  474.356   1.6961 218475.09  1561.68 218104.00  2197.01 218854.09  2220.28  473.950   2.3880  474.763   2.4092 -0.8126831 3.392141 
1 1 1   -4   12   12 o  159.455   1.1779 24682.52  364.566 24629.54  511.467 24737.24  519.781  159.281   1.6542  159.629   1.6774 -0.3474274 2.355874 
1 1 1   -4   12   13 o  135.844   1.0306 17793.45  262.219 17466.37  328.590 18366.98  435.119  134.139   1.2619  137.548   1.6296 -3.408966 2.061099 
1 1 1   -4   12   14 o  104.797   0.9483 10636.12  185.692 10569.16  232.590 10753.81  308.373  104.346   1.1483  105.248   1.5094 -0.9027176 1.896511 
1 1 1   -4   12   15 o  181.092   1.1824 31808.23  404.858 31701.91  516.602 31977.49  651.790  180.706   1.4727  181.477   1.8502 -0.7710876 2.364773 
1 1 1   -4   12   16 o   78.089   0.7937  5930.57  115.800  5960.48  145.428  5878.74  191.425   78.360   0.9561   77.817   1.2672 0.5429993 1.587434 
1 1 1   -4   12   17 o   63.756   0.7396  3928.21   88.073  3881.18  110.108  4011.76  146.746   63.231   0.8971   64.282   1.1760 -1.050945 1.479110 
1 1 1   -4   12   18 o   65.706   0.7564  4156.32   92.536  4070.29  114.981  4314.48  155.900   64.752   0.9148   66.661   1.2048 -1.909279 1.512711 
1 1 1   -4   12   19 f  189.280   1.2489 34872.75  448.208 35122.86  576.259 34489.74  713.109  190.160   1.5611  188.400   1.9499 1.760117 2.497826 
1 1 1   -4   12   20 o  177.923   1.2398 30730.77  416.023 30622.11  528.610 30907.60  674.337  177.536   1.5339  178.309   1.9482 -0.7721710 2.479574 
1 1 1   -4   12   21 o  129.286   1.1084 16240.21  267.971 16233.41  336.498 16252.00  443.051  129.270   1.3410  129.303   1.7651 -0.3277588E-01 2.216738 
1 1 1   -4   12   22 o   80.450   0.9981  6275.14  155.606  6066.07  212.663  6516.06  228.289   79.012   1.3865   81.887   1.4362 -2.874855 1.996259 
1 1 1   -4   12   23 o   70.197   0.8637  4839.40  112.792  4978.52  141.785  4599.60  186.146   71.596   1.0202   68.798   1.3938 2.798332 1.727303 
1 1 1   -4   12   24 o   64.676   0.8810  4113.59  106.200  4249.25  133.958  3884.08  174.242   66.140   1.0434   63.213   1.4200 2.927315 1.762090 
1 1 1   -4   12   25 o   36.296   1.0321  1272.28   69.055  1253.25   84.915  1309.45  118.662   35.909   1.2182   36.683   1.6664 -0.7744064 2.064179 
1 1 1   -4   12   26 o   26.375   1.2779  674.212   64.184  660.411   82.673  695.150  101.832   26.046   1.6351   26.705   1.9644 -0.6586666 2.555885 
1 1 1   -4   12   27 o   12.836   2.4453  133.232   65.847   50.090   81.294  291.830  112.278   8.7677   3.3793   16.904   3.5354 -8.135919 4.890675 
1 1 1   -4   12   28 o   57.799   0.9311  3253.66   98.755  3256.66  121.325  3247.75  170.001   57.867   1.0801   57.731   1.5170 0.1360168 1.862204 
1 1 1   -4   12   29 o   67.982   0.9763  4553.57  122.054  4659.95  151.198  4354.56  206.798   69.186   1.1258   66.779   1.5953 2.407021 1.952549 
1 1 1   -4   12   30 o   31.027   1.3346  947.302   73.791  950.694   88.447  939.535  133.845   31.189   1.4609   30.864   2.2340 0.3249836 2.669224 
1 1 1   -4   12   31 o   35.786   1.2310  1289.30   79.493  1343.65   97.298  1180.19  137.859   37.046   1.3530   34.525   2.0570 2.521145 2.462072 
1 1 1   -4   12   32 o   75.994   1.0298  5635.40  142.521  5553.46  173.224  5807.07  250.745   75.313   1.1849   76.675   1.6847 -1.361458 2.059614 
1 1 1   -4   12   33 o   23.603   1.8859  602.518   77.077  653.384   93.130  491.915  137.327   25.592   1.8746   21.614   3.2730 3.977602 3.771849 
1 1 1   -4   12   34 o   29.249   1.5914  897.475   81.906  939.296   98.739  805.208  146.660   30.694   1.6572   27.804   2.7173 2.889851 3.182728 
1 1 1   -4   13    1 o  254.149   1.4643 62743.25  720.720 62840.93  986.352 62631.35  1055.68  254.367   1.9976  253.930   2.1417 0.4369812 2.928671 
1 1 1   -4   13    2 o  139.930   1.0673 18984.40  278.282 18914.26  347.494 19109.81  464.657  139.578   1.2825  140.283   1.7063 -0.7046509 2.134582 
1 1 1   -4   13    3 o  120.074   1.8729 14301.95  259.317 14374.36  273.372 13651.61  819.264  121.682   1.1573  118.466   3.5626 3.215996 3.745863 
1 1 1   -4   13    4 o  146.518   2.0504 20946.69  502.449 21025.75  579.317 20706.65  1009.42  147.132   2.0284  145.904   3.5640 1.227600 4.100784 
1 1 1   -4   13    5 o   96.219   1.0343  8941.05  180.812  8854.86  219.394  9123.54  319.239   95.505   1.1834   96.933   1.6966 -1.427406 2.068550 
1 1 1   -4   13    6 o  113.268   1.0340 12462.75  226.497 12377.67  334.514 12534.77  307.783  112.909   1.5262  113.627   1.3954 -0.7174149 2.067978 
1 1 1   -4   13    7 o  217.646   1.3559 45991.78  568.342 45952.46  757.586 46042.38  859.550  217.546   1.7940  217.746   2.0336 -0.2003326 2.711770 
1 1 1   -4   13    8 o   60.902   0.6876  3600.38   81.252  3467.56  114.441  3735.39  115.380   59.769   0.9864   62.034   0.9582 -2.265423 1.375130 
1 1 1   -4   13    9 o  227.344   1.2972 50178.88  572.476 50443.55  808.245 49912.41  810.969  227.946   1.8266  226.743   1.8425 1.203720 2.594471 
1 1 1   -4   13   10 o  272.633   1.4338 72163.93  755.063 72187.79  1018.59 72134.83  1124.96  272.687   1.9243  272.579   2.1261 0.1070557 2.867589 
1 1 1   -4   13   11 o  290.426   1.6679 81724.12  896.268 81326.44  1109.32 82471.73  1521.00  289.427   1.9745  291.424   2.6887 -1.997101 3.335801 
1 1 1   -4   13   12 f  179.262   1.2581 31191.78  437.764 30789.21  613.769 31608.63  624.557  178.085   1.7755  180.439   1.7831 -2.354034 2.516290 
1 1 1   -4   13   13 o  227.421   1.3509 50204.73  596.308 50905.47  850.679 49527.76  836.123  228.981   1.9138  225.861   1.9071 3.119598 2.701775 
1 1 1   -4   13   14 o  332.076   1.3794 107118.50  876.327 107359.90  1146.58 106779.30  1358.92  332.536   1.7762  331.616   2.1110 0.9207153 2.758892 
1 1 1   -4   13   15 o  144.936   1.0805 20407.98  295.606 20452.32  376.621 20336.83  477.064  145.146   1.3367  144.726   1.6981 0.4200897 2.161090 
1 1 1   -4   13   16 o   29.310   0.8323  822.453   46.303  782.272   58.921  887.332   74.872   28.387   1.0693   30.232   1.2758 -1.845066 1.664625 
1 1 1   -4   13   17 o  293.858   1.3943 84034.84  783.071 84750.21  1023.95 83027.02  1215.34  295.391   1.7857  292.326   2.1417 3.064453 2.788525 
1 1 1   -4   13   18 o  139.023   1.1186 18738.96  291.617 18650.71  367.211 18889.65  479.843  138.591   1.3649  139.455   1.7726 -0.8638763 2.237197 
1 1 1   -4   13   19 o  162.896   1.1775 25756.50  361.728 25688.33  459.645 25867.42  586.279  162.630   1.4560  163.162   1.8511 -0.5313873 2.355064 
1 1 1   -4   13   20 o   42.387   0.7968  1697.73   62.232  1603.52   75.839  1891.97  108.890   40.638   0.9614   44.136   1.2710 -3.497665 1.593607 
1 1 1   -4   13   21 o   38.818   0.8374  1450.63   61.257  1411.59   77.318  1516.43  100.394   38.126   1.0447   39.510   1.3090 -1.384441 1.674756 
1 1 1   -4   13   22 o   73.614   0.8426  5274.20  115.290  5299.32  143.815  5229.02  192.864   73.869   1.0029   73.359   1.3543 0.5097733 1.685278 
1 1 1   -4   13   23 o  146.005   1.2889 20653.21  352.908 20422.93  443.781 21049.37  582.062  144.941   1.5773  147.068   2.0388 -2.126862 2.577740 
1 1 1   -4   13   24 o   38.972   0.9620  1481.02   69.632  1493.00   86.863  1459.49  116.477   39.201   1.1415   38.743   1.5488 0.4583511 1.923959 
1 1 1   -4   13   25 o   43.974   0.9081  1893.54   74.740  1933.69   94.507  1826.49  122.121   44.610   1.0914   43.337   1.4517 1.272747 1.816139 
1 1 1   -4   13   26 o   22.237   1.5480  483.888   64.136  487.357   80.318  477.784  106.546   22.365   1.8500   22.110   2.4825 0.2548828 3.096006 
1 1 1   -4   13   27 o   48.045   0.9226  2201.91   82.095  2107.02  100.870  2388.08  141.286   46.556   1.1162   49.535   1.4693 -2.979202 1.845205 
1 1 1   -4   13   28 o   27.758   1.3789  777.556   68.934  825.150   84.674  684.012  118.709   29.098   1.4991   26.418   2.3148 2.679893 2.757858 
1 1 1   -4   13   29 o   56.989   0.9834  3092.49  101.178  2971.08  121.296  3370.16  183.443   55.240   1.1312   58.737   1.6089 -3.497917 1.966727 
1 1 1   -4   13   30 o   44.415   1.0383  1931.04   83.334  1935.66  100.966  1921.15  147.602   44.557   1.1673   44.273   1.7175 0.2834396 2.076606 
1 1 1   -4   13   31 o   35.008   1.1995  1164.01   76.794  1086.89   92.713  1332.54  137.060   33.295   1.4345   36.720   1.9228 -3.424610 2.398960 
1 1 1   -4   13   32 o   35.854   1.1929  1234.20   80.374  1136.83  100.115  1410.74  134.808   33.980   1.5178   37.728   1.8407 -3.747303 2.385761 
1 1 1   -4   13   33 o   27.517   1.5697  741.566   78.465  701.775   94.437  830.274  141.005   26.529   1.8338   28.505   2.5483 -1.975935 3.139498 
1 1 1   -4   13   34 o   11.756   2.8312  156.241   76.422  172.650   92.241  120.321  136.474   12.348   3.6163   11.165   4.3573 1.183372 5.662482 
1 1 1   -4   14    1 o  168.404   1.1872 27561.73  373.720 27622.42  469.293 27456.50  617.883  168.669   1.4333  168.139   1.8931 0.5298462 2.374495 
1 1 1   -4   14    2 o   11.207   0.8912  123.894   18.412  128.530   22.952  115.526   30.838   11.507   1.0276   10.908   1.4564 0.5986214 1.782404 
1 1 1   -4   14    3 o  136.072   1.0293 18058.72  256.907 18228.90  316.143 17727.83  440.828  137.029   1.1885  135.116   1.6807 1.912384 2.058500 
1 1 1   -4   14    4 o  214.078   2.2032 44567.38  861.285 44607.85  1052.86 44485.50  1497.48  214.278   2.5312  213.877   3.6069 0.4007721 4.406431 
1 1 1   -4   14    5 o   93.143   0.9054  8448.39  156.317  8510.64  194.488  8334.79  262.723   93.633   1.0700   92.654   1.4607 0.9789581 1.810722 
1 1 1   -4   14    6 o   80.343   0.8363  6271.49  130.277  6141.59  187.602  6392.48  181.053   79.539   1.2150   81.148   1.1494 -1.609207 1.672546 
1 1 1   -4   14    7 o  280.621   1.6481 76483.90  880.675 76428.65  1387.19 76521.20  1139.84  280.521   2.5475  280.721   2.0917 -0.2002869 3.296188 
1 1 1   -4   14    8 o  257.195   1.4011 64157.26  695.295 63624.45  931.705 64826.94  1044.53  255.996   1.8749  258.395   2.0824 -2.399216 2.802114 
1 1 1   -4   14    9 o  312.345   1.5193 94715.45  921.164 95585.21  1307.07 93857.16  1298.42  313.770   2.1460  310.921   2.1513 2.849457 3.038624 
1 1 1   -4   14   10 o  152.361   1.1460 22535.92  338.932 22760.61  478.886 22310.40  479.760  153.122   1.6111  151.600   1.6303 1.522263 2.292051 
1 1 1   -4   14   11 o  362.810   1.5242 127875.20  1072.34 129561.10  1488.96 126058.40  1545.67  365.299   2.0998  360.321   2.2098 4.978058 3.048341 
1 1 1   -4   14   12 f  310.865   1.4458 93825.91  872.450 93788.34  1232.61 93863.62  1235.05  310.803   2.0430  310.927   2.0463 -0.1245422 2.891570 
1 1 1   -4   14   13 o  345.553   1.4882 115930.90  998.194 115216.50  1401.48 116666.50  1422.06  344.473   2.0959  346.633   2.1134 -2.159729 2.976447 
1 1 1   -4   14   14 o  295.375   1.3418 84750.95  757.383 84950.45  988.502 84467.36  1178.60  295.805   1.7215  294.945   2.0586 0.8597107 2.683504 
1 1 1   -4   14   15 o  183.676   1.1846 32898.22  413.005 33454.23  533.477 32066.45  652.489  185.629   1.4805  181.724   1.8497 3.905487 2.369209 
1 1 1   -4   14   16 o  121.381   1.0179 14326.96  232.574 14395.90  295.222 14214.18  377.592  121.771   1.2489  120.990   1.6077 0.7813339 2.035817 
1 1 1   -4   14   17 o  143.186   1.1230 19796.54  301.475 19478.70  378.507 20348.04  498.587  141.633   1.3767  144.738   1.7746 -3.104813 2.245980 
1 1 1   -4   14   18 o  121.523   1.0323 14278.27  236.298 14086.12  298.946 14598.22  385.763  120.446   1.2786  122.601   1.6209 -2.155083 2.064513 
1 1 1   -4   14   19 o  127.779   1.0733 15889.69  257.023 15974.68  324.196 15745.88  421.710  128.254   1.3022  127.305   1.7065 0.9488144 2.146578 
1 1 1   -4   14   20 o   49.489   0.7699  2367.61   70.565  2343.02   87.317  2413.91  119.810   49.124   0.9157   49.854   1.2380 -0.7301598 1.539860 
1 1 1   -4   14   21 o  133.878   1.1098 17365.81  277.786 17228.10  348.079 17607.35  460.990  133.171   1.3465  134.586   1.7645 -1.415024 2.219591 
1 1 1   -4   14   22 o   57.754   0.8040  3178.62   85.128  3060.79  103.554  3424.23  149.505   56.141   0.9502   59.367   1.2973 -3.225582 1.608096 
1 1 1   -4   14   23 o  100.562   1.0366  9910.77  195.820 10167.55  249.207  9496.36  316.596  102.297   1.2550   98.826   1.6503 3.471603 2.073284 
1 1 1   -4   14   24 o   81.376   0.9442  6417.95  142.140  6376.61  175.842  6495.88  241.438   81.016   1.1181   81.736   1.5217 -0.7207794 1.888312 
1 1 1   -4   14   25 o   63.520   0.8801  3827.05  102.463  3647.86  124.369  4205.64  180.776   61.275   1.0456   65.765   1.4161 -4.490231 1.760257 
1 1 1   -4   14   26 o   37.391   1.0463  1362.07   72.511  1366.32   90.121  1354.27  122.108   37.487   1.2384   37.294   1.6867 0.1930504 2.092533 
1 1 1   -4   14   27 o   59.396   0.9069  3459.67  100.592  3538.75  126.864  3325.75  165.087   60.336   1.0832   58.456   1.4549 1.879971 1.813800 
1 1 1   -4   14   28 o   51.395   0.9619  2589.79   89.774  2621.61  109.498  2524.56  156.796   51.912   1.0866   50.877   1.5876 1.035572 1.923870 
1 1 1   -4   14   29 o   53.216   0.9867  2829.08   95.490  2967.41  117.845  2564.60  162.949   55.207   1.0996   51.226   1.6387 3.981125 1.973468 
1 1 1   -4   14   30 o   34.039   1.2251  1105.16   76.855  1042.45   93.688  1234.18  134.388   32.650   1.4782   35.427   1.9541 -2.777214 2.450258 
1 1 1   -4   14   31 o   22.494   1.6866  494.064   69.986  470.391   85.610  541.761  121.517   21.788   2.0241   23.199   2.6983 -1.410982 3.373126 
1 1 1   -4   14   32 o   37.688   1.1447  1352.52   80.015  1246.14   97.905  1566.50  138.854   35.607   1.4165   39.770   1.7986 -4.163502 2.289406 
1 1 1   -4   14   33 o   30.124   1.5576  934.483   83.217  964.662  100.371  868.125  148.837   31.171   1.6588   29.077   2.6369 2.094101 3.115292 
1 1 1   -4   14   34 o   10.274   2.7741  102.255   77.447  131.338   92.343   33.281  142.208   10.948   3.6787   9.5996   4.1533 1.348310 5.548204 
1 1 1   -4   15    1 o  103.560   1.0314 10384.54  206.265 10148.12  276.545 10680.96  309.662  102.237   1.3935  104.883   1.5210 -2.646568 2.062768 
1 1 1   -4   15    2 o  210.979   1.2817 43296.78  508.370 43515.01  644.080 42936.16  827.946  211.699   1.5673  210.259   2.0285 1.439896 2.563475 
1 1 1   -4   15    3 o  161.379   1.2106 25310.54  373.049 25413.89  486.189 25162.60  581.708  161.786   1.5481  160.971   1.8616 0.8145294 2.421206 
1 1 1   -4   15    4 o   76.074   1.9772  5300.80  123.032  5269.19  125.825  5989.33  587.257   73.677   0.8798   78.471   3.8553 -4.794174 3.954376 
1 1 1   -4   15    5 o   79.436   0.8004  6150.87  117.779  6211.25  146.520  6040.61  198.000   79.992   0.9436   78.881   1.2931 1.110870 1.600768 
1 1 1   -4   15    6 o   28.125   0.3810  767.979   20.794  755.579   29.604  780.055   29.214   27.901   0.5466   28.349   0.5309 -0.4483185 0.7619640 
1 1 1   -4   15    7 o  409.861   1.7969 162359.80  1390.70 166455.91  2257.34 159854.00  1765.56  413.981   2.8090  405.740   2.2417 8.241180 3.593810 
1 1 1   -4   15    8 o  226.141   1.3791 49656.23  600.072 49699.33  797.731 49600.04  910.705  226.258   1.8163  226.024   2.0757 0.2345428 2.758140 
1 1 1   -4   15    9 o  263.002   1.4228 67175.21  722.790 67380.09  975.551 66925.88  1076.20  263.450   1.9076  262.554   2.1116 0.8962708 2.845657 
1 1 1   -4   15   10 o   82.848   0.8815  6658.56  141.729  6471.80  197.659  6856.18  203.333   81.653   1.2470   84.043   1.2464 -2.389832 1.763091 
1 1 1   -4   15   11 o  327.350   1.5107 104006.10  956.491 103613.20  1297.40 104473.90  1415.69  326.678   2.0459  328.022   2.2233 -1.344482 3.021405 
1 1 1   -4   15   12 o  180.774   1.2670 31726.13  444.603 31724.16  626.852 31728.13  630.693  180.768   1.7864  180.779   1.7972 -0.1104736E-01 2.534019 
1 1 1   -4   15   13 o  102.337   1.0821 10157.69  214.791  9940.69  296.917 10395.93  311.101  101.191   1.5116  103.482   1.5487 -2.290573 2.164103 
1 1 1   -4   15   14 o   76.928   0.7892  5781.85  113.496  5886.93  143.140  5603.92  186.259   77.877   0.9469   75.979   1.2629 1.897568 1.578413 
1 1 1   -4   15   15 o  211.705   1.2637 43553.86  508.300 43687.93  655.367 43351.46  805.252  212.124   1.5916  211.287   1.9633 0.8371277 2.527415 
1 1 1   -4   15   16 o  101.598   0.9227 10045.78  176.475 10121.47  224.189  9922.47  286.145  102.106   1.1311  101.090   1.4582 1.016617 1.845443 
1 1 1   -4   15   17 o   23.070   1.0046  516.007   44.167  512.588   57.156  521.075   69.586   22.976   1.2815   23.164   1.5476 -0.1873417 2.009275 
1 1 1   -4   15   18 o   84.063   0.8541  6865.77  133.526  6877.04  166.550  6845.49  223.399   84.164   1.0194   83.961   1.3707 0.2023697 1.708213 
1 1 1   -4   15   19 o  161.699   1.2092 25458.38  369.169 25636.47  471.176 25175.24  594.109  162.454   1.4941  160.944   1.9016 1.509766 2.418393 
1 1 1   -4   15   20 o  165.240   1.2436 26605.21  386.189 26812.22  489.404 26263.58  628.704  166.122   1.5177  164.357   1.9706 1.765579 2.487257 
1 1 1   -4   15   21 o   66.671   0.8276  4262.41  101.494  4150.74  124.187  4487.03  176.126   65.380   0.9785   67.963   1.3350 -2.583084 1.655228 
1 1 1   -4   15   22 f   88.349   0.9604  7561.23  156.165  7511.97  192.087  7657.27  268.198   87.941   1.1252   88.756   1.5567 -0.8150940 1.920759 
1 1 1   -4   15   23 o   39.847   0.9510  1603.03   69.299  1752.09   87.171  1347.04  114.236   42.471   1.0573   37.223   1.5810 5.248825 1.901974 
1 1 1   -4   15   24 o   80.670   0.9427  6313.68  142.339  6282.23  178.764  6368.16  235.277   80.411   1.1452   80.929   1.4977 -0.5182343 1.885354 
1 1 1   -4   15   25 o   82.692   0.9546  6618.49  146.483  6548.79  181.682  6747.97  247.621   82.092   1.1401   83.291   1.5315 -1.198929 1.909288 
1 1 1   -4   15   26 o   16.286   2.0887  242.900   62.508  159.264   77.904  394.057  104.732   12.502   3.1974   20.069   2.6884 -7.566525 4.177379 
1 1 1   -4   15   27 o   61.342   0.9271  3637.58  104.416  3590.40  127.913  3731.82  180.768   60.773   1.0843   61.912   1.5041 -1.139732 1.854186 
1 1 1   -4   15   28 o   54.305   0.9534  2901.78   95.155  2965.91  117.748  2781.06  161.551   55.212   1.0986   53.398   1.5586 1.814152 1.906863 
1 1 1   -4   15   29 o   30.415   1.3270  904.407   73.228  900.693   88.904  912.242  129.132   30.369   1.5081   30.461   2.1839 -0.9169769E-01 2.653970 
1 1 1   -4   15   30 o   27.885   1.4259  734.434   71.995  683.682   86.068  852.692  131.381   26.408   1.6790   29.362   2.3050 -2.954473 2.851707 
1 1 1   -4   15   31 o   41.203   1.0812  1677.57   81.774  1697.88  100.841  1638.56  139.748   41.654   1.2471   40.752   1.7666 0.9015045 2.162442 
1 1 1   -4   15   32 o   29.797   1.3878  877.582   76.070  865.610   93.471  901.064  130.907   29.611   1.6261   29.982   2.2493 -0.3707199 2.775508 
1 1 1   -4   15   33 o   14.257   2.8061  235.039   76.623  245.786   90.069  206.887  145.775   15.040   3.1843   13.474   4.6215 1.565984 5.612275 
1 1 1   -4   15   34 f   15.068   2.8197  248.895   79.327  212.073   95.660  329.970  141.945   13.623   3.5731   16.512   4.3629 -2.889030 5.639329 
1 1 1   -4   16    1 o  165.956   1.1693 26719.20  362.267 26659.39  453.627 26824.50  601.911  165.708   1.4102  166.203   1.8656 -0.4943848 2.338666 
1 1 1   -4   16    2 o   40.264   0.4946  1591.78   35.715  1622.11   43.165  1525.94   63.595   40.880   0.5439   39.649   0.8263 1.231537 0.9892569 
1 1 1   -4   16    3 o  201.219   1.7471 39319.20  682.278 38605.19  953.967 40066.86  976.190  199.350   2.4652  203.088   2.4762 -3.738037 3.494107 
1 1 1   -4   16    4 o   18.015   2.3969  315.697   81.390  240.917  108.395  412.355  123.235   15.432   3.6717   20.598   3.0821 -5.166265 4.793829 
1 1 1   -4   16    5 o   60.409   0.6877  3541.62   80.627  3500.09  112.889  3584.86  115.192   60.048   0.9685   60.771   0.9765 -0.7227135 1.375308 
1 1 1   -4   16    6 o  376.659   1.7534 137553.00  1255.74 138901.41  1991.81 136663.59  1617.75  378.167   2.7133  375.151   2.2215 3.015167 3.506701 
1 1 1   -4   16    7 o   68.149   0.7595  4510.13  100.381  4452.38  144.459  4564.06  139.587   67.726   1.0988   68.571   1.0487 -0.8444672 1.518911 
1 1 1   -4   16    8 o  319.114   2.1351 98626.30  1157.41 99461.71  2283.12 98337.35  1342.73  319.974   3.6758  318.254   2.1735 1.720795 4.270269 
1 1 1   -4   16    9 o  157.120   1.1659 23962.23  355.543 23807.41  498.341 24122.73  507.410  156.604   1.6393  157.637   1.6582 -1.033340 2.331725 
1 1 1   -4   16   10 o  158.784   1.1718 24475.36  361.190 24568.81  511.804 24382.65  509.801  159.086   1.6573  158.482   1.6571 0.6038208 2.343668 
1 1 1   -4   16   11 o  171.420   1.2071 28526.83  401.648 28498.38  566.143 28555.66  569.908  171.334   1.7022  171.506   1.7118 -0.1718750 2.414114 
1 1 1   -4   16   12 o  125.198   1.0869 15216.20  264.154 15372.25  374.527 15061.72  372.621  125.837   1.5332  124.560   1.5411 1.277603 2.173877 
1 1 1   -4   16   13 o   53.322   0.7321  2760.19   75.761  2746.04  108.079  2773.86  106.229   53.188   1.0468   53.457   1.0237 -0.2689133 1.464156 
1 1 1   -4   16   14 o  355.455   1.5342 122678.80  1058.42 121701.10  1481.61 123697.70  1512.54  354.010   2.1560  356.900   2.1832 -2.889771 3.068366 
1 1 1   -4   16   15 o  136.969   1.0516 18058.34  270.831 17606.36  340.808 18832.90  446.151  134.668   1.3037  139.270   1.6503 -4.601776 2.103118 
1 1 1   -4   16   16 o  268.239   1.3489 69898.48  690.242 69943.27  896.874 69833.43  1081.01  268.363   1.7216  268.115   2.0770 0.2479248 2.697797 
1 1 1   -4   16   17 o   50.947   0.7218  2510.53   68.662  2486.03   85.832  2554.06  114.424   50.605   0.8738   51.290   1.1493 -0.6843224 1.443696 
1 1 1   -4   16   18 o  138.516   1.1156 18623.75  288.994 18591.96  362.819 18678.94  477.987  138.368   1.3508  138.665   1.7758 -0.2976074 2.231135 
1 1 1   -4   16   19 o   88.295   0.8913  7503.73  145.278  7357.37  178.717  7788.87  249.441   87.046   1.0577   89.545   1.4350 -2.499458 1.782693 
1 1 1   -4   16   20 o  111.072   1.0273 11907.83  213.197 11704.61  266.339 12270.29  355.704  109.775   1.2499  112.368   1.6307 -2.593040 2.054610 
1 1 1   -4   16   21 o  109.265   1.0669 11696.51  218.417 11979.73  276.797 11229.16  355.566  111.050   1.2840  107.480   1.7042 3.570084 2.133799 
1 1 1   -4   16   22 o   46.423   0.8108  2114.36   70.038  2169.91   87.987  2018.30  115.707   47.269   0.9589   45.577   1.3078 1.692280 1.621694 
1 1 1   -4   16   23 o   93.141   0.9763  8413.47  169.820  8366.32  212.589  8496.60  282.292   92.798   1.1801   93.485   1.5556 -0.6863937 1.952586 
1 1 1   -4   16   24 o   73.819   0.9026  5271.88  122.791  5220.08  151.122  5372.54  210.647   73.303   1.0620   74.335   1.4598 -1.032074 1.805271 
1 1 1   -4   16   25 o   38.102   1.0143  1382.12   71.653  1316.54   88.076  1510.46  123.218   36.803   1.2328   39.401   1.6110 -2.597370 2.028620 
1 1 1   -4   16   26 o   53.612   0.9128  2809.34   91.037  2846.43  113.938  2743.85  151.395   54.118   1.0846   53.105   1.4686 1.013432 1.825692 
1 1 1   -4   16   27 o   21.076   1.7635  450.506   66.981  481.603   82.533  390.502  114.645   22.218   1.9137   19.934   2.9627 2.283529 3.527032 
1 1 1   -4   16   28 o   36.920   1.2602  1326.51   90.119  1251.53  122.598  1414.64  132.921   35.792   1.7645   38.048   1.7997 -2.255951 2.520403 
1 1 1   -4   16   29 o   31.777   1.3267  988.896   75.922  987.257   91.639  992.483  135.573   31.794   1.4848   31.760   2.1990 0.3391457E-01 2.653383 
1 1 1   -4   16   30 o   19.123   2.1276  377.964   70.316  387.386   84.848  357.302  125.645   19.797   2.2079   18.450   3.6376 1.347744 4.255179 
1 1 1   -4   16   31 o   6.6968   2.1993 -69.5925   67.377 -36.8583   82.834 -133.5918  115.824   6.6525   3.0064   6.7410   3.2108 -0.8851385E-01 4.398613 
1 1 1   -4   16   32 o   32.404   1.3332  1029.48   78.072  1005.43   94.092  1082.62  139.876   31.938   1.5177   32.869   2.1922 -0.9311790 2.666313 
1 1 1   -4   16   33 o   10.327   2.7066  101.747   75.883  145.647   92.111   9.0265  133.866   11.534   3.6619   9.1207   3.9868 2.412922 5.413288 
1 1 1   -4   16   34 o   20.514   2.1056  421.358   77.950  377.478   92.598  528.085  144.412   19.066   2.5019   21.962   3.3874 -2.895588 4.211199 
1 1 1   -4   17    1 f  107.451   0.9485 11194.88  191.061 11154.38  240.550 11264.08  314.470  107.192   1.1561  107.711   1.5040 -0.5185852 1.896980 
1 1 1   -4   17    2 o   63.551   0.7531  3920.22   92.905  3981.96  132.035  3859.69  130.750   64.047   1.0620   63.056   1.0682 0.9910316 1.506296 
1 1 1   -4   17    3 o  193.977   1.3974 36528.36  526.046 36055.08  734.318 37027.29  753.952  192.687   1.9632  195.266   1.9891 -2.579208 2.794747 
1 1 1   -4   17    4 o  176.372   1.7183 30276.65  586.199 31069.96  802.259 29367.94  858.630  178.862   2.3106  173.882   2.5438 4.979538 3.436577 
1 1 1   -4   17    5 o  168.282   1.2408 27551.19  398.513 27811.38  519.473 27179.05  621.251  169.255   1.5811  167.310   1.9128 1.944641 2.481699 
1 1 1   -4   17    6 o  221.390   1.6081 47288.25  679.010 46025.00  876.360 49185.72  1074.05  217.722   2.0736  225.058   2.4585 -7.335587 3.216162 
1 1 1   -4   17    7 o  118.332   1.0702 13611.59  244.885 13367.07  360.810 13820.44  333.445  117.344   1.5840  119.320   1.4396 -1.975212 2.140449 
1 1 1   -4   17    8 o  121.862   1.0978 14420.24  258.720 14363.81  382.427 14467.86  351.320  121.641   1.6196  122.083   1.4825 -0.4414139 2.195612 
1 1 1   -4   17    9 o  280.008   1.8016 75836.90  932.935 77094.22  1587.77 75173.92  1152.96  281.755   2.9030  278.260   2.1345 3.495544 3.603277 
1 1 1   -4   17   10 f  417.680   1.6446 169393.80  1333.35 169264.70  1876.33 169525.59  1895.08  417.520   2.3151  417.840   2.3364 -0.3200684 3.289152 
1 1 1   -4   17   11 o  129.758   1.1083 16343.27  279.143 16193.85  391.811 16497.28  397.794  129.156   1.5628  130.361   1.5720 -1.204254 2.216615 
1 1 1   -4   17   12 o  153.030   1.1849 22731.85  351.953 23059.93  501.167 22412.60  494.375  154.119   1.6752  151.941   1.6762 2.178619 2.369758 
1 1 1   -4   17   13 o  221.831   1.3504 47777.78  581.498 47736.01  821.034 47819.82  823.698  221.734   1.9075  221.928   1.9120 -0.1943665 2.700801 
1 1 1   -4   17   14 o  250.674   1.4105 61019.56  686.359 61343.45  971.588 60696.90  969.732  251.338   1.9914  250.010   1.9982 1.328445 2.821050 
1 1 1   -4   17   15 o  137.262   1.0654 18309.72  275.111 18360.87  348.716 18225.40  447.706  137.522   1.3063  137.001   1.6835 0.5202789 2.130820 
1 1 1   -4   17   16 f   75.448   0.8065  5492.86  113.478  5407.42  141.451  5647.13  190.078   74.633   0.9764   76.263   1.2840 -1.630333 1.613020 
1 1 1   -4   17   17 o  265.806   1.3900 68502.45  703.126 67963.27  907.078 69314.13  1112.94  264.521   1.7665  267.090   2.1466 -2.569153 2.780016 
1 1 1   -4   17   18 o  127.579   1.0795 15915.15  259.821 16278.71  332.589 15345.83  416.197  129.472   1.3233  125.685   1.7059 3.786819 2.158988 
1 1 1   -4   17   19 o   30.922   0.9786  927.627   58.684  985.768   84.517  873.503   81.545   31.857   1.3667   29.987   1.4009 1.869410 1.957119 
1 1 1   -4   17   20 o  145.645   1.1451 20670.47  314.404 20852.89  400.452 20377.31  507.645  146.507   1.4081  144.782   1.8063 1.724792 2.290251 
1 1 1   -4   17   21 o   97.794   0.9815  9234.22  178.060  9098.21  220.562  9488.75  301.725   96.782   1.1740   98.807   1.5731 -2.025002 1.962904 
1 1 1   -4   17   22 o   90.648   0.9720  7947.02  163.507  7857.68  202.787  8113.03  276.426   89.939   1.1615   91.357   1.5587 -1.418777 1.943906 
1 1 1   -4   17   23 o   58.200   0.8344  3333.60   90.484  3452.09  114.180  3133.55  148.355   59.617   0.9866   56.783   1.3459 2.834133 1.668810 
1 1 1   -4   17   24 o  101.952   1.0570 10162.46  201.078 10309.50  252.727  9908.82  331.934  102.991   1.2641  100.913   1.6945 2.077293 2.114068 
1 1 1   -4   17   25 o   38.418   0.9613  1444.01   69.103  1469.25   87.257  1401.54  113.175   38.881   1.1561   37.955   1.5361 0.9260788 1.922550 
1 1 1   -4   17   26 o   16.914   2.0936  269.406   65.586  201.680   82.921  382.566  107.185   14.065   3.1188   19.764   2.7938 -5.698510 4.187203 
1 1 1   -4   17   27 o   51.177   0.9415  2535.00   89.106  2503.73  110.043  2594.55  151.851   50.742   1.1172   51.613   1.5156 -0.8710136 1.882901 
1 1 1   -4   17   28 o   23.071   1.6849  519.646   70.486  513.659   85.387  532.452  124.880   22.913   1.9197   23.229   2.7695 -0.3157578 3.369772 
1 1 1   -4   17   29 o   29.382   1.3855  818.804   73.035  775.601   86.880  922.886  134.850   28.163   1.5892   30.602   2.2701 -2.439112 2.771079 
1 1 1   -4   17   30 o   34.364   1.2308  1192.16   77.040  1262.64   95.570  1061.37  130.189   35.933   1.3701   32.795   2.0451 3.138138 2.461606 
1 1 1   -4   17   31 f   36.740   1.1739  1332.43   78.945  1334.89   96.834  1327.56  136.324   36.889   1.3523   36.592   1.9192 0.2970657 2.347767 
1 1 1   -4   17   32 o   29.580   1.4984  884.985   78.388  898.798   93.857  853.130  142.534   30.159   1.6032   29.001   2.5319 1.158564 2.996767 
1 1 1   -4   17   33 o   31.597   1.4415  995.198   82.076  978.274   98.890  1032.67  147.143   31.378   1.6236   31.816   2.3825 -0.4381771 2.883082 
1 1 1   -4   17   34 o   17.014   2.6250  329.402   80.441  319.435   98.428  349.447  139.586   17.037   3.0900   16.991   4.2444 0.4589653E-01 5.250064 
1 1 1   -4   18    1 o  145.869   1.1073 20523.80  300.359 20199.18  373.041 21122.18  506.466  144.245   1.3323  147.492   1.7690 -3.246552 2.214524 
1 1 1   -4   18    2 o   95.184   0.9825  8794.83  181.531  8912.73  257.960  8679.17  255.504   95.816   1.3869   94.552   1.3921 1.263817 1.965039 
1 1 1   -4   18    3 o  100.769   0.9073  9840.87  170.977  9796.08  214.471  9918.97  283.210  100.457   1.0998  101.080   1.4434 -0.6234436 1.814640 
1 1 1   -4   18    4 o  196.180   1.5696 37170.92  579.891 36561.23  732.864 38191.88  948.356  194.051   1.9456  198.309   2.4636 -4.258728 3.139157 
1 1 1   -4   18    5 o  214.957   1.6303 44736.18  663.502 44282.62  847.193 45455.72  1067.07  213.562   2.0436  216.352   2.5408 -2.789810 3.260645 
1 1 1   -4   18    6 o  186.730   1.1902 33839.56  431.171 33579.32  598.349 34120.65  621.867  185.984   1.6574  187.475   1.7088 -1.491898 2.380497 
1 1 1   -4   18    7 o   80.094   0.8440  6223.15  131.014  6290.40  191.283  6163.73  179.810   80.501   1.2241   79.687   1.1624 0.8142471 1.688080 
1 1 1   -4   18    8 o   71.227   0.7717  4922.94  106.567  4953.34  154.777  4895.54  146.946   71.436   1.1162   71.018   1.0659 0.4177780 1.543373 
1 1 1   -4   18    9 o  327.292   1.6308 103974.00  1031.87 104390.10  1531.39 103628.00  1396.48  327.886   2.4060  326.698   2.2020 1.188141 3.261574 
1 1 1   -4   18   10 o  170.020   1.4137 28127.50  449.191 27835.35  741.807 28296.64  564.441  169.315   2.2570  170.726   1.7031 -1.411804 2.827499 
1 1 1   -4   18   11 o   56.464   0.6711  3091.58   73.475  3156.16  106.920  3033.80  101.139   57.022   0.9659   55.906   0.9320 1.116051 1.342224 
1 1 1   -4   18   12 o  151.223   1.2006 22201.05  352.434 22033.08  496.769 22371.28  500.081  150.647   1.6988  151.799   1.6971 -1.151810 2.401230 
1 1 1   -4   18   13 o  197.288   1.3181 37785.59  504.758 38284.24  718.839 37300.57  708.935  198.572   1.8649  196.004   1.8633 2.567566 2.636194 
1 1 1   -4   18   14 o   81.678   0.8989  6464.65  142.333  6702.22  207.787  6254.63  195.365   83.089   1.2883   80.267   1.2538 2.821877 1.797717 
1 1 1   -4   18   15 o  384.161   1.4758 143451.91  1086.08 143995.80  1426.49 142701.80  1675.21  385.052   1.9085  383.271   2.2516 1.781616 2.951632 
1 1 1   -4   18   16 o   56.337   1.7797  3387.00  100.008  3442.11  104.226  2747.16  355.110   59.546   0.9017   53.127   3.4433 6.418850 3.559450 
1 1 1   -4   18   17 o   64.461   0.7506  4035.88   91.009  4041.21  115.289  4027.06  148.250   64.520   0.9205   64.402   1.1858 0.1174011 1.501190 
1 1 1   -4   18   18 o  134.748   1.2158 17599.13  316.893 17172.32  428.314 18115.34  471.036  132.952   1.6596  136.544   1.7771 -3.592361 2.431547 
1 1 1   -4   18   19 o   43.683   0.7338  1868.50   60.650  1926.98   78.211  1780.29   96.057   44.550   0.9044   42.816   1.1557 1.733986 1.467537 
1 1 1   -4   18   20 o   64.019   0.7956  4012.60   94.960  4099.93  119.451  3862.65  156.529   64.979   0.9470   63.060   1.2787 1.919796 1.591215 
1 1 1   -4   18   21 o   30.642   0.9834  908.143   56.200  897.308   70.124  927.597   93.967   30.393   1.1886   30.892   1.5670 -0.4991245 1.966770 
1 1 1   -4   18   22 f   82.270   2.6759  6334.84  166.300  6310.23  169.546  6959.01  853.956   80.601   1.0836   83.939   5.2409 -3.338135 5.351743 
1 1 1   -4   18   23 f   63.089   0.8386  3827.14   97.527  3742.65  119.718  3993.85  168.159   62.075   0.9935   64.104   1.3514 -2.029549 1.677272 
1 1 1   -4   18   24 o   33.620   1.0679  1066.10   66.305  997.887   80.890  1205.78  115.755   32.039   1.3006   35.200   1.6941 -3.160629 2.135754 
1 1 1   -4   18   25 o   63.117   0.8963  3832.29  104.188  3746.61  127.774  4002.26  179.979   62.092   1.0601   64.141   1.4455 -2.049515 1.792560 
1 1 1   -4   18   26 o   39.642   1.0639  1602.06   75.399  1741.34   92.781  1331.17  129.389   42.324   1.1293   36.961   1.8034 5.363213 2.127799 
1 1 1   -4   18   27 o   33.085   1.2459  1100.48   75.468  1178.30   94.385  962.535  125.663   34.787   1.3977   31.382   2.0628 3.404680 2.491732 
1 1 1   -4   18   28 o   39.770   1.0902  1493.26   80.263  1387.34   98.078  1708.04  139.658   37.730   1.3391   41.809   1.7208 -4.078976 2.180458 
1 1 1   -4   18   29 o   27.833   1.4068  711.560   71.795  621.750   86.201  914.941  129.720   25.189   1.7630   30.476   2.1927 -5.287647 2.813531 
1 1 1   -4   18   30 o   61.193   0.9591  3572.01  106.525  3416.07  128.204  3919.76  191.447   59.167   1.1162   63.218   1.5601 -4.051075 1.918272 
1 1 1   -4   18   31 o   22.384   1.7394  485.139   72.327  442.345   88.588  570.694  125.257   21.048   2.1682   23.719   2.7205 -2.670179 3.478801 
1 1 1   -4   18   32 o   26.580   1.6379  757.295   77.823  865.385   97.958  572.333  128.140   29.545   1.7080   23.615   2.7953 5.929899 3.275829 
1 1 1   -4   18   33 o   33.098   1.3823  1109.70   83.703  1128.97  103.167  1072.58  143.184   33.720   1.5761   32.476   2.2713 1.243969 2.764586 
1 1 1   -4   18   34 o   16.907   2.5939  315.367   78.214  286.392   94.423  378.711  139.609   16.054   3.1424   17.761   4.1279 -1.706768 5.187867 
1 1 1   -4   19    1 f  214.539   1.4511 44689.88  604.303 44536.93  849.223 44846.77  860.108  214.168   2.0427  214.911   2.0617 -0.7428894 2.902287 
1 1 1   -4   19    2 o  202.945   1.4257 39984.45  561.593 39633.96  786.472 40349.09  802.187  202.038   2.0053  203.852   2.0272 -1.813721 2.851461 
1 1 1   -4   19    3 o  158.486   1.1655 24343.61  351.968 24170.97  455.330 24599.91  554.797  157.793   1.4865  159.180   1.7955 -1.386917 2.330990 
1 1 1   -4   19    4 o   86.981   1.2714  6821.50  140.493  6664.51  149.139  8059.02  418.725   82.861   0.9272   91.101   2.3678 -8.240158 2.542835 
1 1 1   -4   19    5 f  416.999   1.9814 168812.59  1602.83 167343.41  2222.20 170405.91  2314.07  415.112   2.7577  418.886   2.8459 -3.773651 3.962845 
1 1 1   -4   19    6 o  251.292   1.5573 61311.63  759.649 61804.40  1073.15 60816.72  1075.46  252.304   2.1911  250.279   2.2136 2.024933 3.114694 
1 1 1   -4   19    7 o  286.528   1.6801 79894.80  919.472 78671.26  1428.76 80759.77  1201.29  284.642   2.5858  288.414   2.1457 -3.772400 3.360101 
1 1 1   -4   19    8 o   75.438   0.8670  5525.14  126.919  5475.95  181.280  5572.44  177.753   75.109   1.2434   75.768   1.2086 -0.6590576 1.733942 
1 1 1   -4   19    9 o  157.431   1.3102 24060.93  400.345 24112.16  571.313 24011.50  561.170  157.595   1.8675  157.266   1.8382 0.3286438 2.620426 
1 1 1   -4   19   10 o  242.234   1.4740 56930.20  686.178 57259.27  1048.41 56683.63  907.562  242.840   2.2241  241.628   1.9349 1.212250 2.947944 
1 1 1   -4   19   11 o  231.796   1.6615 52229.52  705.804 52005.01  1217.72 52343.10  866.129  231.402   2.7109  232.190   1.9217 -0.7875061 3.322920 
1 1 1   -4   19   12 o  190.458   1.2754 35218.29  471.536 35201.39  666.778 35235.19  666.929  190.413   1.8039  190.504   1.8035 -0.9140015E-01 2.550819 
1 1 1   -4   19   13 o  355.083   1.5748 122366.90  1082.27 121433.40  1472.45 123463.90  1596.12  353.619   2.1451  356.548   2.3061 -2.929291 3.149530 
1 1 1   -4   19   14 o   67.255   1.8708  4394.19  244.025  4148.12  342.464  4647.99  347.806   65.341   2.7000   69.169   2.5904 -3.827866 3.741667 
1 1 1   -4   19   15 o   61.216   2.1433  3642.56  254.569  3605.39  353.942  3682.39  366.413   60.894   2.9943   61.538   3.0673 -0.6441612 4.286534 
1 1 1   -4   19   16 o  256.001   1.3553 63710.50  661.372 63907.14  858.432 63423.33  1037.43  256.509   1.7240  255.493   2.0918 1.015747 2.710661 
1 1 1   -4   19   17 o   48.836   0.6844  2306.85   63.829  2269.16   82.813  2362.02  100.182   48.347   0.8824   49.324   1.0463 -0.9772987 1.368717 
1 1 1   -4   19   18 f  141.519   1.1167 19497.39  297.462 19624.76  377.713 19289.39  482.681  142.145   1.3689  140.893   1.7648 1.252426 2.233495 
1 1 1   -4   19   19 o   80.186   0.8452  6241.53  126.483  6233.50  158.363  6255.67  210.195   80.122   1.0182   80.250   1.3493 -0.1285858 1.690378 
1 1 1   -4   19   20 o   65.044   0.7882  4117.74   95.758  4142.04  120.232  4075.60  158.352   65.312   0.9483   64.775   1.2594 0.5368118 1.576490 
1 1 1   -4   19   21 f   69.391   0.8253  4698.57  107.035  4757.60  134.765  4597.70  176.158   69.992   0.9919   68.790   1.3192 1.202049 1.650507 
1 1 1   -4   19   22 o  108.274   1.0915 11459.32  223.609 11689.52  287.448 11106.53  355.852  109.678   1.3501  106.869   1.7153 2.809311 2.182948 
1 1 1   -4   19   23 o   45.652   0.8629  2043.19   72.759  2085.69   90.472  1965.38  122.417   46.338   1.0058   44.966   1.4025 1.372684 1.725857 
1 1 1   -4   19   24 o   82.222   0.9433  6530.89  143.672  6435.70  177.661  6710.79  244.241   81.381   1.1246   83.062   1.5148 -1.681046 1.886617 
1 1 1   -4   19   25 o   42.343   0.9302  1770.71   73.904  1859.73   94.579  1631.13  118.429   43.742   1.1139   40.943   1.4901 2.799274 1.860381 
1 1 1   -4   19   26 o   59.372   0.8989  3420.40   99.133  3401.18  123.248  3455.61  166.842   59.154   1.0733   59.590   1.4423 -0.4365540 1.797875 
1 1 1   -4   19   27 o   54.772   0.9177  2887.69   93.187  2813.22  115.059  3029.67  158.872   53.780   1.1021   55.764   1.4677 -1.984295 1.835427 
1 1 1   -4   19   28 o   30.977   1.2628  948.670   72.016  972.098   89.369  905.285  121.617   31.567   1.4584   30.386   2.0618 1.180977 2.525510 
1 1 1   -4   19   29 f   37.363   1.1451  1409.63   78.490  1517.70   98.578  1222.48  129.732   39.438   1.2876   35.287   1.8939 4.151608 2.290212 
1 1 1   -4   19   30 o   29.073   1.3619  832.369   72.346  828.250   88.438  840.701  125.786   29.047   1.5685   29.098   2.2269 -0.5142975E-01 2.723794 
1 1 1   -4   19   31 o   38.986   1.1107  1493.33   79.863  1483.35   98.522  1512.46  136.382   38.888   1.3051   39.084   1.7976 -0.1960068 2.221447 
1 1 1   -4   19   32 o   30.218   1.3321  872.114   75.843  761.615   94.424  1073.02  127.321   27.686   1.7569   32.749   2.0028 -5.062815 2.664213 
1 1 1   -4   19   33 o   16.727   2.4787  299.356   75.743  261.478   94.638  366.854  126.334   15.415   3.2644   18.038   3.7310 -2.623647 4.957479 
1 1 1   -4   19   34 o   16.762   2.6298  327.962   80.508  331.091  100.035  322.208  135.642   17.310   3.0904   16.213   4.2559 1.097298 5.259583 
1 1 1   -4   20    1 o  181.806   1.3256 32080.00  467.705 31650.99  652.669 32532.86  670.564  180.557   1.8621  183.054   1.8871 -2.497391 2.651175 
1 1 1   -4   20    2 o   95.265   0.8889  8804.97  160.301  8788.68  205.031  8830.58  257.105   95.153   1.1100   95.377   1.3887 -0.2239151 1.777801 
1 1 1   -4   20    3 o  238.653   1.5311 55286.75  709.185 54643.32  991.571 55960.57  1014.71  237.232   2.1532  240.074   2.1774 -2.841431 3.062219 
1 1 1   -4   20    4 o  239.468   1.6792 55592.11  768.238 55187.17  999.581 56176.47  1200.79  238.413   2.1598  240.523   2.5718 -2.110733 3.358468 
1 1 1   -4   20    5 o   71.332   0.7142  4888.45   94.023  4780.28  115.564  5100.24  161.710   70.178   0.8483   72.487   1.1492 -2.309143 1.428431 
1 1 1   -4   20    6 o  215.118   1.3979 45026.64  577.627 45648.98  766.394 44208.19  878.889  216.847   1.8207  213.389   2.1218 3.457520 2.795846 
1 1 1   -4   20    7 o   86.630   0.8952  7267.96  150.050  7483.45  222.746  7088.94  203.027   87.803   1.3069   85.458   1.2239 2.345139 1.790476 
1 1 1   -4   20    8 o  370.153   1.7729 133230.59  1253.40 131998.00  1951.25 134096.50  1635.43  368.678   2.7265  371.628   2.2670 -2.950592 3.545855 
1 1 1   -4   20    9 o  224.915   1.4199 49092.80  613.451 49265.43  938.552 48964.05  810.557  225.255   2.1464  224.576   1.8593 0.6799316 2.839769 
1 1 1   -4   20   10 f  287.364   1.7659 80149.53  978.320 79850.66  1307.98 80529.05  1473.94  286.764   2.3497  287.963   2.6368 -1.198944 3.531834 
1 1 1   -4   20   11 o  212.561   1.4507 43830.17  593.501 44179.17  901.648 43563.35  788.382  213.301   2.1776  211.820   1.9174 1.481110 2.901421 
1 1 1   -4   20   12 o  245.021   1.7255 58406.36  774.237 57988.34  1336.80 58617.35  949.745  244.337   2.8184  245.705   1.9913 -1.367752 3.450907 
1 1 1   -4   20   13 o  201.023   1.3282 39238.91  518.287 39154.11  729.744 39325.23  736.236  200.804   1.8721  201.242   1.8847 -0.4377136 2.656457 
1 1 1   -4   20   14 o  209.977   1.3795 42826.05  562.209 43549.74  792.972 42094.59  797.214  211.762   1.9291  208.191   1.9726 3.570709 2.759083 
1 1 1   -4   20   15 o  155.452   1.2804 23472.01  386.361 23305.21  546.274 23638.95  546.521  154.899   1.8168  156.005   1.8047 -1.105957 2.560758 
1 1 1   -4   20   16 o  115.768   1.0187 12988.57  220.939 12916.59  277.768 13112.54  364.539  115.339   1.2406  116.196   1.6162 -0.8568573 2.037435 
1 1 1   -4   20   17 o   52.875   0.7017  2721.73   70.642  2753.25   91.669  2675.65  110.845   53.254   0.8868   52.496   1.0877 0.7588310 1.403401 
1 1 1   -4   20   18 o   90.534   0.8940  8033.94  151.829  8259.77  192.948  7666.73  246.040   92.228   1.0777   88.840   1.4267 3.388199 1.788006 
1 1 1   -4   20   19 o   92.576   0.9245  8317.16  159.589  8297.46  199.532  8352.14  265.875   92.434   1.1120   92.718   1.4772 -0.2839661 1.849002 
1 1 1   -4   20   20 o   49.555   0.7518  2393.45   70.839  2429.13   91.774  2340.87  111.423   50.016   0.9452   49.093   1.1692 0.9229393 1.503504 
1 1 1   -4   20   21 o   12.915   1.9966  173.199   49.116  206.483   64.229  126.326   76.222   14.563   2.2721   11.267   3.2838 3.295461 3.993211 
1 1 1   -4   20   22 o   44.541   0.8128  1899.85   68.246  1818.06   85.906  2039.77  112.363   43.265   1.0229   45.818   1.2633 -2.553547 1.625524 
1 1 1   -4   20   23 o   45.530   0.8343  2044.43   71.887  2168.75   93.573  1865.39  112.296   47.251   1.0202   43.810   1.3205 3.441200 1.668658 
1 1 1   -4   20   24 f   23.242   1.3418  519.887   59.800  489.207   77.785  564.224   93.508   22.418   1.7875   24.066   2.0016 -1.648569 2.683558 
1 1 1   -4   20   25 o   21.337   1.4900  447.001   60.359  458.909   78.231  429.487   94.879   21.703   1.8570   20.972   2.3306 0.7303314 2.979907 
1 1 1   -4   20   26 f   42.315   5.9813  1985.76  100.160  1987.20  100.679  1846.66  987.981   45.209   1.1472   39.421   11.907 5.788170 11.96254 
1 1 1   -4   20   27 o   82.092   1.0087  6555.86  152.882  6532.19  188.860  6600.86  260.393   81.927   1.1875   82.258   1.6307 -0.3312225 2.017328 
1 1 1   -4   20   28 o   37.874   1.0623  1369.01   75.452  1286.51   93.944  1518.95  126.645   36.325   1.3323   39.423   1.6549 -3.097202 2.124559 
1 1 1   -4   20   29 o   47.335   0.9546  2182.84   83.943  2170.29  104.404  2205.78  141.173   47.184   1.1399   47.486   1.5315 -0.3013725 1.909163 
1 1 1   -4   20   30 o   19.440   1.8284  361.343   67.350  283.239   85.598  488.289  109.127   16.800   2.6247   22.080   2.5461 -5.279690 3.656726 
1 1 1   -4   20   31 o   34.622   1.2116  1208.69   78.918  1301.36  102.383  1073.03  123.876   36.379   1.4498   32.866   1.9417 3.513557 2.423235 
1 1 1   -4   20   32 o   18.927   2.0413  354.075   71.023  261.006   89.914  508.497  115.818   15.595   3.0795   22.258   2.6805 -6.663950 4.082682 
1 1 1   -4   20   33 o   26.543   1.6130  736.890   79.323  791.760  100.987  648.500  128.172   28.088   1.8522   24.998   2.6413 3.089243 3.225992 
1 1 1   -4   21    1 o  289.274   1.6292 81253.93  914.670 81531.98  1283.13 80966.69  1304.20  289.778   2.2811  288.770   2.3266 1.008484 3.258307 
1 1 1   -4   21    2 o  243.680   1.4614 57634.15  684.890 57528.46  908.401 57773.36  1042.56  243.426   1.9224  243.934   2.2017 -0.5077972 2.922884 
1 1 1   -4   21    3 o  223.285   1.4089 48374.77  604.425 48207.95  799.059 48597.88  924.076  222.840   1.8472  223.731   2.1277 -0.8910828 2.817714 
1 1 1   -4   21    4 o  259.907   1.7048 65554.93  847.904 65384.92  1108.92 65794.23  1315.65  259.510   2.2013  260.305   2.6037 -0.7949219 3.409550 
1 1 1   -4   21    5 o  145.734   1.1448 20678.78  316.994 20923.96  409.652 20312.86  500.455  146.817   1.4374  144.652   1.7823 2.164886 2.289671 
1 1 1   -4   21    6 o  228.571   1.6772 50691.75  729.352 50551.77  941.550 50901.76  1153.28  228.185   2.1256  228.957   2.5949 -0.7719269 3.354362 
1 1 1   -4   21    7 o  224.473   1.6946 48845.09  722.191 48539.94  927.705 49314.48  1150.57  223.594   2.1374  225.352   2.6302 -1.757782 3.389148 
1 1 1   -4   21    8 o  136.418   1.1622 18082.08  305.740 17927.12  458.544 18206.11  410.241  135.890   1.7383  136.947   1.5432 -1.056717 2.324484 
1 1 1   -4   21    9 o  229.098   1.4458 50997.27  636.314 50693.17  970.979 51226.17  842.420  228.494   2.1891  229.703   1.8893 -1.209229 2.891651 
1 1 1   -4   21   10 o  105.286   1.0713 10756.03  218.087 10818.72  323.508 10703.80  295.267  105.566   1.5787  105.005   1.4486 0.5604095 2.142568 
1 1 1   -4   21   11 o  298.803   1.6897 86705.76  979.971 85004.93  1383.15 88420.17  1388.65  295.860   2.4083  301.747   2.3707 -5.887390 3.379422 
1 1 1   -4   21   12 o   32.633   0.6729  1036.22   42.468  1001.28   62.221  1066.69   58.108   32.117   0.9980   33.150   0.9030 -1.032845 1.345895 
1 1 1   -4   21   13 o  180.179   1.4206 31576.58  493.448 31090.14  739.642 31966.74  662.410  178.920   2.1296  181.438   1.8808 -2.517136 2.841204 
1 1 1   -4   21   14 o   70.553   1.9580  4835.48  268.086  4991.37  383.914  4687.12  374.523   71.663   2.7598   69.444   2.7783 2.219124 3.916039 
1 1 1   -4   21   15 o  105.614   1.0809 10824.74  221.518 10506.29  308.578 11163.33  318.191  104.013   1.5283  107.216   1.5288 -3.202988 2.161737 
1 1 1   -4   21   16 o   57.602   1.6333  3325.23   98.513  3344.74  102.810  3106.30  344.363   58.698   0.9023   56.505   3.1395 2.192261 3.266589 
1 1 1   -4   21   17 o  109.985   0.9915 11690.58  203.930 11536.29  255.283 11962.68  339.010  108.996   1.2066  110.974   1.5737 -1.977509 1.983015 
1 1 1   -4   21   18 o   93.600   0.9112  8456.75  159.641  8315.11  199.944  8705.82  265.144   92.534   1.1131   94.667   1.4428 -2.132286 1.822312 
1 1 1   -4   21   19 o   51.699   0.7322  2603.63   72.144  2639.34   93.868  2552.10  112.765   52.136   0.9275   51.262   1.1332 0.8741951 1.464387 
1 1 1   -4   21   20 o  137.665   1.1528 18474.91  298.276 18637.87  378.152 18206.57  485.253  138.497   1.4066  136.833   1.8269 1.663757 2.305631 
1 1 1   -4   21   21 o   66.443   0.8244  4282.88  102.574  4267.46  128.951  4309.45  169.259   66.287   1.0021   66.598   1.3093 -0.3105316 1.648768 
1 1 1   -4   21   22 o   38.958   0.8450  1447.16   62.142  1364.39   78.195  1589.04  102.377   37.478   1.0748   40.438   1.3042 -2.960251 1.690034 
1 1 1   -4   21   23 o   57.654   0.8125  3246.03   89.022  3312.95  115.388  3147.62  139.923   58.399   1.0179   56.909   1.2666 1.489258 1.624918 
1 1 1   -4   21   24 o   26.381   1.2031  688.893   60.310  748.400   79.830  609.768   92.053   27.739   1.4825   25.022   1.8952 2.717150 2.406152 
1 1 1   -4   21   25 o   65.177   0.8749  4162.72  107.953  4286.02  139.266  3977.10  170.874   66.409   1.0803   63.945   1.3766 2.464054 1.749893 
1 1 1   -4   21   26 o   43.021   0.9489  1800.64   78.170  1799.31  102.444  1802.48  120.944   43.011   1.2270   43.031   1.4479 -0.2016449E-01 1.897856 
1 1 1   -4   21   27 o   44.289   5.1295  2390.35  108.355  2401.13  109.417  1843.36  779.348   49.673   1.1348   38.905   10.196 10.76794 10.25905 
1 1 1   -4   21   28 o   23.085   1.5190  509.996   66.302  369.328   87.023  704.636  102.365   19.366   2.3148   26.804   1.9674 -7.437157 3.037936 
1 1 1   -4   21   29 o   13.114   2.3768  187.919   63.778  249.646   83.751  102.712   98.400   15.584   2.8744   10.645   3.7862 4.938873 4.753689 
1 1 1   -4   21   30 o   26.606   1.3566  720.412   67.462  796.087   87.560  609.873  105.825   28.454   1.5852   24.757   2.2020 3.696945 2.713252 
1 1 1   -4   21   31 o   13.283   2.4869  174.911   67.425   99.497   86.597  291.011  107.447   10.132   3.5570   16.435   3.4765 -6.302670 4.973791 
1 1 1   -4   21   32 o   33.097   1.2530  1093.69   78.637  1104.38  101.311  1077.48  124.723   33.394   1.5629   32.799   1.9589 0.5950966 2.505969 
1 1 1   -4   21   33 o   38.639   1.2122  1494.76   87.898  1500.27  111.199  1485.58  143.503   38.883   1.4733   38.395   1.9254 0.4875107 2.424395 
1 1 1   -4   22    1 o  269.081   1.5953 70301.80  833.170 70570.48  1170.98 70026.32  1185.71  269.603   2.2375  268.560   2.2744 1.042877 3.190522 
1 1 1   -4   22    2 o   84.710   0.8417  6994.34  132.154  7064.16  164.509  6867.29  221.905   85.310   0.9934   84.110   1.3591 1.199387 1.683450 
1 1 1   -4   22    3 o   50.413   0.5743  2446.23   52.578  2409.52   63.685  2524.81   93.179   49.824   0.6585   51.002   0.9412 -1.177357 1.148635 
1 1 1   -4   22    4 o  277.529   1.7328 74893.50  924.632 75587.77  1228.98 73987.95  1403.60  279.021   2.2690  276.038   2.6195 2.983551 3.465558 
1 1 1   -4   22    5 o  172.788   1.2732 28967.78  419.157 28900.58  542.801 29067.04  659.709  172.543   1.6206  173.032   1.9641 -0.4891357 2.546367 
1 1 1   -4   22    6 o  146.597   1.1489 20789.30  319.124 20531.44  407.843 21196.48  512.492  145.432   1.4447  147.763   1.7867 -2.330734 2.297703 
1 1 1   -4   22    7 o  141.296   1.2906 19377.88  353.903 19184.48  494.469 19581.01  506.747  140.573   1.8121  142.018   1.8382 -1.444824 2.581155 
1 1 1   -4   22    8 o   96.778   0.9923  9104.18  186.076  8858.92  269.353  9328.08  257.358   95.529   1.4525   98.027   1.3525 -2.498062 1.984682 
1 1 1   -4   22    9 o  243.894   1.4861 57681.75  695.314 58234.05  1070.89 57279.22  914.231  244.895   2.2527  242.892   1.9390 2.002884 2.972252 
1 1 1   -4   22   10 o   67.760   0.8113  4453.19  106.670  4630.94  153.306  4286.38  148.517   69.070   1.1434   66.451   1.1514 2.619255 1.622663 
1 1 1   -4   22   11 o  196.103   1.4027 37352.90  529.470 37233.06  801.927 37445.51  704.975  195.819   2.1097  196.387   1.8493 -0.5674286 2.805431 
1 1 1   -4   22   12 o   96.028   1.0394  8951.85  193.725  8756.36  272.639  9151.20  275.319   94.969   1.4789   97.087   1.4609 -2.117844 2.078763 
1 1 1   -4   22   13 o  169.612   1.3563 27870.15  443.084 28466.52  672.918 27413.69  588.720  171.205   2.0248  168.020   1.8050 3.185242 2.712546 
1 1 1   -4   22   14 o  102.186   1.0832 10143.42  214.521 10076.30  311.779 10203.76  295.621  101.864   1.5767  102.509   1.4856 -0.6452484 2.166380 
1 1 1   -4   22   15 o  112.502   1.1129 12291.75  243.037 12327.75  343.961 12255.86  343.452  112.667   1.5727  112.338   1.5750 0.3291016 2.225754 
1 1 1   -4   22   16 o  189.293   1.2445 34757.30  446.880 34577.73  573.284 35035.40  713.419  188.687   1.5652  189.899   1.9353 -1.212509 2.489035 
1 1 1   -4   22   17 o  124.859   1.0639 15241.07  250.544 15571.06  320.487 14722.44  401.781  126.621   1.3039  123.097   1.6814 3.524170 2.127746 
1 1 1   -4   22   18 o   60.076   0.7399  3523.97   84.517  3605.39  109.721  3405.17  132.534   60.937   0.9276   59.214   1.1530 1.722088 1.479808 
1 1 1   -4   22   19 o   82.006   0.8620  6546.40  132.801  6589.85  168.163  6474.38  216.476   82.376   1.0516   81.636   1.3660 0.7401505 1.723941 
1 1 1   -4   22   20 o  139.209   1.1878 18769.49  312.208 18538.13  396.596 19146.52  506.276  138.112   1.4793  140.307   1.8588 -2.194839 2.375628 
1 1 1   -4   22   21 o   64.846   0.8045  4098.77   98.333  4144.84  125.303  4024.90  158.655   65.328   0.9881   64.363   1.2698 0.9652710 1.608987 
1 1 1   -4   22   22 o   16.409   1.6641  262.805   50.900  202.924   68.380  337.210   76.223   14.209   2.5740   18.609   2.1101 -4.400515 3.328300 
1 1 1   -4   22   23 o  110.283   1.1020 11788.29  226.899 11677.85  283.703 11984.34  377.980  109.601   1.3335  110.965   1.7548 -1.363976 2.203927 
1 1 1   -4   22   24 o   31.381   1.0229  961.296   62.084  1027.74   86.419  890.426   89.249   32.509   1.3694   30.252   1.5198 2.256405 2.045753 
1 1 1   -4   22   25 o   58.982   0.8555  3366.36   96.229  3299.17  124.353  3466.64  151.928   58.261   1.0995   59.704   1.3109 -1.442642 1.710994 
1 1 1   -4   22   26 o   94.536   1.0748  8739.68  189.177  8831.34  236.884  8578.29  314.326   95.271   1.2809   93.802   1.7263 1.469055 2.149559 
1 1 1   -4   22   27 o   26.228   1.4285  697.180   69.147  765.542   88.039  587.109  111.713   28.006   1.6194   24.450   2.3537 3.555935 2.857033 
1 1 1   -4   22   28 o   46.240   0.9778  2126.74   85.128  2277.83  110.265  1903.81  133.936   48.348   1.1749   44.133   1.5634 4.215046 1.955652 
1 1 1   -4   22   29 o   37.109   1.0649  1353.36   74.856  1372.96   96.293  1323.43  119.001   37.486   1.3233   36.732   1.6689 0.7539558 2.129891 
1 1 1   -4   22   30 o   25.347   1.4333  632.391   69.482  607.784   90.080  668.536  109.173   24.785   1.8723   25.910   2.1706 -1.124624 2.866561 
1 1 1   -4   22   31 o   24.554   1.5301  600.547   71.841  587.182   93.429  619.881  112.370   24.281   1.9822   24.827   2.3316 -0.5460644 3.060297 
1 1 1   -4   22   32 o   21.694   1.8877  498.404   75.884  543.292   97.226  428.439  121.382   23.197   2.1592   20.191   3.0969 3.006124 3.775319 
1 1 1   -4   22   33 o   21.058   1.8906  464.175   74.357  466.015   93.683  461.041  122.240   21.329   2.2627   20.787   3.0294 0.5420895 3.781103 
1 1 1   -4   23    1 o  251.559   1.5707 61423.52  766.763 60787.24  1069.47 62096.52  1099.90  250.220   2.2018  252.899   2.2405 -2.678955 3.141309 
1 1 1   -4   23    2 o  242.660   1.4604 57115.30  681.041 56800.36  900.474 57536.24  1041.01  241.884   1.9178  243.436   2.2030 -1.552643 2.920771 
1 1 1   -4   23    3 o  175.243   1.2878 29708.70  429.282 29300.45  552.513 30330.52  681.892  173.733   1.6383  176.753   1.9874 -3.020111 2.575615 
1 1 1   -4   23    4 o  254.276   1.6472 62566.46  779.734 62039.52  971.420 63520.88  1307.36  252.789   1.9796  255.763   2.6333 -2.973892 3.294379 
1 1 1   -4   23    5 o  141.400   1.1584 19430.78  309.884 19504.79  396.529 19314.68  496.677  141.749   1.4411  141.050   1.8140 0.6987610 2.316740 
1 1 1   -4   23    6 o   79.268   0.8851  6106.23  135.999  5945.10  196.048  6255.69  188.818   78.259   1.2905   80.278   1.2117 -2.018814 1.770188 
1 1 1   -4   23    7 o  122.253   1.0522 14489.24  242.105 14429.26  306.588 14588.61  394.613  121.920   1.2954  122.586   1.6583 -0.6661758 2.104306 
1 1 1   -4   23    8 o  284.633   1.5374 78583.91  838.887 79161.95  1294.64 78165.58  1101.38  285.526   2.3358  283.740   1.9996 1.785889 3.074839 
1 1 1   -4   23    9 o  236.036   1.4801 54121.29  671.400 53917.64  1023.52 54275.11  889.524  235.639   2.2376  236.433   1.9381 -0.7935181 2.960281 
1 1 1   -4   23   10 o  257.152   1.5123 64260.37  747.054 63853.32  1139.99 64566.74  989.013  256.430   2.2902  257.874   1.9757 -1.444641 3.024632 
1 1 1   -4   23   11 o  252.436   1.5270 61873.68  740.078 61939.79  1133.82 61824.61  976.883  252.544   2.3128  252.328   1.9944 0.2154541 3.053978 
1 1 1   -4   23   12 o  234.443   1.5121 53357.18  680.741 53535.02  1042.90 53225.16  898.568  234.773   2.2884  234.113   1.9772 0.6594238 3.024273 
1 1 1   -4   23   13 o  180.995   1.4722 31816.16  517.099 31950.18  740.935 31688.90  722.010  181.365   2.1046  180.624   2.0592 0.7401428 2.944412 
1 1 1   -4   23   14 o   61.213   0.7946  3640.07   94.280  3592.31  136.501  3683.63  130.373   60.828   1.1560   61.597   1.0903 -0.7693634 1.589104 
1 1 1   -4   23   15 o  189.021   1.4848 34814.84  539.173 33983.86  818.524 35451.78  716.611  187.007   2.2548  191.034   1.9324 -4.026505 2.969590 
1 1 1   -4   23   16 o   85.970   1.6178  7650.13  177.185  7813.94  190.273  6580.79  486.142   89.710   1.0926   82.230   3.0456 7.480263 3.235637 
1 1 1   -4   23   17 o   73.039   1.6283  5363.95  133.554  5405.05  140.458  4976.48  431.281   74.611   0.9698   71.467   3.1088 3.143845 3.256543 
1 1 1   -4   23   18 o  138.876   1.1343 18748.32  295.968 18770.29  374.273 18711.67  483.529  139.005   1.3871  138.747   1.7953 0.2580109 2.268700 
1 1 1   -4   23   19 o   77.240   0.8332  5726.65  120.388  5549.95  150.181  6044.34  201.372   75.599   1.0234   78.881   1.3151 -3.281960 1.666385 
1 1 1   -4   23   20 f  115.669   1.1232 13080.34  244.479 13319.41  311.308 12695.62  394.907  117.078   1.3698  114.259   1.7805 2.819397 2.246420 
1 1 1   -4   23   21 o   71.863   0.8383  4978.99  112.899  4874.90  141.503  5161.31  187.273   70.846   1.0289   72.880   1.3237 -2.034767 1.676598 
1 1 1   -4   23   22 o  101.735   1.0329 10090.10  197.447 10175.99  250.190  9948.27  321.493  102.331   1.2595  101.138   1.6375 1.193527 2.065883 
1 1 1   -4   23   23 o   51.128   0.8227  2511.14   80.228  2392.49  103.147  2692.86  127.649   49.622   1.0708   52.635   1.2493 -3.012665 1.645450 
1 1 1   -4   23   24 o   42.669   0.8716  1769.59   71.614  1765.94   95.391  1774.31  108.410   42.623   1.1529   42.715   1.3074 -0.9176636E-01 1.743155 
1 1 1   -4   23   25 o   50.191   0.8611  2464.80   82.604  2544.38  108.762  2356.32  126.981   51.163   1.0951   49.218   1.3291 1.944256 1.722117 
1 1 1   -4   23   26 o   73.308   2.8299  5354.57  159.193  5354.84  162.619  5348.54  779.628   74.199   1.1290   72.417   5.5460 1.782288 5.659790 
1 1 1   -4   23   27 o   65.975   0.9074  4205.73  111.944  4114.39  139.871  4368.51  186.712   65.018   1.1082   66.932   1.4371 -1.914429 1.814746 
1 1 1   -4   23   28 o   46.840   0.9151  2113.43   81.268  2021.19  103.309  2263.18  131.631   45.538   1.1687   48.142   1.4085 -2.603649 1.830237 
1 1 1   -4   23   29 o   29.496   1.5474  852.859   88.603  852.859   88.603   0.0000   0.0000   29.496   1.5474  ?   ?       ?      ? 
1 1 1   -4   23   30 o   16.014   2.1814  281.346   64.420  343.567   85.138  198.014   98.528   18.509   2.3696   13.519   3.6633 4.990124 4.362832 
1 1 1   -4   23   31 o   8.9866   2.4315   44.992   66.368  122.613   90.116 -47.0105   98.109   10.881   3.6342   7.0923   3.2313 3.788661 4.863000 
1 1 1   -4   23   32 o   25.672   1.5274  657.415   75.599  574.735  100.591  764.726  114.599   23.835   2.1741   27.508   2.1461 -3.673059 3.054897 
1 1 1   -4   23   33 o   13.700   2.6570  222.593   73.942  257.564   98.828  178.123  111.445   15.056   3.4548   12.344   4.0377 2.711479 5.314021 
1 1 1   -4   24    1 o   64.581   0.7774  4048.89   97.438  4124.20  137.625  3973.20  137.973   65.183   1.0877   63.979   1.1109 1.204525 1.554746 
1 1 1   -4   24    2 o  195.406   1.3398 36955.19  500.564 36424.09  651.398 37721.07  782.236  193.701   1.7324  197.111   2.0444 -3.410355 2.679688 
1 1 1   -4   24    3 o   92.909   0.8474  8342.46  146.293  8254.45  181.725  8504.53  246.599   92.217   1.0152   93.601   1.3572 -1.383781 1.694873 
1 1 1   -4   24    4 o  148.679   1.4608 21024.89  356.237 20657.55  404.949 22282.09  749.157  145.878   1.4300  151.480   2.5477 -5.602173 2.921631 
1 1 1   -4   24    5 o  161.637   1.2500 25317.62  383.388 25145.02  491.912 25584.69  611.903  160.941   1.5745  162.334   1.9418 -1.392838 2.499972 
1 1 1   -4   24    6 o  117.224   1.0373 13309.32  231.735 13183.29  299.724 13496.64  365.394  116.537   1.3249  117.910   1.5964 -1.373154 2.074598 
1 1 1   -4   24    7 o  519.783   2.1773 262336.50  2196.26 266188.19  3150.36 258694.50  3063.42  523.491   3.1002  516.075   3.0579 7.415833 4.354538 
1 1 1   -4   24    8 o  176.046   1.4093 30066.96  481.363 29371.31  667.616 30820.17  694.690  173.928   1.9774  178.165   2.0086 -4.237228 2.818642 
1 1 1   -4   24    9 o   99.243   1.0296  9553.36  197.965  9688.13  289.979  9435.72  270.921   99.898   1.4954   98.589   1.4156 1.308830 2.059153 
1 1 1   -4   24   10 o  183.312   1.3861 32693.93  489.727 32045.04  733.893 33214.81  657.539  181.664   2.0811  184.959   1.8314 -3.294952 2.772192 
1 1 1   -4   24   11 o  245.665   1.5212 58585.68  717.275 58780.94  1100.80 58441.62  945.565  246.009   2.3051  245.320   1.9856 0.6893616 3.042393 
1 1 1   -4   24   12 o  286.286   1.6025 79566.27  879.128 79886.68  1357.62 79334.89  1153.68  286.765   2.4389  285.808   2.0794 0.9573364 3.205012 
1 1 1   -4   24   13 o  136.288   1.2458 18033.72  328.291 18105.11  486.679 17974.12  444.702  136.532   1.8363  136.044   1.6839 0.4873505 2.491508 
1 1 1   -4   24   14 o   47.556   2.4138  2195.53  218.227  2229.16  346.745  2173.47  280.816   47.844   3.7335   47.269   3.0605 0.5756416 4.827565 
1 1 1   -4   24   15 o   86.831   2.1013  7363.13  348.362  7166.73  540.246  7502.91  455.771   85.818   3.2430   87.844   2.6728 -2.026352 4.202507 
1 1 1   -4   24   16 o   88.029   1.0094  7520.40  172.254  7637.57  250.927  7415.98  236.888   88.675   1.4577   87.382   1.3965 1.293274 2.018743 
1 1 1   -4   24   17 o   90.844   0.8903  7948.44  151.369  7770.44  189.303  8264.04  252.065   89.453   1.0902   92.235   1.4078 -2.782021 1.780580 
1 1 1   -4   24   18 o   81.465   1.7910  6867.10  166.279  6969.53  175.525  5971.06  519.144   84.716   1.0674   78.214   3.4193 6.501526 3.582009 
1 1 1   -4   24   19 o   84.620   0.8806  6900.61  138.956  6762.00  173.021  7152.45  233.218   83.442   1.0682   85.798   1.4003 -2.356133 1.761206 
1 1 1   -4   24   20 o  109.343   1.0614 11638.63  217.943 11693.05  275.680 11547.95  355.899  109.704   1.2945  108.982   1.6823 0.7216339 2.122741 
1 1 1   -4   24   21 o   22.643   1.1729  500.380   50.980  408.813   71.107  597.231   73.129   20.501   1.7868   24.786   1.5199 -4.285435 2.345810 
1 1 1   -4   24   22 o   15.868   1.7145  250.946   50.734  199.850   71.158  303.777   72.355   14.076   2.7025   17.660   2.1106 -3.584467 3.429078 
1 1 1   -4   24   23 o   52.216   0.8157  2658.54   81.108  2697.36  105.381  2602.14  127.038   52.691   1.0303   51.740   1.2649 0.9511986 1.631365 
1 1 1   -4   24   24 o   75.370   0.9020  5495.13  127.908  5410.33  161.448  5638.09  209.619   74.609   1.1147   76.131   1.4184 -1.521446 1.804045 
1 1 1   -4   24   25 o   22.733   1.3853  500.622   60.902  448.708   82.546  562.641   90.222   21.447   1.9827   24.019   1.9351 -2.571854 2.770514 
1 1 1   -4   24   26 o   70.596   1.0446  4827.52  142.565  5170.07  213.721  4552.89  191.362   72.833   1.5117   68.360   1.4421 4.472519 2.089187 
1 1 1   -4   24   27 f   47.747   0.9204  2215.12   82.935  2193.60  105.343  2250.20  134.507   47.465   1.1433   48.029   1.4427 -0.5635681 1.840811 
1 1 1   -4   24   28 o   41.229   0.9690  1656.91   75.159  1648.23   95.104  1671.35  122.657   41.115   1.1916   41.342   1.5284 -0.2268829 1.938015 
1 1 1   -4   24   29 o   15.920   2.0736  264.358   61.389  287.243   81.064  233.589   93.997   16.970   2.4608   14.871   3.3381 2.099506 4.147138 
1 1 1   -4   24   30 o   16.263   2.1024  273.664   63.626  175.814   85.866  392.813   94.752   12.779   3.4014   19.747   2.4718 -6.968306 4.204702 
1 1 1   -4   24   31 o   16.949   2.1643  320.424   66.921  453.512   92.887  176.786   96.498   21.217   2.2553   12.681   3.6945 8.535906 4.328504 
1 1 1   -4   24   32 o   26.638   1.4330  722.093   73.242  784.504   99.507  648.304  108.198   27.997   1.8310   25.279   2.2049 2.717602 2.865999 
1 1 1   -4   24   33 o   11.079   2.5740  133.902   71.644  210.684   95.818   36.546  107.894   13.476   3.5960   8.6823   3.6838 4.793978 5.147990 
1 1 1   -4   25    1 f  240.673   1.5694 56206.51  732.746 55311.55  1015.56 57178.34  1058.28  238.677   2.1919  242.669   2.2466 -3.992081 3.138741 
1 1 1   -4   25    2 o  210.869   1.3920 43018.74  561.725 42291.18  732.265 44059.05  875.615  208.715   1.8074  213.023   2.1175 -4.307785 2.783959 
1 1 1   -4   25    3 o  346.102   1.7570 116176.00  1178.92 113682.10  1619.68 118986.00  1719.28  342.159   2.4386  350.044   2.5302 -7.884644 3.514055 
1 1 1   -4   25    4 o  279.678   1.7817 75511.76  950.214 73665.78  1226.46 78283.64  1502.90  275.439   2.2938  283.917   2.7269 -8.477783 3.563397 
1 1 1   -4   25    5 o   80.233   1.4280  6001.77  132.406  5943.36  139.110  6564.42  431.733   78.250   0.9158   82.216   2.7052 -3.965797 2.855992 
1 1 1   -4   25    6 f   98.227   0.9219  9339.37  169.027  9270.00  211.355  9462.46  281.540   97.724   1.1142   98.729   1.4690 -1.005623 1.843739 
1 1 1   -4   25    7 o  147.033   1.2133 21028.55  339.207 21191.15  438.566 20786.45  535.141  147.746   1.5292  146.320   1.8841 1.425354 2.426538 
1 1 1   -4   25    8 o  172.213   1.4259 28798.13  476.630 29204.99  673.753 28390.54  674.361  173.431   2.0013  170.995   2.0316 2.436371 2.851777 
1 1 1   -4   25    9 o  108.905   1.0643 11518.13  224.186 11462.40  330.975 11565.37  304.741  108.660   1.5691  109.149   1.4383 -0.4890060 2.128580 
1 1 1   -4   25   10 o   85.768   0.9316  7143.01  154.883  7107.00  224.697  7175.61  213.785   85.561   1.3529   85.974   1.2810 -0.4129715 1.863106 
1 1 1   -4   25   11 o  122.840   1.1832 14660.50  281.407 14522.71  412.044 14780.96  385.244  122.297   1.7357  123.383   1.6085 -1.086220 2.366366 
1 1 1   -4   25   12 o  227.474   1.5103 50183.14  659.791 50802.59  1012.38 49725.77  869.913  228.679   2.2806  226.268   1.9806 2.411194 3.020557 
1 1 1   -4   25   13 o  114.011   1.1235 12610.25  247.736 12774.17  367.464 12473.66  335.428  114.687   1.6506  113.335   1.5247 1.351807 2.246994 
1 1 1   -4   25   14 o   67.692   0.8368  4437.88  109.572  4574.72  162.863  4324.72  148.102   68.642   1.2223   66.741   1.1431 1.900421 1.673544 
1 1 1   -4   25   15 o  177.699   1.4611 30661.86  501.635 30918.27  748.007 30452.28  676.247  178.364   2.1604  177.034   1.9678 1.329514 2.922258 
1 1 1   -4   25   16 o   90.419   1.0256  7938.39  179.501  7981.96  264.351  7901.10  244.515   90.646   1.5023   90.191   1.3966 0.4550247 2.051224 
1 1 1   -4   25   17 o   91.625   1.0393  8158.60  184.777  7933.70  262.040  8381.02  260.594   90.367   1.4938   92.883   1.4453 -2.515465 2.078555 
1 1 1   -4   25   18 o  198.804   1.3222 38468.46  499.573 38635.66  644.787 38217.36  790.186  199.380   1.6660  198.228   2.0535 1.152145 2.644322 
1 1 1   -4   25   19 o   71.430   0.8295  4940.85  111.300  4895.74  140.359  5017.25  182.678   71.000   1.0184   71.861   1.3096 -0.8612061 1.658942 
1 1 1   -4   25   20 o  105.357   1.0387 10707.79  204.776 10492.93  256.183 11088.01  340.790  103.922   1.2699  106.791   1.6439 -2.869270 2.077312 
1 1 1   -4   25   21 o   92.858   0.9722  8371.96  169.080  8348.46  212.647  8412.37  278.799   92.697   1.1818   93.019   1.5440 -0.3212051 1.944371 
1 1 1   -4   25   22 o   79.358   0.9116  6156.29  135.707  6261.91  171.952  5981.86  220.977   80.280   1.1034   78.435   1.4514 1.845573 1.823165 
1 1 1   -4   25   23 o   77.636   0.9046  5820.31  132.167  5704.61  166.734  6015.94  216.796   76.619   1.1210   78.653   1.4199 -2.034386 1.809139 
1 1 1   -4   25   24 o   22.736   1.3576  493.035   59.240  411.338   77.825  605.585   91.345   20.543   1.9516   24.929   1.8876 -4.386318 2.715142 
1 1 1   -4   25   25 o   12.389   2.2662  155.741   56.682  211.692   80.657  101.147   79.673   14.422   2.9796   10.355   3.4153 4.067523 4.532345 
1 1 1   -4   25   26 o   87.674   1.0173  7465.88  167.383  7392.34  210.778  7591.44  275.406   87.136   1.2461   88.211   1.6084 -1.074623 2.034622 
1 1 1   -4   25   27 o   37.857   1.0240  1386.93   74.464  1322.71   97.523  1476.73  115.317   36.827   1.3642   38.888   1.5276 -2.061031 2.048091 
1 1 1   -4   25   28 o   14.322   2.3367  212.623   63.691  184.191   86.828  245.742   93.711   13.272   3.3654   15.371   3.2426 -2.099522 4.673348 
1 1 1   -4   25   29 o   18.578   1.7452  345.667   62.818  361.212   87.653  329.252   90.073   19.029   2.3730   18.127   2.5598 0.9013882 3.490464 
1 1 1   -4   25   30 o   16.909   2.1559  308.136   67.239  376.164   91.327  227.611   99.362   19.333   2.4335   14.484   3.5593 4.848974 4.311708 
1 1 1   -4   25   31 o   16.297   2.3207  286.339   70.704  271.647   95.960  303.787  104.575   15.856   3.2274   16.737   3.3357 -0.8812256 4.641480 
1 1 1   -4   25   32 o   12.614   2.6284  181.627   73.331  248.834   99.402  101.376  108.622   14.897   3.4973   10.332   3.9246 4.565193 5.256731 
1 1 1   -4   25   33 o   9.9480   2.8491   84.289   85.078   83.804  128.874   84.664  113.267   10.080   4.1300   9.8161   3.9259 0.2639427 5.698188 
1 1 1   -4   26    1 f   73.229   0.7656  5213.60  103.088  5231.53  126.984  5178.94  176.546   73.415   0.8910   73.043   1.2451 0.3720703 1.531117 
1 1 1   -4   26    2 o   51.743   0.6380  2576.54   58.340  2545.74   69.187  2652.32  108.526   51.213   0.6959   52.273   1.0695 -1.059711 1.276027 
1 1 1   -4   26    3 o  370.740   1.8182 133406.09  1307.62 131700.50  1811.26 135262.70  1889.74  368.270   2.5337  373.211   2.6085 -4.941406 3.636418 
1 1 1   -4   26    4 o  180.155   1.5996 31634.50  507.023 31800.86  602.020 31228.58  940.392  180.988   1.7135  179.322   2.7015 1.667053 3.199147 
1 1 1   -4   26    5 o  114.682   1.4574 12364.45  239.585 12176.25  260.903 13376.92  605.151  111.999   1.2001  117.364   2.6562 -5.365242 2.914723 
1 1 1   -4   26    6 o  271.951   1.5692 71887.20  822.178 72429.11  1099.72 71200.45  1238.00  273.121   2.0742  270.780   2.3553 2.341553 3.138429 
1 1 1   -4   26    7 o  119.102   1.0526 13801.41  236.659 13903.41  301.997 13639.10  380.968  119.676   1.3000  118.527   1.6558 1.148979 2.105121 
1 1 1   -4   26    8 o  185.386   1.5025 33351.03  540.436 32775.38  750.205 33972.04  779.203  183.725   2.1035  187.047   2.1460 -3.322311 3.005037 
1 1 1   -4   26    9 f  308.942   1.6119 92827.01  956.649 91740.12  1457.32 93650.03  1268.14  307.337   2.4427  310.547   2.1037 -3.209961 3.223705 
1 1 1   -4   26   10 o  269.480   1.5653 70565.38  810.266 70278.65  1237.26 70780.70  1072.17  268.988   2.3695  269.972   2.0459 -0.9846802 3.130545 
1 1 1   -4   26   11 o  143.490   1.2708 19972.34  351.921 20190.96  528.175 19797.79  471.941  144.191   1.8870  142.788   1.7027 1.403351 2.541631 
1 1 1   -4   26   12 o   77.526   0.9286  5831.50  139.294  5887.14  205.823  5784.48  189.208   77.866   1.3617   77.187   1.2628 0.6798019 1.857109 
1 1 1   -4   26   13 o   83.433   0.9722  6765.01  157.297  6595.88  225.670  6924.82  219.368   82.417   1.4106   84.449   1.3382 -2.032104 1.944331 
1 1 1   -4   26   14 o   96.166   1.0670  8983.67  199.017  8905.72  286.596  9056.25  276.577   95.761   1.5418   96.570   1.4754 -0.8082886 2.133967 
1 1 1   -4   26   15 o   69.331   0.8717  4672.18  117.209  4520.28  167.594  4817.61  163.981   68.226   1.2654   70.436   1.1993 -2.210030 1.743469 
1 1 1   -4   26   16 o   70.361   0.8644  4804.00  117.895  4879.85  172.018  4736.82  161.898   70.884   1.2502   69.839   1.1942 1.044586 1.728877 
1 1 1   -4   26   17 o   55.789   0.7093  3023.82   75.734  3031.79   99.219  3012.70  117.229   55.879   0.9147   55.698   1.0842 0.1806335 1.418549 
1 1 1   -4   26   18 o   87.820   2.5025  7455.86  422.310  8056.92  654.271  7026.60  552.914   90.796   3.7122   84.845   3.3571 5.950760 5.005034 
1 1 1   -4   26   19 o  110.470   1.0780 11843.60  222.362 11796.44  278.414 11926.68  369.517  110.188   1.3016  110.752   1.7188 -0.5641403 2.156024 
1 1 1   -4   26   20 o   30.574   0.8901  893.475   52.348  800.357   68.641  1022.93   80.932   28.702   1.2320   32.447   1.2850 -3.744926 1.780142 
1 1 1   -4   26   21 o   19.684   1.3608  378.338   51.817  347.137   74.013  408.333   72.567   18.883   2.0192   20.486   1.8249 -1.602613 2.721618 
1 1 1   -4   26   22 o   30.217   0.9782  885.079   57.167  784.131   78.701  997.834   83.177   28.397   1.4277   32.037   1.3375 -3.640366 1.956334 
1 1 1   -4   26   23 o   31.670   0.9961  974.252   61.014  960.385   82.562  990.937   90.565   31.425   1.3534   31.916   1.4618 -0.4907093 1.992156 
1 1 1   -4   26   24 o   71.323   0.8911  4974.80  120.045  5073.21  153.837  4821.56  191.960   72.246   1.0969   70.400   1.4047 1.846649 1.782238 
1 1 1   -4   26   25 o   40.872   0.9081  1629.64   71.654  1669.96   97.110  1581.44  106.161   41.434   1.2074   40.310   1.3567 1.124664 1.816160 
1 1 1   -4   26   26 o   29.897   1.1964  890.685   67.993  1036.93   92.989  722.668   99.670   32.611   1.4689   27.184   1.8888 5.427135 2.392790 
1 1 1   -4   26   27 o   40.183   0.9966  1589.84   76.904  1696.63  103.771  1459.73  114.543   41.713   1.2816   38.654   1.5266 3.059139 1.993182 
1 1 1   -4   26   28 o   43.396   0.9079  1825.06   75.568  1754.43   98.674  1925.24  117.518   42.405   1.1987   44.387   1.3639 -1.982334 1.815812 
1 1 1   -4   26   29 o   15.138   2.1013  236.614   60.242  167.758   82.507  315.240   88.165   12.559   3.3301   17.717   2.5635 -5.158583 4.202503 
1 1 1   -4   26   30 f   32.101   1.1155  1007.86   69.193  932.623   92.609  1102.94  104.103   30.764   1.5508   33.438   1.6039 -2.673820 2.230976 
1 1 1   -4   26   31 o   7.9624   2.4104   7.0586   67.127 -24.7707   92.273   42.841   97.836   7.1774   3.2141   8.7473   3.5929 -1.569872 4.820714 
1 1 1   -4   26   32 o   29.637   1.3454  851.508   75.872  671.709   97.681  1124.95  120.463   25.811   1.9496   33.462   1.8545 -7.651247 2.690743 
1 1 1   -4   27    1 o   60.363   0.6941  3540.08   75.881  3545.98   92.063  3527.57  134.004   60.442   0.7847   60.283   1.1451 0.1588097 1.388171 
1 1 1   -4   27    2 o  240.227   1.5042 55892.17  691.464 55216.63  902.239 56853.72  1076.41  238.479   1.9490  241.975   2.2916 -3.495300 3.008328 
1 1 1   -4   27    3 o   88.526   0.8521  7595.97  140.184  7568.23  174.468  7646.52  235.479   88.300   1.0179   88.753   1.3668 -0.4524918 1.704170 
1 1 1   -4   27    4 f  124.835   1.5195 14861.77  282.513 14714.44  311.108 15554.50  674.601  123.118   1.3017  126.552   2.7461 -3.433960 3.038984 
1 1 1   -4   27    5 o   97.601   1.5305  9327.27  198.024  9356.13  213.056  9144.16  536.699   98.176   1.1180   97.026   2.8495 1.149628 3.061005 
1 1 1   -4   27    6 o  275.808   1.5931 73832.11  845.735 73587.54  1124.44 74150.71  1283.36  275.291   2.1042  276.325   2.3926 -1.034210 3.186186 
1 1 1   -4   27    7 o  218.928   1.4700 46589.96  616.842 46867.00  811.816 46211.54  948.811  219.706   1.9035  218.151   2.2406 1.555923 2.939966 
1 1 1   -4   27    8 o  162.716   1.4345 25710.92  453.008 25784.64  634.959 25634.49  646.495  162.954   2.0073  162.478   2.0498 0.4767151 2.868949 
1 1 1   -4   27    9 o  142.740   1.2549 19788.02  346.218 19733.99  513.677 19832.99  468.666  142.558   1.8562  142.921   1.6893 -0.3626862 2.509838 
1 1 1   -4   27   10 o   74.859   0.8789  5439.79  127.685  5463.25  182.763  5417.43  178.461   75.017   1.2551   74.702   1.2307 0.3148575 1.757776 
1 1 1   -4   27   11 o   49.591   0.6976  2388.35   67.122  2341.70   95.727  2433.47   94.144   49.114   1.0041   50.068   0.9687 -0.9534950 1.395149 
1 1 1   -4   27   12 o   58.940   0.7608  3368.69   86.724  3417.71  128.738  3327.97  117.344   59.332   1.1178   58.549   1.0325 0.7828484 1.521651 
1 1 1   -4   27   13 o  229.094   1.5525 50979.33  684.173 51139.89  1040.74 50857.13  907.935  229.395   2.3372  228.794   2.0443 0.6005249 3.105094 
1 1 1   -4   27   14 o   48.573   0.7268  2286.70   68.380  2347.54  100.574  2234.40   93.249   49.172   1.0537   47.974   1.0013 1.198853 1.453567 
1 1 1   -4   27   15 o   73.051   0.8951  5179.02  126.738  5245.68  184.941  5120.00  174.026   73.493   1.2963   72.610   1.2347 0.8835831 1.790238 
1 1 1   -4   27   16 o   47.675   0.7464  2207.62   69.059  2179.83   98.440  2234.55   96.906   47.379   1.0703   47.971   1.0407 -0.5916100 1.492841 
1 1 1   -4   27   17 o   43.318   0.6912  1829.18   57.358  1868.23   75.688  1776.49   87.908   43.865   0.8889   42.771   1.0588 1.094009 1.382466 
1 1 1   -4   27   18 o   56.735   0.7430  3107.39   79.971  3040.45  102.205  3213.08  128.423   55.956   0.9409   57.515   1.1503 -1.559479 1.486097 
1 1 1   -4   27   19 f  109.920   1.2392 11723.75  263.458 12039.11  391.611 11463.01  356.090  111.259   1.8132  108.579   1.6895 2.680038 2.478318 
1 1 1   -4   27   20 o   70.569   0.8360  4799.11  111.667  4668.58  141.970  5010.88  180.830   69.328   1.0549   71.811   1.2972 -2.482521 1.672029 
1 1 1   -4   27   21 o   85.863   0.9261  7169.80  149.733  7183.92  190.038  7146.69  243.155   85.989   1.1385   85.737   1.4610 0.2513962 1.852212 
1 1 1   -4   27   22 o   38.284   0.8348  1430.68   61.742  1512.39   84.904  1338.98   89.945   39.452   1.1087   37.115   1.2484 2.336353 1.669628 
1 1 1   -4   27   23 o   60.335   0.8302  3552.10   95.938  3625.18  126.532  3453.27  147.143   61.076   1.0673   59.594   1.2720 1.481895 1.660402 
1 1 1   -4   27   24 o   39.347   0.9034  1499.48   68.532  1455.23   91.135  1557.06  103.965   38.685   1.2136   40.008   1.3387 -1.322666 1.806889 
1 1 1   -4   27   25 o   33.859   1.0720  1107.61   70.073  1031.65   93.332  1205.77  106.085   32.543   1.4774   35.175   1.5536 -2.632431 2.143980 
1 1 1   -4   27   26 o   43.267   0.9230  1834.81   76.430  1893.94  100.951  1755.39  116.992   44.104   1.1791   42.430   1.4204 1.673912 1.846058 
1 1 1   -4   27   27 o   37.495   0.9940  1390.06   71.422  1543.52   97.430  1211.81  105.006   39.782   1.2617   35.208   1.5364 4.573994 1.988031 
1 1 1   -4   27   28 o   21.135   1.4474  440.808   59.381  435.326   83.521  446.412   84.442   21.002   2.0487   21.268   2.0453 -0.2662983 2.894889 
1 1 1   -4   27   29 o   24.966   1.3397  623.825   64.203  700.779   88.665  538.994   93.091   26.648   1.7141   23.285   2.0595 3.362675 2.679488 
1 1 1   -4   27   30 o   27.013   1.3306  729.560   69.315  783.787   95.331  668.737  100.964   28.128   1.7459   25.897   2.0084 2.230892 2.661173 
1 1 1   -4   27   31 o   11.283   2.6886  136.127   69.761  125.991   96.660  147.146  100.784   10.940   3.7626   11.625   3.8416 -0.6858835 5.377250 
1 1 1   -4   27   32 o   29.681   1.3848  900.264   78.733  979.188  106.535  805.282  116.872   31.246   1.7564   28.116   2.1413 3.129818 2.769527 
1 1 1   -4   28    1 o  306.917   1.6460 91379.52  973.507 90719.09  1298.26 92227.87  1471.44  305.660   2.1881  308.174   2.4597 -2.513916 3.292059 
1 1 1   -4   28    2 o   45.177   0.7684  1983.18   67.300  2031.32   93.589  1931.61   96.848   45.746   1.0539   44.609   1.1184 1.137184 1.536762 
1 1 1   -4   28    3 o  301.732   1.7676 88003.62  1000.66 86836.70  1258.41 90010.38  1650.23  299.046   2.1678  304.417   2.7926 -5.371307 3.535253 
1 1 1   -4   28    4 o  104.145   2.0413 10873.34  231.704 10946.11  242.817 10132.50  774.734  106.190   1.1780  102.099   3.9090 4.090858 4.082633 
1 1 1   -4   28    5 o  152.156   1.5699 22488.89  395.813 22496.13  453.945 22465.90  808.424  152.226   1.5362  152.087   2.7383 0.1389618 3.139789 
1 1 1   -4   28    6 o  180.646   1.3176 31592.28  452.513 31238.95  582.160 32131.65  719.270  179.380   1.6719  181.913   2.0369 -2.533401 2.635145 
1 1 1   -4   28    7 o  124.808   1.0834 15064.58  254.558 14887.72  321.867 15359.97  415.963  123.838   1.3389  125.779   1.7037 -1.941025 2.166839 
1 1 1   -4   28    8 o   75.071   0.7803  5505.37  109.217  5598.19  137.218  5344.92  180.410   75.942   0.9308   74.201   1.2525 1.741173 1.560522 
1 1 1   -4   28    9 o  111.913   1.1371 12164.18  246.940 12325.42  345.983 11996.76  352.562  112.669   1.5819  111.156   1.6339 1.513641 2.274259 
1 1 1   -4   28   10 o   80.890   0.9351  6352.93  146.806  6219.68  207.287  6487.02  207.945   80.038   1.3342   81.741   1.3105 -1.702492 1.870145 
1 1 1   -4   28   11 o   40.961   0.6571  1621.85   52.132  1748.78   76.743  1513.09   71.039   42.443   0.9315   39.480   0.9270 2.963486 1.314103 
1 1 1   -4   28   12 o  152.525   1.3165 22624.04  387.872 22330.91  575.833 22867.51  524.782  151.613   1.9566  153.437   1.7619 -1.824066 2.632960 
1 1 1   -4   28   13 o   98.134   1.0396  9348.86  197.765  9410.30  287.725  9293.84  272.278   98.438   1.5057   97.829   1.4338 0.6084442 2.079168 
1 1 1   -4   28   14 o   40.407   0.7307  1577.39   57.047  1663.73   85.710  1508.71   76.438   41.395   1.0667   39.420   0.9989 1.974747 1.461361 
1 1 1   -4   28   15 o   44.061   3.2265  1985.99  256.382  1648.36  432.173  2169.34  318.476   40.963   5.4350   47.160   3.4789 -6.196621 6.453068 
1 1 1   -4   28   16 o   32.535   0.7951  1020.00   49.842  1091.16   76.157  966.682   65.921   33.519   1.1705   31.551   1.0763 1.968252 1.590116 
1 1 1   -4   28   17 o  113.178   1.1891 12434.87  260.955 12754.24  379.675 12148.93  359.263  114.551   1.7075  111.804   1.6553 2.746468 2.378142 
1 1 1   -4   28   18 o   38.450   0.7431  1434.70   55.145  1425.02   73.986  1446.81   82.715   38.306   0.9950   38.595   1.1041 -0.2891464 1.486258 
1 1 1   -4   28   19 o   58.984   0.7639  3376.66   86.199  3364.05  112.616  3394.50  133.950   58.854   0.9857   59.113   1.1673 -0.2583008 1.527851 
1 1 1   -4   28   20 o   50.652   0.8556  2500.50   83.620  2416.37  124.121  2570.42  113.152   49.866   1.2822   51.438   1.1332 -1.571678 1.711241 
1 1 1   -4   28   21 o   36.414   0.8665  1286.39   60.967  1266.38   82.076  1311.03   91.065   36.100   1.1712   36.727   1.2773 -0.6269073 1.733001 
1 1 1   -4   28   22 o   27.109   1.0916  715.125   57.391  677.629   80.886  753.140   81.444   26.392   1.5788   27.826   1.5078 -1.434513 2.183161 
1 1 1   -4   28   23 o   33.490   0.9600  1090.67   62.384  1046.51   87.614  1136.09   88.849   32.802   1.3760   34.179   1.3392 -1.376911 1.920065 
1 1 1   -4   28   24 o   25.568   1.2140  637.096   60.133  690.711   85.841  585.435   84.262   26.628   1.6607   24.509   1.7711 2.119249 2.427906 
1 1 1   -4   28   25 o   57.986   0.8709  3253.83   96.048  3180.79  123.358  3366.27  153.063   57.180   1.1114   58.792   1.3412 -1.612335 1.741799 
1 1 1   -4   28   26 f   17.876   1.8353  304.368   62.573  249.896   80.365  388.229   99.715   15.914   2.6015   19.837   2.5895 -3.923076 3.670580 
1 1 1   -4   28   27 o   14.206   2.2011  209.395   59.089  187.000   83.000  232.411   84.141   13.399   3.2290   15.013   2.9923 -1.613278 4.402299 
1 1 1   -4   28   28 o   29.434   1.1961  859.650   67.680  942.741   92.771  765.109   98.957   31.001   1.5416   27.868   1.8293 3.132923 2.392237 
1 1 1   -4   28   29 o   24.488   1.4154  599.959   66.753  676.755   93.684  520.759   95.139   26.134   1.8467   22.843   2.1455 3.290749 2.830845 
1 1 1   -4   28   30 o   8.2058   2.3366 -29.8512   68.862 -165.1388   94.950  120.267  100.019   5.4992   2.6875   10.912   3.8232 -5.413191 4.673295 
1 1 1   -4   28   31 o   26.710   1.4719  701.039   75.320  595.800   97.699  855.234  118.260   24.308   2.0705   29.112   2.0927 -4.803656 2.943843 
1 1 1   -4   28   32 o   21.518   2.0275  483.501   83.648  601.261  126.829  392.843  111.281   23.881   2.7359   19.154   2.9929 4.726709 4.054911 
1 1 1   -4   29    1 o  147.811   1.2085 21198.53  338.025 21154.13  432.031 21268.60  542.780  147.616   1.5077  148.005   1.8892 -0.3896942 2.417087 
1 1 1   -4   29    2 f  197.888   1.3957 37984.69  527.371 37816.05  685.794 38228.73  824.976  197.358   1.7901  198.419   2.1419 -1.060913 2.791419 
1 1 1   -4   29    3 o   43.524   1.7706  1661.55   56.302  1648.46   57.263  2041.61  308.592   41.211   0.7158   45.838   3.4681 -4.627129 3.541220 
1 1 1   -4   29    4 o  128.097   1.5409 15627.73  295.180 15458.47  325.359 16415.22  701.794  126.191   1.3282  130.002   2.7810 -3.810394 3.081865 
1 1 1   -4   29    5 o  125.334   1.5711 15178.44  296.174 15134.72  327.630 15373.85  692.710  124.862   1.3517  125.805   2.8365 -0.9435959 3.142138 
1 1 1   -4   29    6 f  232.369   1.4975 52344.56  666.924 51875.15  874.346 52997.66  1031.32  231.135   1.9487  233.603   2.2743 -2.468521 2.995000 
1 1 1   -4   29    7 o  217.531   1.4600 45772.66  606.599 44970.76  786.915 46946.96  952.264  215.202   1.8837  219.859   2.2312 -4.657074 2.920076 
1 1 1   -4   29    8 o  106.492   1.1390 11009.18  235.426 10874.50  330.110 11148.58  335.851  105.830   1.6069  107.155   1.6146 -1.325195 2.277951 
1 1 1   -4   29    9 o  144.253   1.3372 20201.99  374.276 19978.39  520.474 20441.45  538.604  143.428   1.8694  145.079   1.9125 -1.650665 2.674369 
1 1 1   -4   29   10 o  197.505   1.6032 37959.89  591.277 37692.39  979.011 38113.48  741.860  196.927   2.5610  198.084   1.9293 -1.156876 3.206445 
1 1 1   -4   29   11 o   66.547   0.8154  4299.60  105.325  4298.02  149.510  4301.17  148.402   66.535   1.1576   66.559   1.1486 -0.2449799E-01 1.630735 
1 1 1   -4   29   12 o  130.413   1.2918 16507.92  326.802 16845.92  472.633 16198.29  452.367  131.690   1.8489  129.137   1.8046 2.553696 2.583567 
1 1 1   -4   29   13 o   79.440   0.9172  6127.73  141.309  6136.95  204.395  6119.28  195.579   79.497   1.3245   79.384   1.2692 0.1128998 1.834436 
1 1 1   -4   29   14 o  108.577   1.1388 11436.36  239.234 11657.03  354.376 11251.58  324.280  109.534   1.6667  107.620   1.5523 1.914223 2.277564 
1 1 1   -4   29   15 o  149.276   1.3711 21664.11  395.516 21646.67  587.695 21678.55  534.736  149.209   2.0290  149.342   1.8446 -0.1326294 2.742153 
1 1 1   -4   29   16 o  101.711   1.1009 10057.38  216.859  9982.36  316.991 10123.37  297.324  101.350   1.6112  102.072   1.5006 -0.7218628 2.201768 
1 1 1   -4   29   17 o   69.566   0.8881  4700.21  119.817  4721.13  173.338  4681.07  165.808   69.713   1.2809   69.419   1.2304 0.2940521 1.776146 
1 1 1   -4   29   18 o   64.462   0.7786  4042.75   95.518  4070.17  123.697  4002.26  150.332   64.738   0.9843   64.186   1.2066 0.5519104 1.557125 
1 1 1   -4   29   19 o  106.193   1.0548 10897.73  211.401 10695.44  267.986 11231.01  343.974  104.913   1.3159  107.473   1.6488 -2.559212 2.109510 
1 1 1   -4   29   20 o   40.218   0.7942  1573.33   61.927  1634.89   86.720  1509.27   88.463   41.023   1.0890   39.414   1.1562 1.609791 1.588331 
1 1 1   -4   29   21 o   63.680   0.8300  3960.20  101.343  4074.43  134.372  3809.52  154.335   64.757   1.0690   62.603   1.2700 2.154171 1.659990 
1 1 1   -4   29   22 o   61.332   0.8269  3679.25   97.337  3828.56  129.877  3487.91  147.023   62.768   1.0659   59.895   1.2645 2.872250 1.653858 
1 1 1   -4   29   23 o   66.181   0.8674  4290.76  109.194  4432.18  142.300  4088.25  170.289   67.530   1.0855   64.832   1.3531 2.697601 1.734733 
1 1 1   -4   29   24 o   50.099   0.8530  2438.14   82.236  2418.07  109.104  2464.53  125.136   49.868   1.1271   50.331   1.2808 -0.4633598 1.706100 
1 1 1   -4   29   25 o   43.833   0.8856  1845.72   74.469  1717.52   96.877  2030.90  116.429   42.005   1.1881   45.662   1.3135 -3.656979 1.771147 
1 1 1   -4   29   26 o   6.6065   2.1278 -52.8616   59.950 -69.4555   81.154 -32.9285   88.945   6.1117   2.8398   7.1014   3.1696 -0.9897246 4.255632 
1 1 1   -4   29   27 f   8.6211   2.4408   39.270   62.403   56.462   87.089   21.130   89.460   9.0298   3.4928   8.2124   3.4103 0.8174152 4.881540 
1 1 1   -4   29   28 o   16.604   2.0400  298.026   61.226  160.314   86.943  433.503   86.234   12.306   3.4827   20.902   2.1253 -8.595950 4.080007 
1 1 1   -4   29   29 o   41.816   0.9839  1698.85   79.062  1593.54  103.471  1846.59  122.558   40.300   1.3226   43.333   1.4570 -3.032112 1.967808 
1 1 1   -4   29   30 o   13.339   2.5281  192.188   68.822  128.863   93.691  266.401  101.426   11.068   3.7055   15.610   3.4400 -4.541651 5.056151 
1 1 1   -4   29   31 o   15.274   2.4051  262.901   71.028  314.390   95.539  199.277  106.202   17.346   2.8373   13.201   3.8844 4.145385 4.810288 
1 1 1   -4   29   32 o   13.610   2.9227  225.639   85.011  191.080  124.816  255.542  116.103   12.618   4.2767   14.603   3.9848 -1.985134 5.845414 
1 1 1   -4   30    1 o   60.887   0.7310  3551.63   79.741  3479.26   95.359  3719.89  145.406   59.870   0.8205   61.904   1.2100 -2.033440 1.461996 
1 1 1   -4   30    2 o   65.833   0.7600  4185.02   91.207  4143.73  111.006  4270.83  160.012   65.337   0.8752   66.329   1.2427 -0.9919815 1.520006 
1 1 1   -4   30    3 o  209.601   1.6720 42511.52  625.929 42275.48  749.331 43056.42  1138.53  208.665   1.8499  210.537   2.7858 -1.871643 3.344099 
1 1 1   -4   30    4 o  314.533   1.8069 96091.42  1073.68 96087.09  1369.18 96098.34  1730.23  314.551   2.2423  314.516   2.8340 0.3518677E-01 3.613801 
1 1 1   -4   30    5 o  273.756   1.7667 72926.42  900.792 73265.24  1126.59 72325.85  1499.90  274.669   2.1130  272.842   2.8320 1.827209 3.533350 
1 1 1   -4   30    6 o   80.763   0.8207  6364.96  124.045  6458.83  156.530  6206.47  203.382   81.570   0.9886   79.957   1.3104 1.613365 1.641432 
1 1 1   -4   30    7 o   44.016   2.7836  1888.41  236.950  2085.56  336.181  1693.79  334.026   46.308   3.7398   41.724   4.1241 4.584530 5.567267 
1 1 1   -4   30    8 o  128.926   1.1513 16170.82  279.027 16263.97  353.541 16016.96  454.374  129.427   1.4072  128.426   1.8226 1.001129 2.302634 
1 1 1   -4   30    9 o  106.592   1.1566 11028.51  239.194 10879.11  332.127 11189.50  344.769  105.843   1.6165  107.341   1.6546 -1.497864 2.313195 
1 1 1   -4   30   10 o  209.405   1.4928 42640.93  603.010 42284.96  902.976 42927.44  810.130  208.603   2.2299  210.207   1.9854 -1.604401 2.985681 
1 1 1   -4   30   11 o   74.369   0.8680  5365.39  125.195  5471.50  181.706  5269.49  172.739   75.068   1.2469   73.670   1.2079 1.398010 1.736064 
1 1 1   -4   30   12 o   81.471   0.9413  6419.20  147.844  6660.12  224.282  6234.07  196.607   82.816   1.3951   80.127   1.2640 2.688995 1.882600 
1 1 1   -4   30   13 o   57.382   0.7746  3189.02   85.907  3281.41  128.352  3114.05  115.624   58.132   1.1374   56.632   1.0518 1.500031 1.549173 
1 1 1   -4   30   14 o   65.089   0.8393  4106.96  105.862  4233.42  155.208  3996.96  144.761   66.023   1.2110   64.154   1.1624 1.868790 1.678625 
1 1 1   -4   30   15 o  177.968   1.4637 30736.65  501.605 31299.52  762.247 30306.72  666.172  179.382   2.1890  176.555   1.9438 2.827240 2.927468 
1 1 1   -4   30   16 o   59.363   0.8362  3425.07   96.273  3261.13  136.348  3588.07  135.955   57.944   1.2122   60.782   1.1523 -2.837276 1.672475 
1 1 1   -4   30   17 o   25.772   1.0248  644.109   50.987  658.060   76.587  633.004   68.330   26.021   1.5163   25.523   1.3791 0.4971428 2.049657 
1 1 1   -4   30   18 o   59.001   0.7525  3375.70   84.399  3354.30  108.685  3408.19  133.954   58.770   0.9527   59.232   1.1650 -0.4618034 1.504949 
1 1 1   -4   30   19 o   47.664   0.7564  2221.38   69.219  2319.36   92.558  2097.04  104.266   48.868   0.9757   46.460   1.1561 2.407387 1.512817 
1 1 1   -4   30   20 o   77.533   0.8840  5819.02  129.698  5741.31  165.350  5943.27  209.096   76.873   1.1081   78.192   1.3776 -1.319374 1.767920 
1 1 1   -4   30   21 f   10.754   2.3035  110.087   54.256   65.840   75.614  157.045   77.896   9.0781   3.3073   12.429   3.2071 -3.351141 4.606953 
1 1 1   -4   30   22 o   38.162   0.9026  1414.92   66.813  1338.83   93.159  1495.51   95.876   37.105   1.2934   39.218   1.2594 -2.113079 1.805233 
1 1 1   -4   30   23 o   80.317   0.9323  6258.70  141.798  6202.99  181.183  6346.77  227.789   79.875   1.1685   80.758   1.4530 -0.8829575 1.864618 
1 1 1   -4   30   24 o   26.816   1.1901  700.796   61.932  676.074   86.556  726.730   88.651   26.331   1.6934   27.301   1.6728 -0.9701576 2.380298 
1 1 1   -4   30   25 o   45.434   0.8852  2006.95   77.070  1989.03  100.997  2031.94  119.250   45.203   1.1510   45.664   1.3453 -0.4606934 1.770493 
1 1 1   -4   30   26 o   30.447   1.1372  910.252   66.926  982.602   93.287  833.524   96.068   31.711   1.5155   29.182   1.6959 2.529097 2.274343 
1 1 1   -4   30   27 o   8.7454   2.2358   22.938   59.896  137.217   84.564 -92.1084   84.848   11.552   3.4824   5.9389   2.8050 5.612960 4.471569 
1 1 1   -4   30   28 o   34.358   1.0615  1163.58   70.502  1218.22   96.922  1102.19  102.740   35.239   1.4169   33.476   1.5810 1.763573 2.123021 
1 1 1   -4   30   29 o   14.952   2.2459  235.801   65.458  345.667   95.418  138.134   89.965   18.460   2.6628   11.443   3.6175 7.016386 4.491834 
1 1 1   -4   30   30 o   34.190   1.1575  1153.11   76.590  1075.39  103.543  1247.02  113.812   32.932   1.6197   35.447   1.6540 -2.514755 2.315012 
1 1 1   -4   30   31 o   22.231   1.7825  508.469   76.780  474.064  105.039  547.944  112.513   21.424   2.5257   23.038   2.5158 -1.614422 3.564915 
1 1 1   -4   31    1 o  104.011   0.9910 10409.34  190.861 10199.51  235.582 10810.11  325.589  102.503   1.1840  105.519   1.5895 -3.016357 1.982035 
1 1 1   -4   31    2 o  183.829   1.3479 32799.31  471.660 32739.52  609.695 32888.42  744.328  183.628   1.7104  184.029   2.0836 -0.4009552 2.695726 
1 1 1   -4   31    3 o   89.168   1.7939  8310.11  186.645  8470.25  197.813  7010.75  563.474   93.411   1.0909   84.926   3.4180 8.484886 3.587843 
1 1 1   -4   31    4 o  181.454   1.6411 31851.51  513.333 31702.15  600.197 32258.42  990.657  180.694   1.7111  182.213   2.8008 -1.519516 3.282123 
1 1 1   -4   31    5 o  189.522   1.6942 35228.02  562.736 35688.83  667.792 34099.23  1045.18  191.713   1.7944  187.331   2.8742 4.382950 3.388354 
1 1 1   -4   31    6 o  274.757   1.6309 73418.22  862.029 74007.35  1147.31 72654.49  1306.30  276.039   2.1411  273.475   2.4607 2.564697 3.261822 
1 1 1   -4   31    7 o  173.052   1.5029 29247.35  471.795 29539.51  574.467 28641.94  826.938  174.412   1.6968  171.693   2.4812 2.718826 3.005862 
1 1 1   -4   31    8 o   32.406   0.6014  1009.98   37.155  972.025   47.801  1067.91   59.056   31.644   0.7782   33.167   0.9172 -1.523178 1.202871 
1 1 1   -4   31    9 o   41.140   0.6511  1643.07   51.990  1670.94   73.656  1615.40   73.395   41.488   0.9146   40.792   0.9269 0.6954956 1.302143 
1 1 1   -4   31   10 o  106.211   1.1305 10952.83  233.027 10833.96  325.344 11078.06  333.924  105.620   1.5868  106.802   1.6107 -1.182228 2.261029 
1 1 1   -4   31   11 o  138.622   1.2882 18676.02  345.811 18522.17  505.874 18810.97  473.801  138.081   1.8873  139.162   1.7539 -1.080719 2.576459 
1 1 1   -4   31   12 o   61.035   0.7927  3615.92   93.873  3652.63  135.208  3581.76  130.434   61.334   1.1356   60.736   1.1063 0.5973473 1.585431 
1 1 1   -4   31   13 o  137.238   1.2851 18299.59  341.106 18356.82  504.702 18251.47  462.809  137.428   1.8919  137.048   1.7397 0.3800354 2.570143 
1 1 1   -4   31   14 o   43.331   0.7435  1823.52   62.144  1820.17   93.200  1826.21   83.387   43.294   1.1090   43.368   0.9905 -0.7403946E-01 1.486946 
1 1 1   -4   31   15 o   18.576   1.2819  340.680   44.751  313.126   71.377  358.526   57.444   17.943   2.0493   19.208   1.5406 -1.265312 2.563764 
1 1 1   -4   31   16 o   77.771   0.9460  5876.94  142.736  5851.04  205.019  5901.31  198.841   77.604   1.3610   77.939   1.3143 -0.3352966 1.891965 
1 1 1   -4   31   17 o   27.585   5.2000  713.758  289.397  1185.36  469.648  425.079  367.447   33.775   7.3704   21.395   7.3374 12.37960 10.40000 
1 1 1   -4   31   18 o   78.380   0.8790  5975.87  130.240  6000.22  166.436  5937.40  209.178   78.595   1.0909   78.164   1.3786 0.4308014 1.758022 
1 1 1   -4   31   19 o   87.088   0.9343  7380.42  154.074  7414.80  197.507  7326.99  246.260   87.360   1.1647   86.816   1.4613 0.5438461 1.868616 
1 1 1   -4   31   20 o   37.838   0.8429  1392.89   61.629  1408.21   83.537  1374.58   91.291   38.069   1.1304   37.607   1.2505 0.4621086 1.685736 
1 1 1   -4   31   21 o  104.681   1.0955 10701.69  218.769 10891.60  285.558 10431.85  340.385  105.833   1.3900  103.529   1.6937 2.304596 2.191064 
1 1 1   -4   31   22 o   54.729   0.8344  2901.06   88.050  2824.37  117.201  3000.42  133.409   53.906   1.1200   55.552   1.2371 -1.646111 1.668820 
1 1 1   -4   31   23 o   32.697   0.9864  1041.18   62.379  1050.39   84.879  1030.36   91.983   32.859   1.3307   32.536   1.4564 0.3223267 1.972790 
1 1 1   -4   31   24 o   37.526   0.9729  1372.21   70.424  1377.01   94.553  1366.22  105.540   37.608   1.2952   37.445   1.4520 0.1625786 1.945704 
1 1 1   -4   31   25 o   41.997   0.9200  1728.32   73.770  1774.87   96.738  1663.62  114.039   42.693   1.1673   41.301   1.4224 1.392162 1.840052 
1 1 1   -4   31   26 f   16.276   1.9931  267.540   61.604  274.442   86.065  260.289   88.219   16.631   2.6659   15.921   2.9636 0.7100754 3.986218 
1 1 1   -4   31   27 f   12.599   2.3227  166.621   59.255  110.277   83.727  223.158   83.871   10.571   3.5018   14.628   3.0524 -4.057197 4.645403 
1 1 1   -4   31   28 o   24.700   1.3771  605.011   65.996  631.724   94.366  579.436   92.332   25.239   1.9261   24.161   1.9687 1.078583 2.754192 
1 1 1   -4   31   29 o   11.194   2.3412  116.773   65.572  -6.7018   93.855  234.512   91.649   7.6335   3.3374   14.755   3.2843 -7.121590 4.682418 
1 1 1   -4   31   30 o   40.531   1.0416  1630.11   81.383  1678.98  109.874  1570.72  121.134   41.256   1.3720   39.806   1.5677 1.449997 2.083244 
1 1 1   -4   31   31 o   7.7579   2.4789 -47.1486   83.485 -139.4101  125.053   27.033  112.133   6.8256   3.2740   8.6902   3.7230 -1.864600 4.957860 
1 1 1   -4   32    1 f  176.751   1.3343 30276.15  447.337 30055.95  573.471 30618.38  714.920  175.940   1.6791  177.561   2.0742 -1.620743 2.668641 
1 1 1   -4   32    2 o  117.925   1.0988 13483.37  241.913 13434.64  302.850 13569.26  402.108  117.637   1.3262  118.214   1.7523 -0.5773010 2.197600 
1 1 1   -4   32    3 o  230.266   1.7405 51434.87  727.463 51304.56  883.443 51709.32  1282.10  229.848   1.9800  230.684   2.8631 -0.8356628 3.481084 
1 1 1   -4   32    4 o   88.531   1.7268  7936.93  180.423  8024.73  191.060  7213.59  548.388   90.920   1.0825   86.142   3.2795 4.778465 3.453563 
1 1 1   -4   32    5 o  148.305   1.6359 21303.48  389.011 21255.18  439.726 21477.38  834.386  147.956   1.5310  148.655   2.8915 -0.6987610 3.271825 
1 1 1   -4   32    6 o   81.331   0.8294  6385.46  124.891  6302.65  154.400  6542.18  212.406   80.576   0.9871   82.087   1.3330 -1.510818 1.658712 
1 1 1   -4   32    7 o  198.804   1.4223 38308.13  537.902 37969.84  693.205 38820.08  852.760  197.720   1.8061  199.887   2.1977 -2.167877 2.844665 
1 1 1   -4   32    8 o   74.314   0.8046  5410.29  111.887  5552.00  141.620  5174.92  182.511   75.624   0.9647   73.004   1.2879 2.619583 1.609134 
1 1 1   -4   32    9 o   81.432   0.8332  6446.69  127.325  6471.18  160.829  6405.55  208.412   81.643   1.0148   81.221   1.3219 0.4220047 1.666472 
1 1 1   -4   32   10 o  237.181   1.6877 54672.61  776.642 54565.07  1080.40 54787.61  1117.20  236.945   2.3489  237.417   2.4241 -0.4723206 3.375479 
1 1 1   -4   32   11 o   44.318   0.6959  1905.26   59.842  1975.48   86.027  1839.43   83.299   45.108   0.9825   43.527   0.9859 1.581009 1.391803 
1 1 1   -4   32   12 o   63.287   0.8074  3888.54   99.170  3799.95  139.278  3979.64  141.237   62.556   1.1470   64.018   1.1365 -1.462212 1.614702 
1 1 1   -4   32   13 o   53.886   0.7605  2820.04   79.540  2797.13  113.226  2842.36  111.761   53.670   1.0868   54.103   1.0642 -0.4327774 1.521046 
1 1 1   -4   32   14 o   50.038   3.1288  2408.28  294.197  2625.43  489.670  2285.63  368.025   51.723   4.8770   48.354   3.9209 3.369080 6.257668 
1 1 1   -4   32   15 o  138.341   1.3237 18580.11  354.080 18906.93  526.641 18310.51  478.328  139.440   1.9456  137.242   1.7954 2.197952 2.647478 
1 1 1   -4   32   16 o   73.781   0.9423  5287.38  134.716  5318.99  196.824  5259.52  184.782   73.986   1.3704   73.576   1.2938 0.4102783 1.884659 
1 1 1   -4   32   17 f   69.720   0.9240  4721.44  124.856  4748.95  182.001  4696.99  171.603   69.909   1.3411   69.530   1.2714 0.3795090 1.848016 
1 1 1   -4   32   18 o   48.168   0.7473  2259.37   69.141  2294.68   91.777  2213.04  105.139   48.607   0.9727   47.729   1.1348 0.8782158 1.494608 
1 1 1   -4   32   19 o   39.196   0.7666  1497.06   58.146  1594.18   81.061  1394.12   83.453   40.511   1.0308   37.880   1.1349 2.630413 1.533163 
1 1 1   -4   32   20 o   90.497   0.9825  7982.75  168.093  8050.86  215.105  7875.92  269.391   91.013   1.2175   89.981   1.5423 1.031975 1.964965 
1 1 1   -4   32   21 o   20.105   1.4959  407.002   55.979  279.384   80.134  528.638   78.233   16.910   2.4412   23.299   1.7297 -6.388914 2.991873 
1 1 1   -4   32   22 o   67.982   0.8835  4524.10  114.740  4678.31  150.974  4313.22  176.543   69.375   1.1211   66.589   1.3658 2.785942 1.766968 
1 1 1   -4   32   23 o   42.943   0.8943  1801.00   74.255  1935.70  103.419  1657.67  106.683   44.612   1.1942   41.273   1.3316 3.338478 1.788635 
1 1 1   -4   32   24 f   26.553   1.2310  685.773   63.198  658.750   85.020  719.141   94.476   25.976   1.6861   27.130   1.7939 -1.154139 2.461930 
1 1 1   -4   32   25 o   12.596   2.3813  164.117   59.371  167.516   83.798  160.690   84.129   12.721   3.3480   12.471   3.3874 0.2493505 4.762682 
1 1 1   -4   32   26 o   29.276   1.1053  841.732   62.573  891.513   86.622  787.410   90.486   30.197   1.4778   28.354   1.6440 1.842283 2.210530 
1 1 1   -4   32   27 f   46.067   0.8947  2074.25   79.607  2063.48  107.245  2087.46  118.803   45.951   1.2023   46.183   1.3252 -0.2322388 1.789335 
1 1 1   -4   32   28 o   32.408   1.1039  1034.45   69.376  1026.16   95.843  1043.57  100.552   32.281   1.5295   32.535   1.5921 -0.2532539 2.207762 
1 1 1   -4   32   29 o   7.7029   2.2436 -16.5598   63.273   87.981   87.006 -133.9063   92.181   9.7181   3.5466   5.6877   2.7490 4.030394 4.487258 
1 1 1   -4   32   30 o   12.019   2.4172  153.094   68.727   32.238   99.281  264.303   95.236   8.5075   3.5674   15.530   3.2628 -7.022841 4.834456 
1 1 1   -4   32   31 o   21.992   2.0491  509.160   85.981  546.706  136.266  484.324  110.828   22.504   3.1193   21.480   2.6579 1.023867 4.098114 
1 1 1   -4   33    1 o  110.231   1.0324 11730.10  211.199 11571.43  261.782 12025.91  357.445  109.175   1.2352  111.288   1.6546 -2.112625 2.064841 
1 1 1   -4   33    2 o   47.158   0.6997  2131.06   57.440  2097.11   67.374  2221.41  109.903   46.481   0.7467   47.835   1.1836 -1.354351 1.399441 
1 1 1   -4   33    3 o   88.730   1.6951  7773.58  177.819  7806.67  188.007  7492.80  547.622   89.675   1.0800   87.786   3.2136 1.889503 3.390235 
1 1 1   -4   33    4 o   78.268   1.7753  6104.41  143.667  6132.71  149.708  5774.89  510.864   79.482   0.9703   77.053   3.4155 2.429039 3.550608 
1 1 1   -4   33    5 o  112.543   1.6266 12051.12  248.946 11950.91  268.414 12667.78  665.820  110.947   1.2463  114.139   3.0051 -3.192528 3.253280 
1 1 1   -4   33    6 o  157.645   1.6928 24324.29  436.240 24473.55  498.067 23832.56  904.023  158.746   1.6163  156.544   2.9749 2.202194 3.385652 
1 1 1   -4   33    7 o  115.037   1.0773 12913.50  231.907 13090.31  292.538 12614.44  380.450  116.110   1.2979  113.963   1.7198 2.147255 2.154570 
1 1 1   -4   33    8 o  184.057   1.4336 32988.64  501.364 33289.99  647.547 32537.61  792.197  185.128   1.8019  182.986   2.2302 2.141495 2.867197 
1 1 1   -4   33    9 o   88.991   0.8984  7704.04  149.687  7745.03  188.531  7634.12  246.209   89.316   1.0874   88.665   1.4305 0.6511459 1.796864 
1 1 1   -4   33   10 o   16.349   1.1525  261.151   36.354  233.536   52.235  287.094   50.628   15.505   1.7355   17.193   1.5170 -1.687970 2.305007 
1 1 1   -4   33   11 o  159.586   1.3787 24740.78  424.428 24850.85  637.417 24653.11  568.877  159.893   2.0537  159.279   1.8399 0.6139526 2.757315 
1 1 1   -4   33   12 o   30.432   4.0177  937.892  220.565  894.921  372.485  961.095  273.711   29.528   6.6574   31.337   4.4996 -1.808620 8.035425 
1 1 1   -4   33   13 o   90.665   1.0266  7983.23  180.540  8048.45  261.066  7923.45  249.941   91.018   1.4776   90.312   1.4257 0.7065430 2.053274 
1 1 1   -4   33   14 o   41.148   0.7599  1648.36   60.536  1568.73   87.465  1721.58   83.870   40.190   1.1211   42.105   1.0261 -1.914555 1.519816 
1 1 1   -4   33   15 o   40.087   0.7669  1562.04   59.293  1548.88   88.854  1572.61   79.611   39.933   1.1463   40.241   1.0192 -0.3078842 1.533813 
1 1 1   -4   33   16 o  111.683   1.2738 12119.83  275.081 12246.36  408.359 12014.72  372.197  112.207   1.8748  111.159   1.7249 1.047905 2.547589 
1 1 1   -4   33   17 o   31.166   0.8996  947.018   53.841  920.698   81.784  967.150   71.527   30.780   1.3688   31.553   1.1678 -0.7722073 1.799246 
1 1 1   -4   33   18 o   74.992   2.1509  5707.46  152.388  5739.60  157.705  5254.87  591.848   76.868   1.0569   73.115   4.1700 3.752762 4.301870 
1 1 1   -4   33   19 o  133.251   1.2628 17317.93  320.614 17477.59  416.480 17085.66  502.323  134.043   1.6006  132.460   1.9536 1.583054 2.525567 
1 1 1   -4   33   20 o   46.069   0.8084  2055.26   72.073  1976.53   97.469  2150.25  107.057   45.101   1.1133   47.038   1.1725 -1.937233 1.616841 
1 1 1   -4   33   21 o   80.014   0.9524  6249.02  143.464  6320.80  182.469  6132.80  232.173   80.638   1.1657   79.389   1.5066 1.248619 1.904876 
1 1 1   -4   33   22 o   45.913   0.8463  2045.72   75.092  2008.90  101.128  2090.98  112.113   45.457   1.1461   46.369   1.2455 -0.9123459 1.692584 
1 1 1   -4   33   23 o   20.407   1.5443  409.148   60.752  353.424   85.778  465.230   86.054   18.996   2.3262   21.818   2.0318 -2.821852 3.088582 
1 1 1   -4   33   24 f   26.120   1.2277  671.948   61.587  778.383   86.676  563.421   87.524   28.241   1.5811   24.000   1.8787 4.241190 2.455454 
1 1 1   -4   33   25 o   39.100   0.9413  1491.53   71.266  1491.79   97.427  1491.23  104.518   39.111   1.2833   39.089   1.3774 0.2153015E-01 1.882578 
1 1 1   -4   33   26 o   8.2696   2.3664   33.207   58.775   37.201   86.790   29.823   79.880   8.4940   3.4226   8.0451   3.2687 0.4488678 4.732707 
1 1 1   -4   33   27 o   20.682   1.5338  425.713   61.358  471.170   87.481  381.699   86.081   21.792   2.0680   19.572   2.2658 2.220493 3.067640 
1 1 1   -4   33   28 o   16.832   1.9692  291.933   62.944  308.453   89.455  275.733   88.585   17.450   2.6409   16.215   2.9218 1.234554 3.938409 
1 1 1   -4   33   29 o   20.573   1.6837  429.740   67.118  458.585   94.973  400.958   94.867   21.294   2.2976   19.852   2.4618 1.441977 3.367424 
1 1 1   -4   33   30 o   26.659   1.4326  719.342   73.246  858.705  105.052  587.493  102.180   29.265   1.8492   24.053   2.1885 5.212280 2.865147 
1 1 1   -4   33   31 o   15.644   2.7082  281.426   80.147  329.910  128.561  250.604  102.503   16.600   4.0302   14.688   3.6187 1.912143 5.416398 
1 1 1   -4   34    1 o  183.856   1.4011 32748.75  487.300 32456.76  621.458 33214.89  785.202  182.811   1.7512  184.902   2.1876 -2.091019 2.802245 
1 1 1   -4   34    2 o   54.537   0.7213  2878.78   70.335  2865.34   84.294  2909.59  127.613   54.330   0.7993   54.744   1.2009 -0.4133797 1.442531 
1 1 1   -4   34    3 o   37.749   2.1571  1110.68   52.149  1096.65   52.756  1709.47  344.574   33.611   0.8086   41.887   4.2378 -8.275974 4.314202 
1 1 1   -4   34    4 o   71.440   1.9239  5215.08  128.907  5252.91  133.374  4678.59  502.279   73.560   0.9340   69.320   3.7327 4.239220 3.847749 
1 1 1   -4   34    5 o   52.904   2.8915  2714.30  295.321  2339.76  403.980  3144.20  432.802   48.995   4.2476   56.814   3.9244 -7.818962 5.783000 
1 1 1   -4   34    6 o  120.575   1.7225 13994.87  285.570 13938.81  308.927 14324.13  748.656  119.813   1.3283  121.336   3.1785 -1.523575 3.444901 
1 1 1   -4   34    7 o  196.744   1.4572 37669.72  546.056 37935.75  708.353 37280.09  857.258  197.621   1.8465  195.867   2.2547 1.753845 2.914310 
1 1 1   -4   34    8 o  124.416   1.1492 14995.00  266.890 14893.67  333.802 15174.58  444.368  123.846   1.3885  124.986   1.8315 -1.140587 2.298355 
1 1 1   -4   34    9 o   64.501   0.7220  4058.19   87.141  4112.05  109.905  3967.00  142.999   65.083   0.8699   63.919   1.1525 1.163380 1.443956 
1 1 1   -4   34   10 o   68.480   0.8536  4551.54  113.441  4669.91  162.655  4439.44  158.295   69.347   1.2083   67.614   1.2060 1.732803 1.707201 
1 1 1   -4   34   11 f   67.728   0.8358  4453.40  109.843  4500.55  157.920  4409.19  152.885   68.075   1.1950   67.382   1.1688 0.6936417 1.671622 
1 1 1   -4   34   12 o   97.376   1.0813  9195.52  203.955  9458.80  300.103  8969.54  278.032   98.667   1.5669   96.086   1.4906 2.580849 2.162655 
1 1 1   -4   34   13 o   44.541   0.7240  1926.48   62.595  1922.42   88.312  1930.57   88.736   44.493   1.0225   44.588   1.0252 -0.9417725E-01 1.447955 
1 1 1   -4   34   14 o   23.080   0.9693  514.290   43.261  554.486   64.711  481.807   58.172   23.890   1.3954   22.270   1.3456 1.619871 1.938525 
1 1 1   -4   34   15 o  100.716   1.1695  9843.52  227.749 10060.74  339.034  9664.88  307.448  101.721   1.7170   99.712   1.5884 2.008415 2.339032 
1 1 1   -4   34   16 o  117.668   1.3199 13422.02  299.994 13914.58  450.319 13029.00  402.251  119.592   1.9398  115.744   1.7903 3.847847 2.639711 
1 1 1   -4   34   17 o   20.456   1.3137  420.549   50.454  331.468   76.091  490.444   67.401   18.451   2.1245   22.460   1.5459 -4.009251 2.627397 
1 1 1   -4   34   18 o   13.551   1.7563  182.662   45.116  191.091   62.447  173.460   65.253   14.003   2.2974   13.099   2.6571 0.9038773 3.512604 
1 1 1   -4   34   19 o   26.154   1.0599  663.158   53.711  631.123   73.249  700.413   78.992   25.474   1.4813   26.834   1.5164 -1.360636 2.119876 
1 1 1   -4   34   20 o   22.298   1.2366  484.512   53.453  513.359   75.659  455.763   75.530   22.963   1.6974   21.632   1.7987 1.330534 2.473104 
1 1 1   -4   34   21 o   47.651   0.8181  2211.64   75.311  2256.34  102.242  2158.62  111.352   48.182   1.0931   47.120   1.2174 1.062698 1.636151 
1 1 1   -4   34   22 o   46.255   0.8515  2077.52   76.074  2049.49  102.278  2112.23  113.814   45.911   1.1476   46.600   1.2582 -0.6888390 1.702979 
1 1 1   -4   34   23 o   53.550   0.8540  2786.02   87.438  2762.22  113.962  2820.09  136.337   53.285   1.1018   53.815   1.3051 -0.5299263 1.707980 
1 1 1   -4   34   24 o   17.543   1.7826  303.904   60.568  283.405   86.219  323.875   85.103   16.947   2.6209   18.139   2.4170 -1.191954 3.565268 
1 1 1   -4   34   25 o   17.749   2.0225  329.400   65.439  259.319   99.384  383.040   86.948   15.792   3.3460   19.706   2.2730 -3.913882 4.045001 
1 1 1   -4   34   26 o   6.4599   2.0894 -57.0894   59.676 -93.5680   85.876 -23.0250   82.986   5.9575   2.8163   6.9622   3.0872 -1.004728 4.178760 
1 1 1   -4   34   27 o   28.939   1.1596  824.488   65.075  774.788   90.551  877.576   93.585   28.032   1.6641   29.847   1.6153 -1.815029 2.319127 
1 1 1   -4   34   28 f   11.058   2.4582  116.875   63.703  200.604   93.579   44.565   86.964   13.576   3.5211   8.5397   3.4313 5.036482 4.916468 
1 1 1   -4   34   29 o   10.728   2.5702  115.842   65.962  165.778   94.837   69.048   91.804   12.233   3.6879   9.2226   3.5808 3.010318 5.140331 
1 1 1   -4   34   30 o   16.595   2.2427  302.055   69.567  301.799  100.314  302.292   96.559   16.549   3.2386   16.642   3.1032 -0.9240532E-01 4.485346 
1 1 1   -4   35    1 o   43.216   0.7531  1798.01   55.674  1781.36   64.734  1845.31  109.113   42.838   0.7785   43.595   1.2894 -0.7568474 1.506149 
1 1 1   -4   35    2 o   83.079   1.0090  6701.79  162.708  6786.97  231.140  6618.11  229.082   83.602   1.4243   82.555   1.4295 1.046677 2.017919 
1 1 1   -4   35    3 o   80.390   1.8444  6606.67  156.161  6671.73  163.238  5904.63  536.184   82.899   1.0144   77.880   3.5467 5.018364 3.688877 
1 1 1   -4   35    4 o   71.635   2.0076  5401.59  134.626  5464.62  139.445  4536.75  516.552   75.026   0.9575   68.244   3.8993 6.782463 4.015110 
1 1 1   -4   35    5 o  102.660   1.7351 10163.56  222.801 10139.07  237.062 10348.91  652.217  102.190   1.1951  103.130   3.2579 -0.9396286 3.470211 
1 1 1   -4   35    6 f  129.207   1.7821 16374.45  327.211 16443.98  357.298 16012.94  814.662  130.132   1.4144  128.283   3.2715 1.848907 3.564151 
1 1 1   -4   35    7 o  190.196   1.4561 35060.72  525.593 34737.63  674.180 35561.39  839.237  189.102   1.8366  191.290   2.2601 -2.187134 2.912240 
1 1 1   -4   35    8 o   40.482   0.6272  1603.57   48.262  1657.68   62.817  1525.62   75.397   41.323   0.7831   39.641   0.9798 1.682091 1.254310 
1 1 1   -4   35    9 o   59.271   0.6996  3448.79   78.119  3579.43  100.212  3246.44  124.720   60.720   0.8502   57.822   1.1112 2.898430 1.399114 
1 1 1   -4   35   10 o   86.109   1.0058  7199.97  168.064  7116.56  233.902  7288.99  241.645   85.594   1.4077   86.624   1.4371 -1.029274 2.011693 
1 1 1   -4   35   11 o   74.721   0.9192  5416.62  133.211  5278.08  183.850  5569.72  193.282   73.717   1.2848   75.725   1.3149 -2.007965 1.838371 
1 1 1   -4   35   12 o   99.611   1.1135  9612.84  214.654  9998.62  318.469  9291.67  290.579  101.434   1.6174   97.789   1.5308 3.645393 2.226939 
1 1 1   -4   35   13 o   40.129   0.7205  1563.65   56.121  1549.14   78.889  1578.51   79.855   39.941   1.0175   40.318   1.0203 -0.3767433 1.440965 
1 1 1   -4   35   14 o   49.436   0.7555  2372.77   72.448  2393.79  104.694  2353.45  100.359   49.645   1.0864   49.226   1.0503 0.4189873 1.511044 
1 1 1   -4   35   15 o   78.212   0.9862  5941.76  149.511  5991.56  217.886  5897.44  205.534   78.520   1.4295   77.905   1.3591 0.6144409 1.972474 
1 1 1   -4   35   16 o   45.667   0.8153  2036.11   71.780  1922.56  106.110  2131.91   97.463   44.484   1.2288   46.849   1.0717 -2.365002 1.630505 
1 1 1   -4   35   17 o   91.479   1.0959  8131.14  194.199  8219.72  284.631  8054.00  265.629   91.940   1.5948   91.018   1.5034 0.9220428 2.191755 
1 1 1   -4   35   18 o   28.780   1.0312  810.755   57.131  754.791   84.629  857.614   77.440   27.857   1.5650   29.702   1.3431 -1.845116 2.062324 
1 1 1   -4   35   19 o   47.855   0.7643  2229.48   70.705  2277.08   96.313  2173.85  104.126   48.413   1.0248   47.298   1.1341 1.115250 1.528568 
1 1 1   -4   35   20 o   34.269   0.9035  1142.05   59.908  1143.48   81.554  1140.39   88.293   34.295   1.2250   34.243   1.3283 0.5142593E-01 1.806937 
1 1 1   -4   35   21 o   48.619   0.8373  2308.46   78.402  2389.97  105.588  2208.28  117.050   49.586   1.0970   47.652   1.2654 1.933743 1.674686 
1 1 1   -4   35   22 o   43.544   1.1847  1844.36  100.137  1844.36  100.137   0.0000   0.0000   43.544   1.1847  ?   ?       ?      ? 
1 1 1   -4   35   23 o   27.495   1.2192  738.476   64.959  740.787   89.366  735.887   94.589   27.545   1.6713   27.444   1.7756 0.1016197 2.438418 
1 1 1   -4   35   24 o   10.541   2.0679   91.375   56.471 -43.8624   81.453  216.543   78.362   6.5498   2.9686   14.533   2.8795 -7.983377 4.135703 
1 1 1   -4   35   25 o   33.140   1.0536  1075.78   67.650  1142.73   95.158  1007.37   96.194   34.194   1.4336   32.087   1.5444 2.106678 2.107236 
1 1 1   -4   35   26 o   26.237   1.4563  689.085   72.214  646.397  113.994  717.699   93.330   25.486   2.3042   26.989   1.7814 -1.503372 2.912519 
1 1 1   -4   35   27 o   12.762   2.3576  171.513   64.316   75.899   90.061  271.031   91.881   9.5019   3.5821   16.021   3.0660 -6.519548 4.715116 
1 1 1   -4   35   28 o   23.638   1.5070  560.061   69.136  549.294   96.652  571.343   98.933   23.407   2.1271   23.869   2.1352 -0.4622879 3.013923 
1 1 1   -4   35   29 o   10.288   2.5958  101.569   67.960  150.034   96.122   53.126   96.099   11.675   3.7444   8.9012   3.5962 2.773561 5.191664 
1 1 1   -4   35   30 f   9.8475   2.6925   78.338   81.095 -41.6456  132.735  149.798  102.437   8.1825   3.7398   11.513   3.8745 -3.330079 5.385008 
1 1 1   -4   36    1 o  225.807   1.5565 49461.91  672.400 49056.80  877.607 50037.75  1046.32  224.710   2.0119  226.903   2.3755 -2.192596 3.113031 
1 1 1   -4   36    2 o  119.618   1.1092 13845.93  247.633 13716.84  309.472 14075.72  412.883  118.855   1.3413  120.381   1.7669 -1.525993 2.218339 
1 1 1   -4   36    3 o   42.016   2.7564  2029.35   68.407  2047.38   69.411  1419.39  403.719   45.925   0.7786   38.108   5.4576 7.817295 5.512841 
1 1 1   -4   36    4 o   46.535   2.2252  1934.58   66.005  1925.08   66.865  2297.05  412.928   44.532   0.7735   48.538   4.3826 -4.005291 4.450322 
1 1 1   -4   36    5 f   24.233   3.4207  975.115   49.991  993.607   50.505   79.721  351.429   31.993   0.8132   16.473   6.7929 15.51955 6.841416 
1 1 1   -4   36    6 o  182.928   1.7926 32843.77  547.804 33147.79  632.158 31927.19  1097.65  184.726   1.7629  181.131   3.1218 3.595139 3.585184 
1 1 1   -4   36    7 o   55.815   0.6853  3036.86   71.879  3074.70   91.194  2974.78  116.796   56.278   0.8348   55.352   1.0870 0.9260902 1.370550 
1 1 1   -4   36    8 f   80.686   0.8417  6295.59  125.994  6233.56  156.256  6410.88  213.019   80.126   1.0046   81.246   1.3507 -1.119804 1.683327 
1 1 1   -4   36    9 o   13.199   1.3834  167.951   33.660  120.537   44.391  232.086   51.628   10.943   2.1664   15.454   1.7210 -4.511354 2.766804 
1 1 1   -4   36   10 o   86.825   0.8844  7282.01  142.818  7185.40  177.513  7459.31  240.480   86.021   1.0631   87.629   1.4137 -1.607986 1.768833 
1 1 1   -4   36   11 o   75.514   0.9394  5537.62  137.677  5711.07  196.404  5370.04  193.048   76.677   1.3195   74.352   1.3376 2.325401 1.878886 
1 1 1   -4   36   12 o   59.557   0.7874  3440.83   90.979  3561.27  131.505  3330.27  125.999   60.555   1.1187   58.559   1.1084 1.996548 1.574860 
1 1 1   -4   36   13 o   28.280   0.8129  777.040   44.512  851.495   63.587  705.500   62.330   29.609   1.1063   26.950   1.1914 2.659077 1.625868 
1 1 1   -4   36   14 o   89.494   1.0593  7783.17  183.502  7799.65  269.983  7769.02  250.170   89.578   1.5526   89.411   1.4414 0.1670227 2.118558 
1 1 1   -4   36   15 o  151.302   1.5473 22186.54  451.237 23106.74  685.577 21483.21  599.367  154.035   2.2928  148.569   2.0783 5.465256 3.094548 
1 1 1   -4   36   16 o  159.141   1.6115 24683.97  493.320 24575.23  748.871 24767.33  655.695  158.792   2.4295  159.490   2.1179 -0.6989746 3.223018 
1 1 1   -4   36   17 o   83.166   1.0331  6710.76  166.188  6879.13  246.983  6571.46  224.652   84.112   1.5127   82.219   1.4076 1.892563 2.066259 
1 1 1   -4   36   18 o   73.562   0.9808  5262.62  139.768  5245.53  204.113  5277.71  191.788   73.445   1.4317   73.678   1.3410 -0.2335587 1.961596 
1 1 1   -4   36   19 o   10.173   2.2160  101.250   48.065   97.259   66.918  105.504   69.082   9.9941   3.1141   10.352   3.1535 -0.3578453 4.431951 
1 1 1   -4   36   20 o   73.290   0.9045  5201.92  124.673  5138.91  157.400  5308.00  204.240   72.713   1.1151   73.867   1.4244 -1.153923 1.808966 
1 1 1   -4   36   21 o   24.160   1.2621  571.607   58.875  630.276   82.504  510.730   84.042   25.436   1.6710   22.885   1.8918 2.550879 2.524118 
1 1 1   -4   36   22 f   96.330   1.1022  9092.39  198.527  9222.38  250.263  8871.72  326.062   97.323   1.3247   95.338   1.7618 1.984489 2.204302 
1 1 1   -4   36   23 o   30.092   1.1301  882.317   65.908  854.612   90.207  914.042   96.531   29.589   1.5705   30.594   1.6254 -1.005375 2.260181 
1 1 1   -4   36   24 o   24.700   1.3164  602.217   62.085  738.558   88.923  472.543   86.722   27.471   1.6676   21.929   2.0373 5.541939 2.632730 
1 1 1   -4   36   25 o   22.809   1.4175  514.054   62.497  566.813   88.271  461.022   88.498   24.004   1.8944   21.614   2.1093 2.390224 2.835099 
1 1 1   -4   36   26 o   9.6490   2.4566   84.421   58.865   74.754   86.467   92.772   80.364   9.4350   3.5192   9.8631   3.4286 -0.4280643 4.913242 
1 1 1   -4   36   27 o   16.888   2.2847  292.643   70.277  349.111  116.489  260.331   88.119   18.060   3.4486   15.717   2.9977 2.343265 4.569344 
1 1 1   -4   36   28 o   29.382   1.2485  861.028   70.922  777.823  100.682  942.981   99.922   27.932   1.8569   30.833   1.6695 -2.901115 2.497051 
1 1 1   -4   36   29 f   17.848   2.0931  339.352   70.701  316.752  101.169  360.925   98.844   17.062   3.1713   18.634   2.7327 -1.571667 4.186293 
1 1 1   -4   36   30 o   27.462   1.6366  787.622   85.522  724.560  131.032  834.422  112.880   26.303   2.5663   28.621   2.0317 -2.317419 3.273175 
1 1 1   -4   37    1 o  107.902   1.0256 11263.96  206.323 11155.94  257.472 11457.79  344.900  107.190   1.2374  108.615   1.6358 -1.425011 2.051128 
1 1 1   -4   37    2 o   71.945   2.1224  5878.21  145.560  6025.67  151.581  4131.82  521.650   78.783   0.9912   65.107   4.1275 13.67596 4.244845 
1 1 1   -4   37    3 o   74.001   1.9770  5126.75  129.814  5102.72  133.414  5554.08  562.592   72.499   0.9480   75.502   3.8386 -3.002930 3.953900 
1 1 1   -4   37    4 o  111.036   1.7985 11678.46  249.315 11586.20  264.849 12396.51  738.861  109.234   1.2490  112.838   3.3732 -3.603249 3.597026 
1 1 1   -4   37    5 o   77.049   2.0391  6086.48  149.679  6134.83  155.075  5427.60  572.411   79.491   1.0050   74.607   3.9524 4.884186 4.078193 
1 1 1   -4   37    6 o   72.486   2.1453  5356.20  136.773  5386.93  140.863  4850.00  571.729   74.488   0.9742   70.484   4.1786 4.003159 4.290664 
1 1 1   -4   37    7 o   72.338   0.7908  5105.50  106.409  5167.47  133.123  4995.85  177.083   72.954   0.9400   71.722   1.2719 1.231560 1.581579 
1 1 1   -4   37    8 o  184.605   1.5512 33130.73  523.619 33108.44  640.686 33175.57  908.677  184.573   1.7882  184.638   2.5353 -0.6500244E-01 3.102452 
1 1 1   -4   37    9 o   68.132   0.7659  4450.65   96.043  4333.50  117.590  4685.41  166.462   66.808   0.9067   69.457   1.2346 -2.649269 1.531817 
1 1 1   -4   37   10 o   56.654   0.6897  3138.48   73.566  3209.91   93.855  3024.67  118.467   57.499   0.8409   55.809   1.0935 1.689991 1.379452 
1 1 1   -4   37   11 o   45.433   0.7203  2004.75   63.512  2052.39   89.836  1957.14   89.804   45.973   1.0067   44.893   1.0305 1.079987 1.440585 
1 1 1   -4   37   12 o   18.852   1.0940  345.649   39.983  351.122   55.405  339.701   57.758   19.009   1.5015   18.696   1.5915 0.3130894 2.188021 
1 1 1   -4   37   13 o  101.002   1.1310  9915.03  221.473  9950.43  321.695  9883.14  305.363  101.170   1.6381  100.835   1.5601 0.3350449 2.262085 
1 1 1   -4   37   14 o   23.863   1.0046  552.868   46.464  562.938   67.841  543.971   63.768   24.067   1.4521   23.660   1.3885 0.4075813 2.009105 
1 1 1   -4   37   15 o   27.939   1.0031  761.541   53.856  737.453   81.478  780.231   71.771   27.543   1.5240   28.336   1.3048 -0.7935677 2.006214 
1 1 1   -4   37   16 o   25.321   1.1008  629.536   52.461  597.579   84.174  649.832   67.082   24.785   1.7496   25.858   1.3364 -1.073263 2.201622 
1 1 1   -4   37   17 o   52.071   0.8428  2627.96   84.478  2688.10  128.663  2582.39  112.002   52.590   1.2603   51.553   1.1192 1.036827 1.685542 
1 1 1   -4   37   18 o   58.573   0.9029  3338.25  102.549  3240.63  147.131  3430.49  143.009   57.736   1.3128   59.409   1.2401 -1.672344 1.805868 
1 1 1   -4   37   19 f   45.015   0.7994  1974.30   69.452  2016.46   93.883  1923.34  103.221   45.551   1.0617   44.480   1.1955 1.071754 1.598899 
1 1 1   -4   37   20 o   70.669   0.8932  4841.25  118.741  4794.78  150.054  4919.10  194.211   70.234   1.1006   71.105   1.4071 -0.8712769 1.786382 
1 1 1   -4   37   21 o   35.072   0.9501  1208.36   64.070  1326.17   87.863  1074.57   93.629   36.922   1.2259   33.221   1.4519 3.701557 1.900206 
1 1 1   -4   37   22 o   29.693   1.1055  858.105   63.612  790.599   87.879  932.411   92.199   28.466   1.5903   30.920   1.5361 -2.453180 2.211074 
1 1 1   -4   37   23 o   49.551   0.8638  2396.99   82.390  2430.18  110.045  2354.64  124.285   49.956   1.1348   49.147   1.3027 0.8083763 1.727684 
1 1 1   -4   37   24 o   11.098   2.2702  113.358   58.650  210.411   84.595   23.535   81.384   14.235   3.1453   7.9622   3.2744 6.272353 4.540352 
1 1 1   -4   37   25 o   24.236   1.3108  578.297   61.402  582.648   91.321  574.707   82.951   24.303   1.9357   24.169   1.7681 0.1339035 2.621660 
1 1 1   -4   37   26 o   27.638   1.2227  754.266   65.574  783.053   93.399  726.281   92.087   28.164   1.7084   27.113   1.7497 1.051311 2.445391 
1 1 1   -4   37   27 o   14.403   2.3556  224.728   64.940  264.498   91.779  184.853   91.900   15.772   3.1082   13.034   3.5404 2.738084 4.711216 
1 1 1   -4   37   28 o   20.234   1.9749  413.339   76.049  476.290  122.966  374.346   96.777   21.372   2.9639   19.096   2.6107 2.276167 3.949797 
1 1 1   -4   37   29 o   8.2470   2.4424   28.767   66.518   0.6976   94.608   56.208   93.542   7.6562   3.3490   8.8378   3.5560 -1.181633 4.884731 
1 1 1   -4   38    1 o  115.760   1.0843 13017.49  234.660 13022.82  294.604 13008.24  388.121  115.804   1.3105  115.717   1.7278 0.8689880E-01 2.168633 
1 1 1   -4   38    2 f  111.656   1.8251 12274.71  264.096 12326.94  283.108 11924.59  733.020  112.667   1.2945  110.644   3.4129 2.023003 3.650122 
1 1 1   -4   38    3 o  138.008   1.8656 18766.92  371.272 18887.70  407.086 18169.69  905.231  139.449   1.5039  136.566   3.4147 2.882080 3.731170 
1 1 1   -4   38    4 o   39.799   3.0396  1793.20   65.201  1804.80   65.975  1307.79  426.883   43.117   0.7883   36.482   6.0279 6.635445 6.079243 
1 1 1   -4   38    5 o   81.524   2.1237  6939.76  168.631  7018.30  175.171  5946.44  622.951   85.018   1.0614   78.031   4.1127 6.986900 4.247429 
1 1 1   -4   38    6 o   46.797   3.1169  2486.48   75.735  2501.52   76.570  1807.68  514.265   50.761   0.7771   42.832   6.1851 7.928825 6.233744 
1 1 1   -4   38    7 o   65.138   0.7432  4133.35   90.215  4168.17  113.022  4072.20  149.766   65.521   0.8886   64.754   1.1915 0.7672501 1.486341 
1 1 1   -4   38    8 o   56.341   0.6927  3063.56   72.373  3020.15   89.620  3144.95  122.711   55.774   0.8278   56.908   1.1108 -1.133957 1.385323 
1 1 1   -4   38    9 o  182.149   1.4946 32487.69  515.439 33307.77  664.341 31247.46  816.991  185.101   1.8489  179.197   2.3487 5.904007 2.989105 
1 1 1   -4   38   10 o  104.067   1.0164 10502.72  197.445 10451.90  247.077 10592.52  328.437  103.734   1.2270  104.400   1.6206 -0.6667480 2.032732 
1 1 1   -4   38   11 f   18.902   1.1271  346.821   41.329  364.026   59.566  330.849   57.390   19.354   1.5855   18.450   1.6024 0.9032669 2.254211 
1 1 1   -4   38   12 o   99.630   1.1136  9634.94  215.075  9900.94  313.940  9399.67  295.244  100.922   1.6025   98.339   1.5466 2.582718 2.227129 
1 1 1   -4   38   13 o   61.410   0.8386  3662.35   99.958  3731.76  142.936  3595.93  139.838   61.980   1.1880   60.841   1.1840 1.138275 1.677299 
1 1 1   -4   38   14 o   58.723   0.8213  3347.52   93.561  3181.36  130.580  3522.81  134.122   57.226   1.1755   60.220   1.1474 -2.994038 1.642626 
1 1 1   -4   38   15 o  165.544   1.6481 26642.39  524.947 27158.64  800.592 26253.03  695.274  166.907   2.4710  164.181   2.1816 2.726379 3.296212 
1 1 1   -4   38   16 o   23.036   1.2311  509.164   53.599  546.844   87.647  486.655   67.741   23.701   1.9050   22.370   1.5600 1.331526 2.462247 
1 1 1   -4   38   17 o   22.059   1.3231  470.306   56.135  498.851   86.376  449.434   73.859   22.630   1.9663   21.487   1.7708 1.142784 2.646101 
1 1 1   -4   38   18 o   83.547   1.0996  6775.62  177.972  7048.49  261.850  6541.33  242.630   85.103   1.5851   81.992   1.5244 3.110504 2.199154 
1 1 1   -4   38   19 o   18.140   1.5172  321.117   51.686  438.891   76.348  221.475   70.226   21.224   1.8532   15.057   2.4027 6.166808 3.034342 
1 1 1   -4   38   20 o   62.012   0.8512  3764.95  100.633  3884.13  131.696  3597.71  156.004   63.212   1.0733   60.813   1.3215 2.399197 1.702454 
1 1 1   -4   38   21 o   55.456   0.8349  2989.94   88.891  2976.38  117.217  3008.30  136.366   55.318   1.0916   55.594   1.2636 -0.2759552 1.669798 
1 1 1   -4   38   22 o   38.231   0.9165  1429.78   67.735  1535.73   94.204  1316.36   97.463   39.711   1.2221   36.750   1.3662 2.960896 1.833005 
1 1 1   -4   38   23 o   11.969   2.3270  147.034   57.829  198.728   81.323   94.157   82.249   13.857   3.1007   10.081   3.4706 3.776747 4.653965 
1 1 1   -4   38   24 o   48.166   0.8648  2263.29   80.271  2260.09  107.242  2267.37  121.049   48.143   1.1475   48.190   1.2940 -0.4693985E-01 1.729557 
1 1 1   -4   38   25 o   34.559   0.9733  1170.03   65.291  1185.70   92.719  1154.61   91.956   34.790   1.3729   34.329   1.3799 0.4607315 1.946579 
1 1 1   -4   38   26 o   16.023   2.0780  265.650   63.131  300.414   91.765  234.411   86.988   17.192   2.7497   14.854   3.1163 2.338511 4.155925 
1 1 1   -4   38   27 o   35.661   1.1040  1257.57   76.259  1274.16  104.890  1238.97  111.068   35.934   1.5037   35.389   1.6168 0.5449295 2.207987 
1 1 1   -4   38   28 o   33.740   1.1631  1130.94   75.969  1120.80  103.484  1142.80  111.878   33.604   1.5864   33.876   1.7013 -0.2719002 2.326233 
1 1 1   -4   38   29 o   9.5311   2.7344   49.775   81.619  134.942  123.873 -15.5654  108.501   11.257   4.2095   7.8053   3.4910 3.451659 5.468721 
1 1 1   -4   39    1 o  140.917   1.2571 19222.79  330.610 19032.44  413.079 19562.03  551.455  139.972   1.5203  141.861   2.0025 -1.889130 2.514242 
1 1 1   -4   39    2 o   96.607   1.9429  9334.24  212.658  9394.00  223.811  8779.08  682.180   98.355   1.1723   94.859   3.7047 3.495247 3.885746 
1 1 1   -4   39    3 o   64.338   2.3215  3978.83  106.772  3974.65  108.678  4094.96  572.622   63.983   0.8750   64.693   4.5598 -0.7093811 4.643009 
1 1 1   -4   39    4 o   61.204   2.2895  3977.52  106.050  4008.03  108.443  3309.39  507.518   64.251   0.8695   58.156   4.4957 6.095436 4.578970 
1 1 1   -4   39    5 o   39.238   3.7481  1960.16   67.741  1977.40   68.454  1145.99  470.468   45.131   0.7814   33.345   7.4554 11.78584 7.496260 
1 1 1   -4   39    6 o   72.403   2.2143  5614.39  141.838  5683.10  146.403  4564.02  572.442   76.504   0.9858   68.302   4.3175 8.201874 4.428607 
1 1 1   -4   39    7 o   72.522   2.2020  5543.16  139.289  5597.01  143.545  4675.20  576.292   75.922   0.9740   69.121   4.2950 6.800819 4.404068 
1 1 1   -4   39    8 f   51.889   0.8495  2596.54   83.918  2707.74  133.554  2523.99  107.873   52.797   1.3031   50.980   1.0900 1.816734 1.698914 
1 1 1   -4   39    9 o  139.509   1.2608 18880.59  328.859 18774.86  412.315 19065.46  545.193  139.003   1.5281  140.016   2.0059 -1.013824 2.521616 
1 1 1   -4   39   10 o   54.065   0.6782  2805.29   67.939  2730.85   83.804  2948.02  116.038   53.034   0.8140   55.095   1.0850 -2.061058 1.356407 
1 1 1   -4   39   11 o   33.158   0.7070  1098.20   43.114  1174.09   54.128  966.481   71.307   34.774   0.8019   31.543   1.1646 3.230631 1.413941 
1 1 1   -4   39   12 o   34.447   0.7763  1151.93   51.893  1180.63   74.494  1124.87   72.330   34.864   1.1007   34.031   1.0949 0.8331070 1.552559 
1 1 1   -4   39   13 o   57.363   0.8027  3197.03   89.359  3119.24  126.450  3274.63  126.295   56.666   1.1496   58.061   1.1206 -1.395592 1.605352 
1 1 1   -4   39   14 o   39.224   0.7725  1494.35   58.789  1556.75   83.719  1433.64   82.574   40.033   1.0773   38.416   1.1073 1.616417 1.544903 
1 1 1   -4   39   15 o   32.206   0.8975  1016.76   55.557  929.213   82.330  1089.95   75.281   30.919   1.3717   33.493   1.1579 -2.574648 1.795083 
1 1 1   -4   39   16 o   58.078   0.8798  3271.36   98.754  3352.17  147.486  3205.69  132.959   58.723   1.2938   57.433   1.1926 1.290726 1.759624 
1 1 1   -4   39   17 o   57.790   0.9103  3251.95  101.937  3122.53  146.633  3373.00  141.808   56.672   1.3329   58.908   1.2401 -2.235828 1.820585 
1 1 1   -4   39   18 f   27.286   1.1817  746.305   60.313  630.578   94.579  825.620   78.299   25.437   1.9154   29.134   1.3845 -3.697702 2.363399 
1 1 1   -4   39   19 o   57.236   0.8207  3195.00   89.962  3249.77  118.518  3120.55  138.186   57.824   1.0559   56.647   1.2567 1.177444 1.641372 
1 1 1   -4   39   20 o   27.279   1.1235  730.692   58.996  817.114   82.084  638.342   84.852   28.969   1.4597   25.589   1.7082 3.379387 2.246913 
1 1 1   -4   39   21 o   17.059   1.7116  286.017   56.609  281.853   81.791  289.846   78.429   16.934   2.4881   17.184   2.3512 -0.2498989 3.423247 
1 1 1   -4   39   22 o   9.5565   2.3703   76.603   55.889  114.769   80.837   41.655   77.355   10.789   3.4310   8.3241   3.2713 2.464755 4.740574 
1 1 1   -4   39   23 o   20.562   1.5369  425.330   59.929  335.960   87.212  505.285   82.490   18.433   2.4374   22.691   1.8728 -4.258556 3.073762 
1 1 1   -4   39   24 o   9.1564   2.4359   65.465   58.742   75.933   86.611   56.549   79.938   9.5402   3.5293   8.7727   3.3585 0.7675390 4.871859 
1 1 1   -4   39   25 o   20.780   1.5272  428.200   61.432  475.509   89.769  386.530   84.249   21.866   2.1149   19.694   2.2037 2.172018 3.054350 
1 1 1   -4   39   26 o   9.3597   2.4838   72.509   61.877   96.659   86.899   47.671   88.128   10.048   3.5597   8.6719   3.4648 1.375695 4.967534 
1 1 1   -4   39   27 o   16.957   2.1010  302.039   67.739  317.601   97.777  287.677   93.935   17.517   2.8754   16.396   3.0641 1.121502 4.201988 
1 1 1   -4   39   28 o   8.6976   2.5058   47.890   66.845   33.817   97.052   60.592   92.202   8.4483   3.5338   8.9469   3.5538 -0.4985962 5.011666 
1 1 1   -4   39   29 o   12.022   2.8595  158.725   78.172  225.963  125.735  116.359   99.806   13.602   4.2736   10.442   3.8004 3.159413 5.718983 
1 1 1   -4   40    1 o   47.178   0.7431  2139.10   61.378  2110.58   72.305  2212.62  116.115   46.626   0.7989   47.730   1.2532 -1.104427 1.486197 
1 1 1   -4   40    2 o   62.158   2.2449  4055.23  111.164  4085.31  113.931  3458.26  507.503   64.866   0.9048   59.449   4.3978 5.417622 4.489865 
1 1 1   -4   40    3 o   65.222   2.3601  4467.80  117.616  4498.00  120.291  3811.28  560.839   68.064   0.9104   62.380   4.6316 5.683575 4.720195 
1 1 1   -4   40    4 o   51.900   2.2556  2532.49   79.524  2526.34   80.770  2727.51  454.643   51.011   0.8157   52.788   4.4368 -1.776970 4.511141 
1 1 1   -4   40    5 o   15.998   3.9039  149.968   45.345  148.617   45.627  258.255  408.534   12.364   1.9010   19.632   7.5729 -7.267435 7.807865 
1 1 1   -4   40    6 o   63.714   2.1577  4108.91  110.197  4124.38  112.861  3792.80  510.235   65.175   0.8921   62.254   4.2222 2.921455 4.315431 
1 1 1   -4   40    7 o   58.182   2.5982  3648.64  103.412  3674.45  105.324  2957.07  545.215   61.517   0.8820   54.846   5.1210 6.670784 5.196398 
1 1 1   -4   40    8 o   42.281   0.6702  1728.55   52.541  1711.49   65.116  1760.38   88.946   41.986   0.7989   42.576   1.0762 -0.5900192 1.340353 
1 1 1   -4   40    9 o   61.128   0.7344  3662.30   83.902  3757.95  106.008  3501.92  137.272   62.211   0.8778   60.045   1.1777 2.166553 1.468876 
1 1 1   -4   40   10 o   39.485   0.8667  1509.62   64.360  1534.60  105.346  1494.75   81.295   39.741   1.3656   39.230   1.0675 0.5107956 1.733325 
1 1 1   -4   40   11 f   41.120   0.6821  1660.19   53.132  1733.06   68.921  1553.45   83.416   42.247   0.8404   39.992   1.0745 2.254539 1.364130 
1 1 1   -4   40   12 f   45.055   0.7597  1970.33   66.417  2026.20   95.452  1917.90   92.473   45.673   1.0766   44.436   1.0721 1.237164 1.519339 
1 1 1   -4   40   13 o   27.568   0.8961  738.722   47.933  763.629   67.738  713.744   67.836   28.034   1.2447   27.102   1.2894 0.9322166 1.792192 
1 1 1   -4   40   14 o   74.023   0.9575  5322.10  137.353  5384.12  200.606  5267.36  188.455   74.426   1.3885   73.619   1.3187 0.8061676 1.914948 
1 1 1   -4   40   15 o  110.729   1.3787 11936.32  296.298 12121.00  424.007 11760.06  414.221  111.565   1.9579  109.894   1.9418 1.670631 2.757463 
1 1 1   -4   40   16 o   31.733   0.9908  983.376   60.164  952.629   92.472  1005.94   79.226   31.295   1.5222   32.170   1.2687 -0.8742867 1.981564 
1 1 1   -4   40   17 o   14.776   2.0921  218.084   57.007  239.749   90.536  203.852   73.380   15.359   3.1426   14.194   2.7627 1.165175 4.184271 
1 1 1   -4   40   18 f   38.749   0.9646  1462.77   71.764  1444.42  109.528  1476.58   94.995   38.529   1.4644   38.969   1.2558 -0.4392853 1.929133 
1 1 1   -4   40   19 o   35.041   0.9314  1191.10   63.127  1156.70   85.200  1232.97   93.995   34.484   1.2728   35.598   1.3603 -1.113266 1.862869 
1 1 1   -4   40   20 o   9.5491   2.4010   78.374   56.064   86.698   77.715   69.340   80.957   9.7896   3.3734   9.3085   3.4175 0.4810972 4.801972 
1 1 1   -4   40   21 o   41.860   0.8754  1703.44   71.014  1655.36   97.164  1758.57  104.048   41.230   1.2140   42.491   1.2615 -1.260365 1.750749 
1 1 1   -4   40   22 o   10.882   2.2172  106.533   54.097  197.732   81.875   35.872   72.068   13.821   3.1250   7.9433   3.1461 5.877799 4.434341 
1 1 1   -4   40   23 o   7.1988   2.1538 -27.2383   54.809   58.793   86.317 -85.3597   70.948   9.0688   3.4856   5.3288   2.5310 3.739921 4.307579 
1 1 1   -4   40   24 o   18.703   1.7571  364.585   59.711  266.211   87.032  452.068   82.073   16.022   2.9053   21.384   1.9772 -5.361330 3.514237 
1 1 1   -4   40   25 o   7.1968   2.2317 -13.6741   60.333 -38.6514   86.826   9.6461   83.896   6.7823   3.0703   7.6114   3.2395 -0.8290629 4.463328 
1 1 1   -4   40   26 o   28.963   1.2120  831.564   67.936  751.696   95.349  913.913   96.818   27.525   1.7845   30.401   1.6406 -2.876228 2.424072 
1 1 1   -4   40   27 o   15.855   2.2174  270.876   66.610  294.822   91.147  243.431   97.582   16.874   2.7826   14.836   3.4531 2.038066 4.434715 
1 1 1   -4   40   28 o   24.295   1.8149  626.859   81.928  548.112  130.949  677.509  105.021   22.751   2.9651   25.840   2.0937 -3.089739 3.629813 
1 1 1   -4   41    1 o   83.113   0.9096  6683.79  137.499  6636.35  167.100  6783.27  241.967   82.669   1.0413   83.558   1.4918 -0.8886948 1.819257 
1 1 1   -4   41    2 o   19.525   3.6646  417.127   47.453  420.798   47.825  183.633  381.449   20.815   1.1836   18.236   7.2330 2.579550 7.329222 
1 1 1   -4   41    3 o   35.486   3.8971  1476.13   60.987  1483.21   61.495  1053.36  475.172   39.086   0.8105   31.887   7.7520 7.199041 7.794294 
1 1 1   -4   41    4 o  102.729   1.9809 10765.07  242.082 10901.00  256.763  9677.28  726.336  105.939   1.2486   99.519   3.7598 6.419998 3.961720 
1 1 1   -4   41    5 o   80.367   2.1923  6854.34  167.289  6943.51  173.535  5682.00  629.218   84.558   1.0572   76.177   4.2551 8.381180 4.384516 
1 1 1   -4   41    6 f   42.737   2.7971  1676.22   66.165  1671.63   66.824  1905.54  472.317   41.493   0.8296   43.981   5.5323 -2.487255 5.594163 
1 1 1   -4   41    7 o   73.505   2.2149  5365.05  136.610  5375.67  140.180  5164.55  609.158   74.404   0.9706   72.606   4.3221 1.798218 4.429729 
1 1 1   -4   41    8 o   82.366   0.8770  6606.49  134.635  6648.87  168.613  6531.93  223.639   82.741   1.0498   81.990   1.4051 0.7509537 1.753994 
1 1 1   -4   41    9 o  104.305   1.0661 10663.44  206.641 10893.22  258.854 10259.73  343.102  105.889   1.2593  102.721   1.7207 3.167862 2.132278 
1 1 1   -4   41   10 o   75.756   0.8381  5605.81  117.699  5680.97  146.691  5469.98  197.202   76.483   0.9880   75.029   1.3540 1.453514 1.676163 
1 1 1   -4   41   11 o   90.632   0.9619  8048.27  163.402  8247.21  207.225  7721.23  265.694   92.140   1.1586   89.124   1.5358 3.015785 1.923761 
1 1 1   -4   41   12 o   46.789   0.7724  2125.58   70.141  2072.62   97.966  2181.29  100.470   46.192   1.0926   47.387   1.0922 -1.195518 1.544880 
1 1 1   -4   41   13 o   65.440   0.8886  4158.98  112.775  4214.19  163.367  4108.72  155.874   65.853   1.2780   65.026   1.2349 0.8266296 1.777110 
1 1 1   -4   41   14 o   80.018   1.0384  6211.19  160.996  6453.19  236.510  6002.23  219.775   81.464   1.4956   78.571   1.4410 2.892693 2.076822 
1 1 1   -4   41   15 o   42.414   0.8094  1748.55   66.608  1685.89   94.071  1811.54   94.327   41.651   1.1635   43.177   1.1254 -1.525978 1.618749 
1 1 1   -4   41   16 o   35.903   0.9351  1267.16   64.395  1136.99   95.548  1375.49   87.165   34.190   1.4397   37.617   1.1937 -3.427898 1.870166 
1 1 1   -4   41   17 o   89.378   1.1688  7775.60  202.723  7836.68  290.691  7717.78  282.858   89.717   1.6691   89.039   1.6365 0.6778641 2.337565 
1 1 1   -4   41   18 o   28.504   1.1862  797.772   64.368  756.637   99.991  826.880   84.114   27.861   1.8489   29.147   1.4866 -1.286682 2.372424 
1 1 1   -4   41   19 o   37.774   0.8716  1382.82   63.255  1352.32   83.267  1424.44   97.270   37.289   1.1503   38.259   1.3097 -0.9698830 1.743189 
1 1 1   -4   41   20 o   39.897   0.9144  1549.58   70.524  1542.79   95.400  1557.78  104.723   39.807   1.2346   39.988   1.3491 -0.1808586 1.828767 
1 1 1   -4   41   21 o   21.418   1.3593  450.216   56.245  396.568   78.981  505.417   80.116   20.111   2.0232   22.726   1.8161 -2.615223 2.718681 
1 1 1   -4   41   22 o   6.6576   2.0796 -36.2857   54.413   16.872   80.432 -81.1436   73.887   7.7628   3.2294   5.5523   2.6209 2.210438 4.159144 
1 1 1   -4   41   23 o   20.605   1.4689  411.792   57.693  538.004   87.517  314.788   76.725   23.373   1.9289   17.837   2.2159 5.535664 2.937816 
1 1 1   -4   41   24 o   9.5491   2.1004   68.239   55.967 -67.0223   84.296  174.869   74.844   6.2308   2.8948   12.867   3.0440 -6.636616 4.200716 
1 1 1   -4   41   25 o   11.701   2.3870  140.097   60.177  210.162   88.280   79.285   82.245   13.989   3.3038   9.4136   3.4463 4.575183 4.774059 
1 1 1   -4   41   26 o   13.286   2.4698  193.646   64.451  202.343   94.162  185.979   88.405   13.550   3.5407   13.022   3.4442 0.5271864 4.939601 
1 1 1   -4   41   27 o   10.675   2.4118  101.358   68.288  217.917   94.856 -24.0474   98.389   13.960   3.5054   7.3906   3.3136 6.569046 4.823662 
1 1 1   -4   41   28 o   21.686   1.9656  492.869   80.521  512.725  130.346  480.615  102.396   21.841   3.0743   21.531   2.4499 0.3106861 3.931122 
1 1 1   -4   42    1 o   43.873   0.7389  1825.99   58.312  1758.49   69.710  1983.30  106.417   42.558   0.8438   45.188   1.2132 -2.630142 1.477786 
1 1 1   -4   42    2 o  113.759   1.9821 13311.35  286.937 13555.74  307.849 11693.64  792.041  118.128   1.3425  109.390   3.7300 8.737350 3.964202 
1 1 1   -4   42    3 o   52.622   2.5400  2598.73   79.852  2593.45   80.805  2818.65  521.480   51.684   0.8054   53.560   5.0157 -1.876606 5.079942 
1 1 1   -4   42    4 o   62.406   2.7201  4440.53  119.357  4494.44  121.869  3173.05  590.909   68.035   0.9228   56.778   5.3613 11.25635 5.440183 
1 1 1   -4   42    5 o   85.905   2.1620  7973.12  192.480  8132.38  201.505  6313.80  650.430   91.506   1.1344   80.304   4.1725 11.20258 4.323998 
1 1 1   -4   42    6 o   71.957   2.3507  5079.18  131.807  5081.38  134.699  5029.61  639.492   72.338   0.9593   71.576   4.6026 0.7615967 4.701487 
1 1 1   -4   42    7 o   82.316   2.1671  7002.45  170.917  7064.60  177.215  6174.27  646.879   85.286   1.0704   79.345   4.1999 5.941368 4.334160 
1 1 1   -4   42    8 o   47.906   3.2015  2614.56   81.853  2631.32   82.812  1903.71  539.363   52.057   0.8195   43.754   6.3504 8.303268 6.403039 
1 1 1   -4   42    9 o   27.740   0.8158  728.035   43.000  659.413   54.509  841.102   69.968   26.056   1.0777   29.424   1.2250 -3.368359 1.631569 
1 1 1   -4   42   10 o   82.894   0.8934  6666.34  137.720  6641.76  171.538  6710.91  231.007   82.692   1.0686   83.097   1.4321 -0.4049377 1.786874 
1 1 1   -4   42   11 o   53.087   0.7180  2717.33   71.310  2664.24   89.193  2811.40  118.718   52.379   0.8772   53.796   1.1368 -1.417492 1.435946 
1 1 1   -4   42   12 o   94.064   1.0054  8590.82  175.354  8567.49  217.696  8633.93  295.905   93.903   1.1943   94.225   1.6178 -0.3218460 2.010857 
1 1 1   -4   42   13 o   34.767   0.8532  1171.14   57.407  1216.74   85.197  1133.22   77.692   35.384   1.2404   34.151   1.1720 1.233799 1.706450 
1 1 1   -4   42   14 o   52.672   0.8284  2688.80   84.583  2537.96  116.131  2859.22  123.440   51.103   1.1707   54.241   1.1724 -3.137947 1.656775 
1 1 1   -4   42   15 o   26.699   1.0535  692.570   54.524  679.467   74.898  707.345   79.529   26.431   1.4598   26.966   1.5193 -0.5344772 2.106941 
1 1 1   -4   42   16 o   32.186   0.9920  1005.37   61.909  1064.33   90.076  952.586   85.231   33.078   1.4028   31.293   1.4031 1.784624 1.984066 
1 1 1   -4   42   17 f   19.171   1.6367  359.368   59.997  356.889   93.066  361.132   78.482   19.103   2.5097   19.238   2.1015 -0.1348267 3.273356 
1 1 1   -4   42   18 o   16.042   2.0879  248.243   62.294  384.184   97.192  153.460   81.155   19.807   2.5278   12.277   3.3239 7.530925 4.175828 
1 1 1   -4   42   19 o   34.143   0.9371  1134.80   61.534  1132.61   81.619  1137.69   93.662   34.113   1.2326   34.174   1.4119 -0.6153488E-01 1.874216 
1 1 1   -4   42   20 o   32.282   1.0167  1019.52   63.499  1082.31   88.253  952.123   91.434   33.323   1.3643   31.240   1.5077 2.082809 2.033390 
1 1 1   -4   42   21 o   9.9616   2.0558   74.669   52.300  189.805   75.983 -28.9946   72.098   13.563   2.9683   6.3597   2.8450 7.203744 4.111560 
1 1 1   -4   42   22 o   14.735   2.0101  222.703   55.659  204.402   84.239  236.883   74.150   14.009   3.1714   15.461   2.4706 -1.451919 4.020174 
1 1 1   -4   42   23 o   34.220   0.9564  1147.46   63.463  1196.42   89.136  1097.14   90.378   34.970   1.3131   33.471   1.3910 1.498562 1.912884 
1 1 1   -4   42   24 o   7.8313   2.1608 -10.1594   55.818  109.207   84.366 -103.0890   74.440   10.435   3.5162   5.2279   2.5125 5.206892 4.321621 
1 1 1   -4   42   25 f   17.021   1.9417  304.798   61.251  250.542   89.860  351.885   83.712   15.332   3.1252   18.709   2.3050 -3.376504 3.883317 
1 1 1   -4   42   26 o   11.069   2.5928  129.232   65.216  107.387   89.815  153.595   94.851   10.303   3.6222   11.835   3.7107 -1.531550 5.185524 
1 1 1   -4   42   27 o   24.248   1.5106  596.585   71.091  591.469  101.103  601.588   99.983   24.135   2.1580   24.362   2.1142 -0.2272186 3.021102 
1 1 1   -4   42   28 o   20.384   2.0482  440.046   77.651  460.156  130.360  428.987   96.673   20.475   3.2799   20.293   2.4541 0.1818523 4.096389 
1 1 1   -4   43    1 o   37.250   3.4459  1332.65   61.044  1330.94   61.545  1436.36  479.135   37.024   0.8563   37.475   6.8384 -0.4516945 6.891764 
1 1 1   -4   43    2 o   23.363   5.5964  512.802  302.797  558.357  426.452  466.484  430.009   24.026   7.9004   22.700   7.9287 1.326361 11.19289 
1 1 1   -4   43    3 o   63.757   2.5199  4463.15  119.614  4508.90  122.329  3466.40  570.962   68.143   0.9248   59.371   4.9541 8.771664 5.039720 
1 1 1   -4   43    4 o   41.022   3.8796  1858.10   70.053  1863.70   70.622  1514.77  552.815   43.811   0.8304   38.233   7.7146 5.577869 7.759143 
1 1 1   -4   43    5 o   43.024   2.4389  1379.78   60.001  1362.97   60.533  2322.26  453.268   37.466   0.8323   48.582   4.8063 -11.11614 4.877872 
1 1 1   -4   43    6 o  114.520   2.1188 13959.29  305.787 14369.74  328.635 11311.60  834.678  121.605   1.3922  107.434   4.0023 14.17104 4.237545 
1 1 1   -4   43    7 o   77.562   2.4700  6527.23  163.634  6609.08  168.580  5193.65  680.511   82.491   1.0528   72.633   4.8265 9.857635 4.940023 
1 1 1   -4   43    8 o   21.546   0.9848  447.751   40.838  426.894   53.814  476.068   62.706   20.961   1.3226   22.132   1.4595 -1.171679 1.969655 
1 1 1   -4   43    9 o   90.269   0.9524  7923.63  159.641  7936.55  198.744  7900.13  268.016   90.389   1.1327   90.150   1.5315 0.2390366 1.904895 
1 1 1   -4   43   10 o   79.059   0.8830  6067.32  128.967  6054.38  159.450  6091.79  219.313   78.950   1.0404   79.168   1.4271 -0.2172546 1.766081 
1 1 1   -4   43   11 o  122.099   1.2490 14574.54  287.375 14809.47  366.540 14199.75  462.960  123.417   1.5300  120.780   1.9746 2.636986 2.497980 
1 1 1   -4   43   12 o   52.537   0.7337  2695.43   72.732  2743.35   92.993  2619.93  116.723   53.147   0.9014   51.927   1.1580 1.220314 1.467436 
1 1 1   -4   43   13 o   49.329   0.8298  2364.65   79.459  2381.17  112.932  2348.46  111.819   49.499   1.1753   49.158   1.1718 0.3409729 1.659660 
1 1 1   -4   43   14 o  126.261   1.5617 15533.70  382.629 15948.50  549.682 15143.77  532.945  127.894   2.2141  124.629   2.2029 3.265533 3.123311 
1 1 1   -4   43   15 o   59.926   0.8995  3488.27  104.565  3400.63  144.577  3584.40  151.416   59.139   1.2594   60.714   1.2848 -1.574741 1.799069 
1 1 1   -4   43   16 o   44.134   0.8780  1893.43   75.188  1908.55  108.105  1879.28  104.643   44.304   1.2570   43.965   1.2261 0.3391151 1.755991 
1 1 1   -4   43   17 o   33.305   1.0534  1085.33   67.467  1034.69  101.261  1125.77   90.474   32.596   1.6004   34.015   1.3702 -1.419575 2.106800 
1 1 1   -4   43   18 o   10.302   2.5450   88.419   62.208  125.642   98.251   63.512   80.369   11.486   3.7929   9.1173   3.3944 2.368508 5.089944 
1 1 1   -4   43   19 o   10.342   2.3385   92.943   62.643 -25.7491   98.048  174.808   81.429   7.6582   3.3777   13.026   3.2350 -5.367700 4.676979 
1 1 1   -4   43   20 o   13.984   2.0709  199.922   55.528  254.784   78.702  145.541   78.356   16.072   2.5227   11.897   3.2849 4.174965 4.141755 
1 1 1   -4   43   21 o   13.266   2.1949  181.418   55.613  211.670   81.579  155.153   76.013   14.307   3.0316   12.225   3.1748 2.082117 4.389785 
1 1 1   -4   43   22 o   10.040   2.4290   95.661   57.164   83.488   82.732  106.783   79.078   9.6846   3.4688   10.396   3.4013 -0.7116728 4.858085 
1 1 1   -4   43   23 o   4.8734   2.4096 -182.8335   83.858 -182.8335   83.858   0.0000   0.0000   4.8734   2.4096  ?   ?       ?      ? 
1 1 1   -4   43   24 o   9.0384   2.4386   62.392   59.962   87.822   87.393   39.772   82.422   9.7911   3.5574   8.2856   3.3365 1.505501 4.877178 
1 1 1   -4   43   25 o   17.277   1.9458  320.600   61.182  239.269   90.610  388.755   82.947   14.885   3.2289   19.669   2.1725 -4.784076 3.891698 
1 1 1   -4   43   26 o   12.403   2.5112  171.175   63.729  155.316   89.671  187.360   90.588   11.845   3.5894   12.961   3.5128 -1.115975 5.022311 
1 1 1   -4   43   27 o   12.373   2.8265  167.746   75.175  222.223  125.384  137.174   93.929   13.633   4.2650   11.112   3.7103 2.521175 5.653018 
1 1 1   -4   44    1 o   69.868   2.5728  5038.98  131.727  5061.29  134.408  4496.17  662.828   72.193   0.9591   67.544   5.0553 4.648766 5.145513 
1 1 1   -4   44    2 o   70.018   2.4723  4877.38  128.395  4884.46  130.968  4702.47  650.991   70.921   0.9513   69.115   4.8522 1.805183 4.944545 
1 1 1   -4   44    3 o   73.233   2.3735  5654.80  145.048  5703.06  149.065  4795.44  629.013   76.631   1.0021   69.835   4.6400 6.795532 4.746989 
1 1 1   -4   44    4 o  103.906   2.2597 11541.52  261.615 11787.55  275.998  9363.91  821.114  110.147   1.2908   97.666   4.3311 12.48167 4.519352 
1 1 1   -4   44    5 o   32.001   4.4698  1441.26   64.045  1453.31   64.497  590.157  542.019   38.687   0.8588   25.316   8.8983 13.37060 8.939689 
1 1 1   -4   44    6 o   26.292   4.0688  728.178   56.980  729.793   57.450  630.825  446.094   27.411   1.0797   25.174   8.0657 2.237097 8.137619 
1 1 1   -4   44    7 o  134.429   2.1799 18874.20  394.795 19400.89  429.084 15968.34  1007.86  141.270   1.5647  127.588   4.0694 13.68263 4.359820 
1 1 1   -4   44    8 o   46.415   2.9125  2022.80   72.678  2019.12   73.375  2213.36  528.618   45.600   0.8289   47.230   5.7658 -1.630024 5.825081 
1 1 1   -4   44    9 o   62.500   0.7680  3796.33   89.280  3800.89  111.379  3788.14  149.328   62.560   0.9172   62.440   1.2320 0.1199074 1.535906 
1 1 1   -4   44   10 o   32.928   0.7970  1049.06   49.875  1032.63   64.053  1074.36   79.486   32.605   1.0120   33.252   1.2314 -0.6461792 1.593929 
1 1 1   -4   44   11 o   30.678   0.9584  910.168   56.915  1008.62   83.736  825.625   77.594   32.213   1.3391   29.144   1.3716 3.069450 1.916878 
1 1 1   -4   44   12 o   38.246   0.7490  1436.62   53.721  1484.51   68.350  1359.22   86.891   39.094   0.9007   37.397   1.1969 1.696857 1.497946 
1 1 1   -4   44   13 o  109.417   1.3672 11659.47  290.384 11758.59  412.676 11562.26  408.683  109.878   1.9348  108.957   1.9323 0.9206696 2.734421 
1 1 1   -4   44   14 o   13.246   1.9851  185.801   52.199   75.501   75.827  285.154   71.966   9.3954   3.3256   17.096   2.1686 -7.700498 3.970161 
1 1 1   -4   44   15 o   39.925   0.8707  1550.24   67.456  1586.63   95.021  1513.27   95.778   40.398   1.2117   39.451   1.2507 0.9470253 1.741360 
1 1 1   -4   44   16 o   36.601   0.9611  1303.63   68.254  1289.15   97.690  1317.44   95.402   36.401   1.3825   36.801   1.3355 -0.4002075 1.922205 
1 1 1   -4   44   17 o   50.355   0.9136  2464.80   89.058  2499.07  131.338  2435.63  121.171   50.675   1.3352   50.036   1.2475 0.6388550 1.827293 
1 1 1   -4   44   18 o   17.121   1.9478  280.612   62.122  352.869  101.806  237.745   78.413   18.925   2.7713   15.317   2.7378 3.607905 3.895541 
1 1 1   -4   44   19 o   37.564   1.0146  1365.76   72.722  1431.59  115.031  1321.92   93.858   38.298   1.5473   36.831   1.3128 1.467377 2.029172 
1 1 1   -4   44   20 o   33.913   0.9739  1121.18   64.076  1086.18   88.748  1159.29   92.609   33.361   1.3704   34.464   1.3843 -1.102489 1.947886 
1 1 1   -4   44   21 o   20.702   1.4132  420.549   56.703  452.942   82.571  391.641   78.003   21.456   1.9825   19.947   2.0145 1.509079 2.826387 
1 1 1   -4   44   22 o   18.601   1.6192  344.676   58.346  325.090   83.337  363.508   81.716   18.064   2.3765   19.137   2.1997 -1.072908 3.238301 
1 1 1   -4   44   23 o   13.473   2.1471  186.313   58.008  286.020   85.813  102.415   78.716   16.823   2.6277   10.123   3.3965 6.700014 4.294296 
1 1 1   -4   44   24 o   24.340   1.3533  588.452   63.913  611.917   91.828  566.405   89.011   24.812   1.9065   23.867   1.9212 0.9448891 2.706629 
1 1 1   -4   44   25 o   10.276   2.5543  104.646   64.455   71.952   92.754  135.175   89.632   9.3390   3.6067   11.212   3.6178 -1.873404 5.108553 
1 1 1   -4   44   26 o   13.266   2.3914  192.213   64.736  284.148   95.356  113.619   88.167   16.136   3.1574   10.397   3.5925 5.739198 4.782802 
1 1 1   -4   44   27 o   13.323   2.8200  217.511   80.715  160.207  129.026  254.355  103.459   11.834   4.3189   14.811   3.6273 -2.977361 5.640066 
1 1 1   -4   45    1 o   33.952   4.3546  2162.12   77.497  2197.82   78.146   38.818  602.629   47.575   0.8462   20.329   8.6679 27.24677 8.709147 
1 1 1   -4   45    2 o  106.504   2.1889 11085.48  250.014 11087.64  261.184 11061.83  864.176  106.829   1.2595  106.178   4.1928 0.6504517 4.377860 
1 1 1   -4   45    3 o   60.036   2.9700  3767.58  106.022  3780.09  107.427  3298.84  657.621   62.392   0.8870   57.680   5.8734 4.711796 5.939956 
1 1 1   -4   45    4 f   26.444   4.5803  693.691   54.195  694.164   54.445  642.474  566.223   26.734   1.0491   26.154   9.1003 0.5796776 9.160604 
1 1 1   -4   45    5 o   54.874   3.5000  3507.44  104.097  3534.06  105.392  2444.49  665.970   60.326   0.9000   49.421   6.9419 10.90495 6.999969 
1 1 1   -4   45    6 o   37.567   4.1037  1738.33   67.686  1749.06   68.274  1124.10  516.666   42.441   0.8287   32.693   8.1655 9.748295 8.207425 
1 1 1   -4   45    7 o   29.745   4.1819  639.811   54.992  633.809   55.278  1215.72  541.507   25.543   1.1148   33.948   8.2892 -8.404531 8.363828 
1 1 1   -4   45    8 o   16.905   4.4073  174.549   54.813  175.137   55.067  111.182  571.644   13.411   2.1152   20.398   8.5571 -6.986590 8.814632 
1 1 1   -4   45    9 o   13.870   1.6614  192.365   42.778  200.276   55.938  181.220   66.391   14.343   2.0091   13.397   2.6467 0.9451857 3.322889 
1 1 1   -4   45   10 o  131.660   1.3605 16936.33  335.636 17112.04  423.849 16640.87  549.609  132.632   1.6463  130.687   2.1665 1.945160 2.720993 
1 1 1   -4   45   11 o  139.417   1.4891 18928.42  380.324 18899.07  466.198 18986.83  657.618  139.350   1.7235  139.484   2.4288 -0.1344757 2.978113 
1 1 1   -4   45   12 o   8.2220   2.1228   52.939   44.719   69.828   59.147   30.401   68.327   8.7432   2.9441   7.7008   3.0591 1.042467 4.245676 
1 1 1   -4   45   13 o   40.862   0.7474  1634.15   56.819  1664.23   71.218  1581.45   94.245   41.391   0.8864   40.334   1.2037 1.057156 1.494869 
1 1 1   -4   45   14 o   47.501   0.8580  2191.67   79.074  2100.00  110.119  2289.26  113.619   46.476   1.2206   48.526   1.2062 -2.050106 1.715998 
1 1 1   -4   45   15 o   59.866   0.9010  3485.66  104.702  3531.99  147.957  3439.17  148.185   60.265   1.2648   59.466   1.2837 0.7989120 1.802092 
1 1 1   -4   45   16 f   33.191   1.0329  1076.60   66.258  973.294   94.533  1176.35   92.895   31.614   1.5404   34.767   1.3764 -3.153437 2.065788 
1 1 1   -4   45   17 o   62.297   0.9447  3778.61  114.099  3785.30  165.587  3772.55  157.443   62.344   1.3682   62.249   1.3029 0.9531403E-01 1.889382 
1 1 1   -4   45   18 o   19.877   1.6323  389.189   60.702  383.178   99.735  392.726   76.504   19.723   2.6050   20.030   1.9675 -0.3073769 3.264544 
1 1 1   -4   45   19 o   30.638   1.1594  931.086   66.214  867.022  108.070  969.589   83.781   29.748   1.8714   31.527   1.3690 -1.778772 2.318704 
1 1 1   -4   45   20 o   13.923   2.0895  201.712   56.181  272.738   78.930  128.775   79.985   16.603   2.4490   11.242   3.3863 5.361362 4.179051 
1 1 1   -4   45   21 o   44.636   0.8640  1949.81   74.693  2059.50  104.359  1834.59  106.954   45.937   1.1703   43.335   1.2714 2.602291 1.728059 
1 1 1   -4   45   22 o   18.529   1.6495  345.757   58.015  435.067   83.156  261.066   80.977   20.941   2.0456   16.117   2.5883 4.824057 3.299055 
1 1 1   -4   45   23 o   7.9276   2.2000   20.311   56.633 -75.0605   86.703   91.280   74.793   6.1988   2.8985   9.6565   3.3104 -3.457770 4.399997 
1 1 1   -4   45   24 o   24.255   1.3067  587.019   61.342  556.181   88.582  615.434   85.029   23.614   1.9325   24.897   1.7594 -1.283457 2.613398 
1 1 1   -4   45   25 o   7.9116   2.3238   5.4681   63.702 -69.8027   90.218   80.308   89.960   6.3557   2.9668   9.4675   3.5775 -3.111838 4.647608 
1 1 1   -4   45   26 o   7.5956   2.4161 -22.9705   72.704 -11.0591  116.840 -30.4967   92.875   8.1745   3.6418   7.0166   3.1760 1.157879 4.832148 
1 1 1   -4   46    1 o   76.284   2.4935  6041.52  155.408  6079.53  159.440  5318.39  695.485   79.116   1.0382   73.453   4.8777 5.663193 4.986959 
1 1 1   -4   46    2 o   58.904   3.3449  4201.13  117.547  4250.83  119.432  2664.07  664.192   66.160   0.9300   51.648   6.6248 14.51170 6.689756 
1 1 1   -4   46    3 o   57.972   3.1318  3408.06  102.325  3412.95  103.497  3195.97  681.784   59.283   0.8994   56.661   6.1986 2.621830 6.263541 
1 1 1   -4   46    4 o   25.058   4.4036  745.662   56.870  750.109   57.175  332.855  550.879   27.789   1.0599   22.327   8.7431 5.461988 8.807156 
1 1 1   -4   46    5 o   44.770   4.8966  2782.41   90.096  2806.48   90.860  1369.52  696.111   53.759   0.8707   35.782   9.7543 17.97706 9.793106 
1 1 1   -4   46    6 o  107.369   2.3861 12012.26  276.899 12173.53  290.543 10415.19  914.304  111.921   1.3373  102.817   4.5810 9.104439 4.772231 
1 1 1   -4   46    7 f   82.643   2.5072  7362.38  183.562  7454.91  189.530  5962.38  737.265   87.600   1.1146   77.686   4.8889 9.913483 5.014389 
1 1 1   -4   46    8 o   43.559   5.5542  1977.21   73.060  1977.44   73.293  1942.65  915.969   45.125   0.8367   41.994   11.077 3.130527 11.10842 
1 1 1   -4   46    9 o   70.152   0.8232  4773.02  106.966  4751.78  132.585  4812.63  181.034   69.941   0.9766   70.364   1.3254 -0.4222641 1.646312 
1 1 1   -4   46   10 o  102.901   1.1243 10246.20  211.193 10140.51  257.395 10463.93  369.447  102.134   1.2983  103.669   1.8359 -1.534508 2.248530 
1 1 1   -4   46   11 o   47.339   0.7400  2195.78   65.666  2251.45   83.298  2104.40  106.730   48.145   0.8913   46.533   1.1816 1.611778 1.480022 
1 1 1   -4   46   12 o   39.425   0.7669  1520.67   57.580  1566.40   75.156  1455.69   89.593   40.153   0.9642   38.697   1.1927 1.455322 1.533724 
1 1 1   -4   46   13 f   14.440   1.7822  204.470   47.988  193.649   61.725  221.003   76.297   14.085   2.2576   14.794   2.7583 -0.7089033 3.564344 
1 1 1   -4   46   14 o   38.551   0.9271  1445.46   69.376  1438.41   97.962  1452.56   98.264   38.457   1.3123   38.646   1.3099 -0.1888657 1.854135 
1 1 1   -4   46   15 o   53.117   0.8840  2742.50   91.117  2811.48  130.976  2677.82  126.841   53.763   1.2550   52.471   1.2453 1.292725 1.767998 
1 1 1   -4   46   16 o   45.492   0.8993  2015.23   79.354  1982.29  113.903  2046.29  110.615   45.128   1.3002   45.856   1.2427 -0.7283249 1.798564 
1 1 1   -4   46   17 f   36.989   0.9642  1334.87   69.131  1288.77   99.298  1378.23   96.304   36.364   1.4067   37.614   1.3190 -1.250435 1.928335 
1 1 1   -4   46   18 o   21.041   1.6074  457.620   61.964  349.768   97.989  529.487   79.988   18.815   2.6829   23.266   1.7711 -4.450520 3.214734 
1 1 1   -4   46   19 o   9.6914   2.4370   80.412   60.933   15.275   98.298  121.060   77.652   8.4378   3.5445   10.945   3.3454 -2.507195 4.873934 
1 1 1   -4   46   20 o   8.9668   2.3052   61.439   55.069   10.643   80.502  106.114   75.497   7.5965   3.2002   10.337   3.3188 -2.740542 4.610400 
1 1 1   -4   46   21 o   27.125   1.1803  723.898   62.111  729.398   86.535  718.055   89.202   27.238   1.6366   27.012   1.7012 0.2264767 2.360638 
1 1 1   -4   46   22 f   21.324   1.4336  451.460   58.991  460.121   88.699  444.591   78.995   21.481   2.1272   21.167   1.9225 0.3138714 2.867227 
1 1 1   -4   46   23 o   26.509   1.1897  695.964   61.095  673.423   88.339  716.631   84.586   26.078   1.7451   26.939   1.6175 -0.8612556 2.379405 
1 1 1   -4   46   24 o   18.093   1.7965  336.764   62.408  314.972   93.351  354.374   83.917   17.481   2.7509   18.704   2.3113 -1.222229 3.592997 
1 1 1   -4   46   25 o   33.399   1.1073  1107.41   71.771  1081.50  100.083  1134.84  102.978   32.998   1.5624   33.799   1.5695 -0.8005142 2.214648 
1 1 1   -4   46   26 o   17.033   2.4531  326.682   77.846  320.557  124.271  330.638   99.868   16.470   3.9398   17.597   2.9237 -1.126068 4.906142 
1 1 1   -4   47    1 o  102.302   2.3319 10882.85  254.055 11019.48  266.111  9476.54  853.744  106.490   1.2873   98.114   4.4826 8.375603 4.663797 
1 1 1   -4   47    2 o   31.350   4.7854  1281.92   66.855  1289.57   67.240  618.319  625.914   36.439   0.9506   26.261   9.5234 10.17753 9.570763 
1 1 1   -4   47    3 o  169.653   2.0989 28711.08  549.464 29115.44  615.510 27124.39  1219.26  172.989   1.8330  166.317   3.7765 6.671539 4.197850 
1 1 1   -4   47    4 o   45.931   4.4569  2726.01   89.631  2747.91   90.491  1590.20  651.696   53.194   0.8764   38.668   8.8707 14.52559 8.913839 
1 1 1   -4   47    5 o   71.908   2.9916  5622.04  150.112  5664.94  153.036  4531.28  771.635   76.367   1.0323   67.449   5.8935 8.918373 5.983242 
1 1 1   -4   47    6 o   34.105   4.9199  1373.58   65.308  1377.62   65.632  967.995  658.237   37.663   0.8977   30.547   9.7987 7.116028 9.839713 
1 1 1   -4   47    7 o   37.074   5.1938  875.503   61.746  869.131   61.901  2137.92  871.272   29.910   1.0661   44.238   10.333 -14.32795 10.38762 
1 1 1   -4   47    8 o   83.269   3.2172  6919.95  180.529  6924.46  183.484  6783.51  1010.06   84.417   1.1197   82.121   6.3362 2.295715 6.434341 
1 1 1   -4   47    9 o   21.907   1.1580  470.522   47.690  481.867   60.735  452.281   77.013   22.261   1.4055   21.553   1.8408 0.7084255 2.316008 
1 1 1   -4   47   10 o   16.627   1.5257  276.459   47.347  299.266   60.782  241.264   75.506   17.533   1.7859   15.721   2.4742 1.812189 3.051409 
1 1 1   -4   47   11 o   12.957   1.9491  161.353   46.908  121.648   59.589  226.047   76.063   10.941   2.7955   14.973   2.7170 -4.032795 3.898276 
1 1 1   -4   47   12 o   86.342   0.9838  7267.81  156.554  7304.49  193.427  7198.16  266.568   86.688   1.1495   85.996   1.5969 0.6919785 1.967536 
1 1 1   -4   47   13 o   50.818   0.7763  2503.69   72.873  2489.17   90.014  2531.30  124.140   50.616   0.9161   51.020   1.2534 -0.4041328 1.552538 
1 1 1   -4   47   14 o   13.847   1.8508  191.069   47.420  175.910   61.860  212.672   73.846   13.193   2.5070   14.501   2.7235 -1.307297 3.701685 
1 1 1   -4   47   15 o   38.267   0.9462  1425.32   70.279  1459.09   99.865  1392.19   98.920   38.717   1.3287   37.818   1.3475 0.8995781 1.892429 
1 1 1   -4   47   16 o   52.435   0.8903  2676.90   90.613  2660.98  127.092  2693.35  129.226   52.277   1.2524   52.592   1.2658 -0.3151894 1.780648 
1 1 1   -4   47   17 o   26.568   1.2057  689.443   62.040  695.092   91.042  684.547   84.770   26.664   1.7589   26.473   1.6496 0.1914864 2.411452 
1 1 1   -4   47   18 o   31.462   1.1085  983.143   65.720  896.527  103.768  1041.15   84.922   30.257   1.7668   32.668   1.3392 -2.411266 2.216934 
1 1 1   -4   47   19 o   13.908   2.3338  188.655   59.483  251.371  103.927  158.102   72.539   15.482   3.5356   12.334   3.0474 3.148055 4.667686 
1 1 1   -4   47   20 o   49.243   0.8611  2370.26   81.673  2381.61  109.081  2355.78  123.213   49.398   1.1376   49.089   1.2930 0.3085365 1.722194 
1 1 1   -4   47   21 f   10.094   2.3432   96.090   57.795   28.905   84.725  154.564   79.041   8.1248   3.3411   12.062   3.2863 -3.937609 4.686413 
1 1 1   -4   47   22 o   15.247   2.0233  237.995   58.439  280.471   87.616  203.954   78.436   16.621   2.7156   13.873   3.0000 2.748093 4.046507 
1 1 1   -4   47   23 o   7.4478   2.2119  -1.6683   59.168 -83.8657   89.826   61.328   78.637   6.1830   2.9098   8.7127   3.3321 -2.529732 4.423785 
1 1 1   -4   47   24 o   25.308   1.3691  643.164   67.033  630.513   98.329  654.149   91.623   25.038   2.0231   25.578   1.8453 -0.5402794 2.738297 
1 1 1   -4   47   25 f   12.085   2.5555  165.558   64.564  164.792   93.110  166.268   89.605   12.052   3.6588   12.119   3.5686 -0.6691170E-01 5.110952 
1 1 1   -4   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   48    1 o   78.823   2.8283  6567.54  169.822  6611.51  173.683  5611.40  809.858   82.497   1.0846   75.148   5.5517 7.348114 5.656616 
1 1 1   -4   48    2 o   35.182   4.8901  1680.13   71.937  1690.95   72.385  814.901  647.322   41.727   0.8937   28.637   9.7393 13.08998 9.780211 
1 1 1   -4   48    3 o   25.857   4.2948  956.529   60.464  966.258   60.800   84.073  575.768   31.540   0.9931   20.174   8.5320 11.36550 8.589613 
1 1 1   -4   48    4 o   37.885   4.6858  1997.03   77.853  2014.69   78.512  958.006  602.207   45.546   0.8880   30.224   9.3294 15.32194 9.371522 
1 1 1   -4   48    5 o   53.896   4.3949  3840.70  112.884  3883.20  114.262  2110.42  729.070   63.229   0.9309   44.564   8.7403 18.66578 8.789722 
1 1 1   -4   48    6 o   29.234   5.1061  666.382   59.896  663.123   60.111  1119.31  708.709   26.122   1.1855   32.347   10.143 -6.225145 10.21229 
1 1 1   -4   48    7 o   17.857   6.0525 -43.1581   51.740 -45.4747   51.809  832.481  1007.25   4.9051   2.2756   30.808   11.889 -25.90340 12.10491 
1 1 1   -4   48    8 o   38.990   0.9041  1476.59   68.428  1476.59   68.428   0.0000   0.0000   38.990   0.9041  ?   ?       ?      ? 
1 1 1   -4   48    9 o   28.303   0.8825  788.899   47.253  829.347   61.290  729.619   74.198   29.215   1.0807   27.391   1.3955 1.823339 1.765025 
1 1 1   -4   48   10 o   33.985   0.8300  1107.28   52.183  1073.42   64.203  1173.19   89.575   33.237   0.9951   34.732   1.3286 -1.495144 1.659913 
1 1 1   -4   48   11 o   69.440   0.8474  4722.26  108.652  4802.74  134.926  4573.80  183.253   70.306   0.9886   68.574   1.3767 1.731224 1.694871 
1 1 1   -4   48   12 o   36.564   0.8628  1307.75   59.311  1332.36   75.427  1267.89   96.005   37.026   1.0494   36.102   1.3699 0.9237900 1.725699 
1 1 1   -4   48   13 o   64.105   0.8264  3956.16   98.157  3866.38  121.182  4127.43  167.380   63.074   0.9897   65.136   1.3238 -2.061165 1.652877 
1 1 1   -4   48   14 o   46.493   0.8000  2087.19   69.583  2047.06   87.033  2158.27  115.844   45.890   0.9770   47.096   1.2671 -1.205971 1.600046 
1 1 1   -4   48   15 o   83.028   1.1026  6718.16  177.647  6937.53  255.147  6511.76  247.489   84.343   1.5584   81.713   1.5603 2.629585 2.205228 
1 1 1   -4   48   16 o   31.173   1.0412  948.058   62.934  942.651   91.009  953.014   87.123   31.084   1.5083   31.262   1.4357 -0.1779499 2.082310 
1 1 1   -4   48   17 o   22.244   1.3989  489.460   59.760  450.965   89.071  520.976   80.592   21.421   2.1420   23.066   1.7999 -1.644861 2.797834 
1 1 1   -4   48   18 o   48.471   0.9446  2298.94   88.594  2208.27  128.929  2380.04  121.945   47.550   1.3968   49.391   1.2719 -1.840965 1.889104 
1 1 1   -4   48   19 o   33.444   1.1569  1104.43   72.402  1067.68  118.341  1126.41   91.530   32.948   1.8503   33.939   1.3893 -0.9914589 2.313820 
1 1 1   -4   48   20 f   10.138   2.4116  100.651   55.809  105.127   84.259   97.153   74.493   10.356   3.5138   9.9207   3.3039 0.4350386 4.823128 
1 1 1   -4   48   21 o   46.887   0.8682  2155.19   78.960  2221.45  110.834  2086.91  112.516   47.630   1.1988   46.145   1.2561 1.484730 1.736320 
1 1 1   -4   48   22 o   27.252   1.2393  736.822   65.342  810.505   92.945  664.818   91.880   28.626   1.6726   25.878   1.8290 2.747412 2.478522 
1 1 1   -4   48   23 o   17.447   1.8236  311.480   61.677  333.536   88.334  290.500   86.155   18.070   2.5183   16.823   2.6382 1.246855 3.647176 
1 1 1   -4   48   24 o   24.815   1.3865  620.962   66.513  603.513   97.701  636.035   90.805   24.444   2.0590   25.186   1.8573 -0.7417278 2.772901 
1 1 1   -4   48   25 o   20.476   2.0180  433.090   78.524  508.672  127.776  387.223   99.539   21.762   3.0248   19.191   2.6720 2.570467 4.035915 
1 1 1   -4   49    1 o   24.411   4.6486  707.628   60.746  712.494   60.992  109.221  676.357   27.078   1.1604   21.744   9.2244 5.333839 9.297104 
1 1 1   -4   49    2 o   45.670   4.7600  2370.26   83.636  2376.13   84.157  1901.08  752.678   49.462   0.8765   41.879   9.4795 7.582748 9.519959 
1 1 1   -4   49    3 o   25.104   4.9698  567.279   59.981  567.216   60.213  575.428  683.365   24.156   1.2841   26.052   9.8563 -1.896126 9.939606 
1 1 1   -4   49    4 o   20.910   4.9322  174.441   54.115  169.570   54.313  836.563  633.285   13.190   2.1212   28.629   9.6336 -15.43874 9.864406 
1 1 1   -4   49    5 o   24.519   4.6329  767.263   60.844  773.419   61.057 -112.2184  729.761   28.212   1.1149   20.826   9.1985 7.386469 9.265831 
1 1 1   -4   49    6 o   24.387   4.4555  847.585   62.763  856.632   62.968 -538.7865  779.475   29.692   1.0925   19.082   8.8437 10.60983 8.910956 
1 1 1   -4   49    7 o   46.042   0.9095  2059.19   81.287  2059.19   81.287   0.0000   0.0000   46.042   0.9095  ?   ?       ?      ? 
1 1 1   -4   49    8 o   83.448   1.1189  6768.00  181.250  6768.00  181.250   0.0000   0.0000   83.448   1.1189  ?   ?       ?      ? 
1 1 1   -4   49    9 o   59.812   0.9495  3475.81  110.240  3475.81  110.240   0.0000   0.0000   59.812   0.9495  ?   ?       ?      ? 
1 1 1   -4   49   10 o   13.616   1.9310  191.663   48.472  212.822   61.946  158.248   77.846   14.769   2.1607   12.463   3.2010 2.306187 3.861954 
1 1 1   -4   49   11 o   34.460   0.8512  1148.02   55.898  1121.28   72.073  1188.38   88.551   33.964   1.0932   34.955   1.3050 -0.9906693 1.702391 
1 1 1   -4   49   12 o   43.478   0.7771  1824.88   63.270  1790.13   79.256  1885.92  105.055   42.920   0.9513   44.036   1.2290 -1.115631 1.554129 
1 1 1   -4   49   13 o   39.431   0.8390  1499.43   62.381  1459.58   78.825  1566.22  102.044   38.746   1.0480   40.117   1.3104 -1.371101 1.677941 
1 1 1   -4   49   14 o   35.770   0.8423  1233.45   56.976  1194.89   72.267  1296.78   92.622   35.049   1.0622   36.492   1.3075 -1.443371 1.684599 
1 1 1   -4   49   15 o   33.811   0.9971  1109.51   65.299  1198.54   96.201  1033.45   88.921   35.063   1.4134   32.559   1.4069 2.503662 1.994260 
1 1 1   -4   49   16 o   45.903   0.8863  2051.10   78.918  2114.49  114.351  1993.44  109.051   46.578   1.2647   45.228   1.2421 1.349552 1.772670 
1 1 1   -4   49   17 o   35.210   0.9953  1211.61   67.897  1195.52   98.803  1226.01   93.460   34.981   1.4550   35.439   1.3585 -0.4580460 1.990659 
1 1 1   -4   49   18 o   28.365   1.2354  815.016   65.449  675.089  102.133  912.515   85.253   26.183   2.0095   30.548   1.4377 -4.365517 2.470838 
1 1 1   -4   49   19 o   47.725   0.9942  2223.23   90.821  2278.99  141.459  2184.12  118.459   48.198   1.5120   47.252   1.2915 0.9456367 1.988439 
1 1 1   -4   49   20 o   20.648   1.4687  425.135   58.566  413.503   86.608  434.936   79.497   20.358   2.1915   20.937   1.9560 -0.5788364 2.937473 
1 1 1   -4   49   21 o   38.410   0.9198  1447.33   68.583  1455.06   96.845  1439.55   97.138   38.515   1.2953   38.306   1.3064 0.2092361 1.839690 
1 1 1   -4   49   22 f   7.6597   2.3148   5.0684   62.219 -29.5276   88.644   38.664   87.353   6.9664   3.1326   8.3530   3.4087 -1.386602 4.629554 
1 1 1   -4   49   23 o   19.476   1.6437  389.961   61.198  356.734   92.299  416.029   81.752   18.636   2.5515   20.316   2.0730 -1.680470 3.287417 
1 1 1   -4   49   24 o   32.704   1.1022  1069.36   69.473  1018.22  103.032  1111.99   94.077   31.927   1.6624   33.480   1.4475 -1.552734 2.204336 
1 1 1   -4   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   50    1 o   58.597   4.2821  3810.46  114.164  3822.55  115.094  3071.28  899.887   62.731   0.9452   54.462   8.5119 8.268387 8.564216 
1 1 1   -4   50    2 o   21.368   4.5474  511.823   61.692  517.726   61.892 -396.3391  767.681   23.075   1.3817   19.661   8.9892 3.414534 9.094735 
1 1 1   -4   50    3 o   45.113   5.0048  2071.18   82.468  2070.65   82.876  2124.22  832.437   46.171   0.9247   44.056   9.9668 2.114376 10.00956 
1 1 1   -4   50    4 o   35.585   6.2605  1504.37   70.714  1506.92   70.854  860.424  1126.76   39.387   0.9267   31.784   12.487 7.603390 12.52107 
1 1 1   -4   50    5 o   62.562   5.6259  4777.01  136.278  4796.96  137.240  3368.69  1153.06   70.266   1.0062   54.858   11.207 15.40857 11.25180 
1 1 1   -4   50    6 o   42.354   0.9388  1742.77   77.185  1742.77   77.185   0.0000   0.0000   42.354   0.9388  ?   ?       ?      ? 
1 1 1   -4   50    7 o   64.703   0.9500  4067.46  119.321  4067.46  119.321   0.0000   0.0000   64.703   0.9500  ?   ?       ?      ? 
1 1 1   -4   50    8 o   22.897   1.3205  509.839   58.694  509.839   58.694   0.0000   0.0000   22.897   1.3205  ?   ?       ?      ? 
1 1 1   -4   50    9 o   80.855   1.0886  6353.94  170.859  6353.94  170.859   0.0000   0.0000   80.855   1.0886  ?   ?       ?      ? 
1 1 1   -4   50   10 o   37.825   0.8279  1369.20   58.555  1313.50   72.858  1470.81   98.403   36.763   1.0209   38.886   1.3036 -2.123169 1.655802 
1 1 1   -4   50   11 o   77.370   0.9178  5780.49  129.989  5696.46  158.699  5951.78  226.595   76.550   1.0680   78.189   1.4929 -1.638763 1.835596 
1 1 1   -4   50   12 o   14.213   1.9448  207.910   51.070  228.939   66.056  176.663   80.519   15.298   2.2244   13.128   3.1908 2.170180 3.889634 
1 1 1   -4   50   13 o   30.661   0.9217  927.855   53.687  985.526   70.437  847.903   82.935   31.825   1.1401   29.497   1.4484 2.328323 1.843334 
1 1 1   -4   50   14 o   21.609   1.2590  458.603   51.897  469.198   67.856  443.672   80.554   21.926   1.5943   21.292   1.9490 0.6339302 2.518006 
1 1 1   -4   50   15 o   9.0237   2.1774   65.159   44.020   43.878   53.529  109.611   77.365   7.4975   2.7744   10.550   3.3567 -3.052311 4.354803 
1 1 1   -4   50   16 o   12.111   2.1919  149.996   54.538   82.239   76.170  221.274   78.124   9.5356   3.3366   14.686   2.8432 -5.150086 4.383740 
1 1 1   -4   50   17 o   57.556   0.9160  3219.16  102.079  3444.41  151.107  3030.07  138.445   59.395   1.3106   55.716   1.2801 3.679264 1.831995 
1 1 1   -4   50   18 o   33.092   1.0654  1063.89   67.934  1149.96  103.889  999.596   89.791   34.238   1.5631   31.945   1.4480 2.292837 2.130721 
1 1 1   -4   50   19 o   26.166   1.3822  676.231   67.939  686.265  111.331  670.277   85.758   26.254   2.1845   26.077   1.6941 0.1765060 2.764448 
1 1 1   -4   50   20 o   44.208   0.8912  1914.02   76.444  1839.97  106.444  1992.90  109.853   43.324   1.2657   45.092   1.2550 -1.768196 1.782409 
1 1 1   -4   50   21 o   33.636   1.0516  1112.79   68.577  1062.47   94.160  1169.64  100.074   32.831   1.4775   34.440   1.4969 -1.609081 2.103230 
1 1 1   -4   50   22 o   20.696   1.5426  431.280   61.682  444.563   92.341  420.578   82.885   20.950   2.2707   20.443   2.0887 0.5071125 3.085233 
1 1 1   -4   50   23 o   9.5911   2.4565   89.369   60.512   51.811   92.002  118.005   80.334   8.7123   3.5192   10.470   3.4283 -1.757667 4.913011 
1 1 1   -4   50   24 o   10.663   2.7137  118.811   69.095  142.521  117.349  106.230   85.483   11.325   4.1211   9.9999   3.5319 1.325480 5.427479 
1 1 1   -4   51    1 o   18.430   4.7958  267.161   61.045  271.344   61.185 -641.2609  901.599   16.688   1.8887   20.172   9.4037 -3.484060 9.591538 
1 1 1   -4   51    2 o   31.784   5.9054  876.887   68.232  875.135   68.411  1211.19  945.012   30.005   1.1745   33.562   11.752 -3.557150 11.81071 
1 1 1   -4   51    3 o   25.902   5.4820  779.674   63.653  783.873   63.742 -729.6210  1208.35   28.398   1.1563   23.406   10.903 4.991554 10.96410 
1 1 1   -4   51    4 o   37.301   6.0538  1996.22   84.085  2004.41   84.326  566.271  1114.16   45.420   0.9564   29.182   12.070 16.23823 12.10761 
1 1 1   -4   51    5 o   30.683   1.0821  914.973   64.453  914.973   64.453   0.0000   0.0000   30.683   1.0821  ?   ?       ?      ? 
1 1 1   -4   51    6 o   8.3996   2.9826   59.721   61.037   59.721   61.037   0.0000   0.0000   8.3996   2.9826  ?   ?       ?      ? 
1 1 1   -4   51    7 o   47.888   0.9455  2228.10   87.890  2228.10   87.890   0.0000   0.0000   47.888   0.9455  ?   ?       ?      ? 
1 1 1   -4   51    8 o   68.015   1.0123  4495.64  133.652  4495.64  133.652   0.0000   0.0000   68.015   1.0123  ?   ?       ?      ? 
1 1 1   -4   51    9 o   55.653   0.9724  3009.82  105.045  3009.82  105.045   0.0000   0.0000   55.653   0.9724  ?   ?       ?      ? 
1 1 1   -4   51   10 o   59.125   0.8137  3424.64   89.336  3488.71  111.725  3311.06  148.763   59.914   0.9606   58.336   1.3137 1.578545 1.627454 
1 1 1   -4   51   11 o   26.160   1.0996  694.980   53.146  786.503   68.538  556.963   84.166   28.430   1.2419   23.890   1.8149 4.540241 2.199146 
1 1 1   -4   51   12 o   20.647   1.2696  399.386   49.120  356.225   60.694  481.321   83.624   19.107   1.6364   22.187   1.9417 -3.079323 2.539228 
1 1 1   -4   51   13 o   46.738   0.7911  2113.60   69.809  2073.99   88.541  2178.69  113.490   46.176   0.9878   47.299   1.2361 -1.122486 1.582258 
1 1 1   -4   51   14 o   21.000   1.2577  418.184   49.506  383.954   61.386  481.863   83.728   19.826   1.5951   22.175   1.9451 -2.349802 2.515462 
1 1 1   -4   51   15 o   15.702   1.7390  255.143   49.752  289.103   65.415  208.543   76.629   17.160   1.9637   14.244   2.8706 2.916798 3.478021 
1 1 1   -4   51   16 o   6.8446   2.1238 -16.8334   54.267  -3.2665   78.504 -29.2496   75.101   7.1978   3.1000   6.4914   2.9038 0.7064338 4.247594 
1 1 1   -4   51   17 o   7.5159   2.2359   5.4215   55.899   38.639   83.884 -21.1123   74.971   8.4054   3.3725   6.6265   2.9365 1.778953 4.471806 
1 1 1   -4   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   51   19 o   18.573   1.8654  334.791   64.944  405.665  110.441  297.330   80.293   19.949   2.8520   17.198   2.4051 2.750980 3.730719 
1 1 1   -4   51   20 o   37.750   0.9823  1401.57   71.946  1433.01  100.950  1369.12  102.565   38.189   1.3617   37.310   1.4161 0.8795166 1.964642 
1 1 1   -4   51   21 o   29.400   1.1391  856.522   64.945  851.547   93.753  861.112   90.052   29.304   1.6482   29.496   1.5728 -0.1921635 2.278177 
1 1 1   -4   51   22 o   28.678   1.1616  819.080   64.318  807.202   95.610  828.898   86.927   28.449   1.7313   28.907   1.5492 -0.4571056 2.323178 
1 1 1   -4   51   23 f   16.111   2.1290  282.299   64.043  297.702   93.764  268.830   87.683   16.517   3.0363   15.705   2.9852 0.8116217 4.257975 
1 1 1   -4   52    1 o   19.585   4.6204  373.819   65.643  379.936   65.839 -648.3839  851.096   19.753   1.7171   19.417   9.0798 0.3357601 9.240727 
1 1 1   -4   52    2 o   20.319   6.6771   80.331   60.846   78.901   60.913  726.097  1294.34   9.1431   2.9849   31.495   13.016 -22.35149 13.35414 
1 1 1   -4   52    3 o   19.913   5.1419  259.963   65.475  260.801   65.683  128.379  823.367   16.353   2.0691   23.474   10.073 -7.120777 10.28376 
1 1 1   -4   52    4 o   24.361   1.3255  577.146   62.681  577.146   62.681   0.0000   0.0000   24.361   1.3255  ?   ?       ?      ? 
1 1 1   -4   52    5 o   18.810   1.8146  344.749   66.260  344.749   66.260   0.0000   0.0000   18.810   1.8146  ?   ?       ?      ? 
1 1 1   -4   52    6 o   21.411   1.5337  446.240   63.746  446.240   63.746   0.0000   0.0000   21.411   1.5337  ?   ?       ?      ? 
1 1 1   -4   52    7 f   13.679   2.4489  188.438   62.638  188.438   62.638   0.0000   0.0000   13.679   2.4489  ?   ?       ?      ? 
1 1 1   -4   52    8 o   27.817   1.2329  752.599   66.576  752.599   66.576   0.0000   0.0000   27.817   1.2329  ?   ?       ?      ? 
1 1 1   -4   52    9 o   84.602   1.1267  6960.42  185.030  6960.42  185.030   0.0000   0.0000   84.602   1.1267  ?   ?       ?      ? 
1 1 1   -4   52   10 o   48.190   0.7866  2244.28   70.169  2211.22   86.700  2307.05  119.469   47.694   0.9365   48.686   1.2641 -0.9917526 1.573200 
1 1 1   -4   52   11 o   40.831   0.8128  1614.99   62.282  1593.81   78.361  1651.33  102.627   40.482   0.9972   41.179   1.2839 -0.6967964 1.625635 
1 1 1   -4   52   12 o   21.252   1.2418  438.639   50.546  425.346   65.860  457.691   78.844   20.873   1.6255   21.631   1.8778 -0.7578678 2.483562 
1 1 1   -4   52   13 o   29.317   0.9885  849.389   53.558  876.300   66.866  801.222   89.457   29.997   1.1483   28.637   1.6092 1.360004 1.976927 
1 1 1   -4   52   14 o   32.700   0.9354  1069.82   57.087  1156.83   73.253  935.257   91.099   34.463   1.0950   30.937   1.5170 3.525972 1.870885 
1 1 1   -4   52   15 o   39.431   0.8085  1516.89   59.529  1520.34   74.668  1510.88   98.613   39.516   0.9734   39.346   1.2911 0.1699295 1.616960 
1 1 1   -4   52   16 o   17.871   1.4855  335.272   47.384  379.079   59.187  257.085   79.073   19.669   1.5501   16.072   2.5345 3.597540 2.970991 
1 1 1   -4   52   17 o   9.3981   2.4150   77.925   56.914   73.274   83.920   81.886   77.447   9.3411   3.4703   9.4551   3.3594 -0.1140594 4.829988 
1 1 1   -4   52   18 o   15.438   2.0568  229.442   58.970  371.385   96.754  145.551   74.382   19.178   2.5989   11.697   3.1885 7.481311 4.113513 
1 1 1   -4   52   19 f   14.169   2.3105  239.525   64.746  107.390  109.937  309.694   80.113   10.781   3.9786   17.558   2.3506 -6.776412 4.621093 
1 1 1   -4   52   20 o   26.922   1.2670  726.342   65.532  617.205   93.550  831.491   91.826   24.866   1.9381   28.978   1.6324 -4.112305 2.533977 
1 1 1   -4   52   21 o   10.459   2.4512  110.253   59.598  158.260   87.946   69.485   81.044   11.964   3.5389   8.9547   3.3927 3.009427 4.902460 
1 1 1   -4   52   22 o   32.346   1.1370  1045.58   71.116  965.512  102.091  1121.06   99.122   31.095   1.6914   33.597   1.5199 -2.502024 2.273936 
1 1 1   -4   52   23 o   10.659   2.6246   95.132   69.199  219.268  115.844   26.263   86.285   13.493   4.0777   7.8241   3.3056 5.669285 5.249249 
1 1 1   -4   53    1 o   31.219   7.0218  570.267   64.054  567.692   64.126  1713.82  1351.45   24.157   1.3675   38.282   13.977 -14.12486 14.04352 
1 1 1   -4   53    2 o   58.694   0.9564  3347.45  108.969  3347.45  108.969   0.0000   0.0000   58.694   0.9564  ?   ?       ?      ? 
1 1 1   -4   53    3 o   11.303   2.7954  130.125   60.990  130.125   60.990   0.0000   0.0000   11.303   2.7954  ?   ?       ?      ? 
1 1 1   -4   53    4 o   52.496   0.9350  2677.72   95.281  2677.72   95.281   0.0000   0.0000   52.496   0.9350  ?   ?       ?      ? 
1 1 1   -4   53    5 o   46.129   0.9428  2067.67   84.425  2067.67   84.425   0.0000   0.0000   46.129   0.9428  ?   ?       ?      ? 
1 1 1   -4   53    6 o   87.872   1.1778  7508.72  200.910  7508.72  200.910   0.0000   0.0000   87.872   1.1778  ?   ?       ?      ? 
1 1 1   -4   53    7 o   32.000   1.2249  996.102   76.090  996.102   76.090   0.0000   0.0000   32.000   1.2249  ?   ?       ?      ? 
1 1 1   -4   53    8 o  121.506   1.5292 14385.47  360.691 14385.47  360.691   0.0000   0.0000  121.506   1.5292  ?   ?       ?      ? 
1 1 1   -4   53    9 o   38.340   1.0920  1429.98   81.273  1429.98   81.273   0.0000   0.0000   38.340   1.0920  ?   ?       ?      ? 
1 1 1   -4   53   10 o   5.9089   2.6692 -34.1457   65.213 -34.1457   65.213   0.0000   0.0000   5.9089   2.6692  ?   ?       ?      ? 
1 1 1   -4   53   11 o   30.991   0.9152  919.171   53.420  871.008   67.035  1002.97   88.424   29.911   1.1545   32.072   1.4203 -2.160856 1.830371 
1 1 1   -4   53   12 o   6.3665   1.9904 -18.0788   46.957 -16.9128   59.244 -20.0489   77.010   5.9400   2.6224   6.7930   2.9949 -0.8530402 3.980746 
1 1 1   -4   53   13 o   21.860   1.2579  467.643   51.878  465.815   65.967  470.607   83.987   21.828   1.5568   21.892   1.9763 -0.6399155E-01 2.515822 
1 1 1   -4   53   14 o   13.934   1.8942  211.856   47.776  257.206   61.260  141.451   76.328   16.177   1.9508   11.690   3.2474 4.487164 3.788324 
1 1 1   -4   53   15 o   7.5840   2.1490   17.898   48.701 -13.7278   62.669   66.117   77.382   6.1716   2.7119   8.9964   3.3344 -2.824771 4.297979 
1 1 1   -4   53   16 o   14.260   1.8506  202.907   49.202  133.236   65.114  295.631   75.118   11.276   2.9433   17.244   2.2441 -5.967840 3.701257 
1 1 1   -4   53   17 o   38.088   0.9672  1425.39   71.272  1393.24  104.469  1453.39   97.481   37.667   1.4288   38.509   1.3040 -0.8418236 1.934401 
1 1 1   -4   53   18 o   17.892   1.8078  313.762   61.611  374.819   99.594  275.911   78.416   19.229   2.6682   16.555   2.4401 2.673204 3.615688 
1 1 1   -4   53   19 o   33.470   1.1508  1110.02   72.886  1098.82  116.480  1117.23   93.440   33.259   1.8042   33.681   1.4292 -0.4217224 2.301657 
1 1 1   -4   53   20 o   38.642   1.0769  1459.11   77.724  1545.34  130.427  1411.63   96.786   39.423   1.7043   37.861   1.3169 1.561615 2.153824 
1 1 1   -4   53   21 o   12.825   2.3699  181.285   61.767  248.739   89.285  119.371   85.540   15.083   3.1511   10.567   3.5407 4.515867 4.739816 
1 1 1   -4   53   22 o   11.369   2.5273  145.213   62.289  164.519   90.925  128.140   85.505   11.989   3.6103   10.750   3.5377 1.238386 5.054682 
1 1 1   -4   54    1 o   48.448   0.9592  2281.08   90.211  2281.08   90.211   0.0000   0.0000   48.448   0.9592  ?   ?       ?      ? 
1 1 1   -4   54    2 o   47.260   0.9756  2170.68   89.502  2170.68   89.502   0.0000   0.0000   47.260   0.9756  ?   ?       ?      ? 
1 1 1   -4   54    3 o   25.485   1.3181  631.915   65.205  631.915   65.205   0.0000   0.0000   25.485   1.3181  ?   ?       ?      ? 
1 1 1   -4   54    4 o   32.258   1.1498  1011.97   72.001  1011.97   72.001   0.0000   0.0000   32.258   1.1498  ?   ?       ?      ? 
1 1 1   -4   54    5 o   53.275   0.9500  2758.61   98.240  2758.61   98.240   0.0000   0.0000   53.275   0.9500  ?   ?       ?      ? 
1 1 1   -4   54    6 o   44.746   0.9805  1946.53   85.165  1946.53   85.165   0.0000   0.0000   44.746   0.9805  ?   ?       ?      ? 
1 1 1   -4   54    7 o   73.223   1.0418  5214.46  148.086  5214.46  148.086   0.0000   0.0000   73.223   1.0418  ?   ?       ?      ? 
1 1 1   -4   54    8 o   42.906   0.9835  1790.35   81.915  1790.35   81.915   0.0000   0.0000   42.906   0.9835  ?   ?       ?      ? 
1 1 1   -4   54    9 o   55.074   0.9465  2949.70  101.193  2949.70  101.193   0.0000   0.0000   55.074   0.9465  ?   ?       ?      ? 
1 1 1   -4   54   10 f   5.5898   2.5284 -31.5364   58.737 -31.5364   58.737   0.0000   0.0000   5.5898   2.5284  ?   ?       ?      ? 
1 1 1   -4   54   11 o   43.964   0.8221  1897.30   67.816  1941.76   86.121  1824.73  110.023   44.669   0.9932   43.259   1.3102 1.409447 1.644117 
1 1 1   -4   54   12 o   3.8455   1.9320 -190.1340   63.899 -190.1340   63.899   0.0000   0.0000   3.8455   1.9320  ?   ?       ?      ? 
1 1 1   -4   54   13 o   21.056   1.2049  428.616   48.500  402.848   62.570  467.403   76.765   20.287   1.5888   21.825   1.8119 -1.537687 2.409862 
1 1 1   -4   54   14 o   23.895   1.1646  555.717   53.215  536.157   69.002  584.425   83.596   23.399   1.5192   24.391   1.7656 -0.9925308 2.329212 
1 1 1   -4   54   15 o   28.663   1.0217  812.585   55.359  839.475   71.347  771.905   87.755   29.299   1.2545   28.027   1.6130 1.272242 2.043379 
1 1 1   -4   54   16 o   16.875   1.5745  283.224   50.361  280.088   64.486  288.128   80.633   16.804   1.9769   16.946   2.4512 -0.1419983 3.149043 
1 1 1   -4   54   17 o   17.477   1.4708  299.826   49.110  279.884   63.230  330.149   77.967   16.785   1.9405   18.169   2.2107 -1.383156 2.941553 
1 1 1   -4   54   18 o   14.511   2.2619  217.934   61.375  282.636   97.448  175.395   79.015   16.262   3.2010   12.760   3.1967 3.501841 4.523869 
1 1 1   -4   54   19 o   12.623   2.4404  184.849   64.174  107.411  105.335  230.558   80.927   10.559   3.8949   14.686   2.9413 -4.127031 4.880702 
1 1 1   -4   54   20 o   25.852   1.2986  670.763   64.950  621.787   93.033  717.330   90.717   24.890   1.9255   26.814   1.7428 -1.923956 2.597132 
1 1 1   -4   54   21 o   8.0680   2.3629   25.246   62.059   72.861   91.227 -15.7687   84.668   9.1863   3.5688   6.9496   3.0978 2.236717 4.725749 
1 1 1   -4   54   22 o   7.8012   2.4356   1.2104   71.455 -27.6443  116.491   18.616   90.475   7.8174   3.5459   7.7850   3.3400 0.3237629E-01 4.871260 
1 1 1   -4   55    1 o   49.325   0.9714  2365.15   93.005  2365.15   93.005   0.0000   0.0000   49.325   0.9714  ?   ?       ?      ? 
1 1 1   -4   55    2 o   51.423   0.9681  2570.72   96.642  2570.72   96.642   0.0000   0.0000   51.423   0.9681  ?   ?       ?      ? 
1 1 1   -4   55    3 o   69.229   1.0234  4660.33  137.533  4660.33  137.533   0.0000   0.0000   69.229   1.0234  ?   ?       ?      ? 
1 1 1   -4   55    4 o   19.738   1.5914  379.915   60.974  379.915   60.974   0.0000   0.0000   19.738   1.5914  ?   ?       ?      ? 
1 1 1   -4   55    5 o   5.9100   2.6441 -26.4590   62.298 -26.4590   62.298   0.0000   0.0000   5.9100   2.6441  ?   ?       ?      ? 
1 1 1   -4   55    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   55    7 o   35.616   1.0955  1234.38   75.739  1234.38   75.739   0.0000   0.0000   35.616   1.0955  ?   ?       ?      ? 
1 1 1   -4   55    8 o   6.2602   2.7520 -15.9172   64.589 -15.9172   64.589   0.0000   0.0000   6.2602   2.7520  ?   ?       ?      ? 
1 1 1   -4   55    9 o   54.405   0.9796  2879.85  103.450  2879.85  103.450   0.0000   0.0000   54.405   0.9796  ?   ?       ?      ? 
1 1 1   -4   55   10 o   55.779   0.9916  3028.24  107.365  3028.24  107.365   0.0000   0.0000   55.779   0.9916  ?   ?       ?      ? 
1 1 1   -4   55   11 o   58.028   0.8013  3298.06   87.054  3346.45  109.946  3216.75  142.527   58.633   0.9660   57.423   1.2786 1.210155 1.602507 
1 1 1   -4   55   12 o   15.997   1.6977  265.907   49.208  302.147   64.392  215.033   76.294   17.537   1.8915   14.457   2.8198 3.079406 3.395470 
1 1 1   -4   55   13 o   16.205   1.6287  256.658   50.661  237.803   66.004  283.690   79.033   15.506   2.1929   16.903   2.4086 -1.397497 3.257320 
1 1 1   -4   55   14 o   24.422   1.1078  581.069   52.055  552.868   68.519  619.564   80.053   23.741   1.4868   25.103   1.6428 -1.362177 2.215677 
1 1 1   -4   55   15 o   15.762   1.6842  242.920   50.824  214.621   65.578  285.482   80.424   14.655   2.3052   16.869   2.4560 -2.214275 3.368354 
1 1 1   -4   55   16 o   15.163   1.8664  227.714   52.579  165.376   68.179  319.200   82.594   12.506   2.8694   17.821   2.3876 -5.315042 3.732853 
1 1 1   -4   55   17 o   17.955   1.5659  322.870   53.980  320.700   71.217  325.799   82.755   17.926   2.0466   17.983   2.3706 -0.5767822E-01 3.131840 
1 1 1   -4   55   18 o   20.491   1.6609  443.315   62.636  350.872   98.850  505.331   80.964   18.468   2.7574   22.515   1.8525 -4.047258 3.321875 
1 1 1   -4   55   19 o   12.623   2.5733  178.207   66.037  175.041  102.485  180.456   86.353   12.490   3.8475   12.755   3.4183 -0.2649698 5.146643 
1 1 1   -4   55   20 o   13.847   2.3485  213.255   62.788  173.082   86.972  256.984   90.739   12.400   3.4743   15.294   3.1609 -2.893935 4.697028 
1 1 1   -4   55   21 o   15.158   2.2933  258.065   65.457  244.524   92.214  271.818   92.932   14.706   3.3101   15.611   3.1748 -0.9048395 4.586567 
1 1 1   -4   56    1 o   67.147   1.0204  4385.60  133.010  4385.60  133.010   0.0000   0.0000   67.147   1.0204  ?   ?       ?      ? 
1 1 1   -4   56    2 o   41.165   1.0089  1648.19   80.616  1648.19   80.616   0.0000   0.0000   41.165   1.0089  ?   ?       ?      ? 
1 1 1   -4   56    3 o   30.126   1.2262  883.672   71.706  883.672   71.706   0.0000   0.0000   30.126   1.2262  ?   ?       ?      ? 
1 1 1   -4   56    4 o   49.249   0.9591  2358.79   91.694  2358.79   91.694   0.0000   0.0000   49.249   0.9591  ?   ?       ?      ? 
1 1 1   -4   56    5 o   38.883   1.0018  1470.75   75.616  1470.75   75.616   0.0000   0.0000   38.883   1.0018  ?   ?       ?      ? 
1 1 1   -4   56    6 o   9.7865   2.9327   95.959   60.105   95.959   60.105   0.0000   0.0000   9.7865   2.9327  ?   ?       ?      ? 
1 1 1   -4   56    7 o   33.900   1.0789  1118.75   71.000  1118.75   71.000   0.0000   0.0000   33.900   1.0789  ?   ?       ?      ? 
1 1 1   -4   56    8 o   24.073   1.4428  565.695   67.420  565.695   67.420   0.0000   0.0000   24.073   1.4428  ?   ?       ?      ? 
1 1 1   -4   56    9 o   17.747   1.7260  308.453   59.461  308.453   59.461   0.0000   0.0000   17.747   1.7260  ?   ?       ?      ? 
1 1 1   -4   56   10 o   25.181   1.2652  618.636   61.846  618.636   61.846   0.0000   0.0000   25.181   1.2652  ?   ?       ?      ? 
1 1 1   -4   56   11 o   6.2706   2.7531 -13.8848   64.464 -13.8848   64.464   0.0000   0.0000   6.2706   2.7531  ?   ?       ?      ? 
1 1 1   -4   56   12 f   17.696   1.5439  327.651   49.754  383.555   64.204  243.610   78.720   19.765   1.6734   15.627   2.5950 4.137928 3.087725 
1 1 1   -4   56   13 o   13.472   2.0068  185.635   50.176  167.307   64.953  212.759   79.015   12.677   2.7209   14.267   2.9505 -1.589901 4.013566 
1 1 1   -4   56   14 o   5.3950   1.8148 -83.7736   50.796 -81.2457   65.701 -87.5301   80.092   5.0657   2.4143   5.7243   2.7102 -0.6586590 3.629600 
1 1 1   -4   56   15 o   22.847   1.2601  510.853   55.122  483.489   71.483  550.993   86.576   22.129   1.6641   23.564   1.8927 -1.435663 2.520216 
1 1 1   -4   56   16 o   16.515   1.7758  296.944   51.202  343.061   65.011  221.611   83.091   18.601   1.8004   14.429   3.0614 4.172343 3.551566 
1 1 1   -4   56   17 o   20.323   1.3873  421.091   52.917  451.888   68.387  375.135   83.538   21.354   1.6498   19.292   2.2307 2.061750 2.774505 
1 1 1   -4   56   18 o   7.0534   2.0695   11.704   49.637   52.337   64.131 -49.0099   78.392   7.9607   3.0176   6.1461   2.8329 1.814572 4.138992 
1 1 1   -4   56   19 o   8.9512   2.5134   52.454   66.267  101.051   99.683   13.971   88.706   10.169   3.7814   7.7328   3.3121 2.436638 5.026843 
1 1 1   -4   56   20 o   11.556   2.4998  151.097   62.067  180.423   88.218  122.351   87.340   12.556   3.4924   10.556   3.5775 1.999825 4.999541 
1 1 1   -4   57    1 f   34.110   1.0719  1132.37   70.975  1132.37   70.975   0.0000   0.0000   34.110   1.0719  ?   ?       ?      ? 
1 1 1   -4   57    2 o   7.4073   2.9751   26.538   65.353   26.538   65.353   0.0000   0.0000   7.4073   2.9751  ?   ?       ?      ? 
1 1 1   -4   57    3 o   37.282   1.0287  1352.60   74.447  1352.60   74.447   0.0000   0.0000   37.282   1.0287  ?   ?       ?      ? 
1 1 1   -4   57    4 o   20.940   1.6825  428.659   68.391  428.659   68.391   0.0000   0.0000   20.940   1.6825  ?   ?       ?      ? 
1 1 1   -4   57    5 o   19.115   1.8164  357.754   67.399  357.754   67.399   0.0000   0.0000   19.115   1.8164  ?   ?       ?      ? 
1 1 1   -4   57    6 o   51.726   0.9552  2603.64   95.915  2603.64   95.915   0.0000   0.0000   51.726   0.9552  ?   ?       ?      ? 
1 1 1   -4   57    7 o   11.906   2.8212  146.350   64.204  146.350   64.204   0.0000   0.0000   11.906   2.8212  ?   ?       ?      ? 
1 1 1   -4   57    8 o   12.020   2.8449  149.403   65.348  149.403   65.348   0.0000   0.0000   12.020   2.8449  ?   ?       ?      ? 
1 1 1   -4   57    9 o   15.680   2.1106  242.252   64.244  242.252   64.244   0.0000   0.0000   15.680   2.1106  ?   ?       ?      ? 
1 1 1   -4   57   10 o   10.916   3.0031  123.365   65.631  123.365   65.631   0.0000   0.0000   10.916   3.0031  ?   ?       ?      ? 
1 1 1   -4   57   11 o   20.984   1.4965  431.581   60.958  431.581   60.958   0.0000   0.0000   20.984   1.4965  ?   ?       ?      ? 
1 1 1   -4   57   12 o   12.055   2.1692  158.840   51.376  187.697   66.054  114.652   81.739   13.465   2.6215   10.646   3.4568 2.819139 4.338410 
1 1 1   -4   57   13 o   11.299   2.1382  140.919   50.950  189.911   66.156   69.498   79.877   13.519   2.6155   9.0800   3.3832 4.438749 4.276380 
1 1 1   -4   57   14 o   22.067   1.2296  481.544   52.151  481.517   69.110  481.580   79.477   22.095   1.6113   22.039   1.8577 0.5632401E-01 2.459156 
1 1 1   -4   57   15 o   18.105   1.5020  337.056   50.464  366.951   64.575  290.159   80.879   19.255   1.7277   16.954   2.4575 2.300171 3.004004 
1 1 1   -4   57   16 o   9.6354   2.1760   88.477   52.822  155.639   70.861   4.4923   79.241   12.022   3.0359   7.2492   3.1184 4.772411 4.352082 
1 1 1   -4   57   17 o   15.543   1.8498  247.327   54.302  220.549   71.473  283.889   83.516   14.456   2.6445   16.630   2.5871 -2.174463 3.699539 
1 1 1   -4   57   18 f   9.9909   2.1206  103.972   54.275  180.005   69.247 -17.1380   87.395   12.911   2.8401   7.0709   3.1499 5.840046 4.241274 
1 1 1   -4   57   19 o   28.199   1.3485  802.362   73.587  808.677  108.529  796.988  100.116   28.260   1.9783   28.138   1.8329 0.1222649 2.696943 
1 1 1   -4   58    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   58    2 o   65.501   1.0070  4176.35  128.042  4176.35  128.042   0.0000   0.0000   65.501   1.0070  ?   ?       ?      ? 
1 1 1   -4   58    3 o   29.057   1.2026  822.939   67.829  822.939   67.829   0.0000   0.0000   29.057   1.2026  ?   ?       ?      ? 
1 1 1   -4   58    4 o   31.080   1.1366  941.234   68.574  941.234   68.574   0.0000   0.0000   31.080   1.1366  ?   ?       ?      ? 
1 1 1   -4   58    5 o   26.024   1.3167  660.909   66.518  660.909   66.518   0.0000   0.0000   26.024   1.3167  ?   ?       ?      ? 
1 1 1   -4   58    6 o   8.4679   3.0717   60.295   65.123   60.295   65.123   0.0000   0.0000   8.4679   3.0717  ?   ?       ?      ? 
1 1 1   -4   58    7 o   8.6912   3.0901   66.398   65.537   66.398   65.537   0.0000   0.0000   8.6912   3.0901  ?   ?       ?      ? 
1 1 1   -4   58    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   58    9 o   22.823   1.4837  510.142   65.733  510.142   65.733   0.0000   0.0000   22.823   1.4837  ?   ?       ?      ? 
1 1 1   -4   58   10 o   7.7155   2.8878   46.804   58.323   46.804   58.323   0.0000   0.0000   7.7155   2.8878  ?   ?       ?      ? 
1 1 1   -4   58   11 o   28.712   1.2407  806.574   69.152  806.574   69.152   0.0000   0.0000   28.712   1.2407  ?   ?       ?      ? 
1 1 1   -4   58   12 o   5.4644   1.8078 -61.6615   47.827 -46.5834   63.798 -81.0088   72.267   5.5148   2.5468   5.4141   2.5665 0.1007452 3.615627 
1 1 1   -4   58   13 o   20.531   1.3353  408.524   52.404  365.703   67.329  474.329   83.465   19.217   1.8049   21.845   1.9683 -2.627621 2.670577 
1 1 1   -4   58   14 o   18.650   1.4695  339.788   52.021  313.438   65.942  383.211   84.650   17.754   1.9134   19.547   2.2309 -1.792933 2.939044 
1 1 1   -4   58   15 o   13.472   2.0888  192.518   52.460  184.303   68.238  204.388   82.030   13.186   2.7547   13.758   3.1406 -0.5722551 4.177511 
1 1 1   -4   58   16 o   17.258   1.7110  317.023   53.011  350.277   68.014  265.557   84.614   18.719   1.8718   15.798   2.8646 2.920731 3.421948 
1 1 1   -4   58   17 o   24.584   1.1541  625.190   50.833  672.122   62.533  533.766   87.278   26.128   1.2329   23.040   1.9514 3.088186 2.308292 
1 1 1   -4   58   18 o   22.411   1.3585  508.248   56.006  511.603   69.232  501.896   95.273   22.659   1.5740   22.163   2.2145 0.4960594 2.716921 
1 1 1   -4   58   19 o   13.349   2.1846  180.902   54.145  130.007   66.455  281.413   93.389   10.797   3.0411   15.900   3.1372 -5.102385 4.369228 
1 1 1   -4   59    1 o   21.429   1.6396  449.591   68.202  449.591   68.202   0.0000   0.0000   21.429   1.6396  ?   ?       ?      ? 
1 1 1   -4   59    2 o   40.436   1.0248  1592.48   80.443  1592.48   80.443   0.0000   0.0000   40.436   1.0248  ?   ?       ?      ? 
1 1 1   -4   59    3 o   28.749   1.2426  806.309   69.347  806.309   69.347   0.0000   0.0000   28.749   1.2426  ?   ?       ?      ? 
1 1 1   -4   59    4 o   16.446   1.9822  266.066   63.281  266.066   63.281   0.0000   0.0000   16.446   1.9822  ?   ?       ?      ? 
1 1 1   -4   59    5 f   27.518   1.2663  739.206   67.644  739.206   67.644   0.0000   0.0000   27.518   1.2663  ?   ?       ?      ? 
1 1 1   -4   59    6 o   36.307   1.0716  1284.99   75.523  1284.99   75.523   0.0000   0.0000   36.307   1.0716  ?   ?       ?      ? 
1 1 1   -4   59    7 o   42.661   1.0028  1773.83   83.042  1773.83   83.042   0.0000   0.0000   42.661   1.0028  ?   ?       ?      ? 
1 1 1   -4   59    8 f   36.209   1.0879  1279.47   76.464  1279.47   76.464   0.0000   0.0000   36.209   1.0879  ?   ?       ?      ? 
1 1 1   -4   59    9 o   26.419   1.3652  683.780   70.014  683.780   70.014   0.0000   0.0000   26.419   1.3652  ?   ?       ?      ? 
1 1 1   -4   59   10 o   20.059   1.7032  396.830   66.319  396.830   66.319   0.0000   0.0000   20.059   1.7032  ?   ?       ?      ? 
1 1 1   -4   59   11 o   16.810   1.9074  280.382   62.239  280.382   62.239   0.0000   0.0000   16.810   1.9074  ?   ?       ?      ? 
1 1 1   -4   59   12 o   6.3554   2.7729  -7.3829   64.491  -7.3829   64.491   0.0000   0.0000   6.3554   2.7729  ?   ?       ?      ? 
1 1 1   -4   59   13 o   17.869   1.5647  314.855   53.180  294.542   67.825  347.273   85.683   17.178   2.0340   18.559   2.3783 -1.380672 3.129453 
1 1 1   -4   59   14 o   10.205   2.2296  110.329   53.436  160.411   69.234   36.537   84.040   12.223   2.9514   8.1878   3.3426 4.035260 4.459123 
1 1 1   -4   59   15 o   9.3011   2.1775   62.168   49.515   4.4109   62.254  161.626   81.692   6.4781   2.7747   12.124   3.3566 -5.646023 4.354948 
1 1 1   -4   59   16 o   12.323   2.1811  158.687   51.334  127.103   65.262  209.936   83.133   10.813   3.0024   13.833   3.1645 -3.019678 4.362203 
1 1 1   -4   59   17 o   14.556   2.0056  218.199   54.946  175.538   70.641  283.539   87.425   12.662   2.9317   16.450   2.7378 -3.787958 4.011285 
1 1 1   -4   59   18 o   24.406   1.2926  591.319   59.227  562.809   74.096  641.768   98.564   23.712   1.6098   25.100   2.0229 -1.388748 2.585265 
1 1 1   -4   60    1 o   8.4902   3.0425   62.814   63.653   62.814   63.653   0.0000   0.0000   8.4902   3.0425  ?   ?       ?      ? 
1 1 1   -4   60    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   60    3 o   36.793   1.0431  1319.64   74.498  1319.64   74.498   0.0000   0.0000   36.793   1.0431  ?   ?       ?      ? 
1 1 1   -4   60    4 o   38.229   1.0448  1425.03   77.535  1425.03   77.535   0.0000   0.0000   38.229   1.0448  ?   ?       ?      ? 
1 1 1   -4   60    5 o   28.609   1.2988  800.419   72.131  800.419   72.131   0.0000   0.0000   28.609   1.2988  ?   ?       ?      ? 
1 1 1   -4   60    6 o   7.3075   2.9799   23.789   66.693   23.789   66.693   0.0000   0.0000   7.3075   2.9799  ?   ?       ?      ? 
1 1 1   -4   60    7 o   34.077   1.1754  1135.01   77.753  1135.01   77.753   0.0000   0.0000   34.077   1.1754  ?   ?       ?      ? 
1 1 1   -4   60    8 o   29.726   1.2680  865.220   73.169  865.220   73.169   0.0000   0.0000   29.726   1.2680  ?   ?       ?      ? 
1 1 1   -4   60    9 o   21.965   1.5825  475.283   67.472  475.283   67.472   0.0000   0.0000   21.965   1.5825  ?   ?       ?      ? 
1 1 1   -4   60   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   60   11 o   36.451   1.1231  1299.97   79.464  1299.97   79.464   0.0000   0.0000   36.451   1.1231  ?   ?       ?      ? 
1 1 1   -4   60   12 o   17.800   1.9148  315.546   66.164  315.546   66.164   0.0000   0.0000   17.800   1.9148  ?   ?       ?      ? 
1 1 1   -4   60   13 o   13.780   2.0778  210.238   53.841  246.882   69.567  155.499   85.025   15.628   2.2932   11.933   3.4655 3.695086 4.155514 
1 1 1   -4   60   14 f   19.865   1.3941  374.507   51.903  318.589   64.000  481.945   88.712   17.856   1.8464   21.874   2.0892 -4.018160 2.788209 
1 1 1   -4   60   15 o   12.617   2.1846  167.785   53.235  124.907   69.377  229.182   83.018   10.712   3.1360   14.522   3.0423 -3.810415 4.369178 
1 1 1   -4   60   16 o   11.831   1.9227  164.359   54.471  277.914   70.050  -9.3250   86.633   16.510   2.1857   7.1526   3.1638 9.357175 3.845382 
1 1 1   -4   60   17 o   11.117   2.3791  138.186   53.731  137.150   65.465  140.324   94.052   11.108   2.9760   11.127   3.7127 -0.1823425E-01 4.758214 
1 1 1   -4   61    1 o   18.031   1.8310  320.699   64.087  320.699   64.087   0.0000   0.0000   18.031   1.8310  ?   ?       ?      ? 
1 1 1   -4   61    2 o   26.287   1.3531  676.709   69.046  676.709   69.046   0.0000   0.0000   26.287   1.3531  ?   ?       ?      ? 
1 1 1   -4   61    3 o   13.245   2.6340  181.819   65.338  181.819   65.338   0.0000   0.0000   13.245   2.6340  ?   ?       ?      ? 
1 1 1   -4   61    4 o   12.072   2.7683  152.477   63.489  152.477   63.489   0.0000   0.0000   12.072   2.7683  ?   ?       ?      ? 
1 1 1   -4   61    5 o   20.588   1.5923  416.978   63.637  416.978   63.637   0.0000   0.0000   20.588   1.5923  ?   ?       ?      ? 
1 1 1   -4   61    6 o   36.679   1.0490  1313.94   74.689  1313.94   74.689   0.0000   0.0000   36.679   1.0490  ?   ?       ?      ? 
1 1 1   -4   61    7 o   24.412   1.4223  585.493   67.399  585.493   67.399   0.0000   0.0000   24.412   1.4223  ?   ?       ?      ? 
1 1 1   -4   61    8 o   33.250   1.1222  1081.49   72.433  1081.49   72.433   0.0000   0.0000   33.250   1.1222  ?   ?       ?      ? 
1 1 1   -4   61    9 o   21.194   1.6836  443.738   69.267  443.738   69.267   0.0000   0.0000   21.194   1.6836  ?   ?       ?      ? 
1 1 1   -4   61   10 o   22.868   1.6222  516.582   72.009  516.582   72.009   0.0000   0.0000   22.868   1.6222  ?   ?       ?      ? 
1 1 1   -4   61   11 o   5.2845   2.4379 -40.8758   58.236 -40.8758   58.236   0.0000   0.0000   5.2845   2.4379  ?   ?       ?      ? 
1 1 1   -4   61   12 o   16.378   2.1815  270.443   69.357  270.443   69.357   0.0000   0.0000   16.378   2.1815  ?   ?       ?      ? 
1 1 1   -4   61   13 o   10.335   2.2517  112.694   49.051  102.610   63.891  127.169   76.549   9.8321   3.0394   10.837   3.3231 -1.005157 4.503404 
1 1 1   -4   61   14 o   10.553   2.3305  123.389   55.013  153.831   70.235   75.063   88.492   11.858   3.0377   9.2476   3.5352 2.610244 4.661039 
1 1 1   -4   61   15 o   6.7764   2.0730  -4.5543   52.891   38.219   64.410 -93.1166   92.681   7.4533   2.9672   6.0994   2.8957 1.353907 4.146005 
1 1 1   -4   61   16 o   7.7128   2.2386   36.795   52.685   51.082   64.267   7.5178   91.996   7.8075   3.0059   7.6180   3.3181 0.1894665 4.477187 
1 1 1   -4   62    1 o   12.063   2.8430  153.355   65.481  153.355   65.481   0.0000   0.0000   12.063   2.8430  ?   ?       ?      ? 
1 1 1   -4   62    2 o   34.963   1.0877  1194.71   73.824  1194.71   73.824   0.0000   0.0000   34.963   1.0877  ?   ?       ?      ? 
1 1 1   -4   62    3 o   16.916   1.9823  284.262   65.092  284.262   65.092   0.0000   0.0000   16.916   1.9823  ?   ?       ?      ? 
1 1 1   -4   62    4 o   9.0844   3.0635   80.814   64.042   80.814   64.042   0.0000   0.0000   9.0844   3.0635  ?   ?       ?      ? 
1 1 1   -4   62    5 o   10.698   2.9296  120.838   62.623  120.838   62.623   0.0000   0.0000   10.698   2.9296  ?   ?       ?      ? 
1 1 1   -4   62    6 o   9.3051   3.0929   86.119   65.295   86.119   65.295   0.0000   0.0000   9.3051   3.0929  ?   ?       ?      ? 
1 1 1   -4   62    7 o   21.242   1.6587  445.590   68.396  445.590   68.396   0.0000   0.0000   21.242   1.6587  ?   ?       ?      ? 
1 1 1   -4   62    8 o   29.745   1.2614  867.911   72.836  867.911   72.836   0.0000   0.0000   29.745   1.2614  ?   ?       ?      ? 
1 1 1   -4   62    9 o   17.694   1.9361  312.133   66.501  312.133   66.501   0.0000   0.0000   17.694   1.9361  ?   ?       ?      ? 
1 1 1   -4   62   10 o   4.6009   2.2289 -95.9535   61.496 -95.9535   61.496   0.0000   0.0000   4.6009   2.2289  ?   ?       ?      ? 
1 1 1   -4   62   11 o   15.188   2.2598  233.539   66.626  233.539   66.626   0.0000   0.0000   15.188   2.2598  ?   ?       ?      ? 
1 1 1   -4   62   12 o   6.8642   2.8386   20.247   61.611   20.247   61.611   0.0000   0.0000   6.8642   2.8386  ?   ?       ?      ? 
1 1 1   -4   62   13 o   12.001   2.9282  156.912   67.612  156.912   67.612   0.0000   0.0000   12.001   2.9282  ?   ?       ?      ? 
1 1 1   -4   62   14 o   20.451   1.5029  441.456   55.467  476.519   68.879  376.779   93.550   21.848   1.6241   19.054   2.5292 2.793789 3.005795 
1 1 1   -4   62   15 o   9.3763   2.4004   67.744   55.582   25.545   67.719  154.858   97.298   7.1624   2.9701   11.590   3.7719 -4.427681 4.800887 
1 1 1   -4   63    1 o   7.9064   3.0244   47.402   64.791   47.402   64.791   0.0000   0.0000   7.9064   3.0244  ?   ?       ?      ? 
1 1 1   -4   63    2 o   10.193   3.0840  108.381   66.235  108.381   66.235   0.0000   0.0000   10.193   3.0840  ?   ?       ?      ? 
1 1 1   -4   63    3 o   23.590   1.4557  547.336   66.660  547.336   66.660   0.0000   0.0000   23.590   1.4557  ?   ?       ?      ? 
1 1 1   -4   63    4 o   8.3442   3.0321   61.499   63.494   61.499   63.494   0.0000   0.0000   8.3442   3.0321  ?   ?       ?      ? 
1 1 1   -4   63    5 o   7.2255   2.9260   27.163   63.773   27.163   63.773   0.0000   0.0000   7.2255   2.9260  ?   ?       ?      ? 
1 1 1   -4   63    6 o   51.113   0.9722  2552.37   96.464  2552.37   96.464   0.0000   0.0000   51.113   0.9722  ?   ?       ?      ? 
1 1 1   -4   63    7 o   14.282   2.2110  205.083   61.298  205.083   61.298   0.0000   0.0000   14.282   2.2110  ?   ?       ?      ? 
1 1 1   -4   63    8 o   6.6516   2.8399   5.7246   64.844   5.7246   64.844   0.0000   0.0000   6.6516   2.8399  ?   ?       ?      ? 
1 1 1   -4   63    9 o   5.5379   2.5755 -52.3987   66.992 -52.3987   66.992   0.0000   0.0000   5.5379   2.5755  ?   ?       ?      ? 
1 1 1   -4   63   10 o   11.965   2.9520  155.009   68.140  155.009   68.140   0.0000   0.0000   11.965   2.9520  ?   ?       ?      ? 
1 1 1   -4   63   11 o   15.338   2.1231  237.954   63.214  237.954   63.214   0.0000   0.0000   15.338   2.1231  ?   ?       ?      ? 
1 1 1   -4   63   12 o   22.208   1.6985  492.611   73.220  492.611   73.220   0.0000   0.0000   22.208   1.6985  ?   ?       ?      ? 
1 1 1   -4   63   13 o   20.289   1.6790  412.112   66.126  412.112   66.126   0.0000   0.0000   20.289   1.6790  ?   ?       ?      ? 
1 1 1   -4   63   14 o   10.091   2.4547  108.589   56.793  101.439   71.689  120.639   93.067   9.6872   3.2414   10.495   3.6873 -0.8075085 4.909445 
1 1 1   -4   64    1 o   7.3177   2.9042   33.629   61.532   33.629   61.532   0.0000   0.0000   7.3177   2.9042  ?   ?       ?      ? 
1 1 1   -4   64    2 o   21.160   1.6272  442.850   66.840  442.850   66.840   0.0000   0.0000   21.160   1.6272  ?   ?       ?      ? 
1 1 1   -4   64    3 o   7.0336   2.9576   13.679   68.550   13.679   68.550   0.0000   0.0000   7.0336   2.9576  ?   ?       ?      ? 
1 1 1   -4   64    4 o   7.3405   2.9383   32.272   63.509   32.272   63.509   0.0000   0.0000   7.3405   2.9383  ?   ?       ?      ? 
1 1 1   -4   64    5 o   24.395   1.4942  587.621   70.757  587.621   70.757   0.0000   0.0000   24.395   1.4942  ?   ?       ?      ? 
1 1 1   -4   64    6 o   5.8914   2.6601 -27.1690   64.690 -27.1690   64.690   0.0000   0.0000   5.8914   2.6601  ?   ?       ?      ? 
1 1 1   -4   64    7 o   20.615   1.7245  422.784   69.009  422.784   69.009   0.0000   0.0000   20.615   1.7245  ?   ?       ?      ? 
1 1 1   -4   64    8 o   19.130   1.9689  367.283   73.115  367.283   73.115   0.0000   0.0000   19.130   1.9689  ?   ?       ?      ? 
1 1 1   -4   64    9 o   9.6400   3.1534   97.336   67.975   97.336   67.975   0.0000   0.0000   9.6400   3.1534  ?   ?       ?      ? 
1 1 1   -4   64   10 o   14.982   2.1671  227.859   63.023  227.859   63.023   0.0000   0.0000   14.982   2.1671  ?   ?       ?      ? 
1 1 1   -4   64   11 f   15.812   2.2742  255.926   69.804  255.926   69.804   0.0000   0.0000   15.812   2.2742  ?   ?       ?      ? 
1 1 1   -4   64   12 o   5.3913   2.5029 -44.6912   62.830 -44.6912   62.830   0.0000   0.0000   5.3913   2.5029  ?   ?       ?      ? 
1 1 1   -4   64   13 o   27.071   1.4302  729.103   75.155  729.103   75.155   0.0000   0.0000   27.071   1.4302  ?   ?       ?      ? 
1 1 1   -4   65    1 o   10.089   3.1014  107.956   66.630  107.956   66.630   0.0000   0.0000   10.089   3.1014  ?   ?       ?      ? 
1 1 1   -4   65    2 f   15.055   2.2288  229.016   65.136  229.016   65.136   0.0000   0.0000   15.055   2.2288  ?   ?       ?      ? 
1 1 1   -4   65    3 o   21.533   1.6143  459.844   67.477  459.844   67.477   0.0000   0.0000   21.533   1.6143  ?   ?       ?      ? 
1 1 1   -4   65    4 o   10.599   3.0614  120.961   66.517  120.961   66.517   0.0000   0.0000   10.599   3.0614  ?   ?       ?      ? 
1 1 1   -4   65    5 o   10.042   3.1605  107.067   68.735  107.067   68.735   0.0000   0.0000   10.042   3.1605  ?   ?       ?      ? 
1 1 1   -4   65    6 o   18.639   1.8936  348.049   68.512  348.049   68.512   0.0000   0.0000   18.639   1.8936  ?   ?       ?      ? 
1 1 1   -4   65    7 o   11.854   2.8126  151.657   63.743  151.657   63.743   0.0000   0.0000   11.854   2.8126  ?   ?       ?      ? 
1 1 1   -4   65    8 o   9.1290   3.0693   85.765   64.283   85.765   64.283   0.0000   0.0000   9.1290   3.0693  ?   ?       ?      ? 
1 1 1   -4   65    9 o   8.2509   3.1609   57.342   70.841   57.342   70.841   0.0000   0.0000   8.2509   3.1609  ?   ?       ?      ? 
1 1 1   -4   65   10 o   7.0255   2.9555   18.183   68.502   18.183   68.502   0.0000   0.0000   7.0255   2.9555  ?   ?       ?      ? 
1 1 1   -4   65   11 o   23.135   1.4254  532.206   64.011  532.206   64.011   0.0000   0.0000   23.135   1.4254  ?   ?       ?      ? 
1 1 1   -4   66    1 o   15.658   2.2121  248.626   67.236  248.626   67.236   0.0000   0.0000   15.658   2.2121  ?   ?       ?      ? 
1 1 1   -4   66    2 o   12.329   2.7822  163.464   65.005  163.464   65.005   0.0000   0.0000   12.329   2.7822  ?   ?       ?      ? 
1 1 1   -4   66    3 o   15.065   2.2745  230.904   66.517  230.904   66.517   0.0000   0.0000   15.065   2.2745  ?   ?       ?      ? 
1 1 1   -4   66    4 o   23.489   1.5872  548.299   72.369  548.299   72.369   0.0000   0.0000   23.489   1.5872  ?   ?       ?      ? 
1 1 1   -4   66    5 o   20.148   1.7874  406.289   69.907  406.289   69.907   0.0000   0.0000   20.148   1.7874  ?   ?       ?      ? 
1 1 1   -4   66    6 o   13.903   2.4838  204.162   64.574  204.162   64.574   0.0000   0.0000   13.903   2.4838  ?   ?       ?      ? 
1 1 1   -4   66    7 f   8.6159   3.1748   69.583   69.958   69.583   69.958   0.0000   0.0000   8.6159   3.1748  ?   ?       ?      ? 
1 1 1   -4   66    8 o   15.111   2.4668  236.778   72.358  236.778   72.358   0.0000   0.0000   15.111   2.4668  ?   ?       ?      ? 
1 1 1   -4   66    9 o   24.645   1.5920  607.391   76.160  607.391   76.160   0.0000   0.0000   24.645   1.5920  ?   ?       ?      ? 
1 1 1   -4   66   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -4   67    1 o   11.862   2.8135  152.954   63.806  152.954   63.806   0.0000   0.0000   11.862   2.8135  ?   ?       ?      ? 
1 1 1   -4   67    2 o   8.8948   3.1480   78.597   67.944   78.597   67.944   0.0000   0.0000   8.8948   3.1480  ?   ?       ?      ? 
1 1 1   -4   67    3 o   5.3798   2.5355 -64.8120   68.653 -64.8120   68.653   0.0000   0.0000   5.3798   2.5355  ?   ?       ?      ? 
1 1 1   -4   67    4 f   8.2097   3.1274   58.079   69.100   58.079   69.100   0.0000   0.0000   8.2097   3.1274  ?   ?       ?      ? 
1 1 1   -4   67    5 o   27.411   1.4669  746.855   78.050  746.855   78.050   0.0000   0.0000   27.411   1.4669  ?   ?       ?      ? 
1 1 1   -4   67    6 o   15.536   2.2733  248.458   68.559  248.458   68.559   0.0000   0.0000   15.536   2.2733  ?   ?       ?      ? 
1 1 1   -4   67    7 o   7.1998   3.0140   22.863   70.685   22.863   70.685   0.0000   0.0000   7.1998   3.0140  ?   ?       ?      ? 
1 1 1   -4   68    1 o   9.3787   3.1412   93.883   67.326   93.883   67.326   0.0000   0.0000   9.3787   3.1412  ?   ?       ?      ? 
1 1 1   -4   68    2 o   15.677   2.2073  252.528   67.174  252.528   67.174   0.0000   0.0000   15.677   2.2073  ?   ?       ?      ? 
1 1 1   -4   68    3 o   7.8102   3.0728   47.516   68.324   47.516   68.324   0.0000   0.0000   7.8102   3.0728  ?   ?       ?      ? 
1 1 1   -4   68    4 o   7.6656   3.1144   38.144   72.515   38.144   72.515   0.0000   0.0000   7.6656   3.1144  ?   ?       ?      ? 
1 1 1   -3    0    1 o   78.112   0.8852  5924.67  134.111  6051.25  191.989  5804.06  187.417   78.927   1.2538   77.297   1.2498 -0.000000 0.000000 
1 1 1   -3    0    2 f  189.325   2.2930 34837.80  842.116 35188.25  1194.29 34491.26  1187.60  190.274   3.2355  188.377   3.2499 -0.000000 0.000000 
1 1 1   -3    0    3 o  445.677   2.6868 192907.91  2323.75 194449.80  3317.80 191423.30  3255.64  447.423   3.8207  443.931   3.7786 -0.000000 0.000000 
1 1 1   -3    0    4 o  469.245   2.7523 213581.30  2503.22 218533.20  3653.55 209200.20  3436.57  474.361   3.9683  464.130   3.8149 -0.000000 0.000000 
1 1 1   -3    0    5 o  325.360   2.5158 102806.10  1588.23 102254.30  2222.58 103381.80  2270.38  324.470   3.5297  326.251   3.5859 -0.000000 0.000000 
1 1 1   -3    0    6 o  268.298   2.4537 69934.04  1277.39 70266.87  1800.34 69596.61  1812.73  268.942   3.4498  267.653   3.4903 -0.000000 0.000000 
1 1 1   -3    0    7 o   64.365   1.8296  4001.90  122.244  3994.50  127.313  4089.26  437.609   64.126   1.0233   64.604   3.5132 -0.000000 0.000000 
1 1 1   -3    0    8 o   18.405   3.4148  395.890   30.469  396.289   30.778  376.350  215.452   20.160   0.7892   16.650   6.7839 -0.000000 0.000000 
1 1 1   -3    0    9 o  245.173   2.0890 57978.61  872.521 57520.05  1012.81 59298.54  1718.32  243.369   2.1442  246.977   3.5858 -0.000000 0.000000 
1 1 1   -3    0   10 o  117.925   1.1098 13506.42  253.937 13601.63  360.078 13412.21  358.171  118.339   1.5681  117.511   1.5708 -0.000000 0.000000 
1 1 1   -3    0   11 o   28.009   0.6235  761.865   33.759  792.594   49.599  735.341   46.080   28.534   0.8975   27.484   0.8657 -0.000000 0.000000 
1 1 1   -3    0   12 o  114.744   1.0825 12786.07  240.992 12735.25  338.478 12838.32  343.201  114.513   1.5233  114.975   1.5383 -0.000000 0.000000 
1 1 1   -3    0   13 o  383.530   1.9776 142828.41  1472.13 142674.09  2073.93 142985.00  2089.99  383.322   2.7875  383.739   2.8061 -0.000000 0.000000 
1 1 1   -3    0   14 f  243.498   1.5753 57572.64  744.435 57385.56  1050.70 57761.21  1054.89  243.101   2.2269  243.896   2.2285 -0.000000 0.000000 
1 1 1   -3    0   15 o   55.503   0.8115  2996.03   87.267  2934.58  125.249  3054.01  121.659   54.947   1.1755   56.059   1.1190 -0.000000 0.000000 
1 1 1   -3    0   16 o  159.444   1.3771 24686.24  426.043 24364.83  597.918 25017.74  607.221  158.390   1.9453  160.499   1.9496 -0.000000 0.000000 
1 1 1   -3    0   17 o  230.690   1.6309 51669.83  730.037 50663.21  1021.76 52719.62  1043.44  228.395   2.3051  232.985   2.3077 -0.000000 0.000000 
1 1 1   -3    0   18 o  130.992   1.2839 16669.09  326.328 16673.83  462.533 16664.39  460.468  131.010   1.8195  130.974   1.8119 -0.000000 0.000000 
1 1 1   -3    0   19 o   23.072   1.3492  527.419   58.939  615.115   85.144  446.737   81.668   24.982   1.7764   21.161   2.0311 -0.000000 0.000000 
1 1 1   -3    0   20 o   45.051   0.9372  1970.11   81.588  2047.09  120.612  1905.17  110.779   45.859   1.3576   44.243   1.2924 -0.000000 0.000000 
1 1 1   -3    0   21 o   61.947   0.9370  3724.72  112.364  3833.02  164.732  3630.48  153.657   62.787   1.3530   61.108   1.2967 -0.000000 0.000000 
1 1 1   -3    0   22 o   79.692   1.0598  6174.23  163.810  6149.90  232.693  6198.13  230.646   79.536   1.5084   79.849   1.4892 -0.000000 0.000000 
1 1 1   -3    0   23 o   22.963   1.6320  533.986   69.484  489.735  105.653  567.713   92.238   22.006   2.5641   23.919   2.0197 -0.000000 0.000000 
1 1 1   -3    0   24 f   88.675   1.1108  7646.21  191.051  7526.50  270.658  7765.09  269.718   87.982   1.5859   89.369   1.5558 -0.000000 0.000000 
1 1 1   -3    0   25 o  130.728   1.4931 16626.14  378.651 16796.77  539.287 16460.22  531.779  131.389   2.1157  130.067   2.1075 -0.000000 0.000000 
1 1 1   -3    0   26 o   87.828   1.2219  7507.13  208.069  7460.35  297.438  7551.96  291.170   87.557   1.7516   88.100   1.7040 -0.000000 0.000000 
1 1 1   -3    0   27 o   28.710   1.6068  832.394   86.333  710.627  128.754  931.862  116.369   26.655   2.5414   30.766   1.9670 -0.000000 0.000000 
1 1 1   -3    0   28 o   29.894   1.6258  883.724   92.882  914.172  136.493  857.465  126.757   30.367   2.3477   29.420   2.2498 -0.000000 0.000000 
1 1 1   -3    0   29 o   37.212   1.3328  1347.49   95.236  1476.67  143.704  1246.32  127.175   38.794   1.9190   35.631   1.8501 -0.000000 0.000000 
1 1 1   -3    0   30 o   7.2121   3.1048   48.294   81.115   55.995  121.655   42.129  108.841   7.5000   4.5381   6.9241   4.2384 -0.000000 0.000000 
1 1 1   -3    0   31 o   29.956   1.6152  899.584   91.993  818.057  133.357  973.602  127.066   28.575   2.4454   31.338   2.1108 -0.000000 0.000000 
1 1 1   -3    0   32 o   22.994   2.0797  542.223   87.952  623.607  132.976  478.934  117.265   24.600   2.8890   21.387   2.9922 -0.000000 0.000000 
1 1 1   -3    0   33 f   9.3171   3.4348  119.130   84.829  197.697  129.938   60.771  111.988   11.364   5.2952   7.2699   4.3764 -0.000000 0.000000 
1 1 1   -3    0   34 o   11.346   3.7844  202.868   93.856  201.331  143.054  204.030  124.365   11.172   5.5096   11.520   5.1896 -0.000000 0.000000 
1 1 1   -3    0   35 o   18.562   3.0856  427.156   93.753  349.899  145.404  482.128  122.654   16.050   5.2632   21.073   3.2220 -0.000000 0.000000 
1 1 1   -3    1    1 o  118.134   0.8927 13513.54  203.849 13199.38  274.472 13899.99  304.422  116.607   1.2126  119.661   1.3106 -3.053169 1.785472 
1 1 1   -3    1    2 o  120.088   0.8840 13999.21  206.074 13977.21  291.895 14021.08  290.971  119.994   1.2531  120.182   1.2472 -0.1882553 1.768038 
1 1 1   -3    1    3 o   43.851   0.5316  1865.28   45.230  1830.94   62.794  1902.30   65.204   43.432   0.7448   44.270   0.7587 -0.8383179 1.063217 
1 1 1   -3    1    4 o  433.393   1.8980 182317.00  1596.19 180491.91  2222.93 184259.80  2293.42  431.156   2.6560  435.630   2.7121 -4.473816 3.795992 
1 1 1   -3    1    5 o  307.601   1.7590 91865.63  1050.34 92148.65  1487.86 91584.45  1482.96  308.074   2.4880  307.129   2.4874 0.9445190 3.518092 
1 1 1   -3    1    6 o  428.466   1.7489 178210.09  1424.60 178514.20  2256.47 178008.50  1836.99  428.751   2.7112  428.181   2.2101 0.5701294 3.497867 
1 1 1   -3    1    7 o  186.414   1.1939 33735.65  432.008 33984.36  614.236 33492.18  607.719  187.094   1.6913  185.734   1.6856 1.359558 2.387785 
1 1 1   -3    1    8 o   66.213   0.7158  4254.02   91.979  4165.00  128.357  4347.99  131.872   65.502   1.0095   66.925   1.0151 -1.423386 1.431585 
1 1 1   -3    1    9 o  147.437   1.0005 21106.31  278.643 21111.54  355.257 21097.94  449.185  147.466   1.2410  147.408   1.5698 0.5778503E-01 2.001098 
1 1 1   -3    1   10 o  259.769   1.2216 65374.25  604.272 64772.97  780.219 66275.53  955.242  258.290   1.5561  261.249   1.8836 -2.958618 2.443267 
1 1 1   -3    1   11 o  204.081   1.0190 40431.18  403.684 40496.31  571.930 40366.53  569.867  204.245   1.4425  203.917   1.4396 0.3274384 2.038007 
1 1 1   -3    1   12 o  186.655   0.9920 33819.66  359.421 33722.91  507.622 33916.94  508.975  186.388   1.4030  186.923   1.4027 -0.5354309 1.983940 
1 1 1   -3    1   13 o  313.328   1.2048 95303.17  732.752 95751.65  1039.73 94860.61  1032.84  314.060   1.7055  312.596   1.7021 1.464600 2.409511 
1 1 1   -3    1   14 o  232.105   1.1022 52298.23  496.601 52407.32  702.946 52189.53  701.656  232.347   1.5585  231.864   1.5589 0.4833069 2.204387 
1 1 1   -3    1   15 o  257.367   1.1526 64301.72  575.840 63782.52  811.622 64827.98  817.127  256.321   1.6312  258.413   1.6290 -2.092224 2.305276 
1 1 1   -3    1   16 o   87.253   0.7147  7389.58  121.040  7422.98  171.879  7356.71  170.483   87.448   1.0125   87.057   1.0088 0.3912125 1.429312 
1 1 1   -3    1   17 o  154.677   1.0061 23227.25  301.496 23224.15  413.658 23230.78  440.353  154.667   1.3778  154.686   1.4665 -0.1948547E-01 2.012190 
1 1 1   -3    1   18 o  132.171   0.9216 16960.64  236.454 16873.26  333.660 17048.80  335.137  131.829   1.3038  132.513   1.3029 -0.6840210 1.843223 
1 1 1   -3    1   19 o   98.502   0.7707  9418.80  147.360  9560.55  209.652  9280.39  207.168   99.234   1.0884   97.770   1.0916 1.464859 1.541445 
1 1 1   -3    1   20 o  154.895   1.0295 23299.48  309.040 23327.63  450.055 23274.37  425.109  154.980   1.4960  154.809   1.4146 0.1717072 2.058903 
1 1 1   -3    1   21 o  107.846   0.8498 11287.52  177.691 11454.78  258.358 11137.39  244.776  108.603   1.2255  107.090   1.1775 1.512581 1.699512 
1 1 1   -3    1   22 o   84.160   0.7402  6878.56  120.913  6901.40  170.202  6855.28  171.803   84.302   1.0401   84.019   1.0534 0.2827301 1.480329 
1 1 1   -3    1   23 o   69.127   0.7038  4640.70   94.436  4621.44  133.385  4660.06  133.721   68.983   0.9961   69.271   0.9944 -0.2877121 1.407522 
1 1 1   -3    1   24 o   66.601   0.7064  4308.03   91.332  4315.59  129.214  4300.48  129.113   66.660   0.9986   66.543   0.9995 0.1168594 1.412889 
1 1 1   -3    1   25 o   75.820   0.7553  5584.34  111.166  5575.57  156.876  5593.18  157.551   75.760   1.0667   75.879   1.0696 -0.1194153 1.510624 
1 1 1   -3    1   26 o   46.536   0.7900  2104.37   71.285  1978.24  100.076  2234.27  101.564   45.119   1.1426   47.952   1.0911 -2.833473 1.579910 
1 1 1   -3    1   27 o   53.796   0.7710  2812.54   80.507  2805.67  112.915  2819.64  114.817   53.730   1.0826   53.862   1.0981 -0.1326523 1.542056 
1 1 1   -3    1   28 o  100.217   0.9506  9771.31  184.938  9768.13  261.562  9774.49  261.521  100.201   1.3447  100.233   1.3441 -0.3273773E-01 1.901294 
1 1 1   -3    1   29 o   48.183   0.8194  2255.57   76.568  2171.56  105.535  2348.95  111.260   47.238   1.1509   49.128   1.1667 -1.889732 1.638798 
1 1 1   -3    1   30 o   22.669   1.3737  504.595   60.319  490.624   87.463  517.267   83.298   22.361   2.0150   22.977   1.8675 -0.6167259 2.747364 
1 1 1   -3    1   31 o   58.770   0.7930  3368.03   90.453  3299.59  128.001  3436.29  127.839   58.171   1.1336   59.369   1.1093 -1.198586 1.586007 
1 1 1   -3    1   32 o   21.125   1.5441  447.049   62.345  543.136   89.152  355.086   87.218   23.412   1.9617   18.838   2.3851 4.574093 3.088164 
1 1 1   -3    1   33 o   31.732   1.0629  997.210   64.916  849.447   91.733  1145.44   91.878   29.330   1.6112   34.134   1.3866 -4.804543 2.125727 
1 1 1   -3    1   34 o   6.8718   2.1743 -53.0099   64.072   30.285   89.764 -139.5240   91.482   8.1779   3.4077   5.5658   2.7015 2.612143 4.348635 
1 1 1   -3    1   35 o   14.946   2.3565  251.932   66.729  277.269   93.990  226.181   94.753   15.815   3.1719   14.077   3.4858 1.738171 4.712977 
1 1 1   -3    2    1 o  328.926   1.7551 104986.50  1119.85 102756.00  1549.81 107423.50  1619.95  325.275   2.4545  332.576   2.5093 -7.300903 3.510112 
1 1 1   -3    2    2 o   46.382   0.4760  2085.70   40.562  2080.72   49.848  2095.47   69.784   46.300   0.5546   46.463   0.7737 -0.1631088 0.9519634 
1 1 1   -3    2    3 o  192.393   1.6274 35939.71  607.777 36151.01  859.745 35728.64  859.308  192.958   2.2953  191.827   2.3077 1.130890 3.254811 
1 1 1   -3    2    4 o  274.891   1.7120 73361.59  913.514 73796.44  1295.40 72931.42  1288.43  275.701   2.4205  274.080   2.4217 1.620605 3.423931 
1 1 1   -3    2    5 o  544.269   2.0735 287646.81  2190.63 286949.31  3081.98 288359.09  3114.31  543.603   2.9207  544.935   2.9441 -1.331665 4.147050 
1 1 1   -3    2    6 o  246.132   1.5093 58467.41  687.352 59971.37  1171.02 57676.89  848.990  248.521   2.4274  243.743   1.7943 4.777115 3.018581 
1 1 1   -3    2    7 o   79.593   1.2997  6117.12  154.216  6203.93  364.991  6098.25  170.150   79.926   2.3525   79.260   1.1059 0.6653137 2.599470 
1 1 1   -3    2    8 o   40.336   0.4655  1576.46   34.674  1570.29   42.831  1588.20   59.064   40.222   0.5486   40.450   0.7522 -0.2277679 0.9310022 
1 1 1   -3    2    9 o  195.650   1.1160 37039.09  414.392 36570.71  531.166 37767.52  662.405  194.082   1.4099  197.217   1.7303 -3.135361 2.231944 
1 1 1   -3    2   10 o  245.829   1.2041 58653.11  564.000 58550.98  730.514 58803.82  887.420  245.573   1.5324  246.085   1.8577 -0.5114899 2.408209 
1 1 1   -3    2   11 o  218.878   1.1718 46540.37  488.110 46666.49  631.306 46352.91  769.655  219.252   1.4833  218.504   1.8146 0.7480164 2.343674 
1 1 1   -3    2   12 o   61.966   0.5388  3722.91   64.775  3603.45   89.781  3852.60   93.548   60.930   0.7591   63.002   0.7649 -2.071175 1.077638 
1 1 1   -3    2   13 o  620.981   1.6216 374301.91  1953.75 377705.41  2812.39 371127.31  2716.18  623.706   2.3229  618.257   2.2632 5.449341 3.243138 
1 1 1   -3    2   14 o  232.780   1.1025 52602.26  498.182 52418.77  702.961 52787.41  706.121  232.372   1.5584  233.188   1.5599 -0.8155975 2.205005 
1 1 1   -3    2   15 o  115.347   0.8384 12914.17  187.475 12936.84  272.362 12893.76  258.443  115.443   1.2154  115.252   1.1552 0.1916733 1.676787 
1 1 1   -3    2   16 o   46.268   0.7776  2075.70   69.708  2042.22   95.375  2114.10  102.137   45.868   1.0712   46.668   1.1275 -0.7999229 1.555175 
1 1 1   -3    2   17 o  133.856   0.9007 17393.44  234.022 17490.43  332.347 17298.06  329.585  134.226   1.2755  133.486   1.2719 0.7400970 1.801341 
1 1 1   -3    2   18 f  141.422   0.9512 19418.73  261.129 19428.17  368.362 19409.19  370.230  141.456   1.3415  141.387   1.3490 0.6939697E-01 1.902437 
1 1 1   -3    2   19 o   85.941   0.8596  7182.54  138.516  7126.71  227.057  7215.65  174.814   85.670   1.3653   86.211   1.0446 -0.5408783 1.719103 
1 1 1   -3    2   20 o   82.865   0.7144  6666.14  114.906  6618.83  161.420  6714.74  163.606   82.567   1.0071   83.163   1.0135 -0.5958786 1.428768 
1 1 1   -3    2   21 o   33.485   0.7567  1089.32   49.162  1054.69   69.781  1123.45   69.273   32.956   1.0908   34.014   1.0492 -1.057858 1.513445 
1 1 1   -3    2   22 o   48.693   0.6608  2301.30   62.450  2244.32   87.321  2360.95   89.349   48.076   0.9357   49.310   0.9334 -1.233406 1.321663 
1 1 1   -3    2   23 o   68.550   0.6911  4563.54   91.970  4562.11  130.136  4564.98  129.994   68.540   0.9781   68.561   0.9767 -0.2158356E-01 1.382296 
1 1 1   -3    2   24 o   38.884   0.7596  1468.47   57.327  1458.23   80.440  1479.03   81.720   38.747   1.0695   39.022   1.0788 -0.2750359 1.519103 
1 1 1   -3    2   25 o   82.302   0.7867  6580.70  125.678  6538.37  177.993  6622.79  177.479   82.037   1.1177   82.566   1.1073 -0.5286484 1.573361 
1 1 1   -3    2   26 o   83.660   0.8251  6801.02  133.972  6842.37  191.573  6761.45  187.425   83.908   1.1762   83.412   1.1575 0.4959335 1.650213 
1 1 1   -3    2   27 o   92.321   0.8945  8286.20  160.292  8207.83  224.819  8367.22  228.603   91.878   1.2605   92.764   1.2695 -0.8866119 1.789025 
1 1 1   -3    2   28 o   76.341   0.8188  5663.60  121.302  5803.15  174.056  5531.82  169.143   77.255   1.1606   75.428   1.1552 1.827087 1.637548 
1 1 1   -3    2   29 o   21.049   1.5143  437.529   61.086  516.927   86.388  358.129   86.389   22.992   1.9356   19.105   2.3294 3.886496 3.028607 
1 1 1   -3    2   30 o   34.351   0.9635  1152.09   64.190  1197.38   90.248  1105.72   91.319   35.040   1.3268   33.663   1.3975 1.376514 1.927006 
1 1 1   -3    2   31 o   21.491   1.4880  453.308   61.836  513.513   90.666  400.950   84.551   22.829   2.0460   20.154   2.1612 2.674101 2.976014 
1 1 1   -3    2   32 o   28.578   1.1749  804.846   65.127  767.617   91.880  842.440   92.329   27.904   1.6962   29.251   1.6261 -1.346689 2.349725 
1 1 1   -3    2   33 o   15.453   2.1380  253.211   61.826  242.690   87.588  263.658   87.283   15.098   3.0926   15.808   2.9530 -0.7102451 4.275992 
1 1 1   -3    2   34 o   13.231   2.4038  194.906   64.330  260.459   90.626  128.328   91.332   15.506   3.1189   10.955   3.6586 4.550764 4.807578 
1 1 1   -3    2   35 o   14.674   2.2883  241.099   65.692  320.474   93.187  162.688   92.620   17.435   2.7534   11.914   3.6556 5.521238 4.576554 
1 1 1   -3    3    1 o  337.426   1.7665 110567.70  1156.99 109959.10  1624.95 111193.40  1647.76  336.485   2.4878  338.366   2.5087 -1.881531 3.533031 
1 1 1   -3    3    2 o  200.149   1.6309 38896.09  633.619 38526.31  891.205 39274.06  901.021  199.187   2.3049  201.110   2.3080 -1.923538 3.261812 
1 1 1   -3    3    3 o  343.102   1.7696 114300.90  1178.58 114188.90  1663.95 114413.70  1669.60  342.933   2.4996  343.270   2.5056 -0.3369446 3.539197 
1 1 1   -3    3    4 o  185.103   1.6450 33262.50  591.076 33053.29  832.325 33475.36  839.537  184.516   2.3238  185.690   2.3291 -1.174240 3.290074 
1 1 1   -3    3    5 o  161.896   1.4130 25496.52  411.783 25308.20  734.781 25582.74  497.196  161.452   2.3445  162.340   1.5777 -0.8875580 2.825941 
1 1 1   -3    3    6 o  412.822   1.7213 165880.59  1359.40 163087.59  2100.55 167893.30  1783.17  409.809   2.6405  415.835   2.2091 -6.026154 3.442700 
1 1 1   -3    3    7 o  204.780   1.2187 40714.15  484.449 41149.75  686.821 40282.85  683.422  205.870   1.7186  203.690   1.7284 2.180481 2.437465 
1 1 1   -3    3    8 o   28.221   0.4685  773.580   25.646  794.382   35.944  752.010   36.602   28.608   0.6473   27.834   0.6774 0.7735157 0.9369398 
1 1 1   -3    3    9 o  261.008   1.2475 66115.17  627.066 65861.55  835.125 66442.98  949.443  260.442   1.6519  261.574   1.8699 -1.132263 2.495003 
1 1 1   -3    3   10 o  275.413   1.2454 73628.02  654.390 73526.90  850.104 73775.09  1025.19  275.191   1.5914  275.635   1.9160 -0.4436646 2.490716 
1 1 1   -3    3   11 o  269.346   1.2493 70508.37  642.157 70853.58  835.994 70011.55  1002.92  270.158   1.5941  268.534   1.9240 1.623077 2.498585 
1 1 1   -3    3   12 o  300.688   1.3015 87789.02  747.063 87861.67  972.232 87684.30  1167.34  300.845   1.6648  300.530   2.0010 0.3157349 2.602981 
1 1 1   -3    3   13 o  175.073   1.0233 29795.53  346.780 30367.00  475.428 29145.83  506.927  176.870   1.3847  173.275   1.5071 3.594864 2.046664 
1 1 1   -3    3   14 o  261.621   1.1455 66445.57  581.760 66233.08  820.775 66660.12  824.703  261.201   1.6188  262.042   1.6213 -0.8406067 2.291069 
1 1 1   -3    3   15 o   74.596   0.6365  5401.11   92.166  5413.37  131.174  5389.16  129.528   74.679   0.9049   74.512   0.8955 0.1671448 1.273071 
1 1 1   -3    3   16 o  159.231   0.9728 24613.57  300.678 24423.49  425.274 24803.56  425.172  158.616   1.3812  159.846   1.3702 -1.229645 1.945583 
1 1 1   -3    3   17 o  171.074   1.0309 28412.29  342.324 28106.66  482.246 28722.71  486.016  170.147   1.4601  172.002   1.4556 -1.854691 2.061728 
1 1 1   -3    3   18 o  245.602   1.1835 58578.64  564.255 58591.49  799.527 58565.89  796.437  245.629   1.6768  245.576   1.6707 0.5316162E-01 2.367071 
1 1 1   -3    3   19 o  116.059   0.8487 13077.22  191.200 12997.04  268.869 13159.27  271.954  115.699   1.1971  116.419   1.2034 -0.7196426 1.697436 
1 1 1   -3    3   20 o  136.151   0.9255 18001.13  244.609 17966.82  346.836 18035.09  345.028  136.021   1.3136  136.280   1.3042 -0.2586670 1.851081 
1 1 1   -3    3   21 o   70.976   0.6879  4890.98   94.776  4929.92  134.765  4852.88  133.315   71.255   0.9743   70.696   0.9714 0.5588531 1.375854 
1 1 1   -3    3   22 o   66.405   0.6757  4282.15   87.091  4236.94  123.388  4327.03  122.942   66.056   0.9623   66.755   0.9488 -0.6990204 1.351336 
1 1 1   -3    3   23 o   33.420   0.8031  1084.83   52.097  1091.11   74.204  1078.73   73.160   33.516   1.1406   33.325   1.1309 0.1903877 1.606199 
1 1 1   -3    3   24 o   61.510   0.6947  3673.54   82.939  3595.21  116.296  3754.62  118.316   60.843   0.9847   62.177   0.9803 -1.334415 1.389434 
1 1 1   -3    3   25 o  135.352   1.0808 17812.57  283.977 17659.93  400.797 17966.45  402.418  134.769   1.5320  135.934   1.5250 -1.165665 2.161691 
1 1 1   -3    3   26 o  127.248   1.1010 15750.78  271.963 15851.28  385.982 15651.69  383.260  127.651   1.5577  126.845   1.5565 0.8060150 2.202067 
1 1 1   -3    3   27 f  100.389   0.9443  9800.80  184.019  9847.92  261.323  9754.45  259.175  100.628   1.3378  100.150   1.3331 0.4779968 1.888644 
1 1 1   -3    3   28 o   10.213   2.3043   82.206   59.493  -9.1762   84.184  173.377   84.087   7.4033   3.1993   13.023   3.3171 -5.619278 4.608569 
1 1 1   -3    3   29 o   65.745   0.7878  4205.74  100.541  4191.96  142.018  4219.58  142.355   65.637   1.1146   65.853   1.1136 -0.2160110 1.575609 
1 1 1   -3    3   30 f   56.764   0.7769  3137.65   85.606  3169.90  121.402  3105.75  120.730   57.055   1.0961   56.473   1.1013 0.5811653 1.553838 
1 1 1   -3    3   31 o   31.806   1.0340  988.674   63.791  1046.48   91.608  934.253   88.882   32.711   1.4427   30.901   1.4817 1.810238 2.068058 
1 1 1   -3    3   32 o   39.326   0.9361  1516.07   71.435  1545.35  100.333  1485.97  101.731   39.718   1.3014   38.935   1.3460 0.7830505 1.872246 
1 1 1   -3    3   33 o   18.551   1.7524  346.830   62.869  390.749   91.450  307.471   86.571   19.686   2.3931   17.416   2.5607 2.270460 3.504852 
1 1 1   -3    3   34 o   28.011   1.2453  782.869   67.546  852.555   96.255  715.258   94.811   29.268   1.6942   26.755   1.8256 2.513422 2.490581 
1 1 1   -3    3   35 o   21.733   1.5742  484.691   66.181  480.169   97.341  488.578   90.250   21.586   2.3230   21.879   2.1250 -0.2921810 3.148339 
1 1 1   -3    4    1 o  314.662   1.7452 96122.98  1065.76 94884.50  1488.17 97426.96  1527.02  312.583   2.4526  316.741   2.4836 -4.158081 3.490438 
1 1 1   -3    4    2 o  106.450   0.9605 10853.27  185.268 10601.51  223.535 11405.68  331.115  104.507   1.1019  108.393   1.5737 -3.886078 1.921077 
1 1 1   -3    4    3 o  247.436   1.6760 59425.11  804.907 60532.18  1150.34 58363.14  1126.65  249.693   2.3733  245.179   2.3672 4.514206 3.352072 
1 1 1   -3    4    4 o  415.354   1.8774 167321.00  1511.93 171081.30  2200.78 163960.00  2080.65  419.766   2.7009  410.941   2.6083 8.824432 3.754714 
1 1 1   -3    4    5 f  469.172   1.8006 213087.59  1595.85 216515.20  2582.21 210969.41  2029.92  472.194   2.8171  466.149   2.2433 6.044800 3.601196 
1 1 1   -3    4    6 o  313.130   1.6242 95177.73  967.668 95344.77  1528.98 95066.13  1249.82  313.347   2.5137  312.914   2.0576 0.4332275 3.248426 
1 1 1   -3    4    7 f   21.235   0.4405  439.103   18.099  466.424   25.175  409.879   26.037   21.921   0.5916   20.549   0.6527 1.371778 0.8809499 
1 1 1   -3    4    8 o  220.003   1.2562 47003.11  536.465 46831.96  756.925 47175.85  760.438  219.601   1.7756  220.405   1.7774 -0.8046722 2.512351 
1 1 1   -3    4    9 o  228.225   1.1680 50547.56  507.647 50433.73  656.726 50716.56  800.190  227.915   1.4844  228.536   1.8037 -0.6206970 2.335992 
1 1 1   -3    4   10 o   79.895   0.7240  6186.78  107.943  6161.96  135.038  6230.71  179.649   79.675   0.8731   80.115   1.1552 -0.4404373 1.448008 
1 1 1   -3    4   11 o  204.198   1.1467 40378.90  444.360 40010.22  569.919 40950.52  709.652  203.016   1.4462  205.379   1.7800 -2.362671 2.293437 
1 1 1   -3    4   12 o  419.513   1.5242 170975.91  1230.01 171696.50  1635.17 170036.70  1866.73  420.540   2.0030  418.486   2.2979 2.054504 3.048377 
1 1 1   -3    4   13 f  190.871   1.1488 35321.98  415.275 35164.01  531.216 35570.23  665.931  190.327   1.4378  191.416   1.7922 -1.088562 2.297677 
1 1 1   -3    4   14 o  252.807   1.1806 61991.35  577.393 61409.88  783.226 62683.53  854.542  251.511   1.6042  254.102   1.7324 -2.590515 2.361124 
1 1 1   -3    4   15 o   95.911   0.7361  8929.11  137.037  8857.39  193.433  9001.37  194.167   95.524   1.0432   96.298   1.0387 -0.7733002 1.472110 
1 1 1   -3    4   16 o  168.026   1.0129 27405.03  330.367 27832.31  469.674 26986.60  464.785  169.322   1.4290  166.730   1.4361 2.592529 2.025877 
1 1 1   -3    4   17 o  282.103   1.2226 77261.77  669.475 76338.87  939.771 78212.75  953.951  280.393   1.7266  283.813   1.7315 -3.420227 2.445258 
1 1 1   -3    4   18 o   91.545   0.7445  8135.78  132.300  8149.27  187.133  8122.31  187.068   91.621   1.0522   91.469   1.0536 0.1517105 1.488991 
1 1 1   -3    4   19 o  127.658   0.9200 15823.88  227.975 15891.31  322.100 15756.20  322.711  127.931   1.2970  127.386   1.3051 0.5453491 1.839957 
1 1 1   -3    4   20 o  112.776   0.8491 12348.41  185.870 12214.05  261.319 12485.98  264.428  112.155   1.2003  113.396   1.2013 -1.241585 1.698166 
1 1 1   -3    4   21 o  125.692   0.9845 15345.09  240.178 15419.93  343.034 15273.13  336.391  125.992   1.4026  125.393   1.3820 0.5996704 1.969047 
1 1 1   -3    4   22 o   95.550   0.8016  8861.13  148.607  9035.91  214.403  8699.52  206.164   96.456   1.1451   94.645   1.1222 1.811256 1.603260 
1 1 1   -3    4   23 o   65.843   0.6837  4209.68   87.387  4157.50  122.816  4263.19  124.367   65.430   0.9670   66.256   0.9670 -0.8264923 1.367499 
1 1 1   -3    4   24 o  132.919   0.9786 17169.20  252.502 17151.77  356.997 17186.64  357.187  132.851   1.3843  132.986   1.3836 -0.1350555 1.957241 
1 1 1   -3    4   25 o   70.603   0.7474  4842.02  102.429  4867.76  145.954  4817.04  143.783   70.788   1.0622   70.419   1.0519 0.3691330 1.494853 
1 1 1   -3    4   26 o   68.547   0.7689  4565.79  102.309  4533.72  145.184  4597.43  144.195   68.308   1.0949   68.787   1.0799 -0.4793167 1.537861 
1 1 1   -3    4   27 o   45.156   0.7920  1981.75   69.418  1969.43   97.774  1994.28   98.573   45.014   1.1189   45.297   1.1210 -0.2830429 1.583912 
1 1 1   -3    4   28 o   48.392   0.8036  2275.72   75.458  2369.13  107.935  2186.42  105.534   49.363   1.1264   47.420   1.1465 1.943092 1.607220 
1 1 1   -3    4   29 o   46.848   0.8255  2136.12   75.072  2122.32  106.101  2149.95  106.234   46.696   1.1705   47.000   1.1644 -0.3036461 1.651026 
1 1 1   -3    4   30 o   44.997   0.8259  1972.75   72.129  1961.84  102.656  1983.39  101.368   44.872   1.1785   45.121   1.1573 -0.2488251 1.651763 
1 1 1   -3    4   31 o   35.379   0.9592  1223.57   65.856  1194.93   93.491  1251.77   92.783   34.965   1.3774   35.794   1.3353 -0.8294868 1.918448 
1 1 1   -3    4   32 o   27.082   1.2380  724.876   65.002  755.475   91.142  693.200   92.733   27.679   1.6963   26.486   1.8036 1.192539 2.476022 
1 1 1   -3    4   33 o   9.6642   2.4782   83.021   61.339  117.954   87.142   48.715   86.356   10.709   3.5737   8.6193   3.4343 2.089758 4.956411 
1 1 1   -3    4   34 o   13.757   2.3981  210.339   64.258  249.678   90.645  170.600   91.104   15.137   3.1857   12.376   3.5852 2.760961 4.796103 
1 1 1   -3    4   35 f   16.379   2.1283  295.990   65.186  242.726   95.154  343.092   89.482   14.619   3.4147   18.138   2.5414 -3.518585 4.256679 
1 1 1   -3    5    1 o  584.184   3.0003 331600.00  3401.49 334356.59  4875.29 328985.41  4748.11  586.542   4.2819  581.826   4.2040 4.716370 6.000681 
1 1 1   -3    5    2 o  370.103   1.8184 132986.80  1306.18 132171.30  1829.26 133835.09  1865.70  368.947   2.5542  371.260   2.5888 -2.312927 3.636703 
1 1 1   -3    5    3 o  315.923   1.7515 96899.30  1074.09 97363.15  1523.43 96440.82  1514.60  316.675   2.4782  315.172   2.4756 1.503418 3.502914 
1 1 1   -3    5    4 o   15.243   1.7174  256.308   13.920  203.660   92.659  257.523   14.080   14.198   3.4058   16.289   0.4453 -2.091079 3.434766 
1 1 1   -3    5    5 o  261.103   1.5686 66320.44  780.204 65512.19  1223.92 66873.70  1012.62  259.752   2.4273  262.454   1.9876 -2.702118 3.137273 
1 1 1   -3    5    6 o  165.623   1.1367 26629.83  365.463 26816.83  517.330 26443.54  516.358  166.204   1.6035  165.043   1.6117 1.161011 2.273490 
1 1 1   -3    5    7 o   60.397   0.6675  3539.46   78.246  3632.66  111.966  3450.50  109.392   61.174   0.9429   59.621   0.9452 1.553513 1.335070 
1 1 1   -3    5    8 o  138.070   1.0725 18509.53  287.432 18417.11  405.056 18603.28  407.941  137.723   1.5151  138.417   1.5182 -0.6942291 2.144907 
1 1 1   -3    5    9 o   63.340   0.6222  3873.95   72.799  3828.85   89.790  3960.48  124.368   62.806   0.7365   63.874   1.0030 -1.068363 1.244384 
1 1 1   -3    5   10 o   90.342   0.8976  7922.39  157.042  7913.40  214.879  7932.71  230.083   90.287   1.2260   90.396   1.3112 -0.1089783 1.795106 
1 1 1   -3    5   11 o   80.255   0.7409  6301.08  111.143  6440.49  140.293  6066.12  182.133   81.457   0.8872   79.052   1.1869 2.404831 1.481858 
1 1 1   -3    5   12 o  323.290   1.3310 101556.60  823.053 102005.60  1076.97 100926.10  1276.16  324.156   1.7115  322.424   2.0390 1.732208 2.662096 
1 1 1   -3    5   13 o  216.810   1.1921 45661.37  491.814 45775.41  635.908 45491.62  775.836  217.152   1.5086  216.469   1.8463 0.6828613 2.384265 
1 1 1   -3    5   14 o  177.898   1.2372 30804.92  402.490 30966.43  493.224 30483.00  696.350  178.605   1.4226  177.191   2.0245 1.414154 2.474366 
1 1 1   -3    5   15 o  128.916   1.0006 16014.02  241.256 15698.88  301.600 16573.95  402.023  127.171   1.2217  130.661   1.5850 -3.490044 2.001254 
1 1 1   -3    5   16 o   98.294   0.7683  9378.92  146.594  9344.23  207.985  9413.17  206.652   98.113   1.0920   98.475   1.0811 -0.3613815 1.536633 
1 1 1   -3    5   17 o  160.338   0.9876 24957.11  307.361 25149.18  437.092 24769.24  432.295  160.948   1.3990  159.728   1.3942 1.220230 1.975125 
1 1 1   -3    5   18 o   96.595   0.7621  9057.60  142.893  9161.06  203.049  8956.09  201.126   97.141   1.0768   96.048   1.0787 1.092880 1.524189 
1 1 1   -3    5   19 o  220.765   1.1426 47331.80  489.644 47053.88  690.588 47612.75  694.351  220.113   1.6162  221.417   1.6155 -1.303391 2.285180 
1 1 1   -3    5   20 o  167.165   1.0451 27140.88  339.146 27139.72  480.141 27142.02  479.111  167.162   1.4797  167.169   1.4764 -0.7324219E-02 2.090289 
1 1 1   -3    5   21 o  133.723   0.9595 17371.18  248.715 17338.35  361.377 17400.72  342.829  133.600   1.3934  133.846   1.3195 -0.2457733 1.919042 
1 1 1   -3    5   22 o   57.777   0.6705  3241.40   75.199  3236.25  105.886  3246.63  106.816   57.731   0.9449   57.823   0.9516 -0.9232330E-01 1.341027 
1 1 1   -3    5   23 o  102.139   0.8393 10136.96  166.370 10323.89  234.066  9946.09  236.517  103.092   1.1696  101.186   1.2041 1.906380 1.678691 
1 1 1   -3    5   24 o  122.117   0.9875 14493.15  233.955 14510.08  325.629 14475.08  336.357  122.193   1.3728  122.041   1.4198 0.1527252 1.974960 
1 1 1   -3    5   25 o   30.041   0.9858  876.040   57.446  918.929   82.961  836.534   79.622   30.747   1.3900   29.336   1.3982 1.411055 1.971562 
1 1 1   -3    5   26 o  131.295   1.0762 16766.62  274.279 16868.43  389.060 16666.02  386.728  131.691   1.5219  130.899   1.5220 0.7925262 2.152363 
1 1 1   -3    5   27 o   43.426   0.8028  1833.26   67.659  1811.84   96.188  1854.24   95.188   43.174   1.1477   43.678   1.1227 -0.5036583 1.605514 
1 1 1   -3    5   28 o   28.960   1.1138  818.325   62.459  755.999   88.628  879.821   88.036   27.858   1.6389   30.061   1.5087 -2.203278 2.227579 
1 1 1   -3    5   29 o   50.126   0.8098  2442.65   78.748  2332.85  109.465  2560.43  113.370   48.959   1.1518   51.293   1.1386 -2.334030 1.619587 
1 1 1   -3    5   30 o   45.286   0.8330  1996.39   73.188  2082.06  105.287  1916.29  101.806   46.226   1.1733   44.347   1.1826 1.879784 1.665930 
1 1 1   -3    5   31 o   12.816   2.3319  171.574   59.859  225.650   85.191  118.841   84.126   14.733   3.0781   10.899   3.5037 3.833427 4.663754 
1 1 1   -3    5   32 o   30.515   1.1175  915.318   66.140  864.210   91.869  970.311   95.297   29.627   1.5974   31.403   1.5633 -1.775465 2.235093 
1 1 1   -3    5   33 o   10.481   2.1847   92.294   61.313 -50.7936   89.566  218.481   84.110   6.6757   3.0589   14.287   3.1202 -7.611441 4.369465 
1 1 1   -3    5   34 o   36.026   0.9845  1277.04   68.658  1340.57  101.734  1223.89   93.042   36.832   1.4229   35.219   1.3609 1.612617 1.968955 
1 1 1   -3    5   35 o   21.867   2.2069  523.977   82.408  530.817   98.808  508.348  149.361   22.732   2.2392   21.002   3.8037 1.729759 4.413886 
1 1 1   -3    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3    6    2 o  141.739   1.3721 19502.38  377.519 19661.06  535.500 19345.58  532.298  142.312   1.9384  141.166   1.9425 1.146454 2.744234 
1 1 1   -3    6    3 f  287.715   2.4450 80392.13  1365.47 80472.00  1920.96 80310.55  1941.33  287.860   3.4377  287.569   3.4777 0.2908020 4.890028 
1 1 1   -3    6    4 o  134.117   1.4834 17455.49  378.757 17499.11  597.471 17426.18  489.738  134.254   2.2926  133.980   1.8830 0.2736359 2.966778 
1 1 1   -3    6    5 o  325.085   1.4580 102589.00  919.968 101737.40  1289.42 103472.00  1312.96  323.712   2.0520  326.459   2.0719 -2.747040 2.916017 
1 1 1   -3    6    6 f  189.900   1.1840 35009.64  436.460 34918.75  615.557 35101.53  618.951  189.652   1.6720  190.148   1.6769 -0.4955750 2.368039 
1 1 1   -3    6    7 o   78.530   0.7854  5983.31  119.690  6120.52  171.976  5854.42  166.683   79.403   1.1158   77.658   1.1057 1.745117 1.570831 
1 1 1   -3    6    8 o  198.609   1.2223 38304.74  471.246 38313.40  665.191 38296.02  667.701  198.631   1.7252  198.586   1.7321 0.4545593E-01 2.444656 
1 1 1   -3    6    9 o  190.010   1.2144 35056.23  447.921 34940.63  631.341 35173.40  635.592  189.695   1.7145  190.326   1.7203 -0.6305542 2.428821 
1 1 1   -3    6   10 o  220.323   1.1675 47106.29  489.196 47018.75  631.120 47238.04  774.276  220.073   1.4773  220.573   1.8083 -0.4997253 2.335079 
1 1 1   -3    6   11 o  110.205   0.8818 11784.00  182.192 11768.88  229.549 11809.75  299.504  110.111   1.0739  110.299   1.3988 -0.1876678 1.763542 
1 1 1   -3    6   12 o  298.122   1.2975 86245.13  738.195 86084.44  959.471 86478.22  1155.61  297.788   1.6598  298.457   1.9946 -0.6688538 2.594907 
1 1 1   -3    6   13 o  163.231   1.0684 25765.97  329.348 25445.25  418.449 26288.09  533.905  161.904   1.3314  164.557   1.6714 -2.653458 2.136890 
1 1 1   -3    6   14 f  224.716   1.2213 49025.84  521.739 49034.34  672.998 49013.04  825.980  224.746   1.5426  224.686   1.8938 0.5957031E-01 2.442546 
1 1 1   -3    6   15 o  245.248   1.2757 58564.03  596.559 59315.91  776.752 57482.71  931.497  247.180   1.6188  243.316   1.9722 3.864212 2.551490 
1 1 1   -3    6   16 o   72.643   0.7680  5141.20  103.734  5188.78  129.615  5056.43  173.013   73.113   0.9133   72.172   1.2349 0.9410477 1.535939 
1 1 1   -3    6   17 o  141.314   1.0756 19335.36  285.836 19176.32  361.113 19602.17  467.728  140.544   1.3236  142.084   1.6958 -1.540710 2.151240 
1 1 1   -3    6   18 o   55.074   0.6057  2945.20   64.708  2923.54   93.112  2965.43   89.990   54.878   0.8741   55.271   0.8388 -0.3921967 1.211401 
1 1 1   -3    6   19 o  119.755   0.8667 13922.32  201.469 14120.54  287.017 13729.78  282.868  120.595   1.2261  118.915   1.2254 1.680336 1.733449 
1 1 1   -3    6   20 o  170.543   1.0786 28269.53  356.405 27930.41  518.679 28572.89  490.561  169.569   1.5757  171.517   1.4734 -1.947830 2.157285 
1 1 1   -3    6   21 o  116.730   0.8834 13233.20  200.155 13057.66  281.927 13411.59  284.210  115.950   1.2526  117.511   1.2459 -1.561333 1.766715 
1 1 1   -3    6   22 o  122.081   0.9052 14476.56  214.515 14431.76  301.590 14522.42  305.182  121.890   1.2746  122.272   1.2858 -0.3813858 1.810499 
1 1 1   -3    6   23 o   59.968   0.6896  3492.27   80.271  3431.13  113.093  3554.34  113.952   59.439   0.9802   60.498   0.9703 -1.058151 1.379217 
1 1 1   -3    6   24 o   92.498   0.7987  8308.13  143.377  8501.47  205.051  8123.19  200.554   93.550   1.1291   91.445   1.1298 2.105042 1.597325 
1 1 1   -3    6   25 o  145.146   1.1709 20494.14  329.524 20545.98  455.463 20437.21  477.342  145.346   1.6143  144.946   1.6965 0.4005890 2.341822 
1 1 1   -3    6   26 o   99.430   0.9148  9607.81  176.525  9729.67  252.652  9491.58  246.742  100.045   1.3010   98.815   1.2863 1.229927 1.829529 
1 1 1   -3    6   27 o   26.417   1.1494  680.885   58.793  634.735   83.920  725.369   82.392   25.532   1.6932   27.301   1.5547 -1.768892 2.298707 
1 1 1   -3    6   28 o   86.275   0.8649  7238.38  144.822  7291.45  207.009  7187.51  202.677   86.583   1.2317   85.966   1.2145 0.6168213 1.729767 
1 1 1   -3    6   29 o   38.224   0.9156  1421.63   67.870  1337.31   94.506  1511.43   97.530   37.052   1.3139   39.395   1.2754 -2.342468 1.831114 
1 1 1   -3    6   30 o   60.579   0.7796  3574.62   91.668  3540.25  130.279  3608.33  129.006   60.288   1.1132   60.869   1.0918 -0.5810242 1.559256 
1 1 1   -3    6   31 o   9.5951   2.2297   63.222   57.040  165.087   82.219 -31.3009   79.200   12.553   3.3223   6.6372   2.9746 5.915774 4.459323 
1 1 1   -3    6   32 o   47.109   0.8108  2173.53   74.024  2053.28  105.477  2290.24  103.912   45.810   1.1861   48.407   1.1058 -2.596622 1.621659 
1 1 1   -3    6   33 o   34.492   1.3033  1156.85   80.735  1116.87   96.546  1249.83  147.229   33.666   1.4773   35.318   2.1475 -1.652737 2.606561 
1 1 1   -3    6   34 f   31.920   1.5225  1087.46   83.722  1173.30  100.548  893.399  151.180   34.418   1.5050   29.422   2.6470 4.996214 3.044941 
1 1 1   -3    6   35 o   9.6660   2.7339   75.943   81.589  124.347   97.989 -33.4623  147.318   10.673   3.7802   8.6585   3.9506 2.014940 5.467831 
1 1 1   -3    7    1 o  346.890   1.4667 116786.20  987.339 115527.60  1377.55 118115.80  1415.86  344.969   2.0571  348.811   2.0911 -3.841705 2.933301 
1 1 1   -3    7    2 o  247.557   2.1483 59561.51  1006.04 59269.11  1613.54 59747.48  1286.79  247.047   3.3646  248.066   2.6722 -1.019745 4.296678 
1 1 1   -3    7    3 o  263.841   2.4246 67603.95  1241.65 67508.58  1743.39 67702.13  1768.79  263.653   3.4064  264.029   3.4511 -0.3756409 4.849105 
1 1 1   -3    7    4 o  204.425   1.5236 40568.38  592.548 40592.47  936.252 40552.28  765.330  204.470   2.3588  204.380   1.9291 0.8940125E-01 3.047191 
1 1 1   -3    7    5 o  219.842   1.3791 46915.98  588.496 46396.80  826.250 47450.56  838.401  218.608   1.9471  221.076   1.9536 -2.468353 2.758222 
1 1 1   -3    7    6 o  125.967   1.0158 15403.60  248.371 15551.95  352.595 15257.49  349.919  126.569   1.4351  125.365   1.4379 1.204025 2.031513 
1 1 1   -3    7    7 o   20.593   0.4240  410.261   16.917  389.089   23.088  434.810   24.860   20.021   0.5940   21.165   0.6051 -1.143633 0.8479584 
1 1 1   -3    7    8 o   51.417   0.6065  2564.66   60.513  2497.20   84.317  2636.32   86.898   50.720   0.8564   52.114   0.8590 -1.393665 1.212958 
1 1 1   -3    7    9 o  219.986   1.2616 46990.17  538.734 46732.95  758.490 47252.05  765.325  219.379   1.7811  220.594   1.7873 -1.214676 2.523222 
1 1 1   -3    7   10 o  333.921   1.4009 108328.30  891.454 108595.60  1156.30 107936.50  1399.70  334.441   1.7811  333.400   2.1627 1.041473 2.801737 
1 1 1   -3    7   11 o  239.677   1.2088 55806.70  552.458 55977.48  717.608 55558.17  865.635  240.133   1.5395  239.222   1.8641 0.9107819 2.417607 
1 1 1   -3    7   12 o  215.015   1.1839 44839.27  483.701 44683.20  622.799 45076.52  767.872  214.548   1.4954  215.482   1.8357 -0.9344788 2.367740 
1 1 1   -3    7   13 o  280.171   1.2902 76157.01  689.442 75944.58  894.698 76467.55  1081.76  279.697   1.6479  280.645   1.9857 -0.9485779 2.580383 
1 1 1   -3    7   14 o  134.648   1.0043 17618.79  254.774 17679.60  323.742 17519.87  412.928  134.956   1.2358  134.340   1.5834 0.6162872 2.008598 
1 1 1   -3    7   15 o  332.368   1.3810 107370.70  878.046 107926.90  1149.65 106592.10  1360.23  333.412   1.7763  331.323   2.1149 2.089264 2.761924 
1 1 1   -3    7   16 o  145.043   1.0854 20384.17  295.531 20268.35  372.610 20580.58  485.237  144.494   1.3284  145.593   1.7169 -1.099121 2.170838 
1 1 1   -3    7   17 o  102.310   0.9256 10218.93  177.306 10382.91  223.970  9943.62  290.201  103.420   1.1156  101.201   1.4772 2.218323 1.851177 
1 1 1   -3    7   18 o  146.028   1.1045 20642.49  303.341 20445.88  383.196 20972.48  496.441  145.110   1.3604  146.947   1.7404 -1.837631 2.208959 
1 1 1   -3    7   19 o  118.458   1.0065 13624.29  223.506 13618.94  281.605 13633.39  367.412  118.434   1.2249  118.482   1.5975 -0.4806519E-01 2.013031 
1 1 1   -3    7   20 o  129.358   1.1572 16164.62  277.096 16557.22  471.468 15957.45  342.492  130.534   1.8606  128.182   1.3764 2.352524 2.314427 
1 1 1   -3    7   21 o  126.217   0.9321 15473.20  228.366 15519.15  324.427 15428.07  321.509  126.402   1.3222  126.031   1.3142 0.3708878 1.864202 
1 1 1   -3    7   22 o  149.993   1.0741 21859.71  312.738 22005.05  444.319 21716.99  440.265  150.487   1.5210  149.499   1.5171 0.9877930 2.148261 
1 1 1   -3    7   23 o  101.755   0.8315 10057.38  164.231 10124.99  233.528  9991.21  231.008  102.093   1.1784  101.417   1.1734 0.6763611 1.662959 
1 1 1   -3    7   24 o   91.607   0.8086  8152.85  143.766  8115.22  205.109  8189.19  201.568   91.398   1.1561   91.816   1.1309 -0.4173965 1.617253 
1 1 1   -3    7   25 o   62.129   0.7405  3747.06   89.271  3842.62  128.490  3657.89  124.121   62.893   1.0524   61.364   1.0420 1.529819 1.481013 
1 1 1   -3    7   26 o   85.802   0.8230  7153.10  137.057  7237.51  195.605  7071.68  192.100   86.298   1.1676   85.305   1.1601 0.9936600 1.645959 
1 1 1   -3    7   27 o   54.797   0.7596  2913.74   80.711  3009.74  117.505  2827.99  111.053   55.649   1.0878   53.945   1.0605 1.704639 1.519182 
1 1 1   -3    7   28 o   52.876   0.7866  2722.32   80.622  2612.75  115.598  2826.09  112.498   51.835   1.1488   53.916   1.0749 -2.081055 1.573272 
1 1 1   -3    7   29 o   55.498   0.7634  2995.61   82.183  3028.18  118.778  2965.70  113.829   55.785   1.0969   55.211   1.0621 0.5741272 1.526803 
1 1 1   -3    7   30 f   27.668   1.1404  755.505   60.617  686.024   89.722  813.851   82.220   26.469   1.7462   28.867   1.4673 -2.398052 2.280847 
1 1 1   -3    7   31 o   14.805   2.5577  231.618   69.461  233.578   84.129  227.419  123.116   15.007   2.9929   14.602   4.1485 0.4046383 5.115393 
1 1 1   -3    7   32 o   19.605   2.1237  418.530   71.083  456.485   86.912  341.845  123.538   21.415   2.0907   17.795   3.6971 3.619907 4.247351 
1 1 1   -3    7   33 o   34.670   1.3422  1240.07   81.439  1306.66   97.850  1089.96  146.911   36.444   1.3832   32.896   2.3006 3.547516 2.684389 
1 1 1   -3    7   34 o   23.862   1.9371  594.633   79.743  600.538   94.036  579.517  150.462   24.440   1.9821   23.285   3.3288 1.154602 3.874214 
1 1 1   -3    7   35 o   13.042   2.9370  208.025   82.095  223.402   97.169  169.673  153.456   13.892   3.5806   12.191   4.6566 1.701361 5.874053 
1 1 1   -3    8    1 o  358.533   1.6560 124707.70  1127.41 124363.50  1449.90 125234.10  1792.99  357.917   2.0868  359.148   2.5718 -1.230835 3.311967 
1 1 1   -3    8    2 o  116.814   1.2041 13246.06  273.048 13234.11  385.846 13258.05  386.451  116.761   1.7024  116.867   1.7035 -0.1055222 2.408296 
1 1 1   -3    8    3 o  260.386   2.4327 65846.27  1229.43 65521.65  1721.24 66184.37  1756.64  259.732   3.4139  261.040   3.4667 -1.307465 4.865431 
1 1 1   -3    8    4 o   62.030   0.6580  3734.76   79.226  3740.35  112.163  3729.20  111.923   62.076   0.9308   61.984   0.9302 0.9258652E-01 1.315932 
1 1 1   -3    8    5 o  150.587   1.1057 22013.02  323.197 21912.37  455.214 22115.31  458.948  150.240   1.5609  150.934   1.5664 -0.6940002 2.211344 
1 1 1   -3    8    6 o  142.113   1.0887 19607.85  300.338 19601.69  423.739 19614.07  425.753  142.090   1.5363  142.135   1.5431 -0.4469299E-01 2.177447 
1 1 1   -3    8    7 o  218.035   1.3392 46235.39  563.053 46763.48  756.499 45579.53  843.071  219.441   1.7759  216.628   2.0049 2.811966 2.678318 
1 1 1   -3    8    8 o  125.481   1.0287 15283.41  250.527 15674.33  357.186 14904.89  351.480  127.060   1.4482  123.902   1.4614 3.158226 2.057374 
1 1 1   -3    8    9 o  129.743   1.0500 16343.28  264.444 16431.96  374.066 16254.69  373.897  130.095   1.4812  129.391   1.4886 0.7038422 2.100002 
1 1 1   -3    8   10 o  159.374   1.0471 24619.84  315.853 24487.67  403.561 24828.81  507.441  158.826   1.3089  159.922   1.6346 -1.095444 2.094107 
1 1 1   -3    8   11 o  266.732   1.2493 69099.12  635.952 69235.69  827.320 68901.88  994.263  267.060   1.5959  266.405   1.9226 0.6552124 2.498659 
1 1 1   -3    8   12 o  244.798   1.2268 58263.91  572.471 58652.88  743.822 57698.75  896.609  245.806   1.5589  243.790   1.8946 2.016571 2.453502 
1 1 1   -3    8   13 o  256.034   1.2587 63697.91  614.399 63947.18  797.935 63334.89  962.917  256.656   1.6016  255.412   1.9421 1.243423 2.517345 
1 1 1   -3    8   14 o  267.329   1.2920 69396.24  658.529 69461.05  854.668 69301.55  1033.10  267.489   1.6460  267.168   1.9920 0.3207397 2.584065 
1 1 1   -3    8   15 o  136.772   1.0540 18118.49  270.838 17995.86  341.831 18325.29  443.917  136.155   1.2933  137.388   1.6645 -1.233368 2.107916 
1 1 1   -3    8   16 o  111.085   0.9655 11987.57  201.047 12010.19  253.448 11949.18  330.181  111.230   1.1738  110.941   1.5332 0.2892303 1.930938 
1 1 1   -3    8   17 o   48.831   1.8831  2553.13   84.132  2587.95   87.054  2060.51  327.438   51.634   0.8685   46.029   3.6647 5.605385 3.766207 
1 1 1   -3    8   18 o  167.832   1.1689 27380.95  370.228 27461.98  471.685 27250.92  597.512  168.169   1.4449  167.496   1.8377 0.6721497 2.337722 
1 1 1   -3    8   19 o  174.014   1.2306 29372.07  409.451 29184.59  533.903 29639.80  638.010  173.352   1.5866  174.677   1.8816 -1.325302 2.461243 
1 1 1   -3    8   20 o   38.306   0.8113  1412.57   57.667  1384.12   71.360  1466.11   97.904   37.757   0.9736   38.854   1.2981 -1.097202 1.622633 
1 1 1   -3    8   21 o   74.327   0.8363  5353.87  115.000  5327.86  142.326  5402.78  195.189   74.074   0.9898   74.580   1.3482 -0.5055618 1.672571 
1 1 1   -3    8   22 o  203.721   1.4655 40183.49  557.172 39710.42  695.850 41028.65  930.083  202.115   1.7736  205.327   2.3335 -3.211487 2.931022 
1 1 1   -3    8   23 o   65.693   0.8625  4204.34  104.471  4230.71  129.168  4154.47  177.647   66.002   1.0082   65.385   1.3996 0.6161728 1.724922 
1 1 1   -3    8   24 o   76.109   0.9147  5623.21  128.665  5610.88  159.160  5646.48  218.581   76.002   1.0788   76.216   1.4774 -0.2143326 1.829355 
1 1 1   -3    8   25 o  114.012   1.1297 12687.48  241.110 12815.92  304.025 12469.79  395.819  114.824   1.3640  113.200   1.8013 1.624229 2.259462 
1 1 1   -3    8   26 o   25.432   1.4197  620.990   67.182  599.299   83.159  661.749  113.994   24.814   1.7264   26.049   2.2544 -1.235231 2.839478 
1 1 1   -3    8   27 o   30.888   1.2953  945.611   72.161  975.044   87.945  884.960  126.244   31.659   1.4310   30.116   2.1594 1.542240 2.590573 
1 1 1   -3    8   28 o   63.783   0.9502  3938.49  111.689  3894.57  137.423  4023.94  191.699   63.287   1.1186   64.278   1.5364 -0.9907990 1.900438 
1 1 1   -3    8   29 o   60.899   0.9480  3559.82  105.799  3455.62  128.881  3775.13  185.265   59.589   1.1142   62.209   1.5342 -2.619911 1.896071 
1 1 1   -3    8   30 o   36.318   1.1868  1337.95   78.221  1441.18   97.222  1148.48  131.716   38.437   1.3030   34.199   1.9841 4.237427 2.373679 
1 1 1   -3    8   31 o   33.208   1.2546  1081.15   75.601  1075.97   91.799  1092.07  133.277   33.158   1.4262   33.257   2.0645 -0.9815598E-01 2.509200 
1 1 1   -3    8   32 o   32.435   1.3154  1061.21   76.107  1093.30   92.015  991.729  135.412   33.362   1.4208   31.507   2.2140 1.854473 2.630716 
1 1 1   -3    8   33 o   27.797   1.5542  758.276   78.311  727.163   94.300  827.407  140.566   27.057   1.7954   28.538   2.5374 -1.481272 3.108389 
1 1 1   -3    8   34 o   17.696   2.6043  324.816   78.904  298.038   91.570  402.034  155.494   16.926   2.7871   18.467   4.4002 -1.541550 5.208595 
1 1 1   -3    8   35 o   7.5997   2.5039 -109.2024   81.225 -174.4112   96.848   45.438  149.142   5.3930   2.6517   9.8065   4.2480 -4.413475 5.007729 
1 1 1   -3    9    1 o  402.363   1.5275 157161.50  1192.96 158298.59  1699.13 156056.09  1675.31  403.798   2.1677  400.928   2.1526 2.869598 3.054925 
1 1 1   -3    9    2 o  219.951   2.6481 46992.45  1130.60 46696.09  1591.47 47294.43  1606.46  219.251   3.7393  220.651   3.7506 -1.399658 5.296153 
1 1 1   -3    9    3 o  120.329   1.2542 14049.32  292.886 14365.61  420.030 13749.99  408.613  121.646   1.7788  119.011   1.7687 2.634857 2.508458 
1 1 1   -3    9    4 o  113.538   1.0349 12462.48  226.662 12080.62  302.054 12954.65  342.918  111.557   1.3948  115.520   1.5292 -3.963387 2.069800 
1 1 1   -3    9    5 o  136.028   1.0739 17960.07  283.553 17677.44  397.979 18251.46  404.099  134.941   1.5193  137.115   1.5182 -2.173431 2.147880 
1 1 1   -3    9    6 o  184.027   1.2825 32836.84  452.068 32586.41  591.897 33187.45  700.338  183.193   1.6645  184.861   1.9516 -1.667175 2.565011 
1 1 1   -3    9    7 o  137.083   1.0735 18243.87  285.626 17949.42  401.514 18545.54  406.403  135.963   1.5213  138.202   1.5149 -2.239532 2.146905 
1 1 1   -3    9    8 o   59.908   0.6691  3483.98   77.811  3516.42  110.013  3451.50  110.070   60.187   0.9416   59.629   0.9509 0.5581970 1.338244 
1 1 1   -3    9    9 o  131.807   1.0511 16866.95  268.920 17061.09  380.763 16673.73  379.859  132.564   1.4797  131.050   1.4932 1.513885 2.102161 
1 1 1   -3    9   10 o  203.962   1.2414 40387.61  491.509 40411.51  693.480 40363.50  696.728  204.023   1.7510  203.901   1.7603 0.1215057 2.482862 
1 1 1   -3    9   11 o  284.020   1.2746 78378.02  691.610 78691.33  902.458 77932.15  1076.59  284.713   1.6329  283.326   1.9575 1.387604 2.549126 
1 1 1   -3    9   12 o  357.212   1.4608 123660.80  991.696 122807.20  1276.15 124962.00  1575.68  355.669   1.8484  358.755   2.2626 -3.086639 2.921603 
1 1 1   -3    9   13 o  147.962   1.0442 21339.14  292.134 21644.78  374.456 20863.81  466.978  149.324   1.2918  146.600   1.6410 2.724457 2.088434 
1 1 1   -3    9   14 o  202.240   1.1835 39661.89  454.143 39494.98  582.985 39919.52  724.276  201.704   1.4889  202.775   1.8400 -1.071533 2.366992 
1 1 1   -3    9   15 o  223.205   1.2367 48370.64  524.818 48376.41  677.088 48361.97  830.638  223.228   1.5625  223.182   1.9173 0.4629517E-01 2.473363 
1 1 1   -3    9   16 o   74.627   0.7877  5384.60  109.526  5330.09  136.540  5482.98  183.422   74.101   0.9492   75.153   1.2573 -1.052109 1.575383 
1 1 1   -3    9   17 o  229.589   1.2870 51332.61  562.398 51941.00  729.383 50440.54  883.215  231.284   1.6246  227.894   1.9965 3.389740 2.573965 
1 1 1   -3    9   18 o  142.315   1.1112 19720.16  297.532 19878.96  377.708 19460.52  482.988  143.082   1.3599  141.548   1.7578 1.534470 2.222425 
1 1 1   -3    9   19 o   44.634   0.7491  1922.98   62.482  1893.80   78.109  1974.85  104.122   44.168   0.9110   45.100   1.1893 -0.9320831 1.498162 
1 1 1   -3    9   20 o   77.608   0.8408  5841.89  120.524  5826.11  148.965  5871.78  205.076   77.463   0.9907   77.754   1.3587 -0.2908173 1.681515 
1 1 1   -3    9   21 o   17.751   1.5270  312.285   50.240  327.780   63.258  285.813   82.682   18.364   1.7745   17.137   2.4855 1.227253 3.053918 
1 1 1   -3    9   22 o   57.888   2.0506  3431.36  107.144  3453.93  110.556  3082.67  434.619   59.640   0.9549   56.135   3.9885 3.505753 4.101256 
1 1 1   -3    9   23 o   97.104   0.9960  9116.88  177.362  9024.09  217.148  9302.84  307.410   96.384   1.1606   97.823   1.6189 -1.439156 1.991923 
1 1 1   -3    9   24 o   29.673   1.1166  846.116   62.256  818.082   78.129  894.875  103.039   29.013   1.3873   30.332   1.7500 -1.319281 2.233128 
1 1 1   -3    9   25 o   58.685   0.8935  3265.75   95.638  3119.92  115.583  3582.36  170.309   56.670   1.0507   60.701   1.4454 -4.030102 1.786906 
1 1 1   -3    9   26 o   92.690   1.0607  8369.92  181.750  8400.19  225.235  8313.41  307.719   92.961   1.2482   92.418   1.7153 0.5429535 2.121331 
1 1 1   -3    9   27 o  101.030   1.1288  9871.81  209.408  9741.00  256.556 10132.92  362.467  100.081   1.3206  101.980   1.8310 -1.899513 2.257546 
1 1 1   -3    9   28 o   44.617   1.0267  1970.99   83.825  2041.83  103.672  1837.23  142.459   45.819   1.1656   43.414   1.6904 2.405170 2.053317 
1 1 1   -3    9   29 o   26.043   1.5497  696.779   72.776  765.862   90.616  571.257  122.148   28.005   1.6669   24.081   2.6130 3.924252 3.099414 
1 1 1   -3    9   30 o   43.311   1.0215  1766.06   81.028  1644.54   97.900  2030.34  144.377   41.069   1.2280   45.553   1.6327 -4.484051 2.043002 
1 1 1   -3    9   31 o   43.245   1.0501  1835.38   83.379  1842.49  102.603  1821.55  143.072   43.434   1.2169   43.056   1.7118 0.3779678 2.100272 
1 1 1   -3    9   32 o   14.268   2.6317  218.971   69.922  216.294   84.094  224.968  125.855   14.263   3.1239   14.273   4.2361 -0.1037693E-01 5.263418 
1 1 1   -3    9   33 o   48.465   1.0707  2325.83   93.139  2338.28  112.355  2298.48  166.529   48.829   1.1854   48.100   1.7835 0.7295036 2.141501 
1 1 1   -3    9   34 o   11.785   2.9754  132.761   79.352  102.865   93.669  208.755  149.339   10.157   3.6840   13.414   4.6732 -3.257234 5.950706 
1 1 1   -3    9   35 o   24.348   1.8979  601.420   82.681  564.284   98.269  691.424  152.984   23.458   2.1581   25.238   3.1227 -1.780277 3.795837 
1 1 1   -3   10    1 o   96.636   1.7888  9271.03  180.335  9309.63  188.044  8828.95  636.312   97.934   0.9891   95.339   3.4382 2.595634 3.577696 
1 1 1   -3   10    2 o  284.009   1.5956 78370.52  860.774 78581.91  1109.20 78050.50  1364.80  284.501   2.0085  283.517   2.4799 0.9841614 3.191166 
1 1 1   -3   10    3 o  367.541   2.6077 131243.41  1860.24 131225.80  2608.65 131261.70  2653.49  367.519   3.6565  367.563   3.7189 -0.4409790E-01 5.215446 
1 1 1   -3   10    4 o  152.710   1.2202 22758.87  349.615 23114.64  442.868 22170.44  569.557  154.307   1.4785  151.112   1.9417 3.194656 2.440494 
1 1 1   -3   10    5 o  215.971   1.3855 45279.26  580.777 44543.38  812.338 46048.70  830.653  214.176   1.9539  217.765   1.9650 -3.588318 2.771097 
1 1 1   -3   10    6 o  120.157   1.0127 14018.11  236.207 14074.38  333.716 13961.63  334.379  120.399   1.4279  119.915   1.4365 0.4834747 2.025412 
1 1 1   -3   10    7 o  107.986   1.0077 11327.29  210.456 11256.06  310.817 11387.58  285.990  107.671   1.4871  108.301   1.3604 -0.6303940 2.015456 
1 1 1   -3   10    8 o  269.256   1.3900 70486.38  723.946 71417.65  986.710 69400.55  1065.45  271.191   1.8743  267.321   2.0532 3.870605 2.780081 
1 1 1   -3   10    9 o  207.023   1.2490 41609.28  501.922 41288.32  705.565 41938.12  714.164  206.215   1.7626  207.831   1.7702 -1.616089 2.498063 
1 1 1   -3   10   10 o   95.889   0.9149  8921.48  170.267  8728.39  237.793  9124.65  243.911   94.824   1.2919   96.953   1.2960 -2.128525 1.829892 
1 1 1   -3   10   11 o  337.146   1.3410 110411.50  864.684 110714.60  1130.81 109984.70  1341.77  337.710   1.7250  336.581   2.0536 1.128418 2.681963 
1 1 1   -3   10   12 o  305.755   1.3162 90793.57  768.515 90955.81  1001.19 90560.84  1199.07  306.095   1.6850  305.416   2.0225 0.6783447 2.632422 
1 1 1   -3   10   13 o  103.428   1.2254 10310.76  193.533 10265.10  214.975 10506.04  444.540  102.836   1.0769  104.021   2.2015 -1.184883 2.450816 
1 1 1   -3   10   14 o  291.086   1.3276 82331.94  737.794 82646.73  961.190 81880.45  1151.09  291.771   1.6971  290.400   2.0420 1.371521 2.655130 
1 1 1   -3   10   15 o  145.452   1.0725 20538.46  294.212 20538.71  374.159 20538.06  476.220  145.457   1.3251  145.447   1.6867 0.9613037E-02 2.144975 
1 1 1   -3   10   16 o  163.409   1.1324 25915.54  350.511 25879.39  448.858 25972.03  561.119  163.269   1.4163  163.549   1.7674 -0.2801361 2.264859 
1 1 1   -3   10   17 o  146.059   1.0732 20758.90  295.805 20908.39  377.226 20520.20  476.676  146.750   1.3242  145.367   1.6892 1.382370 2.146408 
1 1 1   -3   10   18 o  201.326   1.2744 39283.17  484.992 38990.90  617.930 39752.04  782.665  200.370   1.5887  202.282   1.9932 -1.911407 2.548892 
1 1 1   -3   10   19 o  105.094   1.4439 10754.53  217.961 10765.87  238.413 10696.82  537.872  105.301   1.1664  104.887   2.6417 0.4135056 2.887772 
1 1 1   -3   10   20 o  131.689   1.0780 16923.72  267.325 17171.72  340.434 16524.87  431.738  132.967   1.3189  130.410   1.7055 2.557449 2.155971 
1 1 1   -3   10   21 o   87.348   0.8977  7455.88  145.786  7571.67  182.433  7251.29  242.506   88.301   1.0643   86.394   1.4460 1.906914 1.795467 
1 1 1   -3   10   22 o   35.691   0.9389  1220.32   62.139  1181.48   76.640  1294.83  106.159   34.878   1.1320   36.504   1.4981 -1.625736 1.877708 
1 1 1   -3   10   23 o   49.589   0.8295  2391.58   76.172  2398.08   94.543  2379.54  128.593   49.692   0.9801   49.487   1.3386 0.2052002 1.659093 
1 1 1   -3   10   24 o   44.249   0.8649  1891.09   70.900  1865.30   87.696  1939.76  120.470   43.822   1.0309   44.675   1.3892 -0.8525047 1.729890 
1 1 1   -3   10   25 o   32.938   1.0710  1061.68   65.406  1077.94   81.577  1032.42  109.440   33.303   1.2619   32.573   1.7308 0.7303200 2.141999 
1 1 1   -3   10   26 o   84.908   1.0173  6913.70  157.628  6731.71  191.338  7298.10  278.079   83.222   1.1844   86.595   1.6543 -3.372467 2.034570 
1 1 1   -3   10   27 o   50.701   0.9487  2553.45   88.832  2688.53  111.492  2318.63  147.000   52.594   1.0921   48.807   1.5516 3.786686 1.897344 
1 1 1   -3   10   28 o   56.890   0.9639  3146.01  100.178  3137.45  122.412  3163.36  174.317   56.801   1.1102   56.979   1.5760 -0.1784401 1.927789 
1 1 1   -3   10   29 o   55.235   0.9555  2959.17   97.471  2927.93  120.242  3019.03  166.457   54.846   1.1294   55.624   1.5416 -0.7781830 1.911055 
1 1 1   -3   10   30 o   11.519   2.5546  134.883   71.238  201.325   88.055   9.0109  121.199   13.901   3.3106   9.1376   3.8915 4.763268 5.109203 
1 1 1   -3   10   31 o   12.439   2.6913  157.436   68.250  149.084   83.663  174.051  118.005   11.932   3.4296   12.946   4.1484 -1.013597 5.382562 
1 1 1   -3   10   32 o   56.010   0.9949  3044.42  101.237  2976.84  122.546  3189.68  179.659   55.158   1.1445   56.863   1.6276 -1.704845 1.989749 
1 1 1   -3   10   33 o   18.809   2.4791  359.373   90.517  359.373   90.517   0.0000   0.0000   18.809   2.4791  ?   ?       ?      ? 
1 1 1   -3   10   34 o   19.229   2.4072  404.111   77.546  405.533   91.148  400.383  147.553   19.920   2.3572   18.538   4.1979 1.382053 4.814433 
1 1 1   -3   10   35 o   13.315   2.8011  223.480   79.376  256.556   94.826  146.049  145.087   15.040   3.3353   11.589   4.5011 3.451347 5.602149 
1 1 1   -3   11    1 o  159.631   1.1382 24726.29  339.912 24696.16  426.959 24778.42  561.713  159.502   1.3790  159.760   1.8113 -0.2574310 2.276451 
1 1 1   -3   11    2 o  193.067   1.3485 36185.61  505.368 36643.90  718.210 35736.17  711.237  194.278   1.9044  191.857   1.9097 2.421539 2.697014 
1 1 1   -3   11    3 o  153.268   2.0287 23061.34  539.347 23371.24  635.886 22266.76  1018.20  155.147   2.1114  151.388   3.4648 3.758148 4.057436 
1 1 1   -3   11    4 o  140.419   1.1295 19162.64  306.443 18930.28  454.385 19356.49  415.034  139.635   1.6764  141.202   1.5142 -1.567184 2.258958 
1 1 1   -3   11    5 o   70.657   0.7701  4849.09  105.563  4733.43  150.628  4960.72  147.986   69.828   1.1113   71.485   1.0664 -1.657433 1.540187 
1 1 1   -3   11    6 o  187.087   1.2030 33989.54  436.891 34034.60  616.794 33944.18  618.926  187.212   1.6972  186.962   1.7054 0.2493134 2.406013 
1 1 1   -3   11    7 o  127.385   1.0438 15754.85  258.089 15989.44  365.640 15521.91  364.349  128.330   1.4678  126.440   1.4845 1.890587 2.087578 
1 1 1   -3   11    8 o  224.945   1.2702 49128.37  554.603 48695.42  777.983 49575.73  790.828  223.938   1.7897  225.952   1.8030 -2.014297 2.540445 
1 1 1   -3   11    9 o  341.572   1.5260 113284.60  1011.80 114239.70  1438.06 112348.20  1423.85  342.997   2.1598  340.146   2.1564 2.851196 3.052062 
1 1 1   -3   11   10 o  297.958   1.3827 86175.99  799.652 87644.90  1139.78 84752.12  1122.18  300.458   1.9542  295.458   1.9566 5.000122 2.765364 
1 1 1   -3   11   11 o  289.876   1.3233 81647.73  739.078 82185.52  988.641 80966.42  1112.76  290.963   1.7504  288.789   1.9850 2.174011 2.646510 
1 1 1   -3   11   12 o  244.459   1.2417 58017.42  578.241 58026.13  748.915 58004.58  909.907  244.487   1.5780  244.431   1.9177 0.5575562E-01 2.483470 
1 1 1   -3   11   13 o  160.141   1.1008 24963.09  333.302 25198.10  426.612 24594.89  533.977  161.114   1.3641  159.167   1.7282 1.947174 2.201699 
1 1 1   -3   11   14 o  293.396   1.3355 83644.20  748.715 83967.08  977.292 83185.45  1164.94  294.090   1.7119  292.701   2.0503 1.388641 2.671004 
1 1 1   -3   11   15 o  105.046   1.2934 10698.52  206.447 10689.47  229.180 10737.44  475.451  104.938   1.1251  105.153   2.3293 -0.2146606 2.586740 
1 1 1   -3   11   16 o  224.928   1.2772 49144.07  546.253 49216.85  705.156 49034.88  863.802  225.146   1.6134  224.710   1.9803 0.4362183 2.554355 
1 1 1   -3   11   17 o   71.249   0.7793  4901.51  103.422  4834.97  128.779  5022.38  173.570   70.574   0.9400   71.924   1.2432 -1.350365 1.558567 
1 1 1   -3   11   18 o  202.079   1.2519 39742.89  479.829 40037.87  617.375 39292.88  762.549  203.044   1.5664  201.113   1.9533 1.930725 2.503750 
1 1 1   -3   11   19 o  105.322   0.9671 10833.45  190.341 11005.28  239.791 10540.78  312.952  106.464   1.1603  104.179   1.5475 2.285698 1.934179 
1 1 1   -3   11   20 o  104.259   0.9856 10534.13  190.607 10476.63  236.590 10640.47  321.754  103.866   1.1734  104.652   1.5838 -0.7856064 1.971163 
1 1 1   -3   11   21 o   90.998   0.9222  8023.09  155.639  7974.95  193.132  8112.25  262.862   90.620   1.0979   91.376   1.4819 -0.7557297 1.844325 
1 1 1   -3   11   22 o  116.487   1.1312 13087.88  245.225 12843.50  304.650 13537.61  413.282  114.976   1.3650  117.998   1.8043 -3.021942 2.262448 
1 1 1   -3   11   23 o  109.446   1.0482 11736.76  215.562 12036.04  274.414 11254.49  348.348  111.303   1.2701  107.589   1.6679 3.713509 2.096458 
1 1 1   -3   11   24 o   47.246   0.8686  2197.45   76.788  2283.57   97.547  2057.12  124.511   48.487   1.0364   46.006   1.3942 2.481182 1.737230 
1 1 1   -3   11   25 o  113.461   1.1958 12458.97  249.958 12314.97  307.434 12739.79  429.333  112.543   1.4072  114.378   1.9337 -1.835609 2.391537 
1 1 1   -3   11   26 o   62.802   0.9129  3862.82  105.743  3926.68  131.143  3744.14  178.777   63.567   1.0628   62.037   1.4845 1.530373 1.825759 
1 1 1   -3   11   27 o   47.866   0.9643  2235.33   85.276  2250.39  105.685  2207.22  144.364   48.115   1.1315   47.618   1.5618 0.4970207 1.928635 
1 1 1   -3   11   28 o   55.356   0.9496  2929.01   97.688  2804.70  120.539  3166.93  166.751   53.697   1.1564   57.016   1.5066 -3.318840 1.899272 
1 1 1   -3   11   29 o   18.393   2.1011  345.493   68.901  357.389   85.456  323.393  116.478   19.072   2.3082   17.713   3.5116 1.358555 4.202279 
1 1 1   -3   11   30 o   27.929   1.5471  829.476   74.845  932.226   91.340  619.496  130.575   30.878   1.5238   24.979   2.6928 5.899017 3.094105 
1 1 1   -3   11   31 o   44.549   1.0433  1939.06   85.468  1925.66  105.067  1965.28  146.945   44.392   1.2193   44.707   1.6932 -0.3146706 2.086546 
1 1 1   -3   11   32 o   22.934   1.8454  544.713   75.191  566.367   91.023  498.189  133.421   23.871   1.9643   21.996   3.1247 1.874676 3.690858 
1 1 1   -3   11   33 f   40.188   1.1930  1625.98   86.938  1672.91  106.516  1532.34  150.470   41.234   1.3307   39.143   1.9803 2.091278 2.385903 
1 1 1   -3   11   34 o   9.0108   2.6996  -2.2945   76.796 -54.5493   91.046  126.546  142.964   6.5885   3.0425   11.433   4.4604 -4.844687 5.399256 
1 1 1   -3   11   35 o   7.7868   2.5228 -127.7948   79.779 -218.1548   94.565   95.316  148.594   4.9476   2.4652   10.626   4.4024 -5.678457 5.045652 
1 1 1   -3   12    1 o  188.803   1.2326 34640.50  437.182 34740.15  552.961 34474.36  713.994  189.172   1.5058  188.435   1.9519 0.7372437 2.465275 
1 1 1   -3   12    2 f  281.832   1.6325 77234.77  890.015 75791.99  1307.81 78479.39  1214.68  279.371   2.4116  284.293   2.2011 -4.922119 3.265014 
1 1 1   -3   12    3 o  369.588   1.8537 132653.50  1329.72 134193.91  1898.64 131170.50  1862.88  371.693   2.6314  367.484   2.6114 4.208923 3.707304 
1 1 1   -3   12    4 o  210.991   1.5842 43325.03  638.237 43728.18  832.910 42751.62  993.344  212.196   2.0221  209.786   2.4393 2.410370 3.168397 
1 1 1   -3   12    5 o  191.888   1.4180 35745.19  528.040 36792.34  756.010 34747.75  737.844  194.631   2.0010  189.145   2.0096 5.485779 2.835924 
1 1 1   -3   12    6 o   77.204   0.8382  5792.41  124.780  5734.96  187.182  5838.36  167.403   76.858   1.2546   77.550   1.1120 -0.6919556 1.676493 
1 1 1   -3   12    7 o  311.712   1.4840 94366.37  897.960 94383.27  1266.14 94349.28  1273.70  311.741   2.0923  311.683   2.1052 0.5734253E-01 2.968086 
1 1 1   -3   12    8 o  127.335   1.0441 15741.04  258.082 15619.86  363.885 15863.69  366.090  126.841   1.4779  127.828   1.4754 -0.9862366 2.088254 
1 1 1   -3   12    9 o  166.831   1.1716 27020.62  379.430 27122.61  536.548 26918.58  536.643  167.146   1.6537  166.516   1.6602 0.6300507 2.343270 
1 1 1   -3   12   10 o  485.511   1.6901 228878.00  1592.86 228870.41  2246.08 228885.70  2259.26  485.503   2.3832  485.518   2.3972 -0.1504517E-01 3.380262 
1 1 1   -3   12   11 o  183.191   1.3316 32568.38  470.203 32669.63  708.797 32488.80  628.378  183.442   1.9905  182.939   1.7695 0.5035553 2.663291 
1 1 1   -3   12   12 o  172.874   1.0930 29003.41  357.996 28973.66  458.670 29049.80  572.661  172.764   1.3677  172.984   1.7054 -0.2201538 2.186070 
1 1 1   -3   12   13 o  272.168   1.2930 72031.90  672.229 72578.66  877.677 71255.98  1045.56  273.426   1.6536  270.910   1.9882 2.516052 2.585978 
1 1 1   -3   12   14 o   37.442   0.6736  1354.41   47.356  1336.10   59.622  1385.71   77.945   37.101   0.8278   37.783   1.0627 -0.6816864 1.347132 
1 1 1   -3   12   15 o   59.663   0.7094  3444.55   79.110  3415.74   99.082  3495.20  131.393   59.321   0.8604   60.005   1.1280 -0.6843872 1.418727 
1 1 1   -3   12   16 o  137.716   1.0687 18448.72  277.167 18559.56  352.195 18268.40  449.223  138.266   1.3122  137.167   1.6871 1.099380 2.137360 
1 1 1   -3   12   17 o  117.010   1.0053 13363.16  220.490 13566.26  278.887 13024.57  360.087  118.209   1.2154  115.812   1.6017 2.396599 2.010645 
1 1 1   -3   12   18 o  130.483   1.0740 16620.19  263.017 16879.58  333.341 16192.32  428.122  131.848   1.3024  129.118   1.7081 2.730865 2.148005 
1 1 1   -3   12   19 o   71.046   0.8118  4887.53  106.731  4856.92  132.077  4945.12  181.191   70.730   0.9620   71.362   1.3080 -0.6312943 1.623648 
1 1 1   -3   12   20 o   67.428   0.7989  4452.75  100.609  4558.29  126.920  4274.31  165.035   68.518   0.9543   66.339   1.2816 2.178635 1.597814 
1 1 1   -3   12   21 o   87.221   0.9665  7381.21  154.462  7362.60  189.290  7418.30  267.216   87.070   1.1199   87.373   1.5755 -0.3030472 1.932999 
1 1 1   -3   12   22 o  136.523   1.1621 18154.27  300.758 18288.82  386.597 17948.00  478.675  137.188   1.4517  135.858   1.8151 1.329910 2.324192 
1 1 1   -3   12   23 o   77.663   0.8811  5874.23  127.581  5911.73  159.849  5808.41  211.762   78.017   1.0555   77.310   1.4111 0.7061996 1.762148 
1 1 1   -3   12   24 o  155.789   1.3437 23572.39  395.076 23423.46  502.233 23814.15  639.888  155.192   1.6671  156.386   2.1079 -1.194336 2.687451 
1 1 1   -3   12   25 o   30.045   1.2348  902.245   68.404  963.231   86.088  797.801  112.660   31.474   1.4091   28.616   2.0281 2.857862 2.469558 
1 1 1   -3   12   26 o   86.813   1.0021  7383.50  161.375  7513.89  201.512  7150.36  269.452   87.918   1.1807   85.707   1.6196 2.211357 2.004282 
1 1 1   -3   12   27 o   76.828   0.9671  5670.68  135.939  5533.57  165.513  5954.88  238.294   75.447   1.1301   78.209   1.5696 -2.762177 1.934120 
1 1 1   -3   12   28 o   63.086   0.9530  3890.86  111.047  3927.57  137.690  3822.54  187.820   63.545   1.1162   62.628   1.5449 0.9168015 1.905997 
1 1 1   -3   12   29 o   25.633   1.5086  643.891   71.229  642.229   87.815  647.089  121.785   25.628   1.7651   25.638   2.4470 -0.9859085E-02 3.017244 
1 1 1   -3   12   30 o   21.691   1.7663  480.535   70.098  516.400   87.822  417.575  116.360   22.922   1.9737   20.460   2.9298 2.462309 3.532576 
1 1 1   -3   12   31 o   23.548   1.6577  562.624   71.427  586.206   88.625  518.913  120.659   24.373   1.8732   22.722   2.7356 1.651749 3.315468 
1 1 1   -3   12   32 o   63.680   1.0105  3969.92  117.402  3939.05  143.167  4033.28  205.137   63.439   1.1626   63.921   1.6532 -0.4819794 2.021080 
1 1 1   -3   12   33 o   25.779   1.7226  683.328   79.550  697.578   96.409  652.929  140.813   26.441   1.8784   25.118   2.8880 1.323042 3.445106 
1 1 1   -3   12   34 o   17.653   2.5676  342.896   78.340  337.446   92.276  356.962  148.246   18.033   2.6360   17.272   4.4071 0.7613850 5.135281 
1 1 1   -3   13    1 o  141.861   1.2371 19527.90  340.557 19108.46  474.154 19974.84  489.452  140.288   1.7411  143.433   1.7579 -3.144653 2.474226 
1 1 1   -3   13    2 o  249.083   1.6080 60386.78  772.886 58982.10  1150.16 61543.32  1043.64  246.427   2.4044  251.739   2.1357 -5.312393 3.215925 
1 1 1   -3   13    3 o  219.323   1.4512 46717.75  617.815 46968.10  871.964 46465.37  875.490  219.914   2.0426  218.733   2.0619 1.181366 2.902358 
1 1 1   -3   13    4 f   92.846   0.8542  8427.28  149.186  8614.01  190.035  8127.35  240.842   94.199   1.0393   91.493   1.3561 2.705528 1.708492 
1 1 1   -3   13    5 o  155.161   1.1959 23360.65  357.544 23523.82  540.256 23233.48  476.930  155.638   1.7882  154.684   1.5883 0.9544220 2.391764 
1 1 1   -3   13    6 o   92.840   0.9094  8370.50  163.552  8324.06  238.763  8411.55  224.492   92.596   1.3283   93.083   1.2424 -0.4868240 1.818807 
1 1 1   -3   13    7 o  149.642   1.1124 21742.29  323.116 21957.74  456.983 21526.90  456.926  150.383   1.5654  148.900   1.5808 1.483185 2.224773 
1 1 1   -3   13    8 o  308.533   1.4978 92436.79  897.046 92981.96  1269.80 91893.66  1267.44  309.442   2.1139  307.625   2.1225 1.816833 2.995586 
1 1 1   -3   13    9 o  270.134   1.4156 70870.91  738.810 71078.86  998.185 70618.97  1098.70  270.576   1.9004  269.691   2.0987 0.8852539 2.831289 
1 1 1   -3   13   10 o  165.632   1.1895 26632.37  382.443 26739.98  539.787 26523.90  541.930  165.968   1.6755  165.296   1.6890 0.6721954 2.379016 
1 1 1   -3   13   11 o  401.966   1.6171 156857.91  1261.69 158448.20  1798.41 155316.50  1770.53  403.972   2.2934  399.960   2.2804 4.011444 3.234185 
1 1 1   -3   13   12 o  251.025   1.2562 61154.40  601.156 61064.76  779.580 61285.89  944.203  250.804   1.6013  251.247   1.9360 -0.4422607 2.512375 
1 1 1   -3   13   13 f  125.632   1.0855 15302.76  263.997 15072.57  359.034 15573.71  389.525  124.606   1.4843  126.659   1.5843 -2.052994 2.171000 
1 1 1   -3   13   14 o  178.943   1.1584 30987.48  392.196 30649.12  500.108 31527.99  632.085  177.684   1.4499  180.203   1.8070 -2.519485 2.316773 
1 1 1   -3   13   15 o  144.664   1.1011 20278.31  299.751 20158.10  379.321 20478.20  489.144  144.099   1.3561  145.229   1.7351 -1.130005 2.202127 
1 1 1   -3   13   16 o  116.941   0.9981 13238.00  218.585 13131.20  274.511 13423.03  361.334  116.302   1.2159  117.579   1.5831 -1.276558 1.996181 
1 1 1   -3   13   17 o  232.530   1.2976 52466.69  572.756 52273.37  735.952 52763.60  912.101  232.005   1.6341  233.055   2.0161 -1.050278 2.595221 
1 1 1   -3   13   18 o  133.210   1.0705 17180.14  266.486 17041.38  333.675 17424.51  442.809  132.480   1.2975  133.941   1.7031 -1.461746 2.141037 
1 1 1   -3   13   19 o   31.947   0.8973  996.076   52.984  1007.73   65.776  974.536   89.416   32.217   1.0518   31.677   1.4541 0.5399723 1.794654 
1 1 1   -3   13   20 o  139.680   1.1453 19010.65  303.345 19211.12  390.451 18705.43  481.794  140.628   1.4303  138.731   1.7890 1.896851 2.290518 
1 1 1   -3   13   21 o  112.887   1.0347 12389.37  217.915 12409.98  272.925 12353.10  361.943  113.033   1.2439  112.741   1.6538 0.2920380 2.069400 
1 1 1   -3   13   22 o   89.557   0.9427  7876.58  156.059  8078.06  194.497  7512.44  261.482   91.197   1.0987   87.917   1.5322 3.280289 1.885363 
1 1 1   -3   13   23 o   63.620   0.8472  3876.02   99.249  3760.78  121.482  4107.32  172.109   62.227   1.0057   65.013   1.3638 -2.786129 1.694475 
1 1 1   -3   13   24 o   68.749   0.8794  4540.95  111.762  4427.92  137.538  4760.66  191.753   67.516   1.0494   69.983   1.4115 -2.467644 1.758878 
1 1 1   -3   13   25 o   53.008   0.8922  2769.23   87.616  2865.27  109.753  2600.50  145.480   54.306   1.0411   51.711   1.4493 2.594448 1.784479 
1 1 1   -3   13   26 o   44.640   1.0002  1955.95   82.398  1996.53  102.375  1881.30  138.846   45.320   1.1637   43.961   1.6271 1.359306 2.000378 
1 1 1   -3   13   27 f   48.800   0.9621  2340.56   86.740  2397.22  108.010  2237.66  145.566   49.658   1.1205   47.941   1.5642 1.717255 1.924106 
1 1 1   -3   13   28 o   39.025   1.0557  1483.14   76.513  1480.64   95.212  1487.71  128.562   39.002   1.2576   39.049   1.6960 -0.4731750E-01 2.111419 
1 1 1   -3   13   29 o   12.535   2.6573  164.671   69.382  188.408   84.565  115.787  121.359   13.494   3.2641   11.575   4.1941 1.918110 5.314570 
1 1 1   -3   13   30 o   30.039   1.4116  926.558   76.692  1014.39   95.627  768.237  128.391   32.203   1.5297   27.874   2.3728 4.328983 2.823171 
1 1 1   -3   13   31 o   34.447   1.2348  1142.70   78.485  1087.83   95.979  1253.44  136.352   33.298   1.4849   35.596   1.9733 -2.298584 2.469571 
1 1 1   -3   13   32 o   12.632   2.7418  153.618   72.164  105.894   88.894  245.853  123.580   10.380   3.6061   14.884   4.1312 -4.503821 5.483686 
1 1 1   -3   13   33 o   36.852   1.3180  1402.61   86.095  1483.91  104.517  1231.02  151.848   38.797   1.3878   34.906   2.2410 3.891350 2.635921 
1 1 1   -3   13   34 o   9.4276   2.8119   46.402   78.942   38.461   91.707   69.120  155.114   8.3603   3.4607   10.495   4.4329 -2.134592 5.623812 
1 1 1   -3   14    1 o   73.880   0.8045  5298.78  115.376  5314.56  162.839  5282.88  163.495   73.990   1.1338   73.769   1.1417 0.2209320 1.609022 
1 1 1   -3   14    2 o   70.592   0.7028  4808.31   91.256  4747.60  112.002  4928.21  157.397   69.935   0.8250   71.250   1.1380 -1.314331 1.405614 
1 1 1   -3   14    3 f  150.899   1.4379 22482.45  378.003 22967.15  447.837 21281.56  704.911  153.799   1.5000  148.000   2.4536 5.798981 2.875832 
1 1 1   -3   14    4 o  192.248   1.3958 35894.16  520.817 35765.12  729.718 36028.15  743.570  191.896   1.9589  192.599   1.9889 -0.7023773 2.791598 
1 1 1   -3   14    5 o   69.641   2.0879  4800.41  239.868  4548.50  486.364  4881.38  275.734   68.386   3.6638   70.896   2.0036 -2.509804 4.175846 
1 1 1   -3   14    6 o  143.799   1.1612 20074.25  322.511 20114.04  481.067 20041.77  434.654  143.926   1.7219  143.673   1.5585 0.2532349 2.322441 
1 1 1   -3   14    7 o  212.011   1.3537 43570.41  550.915 44157.30  847.202 43140.41  725.176  213.239   2.0467  210.784   1.7723 2.455475 2.707417 
1 1 1   -3   14    8 o  246.410   1.3920 59044.15  662.287 59883.09  895.333 58030.43  984.189  248.351   1.8572  244.469   2.0739 3.881439 2.783916 
1 1 1   -3   14    9 o  245.201   1.3198 58369.70  628.189 58336.28  885.552 58403.55  891.262  245.130   1.8610  245.271   1.8719 -0.1409149 2.639622 
1 1 1   -3   14   10 o  190.238   1.2509 35133.74  461.934 35245.21  651.230 35020.87  655.336  190.542   1.7607  189.934   1.7774 0.6077271 2.501857 
1 1 1   -3   14   11 o  320.329   1.4369 99621.11  893.483 100358.50  1265.23 98887.59  1261.93  321.512   2.0272  319.147   2.0369 2.365204 2.873825 
1 1 1   -3   14   12 o  130.061   1.0748 16403.77  270.370 16221.13  366.091 16622.92  401.013  129.267   1.4589  130.856   1.5787 -1.589264 2.149605 
1 1 1   -3   14   13 o  265.922   1.2994 68767.75  659.737 69293.02  860.407 68018.27  1027.76  267.164   1.6591  264.681   2.0003 2.482666 2.598814 
1 1 1   -3   14   14 o  345.440   1.4076 115995.50  930.734 116675.80  1220.58 115050.40  1438.66  346.662   1.8138  344.217   2.1531 2.444733 2.815259 
1 1 1   -3   14   15 o  176.737   1.1719 30296.38  392.100 30187.32  501.370 30468.13  629.164  176.334   1.4647  177.139   1.8297 -0.8050842 2.343774 
1 1 1   -3   14   16 o  214.872   1.2446 44920.60  509.443 45293.77  661.242 44375.60  799.099  215.982   1.5772  213.761   1.9258 2.220749 2.489195 
1 1 1   -3   14   17 o  104.784   1.1092 10659.48  225.475 10575.06  312.710 10750.90  325.409  104.353   1.5437  105.215   1.5933 -0.8621521 2.218462 
1 1 1   -3   14   18 o   70.571   0.8025  4783.74  105.132  4664.34  130.014  5009.29  178.695   69.315   0.9663   71.827   1.2816 -2.511345 1.605067 
1 1 1   -3   14   19 o   30.307   0.9248  884.381   52.705  862.261   66.324  922.286   86.821   29.799   1.1466   30.815   1.4514 -1.015699 1.849671 
1 1 1   -3   14   20 o   74.539   0.8464  5363.94  116.427  5294.38  143.392  5498.54  199.454   73.841   1.0004   75.237   1.3657 -1.396378 1.692866 
1 1 1   -3   14   21 f   37.348   0.8825  1360.10   62.355  1378.67   79.999  1331.36   99.535   37.678   1.0938   37.019   1.3851 0.6585999 1.764914 
1 1 1   -3   14   22 o   27.412   1.1182  718.188   58.115  677.065   73.692  785.833   94.514   26.395   1.4382   28.429   1.7126 -2.033779 2.236445 
1 1 1   -3   14   23 o   82.970   1.0941  6694.15  176.136  6476.54  249.324  6910.96  248.864   81.621   1.5736   84.319   1.5205 -2.697510 2.188154 
1 1 1   -3   14   24 o   56.840   0.9619  3142.15  106.058  3256.25  149.408  3026.25  150.576   57.883   1.3297   55.798   1.3902 2.085102 1.923739 
1 1 1   -3   14   25 o   67.060   0.8812  4306.42  109.224  4166.97  134.194  4580.13  188.004   65.489   1.0556   68.631   1.4112 -3.141785 1.762310 
1 1 1   -3   14   26 o   53.016   0.9051  2749.01   89.273  2790.39  111.808  2676.23  148.280   53.584   1.0749   52.448   1.4564 1.136024 1.810156 
1 1 1   -3   14   27 o  108.202   1.1872 11515.87  239.128 11813.18  300.611 11003.56  394.609  110.182   1.4055  106.223   1.9138 3.958824 2.374418 
1 1 1   -3   14   28 o   10.805   2.6611  102.810   66.517   94.713   83.407  116.956  110.251   10.181   3.4955   11.428   4.0134 -1.247596 5.322242 
1 1 1   -3   14   29 o   36.738   1.1648  1329.28   78.006  1349.36   95.579  1289.22  134.990   37.202   1.3235   36.274   1.9171 0.9279823 2.329577 
1 1 1   -3   14   30 o   35.389   1.3713  1223.39   94.202  1223.39   94.202   0.0000   0.0000   35.389   1.3713  ?   ?       ?      ? 
1 1 1   -3   14   31 o   22.947   1.7658  528.824   74.199  532.127   91.239  522.373  127.505   23.173   2.0283   22.720   2.8910 0.4528351 3.531559 
1 1 1   -3   14   32 o   38.074   1.2341  1517.34   83.791  1691.17  104.020  1196.10  141.405   41.524   1.2905   34.624   2.1039 6.900642 2.468149 
1 1 1   -3   14   33 o   24.992   1.7518  609.593   78.359  568.341   92.914  711.198  145.819   23.800   2.0112   26.184   2.8689 -2.384472 3.503600 
1 1 1   -3   14   34 o   22.859   2.2782  601.870   82.375  645.084   96.671  487.305  157.402   25.271   1.9706   20.447   4.1082 4.823973 4.556376 
1 1 1   -3   15    1 o  183.353   1.3517 32646.18  481.072 32289.37  675.680 33013.00  685.093  182.337   1.9090  184.368   1.9142 -2.031555 2.703430 
1 1 1   -3   15    2 o  291.707   1.7724 82683.88  1003.60 82932.61  1412.80 82430.49  1425.90  292.152   2.4912  291.263   2.5220 0.8896790 3.544901 
1 1 1   -3   15    3 o  152.015   1.4259 22635.63  375.780 22874.37  442.549 22018.63  711.445  153.488   1.4853  150.541   2.4346 2.946609 2.851889 
1 1 1   -3   15    4 o   20.847   0.3115  420.625   12.345  415.983   15.879  427.715   19.626   20.702   0.3951   20.992   0.4816 -0.2897778 0.6229798 
1 1 1   -3   15    5 o  159.296   1.3026 24642.09  402.741 24722.13  566.135 24560.09  573.051  159.559   1.8278  159.034   1.8563 0.5249786 2.605118 
1 1 1   -3   15    6 o  183.973   1.4030 32870.56  500.835 32932.59  698.469 32804.92  718.531  184.153   1.9539  183.793   2.0140 0.3603668 2.806029 
1 1 1   -3   15    7 o   41.755   0.5261  1688.78   42.555  1743.95   62.612  1641.42   58.014   42.387   0.7610   41.123   0.7267 1.264725 1.052242 
1 1 1   -3   15    8 o  194.073   1.3172 36643.34  492.761 35889.66  737.780 37250.31  662.087  192.264   1.9768  195.882   1.7412 -3.617645 2.634321 
1 1 1   -3   15    9 o  363.794   1.7395 128490.20  1207.71 128586.30  1889.52 128423.90  1570.36  363.895   2.6749  363.692   2.2243 0.2031860 3.478912 
1 1 1   -3   15   10 o   67.064   1.5864  4364.77  206.415  4168.90  288.891  4569.06  295.036   65.527   2.2712   68.601   2.2156 -3.073387 3.172828 
1 1 1   -3   15   11 o  345.652   1.4926 116068.10  999.968 117316.60  1380.57 114690.20  1450.35  347.612   2.0460  343.692   2.1739 3.919983 2.985256 
1 1 1   -3   15   12 o  216.728   1.3255 45602.05  557.625 46105.52  789.925 45101.94  787.284  217.921   1.8673  215.536   1.8817 2.385254 2.650975 
1 1 1   -3   15   13 o  115.048   0.9604 12909.73  208.468 13114.67  266.367 12585.77  334.899  116.234   1.1805  113.862   1.5152 2.372574 1.920815 
1 1 1   -3   15   14 o   31.243   0.7390  946.690   44.068  942.938   57.254  952.144   69.028   31.168   0.9463   31.319   1.1354 -0.1512108 1.478064 
1 1 1   -3   15   15 o  152.599   1.1066 22629.53  319.794 22703.94  409.833 22513.68  511.341  152.925   1.3806  152.272   1.7299 0.6528931 2.213283 
1 1 1   -3   15   16 f  184.500   1.2138 32965.34  423.701 32657.48  540.415 33456.48  682.590  183.395   1.5180  185.605   1.8945 -2.209457 2.427689 
1 1 1   -3   15   17 o  160.197   1.1535 24904.38  349.094 24838.73  444.860 25009.61  563.202  159.934   1.4329  160.460   1.8081 -0.5261078 2.307068 
1 1 1   -3   15   18 o  177.736   1.2171 30691.70  409.901 30721.17  525.592 30645.96  654.874  177.859   1.5223  177.613   1.8994 0.2462006 2.434175 
1 1 1   -3   15   19 o  118.025   1.0570 13573.15  232.872 13686.13  292.379 13377.12  385.121  118.713   1.2688  117.338   1.6908 1.374237 2.113902 
1 1 1   -3   15   20 o  117.703   1.0534 13574.14  232.244 13914.72  294.285 13011.78  378.149  119.693   1.2666  115.713   1.6835 3.979507 2.106756 
1 1 1   -3   15   21 o   94.349   0.9839  8563.05  169.412  8403.71  205.994  8896.05  297.794   93.021   1.1408   95.677   1.6034 -2.656250 1.967825 
1 1 1   -3   15   22 o  103.914   1.0193 10506.35  198.443 10542.00  250.083 10445.74  326.087  104.170   1.2367  103.659   1.6206 0.5112305 2.038555 
1 1 1   -3   15   23 o  100.341   1.0374  9831.40  194.357  9954.42  244.356  9619.54  320.665  101.220   1.2436   99.462   1.6608 1.757553 2.074855 
1 1 1   -3   15   24 o   61.179   0.8647  3585.88   96.586  3490.73  117.285  3786.41  170.256   59.947   1.0079   62.411   1.4053 -2.463863 1.729384 
1 1 1   -3   15   25 o   74.173   0.9415  5341.79  129.372  5326.01  160.438  5371.12  218.750   74.035   1.1164   74.311   1.5164 -0.2768860 1.883057 
1 1 1   -3   15   26 o   71.146   0.9506  4967.14  125.875  5085.00  158.089  4762.99  208.059   72.331   1.1259   69.961   1.5320 2.369659 1.901274 
1 1 1   -3   15   27 o   47.041   5.6611  2166.82  105.000  2162.34  105.569  2579.53  1012.90   47.158   1.1532   46.923   11.263 0.2349052 11.32212 
1 1 1   -3   15   28 o   22.112   1.7943  521.049   70.247  619.536   89.050  358.792  114.299   25.181   1.8218   19.044   3.0919 6.136684 3.588657 
1 1 1   -3   15   29 o   73.301   1.0081  5227.84  134.676  5197.91  164.085  5289.61  235.750   73.049   1.1572   73.553   1.6512 -0.5041351 2.016266 
1 1 1   -3   15   30 o   30.930   1.3465  917.427   74.663  882.119   89.033  1001.10  137.058   30.022   1.5277   31.837   2.2177 -1.815170 2.692979 
1 1 1   -3   15   31 o   26.450   1.5532  676.700   74.471  643.245   89.485  752.074  134.318   25.524   1.8061   27.376   2.5275 -1.852516 3.106501 
1 1 1   -3   15   32 o   18.812   2.1982  379.336   72.043  397.360   88.040  342.805  125.339   19.901   2.2790   17.724   3.7596 2.177450 4.396356 
1 1 1   -3   15   33 o   16.882   2.5269  347.745   78.041  419.733   96.048  207.885  133.876   20.285   2.4392   13.480   4.4263 6.804502 5.053878 
1 1 1   -3   15   34 o   43.000   1.2959  1930.71   95.050  2021.90  112.333  1700.85  178.347   45.243   1.2791   40.756   2.2543 4.486843 2.591856 
1 1 1   -3   16    1 o  331.397   1.8227 106668.40  1171.89 105422.60  1627.14 108011.20  1689.22  329.392   2.5448  333.402   2.6101 -4.010071 3.645306 
1 1 1   -3   16    2 o   72.381   0.7106  5081.38   95.123  5071.52  117.749  5099.89  161.390   72.281   0.8392   72.480   1.1471 -0.1983032 1.421288 
1 1 1   -3   16    3 o  124.283   1.3267 14775.28  262.822 14610.14  295.773 15395.02  572.983  122.676   1.2420  125.890   2.3447 -3.214523 2.653334 
1 1 1   -3   16    4 o   61.011   0.5974  3608.34   67.966  3595.54   84.960  3631.09  113.274   60.862   0.7191   61.161   0.9541 -0.2983856 1.194749 
1 1 1   -3   16    5 o   67.530   0.7447  4426.48   97.619  4461.32  139.115  4392.69  137.017   67.792   1.0571   67.269   1.0493 0.5234222 1.489481 
1 1 1   -3   16    6 f  159.323   1.2300 24649.96  377.879 24610.86  567.946 24681.02  506.177  159.206   1.8377  159.439   1.6355 -0.2332916 2.460080 
1 1 1   -3   16    7 o  335.072   1.6989 109144.20  1085.00 108404.90  1701.34 109651.00  1408.61  334.098   2.6233  336.046   2.1594 -1.947876 3.397756 
1 1 1   -3   16    8 o  281.396   1.5481 76872.90  843.472 77008.91  1238.57 76755.27  1151.85  281.625   2.2656  281.168   2.1104 0.4571228 3.096248 
1 1 1   -3   16    9 o  140.757   1.2970 19297.64  345.979 18935.41  550.086 19534.72  445.021  139.657   2.0291  141.857   1.6161 -2.199631 2.594026 
1 1 1   -3   16   10 f  321.523   1.6077 100273.70  999.241 101424.00  1486.21 99324.80  1349.89  323.200   2.3689  319.847   2.1741 3.352661 3.215361 
1 1 1   -3   16   11 o  199.868   1.2751 38780.65  494.707 38563.12  696.993 39001.49  702.279  199.303   1.8016  200.433   1.8050 -1.129517 2.550222 
1 1 1   -3   16   12 o  263.723   1.4023 67512.89  717.821 66718.97  1005.85 68336.86  1024.71  262.144   1.9766  265.302   1.9897 -3.158783 2.804677 
1 1 1   -3   16   13 o  281.682   1.3227 76905.12  709.985 76354.39  918.538 77722.52  1119.03  280.440   1.6873  282.924   2.0375 -2.483673 2.645476 
1 1 1   -3   16   14 o   71.935   0.8320  5018.97  116.126  5159.79  167.432  4888.44  161.200   72.907   1.1831   70.964   1.1702 1.942787 1.664033 
1 1 1   -3   16   15 o  107.339   0.9449 11273.60  190.411 11546.68  242.009 10829.86  308.502  109.062   1.1431  105.615   1.5048 3.446396 1.889714 
1 1 1   -3   16   16 o  194.779   1.2561 36818.14  464.605 36715.98  597.544 36974.31  738.813  194.449   1.5831  195.108   1.9507 -0.6586609 2.512249 
1 1 1   -3   16   17 o   40.640   0.7461  1579.22   56.995  1511.42   71.416  1698.16   94.588   39.458   0.9324   41.822   1.1651 -2.364082 1.492263 
1 1 1   -3   16   18 o   55.823   1.9712  3263.93   97.773  3295.21  100.864  2776.97  397.958   58.261   0.8919   53.385   3.8402 4.876350 3.942415 
1 1 1   -3   16   19 o   62.277   0.7705  3763.90   89.008  3758.63  110.595  3773.59  149.964   62.220   0.9157   62.335   1.2393 -0.1153030 1.540924 
1 1 1   -3   16   20 o   45.044   0.7751  1967.97   65.011  1962.05   81.128  1978.59  108.677   44.952   0.9297   45.135   1.2404 -0.1821671 1.550154 
1 1 1   -3   16   21 o  123.390   1.1245 14853.20  255.344 14977.52  315.224 14615.95  435.461  124.169   1.3078  122.611   1.8296 1.558701 2.248948 
1 1 1   -3   16   22 o  162.483   1.3625 25628.68  417.784 25454.46  530.977 25911.83  676.924  161.802   1.6905  163.163   2.1372 -1.361664 2.725015 
1 1 1   -3   16   23 o   35.847   1.0015  1239.05   66.528  1216.46   82.232  1281.85  113.188   35.385   1.1972   36.309   1.6059 -0.9243164 2.003036 
1 1 1   -3   16   24 o   64.709   0.9802  4066.46  123.039  3965.61  170.312  4176.55  177.945   63.871   1.3736   65.546   1.3985 -1.674847 1.960311 
1 1 1   -3   16   25 o   27.965   1.3126  763.986   66.360  768.410   80.484  754.593  117.276   28.108   1.4751   27.822   2.1715 0.2868748 2.625119 
1 1 1   -3   16   26 o   87.518   1.0116  7384.81  164.278  7230.60  203.257  7675.30  278.971   86.240   1.2141   88.796   1.6185 -2.555496 2.023252 
1 1 1   -3   16   27 o   60.063   0.9309  3554.03  103.317  3660.43  128.879  3362.69  172.834   61.361   1.0820   58.766   1.5151 2.595058 1.861789 
1 1 1   -3   16   28 o   28.839   1.3752  838.708   72.154  893.689   89.561  737.023  121.799   30.271   1.5242   27.407   2.2894 2.864176 2.750363 
1 1 1   -3   16   29 o   12.446   2.7115  156.068   69.410  156.957   84.853  154.269  120.668   12.325   3.4241   12.568   4.2053 -0.2437391 5.423003 
1 1 1   -3   16   30 o   25.171   1.6029  625.441   74.800  622.144   92.875  631.526  126.188   25.147   1.9026   25.195   2.5801 -0.4746628E-01 3.205748 
1 1 1   -3   16   31 o   25.584   1.5614  685.469   71.571  755.892   88.877  555.553  120.715   27.697   1.6530   23.471   2.6495 4.226376 3.122885 
1 1 1   -3   16   32 o   27.970   1.6252  869.060   77.087  1010.77   94.449  586.305  133.414   32.022   1.5195   23.919   2.8734 8.102646 3.250396 
1 1 1   -3   16   33 o   24.796   1.7600  597.717   80.143  537.513   96.739  729.447  143.098   23.064   2.1607   26.528   2.7788 -3.464211 3.519992 
1 1 1   -3   16   34 o   26.711   1.7530  704.326   82.433  657.453   96.656  829.366  157.867   25.487   1.9537   27.934   2.9113 -2.447662 3.506067 
1 1 1   -3   17    1 o  162.792   1.2835 25728.84  405.508 25469.04  567.042 26000.77  580.131  161.952   1.8037  163.632   1.8264 -1.680832 2.566910 
1 1 1   -3   17    2 o  130.695   1.0366 16551.32  256.763 16434.62  328.671 16734.08  411.309  130.109   1.3013  131.281   1.6140 -1.171387 2.073267 
1 1 1   -3   17    3 o  214.328   1.6079 44653.98  656.750 44805.71  852.126 44431.97  1030.72  214.792   2.0437  213.864   2.4828 0.9282227 3.215734 
1 1 1   -3   17    4 o  221.267   1.6176 47602.59  683.039 47818.55  889.085 47291.54  1067.00  221.895   2.0641  220.639   2.4912 1.256805 3.235239 
1 1 1   -3   17    5 o   32.852   2.0668  1056.13  130.855  1149.54  180.335  952.268  190.169   34.399   2.7006   31.304   3.1295 3.095175 4.133652 
1 1 1   -3   17    6 o   98.960   0.9917  9504.14  190.477  9351.83  266.567  9663.04  272.274   98.150   1.3991   99.770   1.4059 -1.619682 1.983420 
1 1 1   -3   17    7 o   57.693   0.6646  3229.50   74.396  3268.72  107.222  3193.09  103.310   58.030   0.9518   57.355   0.9279 0.6751060 1.329286 
1 1 1   -3   17    8 o  419.450   1.8061 170794.20  1442.46 171060.70  2273.96 170614.70  1865.92  419.707   2.7911  419.194   2.2930 0.5124512 3.612227 
1 1 1   -3   17    9 o  307.784   1.7333 91941.88  1030.50 91597.84  1388.93 92363.19  1536.98  307.150   2.3295  308.419   2.5672 -1.269135 3.466589 
1 1 1   -3   17   10 o  144.561   1.2234 20308.82  341.699 20063.05  506.739 20513.74  462.724  143.757   1.8159  145.366   1.6398 -1.608871 2.446723 
1 1 1   -3   17   11 o  117.607   1.1011 13432.14  250.803 13351.61  366.765 13502.86  343.731  117.275   1.6111  117.939   1.5014 -0.6639633 2.202225 
1 1 1   -3   17   12 o  291.373   1.4327 82428.44  810.332 82275.20  1141.04 82584.36  1150.99  291.100   2.0193  291.646   2.0331 -0.5457458 2.865441 
1 1 1   -3   17   13 o  129.795   1.1197 16309.59  280.948 15883.84  378.282 16833.32  419.558  127.912   1.5235  131.678   1.6414 -3.765236 2.239465 
1 1 1   -3   17   14 o   69.416   0.7388  4655.45   96.429  4590.64  121.646  4765.03  158.183   68.770   0.9112   70.062   1.1631 -1.291893 1.477549 
1 1 1   -3   17   15 o  183.370   1.2200 32674.30  423.070 32759.68  540.798 32539.62  679.201  183.688   1.5167  183.051   1.9114 0.6360321 2.440056 
1 1 1   -3   17   16 o  113.323   0.9739 12542.30  207.988 12783.31  265.518 12159.57  334.597  114.746   1.1920  111.900   1.5404 2.845833 1.947744 
1 1 1   -3   17   17 f  103.447   0.9577 10322.99  184.697 10151.83  230.092 10633.09  309.701  102.255   1.1592  104.639   1.5247 -2.383553 1.915308 
1 1 1   -3   17   18 o   47.994   0.7178  2190.78   65.013  2054.40   81.707  2426.12  107.332   46.001   0.9150   49.987   1.1061 -3.986015 1.435527 
1 1 1   -3   17   19 o   90.536   0.9021  7998.20  152.387  8098.69  191.416  7824.29  251.813   91.324   1.0798   89.747   1.4454 1.577385 1.804191 
1 1 1   -3   17   20 o   47.071   0.7605  2155.35   66.381  2164.05   82.562  2139.45  111.639   47.210   0.9009   46.933   1.2254 0.2767792 1.520926 
1 1 1   -3   17   21 o   75.612   0.8877  5562.37  124.460  5582.89  154.776  5524.81  209.367   75.820   1.0516   75.405   1.4304 0.4146652 1.775331 
1 1 1   -3   17   22 o   73.954   0.8809  5338.61  121.617  5407.14  152.882  5220.52  200.701   74.613   1.0555   73.294   1.4106 1.318909 1.761832 
1 1 1   -3   17   23 o   49.147   0.8570  2339.84   78.829  2320.82   98.917  2372.94  130.493   48.880   1.0425   49.413   1.3604 -0.5325432 1.713936 
1 1 1   -3   17   24 o   65.825   0.8884  4144.41  108.158  3999.70  132.911  4428.11  186.095   64.163   1.0671   67.486   1.4205 -3.323441 1.776706 
1 1 1   -3   17   25 o   37.577   1.0209  1401.72   71.603  1489.18   91.309  1262.05  115.392   39.142   1.2017   36.011   1.6507 3.131294 2.041825 
1 1 1   -3   17   26 o   28.611   1.3123  787.370   70.387  759.556   88.003  836.755  117.265   27.932   1.6230   29.290   2.0625 -1.357773 2.624519 
1 1 1   -3   17   27 o  101.566   1.1340  9918.62  211.295  9657.11  257.847 10453.19  368.664   99.615   1.3334  103.517   1.8347 -3.901299 2.268046 
1 1 1   -3   17   28 o   42.175   1.0755  1762.89   82.491  1818.41  101.296  1653.59  142.139   43.216   1.2075   41.135   1.7801 2.080894 2.150968 
1 1 1   -3   17   29 o   34.173   1.2502  1193.44   75.705  1278.59   92.128  1016.37  132.850   36.203   1.3109   32.144   2.1291 4.058552 2.500321 
1 1 1   -3   17   30 o   18.587   2.1865  366.130   70.645  389.855   86.431  318.379  122.619   19.843   2.2439   17.331   3.7535 2.512011 4.373040 
1 1 1   -3   17   31 o   18.316   2.0545  321.614   69.002  259.507   84.713  444.061  118.947   15.761   2.8747   20.870   2.9361 -5.108624 4.109062 
1 1 1   -3   17   32 f   18.552   2.2556  361.679   75.400  359.238   93.561  366.202  127.352   18.808   2.5626   18.296   3.7127 0.5123100 4.511271 
1 1 1   -3   17   33 o   23.032   1.8538  530.868   79.337  493.938   97.561  602.975  136.323   22.048   2.2795   24.016   2.9242 -1.967678 3.707688 
1 1 1   -3   17   34 o   14.750   2.6390  273.921   78.740  325.740   95.180  161.563  140.154   17.538   2.7958   11.961   4.4767 5.577088 5.277940 
1 1 1   -3   18    1 o  140.566   1.1883 19175.84  324.151 18690.57  452.615 19686.82  464.452  138.741   1.6806  142.391   1.6803 -3.649612 2.376517 
1 1 1   -3   18    2 f  164.528   1.2089 26230.09  379.351 25996.46  491.558 26574.14  596.512  163.631   1.5476  165.426   1.8576 -1.795502 2.417758 
1 1 1   -3   18    3 o  117.595   1.3849 13334.51  250.875 13274.40  279.440 13584.26  569.586  116.935   1.2311  118.255   2.4813 -1.319382 2.769888 
1 1 1   -3   18    4 o   38.985   0.5441  1461.74   40.504  1548.08   64.039  1404.17   52.292   39.936   0.8261   38.035   0.7083 1.901073 1.088130 
1 1 1   -3   18    5 o  185.442   1.2639 33292.84  447.725 32865.80  581.614 33913.98  701.448  183.992   1.6284  186.893   1.9335 -2.901062 2.527870 
1 1 1   -3   18    6 o  227.626   1.6445 50256.73  713.117 50025.28  922.695 50600.06  1123.78  226.986   2.0941  228.267   2.5361 -1.281097 3.288942 
1 1 1   -3   18    7 o  315.502   1.6962 96609.63  1019.83 96880.95  1604.11 96425.56  1321.21  315.862   2.6162  315.143   2.1597 0.7190552 3.392483 
1 1 1   -3   18    8 o  255.608   1.5273 63406.79  756.724 63896.86  1102.25 62969.88  1040.74  256.540   2.2134  254.676   2.1052 1.863922 3.054646 
1 1 1   -3   18    9 o  118.487   1.0596 13609.26  242.540 13819.14  362.404 13438.98  326.419  119.313   1.5647  117.662   1.4291 1.650940 2.119157 
1 1 1   -3   18   10 o  169.877   1.7917 28025.50  590.707 27911.23  843.195 28135.64  827.790  169.536   2.5621  170.218   2.5052 -0.6820221 3.583388 
1 1 1   -3   18   11 f   87.275   0.9050  7391.88  153.146  7352.42  211.390  7435.46  222.176   87.030   1.2513   87.520   1.3078 -0.4896317 1.809937 
1 1 1   -3   18   12 o  155.230   1.3406 23390.23  403.915 22950.38  566.603 23844.72  575.958  153.747   1.8985  156.714   1.8933 -2.967117 2.681199 
1 1 1   -3   18   13 o   82.458   0.8935  6599.45  143.007  6523.99  200.781  6677.16  203.737   81.980   1.2617   82.937   1.2655 -0.9567337 1.786984 
1 1 1   -3   18   14 o  169.151   1.1447 27728.79  366.383 27552.96  467.805 28007.76  589.253  168.465   1.4305  169.837   1.7873 -1.372086 2.289302 
1 1 1   -3   18   15 o  139.158   1.1902 18782.52  320.492 18543.52  435.024 19066.22  473.965  138.193   1.6217  140.122   1.7425 -1.929504 2.380362 
1 1 1   -3   18   16 f   96.470   0.9159  9025.48  165.087  8996.87  206.897  9075.61  273.882   96.265   1.1072   96.675   1.4594 -0.4103012 1.831888 
1 1 1   -3   18   17 o  130.573   1.0669 16542.03  260.792 16500.88  327.772 16613.04  430.521  130.362   1.2953  130.785   1.6958 -0.4237061 2.133867 
1 1 1   -3   18   18 o   75.912   0.8100  5591.81  115.347  5581.11  145.427  5609.95  189.400   75.818   0.9881   76.006   1.2837 -0.1873932 1.619964 
1 1 1   -3   18   19 o   48.836   0.7357  2302.06   67.758  2259.06   85.780  2373.42  110.495   48.236   0.9161   49.437   1.1514 -1.200809 1.471394 
1 1 1   -3   18   20 o   40.675   0.7901  1600.41   60.775  1579.01   77.376  1634.87   98.194   40.325   0.9885   41.026   1.2330 -0.7016182 1.580298 
1 1 1   -3   18   21 o   64.770   0.8063  4092.02   97.117  4135.77  121.414  4014.32  161.817   65.260   0.9584   64.280   1.2968 0.9796677 1.612565 
1 1 1   -3   18   22 o   81.918   0.9428  6491.18  143.222  6422.54  177.501  6619.25  242.456   81.313   1.1245   82.522   1.5136 -1.208954 1.885586 
1 1 1   -3   18   23 o   99.811   1.0348  9662.72  192.603  9607.23  240.629  9761.64  321.300   99.434   1.2467  100.187   1.6521 -0.7530060 2.069677 
1 1 1   -3   18   24 o   39.423   0.9456  1487.39   70.599  1410.24   89.417  1615.09  115.040   38.093   1.2092   40.753   1.4542 -2.660736 1.891281 
1 1 1   -3   18   25 o   28.348   1.2413  763.953   66.346  709.639   83.149  859.130  110.070   27.003   1.5863   29.693   1.9096 -2.690273 2.482525 
1 1 1   -3   18   26 o   90.359   1.0190  7870.27  170.463  7703.79  210.335  8188.89  290.980   89.012   1.2173   91.705   1.6346 -2.693939 2.038049 
1 1 1   -3   18   27 f   72.989   0.9795  5252.15  132.403  5416.13  165.662  4962.15  220.301   74.622   1.1436   71.356   1.5904 3.266075 1.958934 
1 1 1   -3   18   28 o   62.846   0.9593  3799.80  110.167  3706.06  133.964  3995.65  193.628   61.706   1.1184   63.986   1.5589 -2.280308 1.918600 
1 1 1   -3   18   29 f   25.784   1.5101  647.451   71.335  633.808   87.079  675.289  124.383   25.432   1.7639   26.135   2.4517 -0.7031460 3.020293 
1 1 1   -3   18   30 o   31.345   1.2463  951.650   73.185  912.461   91.332  1021.95  122.328   30.505   1.5424   32.184   1.9580 -1.678679 2.492544 
1 1 1   -3   18   31 o   30.627   1.3153  969.937   74.113  1097.03   95.247  774.906  117.991   33.400   1.4691   27.854   2.1822 5.546432 2.630635 
1 1 1   -3   18   32 o   38.944   1.1479  1498.15   83.397  1491.79  104.385  1509.37  138.669   38.932   1.3812   38.956   1.8338 -0.2350235E-01 2.295754 
1 1 1   -3   18   33 o   38.015   1.2632  1433.94   87.926  1413.29  107.520  1475.62  152.771   37.784   1.4659   38.247   2.0577 -0.4627609 2.526482 
1 1 1   -3   18   34 o   25.109   1.8454  699.720   83.284  814.979  106.633  519.425  133.366   28.345   1.9380   21.873   3.1410 6.471256 3.690760 
1 1 1   -3   19    1 o  224.954   1.4675 49146.44  640.770 49567.18  903.018 48719.75  909.387  225.925   2.0591  223.983   2.0915 1.941483 2.935009 
1 1 1   -3   19    2 o  119.653   1.0117 13843.49  227.454 13680.93  286.779 14119.19  373.462  118.713   1.2445  120.593   1.5954 -1.879288 2.023331 
1 1 1   -3   19    3 o   75.442   1.7986  5523.54  262.801  5465.24  358.828  5591.00  385.967   75.015   2.4642   75.870   2.6207 -0.8549576 3.597266 
1 1 1   -3   19    4 o  241.498   1.6591 56534.64  764.773 56089.95  992.850 57183.46  1199.26  240.343   2.1281  242.652   2.5460 -2.309158 3.318274 
1 1 1   -3   19    5 o  222.430   1.3981 48049.01  597.756 48131.50  792.239 47939.98  910.822  222.657   1.8330  222.204   2.1116 0.4534912 2.796198 
1 1 1   -3   19    6 o   94.482   0.9655  8662.38  177.042  8829.67  253.379  8502.80  247.475   95.373   1.3686   93.591   1.3622 1.781929 1.930962 
1 1 1   -3   19    7 o   83.089   0.8722  6697.99  140.462  6761.66  204.703  6641.34  193.093   83.462   1.2635   82.716   1.2026 0.7454987 1.744301 
1 1 1   -3   19    8 o  397.406   1.7921 153242.00  1355.86 153902.09  2139.95 152799.30  1752.53  398.105   2.7691  396.708   2.2758 1.397156 3.584288 
1 1 1   -3   19    9 o  108.728   1.0510 11481.96  221.262 11389.73  323.968 11562.59  302.915  108.318   1.5408  109.138   1.4298 -0.8201599 2.101977 
1 1 1   -3   19   10 o  219.785   1.4332 46924.00  605.873 46718.41  920.292 47081.27  804.919  219.355   2.1613  220.215   1.8830 -0.8598938 2.866482 
1 1 1   -3   19   11 o   92.110   1.0125  8235.55  180.976  8259.44  259.362  8212.87  252.648   92.240   1.4485   91.980   1.4150 0.2600327 2.024943 
1 1 1   -3   19   12 o  328.486   1.5485 104793.30  983.408 104954.00  1332.57 104601.10  1457.27  328.769   2.0880  328.202   2.2874 0.5669556 3.097072 
1 1 1   -3   19   13 o  136.848   1.1719 18181.80  311.317 18209.12  439.128 18154.19  441.418  136.951   1.6518  136.744   1.6629 0.2070007 2.343898 
1 1 1   -3   19   14 o  162.497   1.1333 25671.80  349.444 25801.37  449.709 25474.33  555.163  163.021   1.4211  161.973   1.7657 1.048508 2.266526 
1 1 1   -3   19   15 o  226.768   1.2898 50092.54  557.182 50746.92  724.093 49142.59  872.426  228.603   1.6317  224.932   1.9981 3.670059 2.579695 
1 1 1   -3   19   16 o  133.412   1.0798 17326.17  271.781 17462.04  346.472 17108.84  438.199  134.103   1.3310  132.722   1.7008 1.380920 2.159699 
1 1 1   -3   19   17 o  148.996   1.1392 21713.29  320.692 22256.51  411.783 20875.99  511.237  151.393   1.4012  146.599   1.7965 4.793518 2.278321 
1 1 1   -3   19   18 o   39.228   0.7354  1481.83   54.807  1436.78   70.108  1552.62   87.888   38.469   0.9388   39.987   1.1323 -1.517925 1.470868 
1 1 1   -3   19   19 o   69.258   0.8033  4637.77  103.774  4585.39  129.518  4731.68  173.433   68.720   0.9709   69.797   1.2801 -1.077164 1.606621 
1 1 1   -3   19   20 o   95.507   0.9427  8882.72  168.350  8942.93  211.748  8779.28  277.553   95.959   1.1368   95.054   1.5042 0.9045868 1.885441 
1 1 1   -3   19   21 o   53.596   0.7643  2788.91   77.277  2785.44   98.295  2794.53  125.044   53.556   0.9455   53.635   1.2010 -0.7847214E-01 1.528525 
1 1 1   -3   19   22 o   73.571   0.8730  5334.55  121.257  5622.05  156.844  4907.42  191.172   76.080   1.0620   71.062   1.3859 5.017921 1.745999 
1 1 1   -3   19   23 o   63.809   0.8488  3946.60  101.961  3917.38  129.059  3995.13  166.312   63.504   1.0469   64.114   1.3363 -0.6104126 1.697582 
1 1 1   -3   19   24 o   52.164   0.8401  2634.27   82.774  2600.93  105.198  2688.47  134.124   51.740   1.0474   52.588   1.3139 -0.8480225 1.680283 
1 1 1   -3   19   25 o   43.087   0.9138  1825.13   74.576  1904.69   96.710  1708.42  117.134   44.267   1.1254   41.906   1.4399 2.361717 1.827575 
1 1 1   -3   19   26 o   60.165   0.8909  3481.98  100.332  3380.43  125.313  3663.32  167.461   58.971   1.0947   61.359   1.4059 -2.387962 1.781858 
1 1 1   -3   19   27 o   67.360   0.9373  4411.42  117.408  4396.44  146.274  4438.53  196.849   67.229   1.1208   67.491   1.5025 -0.2619019 1.874539 
1 1 1   -3   19   28 o   31.200   1.2259  955.989   71.951  970.055   91.508  933.211  116.449   31.530   1.4951   30.869   1.9433 0.6609192 2.451891 
1 1 1   -3   19   29 f   42.058   1.0310  1739.12   81.324  1770.87  103.061  1686.74  132.388   42.609   1.2460   41.508   1.6430 1.100288 2.062083 
1 1 1   -3   19   30 o   12.509   2.5091  145.517   67.231   69.037   86.370  263.101  107.094   9.2991   3.5074   15.718   3.5889 -6.418846 5.018168 
1 1 1   -3   19   31 o   35.391   1.1739  1226.10   78.899  1187.65  100.899  1286.61  126.578   34.739   1.4963   36.043   1.8091 -1.304066 2.347718 
1 1 1   -3   19   32 o   18.849   1.9801  356.034   71.165  317.038   90.842  417.985  114.498   17.601   2.6588   20.097   2.9350 -2.495790 3.960242 
1 1 1   -3   19   33 o   25.681   1.6557  623.716   79.403  469.052   98.240  915.135  134.850   21.418   2.3629   29.943   2.3200 -8.525751 3.311466 
1 1 1   -3   19   34 o   9.1057   2.6358   58.614   75.835   92.931   96.587   3.4579  122.451   9.7343   3.7000   8.4771   3.7549 1.257223 5.271582 
1 1 1   -3   20    1 o   47.359   0.6289  2173.95   57.760  2108.45   79.599  2246.80   83.943   46.607   0.8798   48.111   0.8988 -1.504707 1.257765 
1 1 1   -3   20    2 o  216.821   1.3638 45546.89  566.937 45033.57  743.538 46259.79  876.246  215.370   1.7785  218.271   2.0681 -2.901047 2.727622 
1 1 1   -3   20    3 o  303.883   1.7334 89687.49  1014.68 89772.71  1354.20 89578.39  1532.17  304.057   2.2944  303.708   2.5989 0.3489075 3.466741 
1 1 1   -3   20    4 o  104.733   0.9206 10653.68  180.925 10670.60  228.406 10625.18  296.421  104.847   1.1222  104.620   1.4596 0.2270126 1.841149 
1 1 1   -3   20    5 o  175.441   1.2607 29867.38  422.917 29802.31  552.131 29959.76  657.854  175.213   1.6233  175.668   1.9292 -0.4552917 2.521302 
1 1 1   -3   20    6 o  291.769   1.8475 82637.13  1045.95 81820.67  1456.09 83507.55  1503.45  290.282   2.5841  293.256   2.6411 -2.974274 3.694934 
1 1 1   -3   20    7 o  267.480   1.5980 69452.75  829.560 68928.19  1160.42 70001.02  1186.36  266.448   2.2436  268.512   2.2761 -2.064301 3.195955 
1 1 1   -3   20    8 o  179.224   1.3171 31212.10  454.891 30947.73  684.388 31421.33  608.845  178.541   1.9747  179.908   1.7434 -1.366257 2.634154 
1 1 1   -3   20    9 o  194.875   1.3658 36866.13  511.847 36897.46  778.908 36842.33  679.045  194.944   2.0583  194.806   1.7957 0.1380768 2.731512 
1 1 1   -3   20   10 o  328.416   1.6561 104689.90  1050.87 105145.60  1564.91 104315.70  1418.20  329.060   2.4499  327.772   2.2290 1.287842 3.312144 
1 1 1   -3   20   11 o  432.691   1.8785 181922.91  1549.85 181331.09  2429.55 182329.00  2012.51  432.072   2.8967  433.311   2.3926 -1.238892 3.757064 
1 1 1   -3   20   12 o  119.667   1.2671 13847.72  292.676 13413.22  390.952 14401.70  441.445  117.541   1.7134  121.792   1.8672 -4.250969 2.534231 
1 1 1   -3   20   13 o  268.617   1.4379 70067.99  749.737 71047.02  1062.26 69096.23  1058.32  270.487   2.0231  266.746   2.0439 3.740692 2.875835 
1 1 1   -3   20   14 o  141.894   1.3630 19741.55  325.209 19934.91  376.524 19173.65  645.280  143.295   1.3536  140.494   2.3661 2.801407 2.725901 
1 1 1   -3   20   15 o  198.653   1.2676 38328.68  477.666 38330.38  613.553 38326.08  761.084  198.673   1.5909  198.633   1.9739 0.3965759E-01 2.535181 
1 1 1   -3   20   16 o  253.838   1.4138 62526.73  691.770 62005.45  923.322 63193.78  1044.46  252.647   1.8827  255.029   2.1098 -2.381912 2.827654 
1 1 1   -3   20   17 o  192.865   1.2611 35979.99  460.649 35444.45  587.909 36831.61  741.374  191.032   1.5854  194.699   1.9616 -3.666580 2.522169 
1 1 1   -3   20   18 o   80.048   0.8315  6214.64  124.800  6192.21  157.169  6252.90  205.315   79.858   1.0139   80.237   1.3182 -0.3792725 1.663003 
1 1 1   -3   20   19 o  138.557   1.1284 18709.60  293.835 18877.18  372.477 18433.48  478.118  139.401   1.3765  137.713   1.7885 1.688248 2.256880 
1 1 1   -3   20   20 o   74.808   0.8295  5455.21  116.422  5514.18  147.295  5357.06  190.047   75.355   1.0070   74.260   1.3184 1.094742 1.658938 
1 1 1   -3   20   21 o   51.732   0.7797  2625.97   76.940  2762.04  101.437  2441.63  118.064   53.330   0.9799   50.133   1.2132 3.196476 1.559460 
1 1 1   -3   20   22 o  105.370   1.1152 10778.22  217.792 10740.19  270.204 10848.75  367.967  105.131   1.3240  105.609   1.7949 -0.4777985 2.230408 
1 1 1   -3   20   23 o   37.550   0.9132  1376.14   65.850  1413.34   87.654  1327.94   99.769   38.139   1.1840   36.961   1.3906 1.177883 1.826307 
1 1 1   -3   20   24 o   33.236   1.0022  1070.85   63.162  1058.98   80.855  1089.44  101.172   33.007   1.2619   33.465   1.5574 -0.4584656 2.004484 
1 1 1   -3   20   25 o   71.067   0.9008  4897.03  120.183  4856.87  151.463  4965.31  197.477   70.691   1.1038   71.444   1.4239 -0.7525024 1.801633 
1 1 1   -3   20   26 o  101.130   1.1267 10077.48  213.255 10432.84  270.729  9496.50  346.164  103.555   1.3468   98.706   1.8067 4.849297 2.253403 
1 1 1   -3   20   27 o   72.008   0.9319  5049.50  125.666  5049.99  158.155  5048.65  206.972   72.044   1.1309   71.972   1.4814 0.7196808E-01 1.863738 
1 1 1   -3   20   28 o   30.596   1.2510  935.927   71.323  997.133   90.874  837.743  115.096   31.966   1.4645   29.227   2.0287 2.738470 2.502052 
1 1 1   -3   20   29 o   11.928   2.6208  142.318   65.743  133.053   83.791  157.154  106.037   11.423   3.4716   12.433   3.9270 -1.009850 5.241526 
1 1 1   -3   20   30 o   16.379   2.1780  274.251   65.944  242.246   85.576  321.038  103.467   15.227   3.0018   17.531   3.1565 -2.303361 4.355968 
1 1 1   -3   20   31 o   25.033   1.5522  633.550   72.683  655.332   92.322  598.042  117.876   25.712   1.8497   24.355   2.4933 1.356470 3.104492 
1 1 1   -3   20   32 o   8.6926   2.5759   20.001   72.169 -15.4004   91.807   77.261  116.759   7.3397   3.2512   10.046   3.9963 -2.705854 5.151733 
1 1 1   -3   20   33 o   20.047   2.0842  424.991   79.403  431.037  103.127  416.190  124.435   20.397   2.6046   19.696   3.2546 0.7007027 4.168489 
1 1 1   -3   21    1 o   81.862   0.7703  6445.97  116.742  6313.68  144.055  6699.07  199.258   80.651   0.9201   83.074   1.2356 -2.422691 1.540596 
1 1 1   -3   21    2 o  253.468   1.4722 62320.23  717.840 61952.80  952.081 62804.25  1092.75  252.609   1.9416  254.327   2.2134 -1.718567 2.944329 
1 1 1   -3   21    3 o  126.636   1.4107 15508.94  282.515 15465.26  317.647 15674.32  618.019  126.221   1.2964  127.050   2.5059 -0.8281860 2.821388 
1 1 1   -3   21    4 o  257.362   1.7046 64022.95  836.591 62805.86  1081.16 65839.09  1320.70  254.337   2.1899  260.388   2.6129 -6.050735 3.409198 
1 1 1   -3   21    5 o  260.668   1.7084 66033.25  854.304 66365.03  1126.64 65584.40  1310.41  261.447   2.2199  259.889   2.5975 1.557465 3.416870 
1 1 1   -3   21    6 o  372.440   1.9367 134697.70  1400.02 134866.91  1966.96 134524.00  1993.14  372.678   2.7189  372.201   2.7586 0.4766846 3.873327 
1 1 1   -3   21    7 o  147.877   1.2777 21224.09  366.700 20978.79  512.734 21480.93  524.657  147.003   1.7968  148.751   1.8170 -1.748535 2.555370 
1 1 1   -3   21    8 o   68.268   0.7764  4524.06  102.881  4511.28  146.495  4536.49  144.515   68.173   1.1070   68.363   1.0890 -0.1903839 1.552850 
1 1 1   -3   21    9 o  255.565   1.4837 63446.66  728.284 63191.28  1112.69 63638.07  963.286  255.108   2.2469  256.022   1.9383 -0.9132996 2.967404 
1 1 1   -3   21   10 o  281.441   1.5393 76956.98  831.162 76594.10  1275.10 77225.07  1096.00  280.855   2.3388  282.027   2.0020 -1.171295 3.078630 
1 1 1   -3   21   11 o  291.389   1.5643 82580.79  875.205 81540.77  1335.92 83362.80  1158.42  289.769   2.3750  293.010   2.0367 -3.240570 3.128680 
1 1 1   -3   21   12 o   65.362   0.8117  4148.11  102.935  3984.03  145.292  4313.47  145.853   64.064   1.1683   66.660   1.1272 -2.596436 1.623405 
1 1 1   -3   21   13 o   71.985   0.8753  5029.85  122.273  4868.26  171.906  5195.31  173.953   70.815   1.2505   73.155   1.2250 -2.340294 1.750544 
1 1 1   -3   21   14 o  173.751   1.2501 29317.11  419.850 29321.97  568.321 29311.27  622.949  173.770   1.6848  173.730   1.8472 0.4002380E-01 2.500141 
1 1 1   -3   21   15 o   73.483   0.8934  5242.48  127.432  5196.54  179.226  5289.45  181.223   73.158   1.2621   73.809   1.2649 -0.6510544 1.786794 
1 1 1   -3   21   16 o  216.776   1.3022 45672.24  536.582 45775.57  692.338 45516.81  849.123  217.101   1.6428  216.451   2.0209 0.6498718 2.604410 
1 1 1   -3   21   17 o  146.312   1.1326 20714.06  311.997 20470.98  394.591 21119.50  509.611  145.184   1.4001  147.439   1.7806 -2.254211 2.265122 
1 1 1   -3   21   18 o   91.886   0.9257  8176.90  158.363  8117.61  197.366  8284.07  265.347   91.429   1.1120   92.344   1.4803 -0.9144287 1.851445 
1 1 1   -3   21   19 f   90.549   0.9143  7967.49  154.246  7975.67  192.802  7952.94  257.090   90.624   1.0960   90.474   1.4638 0.1494370 1.828665 
1 1 1   -3   21   20 o   16.280   1.5690  260.500   49.057  282.522   66.640  234.449   72.481   17.042   2.0144   15.518   2.4062 1.524727 3.138061 
1 1 1   -3   21   21 o  138.885   1.2731 18622.70  334.752 18161.62  425.996 19367.04  541.259  136.682   1.6056  141.088   1.9763 -4.405136 2.546282 
1 1 1   -3   21   22 o  105.169   1.1092 10812.07  218.447 10981.04  275.984 10528.64  357.442  106.300   1.3375  104.038   1.7699 2.261482 2.218410 
1 1 1   -3   21   23 o  105.611   1.0638 10884.65  210.801 11000.36  266.713 10692.06  344.091  106.387   1.2915  104.834   1.6908 1.552574 2.127651 
1 1 1   -3   21   24 o   58.165   0.8549  3299.41   93.637  3335.19  119.116  3241.52  151.490   58.590   1.0473   57.741   1.3515 0.8482819 1.709853 
1 1 1   -3   21   25 o   32.498   1.0804  1028.82   67.558  1035.98   89.947  1019.54  102.329   32.634   1.4199   32.362   1.6289 0.2715187 2.160874 
1 1 1   -3   21   26 o   80.008   0.9683  6181.16  144.409  6061.43  179.766  6398.99  242.477   78.951   1.1730   81.064   1.5409 -2.113091 1.936548 
1 1 1   -3   21   27 o   58.680   0.9138  3323.96  100.387  3245.01  125.564  3463.80  167.124   57.748   1.1201   59.613   1.4442 -1.864735 1.827689 
1 1 1   -3   21   28 o   51.831   0.9245  2610.48   89.563  2586.46  112.161  2652.74  148.785   51.535   1.1212   52.127   1.4704 -0.5927086 1.849072 
1 1 1   -3   21   29 o   21.253   1.6445  436.484   66.627  395.894   85.082  500.841  107.134   20.028   2.1885   22.478   2.4553 -2.450350 3.289061 
1 1 1   -3   21   30 o   7.6528   2.2784 -17.6733   65.199   67.115   85.836 -133.3077  100.241   9.1987   3.4900   6.1070   2.9299 3.091709 4.556804 
1 1 1   -3   21   31 o   48.302   0.9777  2251.45   89.386  2120.23  113.015  2470.68  146.074   46.508   1.2518   50.096   1.5021 -3.588470 1.955357 
1 1 1   -3   21   32 o   8.6875   2.5536   36.389   71.320   57.940   92.688   5.1104  111.666   8.9632   3.5622   8.4117   3.6598 0.5515337 5.107190 
1 1 1   -3   21   33 o   17.542   2.3649  333.468   76.557  297.392   98.851  387.538  121.018   16.436   3.2134   18.648   3.4708 -2.212160 4.729901 
1 1 1   -3   22    1 o  174.172   1.2650 29466.46  420.268 29538.14  546.245 29362.47  657.906  174.435   1.6132  173.908   1.9488 0.5268402 2.529907 
1 1 1   -3   22    2 o  100.608   0.8806  9757.10  165.779  9574.87  207.439 10079.20  275.790   99.319   1.0760  101.898   1.3943 -2.579346 1.761156 
1 1 1   -3   22    3 o  131.986   1.4402 16891.82  305.149 16875.79  345.194 16949.11  652.717  131.853   1.3487  132.118   2.5450 -0.2658844 2.880317 
1 1 1   -3   22    4 o  202.820   1.3845 39924.80  537.768 39869.67  704.863 40001.60  831.854  202.656   1.7918  202.983   2.1112 -0.3269958 2.769012 
1 1 1   -3   22    5 o  224.306   1.4158 48833.18  609.979 48757.83  805.939 48934.22  933.286  224.108   1.8526  224.505   2.1415 -0.3967896 2.831649 
1 1 1   -3   22    6 o  221.966   1.5167 47831.22  653.417 47650.25  915.934 48018.76  932.429  221.539   2.1299  222.393   2.1599 -0.8540192 3.033376 
1 1 1   -3   22    7 o   83.705   1.9096  6795.51  309.966  6622.17  426.962  6988.67  450.718   82.579   2.6635   84.832   2.7370 -2.253143 3.819116 
1 1 1   -3   22    8 o  199.800   1.3638 38779.77  524.606 38579.46  793.411 38935.38  699.283  199.338   2.0504  200.263   1.7988 -0.9249573 2.727636 
1 1 1   -3   22    9 o   70.958   0.7991  4888.14  110.053  4802.46  155.934  4973.17  155.344   70.338   1.1420   71.578   1.1180 -1.239395 1.598203 
1 1 1   -3   22   10 o   32.221   0.6345  1013.49   39.385  953.056   58.384  1063.95   53.353   31.335   0.9599   33.108   0.8302 -1.773245 1.269049 
1 1 1   -3   22   11 o  181.540   1.3787 31989.49  482.169 32072.14  728.633 31925.11  643.124  181.744   2.0653  181.335   1.8270 0.4092865 2.757453 
1 1 1   -3   22   12 o  258.564   1.5401 64832.96  763.981 65526.50  1176.41 64327.13  1004.67  259.747   2.3332  257.380   2.0109 2.366760 3.080122 
1 1 1   -3   22   13 o  103.697   1.0592 10431.76  212.826 10574.62  311.337 10306.45  291.596  104.362   1.5368  103.032   1.4580 1.330124 2.118361 
1 1 1   -3   22   14 f  137.480   1.3121 18359.54  350.070 18238.73  500.199 18475.51  490.104  137.035   1.8804  137.924   1.8306 -0.8891144 2.624266 
1 1 1   -3   22   15 o   96.162   0.9145  9035.97  165.444  9219.30  210.711  8741.25  267.156   97.447   1.1139   94.877   1.4506 2.569923 1.828932 
1 1 1   -3   22   16 o   82.928   0.9441  6676.21  151.964  6577.51  212.895  6778.73  216.984   82.303   1.3325   83.553   1.3378 -1.249313 1.888248 
1 1 1   -3   22   17 o   88.476   0.8856  7509.95  145.676  7292.75  180.345  7917.75  247.115   86.664   1.0720   90.288   1.4099 -3.624031 1.771199 
1 1 1   -3   22   18 o   54.072   0.7146  2820.23   73.565  2746.29   94.598  2933.36  117.014   53.184   0.9163   54.961   1.0968 -1.777336 1.429174 
1 1 1   -3   22   19 o   83.355   0.8730  6697.80  136.226  6561.32  170.498  6938.75  226.538   82.197   1.0686   84.512   1.3809 -2.315186 1.746033 
1 1 1   -3   22   20 o   73.285   0.8426  5217.45  116.157  5218.42  147.122  5215.85  189.267   73.302   1.0339   73.269   1.3307 0.3315735E-01 1.685197 
1 1 1   -3   22   21 o   71.947   0.8484  5039.69  115.465  5078.44  147.874  4979.16  184.823   72.309   1.0535   71.584   1.3301 0.7253036 1.696740 
1 1 1   -3   22   22 o   42.621   0.8175  1745.49   66.566  1662.41   85.900  1870.39  105.319   41.369   1.0697   43.874   1.2366 -2.505447 1.635062 
1 1 1   -3   22   23 f   60.916   0.8447  3578.83   97.489  3485.02  124.188  3729.47  157.373   59.892   1.0682   61.941   1.3088 -2.049229 1.689407 
1 1 1   -3   22   24 o   40.183   0.9018  1557.85   69.778  1481.38   92.118  1660.79  106.882   39.038   1.2156   41.328   1.3323 -2.290218 1.803509 
1 1 1   -3   22   25 o   55.582   0.8547  2994.62   90.215  2960.96  115.795  3046.60  143.905   55.196   1.0807   55.969   1.3245 -0.7735329 1.709491 
1 1 1   -3   22   26 o   23.956   1.5130  579.537   68.010  686.608   91.513  447.449  101.643   26.535   1.7766   21.376   2.4495 5.159067 3.025991 
1 1 1   -3   22   27 o   43.790   0.9832  1894.61   82.132  2042.93  109.313  1702.35  124.459   45.805   1.2294   41.775   1.5348 4.029476 1.966461 
1 1 1   -3   22   28 o   24.963   1.4107  606.495   68.011  561.330   90.750  664.364  102.723   23.917   1.9547   26.008   2.0347 -2.090813 2.821446 
1 1 1   -3   22   29 o   21.082   1.6178  447.719   64.977  508.867   88.357  375.704   95.886   22.726   2.0029   19.439   2.5411 3.286911 3.235562 
1 1 1   -3   22   30 o   23.694   1.5085  554.763   69.046  521.896   92.283  596.561  104.068   22.918   2.0743   24.470   2.1909 -1.551832 3.017078 
1 1 1   -3   22   31 o   18.409   2.1871  390.233   70.487  548.843   95.043  196.358  105.079   23.442   2.0886   13.377   3.8433 10.06559 4.374110 
1 1 1   -3   22   32 o   32.932   1.2403  1062.82   78.561  896.081  104.220  1282.23  119.557   29.972   1.7913   35.893   1.7159 -5.920942 2.480565 
1 1 1   -3   22   33 o   11.219   2.7570  135.645   77.894  193.079  104.999   65.350  116.162   12.886   3.8795   9.5529   3.9183 3.332762 5.513969 
1 1 1   -3   23    1 o  300.359   1.5866 87409.05  917.668 86198.48  1218.80 88993.59  1394.41  297.969   2.1072  302.750   2.3727 -4.781067 3.173289 
1 1 1   -3   23    2 f   31.146   0.5377  948.813   29.361  958.652   34.825  924.627   54.601   31.427   0.5708   30.864   0.9113 0.5632477 1.075364 
1 1 1   -3   23    3 o  239.955   1.6155 55967.82  720.027 56126.29  896.989 55680.69  1207.37  240.445   1.9218  239.465   2.5974 0.9793854 3.231029 
1 1 1   -3   23    4 o  145.235   1.1525 20448.87  317.124 20350.85  405.949 20602.36  507.972  144.792   1.4443  145.679   1.7963 -0.8866425 2.304938 
1 1 1   -3   23    5 o  298.768   1.7843 86530.70  1023.29 85726.22  1347.20 87627.84  1573.26  297.139   2.3357  300.398   2.6980 -3.259094 3.568522 
1 1 1   -3   23    6 o  319.633   1.9099 99224.19  1184.81 99816.20  1662.20 98612.73  1689.27  320.604   2.6708  318.662   2.7309 1.942383 3.819833 
1 1 1   -3   23    7 o  348.823   1.9486 118163.50  1319.24 117913.80  1847.26 118423.50  1884.69  348.449   2.7310  349.197   2.7804 -0.7485046 3.897298 
1 1 1   -3   23    8 o  224.590   1.5404 48977.27  671.528 49585.09  949.976 48370.21  949.391  225.984   2.1656  223.197   2.1912 2.786560 3.080783 
1 1 1   -3   23    9 o   48.248   2.1565  2295.17  194.715  2127.11  314.696  2399.42  247.857   46.790   3.4647   49.707   2.5687 -2.916325 4.313101 
1 1 1   -3   23   10 f  171.516   1.3492 28554.45  445.812 28629.01  673.522 28496.31  594.748  171.712   2.0206  171.321   1.7884 0.3911438 2.698372 
1 1 1   -3   23   11 o  240.910   1.5106 56317.61  699.580 56632.84  1067.50 56080.31  926.191  241.493   2.2772  240.327   1.9853 1.166016 3.021110 
1 1 1   -3   23   12 o   78.265   0.9437  5948.77  143.290  5866.72  205.133  6026.96  200.242   77.737   1.3594   78.792   1.3092 -1.055153 1.887307 
1 1 1   -3   23   13 o  207.562   1.4912 41839.10  596.266 41888.15  900.623 41800.82  795.604  207.661   2.2342  207.462   1.9756 0.1985168 2.982374 
1 1 1   -3   23   14 o   52.026   0.7572  2625.59   76.328  2662.50  111.757  2593.32  104.497   52.368   1.0994   51.684   1.0415 0.6841011 1.514401 
1 1 1   -3   23   15 o  125.654   1.1053 15355.56  260.614 15420.29  329.224 15246.92  426.510  126.019   1.3458  125.290   1.7537 0.7291489 2.210572 
1 1 1   -3   23   16 o   84.334   0.8659  6938.93  137.781  7050.19  176.073  6763.20  221.290   85.215   1.0644   83.454   1.3660 1.760918 1.731749 
1 1 1   -3   23   17 f   87.063   0.9856  7361.31  166.548  7446.58  237.712  7279.09  233.414   87.558   1.3986   86.568   1.3890 0.9898376 1.971141 
1 1 1   -3   23   18 o  149.924   1.1721 21748.54  330.618 21466.83  417.582 22221.79  541.239  148.650   1.4471  151.198   1.8441 -2.547729 2.344105 
1 1 1   -3   23   19 o   38.100   0.7860  1405.21   57.859  1365.53   77.676  1454.67   86.717   37.498   1.0671   38.701   1.1543 -1.202618 1.571984 
1 1 1   -3   23   20 o  115.708   1.1533 13136.80  247.262 13436.33  308.781 12601.46  412.807  117.593   1.3527  113.824   1.8683 3.769287 2.306602 
1 1 1   -3   23   21 o   75.052   0.8579  5439.64  120.685  5349.11  151.455  5597.10  199.747   74.211   1.0514   75.893   1.3559 -1.682495 1.715721 
1 1 1   -3   23   22 o  140.877   1.3700 19204.97  359.332 18927.55  447.128 19710.89  603.810  139.503   1.6511  142.251   2.1866 -2.747803 2.740013 
1 1 1   -3   23   23 o  134.746   1.2330 17655.07  312.795 17600.89  396.404 17744.46  509.199  134.519   1.5181  134.974   1.9434 -0.4549866 2.466069 
1 1 1   -3   23   24 o   16.011   1.8878  251.594   57.016  214.214   76.481  298.359   85.546   14.551   2.8094   17.471   2.5224 -2.919824 3.775577 
1 1 1   -3   23   25 o   18.006   1.7622  319.555   60.920  371.654   85.866  266.750   86.445   19.507   2.2676   16.505   2.6981 3.002203 3.524477 
1 1 1   -3   23   26 o   73.531   0.9270  5253.63  128.827  5223.99  164.202  5301.08  207.771   73.285   1.1542   73.777   1.4508 -0.4924240 1.853920 
1 1 1   -3   23   27 o   93.961   1.0613  8603.33  186.370  8578.76  233.740  8646.21  308.799   93.841   1.2831   94.081   1.6909 -0.2402115 2.122618 
1 1 1   -3   23   28 o   35.970   1.0746  1247.58   73.309  1188.81   93.204  1342.93  118.714   34.897   1.3759   37.043   1.6509 -2.146336 2.149100 
1 1 1   -3   23   29 o   7.8444   2.3585   6.2083   62.651  -5.5264   84.900   20.239   92.834   7.4034   3.2061   8.2853   3.4601 -0.8819737 4.717096 
1 1 1   -3   23   30 o   35.890   1.0746  1243.20   73.339  1155.44   93.370  1384.54  118.498   34.304   1.4022   37.476   1.6289 -3.171959 2.149255 
1 1 1   -3   23   31 o   13.432   2.5283  201.394   68.568  243.977   92.035  148.273  102.794   15.057   3.2444   11.807   3.8786 3.250168 5.056681 
1 1 1   -3   23   32 o   20.656   1.8390  440.742   72.945  451.188   97.207  427.279  110.360   21.033   2.3809   20.279   2.8034 0.7534790 3.678015 
1 1 1   -3   23   33 o   11.446   2.7218  148.342   74.746  194.015   99.548   89.315  113.170   12.910   3.7499   9.9817   3.9459 2.928332 5.443513 
1 1 1   -3   24    1 o  109.726   0.9922 11694.49  203.945 11714.95  256.828 11659.57  335.549  109.858   1.2043  109.594   1.5773 0.2636261 1.984474 
1 1 1   -3   24    2 o  398.783   1.9753 154341.70  1527.74 152454.20  2111.29 156416.30  2213.43  396.229   2.7450  401.337   2.8411 -5.108765 3.950553 
1 1 1   -3   24    3 o  113.302   1.8532 12451.28  407.346 11916.96  565.829 13026.13  586.897  110.781   2.6312  115.822   2.6104 -5.041168 3.706396 
1 1 1   -3   24    4 o  314.128   1.8146 95540.63  1093.30 94067.59  1434.09 97584.87  1689.42  311.255   2.3735  317.000   2.7455 -5.744598 3.629209 
1 1 1   -3   24    5 o  254.721   1.5036 62999.30  737.193 63024.61  980.928 62966.48  1117.46  254.785   1.9833  254.656   2.2605 0.1286621 3.007279 
1 1 1   -3   24    6 o  141.301   1.1459 19473.62  306.159 19796.01  392.676 18973.82  488.928  142.803   1.4165  139.799   1.8017 3.003693 2.291859 
1 1 1   -3   24    7 o  246.180   1.5775 58848.28  753.818 59172.09  1062.24 58519.78  1069.92  246.863   2.2167  245.497   2.2451 1.365707 3.155025 
1 1 1   -3   24    8 o  260.303   1.6195 65797.58  818.240 66090.74  1149.66 65496.65  1164.82  260.892   2.2701  259.715   2.3104 1.177216 3.239062 
1 1 1   -3   24    9 o  155.010   1.2620 23311.09  377.474 23486.33  566.617 23171.26  506.145  155.531   1.8768  154.489   1.6878 1.041794 2.524034 
1 1 1   -3   24   10 o   18.079   0.9712  320.368   33.700  269.151   48.195  369.369   47.141   16.651   1.4911   19.507   1.2449 -2.855793 1.942465 
1 1 1   -3   24   11 o  179.653   1.3555 31382.94  469.118 30981.31  706.042 31700.38  627.711  178.617   2.0363  180.688   1.7896 -2.071304 2.710963 
1 1 1   -3   24   12 o  319.225   1.6468 98961.48  1007.30 99119.00  1554.90 98847.55  1322.28  319.425   2.5077  319.026   2.1352 0.3988953 3.293529 
1 1 1   -3   24   13 o  281.814   1.6033 77108.45  866.858 77480.87  1333.13 76835.63  1141.01  282.383   2.4320  281.246   2.0900 1.137451 3.206671 
1 1 1   -3   24   14 o  155.308   1.3320 23392.40  399.392 23791.45  599.028 23073.04  535.883  156.492   1.9719  154.124   1.7912 2.368393 2.663970 
1 1 1   -3   24   15 o   68.173   0.7526  4520.81   97.929  4560.60  127.679  4463.96  152.620   68.540   0.9596   67.807   1.1595 0.7334900 1.505118 
1 1 1   -3   24   16 o   93.259   0.9188  8461.96  161.724  8514.67  206.226  8377.76  260.634   93.643   1.1345   92.875   1.4457 0.7678375 1.837658 
1 1 1   -3   24   17 o   36.744   0.7454  1316.12   52.899  1372.26   72.240  1251.20   77.678   37.593   0.9899   35.895   1.1148 1.698425 1.490881 
1 1 1   -3   24   18 o   36.596   0.8617  1306.26   60.633  1258.39   91.391  1343.89   81.035   35.993   1.3081   37.199   1.1222 -1.206699 1.723473 
1 1 1   -3   24   19 o  137.965   1.1991 18422.24  306.286 18238.63  378.917 18768.35  520.234  137.008   1.4247  138.922   1.9291 -1.913864 2.398205 
1 1 1   -3   24   20 o   30.954   0.9274  948.977   54.571  1053.76   72.931  815.683   82.257   32.937   1.1407   28.971   1.4627 3.966038 1.854888 
1 1 1   -3   24   21 o   27.946   0.9916  754.075   53.550  709.589   71.721  810.115   80.498   27.022   1.3673   28.870   1.4364 -1.848759 1.983114 
1 1 1   -3   24   22 o   70.891   0.8646  4918.28  115.169  5027.74  146.482  4741.09  186.376   71.942   1.0489   69.839   1.3748 2.102577 1.729209 
1 1 1   -3   24   23 o   38.562   4.1689  1792.25   90.247  1808.24   91.534  1235.54  540.062   43.139   1.0931   33.984   8.2659 9.154751 8.337863 
1 1 1   -3   24   24 o   42.333   0.8858  1724.93   71.886  1638.54   93.547  1849.51  112.336   41.056   1.1738   43.609   1.3270 -2.553684 1.771643 
1 1 1   -3   24   25 o   29.670   1.1275  854.120   64.760  770.385   88.935  948.637   94.487   28.125   1.6289   31.215   1.5594 -3.089111 2.255017 
1 1 1   -3   24   26 o   37.207   1.0272  1325.83   72.774  1238.89   92.968  1463.39  116.944   35.669   1.3427   38.745   1.5549 -3.076027 2.054366 
1 1 1   -3   24   27 o   30.574   1.1924  914.443   70.432  924.023   95.362  902.945  104.473   30.761   1.5970   30.387   1.7712 0.3741589 2.384856 
1 1 1   -3   24   28 o   24.480   1.3668  585.149   64.587  557.878   86.125  620.197   97.635   23.843   1.8608   25.118   2.0025 -1.274731 2.733579 
1 1 1   -3   24   29 f   10.839   2.5303  111.991   62.464   78.881   83.310  154.503   94.402   9.5201   3.4711   12.158   3.6826 -2.637671 5.060622 
1 1 1   -3   24   30 o   20.558   1.9156  462.160   68.634  590.956   91.694  298.052  103.503   24.394   1.9364   16.722   3.3059 7.671995 3.831240 
1 1 1   -3   24   31 o   15.888   2.3996  277.334   71.470  303.099   96.230  245.640  106.731   16.885   3.0481   14.890   3.7069 1.994754 4.799202 
1 1 1   -3   24   32 o   14.807   2.6138  241.494   76.377  167.527  101.857  336.505  115.441   12.216   3.8478   17.398   3.5387 -5.181719 5.227555 
1 1 1   -3   24   33 f   17.464   2.7274  358.083   89.836  352.207  131.703  363.196  122.854   17.196   4.0178   17.731   3.6895 -0.5343666 5.454852 
1 1 1   -3   25    1 o   46.752   0.5708  2140.04   48.689  2176.97   59.713  2066.78   84.101   47.359   0.6495   46.144   0.9389 1.214760 1.141680 
1 1 1   -3   25    2 o  168.463   1.2329 27509.63  394.283 27355.00  506.414 27747.65  628.291  167.866   1.5541  169.059   1.9145 -1.192917 2.465876 
1 1 1   -3   25    3 o  412.999   2.2482 165858.20  1775.90 164592.30  2752.43 166761.09  2324.47  411.620   3.4447  414.377   2.8898 -2.756866 4.496317 
1 1 1   -3   25    4 o  212.228   1.4072 43749.58  572.137 43855.44  751.366 43603.50  882.643  212.539   1.8212  211.917   2.1456 0.6218109 2.814302 
1 1 1   -3   25    5 o  138.358   1.1189 18603.32  293.115 18673.48  375.583 18494.01  468.797  138.695   1.3950  138.021   1.7497 0.6741333 2.237780 
1 1 1   -3   25    6 o   47.979   0.5580  2235.05   50.296  2237.00   63.588  2231.79   82.203   48.007   0.6823   47.951   0.8831 0.5647278E-01 1.116026 
1 1 1   -3   25    7 o  216.206   1.5319 45383.77  642.818 45182.22  900.672 45593.03  917.732  215.717   2.1509  216.694   2.1817 -0.9772949 3.063708 
1 1 1   -3   25    8 o   18.353   3.9119  327.138  150.883  289.086  205.391  371.744  222.380   17.358   5.4634   19.349   5.6003 -1.991369 7.823790 
1 1 1   -3   25    9 o   30.595   0.6126  904.510   36.260  956.919   53.997  861.468   48.934   31.398   0.8859   29.791   0.8462 1.606995 1.225103 
1 1 1   -3   25   10 o  110.600   1.0762 11864.87  230.393 12014.64  339.838 11737.49  313.414  111.245   1.5737  109.956   1.4684 1.288666 2.152368 
1 1 1   -3   25   11 o  314.168   1.6319 95895.78  983.033 95675.43  1512.28 96057.01  1293.63  313.838   2.4823  314.498   2.1190 -0.6600342 3.263750 
1 1 1   -3   25   12 o   87.319   0.9875  7405.76  167.132  7344.84  242.536  7460.84  230.635   86.976   1.4365   87.662   1.3553 -0.6857224 1.974971 
1 1 1   -3   25   13 o  128.713   1.2423 16098.99  309.505 15979.53  454.384 16202.38  422.741  128.264   1.8250  129.163   1.6861 -0.8982086 2.484603 
1 1 1   -3   25   14 o  135.621   1.2896 17883.73  338.199 17659.96  499.015 18073.83  459.942  134.831   1.9066  136.412   1.7369 -1.580826 2.579168 
1 1 1   -3   25   15 o   62.318   0.7284  3790.62   86.012  3867.40  110.858  3674.50  136.336   63.117   0.9048   61.519   1.1417 1.598145 1.456735 
1 1 1   -3   25   16 o   68.236   0.7806  4512.10  100.460  4483.08  127.568  4559.48  163.001   67.951   0.9671   68.521   1.2255 -0.5695114 1.561123 
1 1 1   -3   25   17 o   39.339   0.7180  1503.85   54.715  1521.02   75.232  1484.56   79.721   39.579   0.9792   39.100   1.0503 0.4784546 1.435989 
1 1 1   -3   25   18 o  103.679   1.0009 10446.17  195.889 10454.99  249.513 10432.00  316.262  103.748   1.2389  103.610   1.5725 0.1379547 2.001892 
1 1 1   -3   25   19 o   37.382   0.8532  1351.93   61.739  1429.05   91.591  1287.71   83.583   38.354   1.2302   36.409   1.1826 1.944939 1.706430 
1 1 1   -3   25   20 o   85.485   0.9189  7034.39  146.704  6865.79  182.885  7338.69  245.696   84.073   1.1206   86.896   1.4566 -2.823555 1.837762 
1 1 1   -3   25   21 o   53.542   0.7855  2785.40   80.349  2788.01  104.768  2781.66  125.203   53.576   1.0074   53.507   1.2054 0.6938171E-01 1.570943 
1 1 1   -3   25   22 o   56.194   0.7988  3043.61   85.474  2947.30  109.817  3191.62  136.135   55.081   1.0271   57.308   1.2237 -2.226925 1.597631 
1 1 1   -3   25   23 o   60.256   0.8419  3514.72   96.310  3462.94  123.476  3595.17  153.904   59.700   1.0655   60.813   1.3037 -1.112965 1.683734 
1 1 1   -3   25   24 f   17.446   1.7509  297.411   59.290  296.237   83.167  298.625   84.546   17.412   2.4606   17.480   2.4916 -0.6853485E-01 3.501859 
1 1 1   -3   25   25 f   21.118   1.6071  450.792   63.635  531.332   85.301  349.720   95.558   23.341   1.8826   18.895   2.6052 4.445999 3.214286 
1 1 1   -3   25   26 o   63.472   0.8892  3942.82  106.819  4017.56  137.358  3828.45  169.911   64.260   1.1011   62.684   1.3964 1.576351 1.778308 
1 1 1   -3   25   27 o   95.645   1.0909  8881.53  193.561  8758.68  239.864  9110.88  327.737   94.787   1.3036   96.504   1.7495 -1.717575 2.181787 
1 1 1   -3   25   28 o   29.975   1.2015  890.961   69.004  1023.87   95.835  747.864   99.439   32.352   1.5260   27.598   1.8561 4.754040 2.402907 
1 1 1   -3   25   29 o   10.998   2.4945  119.640   62.975  169.600   88.588   68.602   89.539   12.638   3.4940   9.3582   3.5612 3.280138 4.989002 
1 1 1   -3   25   30 o   33.140   1.1010  1091.48   70.183  1209.90   96.946  961.085  101.734   35.086   1.4234   31.194   1.6800 3.891453 2.201975 
1 1 1   -3   25   31 o   17.340   2.0928  314.263   68.550  271.430   93.786  363.396  100.445   15.884   3.1529   18.796   2.7529 -2.911984 4.185570 
1 1 1   -3   25   32 o   26.542   1.4765  719.159   75.124  766.356  100.996  660.702  112.400   27.627   1.8832   25.458   2.2745 2.168961 2.952924 
1 1 1   -3   25   33 o   13.002   2.8829  196.504   85.498  287.740  124.136  114.164  117.929   15.426   4.0820   10.578   4.0720 4.848163 5.765759 
1 1 1   -3   26    1 o  127.330   1.0966 15641.67  266.099 15247.04  342.923 16238.91  421.867  125.326   1.4096  129.334   1.6803 -4.008087 2.193274 
1 1 1   -3   26    2 o  153.350   1.2117 22715.12  351.698 22325.67  448.132 23339.68  567.493  151.651   1.5223  155.049   1.8855 -3.398285 2.423309 
1 1 1   -3   26    3 o  195.462   1.6352 36827.57  592.105 36213.36  731.828 37991.64  1007.49  193.131   1.9521  197.792   2.6240 -4.661377 3.270468 
1 1 1   -3   26    4 o  186.836   1.3200 33692.46  469.168 32929.42  602.788 34865.07  747.256  184.173   1.6861  189.499   2.0314 -5.326126 2.639967 
1 1 1   -3   26    5 o  175.125   1.2950 29730.21  431.547 29551.93  556.860 29998.26  682.823  174.473   1.6442  175.777   2.0012 -1.303513 2.589981 
1 1 1   -3   26    6 o  197.760   1.3847 37890.83  523.222 37525.93  680.566 38418.24  818.196  196.604   1.7833  198.917   2.1190 -2.313004 2.769469 
1 1 1   -3   26    7 o   64.273   2.1195  4019.92  263.524  4107.16  360.330  3919.61  386.394   65.026   2.8546   63.519   3.1337 1.506939 4.238974 
1 1 1   -3   26    8 o   71.012   0.8401  4894.69  115.795  4870.21  162.726  4919.80  164.813   70.832   1.1835   71.191   1.1926 -0.3596573 1.680167 
1 1 1   -3   26    9 o   93.325   1.0221  8454.80  185.149  8432.72  259.877  8477.55  263.850   93.201   1.4364   93.448   1.4545 -0.2471848 2.044242 
1 1 1   -3   26   10 o   32.830   0.6647  1047.94   42.288  1005.08   60.753  1088.23   58.898   32.178   0.9726   33.483   0.9062 -1.304924 1.329346 
1 1 1   -3   26   11 o  111.889   1.0942 12140.83  236.944 12333.31  350.151 11978.24  321.819  112.704   1.6005  111.073   1.4926 1.631508 2.188451 
1 1 1   -3   26   12 o  206.898   1.4791 41528.74  588.913 41987.16  895.789 41179.80  781.547  207.891   2.2198  205.904   1.9554 1.986618 2.958161 
1 1 1   -3   26   13 o   55.218   0.7683  2963.27   82.117  2916.56  120.284  3004.03  112.382   54.809   1.1306   55.626   1.0408 -0.8171043 1.536662 
1 1 1   -3   26   14 o   86.388   0.9930  7248.97  166.462  7142.60  237.465  7351.75  233.413   85.764   1.4264   87.012   1.3819 -1.247871 1.985995 
1 1 1   -3   26   15 o  121.154   1.1973 14262.86  280.912 14201.25  411.175 14316.78  384.685  120.905   1.7519  121.403   1.6323 -0.4982681 2.394539 
1 1 1   -3   26   16 o  107.278   0.9999 11183.72  203.314 11200.85  260.851 11157.22  324.528  107.392   1.2513  107.164   1.5601 0.2280960 1.999871 
1 1 1   -3   26   17 o  129.237   1.1111 16218.26  273.022 16175.58  352.043 16282.66  432.474  129.038   1.4054  129.436   1.7212 -0.3975983 2.222142 
1 1 1   -3   26   18 o   83.377   0.9063  6783.93  141.508  6873.71  178.675  6632.87  231.774   84.130   1.0941   82.625   1.4451 1.505142 1.812525 
1 1 1   -3   26   19 o   97.481   1.0035  9172.77  183.763  8996.28  231.204  9475.51  302.811   96.230   1.2377   98.731   1.5800 -2.500923 2.007050 
1 1 1   -3   26   20 o  104.421   1.1734 10601.00  237.831 10781.23  338.013 10424.28  334.701  105.300   1.6536  103.541   1.6652 1.759163 2.346811 
1 1 1   -3   26   21 o   26.433   1.0669  683.804   54.357  759.004   75.750  603.975   78.046   27.944   1.3964   24.921   1.6133 3.022701 2.133728 
1 1 1   -3   26   22 o   52.272   0.8097  2665.22   81.008  2718.24  106.629  2592.84  124.579   52.895   1.0385   51.649   1.2426 1.245548 1.619383 
1 1 1   -3   26   23 o   37.145   0.9066  1343.94   65.110  1371.91   88.752  1311.34   95.812   37.567   1.2170   36.722   1.3441 0.8447952 1.813223 
1 1 1   -3   26   24 o   40.810   0.9087  1607.69   71.707  1484.02   96.364  1761.13  107.338   39.065   1.2707   42.555   1.2994 -3.489517 1.817475 
1 1 1   -3   26   25 o   30.099   1.1282  873.865   65.523  805.926   87.034  962.749   99.549   28.764   1.5587   31.433   1.6315 -2.668882 2.256425 
1 1 1   -3   26   26 o   41.275   0.9594  1652.53   75.877  1615.06   99.120  1705.56  117.925   40.725   1.2538   41.826   1.4524 -1.101826 1.918750 
1 1 1   -3   26   27 o   24.409   1.4599  579.667   68.841  525.263   92.126  648.454  103.590   23.127   2.0521   25.692   2.0771 -2.565565 2.919837 
1 1 1   -3   26   28 o   8.7420   2.3857   27.787   62.001 -38.4643   83.112  110.922   93.102   6.6981   3.0206   10.786   3.6934 -4.087847 4.771337 
1 1 1   -3   26   29 o   24.156   1.4011  581.930   65.095  613.865   87.929  543.203   96.828   24.933   1.8167   23.379   2.1336 1.554403 2.802249 
1 1 1   -3   26   30 o   25.986   1.3507  676.589   67.486  748.126   93.003  597.034   98.077   27.499   1.7423   24.473   2.0645 3.026735 2.701442 
1 1 1   -3   26   31 o   11.987   2.3781  142.833   69.239  276.840   97.792   8.1306   98.045   15.962   3.2661   8.0115   3.4574 7.950783 4.756163 
1 1 1   -3   26   32 o   9.9793   2.5719   91.458   70.167  153.962   94.196   13.541  105.171   11.704   3.7017   8.2542   3.5714 3.450206 5.143722 
1 1 1   -3   27    1 o  276.009   1.5677 73864.55  832.542 73197.51  1103.92 74744.40  1267.81  274.572   2.0712  277.445   2.3540 -2.872406 3.135471 
1 1 1   -3   27    2 o  423.482   1.9042 173924.09  1562.70 170299.59  2139.49 178069.09  2287.95  418.765   2.6319  428.200   2.7526 -9.434967 3.808365 
1 1 1   -3   27    3 o  192.545   1.5820 35910.47  537.746 35788.90  638.596 36206.80  997.005  192.002   1.7134  193.088   2.6600 -1.085968 3.164037 
1 1 1   -3   27    4 o  283.059   1.7237 77580.16  913.479 76967.39  1146.78 78643.95  1510.99  281.552   2.0982  284.567   2.7354 -3.014648 3.447424 
1 1 1   -3   27    5 o   48.788   0.5790  2318.18   53.190  2342.94   67.646  2278.07   86.088   49.131   0.7093   48.445   0.9154 0.6856232 1.158061 
1 1 1   -3   27    6 o  200.989   1.4038 39201.09  538.169 39106.09  698.478 39339.89  844.246  200.696   1.7929  201.281   2.1607 -0.5852814 2.807692 
1 1 1   -3   27    7 o  114.853   1.1573 12803.28  257.982 12596.17  361.387 13018.50  368.397  113.906   1.6344  115.800   1.6389 -1.893730 2.314558 
1 1 1   -3   27    8 o  101.651   1.0502 10029.25  207.210  9914.48  290.308 10148.43  295.849  101.058   1.4799  102.243   1.4906 -1.185204 2.100470 
1 1 1   -3   27    9 o  204.671   1.5270 40682.39  606.654 40753.72  854.159 40609.80  861.768  204.853   2.1480  204.490   2.1710 0.3632813 3.054006 
1 1 1   -3   27   10 o  113.609   1.1858 12454.56  258.274 13011.26  401.668 12062.14  337.233  115.757   1.7875  111.461   1.5586 4.296036 2.371630 
1 1 1   -3   27   11 o   47.736   0.7036  2212.15   65.193  2188.83   92.213  2235.45   92.181   47.484   1.0004   47.988   0.9896 -0.5030785 1.407150 
1 1 1   -3   27   12 o   34.296   0.7205  1140.57   47.899  1165.40   69.870  1118.56   65.792   34.647   1.0389   33.944   0.9985 0.7031364 1.440904 
1 1 1   -3   27   13 o   91.949   1.0220  8202.52  181.792  8297.71  269.220  8122.75  246.468   92.437   1.5004   91.461   1.3882 0.9761887 2.044083 
1 1 1   -3   27   14 o  148.270   1.3714 21357.89  394.669 21398.99  561.931 21317.87  554.437  148.410   1.9505  148.130   1.9282 0.2798615 2.742702 
1 1 1   -3   27   15 o  130.107   1.2701 16410.52  319.259 16827.68  477.760 16073.95  429.143  131.591   1.8703  128.622   1.7188 2.968445 2.540148 
1 1 1   -3   27   16 o   49.036   0.6943  2346.75   65.483  2434.04   87.852  2237.63   98.227   50.069   0.9039   48.004   1.0541 2.065598 1.388601 
1 1 1   -3   27   17 o   76.101   0.8311  5601.40  118.543  5536.27  148.907  5714.10  195.878   75.506   1.0159   76.696   1.3157 -1.190041 1.662264 
1 1 1   -3   27   18 o   21.990   1.1277  468.754   47.860  459.090   64.046  480.977   72.024   21.735   1.5180   22.244   1.6680 -0.5092049 2.255310 
1 1 1   -3   27   19 o   96.580   0.9796  9113.86  179.841  9321.56  233.359  8810.08  282.217   97.955   1.2273   95.205   1.5271 2.749496 1.959103 
1 1 1   -3   27   20 o   53.858   0.7751  2831.07   80.055  2910.36  106.156  2726.53  121.900   54.740   0.9990   52.976   1.1854 1.764328 1.550219 
1 1 1   -3   27   21 o   80.780   0.9147  6354.59  140.773  6409.96  182.798  6273.91  220.673   81.224   1.1594   80.337   1.4150 0.8871231 1.829344 
1 1 1   -3   27   22 o   91.228   0.9868  8107.85  169.687  8157.62  215.941  8027.50  274.362   91.615   1.2142   90.841   1.5559 0.7737350 1.973613 
1 1 1   -3   27   23 o   92.756   1.0044  8313.32  173.596  8172.79  216.109  8568.94  291.464   91.687   1.2142   93.825   1.6003 -2.138283 2.008811 
1 1 1   -3   27   24 f   15.739   2.0682  250.898   61.167  299.363   85.448  199.963   87.598   17.494   2.5163   13.985   3.2830 3.508839 4.136409 
1 1 1   -3   27   25 o   29.563   1.1628  855.553   65.938  876.548   87.417  827.840  100.433   29.996   1.5013   29.129   1.7762 0.8668900 2.325656 
1 1 1   -3   27   26 o   65.782   0.9180  4228.18  113.860  4268.71  145.118  4163.27  183.645   66.223   1.1289   65.340   1.4479 0.8832092 1.835959 
1 1 1   -3   27   27 o   66.441   0.9213  4314.45  115.039  4338.57  145.745  4274.60  187.365   66.731   1.1251   66.151   1.4591 0.5797348 1.842528 
1 1 1   -3   27   28 o   8.5276   2.4101   35.653   60.663   9.8185   80.971   68.708   91.589   7.5819   3.2027   9.4733   3.6025 -1.891357 4.820251 
1 1 1   -3   27   29 o   31.952   1.1000  1007.27   68.029  1075.25   95.150  936.173   97.302   33.078   1.4819   30.826   1.6261 2.252119 2.199996 
1 1 1   -3   27   30 o   40.195   1.0162  1591.60   79.207  1655.92  111.207  1525.37  112.841   41.035   1.3961   39.354   1.4771 1.681473 2.032464 
1 1 1   -3   27   31 f   18.015   2.0257  337.487   70.828  334.837  100.852  340.068   99.494   17.932   2.8973   18.099   2.8319 -0.1669655 4.051394 
1 1 1   -3   27   32 o   9.4557   2.5870   61.962   72.066  -8.2437   98.969  141.203  105.144   7.6171   3.3748   11.294   3.9220 -3.677240 5.174075 
1 1 1   -3   28    1 o  203.551   1.3789 40117.58  535.239 39653.91  692.826 40803.95  842.947  202.102   1.7660  205.000   2.1183 -2.898331 2.757859 
1 1 1   -3   28    2 o   91.838   0.8858  8185.75  151.523  8182.04  189.256  8192.39  252.893   91.811   1.0619   91.865   1.4181 -0.5474854E-01 1.771664 
1 1 1   -3   28    3 f  191.965   1.6132 35516.98  544.098 35164.26  643.013 36406.23  1020.99  190.317   1.7405  193.613   2.7166 -3.296005 3.226321 
1 1 1   -3   28    4 o   23.804   2.6342  455.418   38.675  449.933   39.134  685.018  253.209   21.530   0.9364   26.078   5.1845 -4.548618 5.268359 
1 1 1   -3   28    5 o   49.769   0.5866  2404.36   54.705  2404.60   68.889  2403.94   90.010   49.773   0.7130   49.765   0.9317 0.7701874E-02 1.173252 
1 1 1   -3   28    6 o  258.913   1.5611 65091.26  776.792 65075.19  1028.41 65112.61  1185.32  258.884   2.0464  258.942   2.3581 -0.5783081E-01 3.122290 
1 1 1   -3   28    7 o  259.147   1.6571 65225.80  833.446 65812.59  1171.19 64623.77  1186.29  260.330   2.3176  257.965   2.3690 2.364990 3.314135 
1 1 1   -3   28    8 o  111.907   1.1560 12160.05  251.079 12238.49  352.703 12079.46  357.503  112.273   1.6183  111.541   1.6511 0.7325592 2.311969 
1 1 1   -3   28    9 o  115.635   1.1849 12983.88  265.958 13099.73  375.184 12866.86  377.065  116.154   1.6640  115.116   1.6874 1.037628 2.369832 
1 1 1   -3   28   10 o  139.567   1.2455 18955.03  336.283 18378.45  492.091 19460.22  460.620  137.568   1.8427  141.566   1.6762 -3.997452 2.491025 
1 1 1   -3   28   11 f   76.130   0.9083  5627.97  134.201  5590.00  191.548  5664.58  188.079   75.877   1.3005   76.382   1.2685 -0.5051422 1.816656 
1 1 1   -3   28   12 o   98.928   1.0552  9489.44  201.999  9679.24  299.068  9330.22  273.925   99.834   1.5432   98.021   1.4396 1.812866 2.110445 
1 1 1   -3   28   13 o   91.267   1.0180  8087.85  180.104  8103.98  261.760  8073.35  248.191   91.352   1.4761   91.182   1.4022 0.1704330 2.035956 
1 1 1   -3   28   14 o  142.389   1.3414 19696.68  369.441 19736.98  546.175 19662.69  501.603  142.517   1.9742  142.261   1.8164 0.2555695 2.682703 
1 1 1   -3   28   15 o   44.087   0.7667  1887.22   65.273  1888.59   97.422  1886.10   87.926   44.100   1.1380   44.073   1.0277 0.2697372E-01 1.533409 
1 1 1   -3   28   16 o  113.378   1.0373 12404.27  222.329 12129.57  282.358 12852.48  360.666  111.749   1.3016  115.007   1.6155 -3.258629 2.074659 
1 1 1   -3   28   17 o   98.406   0.9686  9423.90  179.930  9478.28  229.514  9337.16  289.833   98.786   1.1969   98.027   1.5231 0.7594147 1.937127 
1 1 1   -3   28   18 o   6.8547   1.9483   6.3545   43.517   53.657   58.914 -50.4441   64.558   8.1197   2.9252   5.5897   2.5744 2.530024 3.896693 
1 1 1   -3   28   19 o   72.489   0.8459  5094.80  115.724  5062.53  147.113  5147.17  187.432   72.196   1.0497   72.782   1.3266 -0.5858002 1.691714 
1 1 1   -3   28   20 f   54.504   0.7835  2885.61   82.103  2884.03  108.835  2887.69  125.072   54.490   1.0289   54.518   1.1818 -0.2792358E-01 1.566974 
1 1 1   -3   28   21 f   68.039   0.8450  4514.39  109.864  4592.29  143.932  4405.65  170.057   68.752   1.0785   67.326   1.3012 1.426414 1.690046 
1 1 1   -3   28   22 o   58.942   0.8313  3359.44   93.689  3282.09  121.715  3471.92  146.767   58.120   1.0788   59.765   1.2651 -1.645046 1.662630 
1 1 1   -3   28   23 o   20.287   1.4937  400.473   58.747  375.034   80.954  428.774   85.385   19.608   2.1269   20.967   2.0979 -1.359249 2.987439 
1 1 1   -3   28   24 o   25.517   1.2168  627.505   59.892  542.295   80.407  733.701   89.764   23.590   1.7559   27.443   1.6850 -3.853430 2.433627 
1 1 1   -3   28   25 o   23.540   1.4670  544.057   66.096  554.332   86.998  530.031  101.650   23.820   1.8815   23.259   2.2514 0.5607491 2.934048 
1 1 1   -3   28   26 o   28.258   1.2469  774.355   68.061  716.450   90.920  848.167  102.651   27.071   1.7302   29.446   1.7958 -2.375277 2.493710 
1 1 1   -3   28   27 o   25.628   1.3339  647.320   65.434  661.309   86.214  628.315  100.493   25.982   1.7094   25.274   2.0483 0.7073345 2.667883 
1 1 1   -3   28   28 o   9.0517   2.4711   58.726   61.712   70.482   87.700   47.197   86.853   9.3868   3.5357   8.7166   3.4533 0.6701880 4.942289 
1 1 1   -3   28   29 o   12.033   2.5410  154.539   64.271  133.643   91.077  175.267   90.709   11.319   3.6463   12.747   3.5398 -1.428692 5.081936 
1 1 1   -3   28   30 o   34.731   1.1055  1196.56   74.062  1245.61  100.617  1138.56  109.413   35.551   1.4580   33.912   1.6621 1.638985 2.210941 
1 1 1   -3   28   31 o   29.055   1.3637  853.609   76.172  912.694  103.381  783.441  112.662   30.243   1.7610   27.868   2.0826 2.374695 2.727313 
1 1 1   -3   28   32 o   12.073   2.8685  167.626   83.755   95.474  123.963  228.229  113.609   10.298   4.1111   13.847   4.0014 -3.548886 5.736908 
1 1 1   -3   29    1 o  172.231   1.2767 28658.06  416.795 28159.33  532.396 29447.64  669.884  170.310   1.6104  174.152   1.9816 -3.841492 2.553407 
1 1 1   -3   29    2 o   61.238   2.2298  3639.26  264.775  3403.61  368.386  3891.09  380.818   59.189   3.2062   63.288   3.0998 -4.098862 4.459679 
1 1 1   -3   29    3 o  182.306   1.5986 31894.64  500.619 31470.22  582.906 33087.64  977.284  180.042   1.6679  184.570   2.7277 -4.527405 3.197195 
1 1 1   -3   29    4 o  185.978   1.6571 33836.59  543.964 34192.65  648.192 32988.68  1000.27  187.665   1.7793  184.291   2.7961 3.374298 3.314213 
1 1 1   -3   29    5 o  103.253   0.9599 10390.72  186.476 10521.05  237.018 10178.99  302.103  104.108   1.1728  102.397   1.5199 1.710800 1.919757 
1 1 1   -3   29    6 o  268.067   1.5855 69607.84  814.817 68700.31  1067.95 70872.07  1260.48  265.992   2.0683  270.143   2.4037 -4.151123 3.171068 
1 1 1   -3   29    7 o   46.440   0.6035  2088.82   52.456  2076.28   65.852  2110.58   86.770   46.250   0.7335   46.629   0.9586 -0.3793182 1.207044 
1 1 1   -3   29    8 o  212.225   1.5425 43739.76  635.332 43612.42  888.777 43872.82  908.538  211.910   2.1606  212.539   2.2021 -0.6291199 3.085044 
1 1 1   -3   29    9 o   41.238   0.6905  1651.07   55.264  1668.47   77.734  1633.29   78.584   41.458   0.9659   41.019   0.9869 0.4395103 1.380945 
1 1 1   -3   29   10 o  105.572   1.1397 10822.44  233.529 10780.83  327.503 10865.47  333.089  105.366   1.6012  105.778   1.6222 -0.4121170 2.279333 
1 1 1   -3   29   11 o   38.049   0.6823  1405.61   50.382  1394.03   71.769  1416.86   70.745   37.894   0.9757   38.203   0.9540 -0.3092117 1.364541 
1 1 1   -3   29   12 o   78.698   0.9252  6004.74  141.172  6185.82  205.805  5843.82  194.010   79.816   1.3283   77.579   1.2883 2.236816 1.850434 
1 1 1   -3   29   13 o   76.797   0.9247  5722.56  137.693  5813.65  200.203  5640.79  189.678   77.375   1.3329   76.218   1.2820 1.157608 1.849386 
1 1 1   -3   29   14 o   95.907   1.0563  8932.68  196.224  8967.18  287.394  8902.55  268.566   96.078   1.5409   95.737   1.4451 0.3419724 2.112564 
1 1 1   -3   29   15 o   56.179   0.7908  3062.17   86.165  3125.30  125.060  3005.11  118.885   56.730   1.1356   55.629   1.1009 1.100632 1.581692 
1 1 1   -3   29   16 o   19.413   1.1695  365.922   43.724  306.938   60.420  430.771   63.353   17.770   1.7516   21.055   1.5501 -3.284964 2.338942 
1 1 1   -3   29   17 o   36.624   0.7955  1319.21   55.637  1415.38   74.073  1194.72   84.276   38.177   0.9995   35.071   1.2379 3.106808 1.591067 
1 1 1   -3   29   18 o   17.983   1.2085  311.395   41.958  272.636   56.450  359.243   62.721   16.745   1.7367   19.222   1.6809 -2.477566 2.416931 
1 1 1   -3   29   19 o   92.589   0.9737  8341.86  170.348  8378.64  217.556  8283.59  273.866   92.867   1.2068   92.312   1.5283 0.5550232 1.947359 
1 1 1   -3   29   20 o   57.742   0.7932  3244.81   87.606  3273.19  114.771  3205.20  135.608   58.050   1.0185   57.434   1.2163 0.6155205 1.586452 
1 1 1   -3   29   21 f   15.041   1.8980  226.554   53.578  179.564   75.148  275.133   76.408   13.288   2.9861   16.794   2.3438 -3.506075 3.796031 
1 1 1   -3   29   22 o   18.228   1.7252  334.111   57.823  246.253   81.645  422.523   81.903   15.635   2.7926   20.820   2.0265 -5.185065 3.450389 
1 1 1   -3   29   23 o   57.627   0.8463  3223.79   93.633  3197.23  123.378  3259.88  143.787   57.354   1.1082   57.900   1.2793 -0.5456657 1.692548 
1 1 1   -3   29   24 o   57.249   0.8522  3207.25   93.412  3317.70  123.609  3060.18  142.632   58.416   1.0901   56.082   1.3102 2.333961 1.704332 
1 1 1   -3   29   25 o   19.509   1.6810  374.841   63.220  384.590   85.239  362.922   94.252   19.806   2.2170   19.212   2.5273 0.5947208 3.361908 
1 1 1   -3   29   26 o   51.169   0.8951  2560.58   87.552  2603.02  114.779  2501.53  135.392   51.697   1.1437   50.640   1.3773 1.057285 1.790294 
1 1 1   -3   29   27 o   29.959   1.1887  886.253   68.548  952.256   93.506  809.573  100.786   31.196   1.5441   28.721   1.8077 2.474840 2.377417 
1 1 1   -3   29   28 o   23.086   1.4208  528.910   63.355  590.844   89.859  467.691   89.338   24.459   1.8926   21.713   2.1196 2.745491 2.841591 
1 1 1   -3   29   29 o   10.812   2.5526  115.000   64.097   78.318   87.746  156.969   93.856   9.5149   3.5459   12.109   3.6729 -2.593678 5.105227 
1 1 1   -3   29   30 o   26.418   1.4027  700.449   71.637  735.771   98.739  661.191  104.093   27.166   1.8724   25.670   2.0890 1.496645 2.805309 
1 1 1   -3   29   31 o   11.387   2.7411  141.293   72.525  145.293  100.543  136.954  104.715   11.499   3.8387   11.276   3.9141 0.2228060 5.482295 
1 1 1   -3   29   32 o   14.549   2.6285  268.141   84.942  103.790  139.092  365.890  107.268   10.658   4.3193   18.440   2.9967 -7.782013 5.257072 
1 1 1   -3   30    1 o  161.304   1.2619 25120.39  385.670 24631.49  492.063 25899.10  621.010  159.286   1.5914  163.323   1.9588 -4.037277 2.523762 
1 1 1   -3   30    2 o  281.653   1.7581 76935.22  926.338 76651.16  1162.83 77428.57  1532.46  280.964   2.1321  282.342   2.7961 -1.378326 3.516213 
1 1 1   -3   30    3 o  397.022   1.9004 153046.00  1441.53 152827.50  1878.66 153358.91  2247.94  396.701   2.4396  397.343   2.9144 -0.6421814 3.800733 
1 1 1   -3   30    4 o   83.431   1.5572  6705.50  151.893  6692.04  160.108  6826.65  480.351   83.031   0.9934   83.831   2.9518 -0.7994308 3.114493 
1 1 1   -3   30    5 o  324.289   1.7074 102069.50  1067.46 101573.50  1426.76 102700.20  1608.84  323.406   2.2727  325.171   2.5488 -1.764801 3.414881 
1 1 1   -3   30    6 o  243.831   1.5339 57734.90  717.032 57711.86  942.753 57766.53  1104.40  243.785   1.9922  243.877   2.3329 -0.9278870E-01 3.067729 
1 1 1   -3   30    7 o   57.012   0.7908  3162.27   87.302  3028.84  126.291  3284.38  120.817   55.857   1.1647   58.167   1.0700 -2.309357 1.581622 
1 1 1   -3   30    8 o   51.009   0.7184  2523.03   71.088  2650.52  102.302  2403.99   98.854   52.253   1.0086   49.764   1.0233 2.489525 1.436807 
1 1 1   -3   30    9 o  225.336   1.6351 49318.94  715.086 48658.69  999.928 50010.06  1023.04  223.794   2.3017  226.878   2.3229 -3.084290 3.270162 
1 1 1   -3   30   10 o  205.071   1.5809 40864.80  629.266 41650.34  891.545 40084.96  888.296  207.037   2.2184  203.105   2.2531 3.931458 3.161858 
1 1 1   -3   30   11 o  126.338   1.2147 15497.25  297.148 15581.06  436.408 15424.80  405.730  126.654   1.7750  126.023   1.6585 0.6306915 2.429300 
1 1 1   -3   30   12 o   80.061   0.9300  6219.89  144.467  6349.05  208.191  6099.94  200.634   80.862   1.3263   79.260   1.3040 1.601624 1.860016 
1 1 1   -3   30   13 o  145.375   1.3481 20529.31  378.998 20612.68  561.342 20459.46  513.779  145.639   1.9856  145.111   1.8239 0.5280609 2.696160 
1 1 1   -3   30   14 o   44.979   0.7736  1966.78   67.323  1936.00   98.900  1993.36   91.904   44.650   1.1411   45.309   1.0449 -0.6586227 1.547226 
1 1 1   -3   30   15 o  114.642   1.1889 12776.31  263.981 12708.18  386.034 12836.15  361.794  114.349   1.7391  114.934   1.6216 -0.5843124 2.377844 
1 1 1   -3   30   16 o  128.459   1.1122 16119.60  271.888 16479.85  353.491 15597.77  425.446  130.242   1.3982  126.676   1.7301 3.565674 2.224481 
1 1 1   -3   30   17 o  114.024   1.0728 12633.50  232.969 12622.77  301.553 12649.40  366.915  113.979   1.3629  114.069   1.6570 -0.9051514E-01 2.145545 
1 1 1   -3   30   18 o   63.813   0.7895  3989.10   96.071  4153.61  126.163  3762.06  148.217   65.398   0.9938   62.229   1.2270 3.168781 1.578977 
1 1 1   -3   30   19 o   37.739   0.8146  1387.40   59.510  1463.40   82.769  1306.07   85.623   38.813   1.0986   36.665   1.2030 2.148857 1.629146 
1 1 1   -3   30   20 o   57.993   0.7912  3290.26   87.840  3418.99  116.328  3119.50  133.984   59.328   1.0101   56.659   1.2182 2.668392 1.582494 
1 1 1   -3   30   21 o   43.784   0.8420  1865.84   71.127  1889.28   95.792  1837.05  106.185   44.094   1.1192   43.473   1.2583 0.6204681 1.683967 
1 1 1   -3   30   22 o   42.565   0.8705  1767.57   71.598  1839.89   97.993  1684.76  104.866   43.506   1.1603   41.623   1.2979 1.882431 1.740925 
1 1 1   -3   30   23 o   39.265   0.9391  1503.09   71.334  1645.02  100.860  1361.04  100.902   41.128   1.2633   37.403   1.3897 3.725796 1.878124 
1 1 1   -3   30   24 o   32.160   1.0766  1010.91   66.766  1040.06   90.171  975.539   99.336   32.682   1.4213   31.637   1.6175 1.044958 2.153236 
1 1 1   -3   30   25 o   12.488   2.4685  161.335   63.013  190.690   85.317  126.102   93.469   13.594   3.2725   11.383   3.6965 2.211279 4.936963 
1 1 1   -3   30   26 f   42.074   0.9380  1714.06   76.134  1618.73  101.138  1838.72  115.654   40.742   1.2788   43.406   1.3726 -2.664707 1.876007 
1 1 1   -3   30   27 o   45.258   0.9126  1996.78   79.955  1954.23  108.644  2047.06  118.094   44.742   1.2509   45.775   1.3290 -1.033333 1.825128 
1 1 1   -3   30   28 o   21.618   1.4995  464.430   62.926  468.416   89.263  460.492   88.721   21.711   2.1180   21.526   2.1233 0.1856747 2.999023 
1 1 1   -3   30   29 o   8.7895   2.5052   42.029   67.146   75.330   93.331   6.2989   96.676   9.5588   3.6362   8.0201   3.4470 1.538711 5.010384 
1 1 1   -3   30   30 o   30.499   1.3218  934.665   77.657  994.113  105.867  865.418  114.259   31.619   1.7248   29.379   2.0035 2.239933 2.643685 
1 1 1   -3   30   31 o   13.387   2.5723  194.977   72.591  108.267   97.342  303.609  108.954   10.321   3.7537   16.453   3.5179 -6.132446 5.144505 
1 1 1   -3   31    1 o   99.355   0.9435  9589.21  174.374  9605.24  217.550  9560.40  291.620   99.474   1.1266   99.236   1.5139 0.2376404 1.887080 
1 1 1   -3   31    2 o  133.555   1.5982 17217.42  323.213 17155.48  358.184 17488.97  749.961  132.935   1.3880  134.175   2.8794 -1.240356 3.196489 
1 1 1   -3   31    3 f  114.554   1.6151 12940.59  274.196 13050.68  302.926 12441.39  645.046  115.946   1.3459  113.162   2.9365 2.782990 3.230206 
1 1 1   -3   31    4 o   71.244   2.2179  4936.70  306.453  5083.85  428.883  4783.19  438.041   72.332   3.0545   70.156   3.2165 2.175774 4.435787 
1 1 1   -3   31    5 o  124.699   1.0888 15157.08  256.758 15369.06  329.194 14827.84  410.269  125.821   1.3478  123.577   1.7103 2.244194 2.177534 
1 1 1   -3   31    6 o   86.696   0.9011  7314.50  145.048  7358.17  180.747  7235.49  243.096   87.063   1.0695   86.328   1.4506 0.7345886 1.802264 
1 1 1   -3   31    7 f  114.355   1.1030 12704.98  234.878 12724.73  293.426 12669.77  391.872  114.485   1.3203  114.225   1.7673 0.2597656 2.206073 
1 1 1   -3   31    8 o   41.865   0.6877  1701.88   55.858  1685.25   80.063  1717.66   77.968   41.665   0.9899   42.064   0.9549 -0.3990326 1.375373 
1 1 1   -3   31    9 f  111.314   1.1604 12030.92  250.692 11913.96  350.156 12153.91  359.077  110.759   1.6286  111.868   1.6535 -1.108757 2.320897 
1 1 1   -3   31   10 o   13.594   1.5254  184.233   38.856  163.467   57.071  202.176   53.050   12.762   2.3915   14.426   1.8943 -1.664163 3.050896 
1 1 1   -3   31   11 o   75.080   0.8959  5472.11  130.525  5512.69  187.539  5433.98  181.777   75.349   1.2822   74.810   1.2517 0.5392303 1.791879 
1 1 1   -3   31   12 o   51.782   0.7295  2599.48   73.276  2726.03  105.924  2483.33  101.474   52.988   1.0298   50.575   1.0336 2.413841 1.459051 
1 1 1   -3   31   13 o   31.214   0.7925  946.455   47.994  934.632   68.758  957.689   67.023   31.024   1.1417   31.405   1.0994 -0.3809071 1.585012 
1 1 1   -3   31   14 o  158.615   1.4053 24390.12  430.063 25071.36  648.642 23855.74  574.490  160.573   2.0810  156.657   1.8892 3.915817 2.810587 
1 1 1   -3   31   15 o   41.612   0.7756  1682.86   62.601  1644.06   89.740  1719.64   87.369   41.144   1.1236   42.081   1.0696 -0.9363022 1.551274 
1 1 1   -3   31   16 o   71.369   0.9221  4949.73  127.696  4832.98  181.399  5064.41  179.791   70.533   1.3249   72.204   1.2827 -1.671043 1.844103 
1 1 1   -3   31   17 o   18.418   1.3290  329.935   46.938  264.860   64.712  402.180   68.184   16.499   2.0205   20.338   1.7271 -3.838772 2.658085 
1 1 1   -3   31   18 o   72.133   0.8423  5028.98  114.394  4950.93  144.559  5159.75  187.104   71.396   1.0431   72.870   1.3227 -1.474449 1.684502 
1 1 1   -3   31   19 o   99.596   1.0459  9620.15  195.791  9552.15  247.237  9734.53  320.638   99.145   1.2846  100.048   1.6510 -0.9027328 2.091891 
1 1 1   -3   31   20 o   43.896   0.8127  1866.09   68.932  1811.51   92.553  1934.09  103.301   43.179   1.1042   44.612   1.1929 -1.433071 1.625476 
1 1 1   -3   31   21 o   20.276   1.4706  399.571   57.793  380.966   79.100  420.876   84.647   19.772   2.0609   20.781   2.0984 -1.008348 2.941180 
1 1 1   -3   31   22 o   46.259   0.8439  2080.26   75.616  2080.70  103.597  2079.77  110.622   46.266   1.1535   46.251   1.2321 0.1512527E-01 1.687806 
1 1 1   -3   31   23 o   69.729   0.9066  4732.35  120.381  4745.17  155.912  4713.42  189.430   69.861   1.1497   69.597   1.4021 0.2633743 1.813225 
1 1 1   -3   31   24 o   29.108   1.2040  820.930   67.775  759.989   91.154  896.274  101.354   27.911   1.6824   30.306   1.7228 -2.395634 2.408059 
1 1 1   -3   31   25 o   64.688   0.9144  4111.69  111.788  4236.31  143.849  3921.68  177.625   65.967   1.1233   63.409   1.4431 2.558346 1.828759 
1 1 1   -3   31   26 o   33.302   1.0535  1085.18   68.020  1124.20   95.098  1044.31   97.330   33.923   1.4441   32.682   1.5342 1.241158 2.106955 
1 1 1   -3   31   27 o   34.878   1.0246  1192.32   69.291  1231.76   96.896  1151.05   99.126   35.477   1.4070   34.278   1.4897 1.199055 2.049113 
1 1 1   -3   31   28 f   9.9200   2.5645   88.737   64.346   86.430   92.916   90.863   89.195   9.8945   3.6564   9.9455   3.5968 -0.5092049E-01 5.129001 
1 1 1   -3   31   29 o   40.053   1.0238  1569.96   79.340  1464.81  107.018  1698.29  118.225   38.580   1.4290   41.526   1.4666 -2.945866 2.047680 
1 1 1   -3   31   30 o   26.832   1.4591  718.783   75.620  668.120  100.985  783.458  114.098   25.785   2.0175   27.879   2.1083 -2.093401 2.918126 
1 1 1   -3   31   31 o   13.298   2.8160  213.193   84.040  116.890  131.333  279.970  109.361   10.959   4.2752   15.637   3.6664 -4.677998 5.632056 
1 1 1   -3   32    1 o   94.291   0.9239  8681.00  162.379  8813.41  203.837  8451.05  268.623   95.284   1.1020   93.299   1.4832 1.985252 1.847808 
1 1 1   -3   32    2 o  226.939   1.7296 49894.00  708.674 49669.17  856.180 50383.18  1262.91  226.161   1.9502  227.717   2.8570 -1.555267 3.459159 
1 1 1   -3   32    3 o  237.124   1.7368 54694.39  754.619 54851.41  926.004 54383.94  1302.02  237.663   2.0072  236.585   2.8351 1.077576 3.473687 
1 1 1   -3   32    4 o  125.048   1.6617 15540.89  305.975 15735.65  337.805 14651.07  722.041  127.312   1.3669  122.785   3.0294 4.527122 3.323467 
1 1 1   -3   32    5 o  284.002   1.6463 78199.77  898.527 77328.61  1186.42 79371.49  1375.96  282.166   2.1661  285.838   2.4798 -3.672546 3.292610 
1 1 1   -3   32    6 o  163.953   1.2918 26180.06  401.149 26456.46  515.257 25754.73  639.187  165.065   1.6081  162.841   2.0221 2.223923 2.583538 
1 1 1   -3   32    7 o   31.414   0.6578  952.519   38.866  936.529   49.013  979.608   63.793   31.061   0.8129   31.766   1.0345 -0.7051029 1.315692 
1 1 1   -3   32    8 o  196.150   1.5579 37386.21  592.978 37464.15  828.239 37304.25  849.353  196.363   2.1729  195.938   2.2331 0.4253387 3.115765 
1 1 1   -3   32    9 o   34.979   0.7141  1188.27   48.471  1163.97   68.986  1211.96   68.119   34.626   1.0264   35.333   0.9932 -0.7069321 1.428219 
1 1 1   -3   32   10 o   97.040   1.0775  9145.67  202.955  9245.31  286.167  9044.84  287.885   97.572   1.5109   96.508   1.5367 1.064537 2.155046 
1 1 1   -3   32   11 o  180.291   1.4382 31551.41  500.835 31909.45  748.444 31261.08  673.970  181.207   2.1277  179.375   1.9356 1.831329 2.876423 
1 1 1   -3   32   12 o   89.948   1.0025  7853.47  174.697  7931.55  255.754  7785.17  239.194   90.365   1.4580   89.531   1.3763 0.8341141 2.004982 
1 1 1   -3   32   13 o   70.182   0.8669  4782.87  118.037  4808.22  169.958  4759.24  164.057   70.361   1.2443   70.004   1.2073 0.3579407 1.733765 
1 1 1   -3   32   14 o   18.081   1.3479  328.388   45.309  223.459   64.810  428.699   63.368   15.157   2.2028   21.005   1.5541 -5.848186 2.695836 
1 1 1   -3   32   15 o   73.789   0.9350  5290.45  133.890  5229.53  191.007  5349.29  187.733   73.371   1.3411   74.208   1.3032 -0.8372040 1.870022 
1 1 1   -3   32   16 o  167.652   1.5751 27279.00  502.830 27772.88  795.598 26950.52  648.849  168.867   2.4271  166.438   2.0083 2.428497 3.150231 
1 1 1   -3   32   17 o   80.669   0.8831  6332.40  134.513  6366.74  171.635  6277.71  216.566   80.962   1.0921   80.375   1.3880 0.5864029 1.766164 
1 1 1   -3   32   18 o   48.171   0.7492  2266.01   69.432  2357.67   93.336  2152.46  103.893   49.270   0.9759   47.071   1.1370 2.198479 1.498384 
1 1 1   -3   32   19 o   56.718   0.7898  3143.52   85.390  3227.55  111.560  3024.66  132.689   57.644   0.9970   55.792   1.2252 1.852165 1.579579 
1 1 1   -3   32   20 o   30.733   0.9749  914.147   58.022  838.655   79.178  1001.70   85.271   29.369   1.3888   32.098   1.3686 -2.728998 1.949834 
1 1 1   -3   32   21 o   66.963   0.8515  4356.43  108.594  4345.41  140.482  4372.79  171.177   66.868   1.0823   67.058   1.3150 -0.1900177 1.703098 
1 1 1   -3   32   22 o   15.531   2.0477  244.602   59.264  137.996   81.320  365.360   86.550   11.719   3.3850   19.342   2.3052 -7.622879 4.095365 
1 1 1   -3   32   23 o   53.642   0.8633  2793.72   88.762  2767.36  116.387  2830.37  137.230   53.349   1.1239   53.935   1.3107 -0.5863495 1.726586 
1 1 1   -3   32   24 o   31.900   1.1025  994.422   68.119  1029.66   94.389  956.124   98.407   32.497   1.4963   31.303   1.6195 1.194063 2.204921 
1 1 1   -3   32   25 o   40.402   0.9900  1569.83   77.059  1405.97  101.729  1790.41  118.034   37.966   1.3803   42.837   1.4195 -4.871220 1.979949 
1 1 1   -3   32   26 o   24.757   1.3506  602.696   64.788  559.683   91.430  646.077   91.819   23.859   1.9741   25.655   1.8437 -1.796431 2.701169 
1 1 1   -3   32   27 o   44.008   0.9323  1894.35   79.266  1886.96  106.940  1903.36  118.087   43.929   1.2541   44.086   1.3799 -0.1562157 1.864594 
1 1 1   -3   32   28 o   33.300   1.1116  1096.90   71.536  1198.02  100.302  992.209  102.057   34.896   1.4807   31.703   1.6583 3.192650 2.223181 
1 1 1   -3   32   29 o   31.160   1.2282  976.879   72.765  1190.01  102.420  759.660  103.398   34.720   1.5196   27.599   1.9300 7.121033 2.456416 
1 1 1   -3   32   30 o   35.426   1.1908  1245.88   81.747  1154.37  112.437  1348.49  119.062   34.040   1.7016   36.811   1.6662 -2.770508 2.381523 
1 1 1   -3   32   31 o   19.339   2.4162  426.005   85.030  369.709  134.643  463.352  109.665   17.688   4.0135   20.990   2.6915 -3.302214 4.832440 
1 1 1   -3   33    1 o   86.868   0.8913  7309.96  142.443  7276.54  175.200  7375.13  244.657   86.579   1.0425   87.157   1.4461 -0.5783768 1.782645 
1 1 1   -3   33    2 o  122.774   1.5970 14291.42  285.104 14118.59  311.807 15172.80  704.137  120.593   1.3320  124.954   2.9030 -4.361328 3.193951 
1 1 1   -3   33    3 o   57.242   1.9464  3146.32   87.447  3142.85   89.353  3225.13  425.620   56.901   0.8089   57.582   3.8078 -0.6802330 3.892770 
1 1 1   -3   33    4 o   93.537   1.6855  8491.57  186.792  8489.44  197.323  8509.92  579.542   93.515   1.0870   93.559   3.1910 -0.4458618E-01 3.371101 
1 1 1   -3   33    5 o   17.170   1.0664  278.605   34.630  254.802   43.544  319.569   57.122   16.200   1.3847   18.141   1.6221 -1.941269 2.132753 
1 1 1   -3   33    6 o  150.377   1.2573 22003.92  354.933 22126.84  448.780 21798.61  579.990  150.952   1.5315  149.803   1.9945 1.148926 2.514698 
1 1 1   -3   33    7 o  116.671   1.0917 13307.84  239.310 13584.58  304.190 12858.39  387.659  118.282   1.3248  115.060   1.7356 3.221512 2.183491 
1 1 1   -3   33    8 o   43.316   0.6208  1816.67   50.130  1804.59   62.596  1838.28   83.707   43.116   0.7479   43.515   0.9910 -0.3983307 1.241511 
1 1 1   -3   33    9 o  110.069   1.1857 11771.39  253.202 11929.26  353.530 11605.12  362.813  110.828   1.6433  109.309   1.7099 1.518982 2.371492 
1 1 1   -3   33   10 f  122.294   1.2632 14532.14  299.754 14692.85  419.451 14364.39  428.528  122.987   1.7569  121.601   1.8154 1.385803 2.526379 
1 1 1   -3   33   11 o   31.771   0.7865  979.542   48.491  1000.78   69.710  959.633   67.498   32.104   1.1186   31.437   1.1061 0.6667213 1.573083 
1 1 1   -3   33   12 f   64.369   0.8226  4023.81  102.784  3998.11  145.762  4049.23  144.958   64.164   1.1703   64.573   1.1564 -0.4093399 1.645270 
1 1 1   -3   33   13 o   30.900   0.7860  927.542   47.125  902.460   66.881  952.271   66.410   30.484   1.1302   31.315   1.0925 -0.8305378 1.571915 
1 1 1   -3   33   14 o  150.913   1.3748 22128.45  401.220 22340.44  595.219 21951.92  543.168  151.564   2.0231  150.263   1.8622 1.300827 2.749650 
1 1 1   -3   33   15 o   9.5601   1.9272   86.774   45.800 -20.5642   72.716  157.355   58.965   6.6307   2.9173   12.490   2.5190 -5.858872 3.854361 
1 1 1   -3   33   16 o   40.574   0.8434  1606.86   65.905  1530.99   98.245  1668.93   88.865   39.697   1.2750   41.452   1.1044 -1.754944 1.686771 
1 1 1   -3   33   17 o   44.944   0.7505  1965.20   64.859  1986.14   86.258  1937.96   98.381   45.222   0.9826   44.666   1.1347 0.5565071 1.501012 
1 1 1   -3   33   18 o   53.342   0.7620  2771.01   78.088  2815.18  103.725  2713.24  118.636   53.837   0.9925   52.846   1.1565 0.9904900 1.523980 
1 1 1   -3   33   19 o   33.259   0.8998  1059.67   57.549  968.733   75.345  1187.02   89.162   31.573   1.2294   34.946   1.3144 -3.373394 1.799688 
1 1 1   -3   33   20 o   36.179   0.8720  1273.21   61.082  1287.06   83.693  1257.43   89.349   36.392   1.1847   35.966   1.2798 0.4252281 1.743959 
1 1 1   -3   33   21 o   98.724   1.0824  9475.06  200.883  9446.30  254.025  9523.06  328.200   98.556   1.3278   98.891   1.7097 -0.3352280 2.164725 
1 1 1   -3   33   22 f   78.517   0.9309  6028.98  139.023  6166.81  180.622  5828.62  217.763   79.642   1.1683   77.391   1.4495 2.250320 1.861754 
1 1 1   -3   33   23 o   33.166   1.0234  1070.58   65.854  1049.78   91.470  1092.96   94.887   32.832   1.4352   33.499   1.4592 -0.6665382 2.046709 
1 1 1   -3   33   24 o   10.118   2.3885   85.660   60.106  153.203   84.569   16.715   85.442   12.231   3.4256   8.0061   3.3294 4.224463 4.776991 
1 1 1   -3   33   25 o   30.822   1.1503  929.058   68.562  825.388   95.601  1038.84   98.381   29.041   1.6958   32.602   1.5545 -3.560976 2.300502 
1 1 1   -3   33   26 o   60.094   1.0109  3537.16  117.369  3464.58  173.652  3598.21  159.252   59.502   1.5034   60.686   1.3519 -1.184052 2.021844 
1 1 1   -3   33   27 o   32.557   1.0951  1040.83   69.126  1113.67   99.073  971.731   96.495   33.675   1.5156   31.439   1.5811 2.235298 2.190219 
1 1 1   -3   33   28 o   24.766   1.4087  609.782   67.697  599.461   94.137  620.836   97.424   24.554   1.9750   24.978   2.0093 -0.4235077 2.817444 
1 1 1   -3   33   29 o   8.5891   2.4275   23.492   68.144 -68.7609   98.423  108.432   94.441   6.7469   3.1324   10.431   3.7093 -3.684444 4.855003 
1 1 1   -3   33   30 o   9.8849   2.5601   70.154   72.172 -25.5318  100.339  172.725  103.887   7.4193   3.3349   12.351   3.8852 -4.931255 5.120202 
1 1 1   -3   33   31 o   15.203   2.8418  278.906   85.297  259.220  125.371  295.872  116.387   14.562   4.2021   15.845   3.8271 -1.282859 5.683680 
1 1 1   -3   34    1 o  118.107   1.0991 13571.23  241.576 13638.42  301.815 13451.44  402.996  118.522   1.3118  117.693   1.7639 0.8294601 2.198273 
1 1 1   -3   34    2 o  122.997   1.6988 15081.01  306.374 15290.09  337.995 14117.84  725.453  125.491   1.3875  120.502   3.1013 4.988754 3.397558 
1 1 1   -3   34    3 o   49.069   2.4212  2690.80   79.546  2716.77   81.016  1994.49  419.518   52.903   0.7889   45.234   4.7777 7.668987 4.842366 
1 1 1   -3   34    4 o   62.424   1.8392  3843.02  101.905  3850.05  104.899  3725.00  429.596   62.977   0.8581   61.870   3.5770 1.107227 3.678449 
1 1 1   -3   34    5 o   93.238   0.9184  8455.42  159.046  8491.24  198.207  8390.66  266.515   93.521   1.0918   92.956   1.4770 0.5657349 1.836728 
1 1 1   -3   34    6 o  154.133   1.2936 23144.42  375.461 23360.81  477.438 22793.71  607.832  155.095   1.5858  153.171   2.0443 1.924149 2.587267 
1 1 1   -3   34    7 o  157.634   1.3172 24207.93  392.109 24446.01  500.958 23831.37  630.019  158.653   1.6266  156.615   2.0723 2.038101 2.634461 
1 1 1   -3   34    8 o   40.896   0.6476  1623.98   49.946  1625.17   63.514  1622.06   80.851   40.917   0.7997   40.875   1.0190 0.4107285E-01 1.295273 
1 1 1   -3   34    9 o  180.969   1.5509 31822.89  544.506 31714.70  756.370 31939.27  784.495  180.654   2.1569  181.285   2.2293 -0.6309204 3.101886 
1 1 1   -3   34   10 o  126.397   1.3152 15515.40  322.588 16045.19  461.831 15010.66  450.785  128.504   1.8514  124.291   1.8684 4.212982 2.630311 
1 1 1   -3   34   11 o  110.488   1.1943 11862.46  256.128 12027.16  362.024 11697.40  362.416  111.257   1.6763  109.719   1.7016 1.537628 2.388591 
1 1 1   -3   34   12 o   56.632   0.7791  3115.01   85.631  3078.37  121.885  3150.73  120.330   56.302   1.1152   56.961   1.0883 -0.6586609 1.558202 
1 1 1   -3   34   13 o   37.559   0.7631  1370.91   55.577  1443.62   78.608  1298.24   78.587   38.556   1.0503   36.562   1.1073 1.993946 1.526150 
1 1 1   -3   34   14 o   66.778   0.8649  4324.79  111.973  4457.80  163.257  4206.62  153.868   67.745   1.2414   65.810   1.2045 1.934784 1.729713 
1 1 1   -3   34   15 o  104.939   1.1681 10708.37  237.459 10665.78  346.726 10745.99  325.878  104.737   1.7054  105.142   1.5967 -0.4043732 2.336162 
1 1 1   -3   34   16 o  162.998   1.6119 25872.10  506.292 25859.24  763.303 25882.20  676.534  162.930   2.4134  163.066   2.1373 -0.1361694 3.223740 
1 1 1   -3   34   17 o   67.965   0.8137  4472.89  104.779  4421.59  133.902  4553.92  168.281   67.471   1.0224   68.460   1.2663 -0.9890594 1.627490 
1 1 1   -3   34   18 o   60.792   0.7797  3591.00   90.626  3594.47  118.379  3586.09  140.863   60.832   1.0025   60.751   1.1945 0.8070374E-01 1.559401 
1 1 1   -3   34   19 o   58.427   0.7918  3325.73   87.849  3359.08  113.356  3275.58  139.004   58.802   0.9931   58.052   1.2335 0.7498398 1.583593 
1 1 1   -3   34   20 o   94.403   1.0148  8635.61  180.542  8534.05  228.681  8803.67  294.159   93.693   1.2574   95.114   1.5932 -1.421547 2.029595 
1 1 1   -3   34   21 o   54.255   0.8390  2867.25   87.178  2897.34  114.650  2826.00  134.229   54.600   1.0817   53.910   1.2827 0.6908188 1.677903 
1 1 1   -3   34   22 o   17.196   1.7598  288.417   58.573  277.233   79.321  301.828   86.860   16.834   2.4274   17.558   2.5485 -0.7237892 3.519547 
1 1 1   -3   34   23 o   12.489   2.2956  159.156   57.139  117.989   79.817  202.429   81.834   10.927   3.4004   14.051   3.0848 -3.123951 4.591103 
1 1 1   -3   34   24 o   34.668   1.0212  1171.80   68.293  1167.27   91.524  1177.49  102.582   34.602   1.3626   34.734   1.5214 -0.1321564 2.042393 
1 1 1   -3   34   25 o   44.812   0.9284  1962.69   80.041  1983.78  106.662  1935.52  121.095   45.105   1.2182   44.520   1.4012 0.5852814 1.856743 
1 1 1   -3   34   26 o   28.210   1.2362  781.024   67.647  747.101   93.699  817.955   97.764   27.570   1.7508   28.849   1.7457 -1.278786 2.472404 
1 1 1   -3   34   27 o   22.370   1.7470  524.666   72.272  393.795  110.350  622.966   95.637   19.680   2.8885   25.060   1.9660 -5.379868 3.494079 
1 1 1   -3   34   28 o   23.872   1.7003  546.912   76.707  704.867  127.555  457.429   96.007   26.412   2.4879   21.333   2.3184 5.079708 3.400667 
1 1 1   -3   34   29 o   25.470   1.4373  654.258   70.694  719.282   99.162  587.054  100.811   26.814   1.9051   24.125   2.1526 2.689018 2.874590 
1 1 1   -3   34   30 o   16.585   2.7293  318.156   85.280  309.804  133.227  323.953  111.000   16.156   4.2067   17.013   3.4784 -0.8573380 5.458553 
1 1 1   -3   35    1 o  102.319   1.0002 10140.29  190.086 10078.96  236.280 10252.80  320.033  101.888   1.1946  102.750   1.6045 -0.8620071 2.000424 
1 1 1   -3   35    2 o   39.262   2.2678  1233.87   56.324  1220.46   56.978  1808.04  372.802   35.458   0.8278   43.066   4.4595 -7.607872 4.535644 
1 1 1   -3   35    3 o   64.515   2.0546  4510.96  114.982  4571.73  118.578  3554.58  470.400   68.625   0.8901   60.406   4.0117 8.219452 4.109230 
1 1 1   -3   35    4 o   97.204   1.7350  9227.37  202.861  9239.42  214.822  9128.11  616.560   97.553   1.1344   96.855   3.2793 0.6974487 3.470018 
1 1 1   -3   35    5 o  166.758   2.2395 27742.29  513.947 28039.71  558.202 26086.58  1317.05  169.911   1.6924  163.605   4.1470 6.304947 4.479080 
1 1 1   -3   35    6 o  157.008   1.2957 23922.09  384.200 23845.12  489.263 24045.88  620.513  156.693   1.6085  157.322   2.0319 -0.6295319 2.591494 
1 1 1   -3   35    7 o  117.996   1.0844 13550.18  239.201 13629.70  300.711 13413.17  394.708  118.478   1.3075  117.515   1.7303 0.9629364 2.168756 
1 1 1   -3   35    8 o   47.660   0.7336  2204.03   67.854  2144.27   94.692  2267.10   97.282   46.996   1.0380   48.323   1.0371 -1.327362 1.467286 
1 1 1   -3   35    9 o   98.362   1.1001  9397.88  210.026  9409.67  294.700  9385.71  299.398   98.425   1.5424   98.298   1.5691 0.1266632 2.200248 
1 1 1   -3   35   10 o   58.453   0.7992  3311.39   90.583  3187.70  124.468  3450.65  132.076   57.295   1.1191   59.611   1.1414 -2.315681 1.598498 
1 1 1   -3   35   11 o   34.554   0.7518  1158.33   50.389  1131.77   69.685  1187.44   72.948   34.140   1.0515   34.969   1.0746 -0.8293076 1.503514 
1 1 1   -3   35   12 o  110.200   1.2011 11803.04  256.183 11794.84  377.031 11810.07  349.166  110.159   1.7632  110.242   1.6316 -0.8231354E-01 2.402280 
1 1 1   -3   35   13 o  129.514   1.2871 16288.20  322.507 16529.60  477.557 16085.81  437.286  130.387   1.8868  128.641   1.7511 1.746719 2.574199 
1 1 1   -3   35   14 o   51.710   0.7849  2594.51   78.744  2694.68  113.398  2501.22  109.430   52.673   1.1091   50.747   1.1109 1.925949 1.569725 
1 1 1   -3   35   15 o   66.988   0.8915  4356.61  115.727  4410.64  169.138  4309.06  158.688   67.377   1.2932   66.600   1.2275 0.7770615 1.782973 
1 1 1   -3   35   16 o  116.269   1.3135 13140.77  295.331 13259.38  438.098 13041.97  399.841  116.738   1.9333  115.799   1.7788 0.9393463 2.627075 
1 1 1   -3   35   17 o   64.309   0.7966  4012.47   97.552  3991.16  126.083  4044.24  153.982   64.102   1.0133   64.515   1.2295 -0.4134827 1.593255 
1 1 1   -3   35   18 o   82.826   0.9096  6688.63  142.102  6758.15  181.237  6577.70  228.946   83.401   1.1195   82.252   1.4339 1.148529 1.819148 
1 1 1   -3   35   19 o   76.565   0.8947  5674.92  129.658  5595.34  165.339  5802.01  208.951   75.883   1.1224   77.247   1.3935 -1.364532 1.789310 
1 1 1   -3   35   20 o   40.119   0.8679  1563.49   67.536  1533.19   93.244  1596.93   97.950   39.712   1.2096   40.527   1.2451 -0.8150864 1.735887 
1 1 1   -3   35   21 f   53.101   0.8350  2730.12   84.912  2674.47  110.817  2809.25  132.147   52.455   1.0883   53.747   1.2666 -1.291668 1.669944 
1 1 1   -3   35   22 f   40.834   0.9223  1620.62   72.266  1610.03   95.109  1635.10  111.156   40.684   1.2043   40.984   1.3972 -0.2998695 1.844585 
1 1 1   -3   35   23 o   40.048   0.9137  1570.09   70.666  1706.50   98.288  1424.12  101.671   41.867   1.2094   38.230   1.3700 3.636951 1.827443 
1 1 1   -3   35   24 o   26.279   1.2664  669.536   64.152  624.091   84.879  730.082   97.972   25.256   1.7313   27.302   1.8486 -2.045410 2.532700 
1 1 1   -3   35   25 o   8.1722   2.3470   27.427   59.043   1.6767   83.953   52.629   83.053   7.5486   3.2274   8.7957   3.4085 -1.247121 4.693987 
1 1 1   -3   35   26 o   16.087   2.0208  267.923   60.185  367.220   87.297  177.970   83.089   19.204   2.3418   12.969   3.2941 6.234891 4.041610 
1 1 1   -3   35   27 o   21.759   1.5857  476.627   65.946  578.476   94.281  379.066   92.275   24.112   2.0143   19.405   2.4496 4.706978 3.171403 
1 1 1   -3   35   28 o   32.909   1.2822  1066.26   80.199  1124.77  128.490  1028.91  102.650   33.573   1.9716   32.246   1.6399 1.326180 2.564457 
1 1 1   -3   35   29 o   8.9263   2.7838 -57.9832   86.141  120.009  165.800 -123.7916  100.815   11.725   4.7283   6.1281   2.9395 5.596455 5.567572 
1 1 1   -3   35   30 o   12.832   2.9609  190.588   83.141  216.989  133.754  173.964  106.137   13.408   4.4253   12.255   3.9350 1.152873 5.921793 
1 1 1   -3   36    1 o  167.050   1.3461 27080.78  426.216 26981.23  546.200 27235.78  681.545  166.673   1.6882  167.426   2.0970 -0.7534027 2.692125 
1 1 1   -3   36    2 o  158.147   1.7272 24254.57  438.208 24211.97  495.515 24407.44  938.691  157.893   1.6167  158.401   3.0528 -0.5088959 3.454464 
1 1 1   -3   36    3 o   17.749   3.3855  261.704   46.343  260.143   46.913  324.819  298.284   16.367   1.4766   19.130   6.6080 -2.762850 6.770943 
1 1 1   -3   36    4 o   15.686   3.4193   41.609   42.770   30.165   43.188  625.322  308.440   6.5747   2.4801   24.798   6.3730 -18.22299 6.838539 
1 1 1   -3   36    5 o   70.601   2.1974  5100.29  129.696  5128.80  133.178  4576.40  570.887   72.685   0.9439   68.517   4.2923 4.167717 4.394810 
1 1 1   -3   36    6 o   32.187   0.6902  1018.38   41.442  1054.12   52.370  958.519   67.782   32.953   0.8187   31.421   1.1113 1.531944 1.380322 
1 1 1   -3   36    7 o  116.319   1.0865 13125.28  236.277 13083.42  296.372 13198.30  391.395  116.075   1.3153  116.563   1.7298 -0.4879456 2.173069 
1 1 1   -3   36    8 o  112.420   1.0659 12226.68  222.839 12106.85  277.164 12445.73  374.752  111.656   1.2788  113.184   1.7057 -1.528244 2.131785 
1 1 1   -3   36    9 o   88.708   1.0326  7641.07  177.742  7553.67  247.253  7734.54  255.691   88.184   1.4444   89.231   1.4762 -1.047935 2.065270 
1 1 1   -3   36   10 o  124.360   1.3093 15035.35  316.000 15380.09  446.250 14688.63  447.535  125.793   1.8275  122.928   1.8755 2.864838 2.618615 
1 1 1   -3   36   11 o   59.827   0.8044  3476.01   93.412  3472.32  131.726  3479.74  132.488   59.795   1.1349   59.859   1.1402 -0.6365204E-01 1.608709 
1 1 1   -3   36   12 o  100.601   1.0920  9837.52  213.147  9724.58  305.358  9944.85  297.660  100.036   1.5725  101.166   1.5157 -1.130974 2.184065 
1 1 1   -3   36   13 o  131.185   1.3233 16676.74  335.644 17348.44  501.255 16130.76  451.915  133.564   1.9333  128.807   1.8074 4.756744 2.646590 
1 1 1   -3   36   14 o   65.960   0.8745  4227.29  111.957  4166.71  158.922  4286.99  157.748   65.490   1.2501   66.430   1.2233 -0.9398956 1.749071 
1 1 1   -3   36   15 o  155.924   1.5953 23615.96  479.034 24120.63  728.058 23230.69  636.124  157.360   2.3835  154.488   2.1212 2.872498 3.190665 
1 1 1   -3   36   16 f  142.591   1.5193 19759.51  418.384 20162.84  626.948 19435.68  561.772  143.880   2.2447  141.303   2.0481 2.576965 3.038664 
1 1 1   -3   36   17 o   24.897   1.0001  602.615   48.324  604.348   67.698  600.816   69.002   24.934   1.3987   24.861   1.4298 0.7382584E-01 2.000172 
1 1 1   -3   36   18 o   44.711   0.7891  1942.77   68.078  1944.46   91.419  1940.66  102.003   44.736   1.0527   44.687   1.1759 0.4941940E-01 1.578274 
1 1 1   -3   36   19 o   47.458   0.8246  2190.34   75.467  2200.84  101.237  2177.20  113.219   47.590   1.0959   47.326   1.2324 0.2639122 1.649178 
1 1 1   -3   36   20 o   95.289   1.0804  8885.24  192.143  9019.89  241.651  8653.75  316.837   96.311   1.2925   94.267   1.7315 2.044853 2.160703 
1 1 1   -3   36   21 o   39.145   0.9017  1474.92   68.038  1367.04   89.954  1619.14  104.008   37.492   1.2360   40.798   1.3133 -3.305504 1.803462 
1 1 1   -3   36   22 o   41.391   0.9159  1652.85   73.260  1488.81   98.401  1856.84  109.734   39.107   1.2962   43.674   1.2943 -4.567104 1.831810 
1 1 1   -3   36   23 o   40.459   0.9443  1602.26   73.707  1671.25  100.228  1521.01  108.772   41.422   1.2465   39.496   1.4187 1.926296 1.888518 
1 1 1   -3   36   24 o   19.025   1.6161  356.795   59.680  353.934   84.690  359.617   84.113   18.947   2.3026   19.103   2.2682 -0.1558990 3.232157 
1 1 1   -3   36   25 o   18.033   1.7201  320.830   60.050  351.713   88.684  294.682   81.604   18.831   2.4261   17.235   2.4392 1.596220 3.440261 
1 1 1   -3   36   26 o   12.236   2.4385  158.234   60.593  139.445   84.120  178.496   87.355   11.533   3.4724   12.939   3.4245 -1.405628 4.876998 
1 1 1   -3   36   27 o   14.965   2.3003  239.425   64.914  238.286   91.948  240.557   91.657   14.924   3.2647   15.005   3.2414 -0.8096123E-01 4.600540 
1 1 1   -3   36   28 o   10.010   2.5847   89.633   67.506   44.989   94.964  135.237   95.980   8.7358   3.5583   11.284   3.7499 -2.547960 5.169438 
1 1 1   -3   36   29 o   26.684   1.7483  786.578   81.828  566.185  136.238  910.952  102.344   23.165   3.0297   30.202   1.7457 -7.037594 3.496662 
1 1 1   -3   36   30 f   16.210   2.6791  303.986   82.144  338.508  126.050  278.502  108.298   16.931   3.9136   15.489   3.6599 1.441679 5.358291 
1 1 1   -3   37    1 o  149.596   1.6928 21397.51  398.408 21153.95  446.220 22354.83  884.663  147.589   1.5575  151.602   3.0061 -4.013168 3.385650 
1 1 1   -3   37    2 o  104.480   1.8558 11088.67  241.677 11241.55  258.094 10000.29  688.631  107.601   1.2356  101.358   3.5000 6.243073 3.711675 
1 1 1   -3   37    3 o   98.547   1.8779  9725.94  218.182  9801.99  230.821  9088.00  668.521  100.477   1.1834   96.617   3.5645 3.860306 3.755817 
1 1 1   -3   37    4 o  114.103   1.9401 13353.36  286.615 13607.06  308.412 11746.46  776.188  118.377   1.3421  109.829   3.6407 8.548103 3.880219 
1 1 1   -3   37    5 o  194.597   1.8083 36806.51  597.977 36792.66  694.356 36846.26  1176.49  194.610   1.8380  194.585   3.1147 0.2464294E-01 3.616575 
1 1 1   -3   37    6 o   59.148   0.7112  3402.59   78.363  3417.88   98.021  3375.52  130.446   59.335   0.8510   58.961   1.1397 0.3739128 1.422389 
1 1 1   -3   37    7 o   63.509   0.7251  3889.78   85.138  3831.06  105.029  4002.31  145.390   62.818   0.8613   64.200   1.1666 -1.381863 1.450127 
1 1 1   -3   37    8 o   98.590   0.9861  9452.23  180.203  9478.28  223.925  9404.35  303.567   98.794   1.1676   98.386   1.5895 0.4084167 1.972268 
1 1 1   -3   37    9 o   95.271   0.9738  8880.92  172.264  9042.96  215.386  8593.26  286.974   96.498   1.1498   94.045   1.5720 2.452774 1.947610 
1 1 1   -3   37   10 f   89.921   1.0537  7854.11  183.874  7793.28  256.465  7918.44  263.761   89.564   1.4751   90.278   1.5051 -0.7145767 2.107439 
1 1 1   -3   37   11 o  101.802   1.1551 10070.97  228.227 10123.15  326.368 10021.04  319.271  102.059   1.6474  101.546   1.6197 0.5137863 2.310246 
1 1 1   -3   37   12 o   82.616   0.9966  6630.90  159.816  6706.18  227.008  6556.92  225.033   83.081   1.4076   82.151   1.4111 0.9299698 1.993133 
1 1 1   -3   37   13 o   52.899   0.7877  2718.46   80.866  2697.31  115.462  2738.83  113.291   52.696   1.1287   53.102   1.0991 -0.4050980 1.575433 
1 1 1   -3   37   14 o   46.446   0.7829  2095.64   70.574  2084.72  100.738  2106.16   98.901   46.327   1.1202   46.566   1.0941 -0.2384605 1.565871 
1 1 1   -3   37   15 o   54.888   0.8341  2927.55   88.813  2906.03  127.622  2947.75  123.672   54.692   1.2021   55.085   1.1566 -0.3932076 1.668138 
1 1 1   -3   37   16 o   52.352   0.8572  2665.65   86.896  2623.69  126.888  2702.72  119.246   51.962   1.2580   52.743   1.1647 -0.7811813 1.714359 
1 1 1   -3   37   17 o   13.499   1.8611  182.208   47.622  221.117   68.060  144.887   66.658   15.059   2.3283   11.939   2.9040 3.119891 3.722137 
1 1 1   -3   37   18 o   34.574   0.8820  1161.54   59.181  1130.51   82.965  1193.68   84.445   34.104   1.2532   35.044   1.2413 -0.9403915 1.763935 
1 1 1   -3   37   19 o   62.876   0.8403  3851.45  100.855  3889.46  131.538  3797.23  157.105   63.262   1.0711   62.489   1.2952 0.7733040 1.680692 
1 1 1   -3   37   20 f   10.937   2.2672  117.034   54.864   54.297   79.801  173.267   75.552   8.8416   3.3626   13.031   3.0420 -4.189904 4.534407 
1 1 1   -3   37   21 o   53.383   0.8436  2745.00   86.132  2624.65  111.542  2922.76  135.558   51.955   1.1060   54.810   1.2741 -2.855247 1.687143 
1 1 1   -3   37   22 o   48.178   0.8698  2254.64   80.802  2216.62  107.782  2303.43  122.095   47.723   1.1634   48.633   1.2933 -0.9097824 1.739608 
1 1 1   -3   37   23 o   6.2308   2.0428 -78.1685   60.357 -33.9167   81.887 -130.8079   89.312   6.7582   3.0270   5.7034   2.7438 1.054882 4.085502 
1 1 1   -3   37   24 o   10.337   2.3879  102.289   57.523   55.996   84.692  141.933   78.374   8.9516   3.4494   11.722   3.3029 -2.770362 4.775745 
1 1 1   -3   37   25 o   31.093   1.1058  948.247   66.493  1058.87   95.366  843.590   92.760   32.872   1.4945   29.314   1.6301 3.557686 2.211515 
1 1 1   -3   37   26 o   21.815   1.4924  473.849   63.172  491.447   89.692  456.527   88.990   22.225   2.0790   21.405   2.1417 0.8201904 2.984818 
1 1 1   -3   37   27 o   25.229   1.3675  634.018   66.500  541.926   92.807  731.197   95.335   23.305   2.0515   27.153   1.8087 -3.848076 2.734974 
1 1 1   -3   37   28 o   8.1449   2.4369   20.563   66.293   34.570   98.283   8.8701   89.797   8.5667   3.5674   7.7232   3.3208 0.8434544 4.873817 
1 1 1   -3   37   29 o   17.442   2.2791  333.765   74.295  336.567  103.856  330.827  106.324   17.553   3.1643   17.330   3.2807 0.2234707 4.558102 
1 1 1   -3   38    1 o  108.044   1.7735 11489.49  247.649 11537.97  265.346 11162.00  689.665  109.007   1.2540  107.080   3.3179 1.926704 3.546957 
1 1 1   -3   38    2 o   80.215   2.1374  6611.49  161.331  6664.60  167.001  5868.89  624.465   82.852   1.0384   77.578   4.1467 5.274750 4.274766 
1 1 1   -3   38    3 o   21.461   4.9055  406.869  240.107  229.217  321.106  632.173  361.616   17.900   6.7602   25.022   7.1102 -7.121899 9.810942 
1 1 1   -3   38    4 o   36.704   3.9036  1679.45   63.267  1691.24   63.838  1030.14  473.868   41.739   0.7879   31.669   7.7673 10.06983 7.807152 
1 1 1   -3   38    5 o   81.160   1.9717  6899.20  164.179  6993.40  171.395  5850.50  571.853   84.869   1.0404   77.451   3.8036 7.417923 3.943303 
1 1 1   -3   38    6 o   53.936   0.6865  2844.92   68.942  2898.86   86.515  2751.06  114.119   54.644   0.8156   53.227   1.1045 1.416676 1.372988 
1 1 1   -3   38    7 o   47.464   0.6627  2172.27   58.917  2131.28   73.814  2244.23   97.800   46.854   0.8116   48.075   1.0480 -1.221218 1.325489 
1 1 1   -3   38    8 o   81.095   0.8587  6403.17  129.150  6442.12  160.731  6332.21  216.959   81.452   1.0166   80.739   1.3843 0.7129211 1.717460 
1 1 1   -3   38    9 o   40.122   0.7594  1562.52   59.129  1527.01   82.585  1599.87   84.696   39.654   1.0729   40.589   1.0749 -0.9350471 1.518728 
1 1 1   -3   38   10 o   58.540   0.8135  3328.15   92.438  3289.25  130.380  3367.47  131.078   58.196   1.1541   58.884   1.1468 -0.6881104 1.626982 
1 1 1   -3   38   11 o   56.026   0.8058  3044.00   87.561  2944.66  120.738  3154.22  127.173   55.063   1.1296   56.988   1.1496 -1.924976 1.611681 
1 1 1   -3   38   12 o  118.354   1.2948 13623.81  297.437 13860.13  420.459 13387.09  420.821  119.384   1.8143  117.325   1.8477 2.059151 2.589573 
1 1 1   -3   38   13 o   71.978   0.9084  5033.95  126.881  5019.32  181.564  5047.92  177.384   71.875   1.3013   72.082   1.2677 -0.2064590 1.816745 
1 1 1   -3   38   14 o   81.692   1.0170  6484.37  161.218  6547.45  231.531  6425.00  224.619   82.077   1.4532   81.308   1.4231 0.7687988 2.033991 
1 1 1   -3   38   15 o   24.126   1.1210  571.690   51.949  491.953   75.035  645.096   71.995   22.490   1.7187   25.762   1.4397 -3.271782 2.242030 
1 1 1   -3   38   16 o   55.648   0.8547  3010.74   92.263  2895.43  130.816  3124.86  130.145   54.585   1.2346   56.710   1.1822 -2.124294 1.709352 
1 1 1   -3   38   17 o   38.227   0.9192  1419.81   67.218  1425.12  104.443  1416.06   87.824   38.283   1.4054   38.171   1.1853 0.1117554 1.838489 
1 1 1   -3   38   18 o   17.306   1.5654  294.360   52.152  269.683   76.749  315.529   71.084   16.620   2.3789   17.992   2.0353 -1.371376 3.130742 
1 1 1   -3   38   19 o   7.9081   2.2623   21.480   54.618  -4.2784   75.097   50.405   79.581   7.0939   3.0432   8.7223   3.3482 -1.628386 4.524508 
1 1 1   -3   38   20 o   18.001   1.5957  316.926   55.694  304.124   79.493  329.269   78.053   17.640   2.3215   18.361   2.1899 -0.7218037 3.191399 
1 1 1   -3   38   21 o   42.405   0.8702  1755.39   71.387  1890.38   99.916  1614.63  102.031   44.081   1.1677   40.729   1.2905 3.352188 1.740386 
1 1 1   -3   38   22 o   18.734   1.6575  348.218   59.513  288.749   84.916  405.627   83.432   17.125   2.5544   20.343   2.1128 -3.217831 3.314945 
1 1 1   -3   38   23 o   17.485   1.8638  307.651   60.033  222.318   82.334  404.512   87.719   14.698   2.9875   20.272   2.2291 -5.573849 3.727501 
1 1 1   -3   38   24 o   30.427   1.1222  906.689   66.257  914.520   92.678  898.502   94.760   30.565   1.5620   30.288   1.6117 0.2771721 2.244443 
1 1 1   -3   38   25 o   10.404   2.4746  106.748   59.096  100.299   86.879  112.301   80.619   10.252   3.5648   10.556   3.4333 -0.3038187 4.949300 
1 1 1   -3   38   26 o   16.553   2.0102  288.529   61.838  229.303   89.553  342.506   85.493   14.646   3.2361   18.461   2.3857 -3.814534 4.020412 
1 1 1   -3   38   27 o   9.5242   2.5313   77.754   63.728   96.742   92.498   60.597   87.926   10.091   3.6608   8.9572   3.4970 1.133917 5.062644 
1 1 1   -3   38   28 o   34.827   1.1339  1201.63   76.470  1089.49  105.660  1324.99  110.813   33.105   1.6442   36.550   1.5618 -3.445271 2.267755 
1 1 1   -3   38   29 o   21.654   2.1607  517.740   82.649  463.071  138.242  548.151  103.106   20.208   3.6588   23.100   2.2994 -2.891203 4.321303 
1 1 1   -3   39    1 o   69.439   2.4157  5448.02  138.837  5540.10  142.967  3923.20  581.803   75.539   0.9750   63.339   4.7319 12.19968 4.831318 
1 1 1   -3   39    2 o   28.913   4.2259  1028.88   54.460  1034.44   54.811  598.698  482.295   32.642   0.8650   25.184   8.4074 7.458508 8.451818 
1 1 1   -3   39    3 f  133.577   1.8116 17431.71  348.216 17467.82  381.181 17249.62  855.991  134.102   1.4643  133.052   3.3142 1.049881 3.623294 
1 1 1   -3   39    4 f  134.499   1.7872 18013.75  357.831 18253.21  396.353 16958.40  832.083  137.079   1.4895  131.919   3.2493 5.159195 3.574460 
1 1 1   -3   39    5 o   42.412   2.8273  1850.07   67.731  1854.51   68.523  1661.60  446.715   43.706   0.8077   41.119   5.5966 2.586792 5.654547 
1 1 1   -3   39    6 o   72.257   0.7976  5030.67  106.073  4948.09  130.160  5193.97  183.031   71.387   0.9393   73.127   1.2894 -1.740173 1.595215 
1 1 1   -3   39    7 o  112.813   1.0834 12357.43  227.945 12337.71  285.112 12392.36  379.481  112.704   1.3032  112.922   1.7312 -0.2178497 2.166870 
1 1 1   -3   39    8 o   95.746   0.9851  8929.31  175.491  8989.66  219.325  8821.93  292.577   96.209   1.1744   95.283   1.5818 0.9262161 1.970107 
1 1 1   -3   39    9 o  129.487   1.2157 16291.99  293.899 16278.03  368.235 16316.49  487.810  129.436   1.4656  129.538   1.9399 -0.1016235 2.431310 
1 1 1   -3   39   10 o   94.287   1.1030  8636.31  201.801  8967.23  287.965  8316.97  282.883   96.062   1.5443   92.512   1.5752 3.550774 2.205925 
1 1 1   -3   39   11 o   32.287   0.8262  1013.21   51.720  1074.96   73.325  952.071   72.962   33.267   1.1355   31.307   1.2006 1.960566 1.652484 
1 1 1   -3   39   12 o   71.239   0.9192  4930.75  127.110  4911.28  179.499  4950.33  180.025   71.098   1.3006   71.380   1.2992 -0.2821426 1.838362 
1 1 1   -3   39   13 o   13.086   1.8545  171.384   46.128  223.612   66.367  122.573   64.160   15.154   2.2561   11.018   2.9438 4.136236 3.708954 
1 1 1   -3   39   14 o   36.721   0.7994  1309.29   56.970  1279.58   79.462  1340.71   81.721   36.293   1.1279   37.150   1.1332 -0.8567276 1.598850 
1 1 1   -3   39   15 o   65.353   0.8961  4150.55  113.678  4118.66  160.688  4182.50  160.843   65.102   1.2715   65.605   1.2630 -0.5031052 1.792182 
1 1 1   -3   39   16 o   17.272   1.5255  290.988   50.685  241.770   70.322  344.197   73.118   15.745   2.3008   18.798   2.0038 -3.052262 3.051014 
1 1 1   -3   39   17 o   59.806   0.9059  3465.59  104.430  3569.06  158.352  3385.96  138.921   60.589   1.3464   59.024   1.2125 1.565247 1.811859 
1 1 1   -3   39   18 o   74.118   0.8999  5373.31  125.680  5477.73  160.418  5207.35  202.234   75.073   1.1008   73.163   1.4240 1.909996 1.799827 
1 1 1   -3   39   19 o   46.059   0.8516  2062.74   75.225  2063.07   99.030  2062.28  115.666   46.070   1.1074   46.049   1.2940 0.2127457E-01 1.703112 
1 1 1   -3   39   20 o   13.216   2.2039  179.475   56.572  126.778   79.800  232.717   80.211   11.273   3.3794   15.159   2.8299 -3.885494 4.407799 
1 1 1   -3   39   21 o   74.038   0.9292  5360.90  130.253  5441.96  167.423  5236.60  207.317   74.780   1.1534   73.297   1.4571 1.482460 1.858313 
1 1 1   -3   39   22 o   22.788   1.3810  507.905   60.931  561.279   88.022  458.798   84.430   23.942   1.8939   21.634   2.0104 2.307833 2.762033 
1 1 1   -3   39   23 o   36.062   0.9405  1263.83   65.639  1203.78   88.748  1336.34   97.527   35.124   1.3016   36.999   1.3579 -1.874817 1.880986 
1 1 1   -3   39   24 o   41.292   0.9330  1662.55   74.424  1628.81   99.989  1704.48  111.443   40.836   1.2614   41.748   1.3751 -0.9129181 1.866041 
1 1 1   -3   39   25 o   8.7546   2.3845   56.457   57.657   38.111   84.480   72.454   78.886   8.3499   3.3724   9.1594   3.3718 -0.8095160 4.768909 
1 1 1   -3   39   26 o   12.367   2.4368  165.462   61.547  195.881   84.942  131.841   89.302   13.504   3.2742   11.229   3.6099 2.275008 4.873568 
1 1 1   -3   39   27 o   29.091   1.2759  835.464   71.694  734.816   96.749  958.047  106.773   27.152   1.8356   31.031   1.7726 -3.878624 2.551746 
1 1 1   -3   39   28 o   17.785   2.2699  357.190   73.858  486.534  102.515  217.592  106.501   21.786   2.4241   13.784   3.8384 8.001983 4.539823 
1 1 1   -3   39   29 o   8.4398   2.5939   8.9450   81.879 -56.5415  122.727   61.475  109.918   7.6296   3.5265   9.2500   3.8049 -1.620365 5.187800 
1 1 1   -3   40    1 o  100.889   2.0672 10767.94  251.296 11028.71  267.869  8853.97  725.706  106.561   1.2950   95.216   3.9263 11.34468 4.134345 
1 1 1   -3   40    2 o   52.780   2.4866  2796.58   85.273  2801.58   86.575  2634.01  493.456   53.718   0.8302   51.842   4.9034 1.876221 4.973220 
1 1 1   -3   40    3 o   69.522   2.2385  4907.59  127.390  4928.74  130.625  4496.40  575.935   71.248   0.9445   67.796   4.3763 3.451843 4.477042 
1 1 1   -3   40    4 o   41.673   2.7833  1862.68   66.587  1871.19   67.432  1529.50  421.895   43.902   0.7913   39.445   5.5100 4.457241 5.566501 
1 1 1   -3   40    5 o   18.669   3.9065  312.904   44.369  314.078   44.602  201.409  434.749   17.982   1.2777   19.356   7.7078 -1.373457 7.812954 
1 1 1   -3   40    6 o   82.077   0.8660  6535.01  131.869  6516.20  163.804  6569.65  222.292   81.918   1.0301   82.237   1.3925 -0.3192520 1.732092 
1 1 1   -3   40    7 o   87.094   0.9211  7334.73  148.289  7259.81  183.112  7477.48  252.767   86.461   1.0910   87.727   1.4843 -1.265533 1.842131 
1 1 1   -3   40    8 o   81.034   0.8769  6365.32  131.718  6334.93  163.385  6421.75  222.619   80.768   1.0421   81.301   1.4106 -0.5335541 1.753776 
1 1 1   -3   40    9 o   30.924   4.0596  1444.56   62.046  1463.63   62.654  476.860  446.423   38.826   0.8313   23.022   8.0765 15.80438 8.119183 
1 1 1   -3   40   10 o   58.372   0.7151  3298.17   76.910  3274.72   94.702  3343.61  131.813   58.074   0.8401   58.671   1.1574 -0.5968475 1.430114 
1 1 1   -3   40   11 o   33.531   0.8377  1092.17   54.525  1090.56   76.827  1093.79   77.397   33.506   1.1812   33.555   1.1882 -0.4939651E-01 1.675441 
1 1 1   -3   40   12 o   25.100   1.0325  612.362   50.193  668.417   71.770  558.698   70.222   26.226   1.4098   23.975   1.5089 2.251091 2.064984 
1 1 1   -3   40   13 o  134.670   1.4560 17610.42  379.083 18114.28  565.339 17198.79  510.981  136.401   2.1351  132.939   1.9801 3.462677 2.911980 
1 1 1   -3   40   14 o   47.579   0.8001  2199.43   73.889  2206.95  103.657  2191.66  105.353   47.662   1.1204   47.496   1.1427 0.1663017 1.600281 
1 1 1   -3   40   15 o   58.272   0.8493  3299.47   96.061  3261.60  135.090  3338.21  136.625   57.934   1.2012   58.611   1.2008 -0.6764641 1.698515 
1 1 1   -3   40   16 o   10.342   2.2365  104.900   49.793  126.410   68.375   80.612   72.657   11.187   3.0602   9.4965   3.2624 1.690473 4.473014 
1 1 1   -3   40   17 o   82.553   1.0976  6628.90  175.768  6710.00  253.972  6554.35  243.506   83.034   1.5757   82.072   1.5285 0.9621506 2.195201 
1 1 1   -3   40   18 o   30.934   0.9967  930.604   59.840  911.619   83.830  950.328   85.445   30.613   1.4107   31.256   1.4083 -0.6433067 1.993321 
1 1 1   -3   40   19 o   26.355   1.1499  673.370   58.568  645.478   78.571  708.247   87.859   25.747   1.5721   26.963   1.6786 -1.216700 2.299831 
1 1 1   -3   40   20 o   33.276   0.9689  1076.81   62.537  1043.03   86.411  1113.95   90.622   32.730   1.3601   33.822   1.3803 -1.092777 1.937766 
1 1 1   -3   40   21 o   45.924   0.8780  2050.70   77.921  2021.09  104.984  2087.02  116.272   45.562   1.1870   46.286   1.2941 -0.7237549 1.756022 
1 1 1   -3   40   22 o   17.025   1.7642  286.244   58.293  287.092   81.658  285.363   83.241   17.054   2.4666   16.996   2.5230 0.5797005E-01 3.528400 
1 1 1   -3   40   23 o   52.694   0.8576  2695.29   86.957  2613.00  114.861  2805.78  133.096   51.771   1.1429   53.617   1.2788 -1.845814 1.715103 
1 1 1   -3   40   24 o   30.591   1.1032  919.821   65.174  803.523   91.172  1041.35   93.200   28.593   1.6426   32.590   1.4732 -3.997347 2.206495 
1 1 1   -3   40   25 o   11.234   2.3239  128.479   60.496   38.015   87.963  209.672   83.334   8.4346   3.4289   14.034   3.1377 -5.599524 4.647856 
1 1 1   -3   40   26 o   15.827   2.1366  263.104   64.076  306.002   91.549  221.910   89.712   17.317   2.7235   14.337   3.2928 2.979397 4.273185 
1 1 1   -3   40   27 o   13.093   2.4439  190.391   63.229  207.562   88.151  172.196   90.743   13.731   3.3393   12.456   3.5694 1.275174 4.887899 
1 1 1   -3   40   28 o   34.974   1.3075  1229.77   87.442  1224.63  135.529  1233.44  114.449   34.806   2.0059   35.142   1.6777 -0.3360710 2.615069 
1 1 1   -3   41    1 o   31.649   3.3461  837.330   56.931  830.896   57.458  1183.51  421.448   29.252   1.0119   34.046   6.6153 -4.793768 6.692224 
1 1 1   -3   41    2 o  135.920   1.8970 18726.91  376.257 19134.18  415.513 16871.89  886.781  140.336   1.5253  131.503   3.4739 8.832809 3.793982 
1 1 1   -3   41    3 o  127.693   1.9450 16273.09  335.461 16433.43  362.906 15331.69  879.355  130.062   1.4374  125.325   3.6146 4.736839 3.889926 
1 1 1   -3   41    4 o   20.935   3.7610  305.794   47.663  301.250   48.044  589.121  379.344   17.610   1.4055   24.261   7.3896 -6.651478 7.522063 
1 1 1   -3   41    5 o   78.736   2.2497  6657.06  164.139  6750.50  170.025  5377.04  629.281   83.375   1.0505   74.097   4.3750 9.278168 4.499361 
1 1 1   -3   41    6 o   56.442   2.2992  3038.49   89.838  3033.66   91.324  3183.43  500.080   55.897   0.8416   56.986   4.5207 -1.088863 4.598375 
1 1 1   -3   41    7 o   66.172   0.7731  4301.21   95.207  4432.43  119.791  4076.16  156.874   67.564   0.9134   64.780   1.2475 2.783669 1.546127 
1 1 1   -3   41    8 o   27.897   0.8341  757.208   43.834  761.334   55.722  750.509   71.001   28.000   1.0252   27.795   1.3159 0.2047024 1.668142 
1 1 1   -3   41    9 o   42.567   0.6894  1747.13   55.229  1710.06   69.653  1809.89   90.637   41.966   0.8550   43.168   1.0816 -1.202030 1.378775 
1 1 1   -3   41   10 o   18.409   1.2383  331.916   43.167  340.949   55.686  318.315   68.332   18.729   1.5317   18.089   1.9460 0.6402893 2.476499 
1 1 1   -3   41   11 o   45.364   0.7942  1999.36   69.918  1951.27   99.010  2047.21   98.749   44.819   1.1380   45.909   1.1081 -1.089645 1.588375 
1 1 1   -3   41   12 o   54.543   0.8286  2879.97   87.560  3130.79  127.951  2659.05  120.081   56.769   1.1611   52.317   1.1824 4.452339 1.657177 
1 1 1   -3   41   13 o   17.634   1.4740  303.577   50.291  276.687   71.411  330.036   70.837   16.855   2.1826   18.414   1.9818 -1.558933 2.948098 
1 1 1   -3   41   14 o   54.794   0.8303  2916.76   88.292  3010.26  125.770  2825.90  123.977   55.661   1.1640   53.928   1.1843 1.732388 1.660583 
1 1 1   -3   41   15 o   69.927   0.9441  4744.53  127.965  4923.60  187.128  4587.23  175.383   71.163   1.3546   68.692   1.3153 2.470421 1.888113 
1 1 1   -3   41   16 o   39.450   0.8731  1512.77   66.864  1512.67   94.719  1512.87   94.400   39.448   1.2369   39.451   1.2327 -0.2780914E-02 1.746281 
1 1 1   -3   41   17 o   20.146   1.5311  385.103   58.782  507.690   91.225  298.066   76.868   22.817   2.0596   17.474   2.2661 5.342659 3.062258 
1 1 1   -3   41   18 o   27.141   1.0964  716.883   57.705  712.670   79.684  721.528   83.675   27.059   1.5171   27.223   1.5834 -0.1641750 2.192868 
1 1 1   -3   41   19 o   22.674   1.2955  500.453   56.938  483.347   78.025  519.938   83.275   22.262   1.8056   23.085   1.8583 -0.8239517 2.590998 
1 1 1   -3   41   20 o   29.122   1.0751  824.263   60.630  790.064   82.326  864.797   89.627   28.467   1.4898   29.778   1.5505 -1.310438 2.150271 
1 1 1   -3   41   21 o   42.323   0.9165  1761.15   74.602  1911.71  101.895  1587.19  109.524   44.304   1.1848   40.342   1.3986 3.962460 1.832959 
1 1 1   -3   41   22 o   68.037   0.9065  4517.79  117.012  4525.59  150.435  4505.83  186.183   68.148   1.1372   67.925   1.4120 0.2223511 1.813008 
1 1 1   -3   41   23 o   29.152   1.1258  832.864   63.704  835.573   90.732  830.229   89.464   29.197   1.6009   29.106   1.5834 0.9041786E-01 2.251673 
1 1 1   -3   41   24 o   29.814   1.0960  870.273   63.286  923.258   93.406  825.309   86.046   30.645   1.5702   28.983   1.5294 1.661642 2.191935 
1 1 1   -3   41   25 o   22.925   1.4655  525.776   64.715  450.315   91.150  602.479   91.896   21.218   2.2130   24.632   1.9219 -3.414330 2.931053 
1 1 1   -3   41   26 o   8.0320   2.3193   3.2447   62.548   92.688   92.265 -72.8180   85.084   9.9461   3.6488   6.1179   2.8640 3.828186 4.638601 
1 1 1   -3   41   27 o   7.9768   2.4022   13.482   66.305   45.651   93.756 -18.7053   93.783   8.6441   3.5299   7.3096   3.2591 1.334494 4.804423 
1 1 1   -3   41   28 o   20.902   2.1112  471.082   83.656  440.964  129.942  492.401  109.327   20.092   3.3317   21.713   2.5938 -1.621681 4.222360 
1 1 1   -3   42    1 o  168.249   1.8820 27821.90  504.062 28015.75  569.630 27122.29  1082.17  169.775   1.7284  166.722   3.3438 3.053360 3.764071 
1 1 1   -3   42    2 o   85.366   2.1084  7675.14  181.360  7780.94  189.052  6453.81  642.317   89.511   1.0880   81.221   4.0740 8.290016 4.216756 
1 1 1   -3   42    3 o  103.712   2.1181 11234.28  253.496 11432.43  268.214  9575.95  775.929  108.488   1.2736   98.936   4.0402 9.551498 4.236179 
1 1 1   -3   42    4 f   46.989   3.6001  2127.32  322.094  1964.64  410.888  2386.64  518.762   44.746   4.7305   49.233   5.4281 -4.487514 7.200103 
1 1 1   -3   42    5 o   28.808   3.9867  1017.28   54.318  1023.53   54.752  627.753  432.126   32.468   0.8687   25.148   7.9259 7.319880 7.973330 
1 1 1   -3   42    6 f   52.117   2.9905  2861.35   88.929  2871.39   90.020  2454.84  572.871   54.381   0.8528   49.852   5.9198 4.529217 5.980932 
1 1 1   -3   42    7 o   22.091   1.0077  485.208   41.294  515.795   52.254  434.337   67.389   23.044   1.1682   21.138   1.6423 1.905638 2.015393 
1 1 1   -3   42    8 o   40.017   0.7245  1554.26   54.382  1551.36   68.548  1559.18   89.330   39.970   0.8835   40.064   1.1486 -0.9407425E-01 1.449088 
1 1 1   -3   42    9 o   48.787   0.6983  2326.62   62.875  2361.32   77.995  2262.22  106.257   49.314   0.8148   48.259   1.1343 1.055103 1.396559 
1 1 1   -3   42   10 o   82.427   0.8934  6611.63  136.135  6635.97  168.686  6566.17  230.538   82.657   1.0513   82.196   1.4449 0.4615021 1.786863 
1 1 1   -3   42   11 o   94.149   1.1483  8609.42  209.721  8865.29  303.488  8375.55  290.142   95.485   1.6373   92.813   1.6104 2.672165 2.296587 
1 1 1   -3   42   12 o   40.892   0.8218  1623.89   65.215  1650.88   93.675  1598.50   90.847   41.222   1.1707   40.563   1.1538 0.6586609 1.643666 
1 1 1   -3   42   13 o   59.347   0.8518  3420.99   98.102  3306.75  137.372  3539.89  140.144   58.335   1.2131   60.358   1.1961 -2.022411 1.703628 
1 1 1   -3   42   14 o   51.512   0.8278  2578.64   82.772  2614.74  117.349  2542.89  116.768   51.871   1.1654   51.153   1.1760 0.7182579 1.655630 
1 1 1   -3   42   15 o   61.594   0.9050  3687.88  108.201  3692.40  152.071  3683.24  153.986   61.632   1.2711   61.555   1.2887 0.7773209E-01 1.810087 
1 1 1   -3   42   16 o   41.065   0.8773  1638.27   69.903  1691.97  100.586  1588.10   97.216   41.716   1.2421   40.415   1.2392 1.300533 1.754552 
1 1 1   -3   42   17 o   52.659   0.8967  2690.92   91.309  2757.44  135.914  2636.20  123.272   53.247   1.3149   52.071   1.2196 1.176411 1.793429 
1 1 1   -3   42   18 o   45.000   0.8481  1972.52   73.652  2000.40   99.330  1938.46  109.770   45.359   1.1281   44.642   1.2667 0.7177925 1.696222 
1 1 1   -3   42   19 f   14.726   2.0816  221.005   57.407  193.787   80.196  249.611   82.214   13.750   3.0809   15.701   2.8002 -1.950164 4.163292 
1 1 1   -3   42   20 o   28.120   1.1085  772.743   60.376  713.991   85.357  831.571   85.413   27.043   1.6260   29.197   1.5070 -2.153917 2.216950 
1 1 1   -3   42   21 o   29.830   1.1015  868.626   63.745  830.434   88.672  909.472   91.701   29.151   1.5670   30.509   1.5484 -1.358181 2.202975 
1 1 1   -3   42   22 o   26.265   1.2261  674.973   62.446  709.527   90.837  644.011   85.987   26.900   1.7396   25.630   1.7283 1.270355 2.452178 
1 1 1   -3   42   23 o   22.256   1.4078  485.876   60.596  542.675   90.117  439.002   81.866   23.437   1.9808   21.076   2.0011 2.361044 2.815663 
1 1 1   -3   42   24 o   9.2377   2.2727   53.395   58.894  151.973   83.963 -42.0767   82.630   11.936   3.4373   6.5397   2.9741 5.396106 4.545341 
1 1 1   -3   42   25 f   9.8963   2.5001   90.935   61.053  115.066   89.462   69.899   83.528   10.655   3.6207   9.1378   3.4486 1.516967 5.000207 
1 1 1   -3   42   26 o   8.4903   2.4203   26.209   65.124 -36.1651   88.791   98.831   95.808   6.8352   3.0986   10.145   3.7188 -3.310058 4.840532 
1 1 1   -3   42   27 o   9.7353   2.5292   85.245   66.720  139.405   91.250   23.028   97.802   11.244   3.6525   8.2266   3.4994 3.017369 5.058316 
1 1 1   -3   42   28 o   18.825   2.3542  404.641   79.789  352.426  129.472  436.614  101.315   17.236   3.9537   20.414   2.5567 -3.178162 4.708332 
1 1 1   -3   43    1 o   25.323   4.0784  627.846   55.768  627.868   56.207  626.471  447.383   25.426   1.1388   25.220   8.0770 0.2055645 8.156855 
1 1 1   -3   43    2 o   79.771   2.2598  6737.52  166.205  6816.38  171.990  5624.15  646.244   83.780   1.0575   75.762   4.3942 8.017487 4.519644 
1 1 1   -3   43    3 o   33.645   3.4326  971.846   55.141  966.836   55.550  1307.65  454.813   31.555   0.9069   35.735   6.8050 -4.180033 6.865206 
1 1 1   -3   43    4 o  102.322   2.2729 11360.47  258.705 11646.59  273.183  8873.75  805.355  109.495   1.2853   95.148   4.3604 14.34711 4.545830 
1 1 1   -3   43    5 o  117.450   2.0244 14120.50  308.212 14366.37  331.619 12561.00  835.187  121.595   1.4049  113.305   3.7972 8.289825 4.048815 
1 1 1   -3   43    6 o  115.356   2.0873 13558.44  297.444 13739.08  317.236 12244.81  855.491  118.910   1.3744  111.803   3.9418 7.106430 4.174543 
1 1 1   -3   43    7 o   75.764   0.8405  5579.89  118.016  5588.64  146.595  5563.76  198.946   75.859   0.9955   75.670   1.3544 0.1884460 1.680905 
1 1 1   -3   43    8 o   57.396   0.7379  3198.21   77.714  3195.48   95.415  3203.60  133.945   57.366   0.8568   57.426   1.2016 -0.6023026E-01 1.475799 
1 1 1   -3   43    9 o   75.758   0.8566  5543.68  119.287  5477.36  146.326  5675.07  205.967   75.098   1.0038   76.419   1.3885 -1.320778 1.713287 
1 1 1   -3   43   10 o  129.161   1.2514 16144.15  300.348 15945.96  373.020 16509.49  506.462  128.079   1.5003  130.244   2.0032 -2.165771 2.502763 
1 1 1   -3   43   11 o   94.525   1.0115  8684.71  176.143  8683.82  217.230  8686.40  300.976   94.540   1.1837   94.510   1.6405 0.3012085E-01 2.022994 
1 1 1   -3   43   12 o   45.298   6.3711  2124.06  548.265  2747.47  820.481  1621.11  736.953   51.876   8.1477   38.721   9.7969 13.15545 12.74228 
1 1 1   -3   43   13 o   19.017   1.3689  353.385   50.213  340.496   74.568  364.078   67.921   18.695   2.0548   19.339   1.8092 -0.6447735 2.737815 
1 1 1   -3   43   14 o   38.321   0.8584  1426.90   63.790  1419.94   88.161  1434.55   92.413   38.224   1.1882   38.418   1.2392 -0.1939354 1.716772 
1 1 1   -3   43   15 o   7.6248   2.2092   12.357   53.645   48.078   76.459 -22.2770   75.286   8.5414   3.2811   6.7081   2.9591 1.833344 4.418370 
1 1 1   -3   43   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   43   17 o   41.893   0.9413  1705.41   76.363  1733.67  112.342  1681.14  104.113   42.213   1.3710   41.574   1.2901 0.6386795 1.882542 
1 1 1   -3   43   18 o   32.412   0.9933  1019.89   62.392  945.477   85.854  1103.17   90.826   31.161   1.4193   33.662   1.3900 -2.500687 1.986568 
1 1 1   -3   43   19 o   36.577   0.9697  1299.30   68.658  1250.11   93.003  1358.22  101.784   35.822   1.3374   37.332   1.4045 -1.509682 1.939455 
1 1 1   -3   43   20 o   42.766   0.9004  1788.73   74.370  1857.75  101.444  1708.53  109.350   43.672   1.1966   41.861   1.3457 1.810432 1.800773 
1 1 1   -3   43   21 o   22.973   1.2899  517.782   57.408  476.237   80.587  560.586   81.800   22.029   1.8845   23.917   1.7619 -1.887896 2.579834 
1 1 1   -3   43   22 o   32.679   1.0199  1043.66   64.650  1073.62   93.604  1016.34   89.398   33.124   1.4557   32.233   1.4288 0.8910141 2.039746 
1 1 1   -3   43   23 o   34.740   0.9762  1182.62   65.817  1219.07   93.765  1147.22   92.409   35.270   1.3695   34.209   1.3916 1.060596 1.952461 
1 1 1   -3   43   24 o   21.253   1.5156  449.765   62.348  465.971   92.337  436.184   84.527   21.587   2.2036   20.919   2.0816 0.6682606 3.031291 
1 1 1   -3   43   25 o   18.467   1.7917  348.466   63.820  326.257   93.597  367.764   87.249   17.858   2.7000   19.077   2.3561 -1.219048 3.583480 
1 1 1   -3   43   26 o   14.800   2.3207  238.818   67.210  163.823   93.961  317.392   96.177   12.133   3.6737   17.467   2.8366 -5.333514 4.641369 
1 1 1   -3   43   27 o   15.177   2.6386  273.876   77.354  219.511  122.661  309.773   99.673   13.581   4.2136   16.774   3.1774 -3.193754 5.277274 
1 1 1   -3   44    1 o   14.795   4.0046  119.841   50.705  119.350   51.054  155.329  434.019   10.855   2.4775   18.735   7.6164 -7.879840 8.009248 
1 1 1   -3   44    2 o   53.438   2.8782  3169.87   94.188  3192.56   95.614  2426.29  547.320   57.340   0.8590   49.535   5.6919 7.804813 5.756401 
1 1 1   -3   44    3 o   60.051   2.5942  3674.32  105.200  3684.54  106.972  3373.46  580.395   61.599   0.8946   58.503   5.1107 3.095173 5.188367 
1 1 1   -3   44    4 o  128.564   2.1189 17162.76  363.033 17586.23  393.368 14730.43  942.754  134.515   1.5065  122.614   3.9609 11.90116 4.237708 
1 1 1   -3   44    5 o   61.665   2.5649  3390.88   98.589  3373.51   99.811  4086.59  631.841   58.942   0.8723   64.389   5.0551 -5.446949 5.129853 
1 1 1   -3   44    6 o   81.081   2.3626  7137.85  176.036  7246.07  182.316  5647.72  676.519   86.372   1.0874   75.789   4.5984 10.58308 4.725212 
1 1 1   -3   44    7 o   40.010   0.7409  1520.31   54.712  1448.81   66.909  1664.59   95.047   38.626   0.8924   41.395   1.1828 -2.768696 1.481702 
1 1 1   -3   44    8 o   57.497   0.7518  3172.70   79.741  3091.45   97.892  3332.94  137.471   56.422   0.8938   58.572   1.2091 -2.149628 1.503578 
1 1 1   -3   44    9 o   38.541   0.7629  1452.53   55.182  1482.04   70.029  1404.19   89.627   39.065   0.9235   38.017   1.2145 1.047905 1.525725 
1 1 1   -3   44   10 o   41.667   0.7509  1653.39   58.251  1575.41   71.978  1801.41   99.168   40.276   0.9206   43.059   1.1864 -2.783249 1.501723 
1 1 1   -3   44   11 o   25.207   0.9906  619.740   46.918  626.182   59.485  609.133   76.324   25.385   1.2071   25.028   1.5710 0.3578663 1.981227 
1 1 1   -3   44   12 o   27.172   1.0477  718.337   55.166  711.989   80.192  724.041   76.009   27.056   1.5269   27.288   1.4349 -0.2313309 2.095310 
1 1 1   -3   44   13 o   27.817   1.0384  752.427   56.059  747.644   78.259  757.468   80.340   27.727   1.4540   27.908   1.4830 -0.1804619 2.076878 
1 1 1   -3   44   14 o   33.673   0.9359  1102.13   61.166  1075.36   85.558  1130.12   87.478   33.255   1.3254   34.091   1.3219 -0.8364182 1.871900 
1 1 1   -3   44   15 o   26.862   1.1308  701.334   58.875  757.781   84.889  649.018   81.724   27.904   1.5672   25.821   1.6305 2.082905 2.261556 
1 1 1   -3   44   16 o   61.797   0.9322  3703.29  111.637  3908.87  163.860  3525.20  152.508   63.392   1.3316   60.203   1.3050 3.188789 1.864456 
1 1 1   -3   44   17 o   49.148   0.9088  2348.82   86.675  2268.92  121.137  2432.64  124.069   48.291   1.2922   50.004   1.2782 -1.713200 1.817586 
1 1 1   -3   44   18 o   68.182   0.8965  4493.81  114.684  4403.73  144.021  4649.90  189.592   67.281   1.1027   69.084   1.4138 -1.803467 1.792975 
1 1 1   -3   44   19 o   56.690   0.8578  3110.83   92.981  3024.69  120.682  3236.67  145.856   55.745   1.1153   57.635   1.3037 -1.890331 1.715626 
1 1 1   -3   44   20 o   31.970   1.0262  998.248   63.524  906.861   88.929  1093.46   90.773   30.469   1.5036   33.471   1.3971 -3.002911 2.052448 
1 1 1   -3   44   21 f   32.630   1.3147  1046.88   75.020  1042.51  140.617  1048.62   88.698   32.498   2.2290   32.761   1.3947 -0.2620850 2.629401 
1 1 1   -3   44   22 o   43.397   0.8821  1838.16   74.223  1786.46  102.001  1896.34  108.207   42.754   1.2290   44.041   1.2657 -1.286060 1.764240 
1 1 1   -3   44   23 o   19.663   1.5813  392.222   59.362  332.020   87.154  444.323   81.077   18.172   2.4707   21.155   1.9744 -2.982761 3.162664 
1 1 1   -3   44   24 f   14.287   2.2429  221.249   60.694  183.137   88.975  254.418   83.005   13.002   3.4632   15.573   2.8509 -2.570821 4.485715 
1 1 1   -3   44   25 o   16.448   2.1128  287.149   65.621  254.260   93.971  318.451   91.675   15.292   3.2649   17.604   2.6827 -2.311827 4.225644 
1 1 1   -3   44   26 o   10.902   2.6347  127.436   66.993  131.752   95.948  123.331   93.582   11.044   3.7496   10.761   3.7022 0.2826471 5.269328 
1 1 1   -3   44   27 o   9.0208   2.6804   46.307   80.207   4.9382  126.936   73.801  103.483   8.6455   3.8266   9.3961   3.7544 -0.7505589 5.360834 
1 1 1   -3   45    1 o   53.446   4.1515  3646.56  104.150  3680.86  105.324  2133.38  699.623   61.568   0.8813   45.324   8.2561 16.24420 8.303037 
1 1 1   -3   45    2 o   36.115   4.2610  1354.54   63.473  1355.50   63.873  1278.32  568.126   37.362   0.8807   34.867   8.4763 2.494755 8.521932 
1 1 1   -3   45    3 o   76.591   2.5362  6121.24  154.347  6160.66  158.137  5328.34  709.190   79.645   1.0229   73.537   4.9681 6.107597 5.072317 
1 1 1   -3   45    4 o   37.294   4.2556  1813.02   68.906  1826.83   69.504  1020.84  526.385   43.375   0.8255   31.214   8.4711 12.16135 8.511184 
1 1 1   -3   45    5 o   19.503   4.3712  317.833   52.353  319.139   52.579  166.956  565.200   18.120   1.4948   20.885   8.6137 -2.764776 8.742421 
1 1 1   -3   45    6 o   72.675   2.6038  5337.52  140.464  5351.76  143.332  4992.29  705.702   74.232   0.9947   71.119   5.1118 3.113304 5.207655 
1 1 1   -3   45    7 o   65.982   0.7890  4248.67   97.341  4303.37  122.630  4155.49  160.046   66.566   0.9490   65.398   1.2607 1.168854 1.577987 
1 1 1   -3   45    8 o   99.213   1.0249  9597.59  188.747  9670.47  235.251  9465.92  316.219   99.765   1.2147   98.661   1.6511 1.104195 2.049821 
1 1 1   -3   45    9 o   42.228   0.7314  1747.52   56.946  1782.68   70.662  1682.36   96.181   42.845   0.8496   41.611   1.1907 1.233784 1.462754 
1 1 1   -3   45   10 o  111.031   1.1573 11980.07  236.864 11956.61  292.175 12025.05  404.569  110.910   1.3571  111.153   1.8750 -0.2432785 2.314607 
1 1 1   -3   45   11 o   28.540   0.8618  776.199   46.734  721.521   59.403  865.016   75.709   27.250   1.1230   29.831   1.3074 -2.580904 1.723525 
1 1 1   -3   45   12 o   23.700   1.1641  551.362   53.047  475.320   76.252  622.681   73.846   22.097   1.7777   25.302   1.5035 -3.204967 2.328205 
1 1 1   -3   45   13 o   42.857   0.8805  1785.36   73.239  1775.12  102.643  1795.98  104.535   42.732   1.2374   42.981   1.2529 -0.2494087 1.760946 
1 1 1   -3   45   14 o   34.910   0.9642  1186.33   65.243  1107.87   92.083  1265.42   92.452   33.748   1.4056   36.073   1.3203 -2.324509 1.928463 
1 1 1   -3   45   15 o   51.493   0.8872  2575.25   88.609  2655.37  128.469  2502.55  122.378   52.255   1.2665   50.731   1.2427 1.524075 1.774356 
1 1 1   -3   45   16 o   37.843   0.9773  1393.83   71.752  1335.05  101.111  1453.45  101.837   37.038   1.4063   38.649   1.3574 -1.611042 1.954549 
1 1 1   -3   45   17 o   40.375   0.9759  1590.63   76.334  1511.58  109.579  1665.16  106.397   39.393   1.4330   41.357   1.3253 -1.963581 1.951894 
1 1 1   -3   45   18 o   6.5456   2.0747 -38.4952   54.023 -59.2831   70.746  -9.4182   83.670   5.7476   2.6639   7.3435   3.1815 -1.595901 4.149500 
1 1 1   -3   45   19 o   12.341   2.2490  153.769   59.757  251.092   84.629   56.996   84.390   15.681   2.8866   9.0016   3.4496 6.679393 4.498037 
1 1 1   -3   45   20 o   35.319   0.9750  1218.17   66.836  1195.31   94.582  1240.97   94.459   34.986   1.3927   35.652   1.3649 -0.6661530 1.949993 
1 1 1   -3   45   21 o   42.438   0.8906  1756.14   73.306  1672.48  101.441  1847.58  106.053   41.381   1.2628   43.495   1.2561 -2.113632 1.781163 
1 1 1   -3   45   22 o   6.8165   2.1581 -29.2477   58.794 -34.5487   84.721 -24.3231   81.658   6.7912   3.0573   6.8418   3.0465 -0.5060053E-01 4.316113 
1 1 1   -3   45   23 o   21.211   1.5351  449.312   63.121  481.218   90.286  418.808   88.280   21.962   2.1178   20.460   2.2228 1.501806 3.070151 
1 1 1   -3   45   24 o   26.109   1.3195  681.222   66.583  723.004   92.024  635.316   96.459   26.990   1.7565   25.228   1.9696 1.761259 2.639050 
1 1 1   -3   45   25 o   27.652   1.2869  764.481   68.923  825.724   97.829  704.125   97.119   28.781   1.7510   26.522   1.8864 2.259554 2.573836 
1 1 1   -3   45   26 o   8.1594   2.4194   6.3772   69.676   87.282   98.693 -74.0153   98.380   9.7329   3.7304   6.5859   3.0820 3.147045 4.838879 
1 1 1   -3   46    1 o   30.565   4.9580  1180.47   63.207  1185.86   63.479  554.804  683.992   34.944   0.9358   26.185   9.8718 8.759516 9.916084 
1 1 1   -3   46    2 o   15.698   4.6681  102.161   51.695  102.049   51.871  118.571  626.865   10.049   2.6289   21.348   8.9585 -11.29899 9.336294 
1 1 1   -3   46    3 o   89.383   2.5276  8396.84  201.455  8475.70  207.894  7182.59  815.769   93.408   1.1465   85.357   4.9234 8.051079 5.055104 
1 1 1   -3   46    4 o   26.987   4.5516  755.932   56.020  757.098   56.303  640.984  559.043   27.919   1.0389   26.055   9.0438 1.863995 9.103249 
1 1 1   -3   46    5 o   64.899   2.6151  4142.46  115.511  4143.62  117.414  4107.51  644.292   65.320   0.9260   64.478   5.1476 0.8418961 5.230226 
1 1 1   -3   46    6 o   37.158   4.8165  1716.87   71.504  1724.69   71.948  1089.97  644.289   42.143   0.8795   32.173   9.5928 9.969639 9.633038 
1 1 1   -3   46    7 o   40.877   4.7987  2356.36   82.283  2377.37   82.969  1101.08  641.281   49.478   0.8639   32.275   9.5584 17.20295 9.597318 
1 1 1   -3   46    8 o   22.277   1.1468  485.873   47.947  495.817   60.851  469.589   77.867   22.585   1.3880   21.968   1.8260 0.6172466 2.293616 
1 1 1   -3   46    9 o   65.791   0.8107  4239.10   99.508  4330.87  125.279  4082.26  163.786   66.774   0.9665   64.809   1.3019 1.964874 1.621454 
1 1 1   -3   46   10 o   20.626   1.1525  404.135   45.433  361.346   58.334  470.110   72.436   19.274   1.5592   21.979   1.6978 -2.705566 2.305097 
1 1 1   -3   46   11 o   29.904   0.8699  864.978   48.997  852.304   61.962  886.129   80.043   29.617   1.0777   30.190   1.3658 -0.5722008 1.739843 
1 1 1   -3   46   12 o   41.865   0.8787  1705.57   71.331  1624.39  101.373  1785.18  100.389   40.875   1.2776   42.855   1.2068 -1.979218 1.757429 
1 1 1   -3   46   13 o   11.707   2.2337  136.056   54.374   78.744   75.812  196.770   78.030   9.5041   3.3286   13.909   2.9797 -4.404907 4.467492 
1 1 1   -3   46   14 o   76.160   1.0384  5643.92  153.513  5704.37  217.600  5584.02  216.603   76.566   1.4641   75.753   1.4730 0.8131866 2.076807 
1 1 1   -3   46   15 o   73.483   1.0254  5252.66  146.225  5401.55  209.553  5111.36  204.141   74.497   1.4491   72.468   1.4512 2.029076 2.050777 
1 1 1   -3   46   16 o   29.788   1.0929  868.698   62.882  787.864   90.307  944.782   87.613   28.429   1.6364   31.146   1.4491 -2.717203 2.185786 
1 1 1   -3   46   17 o   41.869   0.9516  1703.84   77.095  1755.43  114.315  1660.81  104.413   42.444   1.3875   41.294   1.3026 1.150066 1.903101 
1 1 1   -3   46   18 o   37.746   0.8841  1386.07   63.910  1375.74   83.669  1400.54   99.025   37.589   1.1467   37.903   1.3459 -0.3145409 1.768118 
1 1 1   -3   46   19 o   48.070   0.8483  2260.80   78.501  2324.17  105.364  2181.73  117.691   48.844   1.1113   47.295   1.2819 1.549294 1.696532 
1 1 1   -3   46   20 o   48.042   0.8528  2260.48   79.075  2348.37  107.526  2156.96  116.692   49.078   1.1287   47.006   1.2789 2.072529 1.705684 
1 1 1   -3   46   21 o   7.7930   2.2410  -3.8713   59.975 -92.6701   85.330   82.822   84.313   5.9297   2.8044   9.6563   3.4963 -3.726636 4.482034 
1 1 1   -3   46   22 o   21.677   1.4295  464.611   59.907  527.490   88.091  410.511   81.710   23.048   1.9690   20.307   2.0728 2.740370 2.858921 
1 1 1   -3   46   23 o   28.362   1.1719  794.389   64.477  755.157   90.168  835.441   92.235   27.639   1.6806   29.085   1.6336 -1.446674 2.343770 
1 1 1   -3   46   24 o   19.596   1.7435  391.314   66.276  380.314   94.506  401.959   92.969   19.304   2.5221   19.888   2.4081 -0.5848160 3.487091 
1 1 1   -3   46   25 o   9.2560   2.3816   25.611   68.024 -101.5006   92.303  176.716  100.638   6.0113   2.8641   12.501   3.8058 -6.489334 4.763147 
1 1 1   -3   46   26 o   9.2076   2.6149   62.586   75.072 -22.0361  125.982  109.179   93.483   8.2249   3.7131   10.190   3.6827 -1.965437 5.229724 
1 1 1   -3   47    1 o   43.212   4.6866  2163.10   79.213  2169.97   79.726  1634.49  699.299   47.271   0.8688   39.154   9.3328 8.117596 9.373184 
1 1 1   -3   47    2 o   43.072   3.5576  1319.95   66.759  1308.82   67.086  2453.30  676.765   36.710   0.9414   49.434   7.0526 -12.72356 7.115120 
1 1 1   -3   47    3 o   58.842   3.5958  3766.07  111.412  3781.09  112.611  3072.54  765.361   62.396   0.9297   55.288   7.1313 7.108536 7.191697 
1 1 1   -3   47    4 o   43.467   4.2595  1989.03   75.164  1991.16   75.653  1825.92  661.946   45.281   0.8607   41.652   8.4754 3.629814 8.518942 
1 1 1   -3   47    5 o   24.197   4.5203  646.508   56.212  649.594   56.470  311.149  588.622   25.858   1.1250   22.536   8.9704 3.322584 9.040627 
1 1 1   -3   47    6 o   50.905   2.9714  2285.95   82.755  2275.52   83.530  2840.67  609.151   48.405   0.8890   53.406   5.8759 -5.000454 5.942733 
1 1 1   -3   47    7 o   73.406   3.1099  5909.23  156.191  5955.61  159.137  4691.49  815.398   78.299   1.0470   68.512   6.1311 9.787003 6.219833 
1 1 1   -3   47    8 o   14.112   1.7759  174.217   45.451   91.049   55.758  338.912   78.464   9.5755   2.8137   18.649   2.1675 -9.073357 3.551715 
1 1 1   -3   47    9 o   41.246   0.7577  1686.37   57.532  1766.17   71.822  1543.48   96.107   42.643   0.8677   39.849   1.2424 2.793465 1.515396 
1 1 1   -3   47   10 o   71.421   0.8482  4968.56  111.494  4992.58  137.533  4922.52  190.425   71.688   0.9883   71.153   1.3787 0.5350723 1.696325 
1 1 1   -3   47   11 o   21.113   1.2044  439.670   47.255  454.802   59.420  413.631   77.946   21.624   1.4156   20.603   1.9490 1.021410 2.408814 
1 1 1   -3   47   12 o   57.416   0.8002  3234.19   85.712  3317.03  108.021  3093.39  140.832   58.430   0.9524   56.402   1.2863 2.027695 1.600491 
1 1 1   -3   47   13 o   82.104   1.0973  6559.80  174.867  6699.73  249.191  6424.04  245.449   82.967   1.5473   81.241   1.5564 1.726318 2.194627 
1 1 1   -3   47   14 o   39.394   0.9441  1510.35   72.155  1564.45  101.893  1455.93  102.192   40.103   1.3089   38.684   1.3609 1.419415 1.888170 
1 1 1   -3   47   15 o   45.104   0.8833  1978.63   77.310  2003.58  111.072  1955.18  107.673   45.379   1.2609   44.829   1.2373 0.5494804 1.766590 
1 1 1   -3   47   16 o   24.632   1.2647  595.017   60.028  681.161   85.214  510.162   84.573   26.420   1.6616   22.845   1.9071 3.575062 2.529422 
1 1 1   -3   47   17 o   20.782   1.5874  430.611   63.002  357.625   91.666  495.956   86.735   19.061   2.4774   22.503   1.9856 -3.441864 3.174881 
1 1 1   -3   47   18 o   22.739   1.2105  502.182   53.131  472.321   70.735  540.840   80.483   21.975   1.6582   23.503   1.7640 -1.528112 2.421064 
1 1 1   -3   47   19 o   9.9573   2.3924   85.212   57.792  139.693   84.738   37.832   79.022   11.671   3.4787   8.2439   3.2851 3.426710 4.784701 
1 1 1   -3   47   20 o   38.577   0.9548  1455.37   71.466  1453.25   99.603  1457.61  102.601   38.552   1.3310   38.601   1.3692 -0.4949188E-01 1.909523 
1 1 1   -3   47   21 o   31.537   1.0469  976.706   64.082  994.831   90.784  958.706   90.467   31.831   1.4692   31.242   1.4917 0.5888062 2.093753 
1 1 1   -3   47   22 o   20.534   1.5417  429.086   60.239  354.929   88.540  492.996   82.196   18.781   2.4286   22.288   1.8998 -3.507336 3.083422 
1 1 1   -3   47   23 o   21.659   1.5279  477.672   63.186  418.645   94.183  525.983   85.206   20.346   2.3847   22.972   1.9108 -2.625854 3.055791 
1 1 1   -3   47   24 o   28.376   1.2884  805.383   70.852  827.534   98.326  781.459  102.185   28.810   1.7581   27.942   1.8839 0.8683014 2.576864 
1 1 1   -3   47   25 o   19.312   1.9208  398.438   68.098  500.273   96.499  297.417   96.113   22.132   2.2462   16.492   3.1164 5.639542 3.841505 
1 1 1   -3   47   26 o   14.716   2.6930  261.177   78.991  202.628  117.720  309.129  106.536   12.959   4.1425   16.474   3.4424 -3.515067 5.386098 
1 1 1   -3   48    1 o   23.919   4.8052  540.969   58.249  542.086   58.479  400.345  656.341   23.619   1.2755   24.219   9.5253 -0.6007385 9.610313 
1 1 1   -3   48    2 f   12.410   4.3672   11.158   55.512   13.839   55.716 -353.4353  649.741   6.6161   2.7137   18.203   8.3022 -11.58739 8.734440 
1 1 1   -3   48    3 o   44.324   4.6458  2243.77   80.828  2250.14   81.354  1756.13  711.516   48.135   0.8707   40.513   9.2507 7.621910 9.291543 
1 1 1   -3   48    4 o   32.982   5.2309  1243.99   67.456  1246.86   67.737  901.288  741.237   35.829   0.9739   30.135   10.416 5.693243 10.46177 
1 1 1   -3   48    5 f   54.588   3.4015  2891.57   93.649  2889.64   94.462  3002.21  715.201   54.546   0.8921   54.630   6.7442 -0.8375931E-01 6.802956 
1 1 1   -3   48    6 o   89.473   2.5144  8428.19  207.574  8513.67  214.750  7212.87  809.773   93.602   1.1819   85.344   4.8879 8.257370 5.028784 
1 1 1   -3   48    7 o   92.513   2.5182  8847.09  217.139  8913.53  224.644  7902.33  847.137   95.767   1.2084   89.258   4.8892 6.509087 5.036358 
1 1 1   -3   48    8 o   48.002   0.7661  2211.04   67.855  2152.02   83.305  2327.41  116.971   47.069   0.9117   48.934   1.2314 -1.864853 1.532190 
1 1 1   -3   48    9 o   41.877   0.7752  1723.15   60.574  1777.00   76.484  1632.53   99.212   42.771   0.9212   40.982   1.2471 1.789101 1.550448 
1 1 1   -3   48   10 o   31.938   0.8717  992.997   52.348  997.118   66.330  986.191   85.241   32.032   1.0667   31.843   1.3790 0.1892567 1.743454 
1 1 1   -3   48   11 o   36.876   0.8412  1314.08   57.107  1297.55   70.158  1346.53   98.309   36.543   0.9890   37.208   1.3611 -0.6651611 1.682478 
1 1 1   -3   48   12 o   74.929   0.8893  5416.39  121.993  5332.26  148.920  5588.03  212.706   74.074   1.0357   75.785   1.4459 -1.710602 1.778540 
1 1 1   -3   48   13 o   36.020   1.0096  1260.96   70.543  1325.37  101.753  1201.35   97.885   36.905   1.4204   35.135   1.4352 1.770134 2.019211 
1 1 1   -3   48   14 o   9.7005   2.4119   75.510   57.834   38.699   78.567  119.046   85.443   8.3310   3.2895   11.070   3.5282 -2.739059 4.823768 
1 1 1   -3   48   15 o   19.599   1.6140  376.432   61.392  386.776   87.381  366.348   86.274   19.866   2.2659   19.332   2.2990 0.5344753 3.227989 
1 1 1   -3   48   16 o   8.2821   2.3832   22.002   61.412   58.581   88.636 -11.7709   85.167   9.2052   3.5335   7.3590   3.1990 1.846143 4.766475 
1 1 1   -3   48   17 o   19.220   1.6716  368.324   61.544  311.575   89.151  419.989   85.064   17.760   2.5859   20.679   2.1191 -2.918903 3.343280 
1 1 1   -3   48   18 o   26.247   1.3112  676.277   66.346  672.421   99.657  679.346   88.913   26.163   1.9623   26.331   1.7395 -0.1682320 2.622322 
1 1 1   -3   48   19 o   17.780   1.6829  316.508   57.387  266.442   82.283  363.926   80.078   16.362   2.5906   19.197   2.1489 -2.834591 3.365821 
1 1 1   -3   48   20 o   31.682   1.0636  985.016   65.404  994.513   93.351  975.859   91.661   31.831   1.5108   31.534   1.4974 0.2968159 2.127167 
1 1 1   -3   48   21 o   41.485   0.9125  1691.16   73.282  1820.94  103.165  1558.97  104.114   43.114   1.2327   39.857   1.3457 3.256920 1.824915 
1 1 1   -3   48   22 o   27.022   1.2637  724.798   66.154  673.140   93.555  776.458   93.557   26.037   1.8510   28.007   1.7209 -1.969652 2.527352 
1 1 1   -3   48   23 o   11.144   2.3855  128.601   62.242  206.756   86.256   43.695   89.904   13.755   3.2771   8.5322   3.4673 5.223005 4.770903 
1 1 1   -3   48   24 o   16.917   2.1105  301.096   66.837  229.799   89.684  390.161  100.237   14.427   3.2770   19.408   2.6606 -4.980898 4.221093 
1 1 1   -3   48   25 o   12.790   2.8195  182.124   76.026  248.799  125.089  143.068   95.738   14.328   4.2156   11.253   3.7454 3.074690 5.639075 
1 1 1   -3   49    1 o   30.185   4.9367  1174.11   62.893  1179.73   63.158  508.282  687.434   34.851   0.9336   25.519   9.8291 9.332495 9.873363 
1 1 1   -3   49    2 o   32.527   4.4406  590.398   58.132  581.616   58.350  1758.73  673.028   24.464   1.2287   40.590   8.7959 -16.12564 8.881284 
1 1 1   -3   49    3 o   29.993   5.0956  856.980   63.894  856.251   64.162  943.836  700.207   29.686   1.1134   30.301   10.130 -0.6148167 10.19119 
1 1 1   -3   49    4 o   43.765   4.4716  1748.87   74.198  1744.65   74.562  2178.20  752.022   42.382   0.9063   45.148   8.8971 -2.766815 8.943129 
1 1 1   -3   49    5 o   55.447   4.1436  2946.78   93.533  2943.78   94.050  3217.25  893.228   55.053   0.8801   55.841   8.2403 -0.7886276 8.287124 
1 1 1   -3   49    6 o   59.910   4.3470  4446.99  129.109  4484.21  130.555  2794.45  869.857   67.940   0.9899   51.879   8.6375 16.06107 8.694077 
1 1 1   -3   49    7 o   52.800   4.9003  3208.63  104.220  3218.66  104.962  2505.36  878.633   57.563   0.9393   48.037   9.7555 9.525875 9.800597 
1 1 1   -3   49    8 o   8.2363   2.1541   47.954   45.234   31.741   58.474   72.113   71.380   7.3133   2.8527   9.1594   3.2282 -1.846068 4.308100 
1 1 1   -3   49    9 o   34.266   0.9707  1145.30   64.377  1062.02   92.072  1224.95   90.047   33.040   1.4355   35.492   1.3070 -2.451103 1.941402 
1 1 1   -3   49   10 o   22.498   1.1843  498.196   50.375  518.542   65.061  467.741   79.599   23.087   1.4517   21.910   1.8716 1.177027 2.368608 
1 1 1   -3   49   11 o   19.893   1.3115  373.510   49.745  322.780   63.491  454.164   80.056   18.201   1.7970   21.585   1.9106 -3.383453 2.622908 
1 1 1   -3   49   12 o   38.772   0.8459  1465.11   61.246  1474.11   76.896  1449.49  101.288   38.945   1.0171   38.599   1.3518 0.3463287 1.691745 
1 1 1   -3   49   13 o   4.7124   1.6302 -124.4419   47.687 -114.3382   60.233 -141.4112   78.060   4.3767   2.1393   5.0481   2.4605 -0.6714840 3.260430 
1 1 1   -3   49   14 o   81.722   1.1073  6507.57  175.604  6698.60  251.912  6327.00  244.920   82.888   1.5656   80.556   1.5662 2.331978 2.214579 
1 1 1   -3   49   15 o   31.475   1.1398  970.267   69.164  835.133   97.293  1108.33   98.341   29.241   1.7141   33.710   1.5028 -4.469444 2.279586 
1 1 1   -3   49   16 o   54.007   0.9284  2841.99   97.304  2913.88  139.374  2773.64  135.908   54.672   1.3133   53.341   1.3126 1.331734 1.856734 
1 1 1   -3   49   17 o   34.221   1.0141  1143.61   67.354  1118.96   94.779  1168.77   95.734   33.847   1.4426   34.594   1.4256 -0.7476311 2.028115 
1 1 1   -3   49   18 o   10.365   2.3051   98.346   60.509  -9.8364   93.074  177.542   79.635   7.6861   3.3427   13.044   3.1750 -5.357538 4.610241 
1 1 1   -3   49   19 o   13.740   2.2313  199.113   58.263  210.531   80.725  186.699   84.176   14.186   3.0238   13.293   3.2819 0.8938046 4.462501 
1 1 1   -3   49   20 o   24.824   1.2899  618.066   61.233  528.006   89.806  696.309   83.707   23.062   2.0061   26.587   1.6219 -3.524727 2.579726 
1 1 1   -3   49   21 o   20.919   1.5488  437.773   62.827  430.820   90.456  444.253   87.329   20.742   2.2466   21.095   2.1326 -0.3529625 3.097596 
1 1 1   -3   49   22 o   33.174   1.0647  1082.37   68.363  1204.75   99.831  974.312   93.811   34.946   1.4716   31.403   1.5389 3.543056 2.129330 
1 1 1   -3   49   23 o   7.7556   2.3084   6.4013   62.021 -48.6122   86.682   64.107   88.778   6.5215   2.9960   8.9896   3.5127 -2.468120 4.616832 
1 1 1   -3   49   24 o   22.596   1.5585  519.994   68.309  493.870   94.795  548.210   98.519   21.999   2.2198   23.194   2.1882 -1.194729 3.117019 
1 1 1   -3   49   25 o   14.206   2.7228  245.573   76.273  209.382  129.153  264.955   94.516   13.086   4.3499   15.327   3.2761 -2.241034 5.445611 
1 1 1   -3   50    1 o   52.968   3.4895  2834.88   95.091  2836.85   95.989  2730.99  696.959   54.042   0.9150   51.894   6.9187 2.147800 6.978941 
1 1 1   -3   50    2 o   83.866   2.5692  6685.24  171.441  6663.76  175.241  7164.29  827.731   82.813   1.0901   84.918   5.0214 -2.104759 5.138348 
1 1 1   -3   50    3 o   29.888   4.7047  1286.72   70.139  1298.09   70.552  325.909  648.614   36.554   0.9943   23.222   9.3567 13.33162 9.409375 
1 1 1   -3   50    4 o   57.879   3.6476  3250.44  100.536  3247.90  101.312  3414.76  814.107   57.826   0.9026   57.933   7.2392 -0.1074257 7.295228 
1 1 1   -3   50    5 o   54.639   4.1070  3110.76  103.110  3114.68  103.908  2858.45  833.985   56.625   0.9453   52.654   8.1595 3.971107 8.214072 
1 1 1   -3   50    6 o   49.045   6.4802  2188.29   84.927  2184.64   85.116  3008.20  1275.62   47.423   0.9246   50.668   12.927 -3.245071 12.96048 
1 1 1   -3   50    7 o   40.993   0.9135  1632.53   72.696  1632.53   72.696   0.0000   0.0000   40.993   0.9135  ?   ?       ?      ? 
1 1 1   -3   50    8 o   38.460   1.0150  1437.32   75.781  1437.32   75.781   0.0000   0.0000   38.460   1.0150  ?   ?       ?      ? 
1 1 1   -3   50    9 o   31.995   0.9108  1006.77   55.163  1051.58   71.481  940.782   86.739   32.893   1.1195   31.097   1.4369 1.795301 1.821530 
1 1 1   -3   50   10 o   35.764   0.8435  1234.02   56.553  1207.68   70.911  1280.06   93.743   35.251   1.0363   36.277   1.3312 -1.025570 1.687002 
1 1 1   -3   50   11 o   22.497   1.1568  478.889   48.774  442.658   60.520  546.026   82.383   21.326   1.4619   23.669   1.7931 -2.342712 2.313518 
1 1 1   -3   50   12 o   46.678   0.8212  2113.42   71.098  2100.10   88.226  2138.08  120.076   46.482   0.9778   46.873   1.3197 -0.3905487 1.642441 
1 1 1   -3   50   13 o   79.862   0.9490  6220.98  139.530  6243.03  172.130  6178.74  238.272   80.111   1.1069   79.613   1.5418 0.4978943 1.897973 
1 1 1   -3   50   14 o   24.099   1.3716  566.350   64.047  614.365   93.493  523.891   87.917   25.060   1.9219   23.138   1.9574 1.922073 2.743175 
1 1 1   -3   50   15 o   43.002   0.9401  1802.59   78.459  1751.65  110.500  1854.38  111.423   42.388   1.3429   43.617   1.3160 -1.229179 1.880252 
1 1 1   -3   50   16 o   13.359   2.2628  183.527   58.555  234.933   85.645  138.408   80.237   15.103   3.0266   11.615   3.3645 3.487950 4.525557 
1 1 1   -3   50   17 o   40.129   0.9788  1573.97   76.180  1502.08  107.807  1645.68  107.663   39.207   1.4165   41.050   1.3511 -1.843742 1.957540 
1 1 1   -3   50   18 o   21.973   1.4708  477.555   62.671  467.396   90.094  487.081   87.236   21.736   2.1353   22.210   2.0234 -0.4744453 2.941659 
1 1 1   -3   50   19 o   25.446   1.2162  639.482   59.841  653.627   81.690  623.101   87.909   25.770   1.6330   25.123   1.8026 0.6470470 2.432323 
1 1 1   -3   50   20 o   39.179   0.9638  1507.25   73.270  1561.89  103.930  1453.26  103.311   39.891   1.3421   38.466   1.3836 1.425564 1.927596 
1 1 1   -3   50   21 o   25.311   1.3022  636.724   63.750  708.260   91.261  568.550   89.091   26.725   1.7591   23.896   1.9206 2.829151 2.604499 
1 1 1   -3   50   22 o   14.126   2.3221  217.505   62.673  253.486   90.885  184.882   86.542   15.300   3.1645   12.951   3.3993 2.348766 4.644291 
1 1 1   -3   50   23 o   6.0986   2.0374 -93.6963   64.032 -136.4143   89.408 -48.7148   91.746   5.4877   2.6653   6.7095   3.0823 -1.221785 4.074857 
1 1 1   -3   50   24 o   11.532   2.6035  151.280   66.487  123.922   93.832  178.867   94.223   10.635   3.7043   12.428   3.6593 -1.792927 5.206965 
1 1 1   -3   51    1 o   26.160   5.0244  764.818   64.962  768.256   65.202  300.351  757.868   28.115   1.1947   24.205   9.9776 3.909786 10.04889 
1 1 1   -3   51    2 o   76.941   3.0049  6193.27  162.833  6220.60  165.920  5479.22  848.072   80.012   1.0683   73.871   5.9142 6.140831 6.009877 
1 1 1   -3   51    3 o   60.081   3.1839  3263.23  102.127  3251.19  103.056  3922.12  762.161   57.852   0.9177   62.310   6.3013 -4.457916 6.367727 
1 1 1   -3   51    4 o   37.089   4.8600  1260.71   71.622  1257.14   71.982  1615.83  717.393   35.969   1.0309   38.209   9.6652 -2.240505 9.720076 
1 1 1   -3   51    5 o   53.595   5.2331  3064.80  101.989  3066.47  102.526  2906.46  997.288   56.181   0.9401   51.009   10.424 5.171928 10.46626 
1 1 1   -3   51    6 o   34.302   1.0819  1143.52   72.043  1143.52   72.043   0.0000   0.0000   34.302   1.0819  ?   ?       ?      ? 
1 1 1   -3   51    7 o   40.834   0.9831  1620.11   77.926  1620.11   77.926   0.0000   0.0000   40.834   0.9831  ?   ?       ?      ? 
1 1 1   -3   51    8 o   63.127   0.9828  3872.20  120.429  3872.20  120.429   0.0000   0.0000   63.127   0.9828  ?   ?       ?      ? 
1 1 1   -3   51    9 o   9.5827   2.0313   83.590   49.204  155.036   63.788 -21.3760   77.316   12.343   2.7343   6.8228   3.0048 5.519974 4.062671 
1 1 1   -3   51   10 o   40.601   0.8531  1646.20   64.197  1768.35   81.453  1445.91  104.303   42.656   0.9837   38.546   1.3940 4.110111 1.706102 
1 1 1   -3   51   11 o   27.499   1.0815  761.282   55.210  839.916   70.884  640.009   88.029   29.382   1.2428   25.616   1.7703 3.765451 2.162983 
1 1 1   -3   51   12 o   37.520   0.8448  1350.06   58.329  1309.42   71.346  1431.99  101.292   36.696   1.0016   38.344   1.3608 -1.648518 1.689698 
1 1 1   -3   51   13 f   17.277   1.7085  296.463   54.168  303.350   66.982  283.445   92.088   17.607   1.9598   16.948   2.7992 0.6590672 3.417059 
1 1 1   -3   51   14 o   8.8154   2.1547   43.802   46.961  -2.2014   57.979  131.542   80.071   6.2395   2.6752   11.391   3.3784 -5.151794 4.309351 
1 1 1   -3   51   15 o   47.276   0.9398  2173.82   86.110  2308.28  126.042  2056.14  117.920   48.642   1.3349   45.910   1.3232 2.731339 1.879527 
1 1 1   -3   51   16 o   20.340   1.5790  408.815   62.228  433.021   87.451  383.988   88.565   20.963   2.1490   19.717   2.3139 1.246035 3.157937 
1 1 1   -3   51   17 o   8.7795   2.3687   41.233   59.983  105.405   86.940 -17.0637   82.864   10.477   3.5692   7.0817   3.1150 3.395603 4.737369 
1 1 1   -3   51   18 o   18.697   1.7596  360.151   61.059  308.516   97.657  393.293   78.237   17.469   2.8799   19.926   2.0226 -2.457479 3.519213 
1 1 1   -3   51   19 o   14.571   2.1332  225.964   58.264  247.848   80.297  201.631   84.672   15.413   2.7864   13.730   3.2308 1.683223 4.266418 
1 1 1   -3   51   20 o   11.331   2.3849  130.954   60.479  201.764   86.400   62.924   84.686   13.689   3.2919   8.9737   3.4517 4.715095 4.769761 
1 1 1   -3   51   21 o   30.883   1.1369  945.100   68.115  922.165   97.180  967.249   95.500   30.502   1.6413   31.265   1.5736 -0.7630081 2.273756 
1 1 1   -3   51   22 o   23.810   1.4640  574.027   67.149  494.367   94.808  654.211   95.119   22.083   2.2117   25.538   1.9187 -3.455318 2.927990 
1 1 1   -3   51   23 o   27.083   1.3524  739.980   71.075  752.267   99.844  727.356  101.200   27.327   1.8822   26.839   1.9424 0.4881058 2.704733 
1 1 1   -3   52    1 o   49.754   4.6455  2426.20   90.088  2423.41   90.591  2675.75  856.671   49.944   0.9344   49.565   9.2438 0.3787308 9.290915 
1 1 1   -3   52    2 o   28.747   5.4268  687.903   65.913  685.688   66.141  1007.23  794.266   26.555   1.2831   30.938   10.777 -4.383644 10.85357 
1 1 1   -3   52    3 o   27.327   5.0230  824.606   68.704  827.495   69.023  513.462  716.288   29.175   1.2188   25.480   9.9719 3.695099 10.04607 
1 1 1   -3   52    4 o   32.963   5.6561  1436.37   75.457  1442.27   75.689  480.117  963.443   38.526   1.0121   27.400   11.267 11.12681 11.31221 
1 1 1   -3   52    5 o   38.855   1.0313  1467.09   77.787  1467.09   77.787   0.0000   0.0000   38.855   1.0313  ?   ?       ?      ? 
1 1 1   -3   52    6 o   22.780   1.4290  504.861   63.190  504.861   63.190   0.0000   0.0000   22.780   1.4290  ?   ?       ?      ? 
1 1 1   -3   52    7 o   35.596   0.9915  1231.28   68.507  1231.28   68.507   0.0000   0.0000   35.596   0.9915  ?   ?       ?      ? 
1 1 1   -3   52    8 o   14.878   2.2065  216.206   63.723  216.206   63.723   0.0000   0.0000   14.878   2.2065  ?   ?       ?      ? 
1 1 1   -3   52    9 o   22.053   1.2784  467.895   52.676  451.769   65.569  497.245   88.459   21.537   1.5684   22.568   2.0192 -1.031927 2.556760 
1 1 1   -3   52   10 o   28.392   1.0351  784.129   53.933  782.029   66.204  788.272   92.993   28.351   1.2029   28.432   1.6849 -0.8034706E-01 2.070270 
1 1 1   -3   52   11 o   32.992   0.9374  1031.10   57.622  963.348   71.031  1161.50   98.544   31.463   1.1630   34.521   1.4705 -3.057640 1.874849 
1 1 1   -3   52   12 o   36.760   0.9092  1319.05   63.136  1328.56   80.666  1304.01  101.439   36.947   1.1247   36.573   1.4288 0.3735580 1.818373 
1 1 1   -3   52   13 o   32.924   0.9265  1063.78   56.869  1083.26   71.484  1030.18   93.860   33.358   1.1039   32.491   1.4882 0.8670654 1.852929 
1 1 1   -3   52   14 o   33.638   0.9358  1112.19   58.966  1137.31   74.688  1070.61   96.073   34.169   1.1260   33.106   1.4950 1.062809 1.871585 
1 1 1   -3   52   15 o   13.731   2.2795  196.349   59.715  197.523   84.904  195.200   84.004   13.770   3.2318   13.691   3.2156 0.7918644E-01 4.558980 
1 1 1   -3   52   16 o   21.167   1.5504  445.435   63.079  374.299   89.096  516.929   89.319   19.432   2.3619   22.902   2.0091 -3.470240 3.100842 
1 1 1   -3   52   17 o   20.338   1.5699  411.779   61.393  485.364   88.207  342.638   85.502   22.138   2.0526   18.538   2.3761 3.600382 3.139853 
1 1 1   -3   52   18 o   13.129   2.4033  184.041   61.228  191.791   93.935  178.316   80.734   13.334   3.5617   12.925   3.2276 0.4095287 4.806549 
1 1 1   -3   52   19 o   22.743   1.3356  513.916   58.888  532.024   82.285  494.903   84.313   23.170   1.8295   22.317   1.9462 0.8532200 2.671117 
1 1 1   -3   52   20 o   19.915   1.6519  411.626   61.796  499.974   84.717  311.163   90.340   22.382   1.9499   17.449   2.6671 4.932802 3.303891 
1 1 1   -3   52   21 o   20.840   1.5634  437.897   62.978  496.804   91.724  385.358   86.624   22.192   2.1292   19.488   2.2899 2.704676 3.126847 
1 1 1   -3   52   22 o   10.648   2.5734  120.730   63.711  130.986   94.766  112.272   86.063   10.985   3.7265   10.312   3.5502 0.6728239 5.146880 
1 1 1   -3   52   23 o   7.6598   2.3725  -4.9868   68.587   40.745   99.224 -46.8307   94.913   8.5342   3.5717   6.7854   3.1238 1.748726 4.744993 
1 1 1   -3   53    1 o   23.126   4.8694  553.357   64.015  556.750   64.241   74.919  762.915   23.924   1.3833   22.328   9.6400 1.596127 9.738729 
1 1 1   -3   53    2 o   42.587   5.6865  2261.70   89.744  2268.98   90.205  1554.12  889.469   48.324   0.9616   36.850   11.332 11.47417 11.37291 
1 1 1   -3   53    3 o   60.975   5.6266  4541.43  132.338  4559.25  133.262  3269.25  1125.87   68.496   1.0022   53.453   11.209 15.04321 11.25324 
1 1 1   -3   53    4 o   56.338   0.9553  3084.03  104.478  3084.03  104.478   0.0000   0.0000   56.338   0.9553  ?   ?       ?      ? 
1 1 1   -3   53    5 o   29.312   1.1449  835.309   65.144  835.309   65.144   0.0000   0.0000   29.312   1.1449  ?   ?       ?      ? 
1 1 1   -3   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   53    7 o   24.956   1.3843  606.100   67.060  606.100   67.060   0.0000   0.0000   24.956   1.3843  ?   ?       ?      ? 
1 1 1   -3   53    8 o   14.375   2.3393  202.263   65.274  202.263   65.274   0.0000   0.0000   14.375   2.3393  ?   ?       ?      ? 
1 1 1   -3   53    9 o   33.705   0.9164  1119.55   58.445  1173.32   75.762  1040.51   91.852   34.730   1.1238   32.681   1.4479 2.048733 1.832809 
1 1 1   -3   53   10 o   39.477   0.8813  1497.68   64.751  1450.51   80.235  1585.80  109.650   38.613   1.0704   40.341   1.4002 -1.727322 1.762518 
1 1 1   -3   53   11 o   33.428   0.9688  1084.13   61.006  1069.01   77.190  1109.30   99.575   33.135   1.2001   33.721   1.5212 -0.5861473 1.937605 
1 1 1   -3   53   12 o   47.196   0.8056  2174.49   70.330  2187.45   87.268  2150.48  118.795   47.420   0.9480   46.971   1.3029 0.4492340 1.611292 
1 1 1   -3   53   13 o   34.977   0.8818  1187.62   58.766  1166.65   75.843  1219.12   92.959   34.606   1.1290   35.347   1.3548 -0.7412071 1.763542 
1 1 1   -3   53   14 o   11.002   2.1759  114.217   47.695   81.784   59.620  171.866   79.488   9.1535   2.9503   12.850   3.1991 -3.696237 4.351865 
1 1 1   -3   53   15 o   18.708   1.4500  349.902   50.099  361.906   62.586  328.489   83.586   19.209   1.6784   18.208   2.3649 1.001474 2.899993 
1 1 1   -3   53   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   53   17 o   7.3925   2.2733  -5.7760   60.901 -13.4725   88.297   1.2078   84.109   7.3293   3.2199   7.4557   3.2099 -0.1264257 4.546578 
1 1 1   -3   53   18 o   11.702   2.4042  144.930   57.581  159.228   86.670  133.633   77.041   12.177   3.4880   11.227   3.3097 0.9498873 4.808369 
1 1 1   -3   53   19 o   32.593   1.0638  1038.86   66.674  987.635   87.607  1109.38  102.783   31.673   1.4249   33.514   1.5799 -1.841053 2.127555 
1 1 1   -3   53   20 o   15.324   2.1290  251.699   61.698  341.145   88.881  168.515   85.714   18.277   2.5052   12.371   3.4430 5.906458 4.257949 
1 1 1   -3   53   21 o   9.2300   2.4908   74.706   61.850   76.396   91.880   73.306   83.638   9.3659   3.5970   9.0941   3.4463 0.2717800 4.981560 
1 1 1   -3   53   22 o   11.378   2.6183  145.736   66.790  167.023   94.200  124.216   94.712   12.068   3.6838   10.688   3.7217 1.380219 5.236611 
1 1 1   -3   54    1 o   47.101   6.0230  1806.08   84.782  1799.24   85.005  3105.99  1171.75   43.026   1.0178   51.176   12.003 -8.149311 12.04595 
1 1 1   -3   54    2 o   55.183   6.2027  3412.40  109.338  3414.68  109.784  3134.18  1213.48   59.279   0.9541   51.088   12.369 8.191013 12.40534 
1 1 1   -3   54    3 o   41.019   0.9843  1635.20   78.372  1635.20   78.372   0.0000   0.0000   41.019   0.9843  ?   ?       ?      ? 
1 1 1   -3   54    4 o   45.958   0.9644  2052.63   86.035  2052.63   86.035   0.0000   0.0000   45.958   0.9644  ?   ?       ?      ? 
1 1 1   -3   54    5 o   24.566   1.4185  587.458   67.642  587.458   67.642   0.0000   0.0000   24.566   1.4185  ?   ?       ?      ? 
1 1 1   -3   54    6 o   27.381   1.2560  729.490   66.757  729.490   66.757   0.0000   0.0000   27.381   1.2560  ?   ?       ?      ? 
1 1 1   -3   54    7 o   37.876   0.9757  1394.73   71.735  1394.73   71.735   0.0000   0.0000   37.876   0.9757  ?   ?       ?      ? 
1 1 1   -3   54    8 o   19.653   1.6764  376.938   63.955  376.938   63.955   0.0000   0.0000   19.653   1.6764  ?   ?       ?      ? 
1 1 1   -3   54    9 o   18.951   1.7334  350.808   63.769  350.808   63.769   0.0000   0.0000   18.951   1.7334  ?   ?       ?      ? 
1 1 1   -3   54   10 o   46.025   0.8132  2033.38   68.224  1980.42   82.735  2145.92  120.603   45.125   0.9445   46.926   1.3240 -1.801224 1.626355 
1 1 1   -3   54   11 o   12.671   2.1704  157.270   51.665  128.565   64.839  207.197   85.510   11.183   2.9458   14.158   3.1881 -2.974441 4.340704 
1 1 1   -3   54   12 o   7.8471   2.2380   26.100   52.048   10.216   67.777   48.931   81.258   7.0434   2.9502   8.6509   3.3661 -1.607563 4.475974 
1 1 1   -3   54   13 o   10.156   2.0589   67.860   48.602  -5.2028   60.180  204.894   82.417   6.2610   2.7053   14.051   3.1044 -7.789942 4.117776 
1 1 1   -3   54   14 o   27.886   1.0684  773.239   55.276  805.248   69.532  718.265   91.120   28.721   1.2472   27.052   1.7352 1.668354 2.136896 
1 1 1   -3   54   15 o   17.621   1.5644  306.813   52.430  301.438   67.454  315.016   83.332   17.464   1.9897   17.778   2.4147 -0.3137436 3.128871 
1 1 1   -3   54   16 o   23.029   1.4061  532.005   62.053  469.794   91.615  584.736   84.346   21.723   2.1726   24.334   1.7856 -2.611410 2.812203 
1 1 1   -3   54   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   54   18 o   29.460   1.2084  859.539   68.973  850.300  100.331  867.818   94.975   29.291   1.7646   29.629   1.6513 -0.3383179 2.416735 
1 1 1   -3   54   19 o   6.9724   2.1794 -15.4345   58.434   3.1667   80.912 -35.7124   84.479   7.2764   3.1405   6.6685   3.0228 0.6078844 4.358883 
1 1 1   -3   54   20 o   35.143   1.0555  1223.11   71.787  1225.47   97.886  1220.37  105.594   35.207   1.4323   35.078   1.5507 0.1284256 2.110975 
1 1 1   -3   54   21 o   12.563   2.4794  180.573   63.793  143.599   94.028  212.106   86.836   11.346   3.7087   13.780   3.2915 -2.433721 4.958699 
1 1 1   -3   54   22 o   26.234   1.4276  704.007   72.300  737.515   98.922  665.581  105.933   26.985   1.8885   25.483   2.1415 1.501205 2.855209 
1 1 1   -3   55    1 o   51.417   6.6254  3140.81  106.167  3143.96  106.557  2713.79  1242.04   56.873   0.9652   45.961   13.216 10.91230 13.25079 
1 1 1   -3   55    2 f   16.453   2.1306  264.623   68.045  264.623   68.045   0.0000   0.0000   16.453   2.1306  ?   ?       ?      ? 
1 1 1   -3   55    3 o   50.614   0.9716  2490.30   95.457  2490.30   95.457   0.0000   0.0000   50.614   0.9716  ?   ?       ?      ? 
1 1 1   -3   55    4 o   26.527   1.2864  684.957   66.245  684.957   66.245   0.0000   0.0000   26.527   1.2864  ?   ?       ?      ? 
1 1 1   -3   55    5 o   12.785   2.6694  166.572   64.111  166.572   64.111   0.0000   0.0000   12.785   2.6694  ?   ?       ?      ? 
1 1 1   -3   55    6 o   31.023   1.2524  937.018   75.422  937.018   75.422   0.0000   0.0000   31.023   1.2524  ?   ?       ?      ? 
1 1 1   -3   55    7 o   54.898   0.9715  2930.99  103.535  2930.99  103.535   0.0000   0.0000   54.898   0.9715  ?   ?       ?      ? 
1 1 1   -3   55    8 o   12.046   2.7287  148.736   62.330  148.736   62.330   0.0000   0.0000   12.046   2.7287  ?   ?       ?      ? 
1 1 1   -3   55    9 o   54.208   0.9717  2858.61  102.245  2858.61  102.245   0.0000   0.0000   54.208   0.9717  ?   ?       ?      ? 
1 1 1   -3   55   10 o   32.765   0.9610  1043.27   58.974  1032.36   74.049  1062.18   97.520   32.553   1.1718   32.977   1.5234 -0.4243889 1.921960 
1 1 1   -3   55   11 f   24.871   1.1477  609.728   52.850  620.881   65.888  589.607   88.500   25.223   1.3457   24.519   1.8594 0.7043552 2.295305 
1 1 1   -3   55   12 o   34.795   0.9152  1192.72   59.359  1223.33   74.752  1140.49   97.659   35.433   1.0868   34.156   1.4729 1.276402 1.830462 
1 1 1   -3   55   13 o   45.297   0.8271  2017.80   69.978  2063.05   88.278  1941.30  114.789   46.019   0.9882   44.575   1.3266 1.444340 1.654236 
1 1 1   -3   55   14 o   14.052   2.5922  203.281   68.102  203.281   68.102   0.0000   0.0000   14.052   2.5922  ?   ?       ?      ? 
1 1 1   -3   55   15 o   23.191   1.2132  531.507   51.741  534.193   63.822  526.357   88.377   23.336   1.4089   23.046   1.9755 0.2893696 2.426431 
1 1 1   -3   55   16 o   10.382   2.4233  103.054   60.760   41.451   86.833  162.152   85.049   8.4779   3.4208   12.285   3.4333 -3.807439 4.846629 
1 1 1   -3   55   17 o   25.430   1.3409  638.785   65.980  690.137   98.232  596.575   89.060   26.348   1.9206   24.511   1.8718 1.836418 2.681841 
1 1 1   -3   55   18 o   10.048   2.4547   88.184   63.128   19.749   87.387  162.873   91.293   7.9034   3.3322   12.193   3.6053 -4.289868 4.909323 
1 1 1   -3   55   19 o   13.604   2.3365  206.913   61.828  246.895   84.623  161.128   90.556   15.151   2.9834   12.056   3.5968 3.095423 4.673050 
1 1 1   -3   55   20 o   22.087   1.4772  493.743   63.246  501.557   92.161  486.788   86.954   22.231   2.1356   21.942   2.0414 0.2884426 2.954390 
1 1 1   -3   55   21 o   11.129   2.6532  138.463   68.149  161.621   99.276  117.826   93.719   11.821   3.8068   10.437   3.6969 1.383795 5.306471 
1 1 1   -3   56    1 o   34.539   1.1150  1160.67   74.755  1160.67   74.755   0.0000   0.0000   34.539   1.1150  ?   ?       ?      ? 
1 1 1   -3   56    2 o   29.578   1.2483  851.744   71.673  851.744   71.673   0.0000   0.0000   29.578   1.2483  ?   ?       ?      ? 
1 1 1   -3   56    3 o   69.872   1.0219  4748.54  138.610  4748.54  138.610   0.0000   0.0000   69.872   1.0219  ?   ?       ?      ? 
1 1 1   -3   56    4 o   13.615   2.6903  188.802   68.583  188.802   68.583   0.0000   0.0000   13.615   2.6903  ?   ?       ?      ? 
1 1 1   -3   56    5 o   51.954   0.9815  2625.25   98.986  2625.25   98.986   0.0000   0.0000   51.954   0.9815  ?   ?       ?      ? 
1 1 1   -3   56    6 o   26.980   1.3295  709.339   69.630  709.339   69.630   0.0000   0.0000   26.980   1.3295  ?   ?       ?      ? 
1 1 1   -3   56    7 o   26.864   1.2317  703.047   64.231  703.047   64.231   0.0000   0.0000   26.864   1.2317  ?   ?       ?      ? 
1 1 1   -3   56    8 o   56.245   0.9266  3077.44  101.170  3077.44  101.170   0.0000   0.0000   56.245   0.9266  ?   ?       ?      ? 
1 1 1   -3   56    9 o   25.705   1.3213  644.554   65.932  644.554   65.932   0.0000   0.0000   25.705   1.3213  ?   ?       ?      ? 
1 1 1   -3   56   10 o   14.363   1.9027  217.544   49.825  247.284   64.145  172.303   79.115   15.854   2.0843   12.873   3.1838 2.981112 3.805351 
1 1 1   -3   56   11 o   27.629   1.0716  734.770   55.644  701.290   69.688  793.660   92.425   26.798   1.3397   28.460   1.6730 -1.661730 2.143255 
1 1 1   -3   56   12 o   8.0155   2.0535   36.021   50.135  102.757   62.475 -84.6863   84.022   10.035   2.9861   5.9965   2.8196 4.038093 4.106906 
1 1 1   -3   56   13 o   18.807   1.5274  344.466   54.402  323.499   68.834  379.355   88.792   18.094   1.9598   19.519   2.3434 -1.425623 3.054860 
1 1 1   -3   56   14 f   31.912   0.9923  1012.25   59.262  1053.20   75.381  945.984   95.892   32.817   1.1833   31.007   1.5932 1.809875 1.984529 
1 1 1   -3   56   15 o   7.4676   2.1979   19.883   52.454   29.888   68.288   5.4854   81.923   7.4990   3.0309   7.4361   3.1839 0.6288242E-01 4.395870 
1 1 1   -3   56   16 o   11.428   2.2170  144.935   52.816  183.806   67.893   85.355   84.054   13.227   2.7346   9.6300   3.4903 3.596704 4.433988 
1 1 1   -3   56   17 o   16.992   1.9793  300.030   63.155  247.431   87.059  358.456   91.756   15.211   3.0546   18.772   2.5180 -3.561575 3.958592 
1 1 1   -3   56   18 o   31.435   1.2168  982.508   74.179  1006.06  107.748  961.286  102.277   31.781   1.7465   31.089   1.6948 0.6920280 2.433637 
1 1 1   -3   56   19 o   13.009   2.3003  191.384   60.852  262.714   84.059  112.844   88.205   15.645   2.8737   10.372   3.5928 5.272953 4.600677 
1 1 1   -3   56   20 o   9.2016   2.5205   74.950   64.085   70.914   87.646   79.587   93.939   9.0178   3.4995   9.3854   3.6283 -0.3675137 5.040954 
1 1 1   -3   57    1 f   32.839   1.1547  1049.83   73.610  1049.83   73.610   0.0000   0.0000   32.839   1.1547  ?   ?       ?      ? 
1 1 1   -3   57    2 o   32.022   1.1688  998.343   72.655  998.343   72.655   0.0000   0.0000   32.022   1.1688  ?   ?       ?      ? 
1 1 1   -3   57    3 o   13.722   2.4963  190.954   64.045  190.954   64.045   0.0000   0.0000   13.722   2.4963  ?   ?       ?      ? 
1 1 1   -3   57    4 o   13.235   2.5242  178.146   62.482  178.146   62.482   0.0000   0.0000   13.235   2.5242  ?   ?       ?      ? 
1 1 1   -3   57    5 o   23.479   1.5072  538.128   68.692  538.128   68.692   0.0000   0.0000   23.479   1.5072  ?   ?       ?      ? 
1 1 1   -3   57    6 o   31.137   1.1962  944.612   72.303  944.612   72.303   0.0000   0.0000   31.137   1.1962  ?   ?       ?      ? 
1 1 1   -3   57    7 o   40.070   1.0232  1563.07   79.584  1563.07   79.584   0.0000   0.0000   40.070   1.0232  ?   ?       ?      ? 
1 1 1   -3   57    8 o   21.635   1.6017  457.883   67.267  457.883   67.267   0.0000   0.0000   21.635   1.6017  ?   ?       ?      ? 
1 1 1   -3   57    9 o   16.922   2.0609  281.809   67.698  281.809   67.698   0.0000   0.0000   16.922   2.0609  ?   ?       ?      ? 
1 1 1   -3   57   10 o   42.401   1.0046  1751.26   82.686  1751.26   82.686   0.0000   0.0000   42.401   1.0046  ?   ?       ?      ? 
1 1 1   -3   57   11 o   17.236   1.6643  301.072   52.716  315.953   65.836  274.486   88.001   17.910   1.8937   16.561   2.7373 1.348228 3.328499 
1 1 1   -3   57   12 o   20.649   1.3999  401.074   54.714  323.386   68.954  533.142   89.904   18.085   1.9642   23.214   1.9951 -5.129093 2.799705 
1 1 1   -3   57   13 o   24.340   1.1963  572.354   54.596  541.077   68.041  628.895   91.483   23.467   1.4936   25.213   1.8692 -1.746246 2.392645 
1 1 1   -3   57   14 o   33.511   0.9468  1077.76   60.473  982.708   77.224  1228.46   97.239   31.665   1.2563   35.357   1.4168 -3.691952 1.893597 
1 1 1   -3   57   15 o   9.6929   2.0882   96.686   50.685  156.960   63.211 -11.8495   84.822   12.204   2.7359   7.1819   3.1555 5.021977 4.176377 
1 1 1   -3   57   16 o   16.253   1.7858  259.638   54.391  236.255   67.401  303.296   92.097   15.310   2.2679   17.195   2.7592 -1.884608 3.571613 
1 1 1   -3   57   17 o   7.6501   2.2675 -20.1791   64.981 -132.7754   94.189   82.089   89.766   5.7625   2.7836   9.5377   3.5801 -3.775219 4.534941 
1 1 1   -3   57   18 o   28.937   1.1948  834.564   67.071  835.147   96.635  834.023   93.165   28.932   1.7206   28.941   1.6583 -0.8462906E-02 2.389688 
1 1 1   -3   57   19 o   21.078   1.5885  450.014   64.403  374.100   86.814  542.928   96.044   19.072   2.3449   23.083   2.1434 -4.011032 3.176938 
1 1 1   -3   57   20 o   17.311   2.1179  339.128   66.726  428.141   91.038  235.804   98.084   20.352   2.3044   14.270   3.5542 6.081381 4.235836 
1 1 1   -3   58    1 o   25.327   1.3887  625.795   68.275  625.795   68.275   0.0000   0.0000   25.327   1.3887  ?   ?       ?      ? 
1 1 1   -3   58    2 o   34.291   1.1062  1145.11   73.637  1145.11   73.637   0.0000   0.0000   34.291   1.1062  ?   ?       ?      ? 
1 1 1   -3   58    3 o   8.7890   3.0243   70.598   62.453   70.598   62.453   0.0000   0.0000   8.7890   3.0243  ?   ?       ?      ? 
1 1 1   -3   58    4 o   58.328   0.9730  3311.07  110.163  3311.07  110.163   0.0000   0.0000   58.328   0.9730  ?   ?       ?      ? 
1 1 1   -3   58    5 o   22.998   1.3951  516.347   62.280  516.347   62.280   0.0000   0.0000   22.998   1.3951  ?   ?       ?      ? 
1 1 1   -3   58    6 o   20.994   1.5970  431.185   65.082  431.185   65.082   0.0000   0.0000   20.994   1.5970  ?   ?       ?      ? 
1 1 1   -3   58    7 o   33.902   1.1036  1120.00   72.626  1120.00   72.626   0.0000   0.0000   33.902   1.1036  ?   ?       ?      ? 
1 1 1   -3   58    8 o   28.696   1.2159  803.409   67.731  803.409   67.731   0.0000   0.0000   28.696   1.2159  ?   ?       ?      ? 
1 1 1   -3   58    9 o   5.7526   2.6049 -32.6916   62.546 -32.6916   62.546   0.0000   0.0000   5.7526   2.6049  ?   ?       ?      ? 
1 1 1   -3   58   10 o   11.635   2.8850  141.458   64.840  141.458   64.840   0.0000   0.0000   11.635   2.8850  ?   ?       ?      ? 
1 1 1   -3   58   11 o   26.072   1.1469  675.186   55.374  691.922   69.196  645.380   92.343   26.580   1.3411   25.564   1.8608 1.015642 2.293756 
1 1 1   -3   58   12 o   18.088   1.5351  328.337   50.380  332.688   61.509  319.470   87.820   18.359   1.7259   17.818   2.5390 0.5408096 3.070122 
1 1 1   -3   58   13 o   29.090   1.0719  835.637   58.603  843.417   74.348  822.874   95.230   29.323   1.3062   28.858   1.7000 0.4645481 2.143820 
1 1 1   -3   58   14 o   25.631   1.2668  650.595   62.908  598.075   87.824  705.939   90.154   24.554   1.8426   26.708   1.7389 -2.153973 2.533556 
1 1 1   -3   58   15 o   18.101   1.6529  314.382   56.459  262.088   70.466  408.147   94.357   16.131   2.2504   20.072   2.4217 -3.941341 3.305899 
1 1 1   -3   58   16 o   9.7432   2.4276   94.053   56.008   96.971   70.406   89.025   92.429   9.6907   3.2112   9.7956   3.6415 -0.1049061 4.855123 
1 1 1   -3   58   17 o   8.7197   1.9366   48.610   51.996  157.973   66.426 -124.4228   83.553   12.081   2.8742   5.3581   2.5963 6.723150 3.873228 
1 1 1   -3   58   18 o   13.690   2.3414  214.529   65.848  124.991   97.699  289.058   89.135   10.780   3.7785   16.600   2.7662 -5.819989 4.682825 
1 1 1   -3   58   19 o   9.7382   2.5197   97.478   62.075  100.499   83.980   93.838   92.164   9.7816   3.4958   9.6949   3.6299 0.8667755E-01 5.039481 
1 1 1   -3   59    1 f   26.307   1.2667  675.083   64.687  675.083   64.687   0.0000   0.0000   26.307   1.2667  ?   ?       ?      ? 
1 1 1   -3   59    2 o   24.200   1.4701  572.308   69.063  572.308   69.063   0.0000   0.0000   24.200   1.4701  ?   ?       ?      ? 
1 1 1   -3   59    3 o   11.242   2.9157  130.643   64.166  130.643   64.166   0.0000   0.0000   11.242   2.9157  ?   ?       ?      ? 
1 1 1   -3   59    4 o   42.167   1.0023  1731.48   82.041  1731.48   82.041   0.0000   0.0000   42.167   1.0023  ?   ?       ?      ? 
1 1 1   -3   59    5 o   37.919   1.0516  1400.80   77.404  1400.80   77.404   0.0000   0.0000   37.919   1.0516  ?   ?       ?      ? 
1 1 1   -3   59    6 o   39.732   1.0192  1537.95   78.606  1537.95   78.606   0.0000   0.0000   39.732   1.0192  ?   ?       ?      ? 
1 1 1   -3   59    7 o   16.826   1.9848  278.990   64.827  278.990   64.827   0.0000   0.0000   16.826   1.9848  ?   ?       ?      ? 
1 1 1   -3   59    8 o   19.196   1.7316  362.297   64.522  362.297   64.522   0.0000   0.0000   19.196   1.7316  ?   ?       ?      ? 
1 1 1   -3   59    9 o   22.565   1.5952  500.315   69.873  500.315   69.873   0.0000   0.0000   22.565   1.5952  ?   ?       ?      ? 
1 1 1   -3   59   10 o   18.882   1.7578  351.748   64.429  351.748   64.429   0.0000   0.0000   18.882   1.7578  ?   ?       ?      ? 
1 1 1   -3   59   11 o   6.4034   2.0128 -21.7320   48.378 -33.3671   60.747  -1.5579   79.991   5.5983   2.5476   7.2084   3.1168 -1.610024 4.025506 
1 1 1   -3   59   12 o   24.840   1.2067  599.302   56.020  572.674   69.643  648.115   94.293   24.125   1.4871   25.555   1.9008 -1.430067 2.413427 
1 1 1   -3   59   13 o   28.198   1.1076  787.016   57.521  793.105   71.119  775.500   97.813   28.429   1.2887   27.967   1.8017 0.4625130 2.215168 
1 1 1   -3   59   14 o   9.5755   2.3602   74.435   54.272   34.479   68.012  144.475   90.047   7.5750   3.0377   11.576   3.6132 -4.000951 4.720490 
1 1 1   -3   59   15 o   17.631   1.6877  298.102   56.081  236.082   70.140  408.022   93.377   15.240   2.3709   20.023   2.4024 -4.783163 3.375311 
1 1 1   -3   59   16 o   8.9601   2.2631   78.428   50.958  101.263   62.744   34.183   87.338   9.7521   3.0116   8.1680   3.3789 1.584086 4.526200 
1 1 1   -3   59   17 o   22.711   1.3569  524.019   58.344  541.338   75.511  498.363   91.907   23.282   1.6708   22.140   2.1385 1.141338 2.713808 
1 1 1   -3   59   18 o   18.690   1.8090  395.004   56.161  439.990   68.340  301.430   98.563   20.940   1.6813   16.441   3.2035 4.498890 3.617903 
1 1 1   -3   60    1 o   18.009   1.9164  318.969   66.995  318.969   66.995   0.0000   0.0000   18.009   1.9164  ?   ?       ?      ? 
1 1 1   -3   60    2 o   19.444   1.7996  371.285   67.924  371.285   67.924   0.0000   0.0000   19.444   1.7996  ?   ?       ?      ? 
1 1 1   -3   60    3 o   12.484   2.7186  161.137   64.015  161.137   64.015   0.0000   0.0000   12.484   2.7186  ?   ?       ?      ? 
1 1 1   -3   60    4 o   5.5004   2.5367 -46.9593   62.983 -46.9593   62.983   0.0000   0.0000   5.5004   2.5367  ?   ?       ?      ? 
1 1 1   -3   60    5 o   9.8922   3.0009   99.544   62.651   99.544   62.651   0.0000   0.0000   9.8922   3.0009  ?   ?       ?      ? 
1 1 1   -3   60    6 o   8.9543   3.0617   75.759   63.975   75.759   63.975   0.0000   0.0000   8.9543   3.0617  ?   ?       ?      ? 
1 1 1   -3   60    7 o   9.3695   3.0102   87.623   62.102   87.623   62.102   0.0000   0.0000   9.3695   3.0102  ?   ?       ?      ? 
1 1 1   -3   60    8 o   7.3568   2.8535   37.009   58.254   37.009   58.254   0.0000   0.0000   7.3568   2.8535  ?   ?       ?      ? 
1 1 1   -3   60    9 o   22.399   1.5334  493.528   66.671  493.528   66.671   0.0000   0.0000   22.399   1.5334  ?   ?       ?      ? 
1 1 1   -3   60   10 f   32.302   1.1906  1021.64   74.653  1021.64   74.653   0.0000   0.0000   32.302   1.1906  ?   ?       ?      ? 
1 1 1   -3   60   11 o   6.6173   2.8473   0.3309   66.103   0.3309   66.103   0.0000   0.0000   6.6173   2.8473  ?   ?       ?      ? 
1 1 1   -3   60   12 o   29.724   1.0237  853.034   55.343  823.030   66.873  918.248   98.588   28.980   1.1888   30.469   1.6669 -1.489225 2.047358 
1 1 1   -3   60   13 o   20.238   1.4678  398.020   55.930  361.905   69.782  462.895   93.527   19.050   1.8870   21.425   2.2488 -2.374874 2.935601 
1 1 1   -3   60   14 o   12.000   2.3035  148.607   53.477  121.846   66.503  197.574   89.959   10.636   3.0579   13.363   3.4457 -2.727048 4.606927 
1 1 1   -3   60   15 o   7.8720   2.2819   33.514   53.558   29.509   66.418   40.960   90.560   7.3131   2.9770   8.4309   3.4591 -1.117801 4.563735 
1 1 1   -3   60   16 o   7.2157   2.1943   9.4224   54.925   15.145   71.535   1.2030   85.731   7.0965   3.0046   7.3350   3.1988 -0.2384510 4.388598 
1 1 1   -3   60   17 o   8.2398   2.3729   46.081   58.604   49.008   74.424   41.303   95.075   8.0420   3.1933   8.4376   3.5107 -0.3955965 4.745764 
1 1 1   -3   61    1 o   16.877   1.9174  281.073   62.814  281.073   62.814   0.0000   0.0000   16.877   1.9174  ?   ?       ?      ? 
1 1 1   -3   61    2 o   26.377   1.2796  680.391   65.520  680.391   65.520   0.0000   0.0000   26.377   1.2796  ?   ?       ?      ? 
1 1 1   -3   61    3 o   12.313   2.8358  158.475   66.382  158.475   66.382   0.0000   0.0000   12.313   2.8358  ?   ?       ?      ? 
1 1 1   -3   61    4 o   21.801   1.5559  466.798   65.846  466.798   65.846   0.0000   0.0000   21.801   1.5559  ?   ?       ?      ? 
1 1 1   -3   61    5 o   18.532   1.8397  339.089   66.181  339.089   66.181   0.0000   0.0000   18.532   1.8397  ?   ?       ?      ? 
1 1 1   -3   61    6 o   16.926   2.0302  284.240   66.705  284.240   66.705   0.0000   0.0000   16.926   2.0302  ?   ?       ?      ? 
1 1 1   -3   61    7 o   23.014   1.5285  521.023   68.285  521.023   68.285   0.0000   0.0000   23.014   1.5285  ?   ?       ?      ? 
1 1 1   -3   61    8 o   32.236   1.1242  1016.48   70.346  1016.48   70.346   0.0000   0.0000   32.236   1.1242  ?   ?       ?      ? 
1 1 1   -3   61    9 o   31.801   1.2077  990.506   74.553  990.506   74.553   0.0000   0.0000   31.801   1.2077  ?   ?       ?      ? 
1 1 1   -3   61   10 o   14.426   2.3743  209.404   66.489  209.404   66.489   0.0000   0.0000   14.426   2.3743  ?   ?       ?      ? 
1 1 1   -3   61   11 o   14.352   2.3057  207.582   64.238  207.582   64.238   0.0000   0.0000   14.352   2.3057  ?   ?       ?      ? 
1 1 1   -3   61   12 o   9.2959   2.3790   73.083   54.309   47.305   68.426  116.965   89.278   7.9621   3.0915   10.630   3.6169 -2.667585 4.758070 
1 1 1   -3   61   13 o   8.4890   2.2263   58.628   53.262  101.641   66.886 -15.9169   88.053   9.8224   3.1206   7.1556   3.1761 2.666853 4.452661 
1 1 1   -3   61   14 o   15.004   2.0280  241.949   55.862  251.703   71.063  226.172   90.376   15.709   2.3304   14.299   3.3198 1.410137 4.056043 
1 1 1   -3   61   15 o   12.066   2.3585  150.665   56.802  106.498   71.508  226.183   93.505   9.9600   3.2332   14.172   3.4347 -4.212372 4.717073 
1 1 1   -3   61   16 o   14.386   2.1038  225.758   54.479  226.655   66.417  223.915   95.241   14.821   2.3085   13.950   3.5178 0.8710499 4.207601 
1 1 1   -3   62    1 o   11.856   2.6742  146.955   60.079  146.955   60.079   0.0000   0.0000   11.856   2.6742  ?   ?       ?      ? 
1 1 1   -3   62    2 o   30.578   1.2268  915.072   72.823  915.072   72.823   0.0000   0.0000   30.578   1.2268  ?   ?       ?      ? 
1 1 1   -3   62    3 o   19.420   1.7477  372.361   65.886  372.361   65.886   0.0000   0.0000   19.420   1.7477  ?   ?       ?      ? 
1 1 1   -3   62    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   62    5 o   19.435   1.7492  373.448   65.993  373.448   65.993   0.0000   0.0000   19.435   1.7492  ?   ?       ?      ? 
1 1 1   -3   62    6 o   12.463   2.8466  164.094   67.355  164.094   67.355   0.0000   0.0000   12.463   2.8466  ?   ?       ?      ? 
1 1 1   -3   62    7 o   23.261   1.5368  532.896   69.394  532.896   69.394   0.0000   0.0000   23.261   1.5368  ?   ?       ?      ? 
1 1 1   -3   62    8 o   13.355   2.5761  185.888   64.362  185.888   64.362   0.0000   0.0000   13.355   2.5761  ?   ?       ?      ? 
1 1 1   -3   62    9 o   27.381   1.2699  735.833   67.495  735.833   67.495   0.0000   0.0000   27.381   1.2699  ?   ?       ?      ? 
1 1 1   -3   62   10 o   8.9468   3.1418   76.941   67.564   76.941   67.564   0.0000   0.0000   8.9468   3.1418  ?   ?       ?      ? 
1 1 1   -3   62   11 o   5.6107   2.6115 -54.6761   69.113 -54.6761   69.113   0.0000   0.0000   5.6107   2.6115  ?   ?       ?      ? 
1 1 1   -3   62   12 o   8.0073   2.2254   25.138   52.565 -21.2050   67.260   97.860   84.255   6.1235   2.7430   9.8911   3.5050 -3.767589 4.450762 
1 1 1   -3   62   13 o   15.818   1.9426  269.769   55.754  288.623   71.161  239.797   89.721   16.868   2.1733   14.768   3.2204 2.099532 3.885112 
1 1 1   -3   62   14 o   21.284   1.4684  458.638   58.912  455.255   74.864  464.140   95.475   21.292   1.8113   21.276   2.3118 0.1613808E-01 2.936849 
1 1 1   -3   62   15 o   15.411   2.0248  262.171   54.656  272.697   66.438  240.130   96.134   16.341   2.0945   14.482   3.4659 1.858553 4.049642 
1 1 1   -3   63    1 o   7.9179   3.0401   46.904   65.620   46.904   65.620   0.0000   0.0000   7.9179   3.0401  ?   ?       ?      ? 
1 1 1   -3   63    2 o   18.653   1.8040  344.564   65.323  344.564   65.323   0.0000   0.0000   18.653   1.8040  ?   ?       ?      ? 
1 1 1   -3   63    3 o   12.339   2.7678  160.386   64.664  160.386   64.664   0.0000   0.0000   12.339   2.7678  ?   ?       ?      ? 
1 1 1   -3   63    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -3   63    5 o   10.937   3.0611  126.788   67.556  126.788   67.556   0.0000   0.0000   10.937   3.0611  ?   ?       ?      ? 
1 1 1   -3   63    6 o   13.985   2.5300  203.212   66.154  203.212   66.154   0.0000   0.0000   13.985   2.5300  ?   ?       ?      ? 
1 1 1   -3   63    7 o   12.460   2.8868  165.303   68.455  165.303   68.455   0.0000   0.0000   12.460   2.8868  ?   ?       ?      ? 
1 1 1   -3   63    8 o   13.083   2.8190  181.951   69.480  181.951   69.480   0.0000   0.0000   13.083   2.8190  ?   ?       ?      ? 
1 1 1   -3   63    9 f   8.3110   3.1294   58.184   68.688   58.184   68.688   0.0000   0.0000   8.3110   3.1294  ?   ?       ?      ? 
1 1 1   -3   63   10 o   12.668   2.7186  171.071   64.851  171.071   64.851   0.0000   0.0000   12.668   2.7186  ?   ?       ?      ? 
1 1 1   -3   63   11 o   5.3155   2.5238 -77.1048   70.437 -77.1048   70.437   0.0000   0.0000   5.3155   2.5238  ?   ?       ?      ? 
1 1 1   -3   63   12 o   9.8208   3.2188  102.202   70.808  102.202   70.808   0.0000   0.0000   9.8208   3.2188  ?   ?       ?      ? 
1 1 1   -3   63   13 o   19.443   1.5740  382.912   57.125  373.107   71.287  400.506   95.495   19.230   1.9097   19.657   2.5026 -0.4271011 3.148049 
1 1 1   -3   63   14 o   17.249   1.9775  336.615   59.067  375.394   73.526  266.041   99.189   19.222   1.9705   15.276   3.4291 3.946593 3.954973 
1 1 1   -3   64    1 o   7.0184   2.9190   17.140   65.687   17.140   65.687   0.0000   0.0000   7.0184   2.9190  ?   ?       ?      ? 
1 1 1   -3   64    2 f   27.429   1.3285  739.015   70.735  739.015   70.735   0.0000   0.0000   27.429   1.3285  ?   ?       ?      ? 
1 1 1   -3   64    3 o   28.909   1.2482  819.945   70.048  819.945   70.048   0.0000   0.0000   28.909   1.2482  ?   ?       ?      ? 
1 1 1   -3   64    4 o   23.067   1.4951  524.725   66.946  524.725   66.946   0.0000   0.0000   23.067   1.4951  ?   ?       ?      ? 
1 1 1   -3   64    5 o   19.760   1.8364  388.478   70.441  388.478   70.441   0.0000   0.0000   19.760   1.8364  ?   ?       ?      ? 
1 1 1   -3   64    6 o   17.838   1.8835  317.352   65.219  317.352   65.219   0.0000   0.0000   17.838   1.8835  ?   ?       ?      ? 
1 1 1   -3   64    7 o   14.134   2.5674  209.627   67.848  209.627   67.848   0.0000   0.0000   14.134   2.5674  ?   ?       ?      ? 
1 1 1   -3   64    8 o   13.019   2.6978  180.221   65.937  180.221   65.937   0.0000   0.0000   13.019   2.6978  ?   ?       ?      ? 
1 1 1   -3   64    9 o   12.910   2.5299  176.078   61.136  176.078   61.136   0.0000   0.0000   12.910   2.5299  ?   ?       ?      ? 
1 1 1   -3   64   10 o   26.175   1.4028  677.444   71.274  677.444   71.274   0.0000   0.0000   26.175   1.4028  ?   ?       ?      ? 
1 1 1   -3   64   11 o   22.210   1.7306  493.506   74.614  493.506   74.614   0.0000   0.0000   22.210   1.7306  ?   ?       ?      ? 
1 1 1   -3   64   12 o   16.238   2.3153  271.409   72.983  271.409   72.983   0.0000   0.0000   16.238   2.3153  ?   ?       ?      ? 
1 1 1   -3   64   13 o   18.758   1.9956  431.909   59.884  528.389   73.865  246.892  102.289   22.951   1.6580   14.565   3.6306 8.385891 3.991279 
1 1 1   -3   65    1 o   10.423   2.9340  115.986   61.875  115.986   61.875   0.0000   0.0000   10.423   2.9340  ?   ?       ?      ? 
1 1 1   -3   65    2 o   19.453   1.8107  376.843   68.373  376.843   68.373   0.0000   0.0000   19.453   1.8107  ?   ?       ?      ? 
1 1 1   -3   65    3 o   42.598   1.0379  1776.54   85.826  1776.54   85.826   0.0000   0.0000   42.598   1.0379  ?   ?       ?      ? 
1 1 1   -3   65    4 o   16.482   2.1443  273.668   68.605  273.668   68.605   0.0000   0.0000   16.482   2.1443  ?   ?       ?      ? 
1 1 1   -3   65    5 o   13.851   2.5938  202.153   67.177  202.153   67.177   0.0000   0.0000   13.851   2.5938  ?   ?       ?      ? 
1 1 1   -3   65    6 o   21.317   1.6482  451.547   68.202  451.547   68.202   0.0000   0.0000   21.317   1.6482  ?   ?       ?      ? 
1 1 1   -3   65    7 o   22.642   1.6136  509.334   70.921  509.334   70.921   0.0000   0.0000   22.642   1.6136  ?   ?       ?      ? 
1 1 1   -3   65    8 o   28.590   1.3508  807.117   74.969  807.117   74.969   0.0000   0.0000   28.590   1.3508  ?   ?       ?      ? 
1 1 1   -3   65    9 o   9.5053   3.0517   95.820   63.835   95.820   63.835   0.0000   0.0000   9.5053   3.0517  ?   ?       ?      ? 
1 1 1   -3   65   10 o   4.3873   2.1527 -116.8378   62.793 -116.8378   62.793   0.0000   0.0000   4.3873   2.1527  ?   ?       ?      ? 
1 1 1   -3   65   11 o   6.1419   2.7879 -28.3441   72.173 -28.3441   72.173   0.0000   0.0000   6.1419   2.7879  ?   ?       ?      ? 
1 1 1   -3   66    1 o   6.4765   2.8485  -9.0934   69.272  -9.0934   69.272   0.0000   0.0000   6.4765   2.8485  ?   ?       ?      ? 
1 1 1   -3   66    2 o   6.6046   2.8430   3.0565   65.954   3.0565   65.954   0.0000   0.0000   6.6046   2.8430  ?   ?       ?      ? 
1 1 1   -3   66    3 o   4.3905   2.1622 -130.7330   65.258 -130.7330   65.258   0.0000   0.0000   4.3905   2.1622  ?   ?       ?      ? 
1 1 1   -3   66    4 o   40.646   1.0536  1619.85   83.130  1619.85   83.130   0.0000   0.0000   40.646   1.0536  ?   ?       ?      ? 
1 1 1   -3   66    5 o   15.440   2.2711  242.635   68.068  242.635   68.068   0.0000   0.0000   15.440   2.2711  ?   ?       ?      ? 
1 1 1   -3   66    6 o   11.083   3.1439  134.784   70.765  134.784   70.765   0.0000   0.0000   11.083   3.1439  ?   ?       ?      ? 
1 1 1   -3   66    7 o   7.7444   3.0737   42.406   68.926   42.406   68.926   0.0000   0.0000   7.7444   3.0737  ?   ?       ?      ? 
1 1 1   -3   66    8 o   13.911   2.7028  208.124   70.354  208.124   70.354   0.0000   0.0000   13.911   2.7028  ?   ?       ?      ? 
1 1 1   -3   66    9 o   8.2449   3.0655   62.823   65.508   62.823   65.508   0.0000   0.0000   8.2449   3.0655  ?   ?       ?      ? 
1 1 1   -3   66   10 o   9.3771   3.2547   92.628   72.405   92.628   72.405   0.0000   0.0000   9.3771   3.2547  ?   ?       ?      ? 
1 1 1   -3   67    1 o   11.538   3.1099  146.535   71.232  146.535   71.232   0.0000   0.0000   11.538   3.1099  ?   ?       ?      ? 
1 1 1   -3   67    2 o   17.326   2.0757  303.945   69.813  303.945   69.813   0.0000   0.0000   17.326   2.0757  ?   ?       ?      ? 
1 1 1   -3   67    3 o   15.866   2.1754  256.084   67.000  256.084   67.000   0.0000   0.0000   15.866   2.1754  ?   ?       ?      ? 
1 1 1   -3   67    4 o   10.460   2.9830  119.510   63.530  119.510   63.530   0.0000   0.0000   10.460   2.9830  ?   ?       ?      ? 
1 1 1   -3   67    5 o   12.119   2.8937  160.810   67.132  160.810   67.132   0.0000   0.0000   12.119   2.8937  ?   ?       ?      ? 
1 1 1   -3   67    6 o   9.6417   3.1501   99.847   67.839   99.847   67.839   0.0000   0.0000   9.6417   3.1501  ?   ?       ?      ? 
1 1 1   -3   67    7 o   9.2297   3.1459   89.682   67.541   89.682   67.541   0.0000   0.0000   9.2297   3.1459  ?   ?       ?      ? 
1 1 1   -3   67    8 o   6.8405   2.9752   3.0140   73.745   3.0140   73.745   0.0000   0.0000   6.8405   2.9752  ?   ?       ?      ? 
1 1 1   -3   68    1 o   8.6039   3.0808   73.104   65.255   73.104   65.255   0.0000   0.0000   8.6039   3.0808  ?   ?       ?      ? 
1 1 1   -3   68    2 o   6.8222   2.9204   9.9210   68.896   9.9210   68.896   0.0000   0.0000   6.8222   2.9204  ?   ?       ?      ? 
1 1 1   -3   68    3 o   13.074   2.8368  187.260   69.926  187.260   69.926   0.0000   0.0000   13.074   2.8368  ?   ?       ?      ? 
1 1 1   -3   68    4 o   7.9095   3.0915   50.232   68.780   50.232   68.780   0.0000   0.0000   7.9095   3.0915  ?   ?       ?      ? 
1 1 1   -3   68    5 o   22.015   1.8159  489.310   77.600  489.310   77.600   0.0000   0.0000   22.015   1.8159  ?   ?       ?      ? 
1 1 1   -2    0    1 o  311.133   2.4293 94035.63  1466.75 94866.55  2087.91 93226.03  2060.95  312.489   3.4429  309.776   3.4283 -0.000000 0.000000 
1 1 1   -2    0    2 o   73.344   1.7359  5356.44  161.479  5395.25  172.749  5087.77  454.521   74.526   1.1948   72.163   3.2598 -0.000000 0.000000 
1 1 1   -2    0    3 o  123.190   2.2549 14766.65  538.382 14766.28  757.924 14767.03  764.899  123.190   3.1742  123.190   3.2035 -0.000000 0.000000 
1 1 1   -2    0    4 f   36.688   2.4201  1340.78  168.902  1328.29  238.695  1353.30  239.031   36.508   3.4382   36.867   3.4069 -0.000000 0.000000 
1 1 1   -2    0    5 o  319.319   2.1780 98727.98  1265.34 98194.48  1539.23 99839.99  2222.25  318.019   2.4937  320.618   3.5716 -0.000000 0.000000 
1 1 1   -2    0    6 o   39.579   0.5057  1520.83   38.798  1549.42   56.129  1494.67   53.689   39.935   0.7246   39.223   0.7057 -0.000000 0.000000 
1 1 1   -2    0    7 o  145.965   1.2184 20689.84  345.117 20834.57  489.392 20546.66  486.757  146.473   1.7217  145.457   1.7244 -0.000000 0.000000 
1 1 1   -2    0    8 f  115.334   1.0811 12919.30  241.949 12852.31  340.616 12987.53  343.739  115.032   1.5260  115.636   1.5319 -0.000000 0.000000 
1 1 1   -2    0    9 o  136.685   1.1937 18143.65  316.607 17889.41  445.013 18404.24  450.538  135.715   1.6898  137.655   1.6866 -0.000000 0.000000 
1 1 1   -2    0   10 o  377.775   1.9096 138601.41  1400.13 137884.00  1966.42 139339.09  1994.04  376.785   2.6888  378.766   2.7124 -0.000000 0.000000 
1 1 1   -2    0   11 o  104.863   1.0465 10680.44  212.934 10746.99  301.205 10613.96  301.062  105.190   1.4758  104.536   1.4843 -0.000000 0.000000 
1 1 1   -2    0   12 o   91.153   0.9548  8068.80  168.822  7995.53  235.995  8145.58  241.604   90.730   1.3406   91.577   1.3598 -0.000000 0.000000 
1 1 1   -2    0   13 o  327.644   1.7253 104226.20  1097.14 103637.90  1544.07 104826.00  1559.22  326.711   2.4350  328.578   2.4449 -0.000000 0.000000 
1 1 1   -2    0   14 o  291.246   1.6811 82338.50  950.125 81044.30  1328.38 83694.09  1359.53  288.903   2.3690  293.588   2.3859 -0.000000 0.000000 
1 1 1   -2    0   15 o  209.165   1.5196 42475.11  616.783 41610.46  865.323 43368.07  879.373  207.000   2.1540  211.329   2.1441 -0.000000 0.000000 
1 1 1   -2    0   16 o  305.232   1.7552 90452.32  1039.67 89441.63  1455.89 91504.10  1485.17  303.492   2.4716  306.971   2.4928 -0.000000 0.000000 
1 1 1   -2    0   17 o  150.879   1.3249 22094.91  387.774 21390.66  540.529 22841.71  556.615  148.402   1.8770  153.356   1.8704 -0.000000 0.000000 
1 1 1   -2    0   18 o   87.155   1.0119  7374.67  171.005  7060.75  238.579  7706.34  245.233   85.247   1.4427   89.064   1.4193 -0.000000 0.000000 
1 1 1   -2    0   19 o   32.427   1.0595  1023.83   66.246  1106.05   96.888  951.636   90.783   33.654   1.4897   31.200   1.5070 -0.000000 0.000000 
1 1 1   -2    0   20 o   77.963   1.0118  5908.16  152.981  5991.14  215.484  5823.83  217.223   78.517   1.4148   77.410   1.4467 -0.000000 0.000000 
1 1 1   -2    0   21 o  165.063   1.4592 26480.07  467.374 26449.34  659.851 26511.00  662.087  164.967   2.0613  165.159   2.0659 -0.000000 0.000000 
1 1 1   -2    0   22 o   14.796   2.5592  247.593   63.479  246.474   93.632  248.545   86.355   14.639   3.8129   14.953   3.4145 -0.000000 0.000000 
1 1 1   -2    0   23 o  149.012   1.4192 21587.99  410.324 21341.47  578.264 21837.99  582.329  148.154   2.0115  149.870   2.0025 -0.000000 0.000000 
1 1 1   -2    0   24 o   76.321   1.0360  5663.44  153.325  5498.12  215.835  5831.85  217.848   75.194   1.4800   77.448   1.4502 -0.000000 0.000000 
1 1 1   -2    0   25 o   40.262   1.1118  1573.23   86.259  1678.84  129.103  1488.07  115.935   41.476   1.6090   39.048   1.5349 -0.000000 0.000000 
1 1 1   -2    0   26 o   83.860   1.1951  6825.46  194.047  7139.52  284.669  6552.85  265.211   85.657   1.7136   82.063   1.6664 -0.000000 0.000000 
1 1 1   -2    0   27 o   40.019   1.2045  1558.37   92.831  1641.76  138.729  1490.76  124.920   40.981   1.7511   39.057   1.6544 -0.000000 0.000000 
1 1 1   -2    0   28 o  116.454   1.5105 13210.48  341.113 13453.85  489.238 12980.24  475.853  117.496   2.1466  115.412   2.1256 -0.000000 0.000000 
1 1 1   -2    0   29 f   49.363   1.1758  2378.88  112.342  2300.00  157.453  2460.67  160.339   48.524   1.6761   50.202   1.6494 -0.000000 0.000000 
1 1 1   -2    0   30 o   19.124   2.5069  394.980   83.402  385.534  121.024  403.523  115.096   18.781   3.7386   19.468   3.3409 -0.000000 0.000000 
1 1 1   -2    0   31 f   21.504   2.4419  504.989   88.694  398.943  131.867  592.597  119.856   18.863   4.1104   24.144   2.6372 -0.000000 0.000000 
1 1 1   -2    0   32 o   29.906   1.6651  913.332   93.165  752.802  136.272  1054.21  127.660   27.228   2.6350   32.585   2.0365 -0.000000 0.000000 
1 1 1   -2    0   33 o   15.686   3.2337  299.226   85.787  377.549  132.169  242.207  112.769   17.914   4.3884   13.459   4.7506 -0.000000 0.000000 
1 1 1   -2    0   34 o   24.761   2.0903  632.518   95.716  742.618  145.219  547.946  127.275   26.751   2.8811   22.771   3.0293 -0.000000 0.000000 
1 1 1   -2    0   35 o   6.7620   3.0574   29.030   90.579  -4.5188  139.411   53.539  119.156   6.4714   4.2762   7.0525   4.3709 -0.000000 0.000000 
1 1 1   -2    1    1 o  323.168   1.7318 101388.20  1086.15 102969.20  1557.41 99891.10  1515.54  325.618   2.4639  320.717   2.4343 4.901581 3.463660 
1 1 1   -2    1    2 o  220.815   1.6293 47344.23  698.365 47941.81  993.423 46760.37  981.950  222.193   2.3032  219.438   2.3052 2.754959 3.258676 
1 1 1   -2    1    3 o  239.581   1.6660 55703.45  774.534 57313.55  1113.34 54193.34  1078.22  242.934   2.3609  236.229   2.3513 6.704773 3.332026 
1 1 1   -2    1    4 o  310.055   1.5948 93415.19  941.346 92969.59  1482.24 93716.41  1218.66  309.422   2.4678  310.687   2.0207 -1.264099 3.189500 
1 1 1   -2    1    5 o  252.223   1.3915 61757.41  681.273 61946.31  962.922 61568.08  964.011  252.610   1.9637  251.837   1.9720 0.7725677 2.782937 
1 1 1   -2    1    6 o  256.028   1.2749 63530.98  618.451 63159.18  791.554 64113.60  990.886  255.074   1.5986  256.983   1.9863 -1.908813 2.549747 
1 1 1   -2    1    7 o  122.642   0.7813 14599.99  186.008 14547.75  262.613 14652.58  263.499  122.422   1.1051  122.862   1.1048 -0.4402924 1.562642 
1 1 1   -2    1    8 o  164.147   0.9224 26158.04  293.920 25991.98  414.677 26325.69  416.661  163.623   1.3056  164.670   1.3035 -1.047089 1.844872 
1 1 1   -2    1    9 o  198.242   0.9968 38155.20  383.590 38405.95  544.202 37907.59  540.770  198.889   1.4096  197.594   1.4098 1.294617 1.993625 
1 1 1   -2    1   10 o  356.090   1.3321 123132.90  920.810 122972.00  1299.47 123295.10  1304.99  355.857   1.8812  356.323   1.8867 -0.4666748 2.664268 
1 1 1   -2    1   11 o   77.419   0.6052  5816.18   90.935  5949.57  129.752  5687.42  127.480   78.291   0.8538   76.547   0.8579 1.744270 1.210355 
1 1 1   -2    1   12 o  171.423   0.9513 28524.87  316.544 28466.13  447.422 28583.73  447.901  171.246   1.3460  171.599   1.3446 -0.3533936 1.902532 
1 1 1   -2    1   13 o  192.697   1.0101 36044.94  377.829 35905.50  534.119 36184.61  534.544  192.324   1.4307  193.070   1.4263 -0.7461243 2.020166 
1 1 1   -2    1   14 o  361.461   1.2760 126834.40  895.279 127705.40  1273.87 125984.30  1258.50  362.687   1.8094  360.235   1.7997 2.451813 2.552017 
1 1 1   -2    1   15 o  215.595   1.0900 45122.47  456.181 45357.46  646.470 44889.41  643.813  216.154   1.5407  215.036   1.5424 1.118210 2.180052 
1 1 1   -2    1   16 o  167.442   0.9846 27217.21  320.042 27235.51  453.094 27198.98  452.123  167.499   1.3935  167.386   1.3915 0.1123199 1.969280 
1 1 1   -2    1   17 o  138.999   0.9267 18756.69  250.033 18737.79  352.734 18775.77  354.471  138.929   1.3079  139.070   1.3131 -0.1405945 1.853334 
1 1 1   -2    1   18 o  133.874   0.9051 17399.99  235.205 17481.56  333.876 17319.63  331.397  134.186   1.2818  133.563   1.2782 0.6228485 1.810185 
1 1 1   -2    1   19 o  128.595   0.8953 16055.28  223.471 15867.56  314.523 16246.66  317.572  127.836   1.2675  129.354   1.2647 -1.518196 1.790523 
1 1 1   -2    1   20 o   93.986   0.7859  8576.24  143.373  8654.06  203.386  8499.36  202.140   94.409   1.1098   93.562   1.1130 0.8477173 1.571742 
1 1 1   -2    1   21 o  143.377   0.9832 19967.91  273.632 20113.97  387.842 19823.16  386.111  143.899   1.3885  142.855   1.3924 1.044373 1.966337 
1 1 1   -2    1   22 o   32.207   0.8009  1007.90   50.038  990.061   71.655  1024.87   69.905   31.928   1.1561   32.485   1.1086 -0.5573177 1.601731 
1 1 1   -2    1   23 o   67.427   0.7112  4414.50   93.076  4461.47  132.940  4369.34  130.357   67.778   1.0104   67.075   1.0012 0.7031250 1.422424 
1 1 1   -2    1   24 o  111.808   0.9112 12146.24  197.762 12248.09  280.275 12045.24  279.085  112.275   1.2860  111.341   1.2913 0.9341049 1.822393 
1 1 1   -2    1   25 o   37.097   0.8242  1336.89   59.345  1352.01   84.589  1322.23   83.278   37.303   1.1682   36.890   1.1629 0.4129219 1.648334 
1 1 1   -2    1   26 o  111.976   1.0260 12193.15  223.004 12265.82  317.035 12121.97  313.741  112.306   1.4543  111.646   1.4476 0.6595001 2.051954 
1 1 1   -2    1   27 o   44.118   0.8057  1891.60   68.995  1909.51   98.478  1874.33   96.694   44.323   1.1446   43.913   1.1343 0.4096031 1.611451 
1 1 1   -2    1   28 o   38.785   0.9017  1464.63   67.817  1422.70   97.246  1504.33   94.622   38.242   1.3100   39.329   1.2394 -1.086586 1.803388 
1 1 1   -2    1   29 o   69.720   0.8106  4727.50  109.670  4572.85  153.027  4890.81  157.254   68.548   1.1500   70.892   1.1427 -2.344360 1.621219 
1 1 1   -2    1   30 o   28.855   1.1210  813.339   62.742  768.683   87.742  860.064   89.753   28.042   1.6119   29.669   1.5584 -1.626900 2.242079 
1 1 1   -2    1   31 o   44.968   0.8502  1971.15   74.155  2022.27  107.429  1924.62  102.488   45.522   1.2157   44.415   1.1887 1.107323 1.700314 
1 1 1   -2    1   32 o   15.499   2.1539  253.641   63.048  310.799   87.957  193.236   90.421   17.573   2.5784   13.424   3.4509 4.149332 4.307766 
1 1 1   -2    1   33 o   31.037   1.0960  950.434   66.007  983.578   93.573  917.609   93.123   31.583   1.5263   30.491   1.5733 1.092495 2.192005 
1 1 1   -2    1   34 o   11.283   2.5215  133.126   65.263  197.941   93.739   72.157   90.916   13.306   3.5595   9.2595   3.5723 4.046789 5.042981 
1 1 1   -2    1   35 o   10.995   2.5454  132.199   64.896  181.517   92.554   84.503   91.018   12.544   3.6078   9.4469   3.5915 3.096930 5.090709 
1 1 1   -2    2    1 o  151.281   1.4436 22382.51  408.841 22850.24  517.031 21602.02  667.887  153.414   1.7361  149.149   2.3068 4.265518 2.887168 
1 1 1   -2    2    2 o  137.227   1.1605 18282.01  309.115 18277.66  434.570 18286.47  439.784  137.210   1.6316  137.243   1.6508 -0.3265381E-01 2.321001 
1 1 1   -2    2    3 o  336.332   1.7646 109841.80  1151.88 108735.00  1611.96 110996.60  1646.60  334.602   2.4818  338.062   2.5092 -3.459503 3.529160 
1 1 1   -2    2    4 o  128.520   1.3514 16107.53  303.000 15872.13  569.731 16200.36  357.795  127.855   2.2956  129.185   1.4268 -1.330193 2.702821 
1 1 1   -2    2    5 o  214.325   1.3668 44589.41  568.639 45155.46  807.544 44032.70  800.851  215.674   1.9289  212.976   1.9371 2.698349 2.733668 
1 1 1   -2    2    6 o  376.092   1.4091 137463.00  1020.02 138440.80  1359.67 136204.41  1542.65  377.630   1.8548  374.555   2.1217 3.075378 2.818165 
1 1 1   -2    2    7 o  190.299   1.0879 35073.70  393.242 34764.22  505.287 35549.07  626.234  189.240   1.3755  191.357   1.6859 -2.116562 2.175819 
1 1 1   -2    2    8 o  183.145   0.9574 32564.47  340.352 32654.75  482.557 32475.11  480.112  183.397   1.3555  182.892   1.3523 0.5050354 1.914705 
1 1 1   -2    2    9 o   89.733   0.6540  7815.88  113.910  7879.08  161.760  7753.71  160.435   90.093   0.9249   89.373   0.9248 0.7196198 1.307933 
1 1 1   -2    2   10 o  153.375   0.8945 22837.14  266.324 22873.44  376.808 22800.91  376.470  153.497   1.2646  153.253   1.2655 0.2435760 1.789046 
1 1 1   -2    2   11 o  169.183   0.9422 27784.74  309.417 27608.68  436.457 27962.63  438.716  168.644   1.3332  169.721   1.3316 -1.077637 1.884338 
1 1 1   -2    2   12 o  295.869   1.1675 84977.67  670.510 85408.55  950.753 84551.33  945.756  296.615   1.6512  295.123   1.6509 1.492310 2.334935 
1 1 1   -2    2   13 o  115.704   0.7880 12992.10  176.969 12786.65  248.186 13204.60  252.411  114.774   1.1140  116.635   1.1148 -1.860695 1.576006 
1 1 1   -2    2   14 o  220.579   1.0813 47232.30  462.978 47553.87  655.552 46912.30  653.950  221.328   1.5258  219.829   1.5325 1.498245 2.162553 
1 1 1   -2    2   15 o  238.501   1.1225 55221.30  519.680 55229.12  735.115 55213.48  734.763  238.517   1.5877  238.484   1.5872 0.3375244E-01 2.244975 
1 1 1   -2    2   16 o  116.808   0.8361 13243.05  189.580 13406.00  269.856 13084.26  266.392  117.518   1.1829  116.099   1.1820 1.418724 1.672283 
1 1 1   -2    2   17 o  349.093   1.3036 118329.60  883.360 119014.50  1255.05 117657.20  1243.55  350.094   1.8468  348.092   1.8404 2.001526 2.607198 
1 1 1   -2    2   18 o  117.168   0.8617 13328.24  195.991 13201.82  276.760 13455.42  277.588  116.610   1.2226  117.725   1.2147 -1.114891 1.723464 
1 1 1   -2    2   19 o  156.179   0.9810 23685.01  297.404 23767.91  421.790 23603.04  419.407  156.451   1.3888  155.907   1.3858 0.5433960 1.961977 
1 1 1   -2    2   20 o  166.395   1.0385 26888.97  335.433 27069.04  475.910 26711.21  472.852  166.949   1.4685  165.842   1.4688 1.107132 2.077002 
1 1 1   -2    2   21 o   50.625   0.6545  2487.72   64.311  2434.07   90.157  2543.29   91.762   50.069   0.9276   51.180   0.9236 -1.111065 1.309020 
1 1 1   -2    2   22 o   62.311   0.6802  3769.95   82.260  3692.05  115.858  3849.15  116.814   61.662   0.9679   62.960   0.9558 -1.298592 1.360305 
1 1 1   -2    2   23 o   84.371   0.7722  6913.94  126.462  6939.68  179.021  6888.29  178.667   84.527   1.0910   84.214   1.0929 0.3136292 1.544307 
1 1 1   -2    2   24 o   77.834   0.7631  5881.37  115.261  5755.38  160.743  6014.71  165.361   76.976   1.0757   78.691   1.0825 -1.714699 1.526149 
1 1 1   -2    2   25 o  110.346   0.9693 11834.90  207.607 11853.65  295.259 11816.57  291.971  110.432   1.3773  110.261   1.3641 0.1713257 1.938532 
1 1 1   -2    2   26 o   54.582   0.7622  2890.10   80.674  3072.27  116.530  2722.42  111.798   56.232   1.0676   52.932   1.0881 3.299480 1.524310 
1 1 1   -2    2   27 o   23.395   1.2896  533.253   58.563  527.538   83.041  538.907   82.601   23.270   1.8384   23.521   1.8091 -0.2508125 2.579281 
1 1 1   -2    2   28 o   31.455   1.0475  963.148   63.962  968.252   90.669  958.092   90.245   31.538   1.4810   31.372   1.4819 0.1659489 2.095067 
1 1 1   -2    2   29 o   84.540   0.8665  6957.11  142.190  7020.56  202.751  6895.71  199.463   84.918   1.2300   84.162   1.2209 0.7565842 1.733047 
1 1 1   -2    2   30 o   19.787   1.5798  385.756   60.450  344.805   84.888  427.887   86.103   18.707   2.3376   20.866   2.1257 -2.159195 3.159625 
1 1 1   -2    2   31 o   19.481   1.5969  376.155   60.197  343.200   85.306  408.844   84.959   18.613   2.3610   20.350   2.1507 -1.737322 3.193755 
1 1 1   -2    2   32 o   28.397   1.1701  794.731   64.485  774.652   91.142  814.857   91.249   28.033   1.6749   28.762   1.6344 -0.7288456 2.340173 
1 1 1   -2    2   33 o   19.100   1.6658  368.114   61.663  383.849   86.180  351.610   88.265   19.544   2.2716   18.657   2.4371 0.8868198 3.331642 
1 1 1   -2    2   34 o   19.240   1.9052  395.023   66.115  268.505   93.226  523.043   93.778   15.720   3.1646   22.761   2.1225 -7.040773 3.810467 
1 1 1   -2    2   35 o   11.323   2.5720  145.501   64.112  144.637   91.466  146.337   89.892   11.295   3.6558   11.352   3.6189 -0.5751419E-01 5.144025 
1 1 1   -2    3    1 o  255.850   1.6720 63567.71  830.401 63486.21  1172.11 63649.84  1176.63  255.686   2.3616  256.015   2.3676 -0.3289337 3.344020 
1 1 1   -2    3    2 f  204.262   1.6238 40516.51  643.869 40582.20  910.922 40450.93  910.215  204.427   2.2955  204.096   2.2974 0.3309784 3.247696 
1 1 1   -2    3    3 o   97.540   1.2695  9192.50  202.396  9320.53  423.193  9154.53  230.462   97.970   2.2253   97.111   1.2226 0.8592148 2.538975 
1 1 1   -2    3    4 o   62.425   0.6698  3784.28   81.105  3726.42  116.365  3838.95  113.103   61.961   0.9675   62.889   0.9265 -0.9287224 1.339544 
1 1 1   -2    3    5 o  443.771   1.5699 191183.59  1352.32 191673.30  1917.82 190699.41  1907.17  444.336   2.2235  443.206   2.2168 1.129883 3.139725 
1 1 1   -2    3    6 o  368.756   1.4024 132164.91  995.209 133170.50  1325.85 130867.10  1506.22  370.371   1.8441  367.141   2.1134 3.230011 2.804894 
1 1 1   -2    3    7 o  289.559   1.3514 81347.93  751.212 81023.05  990.544 81787.75  1152.50  288.886   1.7664  290.233   2.0456 -1.346405 2.702727 
1 1 1   -2    3    8 o   42.318   0.5506  1738.27   45.229  1741.01   64.287  1735.59   63.644   42.351   0.7820   42.285   0.7754 0.6589508E-01 1.101220 
1 1 1   -2    3    9 o  132.021   0.8238 16919.69  211.119 16772.99  297.436 17068.64  299.711  131.444   1.1657  132.598   1.1644 -1.153412 1.647631 
1 1 1   -2    3   10 o  264.447   1.1072 67874.91  568.273 69183.76  813.287 66626.24  794.364  266.937   1.5695  261.957   1.5622 4.979980 2.214441 
1 1 1   -2    3   11 o  247.526   1.0935 59478.46  525.434 59773.47  745.357 59187.04  740.815  248.137   1.5474  246.916   1.5456 1.220169 2.187091 
1 1 1   -2    3   12 o  117.981   0.8019 13507.74  183.619 13808.95  262.011 13217.04  257.403  119.274   1.1316  116.689   1.1364 2.584328 1.603725 
1 1 1   -2    3   13 o  398.654   1.4070 154289.70  1088.84 153885.91  1535.69 154697.91  1544.04  398.130   1.9871  399.178   1.9926 -1.048737 2.814073 
1 1 1   -2    3   14 o   58.669   0.6448  3322.91   70.240  3402.64  118.701  3279.94   87.132   59.207   1.0328   58.131   0.7722 1.076225 1.289543 
1 1 1   -2    3   15 o  203.501   1.0627 40202.33  419.816 40063.59  592.967 40341.77  594.456  203.149   1.5037  203.853   1.5022 -0.7041168 2.125488 
1 1 1   -2    3   16 o  222.510   1.1070 48064.71  478.156 47806.16  674.674 48325.65  677.768  221.909   1.5662  223.111   1.5649 -1.202499 2.214058 
1 1 1   -2    3   17 o  180.938   1.0417 31784.78  365.873 31715.26  517.174 31854.44  517.672  180.740   1.4741  181.136   1.4723 -0.3962097 2.083372 
1 1 1   -2    3   18 o  120.433   0.8711 14079.58  203.631 13931.04  285.600 14233.17  290.417  119.787   1.2282  121.079   1.2356 -1.291794 1.742223 
1 1 1   -2    3   19 o  102.855   0.7965 10270.91  159.035 10307.60  225.402 10234.53  224.420  103.037   1.1269  102.672   1.1260 0.3658295 1.593074 
1 1 1   -2    3   20 o  138.446   0.9396 18613.13  252.525 18695.45  357.458 18531.12  356.792  138.752   1.3272  138.140   1.3305 0.6113434 1.879281 
1 1 1   -2    3   21 o  159.452   1.0791 24693.79  333.962 25203.14  477.118 24204.52  467.612  161.064   1.5260  157.841   1.5262 3.223175 2.158224 
1 1 1   -2    3   22 o   88.544   0.7627  7611.37  131.071  7427.58  183.621  7802.31  187.154   87.454   1.0816   89.634   1.0756 -2.179207 1.525412 
1 1 1   -2    3   23 o   82.351   0.7442  6586.30  118.960  6673.99  168.762  6499.69  167.713   82.896   1.0488   81.806   1.0561 1.090004 1.488394 
1 1 1   -2    3   24 o   44.349   0.7429  1910.22   63.950  1877.73   90.069  1943.26   90.815   43.968   1.0553   44.729   1.0459 -0.7609444 1.485786 
1 1 1   -2    3   25 o   41.984   0.8022  1712.58   65.371  1709.27   93.294  1715.78   91.624   41.944   1.1458   42.025   1.1232 -0.8062363E-01 1.604498 
1 1 1   -2    3   26 o   88.865   0.8676  7675.47  149.671  7671.17  211.924  7679.76  211.410   88.840   1.2289   88.890   1.2252 -0.5010986E-01 1.735290 
1 1 1   -2    3   27 o   23.450   1.2951  536.797   58.696  475.797   82.540  599.204   83.485   22.095   1.9244   24.805   1.7338 -2.709993 2.590270 
1 1 1   -2    3   28 f   81.122   0.8361  6398.58  131.657  6308.58  185.124  6490.68  187.277   80.545   1.1840   81.699   1.1809 -1.154655 1.672232 
1 1 1   -2    3   29 o   57.274   1.0856  3198.99  120.690  3254.00  171.412  3144.90  169.960   57.764   1.5287   56.785   1.5419 0.9789543 2.171242 
1 1 1   -2    3   30 o   30.819   1.0826  928.854   64.674  984.407   91.345  873.011   91.582   31.750   1.4821   29.887   1.5786 1.862568 2.165291 
1 1 1   -2    3   31 o   44.281   0.8395  1913.29   72.147  1906.24  103.007  1920.09  101.084   44.198   1.2006   44.364   1.1738 -0.1655197 1.679056 
1 1 1   -2    3   32 f   23.138   1.4178  533.575   63.276  599.827   89.331  466.863   89.640   24.619   1.8692   21.657   2.1322 2.962090 2.835550 
1 1 1   -2    3   33 o   20.142   1.5940  407.987   62.006  460.306   88.646  357.868   86.763   21.444   2.1295   18.839   2.3725 2.604952 3.188018 
1 1 1   -2    3   34 o   17.365   2.0974  332.155   66.103  212.325   94.851  445.317   92.174   13.787   3.5291   20.943   2.2673 -7.155696 4.194704 
1 1 1   -2    3   35 o   9.2532   2.5340   77.187   64.897   70.383   95.241   83.084   88.668   9.1496   3.6189   9.3568   3.5478 -0.2072296 5.067914 
1 1 1   -2    4    1 o  208.184   1.7050 42079.66  687.784 42252.41  1004.22 41927.04  943.921  208.583   2.4802  207.785   2.3402 0.7978973 3.409980 
1 1 1   -2    4    2 o   32.449   0.4190  1021.30   26.383  1049.51   37.949  994.909   36.705   32.883   0.5945   32.016   0.5906 0.8667412 0.8380187 
1 1 1   -2    4    3 o   68.085   1.2969  4501.49  171.375  4580.75  241.545  4421.15  243.186   68.689   1.8115   67.481   1.8565 1.207695 2.593884 
1 1 1   -2    4    4 o  180.063   1.3397 31475.79  468.249 31553.36  661.270 31397.78  663.142  180.286   1.8895  179.840   1.8996 0.4452209 2.679300 
1 1 1   -2    4    5 o   81.498   0.8008  6445.33  126.675  6330.83  177.434  6564.36  180.907   80.760   1.1318   82.237   1.1332 -1.476044 1.601635 
1 1 1   -2    4    6 o  450.505   1.5865 197049.80  1387.36 196566.59  1951.51 197543.50  1972.73  449.948   2.2343  451.063   2.2530 -1.115509 3.173045 
1 1 1   -2    4    7 o  255.297   1.2884 63398.95  624.444 63858.94  804.706 62702.73  990.009  256.472   1.6163  254.122   2.0069 2.349411 2.576878 
1 1 1   -2    4    8 o  109.870   0.8596 11713.61  177.662 11696.60  224.917 11741.83  289.711  109.767   1.0556  109.972   1.3571 -0.2053528 1.719295 
1 1 1   -2    4    9 o   51.405   0.5386  2548.63   51.376  2510.44   63.650  2620.03   87.027   50.856   0.6448   51.953   0.8629 -1.096870 1.077201 
1 1 1   -2    4   10 o  149.580   0.8881 21720.72  257.869 21689.96  364.543 21751.54  364.820  149.474   1.2564  149.686   1.2555 -0.2120667 1.776195 
1 1 1   -2    4   11 o  143.860   0.8802 20089.60  245.812 19939.71  347.246 20240.15  348.015  143.322   1.2481  144.398   1.2416 -1.075821 1.760493 
1 1 1   -2    4   12 o  252.304   1.1066 61792.35  541.946 61398.42  763.386 62192.62  769.506  251.493   1.5637  253.115   1.5661 -1.621262 2.213127 
1 1 1   -2    4   13 o  210.127   1.0486 42854.97  427.685 42363.17  600.236 43362.14  609.548  208.903   1.4802  211.352   1.4857 -2.448624 2.097207 
1 1 1   -2    4   14 o   57.504   0.5504  3208.55   61.422  3120.78   86.063  3299.66   87.687   56.703   0.7819   58.305   0.7748 -1.602470 1.100728 
1 1 1   -2    4   15 o   88.618   0.6996  7622.45  120.334  7651.72  171.327  7593.96  169.052   88.786   0.9941   88.450   0.9846 0.3357086 1.399144 
1 1 1   -2    4   16 o  195.967   1.0562 37278.62  401.754 37659.74  570.969 36904.88  565.404  196.959   1.4934  194.975   1.4939 1.983932 2.112315 
1 1 1   -2    4   17 o  227.533   1.1367 50265.53  502.072 50039.13  708.519 50493.89  711.564  227.019   1.6078  228.048   1.6074 -1.029266 2.273466 
1 1 1   -2    4   18 o  184.845   1.1050 33183.19  395.212 33124.72  582.568 33233.03  537.927  184.691   1.6249  185.000   1.4979 -0.3089447 2.210016 
1 1 1   -2    4   19 o   82.610   0.7108  6625.26  113.986  6598.01  160.882  6652.72  161.520   82.440   1.0053   82.781   1.0052 -0.3411026 1.421620 
1 1 1   -2    4   20 o  117.305   0.8633 13361.22  196.569 13294.06  276.716 13429.62  279.282  117.008   1.2183  117.603   1.2234 -0.5948257 1.726532 
1 1 1   -2    4   21 o  175.075   1.1378 29781.87  386.670 29888.65  547.966 29675.96  545.708  175.388   1.6095  174.763   1.6086 0.6250610 2.275533 
1 1 1   -2    4   22 o  116.392   0.8784 13157.81  198.445 12968.90  279.644 13349.45  281.655  115.550   1.2467  117.233   1.2377 -1.683678 1.756739 
1 1 1   -2    4   23 o   70.145   0.7135  4778.53   97.142  4679.74  137.047  4878.29  137.714   69.416   1.0171   70.874   1.0010 -1.457932 1.427015 
1 1 1   -2    4   24 o  114.619   0.9050 12763.65  201.337 12978.30  286.145 12553.19  283.343  115.574   1.2754  113.664   1.2842 1.909416 1.809929 
1 1 1   -2    4   25 o  157.916   1.1985 24256.85  367.398 24058.99  518.200 24456.83  520.969  157.268   1.6974  158.564   1.6926 -1.295975 2.397081 
1 1 1   -2    4   26 o   59.437   0.7518  3431.50   86.719  3478.90  124.182  3386.38  121.151   59.838   1.0691   59.037   1.0572 0.8003807 1.503513 
1 1 1   -2    4   27 o   25.780   1.1694  648.153   58.397  602.451   82.897  693.176   82.278   24.873   1.7169   26.687   1.5883 -1.813513 2.338867 
1 1 1   -2    4   28 o   65.359   0.7861  4153.27   99.727  4143.69  141.788  4162.66  140.294   65.284   1.1188   65.435   1.1045 -0.1506882 1.572174 
1 1 1   -2    4   29 o   15.050   2.1182  231.271   59.697  215.872   83.340  247.497   85.553   14.513   3.0549   15.588   2.9351 -1.075004 4.236455 
1 1 1   -2    4   30 o   23.278   1.3101  530.933   59.192  521.704   83.197  540.394   84.233   23.072   1.8576   23.483   1.8478 -0.4108276 2.620128 
1 1 1   -2    4   31 o   19.548   1.7225  397.169   60.219  260.483   85.963  528.877   84.383   15.907   2.8904   23.189   1.8746 -7.282243 3.445063 
1 1 1   -2    4   32 o   8.3044   2.3391   32.390   59.193   80.277   84.085 -14.6556   83.343   9.5187   3.4846   7.0902   3.1212 2.428541 4.678113 
1 1 1   -2    4   33 o   36.715   0.9677  1325.40   68.970  1320.77   97.450  1330.05   97.628   36.650   1.3697   36.780   1.3674 -0.1294250 1.935465 
1 1 1   -2    4   34 o   24.424   1.4279  600.669   67.628  589.030   97.254  611.566   94.104   24.171   2.0727   24.676   1.9646 -0.5048523 2.855820 
1 1 1   -2    4   35 o   13.163   2.4599  195.435   67.738  290.406   98.605  110.564   93.214   16.106   3.2656   10.219   3.6797 5.886806 4.919812 
1 1 1   -2    5    1 o   36.977   0.3893  1322.44   26.260  1340.90   45.940  1313.48   32.004   37.168   0.6367   36.787   0.4482 0.3816109 0.7786452 
1 1 1   -2    5    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2    5    3 o   87.371   0.8312  7409.44  140.970  7518.62  200.158  7301.98  198.575   88.009   1.1716   86.732   1.1795 1.277229 1.662455 
1 1 1   -2    5    4 o  245.596   1.3803 58554.45  658.056 58803.63  931.473 58306.19  929.793  246.118   1.9497  245.074   1.9544 1.043335 2.760629 
1 1 1   -2    5    5 o  518.318   1.6615 260804.59  1671.47 259493.59  2339.77 262170.81  2388.61  516.989   2.3315  519.647   2.3679 -2.657532 3.323077 
1 1 1   -2    5    6 o  217.505   1.3830 45929.59  583.913 45925.61  824.206 45933.61  827.359  217.496   1.9522  217.514   1.9595 -0.1873779E-01 2.765967 
1 1 1   -2    5    7 o  276.973   1.3072 74255.50  685.840 73451.84  876.336 75525.78  1101.76  275.055   1.6413  278.890   2.0351 -3.834167 2.614481 
1 1 1   -2    5    8 o   71.360   0.7217  4944.77   99.923  4990.52  139.396  4896.41  143.309   71.700   1.0015   71.020   1.0395 0.6797943 1.443487 
1 1 1   -2    5    9 o  297.980   1.4195 86258.87  818.558 86581.73  1115.93 85882.81  1204.35  298.591   1.9253  297.369   2.0864 1.221802 2.838959 
1 1 1   -2    5   10 o   92.457   0.7911  8312.62  136.811  8352.50  172.083  8244.12  225.547   92.761   0.9557   92.153   1.2608 0.6078339 1.582101 
1 1 1   -2    5   11 o  156.756   0.9153 23851.44  278.513 24049.92  395.966 23657.09  391.820  157.402   1.2959  156.111   1.2930 1.290726 1.830635 
1 1 1   -2    5   12 o  229.749   1.0780 51239.54  480.770 51292.72  680.498 51186.55  679.325  229.868   1.5251  229.630   1.5240 0.2379761 2.156003 
1 1 1   -2    5   13 o  243.929   1.1620 57720.33  547.721 57329.06  739.032 58197.16  815.839  243.015   1.5666  244.844   1.7165 -1.828857 2.323957 
1 1 1   -2    5   14 o  208.329   1.0581 42130.51  427.904 41911.03  602.794 42353.45  607.529  207.782   1.4945  208.876   1.4984 -1.093735 2.116266 
1 1 1   -2    5   15 o  347.172   1.2754 117004.30  859.456 118019.40  1225.10 116020.60  1206.04  348.654   1.8101  345.690   1.7972 2.964325 2.550820 
1 1 1   -2    5   16 f  239.025   1.1413 55460.16  529.517 56153.32  753.671 54784.44  744.119  240.500   1.6144  237.551   1.6137 2.949478 2.282582 
1 1 1   -2    5   17 o  213.052   1.1138 44070.70  460.617 44189.82  652.770 43952.57  650.060  213.339   1.5763  212.765   1.5739 0.5733643 2.227520 
1 1 1   -2    5   18 o  112.647   0.8398 12319.42  183.628 12416.23  260.453 12223.74  258.933  113.088   1.1864  112.207   1.1888 0.8801270 1.679539 
1 1 1   -2    5   19 o   64.206   0.6458  4002.10   80.480  4021.76  113.474  3982.20  114.162   64.365   0.9082   64.047   0.9182 0.3174515 1.291507 
1 1 1   -2    5   20 o   85.905   0.7643  7166.26  127.411  7117.19  182.030  7213.39  178.398   85.616   1.0953   86.194   1.0662 -0.5775452 1.528544 
1 1 1   -2    5   21 o   75.988   0.7210  5606.14  106.339  5696.47  151.273  5517.90  149.515   76.593   1.0174   75.383   1.0218 1.210197 1.441929 
1 1 1   -2    5   22 o  103.166   0.8796 10338.14  176.159 10352.67  249.016 10323.58  249.237  103.239   1.2426  103.094   1.2454 0.1453629 1.759267 
1 1 1   -2    5   23 o   60.188   0.6872  3515.83   80.268  3411.39  111.907  3626.49  115.196   59.268   0.9727   61.109   0.9711 -1.840038 1.374466 
1 1 1   -2    5   24 o   42.289   0.7754  1737.17   63.648  1736.27   90.283  1738.07   89.744   42.278   1.1001   42.300   1.0929 -0.2210617E-01 1.550704 
1 1 1   -2    5   25 o   26.885   1.0992  706.480   56.988  617.444   80.994  793.775   80.199   25.195   1.6560   28.575   1.4459 -3.379238 2.198398 
1 1 1   -2    5   26 o   97.244   0.9006  9191.41  170.001  9268.29  241.633  9116.05  239.221   97.647   1.2748   96.842   1.2725 0.8050766 1.801229 
1 1 1   -2    5   27 o   52.502   0.9174  2696.32   89.251  2735.05  111.213  2626.24  149.593   53.050   1.0800   51.954   1.4833 1.095760 1.834793 
1 1 1   -2    5   28 o   68.104   0.7909  4509.28  104.547  4424.01  147.273  4595.90  148.437   67.455   1.1247   68.754   1.1122 -1.299255 1.581764 
1 1 1   -2    5   29 o   21.287   1.4741  445.787   60.564  394.730   86.175  495.621   85.136   20.065   2.2125   22.508   1.9485 -2.443964 2.948215 
1 1 1   -2    5   30 o   16.926   1.7940  283.604   58.794  260.175   83.053  307.138   83.241   16.212   2.6391   17.641   2.4308 -1.428600 3.587982 
1 1 1   -2    5   31 o   41.870   0.8678  1710.69   70.519  1745.37  101.065  1677.78   98.445   42.282   1.2313   41.457   1.2233 0.8251991 1.735691 
1 1 1   -2    5   32 o   14.788   2.1370  234.128   60.417  141.652   85.842  324.902   85.049   11.584   3.5124   17.992   2.4352 -6.408124 4.273962 
1 1 1   -2    5   33 o   14.279   2.2550  217.839   63.211  292.018   90.090  145.909   88.714   16.903   2.7457   11.655   3.5779 5.247142 4.510078 
1 1 1   -2    5   34 o   44.815   0.9060  1978.35   78.817  1972.88  111.685  1983.79  111.244   44.751   1.2857   44.879   1.2769 -0.1279945 1.812056 
1 1 1   -2    5   35 o   21.864   1.6837  503.815   69.212  370.142   98.269  635.396   97.497   18.734   2.7022   24.995   2.0095 -6.260561 3.367476 
1 1 1   -2    6    1 o   76.743   0.8051  5712.50  118.834  5683.63  157.560  5750.58  180.977   76.519   1.0607   76.967   1.2113 -0.4479980 1.610103 
1 1 1   -2    6    2 o  232.451   2.3568 52497.84  1063.42 52870.20  1500.07 52121.67  1507.75  233.281   3.3126  231.621   3.3534 1.659988 4.713657 
1 1 1   -2    6    3 o  182.542   1.3361 32348.81  473.436 32366.95  668.181 32330.52  670.906  182.594   1.8851  182.491   1.8939 0.1029816 2.672184 
1 1 1   -2    6    4 o  178.727   1.3418 31006.43  465.499 30663.02  654.725 31357.48  661.964  177.727   1.8978  179.728   1.8974 -2.001328 2.683568 
1 1 1   -2    6    5 o  185.725   1.2665 33525.18  451.019 33743.04  594.266 33229.19  692.653  186.440   1.6420  185.009   1.9287 1.430725 2.532971 
1 1 1   -2    6    6 o  284.689   1.4307 78687.45  790.630 78517.84  1114.60 78859.20  1121.67  284.380   2.0191  284.997   2.0275 -0.6171265 2.861371 
1 1 1   -2    6    7 o  134.588   1.1120 17606.19  288.828 17400.33  431.017 17773.97  389.118  133.871   1.6586  135.305   1.4815 -1.434341 2.223913 
1 1 1   -2    6    8 o  283.158   1.2284 77803.56  663.822 77546.29  862.457 78177.51  1039.79  282.598   1.5722  283.719   1.8880 -1.120667 2.456852 
1 1 1   -2    6    9 o   61.354   0.5976  3652.24   68.123  3647.93   84.808  3660.06  114.371   61.304   0.7127   61.404   0.9595 -0.9999847E-01 1.195224 
1 1 1   -2    6   10 o  224.150   1.1712 48746.15  499.468 48602.79  644.797 48961.22  789.753  223.746   1.4846  224.555   1.8118 -0.8088684 2.342327 
1 1 1   -2    6   11 o  181.818   1.0905 32118.27  376.662 32222.14  485.556 31961.32  596.870  182.191   1.3729  181.445   1.6946 0.7460632 2.180970 
1 1 1   -2    6   12 o  393.358   1.3909 150210.59  1062.06 150916.30  1508.98 149517.91  1495.08  394.273   1.9716  392.443   1.9626 1.830475 2.781885 
1 1 1   -2    6   13 o  244.801   1.1137 58168.63  529.193 57581.68  743.482 58771.34  753.400  243.549   1.5726  246.052   1.5774 -2.502914 2.227368 
1 1 1   -2    6   14 o  197.824   1.0534 37988.31  404.497 38344.10  574.157 37637.72  569.956  198.744   1.4882  196.905   1.4911 1.839203 2.106744 
1 1 1   -2    6   15 o  416.494   1.3817 168398.00  1115.99 167822.70  1542.89 169029.30  1616.17  415.752   1.9118  417.237   1.9954 -1.485474 2.763449 
1 1 1   -2    6   16 o  152.929   1.1220 22812.38  324.490 23194.45  416.310 22220.94  517.964  154.573   1.3875  151.285   1.7638 3.287659 2.244074 
1 1 1   -2    6   17 o   71.830   0.7904  4996.68  105.879  4965.69  132.270  5051.94  176.652   71.523   0.9527   72.138   1.2615 -0.6150208 1.580826 
1 1 1   -2    6   18 o  145.040   0.9458 20423.02  266.239 20579.80  380.263 20272.26  372.884  145.586   1.3455  144.495   1.3294 1.091248 1.891510 
1 1 1   -2    6   19 o  119.250   0.8625 13805.10  199.631 13614.45  280.377 14001.13  284.304  118.415   1.2198  120.085   1.2196 -1.669846 1.724908 
1 1 1   -2    6   20 o  138.046   0.9422 18506.71  252.475 18463.25  356.669 18550.35  357.438  137.884   1.3326  138.209   1.3323 -0.3248596 1.884339 
1 1 1   -2    6   21 o   64.606   0.6767  4052.77   84.865  4065.65  119.919  4039.86  120.114   64.709   0.9547   64.503   0.9593 0.2056656 1.353387 
1 1 1   -2    6   22 o  117.128   0.9003 13326.04  204.696 13317.75  290.109 13334.25  288.862  117.091   1.2764  117.164   1.2701 -0.7300568E-01 1.800605 
1 1 1   -2    6   23 o   74.271   0.7351  5357.34  105.964  5364.86  151.419  5350.13  148.341   74.322   1.0495   74.221   1.0296 0.1011276 1.470244 
1 1 1   -2    6   24 o  201.368   1.2841 39443.09  501.953 39497.54  709.393 39388.49  710.344  201.508   1.8136  201.228   1.8185 0.2795715 2.568255 
1 1 1   -2    6   25 o   58.757   0.7252  3353.18   82.700  3379.21  118.105  3328.14  115.839   58.981   1.0316   58.534   1.0195 0.4468842 1.450338 
1 1 1   -2    6   26 o   29.469   1.0407  846.166   59.386  816.978   86.132  872.614   81.989   28.981   1.5310   29.957   1.4099 -0.9754543 2.081319 
1 1 1   -2    6   27 o   55.842   0.7616  3029.80   82.548  3077.39  117.923  2984.07  115.592   56.272   1.0795   55.412   1.0746 0.8594971 1.523230 
1 1 1   -2    6   28 o   48.662   0.7925  2301.14   74.838  2350.51  107.526  2254.75  104.224   49.167   1.1266   48.156   1.1149 1.010994 1.585036 
1 1 1   -2    6   29 o   45.239   0.8229  1991.84   72.242  1931.65  101.644  2053.28  102.695   44.547   1.1754   45.930   1.1518 -1.383801 1.645704 
1 1 1   -2    6   30 o   64.404   0.9694  4035.60  113.647  4012.74  138.307  4083.10  199.408   64.184   1.1101   64.623   1.5896 -0.4393387 1.938835 
1 1 1   -2    6   31 o   30.332   1.0987  901.697   64.644  894.353   92.994  908.563   89.923   30.206   1.5860   30.457   1.5210 -0.2510204 2.197406 
1 1 1   -2    6   32 o   23.714   1.3226  557.190   60.820  589.004   86.365  525.890   85.664   24.398   1.8236   23.031   1.9161 1.367069 2.645160 
1 1 1   -2    6   33 o   45.079   0.8783  1987.38   76.719  2113.96  112.613  1877.76  104.801   46.411   1.2500   43.747   1.2341 2.663422 1.756546 
1 1 1   -2    6   34 o   38.752   0.9761  1482.80   73.414  1440.64  103.179  1526.03  104.480   38.189   1.3918   39.316   1.3690 -1.126617 1.952261 
1 1 1   -2    6   35 o   22.090   1.6148  503.262   69.201  482.248   97.609  524.497   98.123   21.601   2.3278   22.579   2.2387 -0.9780350 3.229641 
1 1 1   -2    7    1 o   69.808   1.2194  4809.69  101.391  4831.06  107.307  4631.77  309.631   70.549   0.7836   69.066   2.3095 1.483459 2.438791 
1 1 1   -2    7    2 f  172.142   2.0722 28777.14  692.440 28668.33  976.398 28887.23  982.144  171.815   2.9275  172.469   2.9336 -0.6545105 4.144435 
1 1 1   -2    7    3 o  171.168   1.4942 28527.85  487.094 27998.04  763.375 28891.69  632.613  169.820   2.3157  172.516   1.8891 -2.696686 2.988487 
1 1 1   -2    7    4 o  179.245   1.4947 31005.52  509.562 30296.14  654.325 32098.75  812.281  176.659   1.9081  181.831   2.3013 -5.172028 2.989427 
1 1 1   -2    7    5 o  225.613   1.3798 49415.80  604.273 49326.95  851.136 49506.11  858.047  225.408   1.9452  225.817   1.9574 -0.4086151 2.759599 
1 1 1   -2    7    6 f  144.955   1.0974 20393.48  308.750 20128.98  432.362 20668.71  441.044  143.996   1.5468  145.913   1.5571 -1.917542 2.194807 
1 1 1   -2    7    7 o  173.173   1.1778 29118.28  395.932 29095.60  559.030 29141.11  560.839  173.105   1.6636  173.241   1.6677 -0.1351776 2.355630 
1 1 1   -2    7    8 o  152.255   1.0031 22553.64  289.504 22723.53  372.053 22292.92  460.914  152.989   1.2528  151.521   1.5670 1.468094 2.006267 
1 1 1   -2    7    9 o  171.796   1.0571 28557.44  343.943 28218.91  439.220 29094.13  553.028  170.490   1.3271  173.101   1.6458 -2.611938 2.114244 
1 1 1   -2    7   10 o  355.928   1.4427 123284.20  989.938 125445.40  1331.00 120608.60  1480.93  359.437   1.9076  352.419   2.1648 7.017822 2.885345 
1 1 1   -2    7   11 o  181.410   1.0996 31911.19  378.091 31779.94  484.390 32115.84  604.856  180.937   1.3791  181.883   1.7131 -0.9464874 2.199281 
1 1 1   -2    7   12 o  258.573   1.2504 65012.57  617.174 65500.58  804.524 64314.69  962.091  259.759   1.5955  257.387   1.9256 2.371613 2.500720 
1 1 1   -2    7   13 o  182.723   0.9980 32407.82  353.988 32810.89  502.956 32012.17  498.305  183.848   1.4093  181.597   1.4136 2.251572 1.996086 
1 1 1   -2    7   14 o   48.755   0.5333  2305.86   50.430  2338.44   73.083  2276.25   69.676   49.083   0.7670   48.426   0.7412 0.6569633 1.066640 
1 1 1   -2    7   15 o  203.374   1.0614 40150.79  419.021 40509.50  595.287 39798.51  589.919  204.275   1.5012  202.474   1.5009 1.800583 2.122842 
1 1 1   -2    7   16 o  277.834   1.2026 74943.59  648.570 75281.44  918.845 74608.13  915.598  278.458   1.6999  277.210   1.7015 1.248108 2.405135 
1 1 1   -2    7   17 o  170.589   1.0248 28251.19  339.359 28529.54  482.294 27978.24  477.592  171.421   1.4494  169.757   1.4493 1.664352 2.049692 
1 1 1   -2    7   18 o  206.483   1.1059 41403.38  443.267 41337.05  626.606 41469.80  627.142  206.317   1.5646  206.648   1.5634 -0.3310852 2.211802 
1 1 1   -2    7   19 o   96.060   0.7902  8957.42  147.272  8995.87  212.025  8921.58  204.716   96.258   1.1347   95.861   1.1001 0.3973770 1.580459 
1 1 1   -2    7   20 o  141.404   0.9911 19422.74  271.754 19352.50  393.069 19487.06  376.126  141.157   1.4345  141.651   1.3679 -0.4942627 1.982140 
1 1 1   -2    7   21 o  145.045   1.0016 20437.93  281.622 20417.19  408.907 20456.64  388.430  144.972   1.4530  145.119   1.3789 -0.1464996 2.003144 
1 1 1   -2    7   22 o   74.887   0.8406  5511.01  118.361  5723.58  151.398  5176.87  189.820   76.773   1.0159   73.000   1.3395 3.772217 1.681182 
1 1 1   -2    7   23 o   60.701   0.6949  3580.00   81.827  3525.50  117.315  3631.62  114.190   60.250   1.0031   61.152   0.9619 -0.9015770 1.389780 
1 1 1   -2    7   24 o   58.844   0.7163  3363.11   81.786  3364.41  117.457  3361.89  113.947   58.855   1.0281   58.834   0.9977 0.2080536E-01 1.432629 
1 1 1   -2    7   25 o   79.639   0.7882  6161.09  121.845  6057.74  171.239  6267.08  173.411   78.963   1.1172   80.316   1.1123 -1.353157 1.576450 
1 1 1   -2    7   26 o   62.533   0.7464  3799.35   90.602  3774.33  128.301  3824.24  127.961   62.327   1.0604   62.738   1.0507 -0.4113274 1.492823 
1 1 1   -2    7   27 o   47.208   0.7867  2163.82   72.039  2224.89  104.247  2108.00   99.666   47.844   1.1224   46.572   1.1025 1.272560 1.573306 
1 1 1   -2    7   28 o   66.126   0.7862  4252.54  100.890  4146.37  142.854  4358.19  142.506   65.301   1.1270   66.951   1.0965 -1.650421 1.572369 
1 1 1   -2    7   29 o   25.878   1.2248  654.002   61.454  697.955   87.756  611.706   86.086   26.735   1.6910   25.021   1.7724 1.713797 2.449668 
1 1 1   -2    7   30 o   39.305   0.8872  1505.58   67.666  1537.85   97.213  1475.26   94.245   39.712   1.2611   38.897   1.2482 0.8146706 1.774325 
1 1 1   -2    7   31 o   15.118   2.1737  238.680   61.554  256.167   85.484  219.850   88.707   15.754   2.9023   14.482   3.2369 1.271744 4.347471 
1 1 1   -2    7   32 o   18.875   1.7218  360.995   62.153  430.405   87.976  291.831   87.820   20.765   2.1825   16.984   2.6637 3.780952 3.443633 
1 1 1   -2    7   33 o   29.132   1.1709  839.904   66.190  847.382   95.141  832.889   92.145   29.251   1.6756   29.013   1.6361 0.2377377 2.341855 
1 1 1   -2    7   34 o   26.428   1.3426  700.459   68.753  646.917   96.285  756.158   98.205   25.372   1.9550   27.484   1.8408 -2.112038 2.685215 
1 1 1   -2    7   35 o   12.171   2.5938  172.100   66.750  192.409   93.678  151.153   95.135   12.869   3.6057   11.474   3.7295 1.395905 5.187500 
1 1 1   -2    8    1 o   45.580   0.5377  2014.30   47.547  2090.45   68.604  1943.91   65.958   46.408   0.7615   44.752   0.7593 1.656082 1.075362 
1 1 1   -2    8    2 o  123.489   1.4411 15060.28  323.001 15559.15  395.957 14068.02  558.432  126.604   1.6112  120.374   2.3898 6.229111 2.882221 
1 1 1   -2    8    3 o  355.501   1.6535 122682.10  1119.42 122767.60  1763.44 122624.40  1448.75  355.595   2.5547  355.406   2.0999 0.1893005 3.306986 
1 1 1   -2    8    4 o   95.526   0.8857  8855.26  164.200  8752.67  229.271  8963.29  235.274   94.958   1.2438   96.094   1.2613 -1.135643 1.771405 
1 1 1   -2    8    5 o  357.621   1.4902 124166.20  1034.42 123755.70  1454.79 124586.00  1471.14  357.023   2.0991  358.218   2.1156 -1.194733 2.980304 
1 1 1   -2    8    6 f  189.032   1.1953 34691.71  438.611 34890.00  620.524 34493.71  620.055  189.572   1.6862  188.492   1.6946 1.079956 2.390634 
1 1 1   -2    8    7 o  155.244   1.1401 23401.92  343.570 23627.53  486.284 23177.06  485.480  155.992   1.6059  154.497   1.6188 1.494705 2.280220 
1 1 1   -2    8    8 f  163.958   1.1576 26102.38  368.393 26521.78  522.549 25687.95  519.437  165.268   1.6288  162.649   1.6452 2.619415 2.315105 
1 1 1   -2    8    9 o  129.840   0.9356 16336.26  228.597 16243.28  289.272 16490.88  373.046  129.353   1.1520  130.327   1.4746 -0.9741669 1.871228 
1 1 1   -2    8   10 o  205.730   1.2447 40954.96  469.109 40679.59  574.165 41507.86  813.584  204.704   1.4449  206.756   2.0271 -2.052521 2.489383 
1 1 1   -2    8   11 o  117.695   0.9110 13361.28  201.118 13123.74  252.561 13772.97  332.491  116.276   1.1190  119.114   1.4380 -2.837837 1.822038 
1 1 1   -2    8   12 o  385.388   1.4797 144078.91  1085.60 143601.70  1402.91 144791.09  1713.90  384.604   1.8791  386.173   2.2863 -1.568756 2.959454 
1 1 1   -2    8   13 o   89.759   0.8128  7806.31  136.015  7769.84  169.925  7871.34  226.913   89.469   0.9784   90.049   1.2981 -0.5800629 1.625543 
1 1 1   -2    8   14 o  274.933   1.3033 73230.29  682.405 72597.71  881.456 74176.59  1078.11  273.461   1.6605  276.405   2.0093 -2.943573 2.606658 
1 1 1   -2    8   15 o  363.376   1.3129 128204.70  925.127 128115.70  1338.80 128286.00  1279.84  363.252   1.8986  363.499   1.8138 -0.2468262 2.625773 
1 1 1   -2    8   16 o  162.583   0.9983 25661.40  315.072 25607.67  444.231 25715.78  446.938  162.412   1.4090  162.754   1.4147 -0.3423309 1.996661 
1 1 1   -2    8   17 o  165.331   1.0100 26538.57  324.160 26594.58  458.573 26482.63  458.290  165.506   1.4274  165.157   1.4295 0.3488159 2.020085 
1 1 1   -2    8   18 o  140.274   0.9391 19104.95  255.696 19250.11  362.988 18961.98  360.244  140.803   1.3281  139.745   1.3280 1.057739 1.878103 
1 1 1   -2    8   19 o  107.736   0.9546 11196.73  194.043 10964.99  245.736 11580.54  316.253  106.271   1.1912  109.202   1.4919 -2.931664 1.909122 
1 1 1   -2    8   20 o   96.835   0.8072  9105.30  151.727  9147.79  214.661  9062.87  214.487   97.061   1.1393   96.609   1.1437 0.4517365 1.614353 
1 1 1   -2    8   21 o   80.174   0.8844  6203.21  130.624  6368.24  224.672  6118.94  160.548   80.966   1.4295   79.381   1.0419 1.584259 1.768894 
1 1 1   -2    8   22 o   70.458   0.7139  4819.46   97.622  4880.40  139.715  4761.33  136.460   70.892   1.0153   70.023   1.0039 0.8697815 1.427799 
1 1 1   -2    8   23 o   63.799   0.7035  3953.81   87.096  3912.93  124.260  3993.29  122.114   63.474   1.0085   64.124   0.9810 -0.6495056 1.406927 
1 1 1   -2    8   24 o   92.411   0.8579  8297.04  153.889  8282.09  218.167  8311.85  217.102   92.328   1.2173   92.494   1.2092 -0.1663742 1.715762 
1 1 1   -2    8   25 o   58.315   0.7167  3302.02   81.074  3338.05  117.127  3268.89  112.335   58.620   1.0293   58.011   0.9976 0.6089363 1.433400 
1 1 1   -2    8   26 o   76.175   0.7822  5638.29  115.654  5657.42  164.496  5619.60  162.637   76.302   1.1106   76.048   1.1017 0.2547836 1.564344 
1 1 1   -2    8   27 o   71.169   0.7887  4923.43  108.952  4878.01  154.553  4968.30  153.616   70.842   1.1239   71.496   1.1068 -0.6541519 1.577403 
1 1 1   -2    8   28 o   56.038   0.7880  3052.27   85.658  2899.54  119.900  3211.48  122.417   54.605   1.1311   57.471   1.0973 -2.865463 1.575938 
1 1 1   -2    8   29 o   83.216   0.8546  6742.17  138.047  6710.02  194.140  6775.05  196.334   83.016   1.2047   83.416   1.2125 -0.3996201 1.709249 
1 1 1   -2    8   30 o   96.916   0.9348  9163.55  175.849  9047.25  247.400  9282.30  249.996   96.294   1.3235   97.538   1.3204 -1.244118 1.869525 
1 1 1   -2    8   31 o   42.200   0.8660  1739.07   70.937  1760.71  101.034  1718.04   99.621   42.459   1.2258   41.942   1.2236 0.5171394 1.732015 
1 1 1   -2    8   32 o   36.023   0.9784  1275.35   68.274  1295.08   94.030  1253.34   99.294   36.333   1.3332   35.713   1.4323 0.6197510 1.956753 
1 1 1   -2    8   33 o   37.725   0.9901  1400.31   72.482  1445.15  104.186  1358.25  100.904   38.310   1.4010   37.141   1.3996 1.169212 1.980276 
1 1 1   -2    8   34 o   14.940   2.1882  241.668   62.584  309.431   89.592  177.092   87.460   17.287   2.6698   12.594   3.4676 4.693469 4.376341 
1 1 1   -2    8   35 o   37.479   1.0139  1394.48   73.632  1444.51  108.043  1351.10  100.616   38.087   1.4613   36.870   1.4058 1.217300 2.027761 
1 1 1   -2    9    1 o   99.829   0.9773  9671.48  189.355  9804.01  270.570  9544.27  265.090  100.500   1.3869   99.159   1.3772 1.340141 1.954531 
1 1 1   -2    9    2 o  171.896   1.4167 28691.86  466.309 28641.35  721.052 28728.16  611.361  171.763   2.1626  172.029   1.8308 -0.2655945 2.833446 
1 1 1   -2    9    3 o  297.384   1.7440 85851.46  1006.68 86982.52  1434.49 84753.94  1413.07  299.314   2.4689  295.455   2.4638 3.859039 3.487965 
1 1 1   -2    9    4 o  164.651   1.5068 26437.53  472.509 25699.22  738.518 26949.21  614.816  162.691   2.3385  166.611   1.9010 -3.919907 3.013665 
1 1 1   -2    9    5 o  341.506   1.4785 113235.70  980.101 113497.30  1384.73 112973.20  1387.42  341.902   2.0864  341.111   2.0953 0.7908020 2.956920 
1 1 1   -2    9    6 o  102.310   0.9112 10161.35  180.970 10142.47  255.472 10180.37  256.391  102.214   1.2876  102.405   1.2898 -0.1907654 1.822457 
1 1 1   -2    9    7 o  159.409   1.1276 24672.53  348.909 24507.90  490.045 24841.79  496.891  158.870   1.5890  159.948   1.6004 -1.078033 2.255250 
1 1 1   -2    9    8 f   87.568   0.8743  7430.17  148.139  7275.92  200.710  7614.74  219.556   86.572   1.1943   88.564   1.2771 -1.991386 1.748545 
1 1 1   -2    9    9 o  147.584   0.9902 21166.66  276.284 21236.89  353.080 21055.74  443.722  147.905   1.2298  147.263   1.5522 0.6413879 1.980331 
1 1 1   -2    9   10 o  387.833   1.4308 146147.50  1060.03 146625.50  1382.55 145465.70  1651.19  388.616   1.8327  387.050   2.1977 1.566040 2.861592 
1 1 1   -2    9   11 o  140.486   1.0642 19177.47  289.335 19411.60  395.375 18907.52  424.543  141.411   1.4403  139.561   1.5671 1.849991 2.128453 
1 1 1   -2    9   12 o  104.099   0.8613 10536.14  168.454 10588.27  213.226 10449.57  274.769  104.443   1.0517  103.754   1.3643 0.6888733 1.722583 
1 1 1   -2    9   13 o  267.456   1.2784 69322.28  651.158 68814.45  841.318 70080.96  1028.33  266.243   1.6279  268.669   1.9717 -2.426178 2.556891 
1 1 1   -2    9   14 o   94.342   0.9575  8634.52  174.928  8563.96  238.743  8716.32  257.040   93.927   1.3094   94.758   1.3974 -0.8309402 1.915014 
1 1 1   -2    9   15 o  428.591   1.4714 178776.09  1212.71 181529.50  1615.46 175221.00  1835.62  432.394   1.9247  424.789   2.2261 7.605103 2.942760 
1 1 1   -2    9   16 o  131.542   0.9991 16767.52  250.943 16629.48  326.056 16968.08  393.027  130.882   1.2834  132.202   1.5315 -1.320175 1.998134 
1 1 1   -2    9   17 o  164.453   1.0567 26266.51  336.839 26408.84  464.483 26108.63  489.201  164.924   1.4508  163.981   1.5368 0.9434052 2.113484 
1 1 1   -2    9   18 o  164.273   1.1040 26195.24  348.804 26122.22  462.674 26291.38  530.900  164.014   1.4532  164.532   1.6623 -0.5177307 2.207922 
1 1 1   -2    9   19 o  179.096   1.0604 31140.70  368.591 31691.79  526.519 30611.06  516.169  180.649   1.5015  177.543   1.4977 3.106644 2.120722 
1 1 1   -2    9   20 o   55.007   0.6432  2937.57   68.683  2945.62   97.470  2929.63   96.799   55.082   0.9116   54.932   0.9078 0.1496429 1.286493 
1 1 1   -2    9   21 o   94.412   0.7752  8653.17  142.053  8821.08  203.194  8492.66  198.669   95.308   1.0983   93.517   1.0944 1.790840 1.550466 
1 1 1   -2    9   22 o   83.005   0.7596  6691.15  122.395  6644.32  173.230  6737.82  172.954   82.715   1.0789   83.295   1.0697 -0.5803452 1.519272 
1 1 1   -2    9   23 o   63.685   0.6960  3938.59   86.035  3963.68  122.511  3914.17  120.850   63.885   0.9879   63.485   0.9806 0.4000092 1.391968 
1 1 1   -2    9   24 o   69.698   0.8914  4786.86  115.228  4959.57  144.603  4486.42  190.721   71.456   1.0425   67.939   1.4462 3.517586 1.782741 
1 1 1   -2    9   25 o   28.349   0.9962  783.630   54.654  736.283   78.750  827.627   75.912   27.518   1.4742   29.179   1.3402 -1.661604 1.992372 
1 1 1   -2    9   26 o   63.439   0.9198  3879.22  107.169  3811.64  131.184  4014.80  185.822   62.631   1.0790   64.246   1.4900 -1.614502 1.839660 
1 1 1   -2    9   27 o   51.372   0.7917  2567.99   78.859  2477.51  112.849  2654.34  110.243   50.484   1.1515   52.259   1.0867 -1.774986 1.583351 
1 1 1   -2    9   28 o   30.660   1.0823  917.019   64.307  886.187   92.675  945.649   89.305   30.159   1.5830   31.162   1.4763 -1.003141 2.164611 
1 1 1   -2    9   29 o   65.130   0.7922  4129.06  100.151  4199.18  141.536  4058.74  141.735   65.686   1.1100   64.575   1.1307 1.111092 1.584492 
1 1 1   -2    9   30 o   17.182   1.9045  303.421   59.985  217.507   84.943  388.882   84.719   14.495   3.1119   19.870   2.1964 -5.375202 3.808968 
1 1 1   -2    9   31 o   32.338   1.0413  1026.06   65.216  946.548   92.238  1105.53   92.221   31.072   1.5292   33.605   1.4137 -2.532705 2.082602 
1 1 1   -2    9   32 o   22.854   1.3741  517.882   60.883  555.434   87.906  483.262   84.404   23.657   1.9143   22.051   1.9718 1.605236 2.748173 
1 1 1   -2    9   33 o   11.539   2.4315  143.284   61.007   91.341   88.275  190.777   84.409   9.8364   3.5750   13.242   3.2966 -3.405498 4.862968 
1 1 1   -2    9   34 o   12.478   2.9418  166.726   77.529  152.590   91.443  202.863  146.208   11.712   3.6388   13.244   4.6234 -1.531836 5.883581 
1 1 1   -2    9   35 o   19.610   2.4057  387.778   82.090  328.619   96.103  547.427  157.874   17.568   2.8180   21.651   3.8997 -4.083221 4.811361 
1 1 1   -2   10    1 o  165.301   1.2528 26525.15  401.995 26536.17  566.742 26514.00  570.290  165.336   1.7658  165.267   1.7776 0.6925964E-01 2.505642 
1 1 1   -2   10    2 o  205.523   1.3848 41000.71  552.435 41639.45  786.130 40377.54  776.481  207.104   1.9554  203.942   1.9614 3.162491 2.769593 
1 1 1   -2   10    3 o  154.481   1.6352 23170.95  490.337 23239.86  691.384 23101.21  695.518  154.712   2.3021  154.250   2.3228 0.4626465 3.270374 
1 1 1   -2   10    4 o  465.042   1.7877 210271.80  1589.52 208415.91  2465.79 211591.41  2079.18  463.265   2.7420  466.819   2.2944 -3.554138 3.575315 
1 1 1   -2   10    5 o  147.549   1.2033 21157.61  342.451 20940.94  512.759 21332.06  460.105  146.864   1.7986  148.234   1.5990 -1.369797 2.406589 
1 1 1   -2   10    6 o  210.406   1.3904 42993.65  567.893 43091.67  800.970 42894.57  805.292  210.648   1.9588  210.164   1.9739 0.4832153 2.780889 
1 1 1   -2   10    7 o  111.391   1.0003 12047.37  216.284 12031.47  306.455 12063.16  305.292  111.318   1.4182  111.465   1.4110 -0.1467209 2.000518 
1 1 1   -2   10    8 o  259.246   1.3821 65357.69  692.675 66320.51  941.846 64223.43  1022.27  261.335   1.8566  257.156   2.0479 4.178864 2.764185 
1 1 1   -2   10    9 o  171.608   1.0636 28602.12  346.099 28641.92  444.400 28540.77  551.754  171.765   1.3328  171.451   1.6578 0.3140717 2.127165 
1 1 1   -2   10   10 o  131.383   1.0760 16755.44  274.399 16534.90  385.939 16980.90  390.213  130.509   1.5234  132.258   1.5199 -1.748489 2.151940 
1 1 1   -2   10   11 o  256.067   1.2392 63573.53  604.279 63240.63  781.167 64069.55  953.536  255.238   1.5766  256.895   1.9121 -1.657486 2.478309 
1 1 1   -2   10   12 o  115.814   0.9252 13067.32  201.794 13219.03  256.789 12822.37  326.299  116.698   1.1336  114.931   1.4626 1.767448 1.850425 
1 1 1   -2   10   13 o  274.608   1.2920 73342.00  677.514 73954.51  884.032 72470.16  1054.70  276.006   1.6500  273.209   1.9887 2.796967 2.584073 
1 1 1   -2   10   14 o  347.928   1.3960 117797.30  930.944 119257.10  1227.12 115818.00  1428.90  350.483   1.8037  345.374   2.1313 5.108917 2.792082 
1 1 1   -2   10   15 o  352.097   1.4071 120638.40  949.524 122106.80  1251.48 118646.30  1457.62  354.638   1.8179  349.556   2.1481 5.082642 2.814138 
1 1 1   -2   10   16 o  162.413   1.1614 25623.17  361.150 25684.95  473.491 25537.23  558.445  162.652   1.4996  162.174   1.7739 0.4776764 2.322865 
1 1 1   -2   10   17 o  225.965   1.2850 49474.67  551.434 49055.56  708.356 50119.33  878.524  224.766   1.6235  227.165   1.9923 -2.398636 2.570004 
1 1 1   -2   10   18 o   87.003   0.8562  7305.43  139.685  7183.19  175.382  7517.49  231.003   86.017   1.0504   87.988   1.3525 -1.971275 1.712434 
1 1 1   -2   10   19 o  118.432   0.8748 13618.72  201.108 13638.21  286.040 13599.67  282.807  118.516   1.2433  118.349   1.2310 0.1671600 1.749644 
1 1 1   -2   10   20 o  106.947   0.8474 11107.81  175.798 11094.04  253.326 11120.61  244.160  106.882   1.2210  107.012   1.1754 -0.1301422 1.694789 
1 1 1   -2   10   21 o  143.352   0.9919 19962.97  276.016 19941.07  390.037 19984.95  390.655  143.273   1.4024  143.431   1.4031 -0.1574707 1.983792 
1 1 1   -2   10   22 o  209.908   1.2216 42884.18  496.594 43699.74  683.255 41970.95  723.011  212.039   1.6600  207.778   1.7926 4.260834 2.443131 
1 1 1   -2   10   23 o   70.499   0.7262  4826.99   99.379  4860.92  140.906  4793.40  140.184   70.746   1.0260   70.253   1.0279 0.4931335 1.452389 
1 1 1   -2   10   24 o  109.345   0.9452 11621.74  200.517 11535.84  287.687 11702.91  279.632  108.949   1.3603  109.740   1.3127 -0.7910080 1.890365 
1 1 1   -2   10   25 o   91.231   0.8409  8088.28  148.912  8079.03  211.577  8097.36  209.623   91.179   1.1954   91.284   1.1830 -0.1045151 1.681792 
1 1 1   -2   10   26 o   52.816   0.7601  2710.81   77.884  2595.72  109.601  2828.21  110.696   51.683   1.0925   53.950   1.0570 -2.267021 1.520103 
1 1 1   -2   10   27 o   92.849   0.9055  8382.63  163.193  8450.07  232.869  8317.56  228.764   93.215   1.2869   92.483   1.2743 0.7320175 1.811073 
1 1 1   -2   10   28 o  103.879   0.9811 10505.71  197.836 10490.42  280.401 10520.86  279.167  103.803   1.3916  103.956   1.3834 -0.1523361 1.962211 
1 1 1   -2   10   29 o   40.278   0.8866  1583.70   69.160  1486.30   98.884  1676.98   96.765   39.057   1.3043   41.499   1.2012 -2.441856 1.773128 
1 1 1   -2   10   30 o   23.059   1.3505  518.381   60.100  603.822   88.745  446.001   81.681   24.811   1.8426   21.307   1.9749 3.504162 2.701014 
1 1 1   -2   10   31 o   44.615   0.8431  1947.43   72.895  1859.70  104.445  2030.75  101.784   43.624   1.2334   45.607   1.1497 -1.982380 1.686129 
1 1 1   -2   10   32 f   12.269   2.4269   81.566   70.336 -35.7131   84.537  345.365  126.787   6.7290   3.0394   17.809   3.7843 -11.07955 4.853718 
1 1 1   -2   10   33 o   14.779   2.6538  253.174   73.182  273.647   87.051  203.837  135.136   16.077   2.8959   13.480   4.4480 2.596359 5.307649 
1 1 1   -2   10   34 o   12.862   2.5963  207.265   78.041  281.031   92.789   28.936  144.270   16.083   3.0843   9.6416   4.1774 6.441376 5.192620 
1 1 1   -2   10   35 o   11.975   3.0189  163.885   83.402  162.937   97.981  166.379  158.913   11.835   3.7788   12.115   4.7092 -0.2799234 6.037845 
1 1 1   -2   11    1 o  201.511   1.3987 39408.62  547.011 38760.63  764.466 40088.49  783.050  199.814   1.9709  203.208   1.9851 -3.393433 2.797347 
1 1 1   -2   11    2 o  243.533   1.6885 57586.20  798.177 58140.83  1129.57 57033.08  1128.02  244.704   2.3780  242.361   2.3977 2.343124 3.376904 
1 1 1   -2   11    3 o  232.690   1.6894 52573.44  763.043 52542.66  1074.47 52604.75  1083.80  232.622   2.3795  232.758   2.3987 -0.1366425 3.378712 
1 1 1   -2   11    4 o  362.160   1.8315 127367.10  1287.55 128269.00  1828.44 126479.90  1813.39  363.432   2.5917  360.888   2.5885 2.543335 3.663003 
1 1 1   -2   11    5 o   96.248   0.9275  8995.34  172.899  8959.49  252.822  9026.84  236.978   96.067   1.3557   96.429   1.2660 -0.3617706 1.854932 
1 1 1   -2   11    6 o  193.255   1.3147 36298.02  487.781 36460.10  644.568 36080.79  746.189  193.769   1.7136  192.741   1.9944 1.027481 2.629474 
1 1 1   -2   11    7 o  258.629   1.4378 64950.00  721.760 66323.05  1029.37 63622.16  1012.29  261.318   2.0293  255.941   2.0375 5.376877 2.875647 
1 1 1   -2   11    8 o  165.319   1.1553 26536.53  370.739 26508.79  523.027 26564.54  525.591  165.232   1.6307  165.406   1.6369 -0.1734314 2.310549 
1 1 1   -2   11    9 o  122.374   1.0466 14538.55  248.622 14672.52  351.849 14404.95  351.361  122.937   1.4744  121.811   1.4859 1.126320 2.093274 
1 1 1   -2   11   10 o  138.271   0.9727 18550.24  253.793 18520.29  322.914 18598.64  410.473  138.128   1.2043  138.415   1.5277 -0.2870789 1.945307 
1 1 1   -2   11   11 o  222.872   1.1988 48287.30  508.498 48567.20  658.319 47873.28  800.641  223.678   1.5162  222.066   1.8573 1.611771 2.397602 
1 1 1   -2   11   12 o  235.428   1.2285 53825.57  550.798 53900.87  713.143 53714.26  867.134  235.637   1.5591  235.219   1.8991 0.4178162 2.457092 
1 1 1   -2   11   13 o   88.413   0.8332  7620.14  137.559  7708.22  172.914  7468.30  227.030   89.113   0.9996   87.713   1.3334 1.400505 1.666463 
1 1 1   -2   11   14 o  434.320   1.4648 183028.41  1215.87 182442.00  1584.88 183867.09  1895.52  433.489   1.8834  435.151   2.2440 -1.661774 2.929666 
1 1 1   -2   11   15 o  516.745   1.6812 259315.41  1669.37 259358.70  2209.70 259257.80  2547.95  516.815   2.2026  516.676   2.5404 0.1389771 3.362323 
1 1 1   -2   11   16 o  123.475   1.0048 14833.89  233.104 14931.54  295.175 14672.08  379.971  124.020   1.2261  122.929   1.5923 1.090546 2.009669 
1 1 1   -2   11   17 o  107.344   0.9697 11245.11  194.880 11410.38  246.064 10967.00  319.197  108.412   1.1692  106.275   1.5472 2.137001 1.939355 
1 1 1   -2   11   18 f  230.849   1.3300 51959.41  582.723 52706.65  752.085 50836.98  921.749  232.955   1.6631  228.743   2.0759 4.211365 2.659938 
1 1 1   -2   11   19 o   87.748   0.8819  7491.29  144.137  7529.67  180.284  7423.30  239.961   88.066   1.0546   87.431   1.4139 0.6346130 1.763862 
1 1 1   -2   11   20 o  113.621   1.0561 12444.52  220.077 12251.71  269.107 12833.88  382.412  112.318   1.2343  114.924   1.7142 -2.605576 2.112301 
1 1 1   -2   11   21 o   78.985   1.0477  6063.73  160.508  5764.81  226.490  6365.31  227.498   77.027   1.5147   80.943   1.4479 -3.916183 2.095422 
1 1 1   -2   11   22 o   61.915   0.8109  3654.50   93.515  3491.15  115.655  3962.96  158.928   59.959   0.9937   63.871   1.2818 -3.911972 1.621891 
1 1 1   -2   11   23 o   32.430   0.8462  1024.45   53.110  943.067   75.678  1103.43   74.554   31.156   1.2513   33.704   1.1395 -2.547819 1.692415 
1 1 1   -2   11   24 f   89.093   0.8399  7712.62  145.246  7633.28  206.116  7790.88  204.708   88.637   1.1979   89.549   1.1776 -0.9118958 1.679840 
1 1 1   -2   11   25 o   44.493   0.9006  1928.53   75.538  1942.48   96.170  1906.07  122.050   44.712   1.1080   44.275   1.4201 0.4366379 1.801208 
1 1 1   -2   11   26 o  104.425   0.9240 10603.36  187.300 10494.00  264.645 10713.11  265.119  103.885   1.3123  104.965   1.3012 -1.080574 1.848039 
1 1 1   -2   11   27 o  122.116   1.1101 14510.22  263.094 14181.35  367.336 14856.60  376.994  120.696   1.5678  123.535   1.5721 -2.839104 2.220278 
1 1 1   -2   11   28 o   55.297   0.9944  2956.50   97.527  3029.62  180.027  2926.13  116.027   55.741   1.6638   54.853   1.0897 0.8882866 1.988855 
1 1 1   -2   11   29 o   36.097   1.1478  1214.10   77.483  1071.31   95.387  1491.09  132.852   33.138   1.4828   39.055   1.7524 -5.917362 2.295567 
1 1 1   -2   11   30 o   22.777   1.7826  539.960   73.110  599.483   91.347  433.881  121.945   24.710   1.9044   20.843   3.0140 3.866896 3.565206 
1 1 1   -2   11   31 o   47.933   1.0203  2240.47   89.465  2218.34  109.318  2285.37  155.686   47.653   1.1818   48.214   1.6634 -0.5617294 2.040505 
1 1 1   -2   11   32 o   22.808   1.7376  496.954   73.435  439.645   89.354  616.206  128.895   20.970   2.1951   24.645   2.6943 -3.674751 3.475265 
1 1 1   -2   11   33 o   12.206   2.4465  175.363   73.468  265.120   88.873 -18.3622  130.566   15.757   3.0155   8.6549   3.8532 7.101631 4.892910 
1 1 1   -2   11   34 f   25.868   1.7691  660.902   80.760  622.343   94.982  761.519  153.431   24.850   1.9690   26.886   2.9398 -2.035690 3.538267 
1 1 1   -2   12    1 o  305.742   1.7553 90771.07  1041.76 91093.73  1468.81 90444.45  1477.77  306.290   2.4704  305.195   2.4944 1.094788 3.510681 
1 1 1   -2   12    2 o  276.445   1.7251 74207.35  925.725 74604.45  1308.98 73810.01  1309.36  277.185   2.4328  275.705   2.4465 1.480469 3.450192 
1 1 1   -2   12    3 o  239.347   1.5920 55690.40  731.907 56084.46  969.364 55167.85  1116.26  240.341   2.0778  238.354   2.4125 1.986694 3.183937 
1 1 1   -2   12    4 o  240.663   1.7126 56247.59  799.989 56037.06  1122.59 56464.83  1140.33  240.207   2.4075  241.120   2.4363 -0.9132690 3.425163 
1 1 1   -2   12    5 o   31.325   0.4042  952.062   24.570  983.382   35.124  922.048   34.383   31.830   0.5685   30.821   0.5747 1.008617 0.8083494 
1 1 1   -2   12    6 o  122.540   1.0411 14588.31  246.451 14494.66  366.461 14665.64  333.004  122.179   1.5451  122.902   1.3958 -0.7232208 2.082239 
1 1 1   -2   12    7 o  175.858   1.1927 30029.67  407.136 30330.25  575.981 29729.50  575.573  176.738   1.6789  174.978   1.6945 1.759750 2.385374 
1 1 1   -2   12    8 o  284.772   1.4763 78748.12  816.015 80035.41  1160.95 77491.13  1147.21  287.072   2.0833  282.472   2.0922 4.600525 2.952549 
1 1 1   -2   12    9 o  268.981   1.4142 70249.26  734.760 70243.20  991.153 70256.66  1094.77  268.974   1.8983  268.989   2.0966 -0.1556396E-01 2.828330 
1 1 1   -2   12   10 o  109.475   0.9854 11617.07  209.017 11376.76  285.653 11894.01  306.652  108.259   1.3593  110.691   1.4271 -2.432869 1.970886 
1 1 1   -2   12   11 o  169.844   1.0807 27972.09  347.820 27863.09  445.500 28142.26  556.641  169.423   1.3546  170.264   1.6842 -0.8412476 2.161338 
1 1 1   -2   12   12 o   84.432   0.8857  6922.41  145.087  7005.14  202.502  6835.16  207.977   84.951   1.2280   83.913   1.2768 1.037354 1.771487 
1 1 1   -2   12   13 o  377.874   1.4663 138644.20  1046.23 138670.59  1333.16 138602.00  1688.05  377.936   1.8172  377.812   2.3017 0.1232300 2.932557 
1 1 1   -2   12   14 o  261.307   1.3614 66140.87  686.729 64883.37  919.931 67723.65  1032.08  258.513   1.8332  264.102   2.0132 -5.589142 2.722753 
1 1 1   -2   12   15 o  215.931   1.2512 45331.56  513.872 45587.23  664.404 44950.93  810.679  216.696   1.5795  215.165   1.9409 1.530945 2.502401 
1 1 1   -2   12   16 o  223.763   1.2619 48674.77  537.810 48913.37  697.195 48324.17  845.133  224.451   1.6002  223.076   1.9517 1.374741 2.523806 
1 1 1   -2   12   17 o  223.873   1.3012 48699.05  553.413 48783.77  713.146 48570.83  877.438  224.133   1.6391  223.613   2.0214 0.5201416 2.602452 
1 1 1   -2   12   18 o  118.449   1.0653 13681.17  231.459 13798.73  284.763 13452.29  397.335  119.213   1.2305  117.686   1.7393 1.527275 2.130564 
1 1 1   -2   12   19 o  121.982   1.0378 14518.39  237.075 14713.40  299.361 14190.36  388.263  123.096   1.2528  120.868   1.6548 2.227722 2.075566 
1 1 1   -2   12   20 o  112.184   1.0709 12267.20  222.279 12362.57  275.990 12091.12  375.000  112.823   1.2602  111.545   1.7319 1.277565 2.141826 
1 1 1   -2   12   21 o  132.614   1.1878 17085.81  291.468 17070.68  361.133 17114.08  493.661  132.557   1.4035  132.672   1.9168 -0.1143951 2.375700 
1 1 1   -2   12   22 o   84.919   0.9716  6963.02  150.489  6880.81  183.187  7133.66  263.920   84.168   1.1212   85.670   1.5870 -1.501938 1.943108 
1 1 1   -2   12   23 o  133.552   1.3169 17344.25  327.502 17330.80  408.952 17368.31  546.851  133.521   1.5778  133.583   2.1089 -0.6178284E-01 2.633802 
1 1 1   -2   12   24 o   51.219   0.8641  2526.45   81.808  2476.91  100.794  2622.07  140.044   50.498   1.0283   51.940   1.3890 -1.442078 1.728181 
1 1 1   -2   12   25 o  129.491   1.3172 16236.28  316.353 16024.20  391.962 16632.58  535.815  128.344   1.5733  130.638   2.1129 -2.294159 2.634303 
1 1 1   -2   12   26 o   30.938   1.2138  903.044   69.555  841.295   85.079  1027.49  120.780   29.405   1.4905   32.470   1.9162 -3.065222 2.427663 
1 1 1   -2   12   27 o   91.341   1.1005  8174.98  185.118  8292.61  229.078  7953.60  314.265   92.339   1.2780   90.343   1.7920 1.995773 2.201025 
1 1 1   -2   12   28 o   77.470   1.0082  5852.15  143.127  5865.02  175.651  5826.73  246.903   77.643   1.1654   77.297   1.6455 0.3451538 2.016398 
1 1 1   -2   12   29 o   25.014   1.5460  630.758   70.466  666.830   87.389  563.706  119.144   26.118   1.7237   23.910   2.5670 2.207981 3.092037 
1 1 1   -2   12   30 o   49.558   1.0217  2365.68   92.513  2300.88  112.427  2501.59  162.812   48.576   1.1923   50.541   1.6595 -1.964840 2.043410 
1 1 1   -2   12   31 o   24.651   1.7030  644.185   73.318  709.085   89.337  510.286  128.321   26.839   1.7148   22.463   2.9428 4.375490 3.405932 
1 1 1   -2   12   32 o   35.126   1.2650  1224.68   79.795  1230.29   96.300  1212.40  142.531   35.387   1.4019   34.864   2.1060 0.5223846 2.529951 
1 1 1   -2   12   33 o   11.353   2.7793  103.859   73.692   45.793   89.148  229.151  130.952   8.5679   3.4630   14.138   4.3482 -5.570556 5.558675 
1 1 1   -2   12   34 o   21.776   2.2251  516.339   79.993  524.621   94.056  494.687  152.079   22.733   2.1314   20.819   3.9066 1.914244 4.450193 
1 1 1   -2   13    1 o  162.922   1.1819 25723.04  367.908 25513.47  478.679 26025.53  575.090  162.116   1.5211  163.729   1.8094 -1.612396 2.363851 
1 1 1   -2   13    2 o  276.786   1.7321 74397.73  930.634 74639.47  1313.06 74153.73  1319.19  277.238   2.4399  276.334   2.4593 0.9047241 3.464249 
1 1 1   -2   13    3 o  127.910   1.0213 15855.61  247.412 15758.20  316.400 16008.89  396.921  127.408   1.2793  128.411   1.5923 -1.003181 2.042586 
1 1 1   -2   13    4 o  121.465   1.1139 14322.17  262.601 14614.90  374.015 14037.56  368.788  122.689   1.5704  120.241   1.5800 2.447990 2.227711 
1 1 1   -2   13    5 o  233.564   1.7248 53001.44  781.939 53872.04  1108.53 52139.29  1103.14  235.474   2.4252  231.654   2.4532 3.820587 3.449558 
1 1 1   -2   13    6 o  266.563   1.6104 69084.19  817.685 68709.63  1285.04 69339.02  1059.95  265.933   2.4893  267.192   2.0436 -1.259064 3.220717 
1 1 1   -2   13    7 o  236.760   1.4757 54383.91  677.306 55482.27  987.715 53409.02  930.550  239.011   2.1289  234.509   2.0442 4.502243 2.951383 
1 1 1   -2   13    8 o  170.524   1.1648 28232.46  385.557 28238.67  542.969 28226.13  547.580  170.543   1.6401  170.505   1.6544 0.3834534E-01 2.329618 
1 1 1   -2   13    9 o  326.383   1.5883 103299.50  1000.86 104729.90  1500.21 102152.30  1343.57  328.409   2.3533  324.356   2.1339 4.053009 3.176696 
1 1 1   -2   13   10 o  371.499   1.4414 134117.59  1022.19 134702.50  1331.50 133278.30  1595.17  372.495   1.8414  370.502   2.2179 1.993347 2.882729 
1 1 1   -2   13   11 o  199.591   1.1640 38687.93  441.400 38751.30  568.896 38592.08  699.667  199.800   1.4668  199.382   1.8078 0.4180756 2.327985 
1 1 1   -2   13   12 o  244.866   1.2500 58136.39  581.883 57851.14  749.567 58568.97  923.076  244.117   1.5818  245.615   1.9361 -1.498230 2.500073 
1 1 1   -2   13   13 o  145.244   1.0637 20517.10  291.269 20640.72  370.749 20317.77  470.770  145.819   1.3098  144.668   1.6764 1.151581 2.127388 
1 1 1   -2   13   14 o  208.673   1.2062 42362.20  478.946 42720.38  620.272 41833.31  753.728  209.774   1.5232  207.573   1.8706 2.201080 2.412331 
1 1 1   -2   13   15 o  191.664   1.1999 35651.75  436.528 35599.37  561.195 35732.00  694.618  191.492   1.5097  191.836   1.8653 -0.3439636 2.399721 
1 1 1   -2   13   16 o  130.263   1.0702 16527.34  262.008 16688.59  332.241 16262.12  426.099  131.111   1.3054  129.414   1.6961 1.696838 2.140329 
1 1 1   -2   13   17 o  134.714   1.1018 17559.10  277.881 17383.81  348.675 17864.26  460.049  133.805   1.3424  135.623   1.7474 -1.818451 2.203548 
1 1 1   -2   13   18 o  125.952   1.0614 15427.28  250.328 15488.33  315.234 15323.06  411.870  126.299   1.2858  125.606   1.6892 0.6934357 2.122898 
1 1 1   -2   13   19 o  111.567   0.9912 12091.94  206.412 12101.44  258.608 12075.27  342.628  111.637   1.1934  111.498   1.5830 0.1390991 1.982453 
1 1 1   -2   13   20 o  116.473   1.0362 13133.27  223.868 13025.99  277.679 13332.47  378.394  115.811   1.2352  117.135   1.6642 -1.323936 2.072455 
1 1 1   -2   13   21 o   94.070   0.9628  8555.63  167.703  8461.93  207.441  8732.40  284.925   93.342   1.1449   94.797   1.5484 -1.454910 1.925642 
1 1 1   -2   13   22 o   49.654   0.8302  2427.88   76.329  2510.62   95.543  2281.91  126.906   50.845   0.9680   48.462   1.3490 2.383827 1.660395 
1 1 1   -2   13   23 o   67.675   0.8902  4344.46  109.801  4157.06  132.635  4752.60  195.741   65.422   1.0444   69.929   1.4420 -4.507141 1.780473 
1 1 1   -2   13   24 o   80.669   0.9353  6383.64  139.868  6531.35  174.774  6120.55  233.260   81.995   1.0981   79.342   1.5145 2.652687 1.870676 
1 1 1   -2   13   25 o   54.288   0.8820  2895.89   88.839  2975.65  111.271  2755.65  147.541   55.342   1.0358   53.233   1.4278 2.109154 1.763919 
1 1 1   -2   13   26 o   72.062   0.9597  5128.75  128.270  5332.45  161.146  4776.52  211.907   74.069   1.1208   70.055   1.5583 4.013680 1.919448 
1 1 1   -2   13   27 o   57.130   0.9509  3124.31   99.710  3024.18  121.578  3330.03  174.264   55.775   1.1229   58.486   1.5349 -2.711727 1.901838 
1 1 1   -2   13   28 o   28.867   1.3910  846.211   73.515  927.447   92.721  708.706  120.633   30.844   1.5486   26.890   2.3111 3.954214 2.781975 
1 1 1   -2   13   29 o   13.995   2.5930  206.557   69.124  218.171   84.609  183.246  119.870   14.557   3.0898   13.432   4.1650 1.124257 5.185935 
1 1 1   -2   13   30 o   35.942   1.1803  1272.85   78.024  1288.87   96.408  1242.45  132.835   36.327   1.3672   35.558   1.9245 0.7690887 2.360678 
1 1 1   -2   13   31 o   52.764   0.9979  2743.80   96.259  2773.80  118.170  2684.64  165.950   53.285   1.1424   52.244   1.6364 1.041367 1.995711 
1 1 1   -2   13   32 o   18.035   2.2853  313.116   75.461  239.943   92.399  459.665  130.764   14.973   3.2705   21.098   3.1929 -6.124468 4.570672 
1 1 1   -2   13   33 o   7.9898   2.5113 -12.7229   73.297 -14.7401   88.848  -8.4254  129.686   7.2238   3.1992   8.7558   3.8720 -1.531952 5.022660 
1 1 1   -2   13   34 o   30.516   1.6143  988.873   84.030  1037.31   99.498  868.403  156.921   32.273   1.5882   28.758   2.8109 3.514368 3.228595 
1 1 1   -2   14    1 o   66.025   0.6371  4240.08   78.134  4261.33   97.390  4201.71  130.888   66.258   0.7572   65.792   1.0249 0.4668274 1.274236 
1 1 1   -2   14    2 o  140.155   1.0777 19077.02  287.247 19100.88  370.900 19041.26  454.057  140.268   1.3622  140.041   1.6703 0.2271271 2.155307 
1 1 1   -2   14    3 o  110.708   0.9322 11914.39  194.699 11965.06  247.965 11832.92  314.406  111.019   1.1506  110.398   1.4671 0.6214066 1.864494 
1 1 1   -2   14    4 o  145.508   1.2437 20555.73  351.251 20992.96  501.021 20133.11  492.575  147.030   1.7554  143.987   1.7623 3.042877 2.487433 
1 1 1   -2   14    5 o  188.725   1.7039 34599.00  624.147 34267.88  875.003 34942.00  890.556  187.807   2.4001  189.644   2.4191 -1.836823 3.407744 
1 1 1   -2   14    6 o  319.913   1.6597 99494.44  1012.20 98989.52  1586.93 99840.72  1314.24  319.204   2.5611  320.623   2.1116 -1.418823 3.319359 
1 1 1   -2   14    7 o  156.684   1.2164 23841.55  367.488 23806.12  552.415 23869.67  492.195  156.576   1.8175  156.792   1.6171 -0.2164764 2.432787 
1 1 1   -2   14    8 o  311.935   1.5729 94491.02  948.850 94462.77  1403.68 94514.77  1287.58  311.885   2.3185  311.984   2.1261 -0.9933472E-01 3.145726 
1 1 1   -2   14    9 f  147.723   1.1265 21183.52  323.008 21102.22  454.202 21266.70  459.447  147.436   1.5870  148.010   1.5991 -0.5732574 2.252948 
1 1 1   -2   14   10 o  267.288   1.5471 69308.41  801.323 70247.14  1171.68 68483.48  1098.36  268.984   2.2440  265.591   2.1304 3.393921 3.094197 
1 1 1   -2   14   11 o  113.166   0.9363 12430.87  199.248 12429.47  252.197 12433.20  325.015  113.159   1.1481  113.173   1.4794 -0.1364136E-01 1.872672 
1 1 1   -2   14   12 o  107.971   0.8883 11313.54  180.496 11305.03  228.711 11327.60  293.896  107.919   1.0918  108.023   1.4016 -0.1044388 1.776589 
1 1 1   -2   14   13 o  364.043   1.4574 128697.20  1001.50 128774.30  1275.59 128573.30  1617.07  364.199   1.8043  363.886   2.2893 0.3138123 2.914836 
1 1 1   -2   14   14 f  153.357   1.0975 22715.55  317.457 22351.14  402.195 23317.78  517.038  151.738   1.3655  154.976   1.7187 -3.238449 2.195059 
1 1 1   -2   14   15 o   25.654   0.9272  629.058   45.387  589.141   58.256  690.707   72.397   24.635   1.2182   26.673   1.3982 -2.038343 1.854480 
1 1 1   -2   14   16 o  213.669   1.2752 44477.18  517.527 45046.40  668.607 43626.42  817.399  215.391   1.5991  211.947   1.9867 3.444427 2.550353 
1 1 1   -2   14   17 o  162.410   1.1619 25743.64  356.073 26172.87  455.185 25066.80  571.588  164.175   1.4283  160.645   1.8330 3.530457 2.323727 
1 1 1   -2   14   18 o  117.331   1.0076 13375.92  221.818 13398.44  279.992 13337.96  363.502  117.471   1.2279  117.191   1.5979 0.2799530 2.015162 
1 1 1   -2   14   19 o   56.069   0.7798  3067.35   81.284  3104.95  101.628  3000.59  135.420   56.552   0.9258   55.587   1.2550 0.9650650 1.559508 
1 1 1   -2   14   20 o  145.173   1.1501 20557.59  313.712 20800.23  397.847 20158.71  510.095  146.331   1.4006  144.014   1.8247 2.316116 2.300228 
1 1 1   -2   14   21 o   91.566   0.9386  8084.27  160.121  7934.09  199.208  8358.42  269.148   90.384   1.1354   92.748   1.4949 -2.363968 1.877216 
1 1 1   -2   14   22 f   86.166   0.9177  7150.44  145.816  7015.95  179.202  7413.95  250.848   84.991   1.0862   87.341   1.4795 -2.350777 1.835439 
1 1 1   -2   14   23 o  120.008   1.1545 14039.84  259.480 14145.65  327.163 13860.41  426.031  120.647   1.3970  119.368   1.8386 1.278412 2.309097 
1 1 1   -2   14   24 o   58.834   0.8770  3364.53   95.248  3366.75  117.753  3360.34  161.992   58.872   1.0304   58.795   1.4193 0.7748413E-01 1.753915 
1 1 1   -2   14   25 o   19.588   4.4316  315.595   76.799  317.106   77.559  239.585  549.993   18.034   2.2155   21.142   8.5818 -3.108198 8.863140 
1 1 1   -2   14   26 f   63.818   0.9130  3969.56  108.217  3992.36  134.909  3928.42  181.231   64.093   1.0843   63.543   1.4693 0.5503502 1.826075 
1 1 1   -2   14   27 o   46.033   1.0062  2108.31   84.983  2215.08  105.837  1914.54  142.580   47.732   1.1423   44.334   1.6568 3.397861 2.012364 
1 1 1   -2   14   28 o   62.042   0.9688  3722.53  110.336  3667.43  135.083  3832.97  191.249   61.393   1.1335   62.692   1.5715 -1.298233 1.937661 
1 1 1   -2   14   29 o   20.353   1.9911  410.462   72.981  410.571   88.189  410.227  130.000   20.435   2.2231   20.271   3.3038 0.1646957 3.982144 
1 1 1   -2   14   30 o   23.640   1.6477  536.738   71.972  503.349   87.926  604.535  125.291   22.615   2.0029   24.664   2.6169 -2.049049 3.295392 
1 1 1   -2   14   31 o   33.287   1.2758  1102.27   76.807  1118.37   93.483  1068.84  134.738   33.767   1.4262   32.806   2.1157 0.9609642 2.551531 
1 1 1   -2   14   32 o   11.036   2.7431   93.752   71.871   41.455   87.478  202.368  126.071   8.4906   3.4309   13.581   4.2811 -5.090755 5.486219 
1 1 1   -2   14   33 o   21.319   1.9953  467.854   77.154  462.452   93.764  479.180  135.775   21.371   2.2602   21.267   3.2889 0.1038570 3.990643 
1 1 1   -2   14   34 o   20.559   2.2350  423.173   82.214  377.944   96.956  538.912  155.098   19.047   2.6223   22.071   3.6201 -3.024244 4.470078 
1 1 1   -2   15    1 o  165.637   1.1944 26593.72  377.263 26395.06  488.798 26886.42  593.327  164.880   1.5272  166.394   1.8369 -1.514465 2.388860 
1 1 1   -2   15    2 o  120.258   1.0191 14004.17  231.447 13882.41  294.338 14201.41  374.629  119.580   1.2680  120.937   1.5958 -1.356934 2.038238 
1 1 1   -2   15    3 o   39.493   0.4981  1511.89   38.151  1470.12   52.555  1558.41   55.471   38.917   0.6957   40.069   0.7132 -1.151539 0.9962832 
1 1 1   -2   15    4 o  196.284   1.7020 37431.53  648.414 37425.07  909.795 37438.19  924.370  196.268   2.3880  196.299   2.4258 -0.3131104E-01 3.403980 
1 1 1   -2   15    5 o  292.128   1.7909 82893.45  1015.46 84424.22  1446.94 81407.81  1425.44  294.786   2.5286  289.471   2.5368 5.315033 3.581751 
1 1 1   -2   15    6 o  204.853   1.3427 40605.12  528.179 41727.71  813.623 39787.45  694.383  207.285   2.0220  202.422   1.7672 4.862457 2.685428 
1 1 1   -2   15    7 o  123.327   1.0523 14785.53  250.901 14540.88  370.277 14993.22  341.164  122.381   1.5586  124.273   1.4142 -1.892181 2.104622 
1 1 1   -2   15    8 o  326.658   1.6938 103796.10  1056.70 102615.50  1644.38 104626.50  1379.16  325.058   2.6060  328.258   2.1644 -3.199921 3.387610 
1 1 1   -2   15    9 o  230.401   1.3983 51568.17  618.807 51749.85  818.669 51326.02  945.143  230.880   1.8267  229.923   2.1176 0.9566803 2.796611 
1 1 1   -2   15   10 o  128.718   1.0390 16081.00  259.598 15917.15  364.231 16250.17  370.094  128.052   1.4653  129.384   1.4736 -1.332504 2.078089 
1 1 1   -2   15   11 o  393.839   1.6511 150468.00  1259.62 152667.30  1848.05 148559.70  1721.42  396.520   2.4009  391.158   2.2671 5.361877 3.302157 
1 1 1   -2   15   12 o  293.647   1.3160 83831.54  739.024 84402.71  967.314 83030.72  1145.38  294.857   1.6900  292.437   2.0177 2.420319 2.631954 
1 1 1   -2   15   13 o  306.481   1.3434 91178.91  786.256 91098.41  1023.63 91294.71  1227.91  306.325   1.7215  306.637   2.0629 -0.3126526 2.686801 
1 1 1   -2   15   14 o  278.518   1.3338 75402.56  709.670 75811.26  926.246 74821.61  1104.32  279.441   1.7075  277.595   2.0494 1.846436 2.667508 
1 1 1   -2   15   15 f  111.861   1.0902 12135.15  236.286 11938.59  323.373 12360.32  346.100  110.891   1.5023  112.831   1.5802 -1.939850 2.180313 
1 1 1   -2   15   16 o  116.122   1.0113 13011.91  218.682 12813.29  272.108 13374.16  367.474  114.884   1.2202  117.360   1.6130 -2.476540 2.022532 
1 1 1   -2   15   17 o  130.501   1.0629 16505.58  260.361 16410.96  328.216 16666.19  427.606  130.006   1.3006  130.995   1.6816 -0.9895172 2.125853 
1 1 1   -2   15   18 o   64.423   0.7813  4024.39   93.264  4012.50  115.676  4046.49  157.655   64.290   0.9269   64.556   1.2581 -0.2660065 1.562661 
1 1 1   -2   15   19 o  141.740   1.1237 19459.25  298.322 19299.92  374.703 19735.09  493.022  140.966   1.3693  142.514   1.7822 -1.547318 2.247470 
1 1 1   -2   15   20 o   54.385   0.7966  2875.85   80.774  2885.09  101.110  2859.54  134.286   54.510   0.9555   54.260   1.2749 0.2502251 1.593277 
1 1 1   -2   15   21 o   73.864   0.8519  5278.31  116.709  5229.18  144.699  5369.76  197.425   73.382   1.0158   74.346   1.3680 -0.9645615 1.703880 
1 1 1   -2   15   22 o   87.659   0.9550  7486.57  154.870  7533.62  192.204  7399.47  261.496   88.068   1.1243   87.250   1.5439 0.8173752 1.909923 
1 1 1   -2   15   23 o   54.729   0.8528  2949.66   86.715  3054.83  109.041  2768.69  143.029   56.083   1.0016   53.375   1.3804 2.707420 1.705531 
1 1 1   -2   15   24 o   23.033   1.4644  515.909   62.028  514.377   76.305  518.894  106.503   22.995   1.7095   23.071   2.3781 -0.7604599E-01 2.928791 
1 1 1   -2   15   25 o   78.551   0.9738  6075.54  141.508  6263.39  176.787  5740.57  236.078   80.284   1.1344   76.817   1.5832 3.466820 1.947633 
1 1 1   -2   15   26 o   35.963   1.1030  1223.68   73.251  1151.55   89.435  1370.66  127.670   34.410   1.3389   37.515   1.7532 -3.104599 2.205957 
1 1 1   -2   15   27 o   82.872   1.0120  6625.12  154.013  6505.17  188.494  6866.02  267.132   81.789   1.1872   83.954   1.6391 -2.165108 2.023939 
1 1 1   -2   15   28 f   30.596   1.5115  912.819   89.772  912.819   89.772   0.0000   0.0000   30.596   1.5115  ?   ?       ?      ? 
1 1 1   -2   15   29 o   47.125   1.0066  2137.40   86.749  2080.10  105.523  2256.83  152.361   46.206   1.1765   48.045   1.6337 -1.838444 2.013193 
1 1 1   -2   15   30 o   12.513   2.5027  174.299   71.512  248.146   87.729   28.062  123.454   15.489   3.0264   9.5364   3.9869 5.952435 5.005460 
1 1 1   -2   15   31 o   21.940   1.8346  482.976   73.791  480.479   90.591  487.899  127.208   21.983   2.1229   21.897   2.9927 0.8642578E-01 3.669185 
1 1 1   -2   15   32 o   18.882   2.0456  349.374   72.224  310.052   88.987  425.277  123.634   17.481   2.6224   20.283   3.1401 -2.801949 4.091173 
1 1 1   -2   15   33 o   30.627   1.4466  897.532   80.908  816.018   97.206  1081.35  145.973   28.618   1.7498   32.635   2.3042 -4.017353 2.893276 
1 1 1   -2   15   34 o   14.305   2.8964  225.754   79.985  189.183   96.373  306.710  143.387   12.812   3.6805   15.797   4.4732 -2.984941 5.792712 
1 1 1   -2   16    1 o   50.458   0.5391  2483.12   49.955  2508.06   61.551  2434.99   85.505   50.832   0.6238   50.084   0.8795 0.7476044 1.078239 
1 1 1   -2   16    2 o  135.860   1.4372 18132.74  342.003 18411.39  405.933 17451.11  634.892  137.701   1.5186  134.019   2.4404 3.681946 2.874360 
1 1 1   -2   16    3 o  131.690   1.0669 16769.00  265.693 16536.31  338.278 17143.71  429.263  130.508   1.3353  132.872   1.6643 -2.364136 2.133728 
1 1 1   -2   16    4 o   75.125   0.8073  5479.01  117.718  5490.48  165.387  5467.23  167.593   75.205   1.1329   75.045   1.1504 0.1595917 1.614617 
1 1 1   -2   16    5 o   62.922   0.7063  3843.07   86.252  3935.09  122.451  3752.45  121.513   63.669   0.9908   62.174   1.0068 1.495216 1.412544 
1 1 1   -2   16    6 f  197.125   1.4123 37736.41  540.377 38300.05  765.201 37175.68  763.221  198.594   1.9849  195.656   2.0095 2.938095 2.824549 
1 1 1   -2   16    7 o  202.704   1.3459 39901.10  524.297 39850.72  799.698 39939.08  694.349  202.587   2.0335  202.822   1.7636 -0.2347870 2.691744 
1 1 1   -2   16    8 o  102.388   0.9567 10175.90  189.603 10183.75  278.904 10169.15  258.531  102.424   1.4028  102.352   1.3012 0.7234192E-01 1.913363 
1 1 1   -2   16    9 o  206.829   1.3555 41538.65  539.805 41460.50  816.739 41599.28  719.310  206.653   2.0360  207.005   1.7901 -0.3518677 2.711020 
1 1 1   -2   16   10 o  223.576   1.4074 48506.09  604.080 48378.09  796.831 48679.04  926.311  223.233   1.8388  223.918   2.1311 -0.6847992 2.814759 
1 1 1   -2   16   11 o  218.724   1.2149 46367.12  504.979 46072.58  649.806 46816.20  802.381  217.854   1.5366  219.595   1.8823 -1.741211 2.429855 
1 1 1   -2   16   12 o  278.918   1.4549 75479.77  786.855 76601.32  1143.68 74471.73  1084.26  280.882   2.0976  276.954   2.0168 3.928253 2.909845 
1 1 1   -2   16   13 o  380.920   1.4230 140930.80  1037.48 141154.41  1358.86 140618.30  1606.44  381.294   1.8359  380.545   2.1747 0.7491150 2.846006 
1 1 1   -2   16   14 o  218.490   1.2468 46437.05  518.697 46813.13  672.534 45884.92  814.889  219.590   1.5777  217.389   1.9311 2.201141 2.493643 
1 1 1   -2   16   15 o  326.082   1.4103 103243.60  879.015 103179.30  1147.01 103335.20  1368.29  325.974   1.8127  326.190   2.1609 -0.2157593 2.820538 
1 1 1   -2   16   16 o   95.001   0.9073  8752.21  161.095  8724.62  201.977  8800.43  267.066   94.800   1.0976   95.203   1.4451 -0.4031372 1.814665 
1 1 1   -2   16   17 o  126.160   1.0556 15460.60  249.963 15472.98  315.625 15439.77  409.395  126.236   1.2880  126.083   1.6727 0.1527405 2.111147 
1 1 1   -2   16   18 o  154.505   1.1654 23264.08  339.091 23512.95  431.409 22861.79  548.500  155.604   1.4283  153.406   1.8419 2.197021 2.330778 
1 1 1   -2   16   19 o   87.148   1.0163  7381.23  171.836  7597.30  241.730  7160.52  244.318   88.440   1.4080   85.857   1.4659 2.582657 2.032626 
1 1 1   -2   16   20 o   54.618   0.7611  2829.96   76.757  2690.87   93.870  3110.62  133.338   52.644   0.9186   56.593   1.2137 -3.949287 1.522150 
1 1 1   -2   16   21 o   66.826   0.8531  4346.76  105.536  4368.37  131.023  4306.83  178.084   67.070   1.0064   66.581   1.3779 0.4890442 1.706243 
1 1 1   -2   16   22 o   62.709   0.8307  3787.47   96.281  3715.80  118.636  3925.77  164.794   61.855   0.9880   63.563   1.3356 -1.707886 1.661316 
1 1 1   -2   16   23 o  131.454   1.3175 16773.56  321.737 16680.26  400.093 16944.32  541.264  130.982   1.5736  131.925   2.1136 -0.9423370 2.635010 
1 1 1   -2   16   24 o   72.169   0.8934  5039.19  119.420  4987.15  147.798  5137.06  202.686   71.649   1.0627   72.690   1.4364 -1.041183 1.786780 
1 1 1   -2   16   25 o   72.865   0.9225  5120.48  124.084  5031.62  152.729  5293.04  212.826   71.960   1.0934   73.771   1.4862 -1.810532 1.845050 
1 1 1   -2   16   26 o   51.896   0.9332  2620.19   89.956  2622.73  112.029  2615.57  150.928   51.947   1.1110   51.846   1.4996 0.1005783 1.866344 
1 1 1   -2   16   27 o   61.441   0.9303  3706.66  105.983  3790.64  132.463  3557.25  176.677   62.441   1.0929   60.442   1.5058 1.999031 1.860606 
1 1 1   -2   16   28 o   9.0610   2.4960   41.482   68.578   99.181   85.684 -61.3516  114.389   10.366   3.5433   7.7564   3.5165 2.609197 4.992084 
1 1 1   -2   16   29 o   36.981   1.1403  1298.65   78.214  1214.09   95.891  1466.71  135.191   35.268   1.4006   38.694   1.7999 -3.425205 2.280644 
1 1 1   -2   16   30 o   34.571   1.2142  1157.95   77.660  1124.35   95.617  1223.07  133.118   33.899   1.4531   35.243   1.9458 -1.344734 2.428480 
1 1 1   -2   16   31 o   8.6491   2.4403   24.787   70.224  101.644   87.914 -110.7041  116.727   10.266   3.5851   7.0321   3.3117 3.233997 4.880586 
1 1 1   -2   16   32 o   23.432   1.8945  604.239   76.752  687.830   94.352  440.721  131.962   26.314   1.8471   20.549   3.3082 5.764410 3.788904 
1 1 1   -2   16   33 o   17.790   2.4745  367.164   79.648  425.548  100.779  270.017  129.998   20.358   2.5501   15.222   4.2414 5.136323 4.949040 
1 1 1   -2   16   34 o   19.684   2.4462  517.683   80.512  673.690   99.751  226.084  136.376   25.767   1.9943   13.602   4.4675 12.16474 4.892382 
1 1 1   -2   17    1 o  219.713   1.3702 46890.41  578.818 46937.05  767.585 46828.94  881.288  219.849   1.7986  219.577   2.0676 0.2720947 2.740427 
1 1 1   -2   17    2 o   63.549   1.2549  3809.45   84.896  3788.05   88.482  4057.47  301.249   62.470   0.7297   64.627   2.4013 -2.156818 2.509712 
1 1 1   -2   17    3 o  199.448   1.3226 38613.64  505.848 38528.09  665.263 38730.90  778.842  199.194   1.7205  199.702   2.0091 -0.5077057 2.645106 
1 1 1   -2   17    4 o  118.779   1.0819 13698.70  249.439 13750.71  350.670 13645.43  354.887  119.007   1.5180  118.550   1.5421 0.4570847 2.163882 
1 1 1   -2   17    5 o   29.445   0.4278  839.590   24.397  813.528   33.231  870.064   35.933   28.951   0.5913   29.940   0.6183 -0.9890003 0.8555253 
1 1 1   -2   17    6 o   89.817   0.9246  7830.36  161.187  7756.38  226.327  7906.50  229.616   89.387   1.3044   90.247   1.3107 -0.8607635 1.849132 
1 1 1   -2   17    7 o   69.265   0.7639  4656.65  102.615  4664.73  148.349  4649.23  142.091   69.322   1.1024   69.207   1.0577 0.1149750 1.527738 
1 1 1   -2   17    8 o  137.148   1.1688 18255.78  309.314 18297.53  463.592 18222.28  415.260  137.288   1.7396  137.008   1.5614 0.2797394 2.337510 
1 1 1   -2   17    9 o  299.123   1.5730 86870.08  910.432 86867.30  1342.19 86872.45  1239.07  299.115   2.3116  299.131   2.1339 -0.1629639E-01 3.145938 
1 1 1   -2   17   10 o  291.885   1.5874 82698.95  896.996 83009.91  1318.82 82431.25  1223.61  292.392   2.3236  291.379   2.1633 1.013641 3.174727 
1 1 1   -2   17   11 o   48.078   0.6496  2242.76   60.605  2169.62   84.853  2318.94   86.590   47.278   0.9246   48.878   0.9126 -1.599846 1.299127 
1 1 1   -2   17   12 o   41.701   0.6106  1680.93   48.776  1646.09   63.683  1730.37   75.866   41.181   0.7966   42.222   0.9256 -1.040768 1.221246 
1 1 1   -2   17   13 o  234.380   1.3202 53298.47  597.084 52994.53  800.766 53679.05  896.055  233.632   1.7657  235.128   1.9632 -1.495773 2.640401 
1 1 1   -2   17   14 o   32.098   0.7225  992.172   44.831  911.665   60.165  1092.67   67.221   30.646   1.0114   33.551   1.0321 -2.904568 1.445052 
1 1 1   -2   17   15 o  156.907   1.1769 23833.29  347.975 23609.82  440.873 24202.54  566.713  155.942   1.4564  157.873   1.8492 -1.930756 2.353888 
1 1 1   -2   17   16 o  117.701   1.0119 13443.16  223.689 13417.57  282.512 13486.16  366.221  117.557   1.2380  117.845   1.6009 -0.2874298 2.023753 
1 1 1   -2   17   17 o  261.193   1.3718 66286.74  681.474 66336.16  879.968 66212.69  1077.16  261.338   1.7346  261.048   2.1257 0.2901611 2.743590 
1 1 1   -2   17   18 o   48.129   0.7230  2271.51   66.229  2376.66   86.759  2124.67  102.526   49.478   0.9033   46.779   1.1291 2.699608 1.445943 
1 1 1   -2   17   19 o   82.105   0.8531  6533.93  130.547  6501.15  163.015  6592.54  217.982   81.825   1.0263   82.384   1.3630 -0.5596924 1.706221 
1 1 1   -2   17   20 o   20.123   1.2932  395.487   49.011  401.398   62.434  385.995   79.115   20.324   1.5825   19.923   2.0457 0.4016647 2.586369 
1 1 1   -2   17   21 o   62.477   0.8151  3800.85   95.646  3829.69  121.082  3752.99  155.976   62.798   0.9933   62.155   1.2928 0.6435814 1.630280 
1 1 1   -2   17   22 o   55.146   0.8293  2897.57   84.809  2771.55  104.355  3142.71  145.548   53.420   1.0063   56.872   1.3184 -3.451775 1.658566 
1 1 1   -2   17   23 o   39.416   0.9015  1481.26   66.825  1401.91   83.634  1621.36  111.134   37.988   1.1342   40.843   1.4017 -2.855438 1.803092 
1 1 1   -2   17   24 o   34.003   1.0232  1099.99   65.601  1028.94   82.299  1223.81  108.641   32.536   1.3031   35.471   1.5778 -2.935436 2.046342 
1 1 1   -2   17   25 o   50.125   0.8894  2426.15   83.512  2381.74  104.670  2503.94  138.529   49.508   1.0891   50.742   1.4064 -1.233978 1.778829 
1 1 1   -2   17   26 o   21.833   1.6328  472.363   67.366  499.284   87.392  432.943  105.753   22.629   1.9895   21.038   2.5895 1.590395 3.265548 
1 1 1   -2   17   27 o   66.983   3.4271  4913.34  154.413  4943.91  157.210  4077.05  822.265   71.300   1.1359   62.667   6.7594 8.633499 6.854192 
1 1 1   -2   17   28 o   10.594   2.6304  101.135   67.056  119.368   85.551   72.088  107.982   11.039   3.5317   10.150   3.8992 0.8887043 5.260828 
1 1 1   -2   17   29 o   21.910   1.7787  485.950   71.752  514.209   90.003  436.669  118.854   22.876   2.0268   20.943   2.9235 1.932947 3.557338 
1 1 1   -2   17   30 o   13.767   2.4109  218.464   69.617  291.615   85.817   77.670  119.056   17.101   2.5851   10.433   4.0703 6.668057 4.821884 
1 1 1   -2   17   31 o   9.7175   2.6339   75.416   67.848   75.547   85.259   75.191  112.037   9.3886   3.4959   10.046   3.9405 -0.6578274 5.267727 
1 1 1   -2   17   32 o   12.061   2.7200  152.919   70.112  138.031   88.690  177.725  114.481   11.375   3.5913   12.747   4.0861 -1.372403 5.440031 
1 1 1   -2   17   33 o   26.129   1.6751  733.216   78.458  819.688   98.208  580.654  130.446   28.656   1.7655   23.601   2.8473 5.054546 3.350204 
1 1 1   -2   17   34 o   15.894   2.6829  302.517   79.492  320.498   98.348  268.634  135.002   17.052   3.0847   14.736   4.3905 2.316169 5.365848 
1 1 1   -2   18    1 o   62.132   0.6340  3713.63   71.869  3650.67   87.400  3845.08  126.294   61.327   0.7342   62.936   1.0338 -1.609337 1.267930 
1 1 1   -2   18    2 o  160.172   1.4029 24721.64  387.616 24497.55  452.887 25335.32  749.479  158.846   1.4688  161.498   2.3907 -2.651962 2.805840 
1 1 1   -2   18    3 o   17.684   0.5881  309.761   18.618  287.236   32.954  320.323   22.565   17.202   0.9869   18.166   0.6399 -0.9644794 1.176188 
1 1 1   -2   18    4 o  112.641   1.0600 12312.82  231.702 12080.21  323.078 12559.15  332.477  111.546   1.4921  113.735   1.5059 -2.189384 2.119921 
1 1 1   -2   18    5 o  150.032   1.2471 21853.98  363.185 22280.17  515.666 21434.48  511.599  151.484   1.7536  148.581   1.7738 2.903336 2.494299 
1 1 1   -2   18    6 o   50.081   0.6037  2433.09   58.666  2388.23   81.562  2481.18   84.446   49.603   0.8471   50.559   0.8604 -0.9559669 1.207419 
1 1 1   -2   18    7 o  268.126   1.7063 69887.16  879.657 70396.75  1168.65 69221.00  1336.16  269.263   2.2358  266.989   2.5781 2.274597 3.412565 
1 1 1   -2   18    8 o  282.155   1.5570 77266.61  850.608 77676.02  1249.97 76913.48  1160.85  282.848   2.2766  281.463   2.1247 1.385712 3.113994 
1 1 1   -2   18    9 o  181.475   1.2805 31958.26  447.926 32081.48  675.162 31861.40  598.645  181.785   1.9133  181.165   1.7023 0.6201172 2.560955 
1 1 1   -2   18   10 o  197.031   1.3545 37676.97  513.713 37787.96  779.008 37591.56  683.353  197.284   2.0342  196.778   1.7890 0.5064697 2.708918 
1 1 1   -2   18   11 o  179.066   1.3456 31152.80  463.921 30954.54  701.268 31307.08  618.640  178.556   2.0232  179.577   1.7747 -1.020645 2.691280 
1 1 1   -2   18   12 o  189.458   1.2619 34662.33  439.364 34278.45  538.968 35422.80  758.589  187.911   1.4776  191.005   2.0460 -3.093994 2.523720 
1 1 1   -2   18   13 o   91.144   0.8651  8065.56  147.992  8070.00  186.833  8058.08  242.460   91.179   1.0556   91.109   1.3709 0.7057953E-01 1.730231 
1 1 1   -2   18   14 o   93.675   0.9528  8521.48  173.195  8763.38  244.486  8277.80  245.385   95.010   1.3256   92.340   1.3690 2.670433 1.905612 
1 1 1   -2   18   15 o  177.938   1.2005 30800.66  405.025 31009.86  520.721 30480.25  644.440  178.713   1.5010  177.163   1.8739 1.550171 2.400944 
1 1 1   -2   18   16 o   68.826   0.7565  4609.60   98.343  4645.96  125.621  4552.03  158.058   69.179   0.9354   68.472   1.1891 0.7070694 1.512986 
1 1 1   -2   18   17 o  109.417   1.4912 11739.63  235.928 11794.01  258.727 11471.25  574.799  110.214   1.2093  108.619   2.7261 1.595047 2.982302 
1 1 1   -2   18   18 o   82.615   0.8440  6564.68  129.474  6418.01  160.262  6840.29  219.696   81.304   1.0154   83.925   1.3485 -2.621605 1.688095 
1 1 1   -2   18   19 o  130.357   1.0816 16554.43  264.215 16683.73  333.440 16336.26  433.130  131.061   1.3106  129.654   1.7209 1.405991 2.163190 
1 1 1   -2   18   20 o   67.614   0.8071  4427.85  101.691  4396.99  126.902  4483.23  169.988   67.291   0.9715   67.936   1.2890 -0.6448822 1.614101 
1 1 1   -2   18   21 o   52.411   0.7715  2677.23   76.648  2711.99   98.659  2624.30  121.735   52.846   0.9617   51.976   1.2065 0.8694687 1.542957 
1 1 1   -2   18   22 o  153.137   1.3109 22855.37  379.909 23012.56  486.830 22610.55  607.547  153.850   1.6301  152.425   2.0533 1.425232 2.621715 
1 1 1   -2   18   23 o  103.424   1.0592 10381.43  205.029 10333.53  257.489 10464.40  338.916  103.120   1.2863  103.727   1.6832 -0.6062927 2.118440 
1 1 1   -2   18   24 o   42.890   0.8842  1791.30   72.244  1805.55   93.780  1770.50  113.306   43.106   1.1207   42.674   1.3678 0.4324303 1.768331 
1 1 1   -2   18   25 o   70.101   0.9205  4775.28  120.346  4766.94  150.541  4790.04  200.320   70.035   1.1073   70.168   1.4707 -0.1336670 1.840947 
1 1 1   -2   18   26 o   84.849   0.9798  7026.02  156.036  7091.75  197.440  6916.68  254.657   85.405   1.1909   84.293   1.5563 1.112038 1.959700 
1 1 1   -2   18   27 o   71.433   0.9554  5042.64  128.417  5305.94  165.140  4639.88  204.248   73.857   1.1518   69.010   1.5247 4.847397 1.910879 
1 1 1   -2   18   28 o   33.588   1.1765  1103.68   75.049  1110.51   96.786  1093.37  118.850   33.741   1.4777   33.435   1.8312 0.3060265 2.353055 
1 1 1   -2   18   29 o   27.617   1.3871  723.445   72.813  628.759   92.214  880.239  118.664   25.313   1.8767   29.920   2.0431 -4.607256 2.774170 
1 1 1   -2   18   30 o   25.590   1.4962  622.371   72.309  543.993   90.393  761.654  120.501   23.472   1.9839   27.708   2.2403 -4.236654 2.992490 
1 1 1   -2   18   31 o   30.901   1.2795  948.676   75.138  961.808   97.277  929.253  118.304   31.232   1.6045   30.570   1.9936 0.6627350 2.559081 
1 1 1   -2   18   32 o   8.6043   2.5473   26.665   72.947   62.461   94.201 -26.9535  115.289   9.1686   3.6078   8.0400   3.5971 1.128619 5.094584 
1 1 1   -2   18   33 o   15.097   2.6741  268.883   78.399  305.794   99.864  209.592  126.568   16.757   3.1865   13.436   4.2953 3.321157 5.348232 
1 1 1   -2   18   34 o   27.701   1.5954  800.603   82.114  829.728  103.674  751.578  134.508   28.641   1.8647   26.761   2.5893 1.879663 3.190853 
1 1 1   -2   19    1 o  141.154   1.1166 19308.77  298.856 19176.89  382.910 19514.32  478.038  140.543   1.4035  141.764   1.7371 -1.220398 2.233274 
1 1 1   -2   19    2 o  128.926   1.4097 16210.86  292.391 16265.51  331.403 16018.89  621.160  129.439   1.3189  128.413   2.4919 1.025146 2.819420 
1 1 1   -2   19    3 o  128.164   1.1129 16003.81  261.537 16119.56  321.522 15777.43  449.644  128.859   1.2854  127.470   1.8172 1.388290 2.225827 
1 1 1   -2   19    4 o  199.236   1.3087 38454.88  498.815 38039.84  650.617 39046.73  776.937  197.940   1.6933  200.531   1.9959 -2.590485 2.617398 
1 1 1   -2   19    5 o   47.262   0.5708  2168.08   52.360  2202.75   74.285  2133.85   73.814   47.638   0.8033   46.887   0.8110 0.7509079 1.141503 
1 1 1   -2   19    6 o  190.586   1.3907 35265.00  514.484 35251.04  723.893 35279.24  731.346  190.548   1.9571  190.624   1.9764 -0.7563782E-01 2.781433 
1 1 1   -2   19    7 o  227.848   1.5193 50389.18  671.848 49637.16  939.816 51175.16  960.804  226.110   2.1412  229.586   2.1559 -3.475800 3.038515 
1 1 1   -2   19    8 o   65.267   0.7549  4133.96   95.613  4166.50  137.117  4103.15  133.396   65.517   1.0781   65.017   1.0569 0.4998932 1.509801 
1 1 1   -2   19    9 o  178.995   1.4745 31051.82  490.543 31295.53  823.992 30918.03  610.519  179.531   2.3644  178.460   1.7624 1.070648 2.948936 
1 1 1   -2   19   10 o  208.823   1.3878 42224.15  556.390 43087.40  856.278 41593.35  731.973  210.661   2.0940  206.985   1.8218 3.675964 2.775507 
1 1 1   -2   19   11 o   33.711   0.6803  1108.59   44.162  1054.18   65.852  1153.06   59.533   32.955   1.0294   34.466   0.8898 -1.511387 1.360665 
1 1 1   -2   19   12 o  169.650   1.1649 28007.38  380.191 28453.84  507.210 27434.85  574.376  171.200   1.5262  168.101   1.7602 3.099640 2.329733 
1 1 1   -2   19   13 o  294.950   1.4801 84292.74  804.979 83898.02  992.575 85051.20  1375.93  293.963   1.7394  295.937   2.3951 -1.973602 2.960117 
1 1 1   -2   19   14 f  240.746   1.3133 56456.55  602.694 57242.98  784.583 55324.45  941.352  242.808   1.6646  238.683   2.0317 4.125168 2.626557 
1 1 1   -2   19   15 o  201.733   1.3034 39551.04  508.518 39855.53  691.407 39192.27  750.532  202.585   1.7582  200.882   1.9247 1.703674 2.606848 
1 1 1   -2   19   16 o  209.491   1.2656 42726.56  503.749 43116.62  650.559 42142.48  796.091  210.705   1.5905  208.278   1.9690 2.427155 2.531200 
1 1 1   -2   19   17 o  152.012   1.1835 22405.89  337.859 22295.49  426.320 22592.33  553.982  151.523   1.4494  152.502   1.8714 -0.9790192 2.367014 
1 1 1   -2   19   18 o  134.579   1.0829 17593.54  273.786 17594.27  346.076 17592.32  447.607  134.596   1.3246  134.561   1.7136 0.3550720E-01 2.165856 
1 1 1   -2   19   19 o   20.370   1.2242  417.514   46.696  485.417   62.022  328.653   70.951   22.354   1.4293   18.386   1.9880 3.967869 2.448471 
1 1 1   -2   19   20 o   45.992   0.7417  2069.32   64.797  2132.60   84.150  1977.15  101.560   46.865   0.9250   45.119   1.1596 1.745766 1.483319 
1 1 1   -2   19   21 o   84.062   0.9362  6888.27  145.968  6942.64  181.771  6789.55  244.940   84.544   1.1076   83.580   1.5097 0.9639282 1.872416 
1 1 1   -2   19   22 o  108.951   1.1090 11439.66  226.398 11167.98  283.516 11917.78  376.112  107.203   1.3624  110.700   1.7503 -3.496704 2.218016 
1 1 1   -2   19   23 o   70.931   0.9101  4821.53  119.397  4673.74  146.842  5109.87  205.106   69.362   1.0906   72.500   1.4574 -3.138496 1.820267 
1 1 1   -2   19   24 o   50.097   0.8565  2439.56   81.668  2440.93  105.603  2437.52  128.817   50.121   1.0854   50.073   1.3253 0.4858780E-01 1.713034 
1 1 1   -2   19   25 o   26.153   1.2897  672.072   64.772  715.201   87.293  619.237   96.617   27.103   1.6592   25.203   1.9749 1.900084 2.579329 
1 1 1   -2   19   26 o   27.849   1.2743  768.557   67.122  822.002   87.562  692.399  104.525   29.058   1.5524   26.641   2.0212 2.417015 2.548556 
1 1 1   -2   19   27 o   84.499   0.9959  6858.72  156.296  6636.68  193.139  7280.02  266.046   82.584   1.2048   86.413   1.5860 -3.828674 1.991730 
1 1 1   -2   19   28 o   27.288   1.3528  727.412   70.590  719.254   91.979  739.102  110.106   27.122   1.7470   27.454   2.0660 -0.3316841 2.705651 
1 1 1   -2   19   29 o   26.928   1.3757  722.104   69.590  754.632   89.124  671.294  111.388   27.761   1.6538   26.095   2.1989 1.665600 2.751454 
1 1 1   -2   19   30 o   26.984   1.3438  713.204   69.621  682.970   91.143  755.558  107.878   26.330   1.7832   27.639   2.0107 -1.308519 2.687549 
1 1 1   -2   19   31 o   18.065   2.0340  329.534   69.113  279.668   90.478  399.391  107.088   16.318   2.9657   19.812   2.7845 -3.494211 4.068020 
1 1 1   -2   19   32 o   15.244   2.5241  254.461   72.150  247.858   92.656  264.633  114.997   15.124   3.2526   15.363   3.8607 -0.2387266 5.048208 
1 1 1   -2   19   33 o   27.805   1.5386  776.266   81.698  738.678  105.409  832.818  129.292   27.063   2.0065   28.547   2.3332 -1.484129 3.077281 
1 1 1   -2   19   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   20    1 o  190.265   1.2942 34974.95  469.678 34239.64  607.028 36071.80  741.388  187.792   1.6652  192.738   1.9816 -4.945923 2.588356 
1 1 1   -2   20    2 o  139.158   1.4809 19215.53  342.305 19616.51  395.125 18009.31  685.309  142.149   1.4319  136.167   2.5927 5.982483 2.961839 
1 1 1   -2   20    3 o  151.603   1.1657 22328.31  335.883 22386.26  433.302 22241.06  531.666  151.854   1.4699  151.352   1.8096 0.5016479 2.331396 
1 1 1   -2   20    4 o  143.227   1.1086 19884.01  301.713 19764.72  388.214 20065.96  479.462  142.689   1.4016  143.766   1.7180 -1.077057 2.217217 
1 1 1   -2   20    5 o  156.661   1.3049 23819.89  396.756 23404.38  555.223 24253.47  567.162  155.265   1.8422  158.056   1.8485 -2.791229 2.609731 
1 1 1   -2   20    6 o   91.377   0.9507  8106.47  168.605  8186.53  236.893  8024.28  240.024   91.835   1.3289   90.920   1.3600 0.9148712 1.901427 
1 1 1   -2   20    7 o   93.498   1.0163  8496.25  184.014  8320.00  268.021  8653.42  253.091   92.579   1.4914   94.417   1.3809 -1.837791 2.032512 
1 1 1   -2   20    8 f  138.206   1.1545 18549.21  308.502 18465.92  456.573 18619.17  418.486  137.920   1.7054  138.493   1.5566 -0.5733643 2.308988 
1 1 1   -2   20    9 o  375.232   1.7889 136588.59  1278.32 137420.00  2016.23 136029.80  1653.03  376.169   2.7612  374.296   2.2751 1.873047 3.577727 
1 1 1   -2   20   10 o  208.935   1.4012 42409.07  563.886 42173.35  850.982 42593.58  752.905  208.413   2.1034  209.457   1.8517 -1.044022 2.802389 
1 1 1   -2   20   11 f  136.777   1.2215 18164.78  323.291 18131.89  476.292 18192.88  440.239  136.661   1.7954  136.893   1.6567 -0.2324371 2.442976 
1 1 1   -2   20   12 o  331.724   1.6188 106948.00  1030.38 106251.10  1579.31 107464.40  1359.61  330.770   2.4597  332.678   2.1053 -1.908478 3.237654 
1 1 1   -2   20   13 o  150.404   1.1403 21938.40  328.198 21819.20  428.912 22106.79  509.779  149.915   1.4739  150.893   1.7404 -0.9771576 2.280625 
1 1 1   -2   20   14 o   67.159   0.7551  4397.36   95.066  4452.78  120.177  4304.69  155.401   67.729   0.9141   66.590   1.2022 1.138680 1.510248 
1 1 1   -2   20   15 o   77.413   0.9450  5818.76  141.727  5817.25  207.036  5820.08  194.423   77.403   1.3779   77.424   1.2936 -0.2064514E-01 1.890006 
1 1 1   -2   20   16 o  173.610   1.3290 29301.26  446.042 29535.47  605.202 29022.76  659.943  174.377   1.7879  172.843   1.9669 1.534027 2.658099 
1 1 1   -2   20   17 o   33.809   0.8629  1099.76   56.291  1200.99   85.534  1022.41   74.763   35.169   1.2529   32.450   1.1869 2.719120 1.725809 
1 1 1   -2   20   18 o  170.482   1.2427 28109.56  398.592 27711.40  503.279 28779.57  652.859  168.894   1.5351  172.069   1.9546 -3.175629 2.485316 
1 1 1   -2   20   19 o   54.916   0.7423  2947.62   77.071  3016.52   99.023  2841.76  122.748   55.738   0.9152   54.093   1.1690 1.645023 1.484622 
1 1 1   -2   20   20 o   20.731   3.9714  431.621   63.799  434.835   64.513  288.864  430.005   21.153   1.5711   20.309   7.7860 0.8441353 7.942897 
1 1 1   -2   20   21 o  177.826   1.5986 30725.05  533.019 30547.36  670.976 31028.99  877.536  177.201   1.9506  178.450   2.5333 -1.249542 3.197261 
1 1 1   -2   20   22 o  102.486   1.0995 10279.52  210.145 10465.06  264.190  9959.92  346.746  103.777   1.3114  101.194   1.7652 2.583153 2.199040 
1 1 1   -2   20   23 o  111.910   1.1199 12219.88  234.907 12337.45  296.702 12022.38  384.544  112.663   1.3567  111.158   1.7821 1.505821 2.239767 
1 1 1   -2   20   24 o   37.504   0.9536  1376.43   68.581  1432.36   91.306  1304.04  103.884   38.389   1.2253   36.618   1.4614 1.770546 1.907110 
1 1 1   -2   20   25 o   36.204   0.9945  1250.97   68.784  1149.12   88.376  1407.48  109.551   34.375   1.3244   38.034   1.4838 -3.659088 1.988931 
1 1 1   -2   20   26 o   79.375   0.9669  6151.40  143.433  6210.24  180.438  6050.41  236.408   79.919   1.1631   78.831   1.5449 1.088455 1.933777 
1 1 1   -2   20   27 o   41.127   1.0060  1658.13   78.858  1704.77  103.051  1592.24  122.496   41.845   1.2687   40.408   1.5617 1.436813 2.012034 
1 1 1   -2   20   28 o   34.367   1.1695  1184.76   75.219  1293.52   97.255  1022.84  118.663   36.418   1.3757   32.315   1.8917 4.103226 2.339023 
1 1 1   -2   20   29 o   17.935   1.9755  310.773   67.581  270.041   86.325  375.261  108.619   16.478   2.6988   19.391   2.8856 -2.913403 3.950925 
1 1 1   -2   20   30 o   40.167   1.0178  1596.18   77.650  1656.72  101.090  1509.06  121.271   41.151   1.2655   39.183   1.5944 1.967800 2.035575 
1 1 1   -2   20   31 o   13.812   2.4750  199.270   66.993  145.778   88.076  272.699  103.193   11.704   3.5598   15.920   3.4397 -4.216078 4.950077 
1 1 1   -2   20   32 o   16.232   2.2737  261.372   71.100  121.155   90.747  484.286  114.420   10.767   3.6466   21.696   2.7168 -10.92886 4.547391 
1 1 1   -2   20   33 o   53.123   1.0320  2801.13  102.969  2811.01  130.367  2784.75  167.891   53.392   1.2578   52.855   1.6364 0.5368195 2.063940 
1 1 1   -2   21    1 o  389.910   1.9271 147656.20  1458.55 148938.00  2066.73 146384.20  2058.71  391.596   2.7188  388.223   2.7318 3.373108 3.854171 
1 1 1   -2   21    2 o  292.096   1.7247 82799.93  968.767 82463.16  1283.95 83245.06  1476.15  291.417   2.2697  292.775   2.5974 -1.357941 3.449323 
1 1 1   -2   21    3 o  436.851   1.9915 185189.30  1686.56 182454.09  2318.45 188263.50  2457.97  433.434   2.7556  440.268   2.8760 -6.833893 3.983044 
1 1 1   -2   21    4 o   64.097   0.6450  3941.29   76.250  3843.05   93.589  4135.25  131.505   62.923   0.7662   65.270   1.0379 -2.347137 1.290092 
1 1 1   -2   21    5 o  371.763   1.9259 134208.09  1389.55 134080.41  1945.40 134341.20  1985.46  371.584   2.6970  371.942   2.7499 -0.3574524 3.851764 
1 1 1   -2   21    6 o  110.141   1.0973 11776.10  234.610 11794.44  331.898 11757.78  331.681  110.227   1.5511  110.056   1.5525 0.1714783 2.194633 
1 1 1   -2   21    7 o  233.698   1.5280 53010.75  692.986 52439.38  967.328 53613.13  993.246  232.406   2.1442  234.991   2.1774 -2.585480 3.055919 
1 1 1   -2   21    8 o  280.724   1.7622 76383.70  948.111 75663.09  1242.88 77386.69  1466.32  279.152   2.2936  282.295   2.6758 -3.142151 3.524318 
1 1 1   -2   21    9 o  213.627   1.4143 44293.74  581.135 44414.62  884.146 44201.79  771.100  213.879   2.1296  213.375   1.8617 0.5041504 2.828576 
1 1 1   -2   21   10 o   44.468   0.6404  1912.48   55.158  2021.96   81.387  1819.47   75.013   45.641   0.9186   43.295   0.8925 2.345470 1.280820 
1 1 1   -2   21   11 o  316.173   1.6017 97089.55  970.803 96963.84  1495.17 97181.18  1276.46  315.984   2.4376  316.362   2.0785 -0.3782654 3.203469 
1 1 1   -2   21   12 f   41.700   0.7446  1691.52   59.869  1655.31   89.505  1720.84   80.537   41.295   1.1166   42.105   0.9854 -0.8100014 1.489189 
1 1 1   -2   21   13 o  270.117   1.3884 70792.97  725.569 70135.60  984.655 71573.98  1073.28  268.752   1.8874  271.483   2.0366 -2.731537 2.776706 
1 1 1   -2   21   14 f   75.022   0.7958  5415.73  112.062  5280.90  140.648  5650.12  185.441   73.757   0.9823   76.288   1.2522 -2.531143 1.591563 
1 1 1   -2   21   15 o  285.228   1.3918 78905.99  756.140 78388.27  977.497 79677.34  1193.14  284.088   1.7725  286.367   2.1464 -2.278778 2.783666 
1 1 1   -2   21   16 o  119.242   1.0269 13816.84  230.164 13845.53  291.315 13769.18  375.475  119.414   1.2567  119.070   1.6245 0.3445511 2.053850 
1 1 1   -2   21   17 o   97.454   1.0350  9223.86  195.715  9219.66  272.841  9228.32  280.902   97.432   1.4426   97.476   1.4845 -0.4395294E-01 2.069998 
1 1 1   -2   21   18 o  129.686   1.0922 16434.78  267.072 16753.31  341.245 15931.24  429.049  131.333   1.3385  128.039   1.7262 3.293991 2.184390 
1 1 1   -2   21   19 o   34.352   0.8210  1132.57   53.949  1071.87   69.775  1222.79   85.070   33.223   1.0819   35.481   1.2351 -2.258934 1.641979 
1 1 1   -2   21   20 o   51.311   0.7648  2532.58   74.344  2449.97   94.560  2666.30  120.307   50.229   0.9698   52.393   1.1829 -2.164204 1.529645 
1 1 1   -2   21   21 o  102.578   1.0498 10240.91  201.213 10279.30  252.644 10174.30  332.733  102.861   1.2653  102.296   1.6756 0.5648804 2.099682 
1 1 1   -2   21   22 o   49.951   0.9836  2438.49   92.863  2364.18  148.224  2486.50  119.145   49.313   1.5484   50.589   1.2133 -1.275936 1.967150 
1 1 1   -2   21   23 o   35.521   0.9499  1233.31   64.700  1274.75   85.933  1179.08   98.308   36.218   1.2223   34.824   1.4543 1.394466 1.899701 
1 1 1   -2   21   24 o   57.494   0.8523  3217.33   93.084  3235.23  120.048  3190.34  147.405   57.703   1.0717   57.285   1.3256 0.4180222 1.704632 
1 1 1   -2   21   25 o   73.662   0.9057  5323.32  126.239  5501.36  162.905  5055.71  199.727   75.234   1.1155   72.091   1.4272 3.143486 1.811417 
1 1 1   -2   21   26 o   17.505   1.9348  298.435   62.801  221.105   82.990  402.056   96.067   14.741   3.0021   20.269   2.4416 -5.527797 3.869637 
1 1 1   -2   21   27 o   80.377   0.9930  6324.37  149.018  6402.53  187.378  6189.88  245.808   81.101   1.1902   79.652   1.5898 1.448761 1.985939 
1 1 1   -2   21   28 o   40.389   1.0511  1581.50   81.054  1532.73  104.780  1654.17  127.903   39.638   1.3618   41.139   1.6016 -1.500484 2.102287 
1 1 1   -2   21   29 o   18.995   1.8580  351.864   67.826  298.802   89.251  424.397  104.349   17.329   2.6533   20.662   2.6017 -3.333019 3.715980 
1 1 1   -2   21   30 o   19.223   1.8262  376.472   66.987  411.509   89.909  332.756  100.430   20.315   2.2799   18.132   2.8534 2.183201 3.652406 
1 1 1   -2   21   31 o   30.032   1.2558  901.721   72.196  957.318   96.437  830.829  108.897   31.153   1.5947   28.911   1.9404 2.242197 2.511614 
1 1 1   -2   21   32 o   20.231   1.8911  419.139   73.589  406.069   97.132  436.750  112.747   19.931   2.5105   20.531   2.8289 -0.5999527 3.782259 
1 1 1   -2   21   33 o   24.897   1.6814  636.239   80.367  629.001  105.969  646.038  123.304   24.833   2.1983   24.962   2.5447 -0.1293507 3.362712 
1 1 1   -2   22    1 o  300.669   1.6402 87767.45  957.115 87235.35  1337.98 88325.07  1369.71  299.737   2.2996  301.601   2.3395 -1.864136 3.280457 
1 1 1   -2   22    2 o  240.088   1.5921 55820.51  706.765 55486.75  873.874 56451.69  1201.73  239.067   1.8831  241.109   2.5676 -2.042023 3.184110 
1 1 1   -2   22    3 o  446.462   2.0158 193462.41  1745.23 191133.59  2408.15 196038.50  2532.83  443.639   2.7963  449.285   2.9041 -5.646393 4.031570 
1 1 1   -2   22    4 o  275.542   1.6504 73955.55  859.664 74787.46  1100.66 72654.20  1376.61  277.547   2.0429  273.537   2.5926 4.010040 3.300746 
1 1 1   -2   22    5 f  136.008   1.1750 17956.81  310.215 17907.55  436.751 18006.96  440.696  135.820   1.6566  136.196   1.6669 -0.3762817 2.350048 
1 1 1   -2   22    6 o  310.313   1.8785 93462.02  1131.01 92222.16  1571.10 94795.73  1629.47  308.179   2.6262  312.447   2.6866 -4.267273 3.757001 
1 1 1   -2   22    7 o   19.267   0.6275  360.192   23.409  395.995   33.571  326.311   32.658   20.198   0.8562   18.335   0.9176 1.863153 1.255004 
1 1 1   -2   22    8 o  347.575   1.8196 117409.40  1222.38 118361.70  1657.19 116273.00  1810.37  349.130   2.4452  346.019   2.6953 3.111420 3.639178 
1 1 1   -2   22    9 o  371.645   1.8029 134316.80  1278.63 133082.70  1996.09 135175.50  1665.09  370.178   2.7778  373.113   2.2990 -2.935364 3.605760 
1 1 1   -2   22   10 o   73.200   0.8680  5196.52  123.148  5281.88  179.915  5121.27  168.919   73.764   1.2565   72.635   1.1980 1.129662 1.736095 
1 1 1   -2   22   11 o   96.273   1.0603  8998.28  197.925  8988.31  286.677  9007.37  273.598   96.222   1.5348   96.325   1.4632 -0.1029510 2.120531 
1 1 1   -2   22   12 o  108.108   1.1190 11333.59  234.698 10891.96  325.672 11810.78  338.527  105.919   1.5839  110.296   1.5811 -4.377144 2.238050 
1 1 1   -2   22   13 o   57.824   1.6178  3625.85  103.982  3719.98  109.797  2807.13  323.817   61.905   0.9137   53.743   3.1039 8.161812 3.235597 
1 1 1   -2   22   14 o  123.894   1.0517 14922.30  248.007 14996.24  321.061 14812.91  390.524  124.280   1.3308  123.508   1.6289 0.7721786 2.103409 
1 1 1   -2   22   15 o  133.677   1.1293 17357.38  288.093 17370.24  374.695 17338.79  450.566  133.745   1.4432  133.609   1.7372 0.1359863 2.258513 
1 1 1   -2   22   16 f   81.548   0.8323  6502.19  127.587  6645.50  162.350  6270.72  206.321   82.735   1.0109   80.361   1.3226 2.374023 1.664679 
1 1 1   -2   22   17 o  144.546   1.1397 20354.36  310.838 20544.48  396.547 20051.37  500.595  145.440   1.4046  143.653   1.7952 1.786850 2.279366 
1 1 1   -2   22   18 o   88.641   1.0250  7626.66  176.305  7376.50  245.310  7893.92  253.560   87.139   1.4502   90.144   1.4490 -3.004410 2.050096 
1 1 1   -2   22   19 o   86.112   0.9126  7141.48  145.803  6998.45  180.411  7410.81  247.568   84.890   1.0948   87.335   1.4603 -2.445137 1.825127 
1 1 1   -2   22   20 o   85.917   0.9025  7185.42  145.888  7228.89  185.119  7114.18  236.991   86.271   1.1054   85.563   1.4269 0.7076187 1.804956 
1 1 1   -2   22   21 o   99.714   1.0169  9651.66  189.714  9620.45  238.232  9705.77  313.657   99.511   1.2333   99.916   1.6172 -0.4056244 2.033767 
1 1 1   -2   22   22 o   35.509   0.8732  1226.84   59.489  1236.38   78.543  1214.01   91.108   35.674   1.1342   35.344   1.3279 0.3303261 1.746366 
1 1 1   -2   22   23 o   82.001   0.9551  6514.58  146.205  6456.23  182.783  6618.23  243.613   81.511   1.1552   82.491   1.5213 -0.9804230 1.910228 
1 1 1   -2   22   24 o   23.945   1.4568  563.724   66.946  521.198  100.243  597.961   89.945   23.114   2.2342   24.777   1.8701 -1.662590 2.913555 
1 1 1   -2   22   25 o   96.115   1.0698  8846.44  189.541  8547.60  232.110  9444.59  328.379   93.755   1.2754   98.476   1.7178 -4.720863 2.139516 
1 1 1   -2   22   26 o   22.567   1.5092  496.023   65.974  453.797   90.645  543.589   96.205   21.547   2.1672   23.588   2.1011 -2.040537 3.018481 
1 1 1   -2   22   27 o   15.053   2.3696  231.797   67.059  217.193   89.153  250.824  101.763   14.521   3.2446   15.585   3.4544 -1.064637 4.739212 
1 1 1   -2   22   28 o   15.149   2.2849  241.279   65.186  271.807   84.615  196.708  102.239   16.568   2.6310   13.729   3.7364 2.838576 4.569728 
1 1 1   -2   22   29 o   35.145   1.1209  1228.14   74.346  1295.69   96.195  1127.93  117.159   36.407   1.3611   33.883   1.7812 2.523930 2.241765 
1 1 1   -2   22   30 o   13.430   2.4410  197.374   64.924  234.658   86.922  150.325   97.643   14.906   3.1049   11.955   3.7675 2.950775 4.882092 
1 1 1   -2   22   31 o   29.905   1.2809  900.334   72.943  974.565   96.975  803.617  110.694   31.420   1.5900   28.390   2.0086 3.030340 2.561759 
1 1 1   -2   22   32 o   9.1298   2.5741   56.363   70.876   95.296   94.861   7.1649  106.636   9.9979   3.6945   8.2617   3.5855 1.736165 5.148297 
1 1 1   -2   22   33 o   31.747   1.3337  1018.60   81.232  1030.20  107.496  1003.16  124.030   32.055   1.7275   31.439   2.0323 0.6157169 2.667333 
1 1 1   -2   23    1 o  132.012   1.1015 16908.15  275.160 16876.07  351.707 16958.77  441.788  131.853   1.3741  132.171   1.7219 -0.3179016 2.203000 
1 1 1   -2   23    2 o   96.538   1.4375  9090.66  189.218  9108.05  204.631  8988.11  496.970   96.868   1.0882   96.209   2.6610 0.6584549 2.874949 
1 1 1   -2   23    3 o   70.291   0.6945  4803.71   90.931  4824.13  113.725  4767.50  151.408   70.499   0.8310   70.083   1.1129 0.4162216 1.388965 
1 1 1   -2   23    4 o  375.817   1.9414 137155.41  1416.15 137602.70  1990.30 136696.80  2015.42  376.439   2.7237  375.195   2.7672 1.244049 3.882789 
1 1 1   -2   23    5 o  159.842   1.4209 24819.90  436.734 24689.90  663.958 24919.04  579.825  159.469   2.1449  160.214   1.8644 -0.7441254 2.841881 
1 1 1   -2   23    6 o   95.469   1.0035  8863.66  185.541  8563.75  268.944  9136.03  256.301   93.925   1.4751   97.014   1.3610 -3.088654 2.007019 
1 1 1   -2   23    7 o   97.954   1.0036  9295.11  190.588  8956.78  261.460  9678.70  278.400   96.056   1.4022   99.852   1.4363 -3.795685 2.007283 
1 1 1   -2   23    8 o   84.242   0.9241  6887.06  151.086  6798.60  211.173  6979.82  216.255   83.688   1.2999   84.796   1.3138 -1.107910 1.848182 
1 1 1   -2   23    9 o  248.475   1.4891 59927.69  710.536 60069.83  1088.03 59821.99  938.231  248.725   2.2535  248.225   1.9471 0.5005493 2.978184 
1 1 1   -2   23   10 f  226.813   1.4560 49964.93  634.784 49855.17  967.167 50047.99  841.362  226.588   2.1989  227.039   1.9091 -0.4506836 2.911960 
1 1 1   -2   23   11 o  191.882   1.4110 35868.64  521.188 34763.13  782.759 36749.08  698.550  189.212   2.1312  194.552   1.8497 -5.339966 2.821905 
1 1 1   -2   23   12 o   62.529   0.8011  3798.17   97.057  3748.96  141.146  3842.31  133.676   62.144   1.1700   62.914   1.0946 -0.7696342 1.602214 
1 1 1   -2   23   13 o  309.096   1.4598 92785.27  874.062 92701.98  1197.79 92880.15  1278.36  308.954   1.9972  309.237   2.1296 -0.2837219 2.919586 
1 1 1   -2   23   14 o   96.556   0.9155  9032.11  166.697  8968.59  211.593  9136.05  270.653   96.113   1.1341   96.998   1.4374 -0.8849411 1.830946 
1 1 1   -2   23   15 o   46.831   0.6826  2113.52   61.150  2041.86   79.367  2218.20   95.925   45.862   0.8915   47.800   1.0338 -1.937813 1.365112 
1 1 1   -2   23   16 o  147.317   1.1817 21000.77  331.915 20668.85  429.093 21495.23  523.720  145.883   1.5152  148.751   1.8137 -2.867615 2.363389 
1 1 1   -2   23   17 o   63.855   0.7605  3913.00   90.689  3795.65  112.896  4126.47  152.271   62.525   0.9302   65.185   1.2034 -2.660530 1.520961 
1 1 1   -2   23   18 o   44.912   0.7363  1936.83   63.433  1825.86   82.624  2096.14   98.994   43.363   0.9816   46.460   1.0977 -3.096294 1.472518 
1 1 1   -2   23   19 o  149.550   1.4341 21763.50  415.653 21982.80  573.370 21520.60  603.425  150.353   1.9645  148.746   2.0898 1.607544 2.868235 
1 1 1   -2   23   20 o  135.288   1.2295 17891.05  314.522 18226.77  403.714 17372.61  501.681  136.941   1.5187  133.636   1.9339 3.305298 2.458976 
1 1 1   -2   23   21 o   40.393   0.8096  1560.65   62.724  1438.31   81.472  1738.68   98.284   38.480   1.0907   42.305   1.1968 -3.824253 1.619261 
1 1 1   -2   23   22 o   77.213   0.9053  5819.08  130.923  5892.56  165.318  5695.46  214.420   77.882   1.0935   76.543   1.4431 1.339165 1.810588 
1 1 1   -2   23   23 o   59.927   0.8392  3509.54   95.819  3596.81  125.001  3385.20  149.208   60.843   1.0584   59.011   1.3026 1.832756 1.678325 
1 1 1   -2   23   24 o   49.961   0.8677  2432.14   82.636  2455.77  107.445  2397.92  129.296   50.267   1.1011   49.655   1.3414 0.6118507 1.735455 
1 1 1   -2   23   25 o   57.620   0.8654  3235.62   94.976  3266.79  123.277  3190.10  148.975   57.973   1.0955   57.267   1.3401 0.7054443 1.730873 
1 1 1   -2   23   26 o   28.567   1.2857  778.952   70.292  622.927   92.601  991.087  107.976   25.260   1.8885   31.875   1.7451 -6.615370 2.571335 
1 1 1   -2   23   27 o   23.231   1.5296  552.284   65.918  647.285   86.817  422.958  101.294   25.736   1.7378   20.726   2.5177 5.009855 3.059165 
1 1 1   -2   23   28 o   31.319   1.1691  943.992   70.129  867.958   90.714  1056.93  110.560   29.791   1.5686   32.848   1.7339 -3.056139 2.338175 
1 1 1   -2   23   29 o   38.509   1.0206  1433.69   75.190  1350.94   97.235  1556.76  118.586   37.166   1.3478   39.852   1.5329 -2.686295 2.041143 
1 1 1   -2   23   30 o   16.775   2.1270  294.517   67.046  314.988   90.812  269.990   99.404   17.647   2.6510   15.903   3.3270 1.743888 4.254026 
1 1 1   -2   23   31 o   42.666   1.0220  1792.61   83.908  1787.96  111.525  1798.69  127.374   42.644   1.3473   42.689   1.5371 -0.4514694E-01 2.043967 
1 1 1   -2   23   32 o   14.957   2.2596  257.549   75.899  457.309  103.995   29.871  111.025   21.099   2.5392   8.8156   3.7384 12.28326 4.519200 
1 1 1   -2   23   33 o   9.5146   2.8547   45.534   89.800   88.683  143.538   17.783  115.110   10.482   4.3336   8.5469   3.7172 1.935375 5.709420 
1 1 1   -2   24    1 o   22.054   0.6256  462.514   23.089  453.509   26.478  491.090   47.169   21.616   0.6310   22.493   1.0803 -0.8772430 1.251110 
1 1 1   -2   24    2 o  361.027   1.9303 126540.30  1352.24 125692.80  1882.49 127443.70  1943.68  359.781   2.6954  362.274   2.7639 -2.493011 3.860647 
1 1 1   -2   24    3 o  154.981   1.2065 23414.96  355.885 23832.97  462.251 22806.56  557.666  156.689   1.5198  153.272   1.8743 3.417068 2.413039 
1 1 1   -2   24    4 o  337.066   1.8484 110140.30  1198.60 108989.30  1588.32 111662.80  1826.72  335.034   2.4422  339.098   2.7751 -4.064697 3.696720 
1 1 1   -2   24    5 o  107.232   1.0632 11162.65  221.298 11226.79  312.618 11098.22  313.308  107.541   1.4975  106.924   1.5095 0.6177292 2.126301 
1 1 1   -2   24    6 o  166.934   1.3499 27054.28  437.402 27009.89  615.097 27099.68  622.121  166.795   1.8997  167.072   1.9183 -0.2765656 2.699763 
1 1 1   -2   24    7 f  149.244   1.2881 21620.69  372.991 21518.21  518.697 21730.43  536.742  148.878   1.7948  149.609   1.8482 -0.7311859 2.576253 
1 1 1   -2   24    8 o  166.159   1.3658 26797.27  440.342 26568.66  612.508 27041.81  633.499  165.426   1.9074  166.891   1.9555 -1.465271 2.731663 
1 1 1   -2   24    9 o   94.460   1.0012  8660.16  183.566  8765.77  262.131  8558.54  257.143   95.025   1.4211   93.895   1.4108 1.129807 2.002456 
1 1 1   -2   24   10 o   52.106   0.7138  2632.08   72.095  2695.03  105.248  2576.43   98.958   52.692   1.0290   51.520   0.9895 1.172188 1.427549 
1 1 1   -2   24   11 o   34.039   0.7311  1123.40   48.263  1152.39   70.137  1097.33   66.515   34.455   1.0486   33.622   1.0191 0.8331680 1.462286 
1 1 1   -2   24   12 o  115.678   1.1485 12998.15  257.416 12899.39  374.966 13086.19  354.019  115.261   1.6759  116.095   1.5709 -0.8342667 2.297013 
1 1 1   -2   24   13 o  136.757   1.2372 18167.43  327.429 18098.56  481.786 18226.55  446.350  136.513   1.8181  137.001   1.6784 -0.4878845 2.474332 
1 1 1   -2   24   14 o  200.835   1.2892 39204.31  499.092 39395.91  668.394 38962.86  750.338  201.400   1.7097  200.271   1.9301 1.128891 2.578394 
1 1 1   -2   24   15 f   24.682   0.9494  591.565   45.427  592.231   62.667  590.827   65.944   24.697   1.3072   24.667   1.3772 0.2985573E-01 1.898780 
1 1 1   -2   24   16 o  108.062   1.4985 11516.64  240.085 11610.36  265.261 11092.06  564.608  109.345   1.2497  106.779   2.7239 2.566170 2.996930 
1 1 1   -2   24   17 o  179.663   1.3278 31432.06  458.113 31775.26  606.870 30977.43  698.488  180.825   1.7289  178.501   2.0158 2.324036 2.655682 
1 1 1   -2   24   18 f   58.104   0.7452  3280.67   82.303  3289.41  106.205  3267.55  130.219   58.204   0.9400   58.004   1.1565 0.1998978 1.490346 
1 1 1   -2   24   19 o   44.338   0.7874  1897.08   66.966  1834.21   87.526  1985.83  103.998   43.460   1.0375   45.216   1.1849 -1.756756 1.574887 
1 1 1   -2   24   20 o  178.835   2.1886 31223.77  759.782 31087.05  1072.68 31361.41  1076.32  178.442   3.0968  179.229   3.0936 -0.7867737 4.377263 
1 1 1   -2   24   21 o   35.100   0.8973  1221.99   59.397  1323.40   77.432  1077.03   92.583   36.911   1.0807   33.288   1.4328 3.622536 1.794632 
1 1 1   -2   24   22 o   64.323   0.8427  3965.20  101.365  3823.60  126.259  4221.96  170.018   62.739   1.0367   65.908   1.3289 -3.169388 1.685452 
1 1 1   -2   24   23 o   91.146   1.0252  8088.63  174.212  8114.21  218.089  8043.52  289.588   91.370   1.2296   90.921   1.6408 0.4483795 2.050384 
1 1 1   -2   24   24 o   27.146   1.1664  715.391   61.289  643.409   84.476  795.391   89.057   25.706   1.6929   28.585   1.6049 -2.879868 2.332784 
1 1 1   -2   24   25 o   58.774   0.8858  3395.41   99.268  3577.72  130.855  3148.25  152.357   60.665   1.1112   56.883   1.3798 3.781967 1.771590 
1 1 1   -2   24   26 o   80.981   0.9729  6408.89  148.144  6477.08  188.041  6297.32  240.534   81.586   1.1873   80.375   1.5417 1.210701 1.945887 
1 1 1   -2   24   27 o   51.190   0.8949  2537.45   86.674  2484.50  110.271  2623.03  140.198   50.517   1.1245   51.864   1.3926 -1.346893 1.789895 
1 1 1   -2   24   28 o   21.729   1.6050  471.222   66.865  516.027   90.821  418.194   98.804   22.904   2.0427   20.555   2.4763 2.349203 3.210074 
1 1 1   -2   24   29 o   25.714   1.3528  654.366   67.331  690.492   93.660  615.728   96.862   26.470   1.8228   24.957   1.9994 1.512386 2.705554 
1 1 1   -2   24   30 o   22.139   1.6032  492.672   68.336  506.510   91.836  475.503  102.289   22.537   2.0992   21.740   2.4238 0.7971859 3.206463 
1 1 1   -2   24   31 o   8.7855   2.5149   42.854   68.103   77.750   94.518   5.1776   98.213   9.5768   3.6554   7.9942   3.4551 1.582644 5.029877 
1 1 1   -2   24   32 o   6.4015   2.1492 -103.7022   72.290 -83.3367   97.609 -128.4440  107.586   6.4660   3.0399   6.3370   3.0389 0.1289444 4.298394 
1 1 1   -2   24   33 o   14.943   2.9398  273.141   88.304  256.406  135.041  285.643  116.716   14.359   4.4154   15.527   3.8826 -1.167723 5.879674 
1 1 1   -2   25    1 o  116.113   0.9818 13009.19  214.641 12774.58  271.049 13403.72  351.487  114.719   1.2172  117.506   1.5409 -2.787506 1.963656 
1 1 1   -2   25    2 o  119.613   1.8158 13881.72  421.361 13584.06  584.083 14204.75  608.452  118.278   2.5439  120.949   2.5916 -2.671013 3.631499 
1 1 1   -2   25    3 o   44.775   0.6107  1941.18   53.013  1844.49   72.847  2050.03   77.294   43.592   0.8609   45.957   0.8664 -2.364677 1.221385 
1 1 1   -2   25    4 o  286.547   1.5787 79607.20  871.218 78814.60  1158.66 80638.25  1321.51  284.915   2.0950  288.180   2.3623 -3.264709 3.157454 
1 1 1   -2   25    5 o  289.293   1.5842 81117.57  882.107 80187.83  1170.38 82340.27  1342.16  287.384   2.0980  291.202   2.3744 -3.817688 3.168445 
1 1 1   -2   25    6 o  158.968   1.3464 24502.17  415.169 23703.40  573.753 25380.07  601.505  156.252   1.8916  161.684   1.9165 -5.431259 2.692800 
1 1 1   -2   25    7 o  269.955   1.6435 70764.48  861.181 70896.92  1211.39 70629.15  1224.51  270.211   2.3095  269.699   2.3389 0.5122070 3.286988 
1 1 1   -2   25    8 o  166.302   1.4230 26849.65  459.289 26711.08  642.331 26994.61  656.984  165.864   1.9950  166.741   2.0298 -0.8769379 2.846048 
1 1 1   -2   25    9 o  141.106   1.2667 19329.14  346.923 19193.40  486.728 19469.32  494.613  140.602   1.7833  141.609   1.7993 -1.006653 2.533336 
1 1 1   -2   25   10 o  225.479   1.4781 49290.93  640.796 49910.93  978.912 48826.06  847.643  226.711   2.2244  224.246   1.9473 2.464386 2.956281 
1 1 1   -2   25   11 o   80.421   0.8911  6282.73  139.018  6115.46  198.479  6443.80  194.776   79.369   1.2882   81.472   1.2316 -2.103554 1.782232 
1 1 1   -2   25   12 o  185.153   1.4020 33285.71  500.878 33367.32  751.138 33220.36  672.127  185.352   2.0877  184.955   1.8721 0.3963928 2.804086 
1 1 1   -2   25   13 o   55.497   0.7902  2982.11   84.797  3077.35  126.370  2904.11  114.368   56.300   1.1563   54.693   1.0772 1.606606 1.580328 
1 1 1   -2   25   14 o  102.629   1.0977 10228.69  218.657 10058.96  308.550 10399.92  309.911  101.773   1.5618  103.484   1.5428 -1.711227 2.195303 
1 1 1   -2   25   15 o   66.072   0.7604  4197.90   94.665  4076.48  119.407  4403.33  155.319   64.800   0.9493   67.343   1.1881 -2.543266 1.520782 
1 1 1   -2   25   16 o  133.545   1.1319 17372.95  287.844 17575.51  373.675 17077.36  451.397  134.517   1.4310  132.573   1.7540 1.944412 2.263744 
1 1 1   -2   25   17 o   70.501   1.7429  5227.64  138.281  5324.70  145.907  4371.30  433.404   74.052   1.0150   66.951   3.3348 7.100288 3.485848 
1 1 1   -2   25   18 o   10.431   2.1408  106.809   45.965   91.142   62.359  125.448   68.018   9.6950   3.0037   11.167   3.0511 -1.471915 4.281536 
1 1 1   -2   25   19 o  118.826   1.1112 13748.44  252.673 13873.11  331.428 13575.42  390.451  119.485   1.4289  118.167   1.7022 1.318161 2.222448 
1 1 1   -2   25   20 o   34.963   0.9024  1206.57   59.721  1286.05   77.895  1093.23   93.021   36.387   1.1028   33.540   1.4288 2.847103 1.804856 
1 1 1   -2   25   21 o   83.194   1.0403  6727.01  167.962  6768.92  240.602  6687.17  234.580   83.445   1.4854   82.942   1.4570 0.5030365 2.080635 
1 1 1   -2   25   22 o   90.237   0.9728  7957.99  164.959  8088.93  209.518  7744.45  267.559   91.237   1.1830   89.237   1.5446 2.000771 1.945563 
1 1 1   -2   25   23 o   66.411   0.8790  4313.58  110.654  4416.61  142.868  4159.10  174.932   67.419   1.0917   65.402   1.3779 2.016815 1.757919 
1 1 1   -2   25   24 o   41.934   0.8849  1703.44   71.435  1663.15   94.587  1756.93  108.986   41.363   1.1780   42.505   1.3209 -1.141708 1.769891 
1 1 1   -2   25   25 o   52.333   1.0945  2682.88  108.127  2596.05  173.037  2738.50  138.496   51.613   1.7271   53.052   1.3448 -1.439426 2.188932 
1 1 1   -2   25   26 o   48.228   0.9290  2215.23   84.686  2060.73  106.592  2479.67  139.450   46.012   1.1934   50.443   1.4241 -4.430424 1.858058 
1 1 1   -2   25   27 o   42.037   0.9678  1727.77   78.355  1759.22  104.993  1688.24  117.718   42.484   1.2731   41.590   1.4581 0.8932228 1.935692 
1 1 1   -2   25   28 o   35.471   1.0590  1228.58   72.413  1214.25   96.616  1246.96  109.383   35.250   1.4119   35.692   1.5788 -0.4414673 2.118040 
1 1 1   -2   25   29 o   28.571   1.2362  802.153   68.414  772.509   93.180  836.822  100.769   28.008   1.7139   29.133   1.7818 -1.125570 2.472312 
1 1 1   -2   25   30 o   56.927   0.9299  3156.21  100.347  3075.31  127.999  3285.23  161.639   56.048   1.1765   57.806   1.4405 -1.757912 1.859866 
1 1 1   -2   25   31 o   22.971   1.6002  528.674   71.057  478.196   95.616  590.935  106.192   21.756   2.2641   24.186   2.2619 -2.429895 3.200354 
1 1 1   -2   25   32 o   15.714   2.5309  281.417   75.586  314.513  102.833  242.521  111.479   16.932   3.2468   14.497   3.8834 2.435001 5.061859 
1 1 1   -2   25   33 o   12.275   3.0693  179.815   91.722  154.341  143.173  197.548  119.454   11.750   4.4955   12.801   4.1800 -1.050920 6.138553 
1 1 1   -2   26    1 o  189.202   1.3462 34651.16  485.952 34208.92  629.622 35302.77  764.261  187.717   1.7279  190.686   2.0647 -2.968582 2.692309 
1 1 1   -2   26    2 o  183.568   1.5501 32615.84  501.737 32474.68  595.213 32962.41  932.623  182.898   1.6765  184.239   2.6077 -1.340775 3.100119 
1 1 1   -2   26    3 o  410.945   2.0101 163996.50  1603.04 163446.80  2239.16 164574.50  2295.99  410.241   2.8118  411.648   2.8733 -1.407257 4.020181 
1 1 1   -2   26    4 o  345.202   1.8583 115648.80  1236.32 115113.90  1650.79 116332.10  1865.73  344.305   2.4699  346.100   2.7770 -1.795288 3.716511 
1 1 1   -2   26    5 o  316.888   1.6506 97282.80  1007.24 95788.59  1337.50 99240.45  1530.93  314.092   2.1937  319.685   2.4670 -5.593140 3.301251 
1 1 1   -2   26    6 o  329.957   1.7558 105728.90  1124.55 106555.30  1585.11 104891.60  1595.64  331.256   2.4651  328.658   2.5011 2.598572 3.511685 
1 1 1   -2   26    7 o  178.768   1.4147 31029.95  490.908 31254.12  693.285 30804.54  695.215  179.416   1.9906  178.120   2.0107 1.295715 2.829368 
1 1 1   -2   26    8 o   86.177   0.9593  7208.11  160.456  7355.53  228.402  7064.45  225.464   87.047   1.3517   85.307   1.3615 1.739868 1.918565 
1 1 1   -2   26    9 o  150.250   1.3616 21915.61  396.982 21805.25  553.306 22032.69  569.896  149.861   1.9020  150.639   1.9489 -0.7782440 2.723212 
1 1 1   -2   26   10 o  287.183   1.5914 79909.51  876.011 81276.43  1355.52 78929.21  1147.93  289.273   2.4140  285.092   2.0743 4.180725 3.182746 
1 1 1   -2   26   11 o  195.880   1.4247 37263.42  537.828 37247.20  810.668 37276.17  718.800  195.835   2.1325  195.925   1.8900 -0.8958435E-01 2.849474 
1 1 1   -2   26   12 o   65.525   0.8357  4165.02  106.213  4247.94  153.866  4089.55  146.798   66.148   1.1983   64.903   1.1652 1.244476 1.671384 
1 1 1   -2   26   13 o  310.194   1.6588 93523.02  987.380 93430.98  1515.15 93590.96  1301.75  310.031   2.5176  310.357   2.1607 -0.3260498 3.317687 
1 1 1   -2   26   14 o  209.578   1.3293 42659.41  537.524 42600.71  721.235 42732.76  806.185  209.426   1.7741  209.731   1.9802 -0.3051758 2.658695 
1 1 1   -2   26   15 o  175.622   1.2697 29989.82  427.542 30128.78  562.954 29800.44  657.199  176.116   1.6467  175.127   1.9332 0.9887848 2.539453 
1 1 1   -2   26   16 o   98.545   0.9707  9459.67  180.595  9550.67  230.609  9315.36  290.410   99.169   1.1979   97.922   1.5278 1.246819 1.941448 
1 1 1   -2   26   17 o  165.575   1.2850 26639.96  407.342 26598.69  533.460 26697.66  630.846  165.441   1.6611  165.709   1.9612 -0.2672272 2.570088 
1 1 1   -2   26   18 o   53.986   0.7395  2836.25   76.007  2861.57   98.559  2799.09  119.391   54.286   0.9353   53.685   1.1457 0.6017532 1.478947 
1 1 1   -2   26   19 o   82.463   0.9028  6543.84  139.193  6380.05  173.745  6837.31  232.572   81.046   1.1044   83.880   1.4284 -2.833214 1.805502 
1 1 1   -2   26   20 o   67.950   0.8229  4496.15  105.844  4534.69  135.733  4436.34  169.071   68.330   1.0233   67.571   1.2890 0.7585602 1.645791 
1 1 1   -2   26   21 o   45.671   0.7919  2023.54   69.073  2010.76   89.815  2042.05  108.064   45.498   1.0169   45.844   1.2143 -0.3451767 1.583899 
1 1 1   -2   26   22 o   21.968   1.3395  469.048   57.021  431.548   78.944  509.953   82.450   21.050   1.9320   22.886   1.8559 -1.835487 2.678983 
1 1 1   -2   26   23 f   63.187   0.8481  3878.03  101.966  3865.66  131.650  3896.58  161.199   63.071   1.0753   63.304   1.3118 -0.2328300 1.696196 
1 1 1   -2   26   24 o   79.665   0.9557  6214.51  143.631  6356.60  183.870  5992.08  230.052   80.862   1.1714   78.468   1.5103 2.394478 1.911341 
1 1 1   -2   26   25 o  123.717   1.2507 14986.94  290.098 15169.59  366.825 14681.97  473.995  124.804   1.5141  122.629   1.9912 2.174553 2.501495 
1 1 1   -2   26   26 o  103.197   1.1198 10391.99  216.063 10393.49  271.359 10389.39  357.129  103.281   1.3535  103.113   1.7842 0.1678238 2.239509 
1 1 1   -2   26   27 o   42.494   0.9776  1766.44   79.429  1788.02  104.084  1736.35  122.907   42.826   1.2520   42.161   1.5017 0.6643143 1.955202 
1 1 1   -2   26   28 o   13.036   2.4630  176.636   63.638  152.288   86.696  205.083   93.709   12.107   3.4946   13.965   3.4718 -1.858037 4.925970 
1 1 1   -2   26   29 o   13.975   2.3900  203.067   64.761  148.511   86.207  273.737   98.115   11.856   3.5028   16.094   3.2525 -4.237391 4.779990 
1 1 1   -2   26   30 o   18.405   2.1250  352.282   71.887  242.955   97.879  480.321  105.924   14.998   3.4357   21.812   2.5017 -6.813984 4.249983 
1 1 1   -2   26   31 o   46.837   1.0232  2192.14   91.803  2393.27  124.254  1950.37  136.230   49.310   1.2981   44.364   1.5819 4.945473 2.046332 
1 1 1   -2   26   32 o   7.5344   2.3952 -30.9235   73.845 -67.5386  101.333   10.542  107.835   6.7948   3.1625   8.2739   3.5982 -1.479064 4.790453 
1 1 1   -2   27    1 o  227.311   1.4438 50190.49  629.315 50319.11  828.422 50014.98  967.693  227.661   1.8745  226.961   2.1965 0.7006683 2.887618 
1 1 1   -2   27    2 o  299.337   1.7417 86657.25  979.070 85642.21  1233.36 88386.70  1609.92  296.995   2.1393  301.681   2.7491 -4.685974 3.483430 
1 1 1   -2   27    3 o  223.499   1.4270 48374.62  610.838 47756.68  798.616 49245.76  948.233  221.789   1.8550  225.209   2.1690 -3.419983 2.854031 
1 1 1   -2   27    4 o  182.493   1.3041 32239.23  453.037 31864.06  584.232 32805.05  717.489  181.170   1.6612  183.816   2.0108 -2.646225 2.608262 
1 1 1   -2   27    5 o  166.423   1.2724 26865.55  402.239 26776.16  517.534 27001.94  639.259  166.078   1.6053  166.767   1.9747 -0.6898041 2.544896 
1 1 1   -2   27    6 o  149.366   1.3110 21655.26  380.065 22152.96  541.968 21173.68  533.126  151.054   1.8483  147.677   1.8597 3.376709 2.622000 
1 1 1   -2   27    7 o  126.140   1.2004 15448.70  293.918 15539.52  413.726 15356.17  417.627  126.515   1.6846  125.766   1.7106 0.7491226 2.400898 
1 1 1   -2   27    8 o  207.307   1.5274 41725.39  614.520 41511.64  858.677 41949.79  879.834  206.764   2.1394  207.850   2.1806 -1.086624 3.054864 
1 1 1   -2   27    9 o   96.805   1.0527  9083.95  197.644  8773.89  272.563  9427.77  287.018   95.066   1.4770   98.544   1.5004 -3.478371 2.105418 
1 1 1   -2   27   10 o  179.905   1.3834 31429.86  479.279 31432.91  724.913 31427.50  638.825  179.907   2.0757  179.904   1.8293 0.3845215E-02 2.766747 
1 1 1   -2   27   11 o  187.340   1.4431 34027.40  520.091 34528.21  792.885 33649.18  689.039  188.539   2.1664  186.140   1.9069 2.399292 2.886145 
1 1 1   -2   27   12 o  233.655   1.5419 52989.71  692.199 53420.20  1059.34 52668.97  914.411  234.465   2.3275  232.844   2.0231 1.620789 3.083843 
1 1 1   -2   27   13 o  121.755   1.2310 14383.32  290.038 14587.64  428.786 14210.99  393.795  122.548   1.8025  120.962   1.6771 1.586128 2.462023 
1 1 1   -2   27   14 o  253.645   1.5677 62801.91  749.847 63733.70  957.103 61320.96  1206.61  256.131   1.9250  251.159   2.4749 4.972183 3.135391 
1 1 1   -2   27   15 o   98.348   0.9661  9339.35  178.587  9180.88  224.984  9609.27  293.625   97.234   1.1920   99.461   1.5208 -2.227325 1.932270 
1 1 1   -2   27   16 o  100.832   0.9658  9877.76  183.684  9883.78  233.678  9868.03  297.147  100.882   1.1933  100.783   1.5189 0.9920502E-01 1.931547 
1 1 1   -2   27   17 f  107.348   1.0205 11284.25  208.077 11653.99  270.360 10747.02  325.889  109.535   1.2715  105.162   1.5964 4.372101 2.040908 
1 1 1   -2   27   18 f   44.556   0.7576  1941.26   64.808  2030.80   86.705  1827.91   97.556   45.730   0.9767   43.382   1.1585 2.348946 1.515272 
1 1 1   -2   27   19 o   61.325   0.7863  3645.57   91.206  3620.58  116.343  3685.42  146.909   61.058   0.9816   61.592   1.2287 -0.5339546 1.572678 
1 1 1   -2   27   20 o   18.854   1.3429  349.921   48.424  375.484   64.733  317.441   72.969   19.650   1.6971   18.058   2.0816 1.591349 2.685738 
1 1 1   -2   27   21 o   35.361   0.8834  1198.06   60.160  1082.72   79.228  1355.11   92.451   33.380   1.2227   37.342   1.2754 -3.961601 1.766842 
1 1 1   -2   27   22 o   30.038   1.0327  871.140   59.961  809.912   80.423  947.773   89.974   28.859   1.4356   31.217   1.4848 -2.357605 2.065315 
1 1 1   -2   27   23 o   31.548   1.0494  965.264   64.060  931.207   86.617  1006.38   95.175   30.938   1.4423   32.158   1.5246 -1.220140 2.098712 
1 1 1   -2   27   24 f   42.499   0.9275  1749.13   76.138  1684.16  101.951  1831.06  114.487   41.614   1.2621   43.384   1.3594 -1.770138 1.854950 
1 1 1   -2   27   25 o   23.620   1.4035  546.639   64.076  565.671   87.632  524.773   93.929   24.071   1.8754   23.168   2.0885 0.9027100 2.806996 
1 1 1   -2   27   26 o   17.948   2.0365  326.508   68.200  347.912   91.077  299.185  102.901   18.801   2.4956   17.095   3.2190 1.705750 4.073047 
1 1 1   -2   27   27 o   44.601   0.9399  1924.57   80.640  1825.98  106.037  2059.80  124.186   43.269   1.2624   45.932   1.3928 -2.662834 1.879815 
1 1 1   -2   27   28 o   9.0059   2.4867   36.279   66.303 -22.2959   89.671  106.926   98.479   7.2789   3.2192   10.733   3.7909 -3.453970 4.973344 
1 1 1   -2   27   29 o   18.776   1.9182  366.626   66.708  433.897   92.525  293.809   96.264   20.831   2.2882   16.721   3.0792 4.109745 3.836330 
1 1 1   -2   27   30 o   9.5607   2.3665   45.726   67.488  175.962   94.644 -89.0023   96.263   12.706   3.6466   6.4158   3.0172 6.289713 4.732925 
1 1 1   -2   27   31 o   27.467   1.4385  752.558   76.291  655.982  103.183  869.023  113.311   25.516   2.0832   29.419   1.9842 -3.902647 2.876910 
1 1 1   -2   27   32 o   19.681   2.2156  408.206   83.656  474.189  131.127  362.916  108.636   20.937   3.2263   18.424   3.0375 2.512680 4.431199 
1 1 1   -2   28    1 o  275.998   1.5758 73763.30  835.657 72598.77  1101.59 75341.79  1282.53  273.447   2.0753  278.550   2.3719 -5.103333 3.151655 
1 1 1   -2   28    2 o  277.287   1.7190 74761.04  894.326 75050.32  1129.47 74274.83  1464.27  278.024   2.0928  276.550   2.7276 1.473907 3.437971 
1 1 1   -2   28    3 o  179.082   1.5827 31011.93  493.705 30851.80  580.825 31428.85  937.228  178.268   1.6784  179.895   2.6839 -1.627441 3.165486 
1 1 1   -2   28    4 o  233.599   1.4783 52952.84  662.104 52789.93  870.173 53176.84  1020.38  233.179   1.9224  234.019   2.2462 -0.8396149 2.956525 
1 1 1   -2   28    5 o   84.950   0.8256  6959.57  129.986  6854.74  160.807  7157.21  220.794   84.035   0.9858   85.866   1.3247 -1.830872 1.651206 
1 1 1   -2   28    6 o  145.638   1.3077 20591.31  369.680 20348.17  519.834 20840.08  525.831  144.768   1.8498  146.508   1.8489 -1.739441 2.615398 
1 1 1   -2   28    7 o   23.673   0.8334  546.729   38.092  489.651   54.508  601.211   53.254   22.459   1.2503   24.887   1.1023 -2.427744 1.666828 
1 1 1   -2   28    8 o  200.747   1.5196 39134.08  592.113 39106.89  830.808 39162.16  844.099  200.677   2.1327  200.817   2.1653 -0.1401825 3.039293 
1 1 1   -2   28    9 o  118.742   2.0341 13700.93  468.814 13811.23  660.657 13589.05  665.375  119.225   2.8546  118.260   2.8984 0.9648132 4.068132 
1 1 1   -2   28   10 o   99.117   1.0910  9532.84  209.832  9345.56  291.662  9733.77  302.109   98.109   1.5315  100.125   1.5544 -2.016418 2.182075 
1 1 1   -2   28   11 o  200.999   1.4407 39287.58  558.047 38879.16  839.018 39611.61  747.314  200.051   2.1606  201.947   1.9063 -1.896271 2.881346 
1 1 1   -2   28   12 o   44.769   0.7227  1946.40   62.667  1935.98   91.551  1955.58   85.961   44.656   1.0561   44.882   0.9867 -0.2262268 1.445310 
1 1 1   -2   28   13 o  251.351   1.5923 61350.04  769.221 61695.54  1174.87 61090.82  1017.67  251.949   2.4022  250.753   2.0907 1.196289 3.184614 
1 1 1   -2   28   14 o  200.454   1.4394 39047.16  560.080 39139.81  794.720 38955.72  789.451  200.690   2.0400  200.219   2.0312 0.4714813 2.878763 
1 1 1   -2   28   15 o   29.042   0.8568  818.368   48.281  788.948   67.180  849.797   69.436   28.502   1.2142   29.581   1.2092 -1.078802 1.713630 
1 1 1   -2   28   16 o   39.769   0.7515  1536.32   57.569  1540.06   76.864  1531.53   86.883   39.825   0.9943   39.712   1.1271 0.1128845 1.502929 
1 1 1   -2   28   17 f   45.688   0.7315  2028.48   64.335  2038.39   85.750  2015.71   97.309   45.817   0.9641   45.558   1.1003 0.2587852 1.462975 
1 1 1   -2   28   18 o   79.217   0.8786  6097.19  130.925  6099.54  165.845  6093.30  213.293   79.247   1.0781   79.188   1.3876 0.5847931E-01 1.757157 
1 1 1   -2   28   19 o   65.465   0.8197  4127.23  101.113  4018.87  127.617  4309.97  165.729   64.327   1.0220   66.603   1.2819 -2.276344 1.639404 
1 1 1   -2   28   20 o   77.153   0.8811  5811.08  128.816  5913.72  165.918  5655.35  204.385   78.024   1.0955   76.281   1.3803 1.742577 1.762163 
1 1 1   -2   28   21 o   34.381   0.8992  1166.53   59.008  1280.66   79.208  1024.18   88.458   36.305   1.1239   32.457   1.4040 3.847969 1.798410 
1 1 1   -2   28   22 o   73.287   0.8821  5259.69  123.073  5435.91  160.667  5009.46  191.455   74.795   1.1066   71.779   1.3741 3.015831 1.764255 
1 1 1   -2   28   23 o   35.882   0.9991  1260.29   69.036  1330.11   93.617  1177.05  102.213   36.984   1.3040   34.780   1.5140 2.204437 1.998114 
1 1 1   -2   28   24 o   98.111   1.0904  9371.81  200.240  9371.91  251.801  9371.64  330.259   98.152   1.3216   98.069   1.7348 0.8261871E-01 2.180876 
1 1 1   -2   28   25 o   46.549   0.8959  2116.06   79.796  2150.29  104.853  2068.96  123.006   47.010   1.1490   46.088   1.3749 0.9220581 1.791802 
1 1 1   -2   28   26 o   48.440   0.9001  2286.91   83.278  2289.13  108.543  2283.72  129.846   48.485   1.1533   48.394   1.3822 0.9162903E-01 1.800140 
1 1 1   -2   28   27 o   52.074   0.9031  2666.07   89.814  2771.00  118.303  2523.32  137.988   53.320   1.1430   50.828   1.3985 2.491585 1.806188 
1 1 1   -2   28   28 o   20.792   1.6193  429.541   65.323  428.373   90.856  430.790   93.985   20.771   2.2534   20.814   2.3262 -0.4314804E-01 3.238683 
1 1 1   -2   28   29 o   13.099   2.4789  188.628   66.188  236.809   89.543  130.595   98.273   14.910   3.1903   11.289   3.7950 3.620657 4.957778 
1 1 1   -2   28   30 o   38.432   1.0599  1453.78   78.878  1411.05  107.222  1504.19  116.451   37.834   1.4599   39.030   1.5370 -1.196140 2.119872 
1 1 1   -2   28   31 o   11.155   2.7593  132.016   73.655  131.556  103.137  132.495  105.222   11.132   3.8833   11.179   3.9211 -0.4663944E-01 5.518622 
1 1 1   -2   28   32 o   9.7290   2.7987   73.911   84.457   19.802  135.866  107.988  107.820   9.1246   4.0017   10.333   3.9137 -1.208906 5.597382 
1 1 1   -2   29    1 o  255.831   1.5382 63472.34  755.685 63023.32  996.503 64080.04  1159.27  254.775   2.0149  256.887   2.3248 -2.112152 3.076421 
1 1 1   -2   29    2 f   92.077   2.1173  8341.26  188.987  8357.81  195.738  8113.67  725.858   92.791   1.0867   91.363   4.0928 1.428177 4.234574 
1 1 1   -2   29    3 o  149.778   1.4990 20966.95  359.740 20372.29  404.053 23240.70  790.087  144.864   1.4369  154.692   2.6311 -9.827728 2.997899 
1 1 1   -2   29    4 o  224.279   1.4567 48716.94  625.117 48118.70  815.419 49569.72  973.549  222.620   1.8869  225.937   2.2198 -3.316818 2.913370 
1 1 1   -2   29    5 o  122.683   1.0813 14562.20  248.850 14421.67  313.152 14803.01  409.930  121.886   1.3235  123.480   1.7102 -1.594154 2.162529 
1 1 1   -2   29    6 o  109.767   1.1307 11690.23  240.852 11425.06  335.350 11972.73  346.138  108.482   1.5925  111.052   1.6057 -2.569420 2.261457 
1 1 1   -2   29    7 o  136.823   1.2928 18177.23  343.352 18240.75  484.337 18113.06  486.820  137.064   1.8204  136.583   1.8361 0.4810333 2.585575 
1 1 1   -2   29    8 o  208.783   1.5561 42332.00  630.500 42186.94  881.555 42483.91  902.125  208.419   2.1790  209.148   2.2220 -0.7297058 3.112104 
1 1 1   -2   29    9 o  164.112   1.5164 26187.84  478.746 25933.26  725.627 26384.09  637.081  163.398   2.2877  164.827   1.9911 -1.429398 3.032868 
1 1 1   -2   29   10 o   66.345   0.8335  4273.01  107.335  4255.77  150.787  4290.72  152.823   66.209   1.1732   66.480   1.1842 -0.2711411 1.666984 
1 1 1   -2   29   11 o  205.765   1.4892 41150.19  589.867 41025.75  892.952 41246.54  785.699  205.476   2.2387  206.055   1.9643 -0.5794373 2.978320 
1 1 1   -2   29   12 o  153.269   1.3501 22851.18  399.466 22515.49  594.752 23127.08  539.186  152.235   2.0126  154.303   1.8001 -2.068558 2.700168 
1 1 1   -2   29   13 o   86.742   1.0227  7305.05  172.148  7373.80  247.209  7240.33  239.866   87.138   1.4615   86.347   1.4311 0.7912827 2.045445 
1 1 1   -2   29   14 o  106.938   1.1581 11119.33  239.924 10949.07  349.072 11271.80  330.312  106.158   1.6939  107.718   1.5797 -1.560188 2.316200 
1 1 1   -2   29   15 o   76.289   1.6675  6123.91  153.173  6263.44  163.183  5090.02  444.188   80.314   1.0467   72.265   3.1665 8.048874 3.334984 
1 1 1   -2   29   16 o   14.567   1.7154  215.399   45.376  130.103   62.902  307.946   65.521   11.337   2.8588   17.797   1.8966 -6.460176 3.430727 
1 1 1   -2   29   17 o   72.142   0.8191  5071.44  111.869  5131.47  143.621  4978.83  178.383   72.692   1.0178   71.592   1.2836 1.100441 1.638142 
1 1 1   -2   29   18 o   55.731   0.7676  2998.03   81.113  2932.07  103.553  3102.76  130.482   54.947   0.9708   56.516   1.1894 -1.568642 1.535298 
1 1 1   -2   29   19 o   54.832   0.7738  2925.13   81.244  2949.93  106.740  2890.97  125.264   55.112   0.9977   54.551   1.1829 0.5607643 1.547507 
1 1 1   -2   29   20 o   23.066   1.2109  517.049   54.046  511.930   73.380  523.117   79.900   22.943   1.6477   23.188   1.7751 -0.2455750 2.421892 
1 1 1   -2   29   21 o   31.231   0.9665  939.577   58.300  861.393   77.849  1039.42   87.972   29.766   1.3473   32.696   1.3861 -2.929916 1.932979 
1 1 1   -2   29   22 o   32.693   4.9261  1653.10   92.568  1675.36   93.335  315.118  723.685   41.518   1.1581   23.868   9.7839 17.65005 9.852154 
1 1 1   -2   29   23 o   76.518   0.9363  5701.25  135.601  5725.73  173.661  5663.01  217.055   76.746   1.1657   76.290   1.4657 0.4560776 1.872696 
1 1 1   -2   29   24 o   28.813   4.7101  981.019   91.284  988.669   92.374  662.480  596.082   31.865   1.4934   25.761   9.3011 6.104656 9.420202 
1 1 1   -2   29   25 o   18.371   1.8390  331.288   65.478  317.651   89.598  346.919   95.926   17.969   2.5687   18.772   2.6324 -0.8032761 3.677961 
1 1 1   -2   29   26 o   20.076   1.6735  397.603   64.787  402.073   87.082  392.061   96.956   20.220   2.2186   19.931   2.5060 0.2890930 3.346927 
1 1 1   -2   29   27 o   24.511   1.3903  591.125   65.991  594.455   90.404  587.326   96.551   24.597   1.8934   24.426   2.0363 0.1712379 2.780566 
1 1 1   -2   29   28 o   18.339   1.7906  336.633   63.600  307.241   88.735  367.682   91.202   17.498   2.6124   19.180   2.4496 -1.681870 3.581276 
1 1 1   -2   29   29 o   30.015   1.2252  888.572   71.199  802.465   98.319  983.521  103.244   28.474   1.7787   31.555   1.6855 -3.080173 2.450496 
1 1 1   -2   29   30 o   47.349   0.9995  2206.45   91.267  2179.42  121.955  2240.85  137.597   47.059   1.3350   47.638   1.4879 -0.5791664 1.999079 
1 1 1   -2   29   31 o   8.0335   2.4410   11.745   69.318   37.817   95.541 -17.2332  100.724   8.4911   3.5250   7.5758   3.3777 0.9153457 4.882089 
1 1 1   -2   29   32 f   9.2275   2.6525   46.074   82.022 -65.0884  125.643  128.630  108.277   7.6044   3.5334   10.851   3.9570 -3.246171 5.304962 
1 1 1   -2   30    1 o  179.068   1.5959 30768.63  491.073 30354.76  571.894 31930.36  958.159  176.823   1.6661  181.313   2.7223 -4.490646 3.191738 
1 1 1   -2   30    2 o  176.011   1.6055 29615.12  476.530 29151.61  549.035 31030.63  959.458  173.284   1.6322  178.739   2.7653 -5.454880 3.211071 
1 1 1   -2   30    3 o  180.525   1.6068 31417.92  496.204 31166.95  577.139 32129.25  971.633  179.173   1.6594  181.877   2.7521 -2.703949 3.213619 
1 1 1   -2   30    4 o  113.063   1.0341 12378.86  218.920 12293.61  274.946 12526.53  361.854  112.536   1.2586  113.591   1.6411 -1.055214 2.068133 
1 1 1   -2   30    5 o  307.498   1.6731 91636.47  990.093 90424.50  1312.49 93236.92  1508.24  305.154   2.2157  309.842   2.5076 -4.687836 3.346277 
1 1 1   -2   30    6 o  127.565   1.1122 15774.05  266.982 15698.26  337.900 15899.99  435.567  127.163   1.3689  127.968   1.7534 -0.8053131 2.224484 
1 1 1   -2   30    7 o  112.191   1.1582 12216.76  252.173 12051.93  351.725 12391.12  361.740  111.413   1.6263  112.969   1.6496 -1.556343 2.316454 
1 1 1   -2   30    8 o   69.746   0.8580  4722.46  116.158  4721.71  163.428  4723.21  165.129   69.741   1.2072   69.752   1.2196 -0.1091003E-01 1.715994 
1 1 1   -2   30    9 o   64.840   0.8209  4081.47  103.317  4073.18  145.928  4089.80  146.298   64.774   1.1606   64.906   1.1612 -0.1320419 1.641718 
1 1 1   -2   30   10 o   76.581   0.9102  5691.92  135.279  5594.41  188.668  5795.10  194.074   75.907   1.2804   77.256   1.2941 -1.349174 1.820487 
1 1 1   -2   30   11 o  177.787   1.4168 30701.74  485.486 30762.13  731.801 30654.28  648.825  177.933   2.1187  177.641   1.8816 0.2919922 2.833584 
1 1 1   -2   30   12 o   84.107   0.9699  6854.83  158.026  7081.20  232.355  6660.02  215.556   85.395   1.4017   82.818   1.3408 2.576797 1.939727 
1 1 1   -2   30   13 f   85.050   0.9925  7024.11  163.821  7070.37  234.384  6979.92  229.064   85.324   1.4151   84.777   1.3919 0.5466995 1.984942 
1 1 1   -2   30   14 f   46.043   0.7553  2058.03   67.415  2068.58   98.075  2048.58   92.820   46.155   1.0947   45.932   1.0410 0.2225761 1.510630 
1 1 1   -2   30   15 o   26.551   0.9044  684.141   46.487  677.250   63.313  692.200   68.475   26.407   1.2351   26.695   1.3214 -0.2885838 1.808782 
1 1 1   -2   30   16 o  129.086   1.1335 16187.88  277.046 16167.99  354.546 16219.07  443.972  129.002   1.4158  129.170   1.7706 -0.1678314 2.267094 
1 1 1   -2   30   17 o   88.680   0.9259  7628.95  155.085  7590.86  197.459  7690.28  250.549   88.402   1.1507   88.959   1.4509 -0.5568619 1.851801 
1 1 1   -2   30   18 o   75.457   0.8532  5509.80  121.618  5439.37  154.588  5624.18  197.014   74.835   1.0642   76.080   1.3340 -1.245331 1.706470 
1 1 1   -2   30   19 o   93.584   0.9897  8516.51  174.404  8530.76  221.346  8493.19  283.229   93.703   1.2169   93.466   1.5611 0.2374420 1.979331 
1 1 1   -2   30   20 o  144.806   1.3793 20424.83  384.080 20499.44  510.010 20327.09  583.776  145.142   1.8102  144.471   2.0816 0.6714172 2.758601 
1 1 1   -2   30   21 o   46.451   0.8535  2086.85   75.569  2044.53   97.542  2150.39  119.519   45.871   1.0954   47.032   1.3091 -1.161255 1.706975 
1 1 1   -2   30   22 o   64.792   0.8526  4111.70  105.620  4275.94  139.499  3891.08  161.682   66.330   1.0834   63.255   1.3168 3.075443 1.705178 
1 1 1   -2   30   23 o   87.047   0.9869  7346.54  161.846  7267.87  204.937  7476.94  263.832   86.454   1.2211   87.640   1.5508 -1.185402 1.973888 
1 1 1   -2   30   24 o   48.580   0.8936  2286.64   83.385  2231.14  109.633  2362.80  128.435   47.892   1.1793   49.268   1.3429 -1.376598 1.787217 
1 1 1   -2   30   25 o   8.4635   2.4376   23.225   64.627   60.939   90.747 -15.5868   92.059   9.3389   3.5776   7.5880   3.3117 1.750920 4.875139 
1 1 1   -2   30   26 o   35.237   1.0723  1200.48   72.750  1119.16   95.807  1311.23  111.805   33.852   1.4580   36.623   1.5727 -2.771324 2.144539 
1 1 1   -2   30   27 o   25.517   1.3166  652.939   63.874  755.907   87.203  533.740   93.824   27.771   1.6176   23.262   2.0778 4.508692 2.633207 
1 1 1   -2   30   28 o   25.331   1.3308  634.334   65.402  664.882   93.561  605.143   91.459   25.933   1.8585   24.729   1.9052 1.203930 2.661594 
1 1 1   -2   30   29 o   29.907   1.2319  884.961   71.489  850.783  100.531  919.925  101.680   29.315   1.7666   30.500   1.7174 -1.184359 2.463820 
1 1 1   -2   30   30 o   19.209   1.8855  379.298   70.303  377.319   99.444  381.275   99.404   19.156   2.6743   19.262   2.6585 -0.1065254 3.770901 
1 1 1   -2   30   31 o   9.7920   2.6729   85.819   72.006   74.713   99.299   98.134  104.570   9.4396   3.7074   10.144   3.8513 -0.7047882 5.345789 
1 1 1   -2   31    1 o  117.834   1.5720 13266.98  267.655 13161.75  292.545 13807.61  663.112  116.441   1.2943  119.227   2.8651 -2.786087 3.143914 
1 1 1   -2   31    2 o  182.997   1.6401 32374.42  520.267 32198.76  610.200 32842.11  995.660  182.113   1.7261  183.881   2.7894 -1.768051 3.280267 
1 1 1   -2   31    3 f  200.145   1.6587 38746.21  587.465 38525.57  698.419 39279.92  1086.24  199.198   1.8062  201.093   2.7827 -1.894974 3.317482 
1 1 1   -2   31    4 o   99.581   0.9686  9634.19  179.535  9653.17  224.198  9600.24  299.750   99.720   1.1582   99.441   1.5529 0.2798080 1.937206 
1 1 1   -2   31    5 o   47.204   0.6362  2175.40   55.490  2204.30   68.886  2121.98   93.649   47.654   0.7447   46.755   1.0318 0.8997803 1.272489 
1 1 1   -2   31    6 o  133.127   1.1397 17182.11  284.894 17108.09  359.459 17307.13  467.198  132.748   1.3949  133.506   1.8027 -0.7583771 2.279426 
1 1 1   -2   31    7 o  152.595   1.3872 22617.64  410.809 22966.16  578.282 22262.56  583.700  153.783   1.9372  151.407   1.9860 2.376099 2.774314 
1 1 1   -2   31    8 o   68.242   0.8340  4519.27  110.449  4590.48  158.694  4452.37  153.817   68.763   1.1889   67.721   1.1701 1.042023 1.668081 
1 1 1   -2   31    9 o  150.536   1.3755 22012.64  401.940 21932.63  568.202 22092.78  568.655  150.262   1.9480  150.810   1.9425 -0.5479431 2.750975 
1 1 1   -2   31   10 o  181.542   1.5277 32022.59  538.352 31727.21  759.039 32321.59  763.672  180.699   2.1639  182.384   2.1570 -1.685379 3.055379 
1 1 1   -2   31   11 f   84.891   1.0113  6996.57  166.621  7076.10  237.958  6920.06  233.385   85.364   1.4360   84.418   1.4242 0.9461060 2.022509 
1 1 1   -2   31   12 o  110.439   1.1699 11831.17  250.298 12085.44  367.491 11611.14  341.849  111.542   1.6972  109.336   1.6107 2.206299 2.339845 
1 1 1   -2   31   13 o   71.706   0.8819  4995.19  122.700  4834.35  173.854  5154.82  173.196   70.554   1.2694   72.857   1.2246 -2.302513 1.763817 
1 1 1   -2   31   14 o   38.329   0.7914  1427.78   58.827  1357.81   83.345  1497.25   83.042   37.392   1.1482   39.266   1.0895 -1.874241 1.582851 
1 1 1   -2   31   15 o   72.850   0.8024  5124.56  110.211  5032.70  139.474  5277.26  179.830   71.991   0.9980   73.710   1.2568 -1.718231 1.604895 
1 1 1   -2   31   16 o  101.257   1.0069  9935.36  191.282  9860.52  240.861 10063.16  314.759  100.755   1.2315  101.758   1.5935 -1.003723 2.013885 
1 1 1   -2   31   17 o   26.879   0.9654  704.907   50.056  731.845   67.886  672.812   74.100   27.446   1.2742   26.312   1.4508 1.134058 1.930898 
1 1 1   -2   31   18 o   93.472   0.9855  8532.91  173.635  8672.19  221.551  8311.14  279.558   94.480   1.2080   92.464   1.5575 2.016563 1.971078 
1 1 1   -2   31   19 o  111.582   1.1124 12162.25  235.699 12386.21  304.813 11829.19  371.712  112.887   1.3910  110.277   1.7364 2.610825 2.224868 
1 1 1   -2   31   20 o   72.545   0.8644  5118.62  118.509  5132.23  151.330  5097.04  190.568   72.681   1.0726   72.410   1.3558 0.2711487 1.728764 
1 1 1   -2   31   21 o   30.371   4.0862  766.547   80.744  756.541   81.784  1152.46  507.909   27.889   1.5107   32.854   8.0315 -4.964842 8.172339 
1 1 1   -2   31   22 o   61.710   0.8513  3698.12  100.312  3680.42  130.450  3723.74  156.913   61.538   1.0920   61.881   1.3063 -0.3434677 1.702608 
1 1 1   -2   31   23 o   45.223   0.9062  2000.38   79.058  2124.71  108.247  1858.25  115.740   46.744   1.1930   43.702   1.3643 3.041725 1.812313 
1 1 1   -2   31   24 o   33.004   1.0975  1056.46   68.980  1034.66   88.862  1089.50  109.420   32.591   1.4046   33.417   1.6868 -0.8259888 2.195044 
1 1 1   -2   31   25 o   34.611   1.0919  1166.15   72.697  1146.62   96.163  1192.20  111.058   34.286   1.4449   34.936   1.6376 -0.6502342 2.183892 
1 1 1   -2   31   26 o   14.957   2.5299  220.975   72.670  324.852  116.017  153.906   93.224   17.675   3.5051   12.238   3.6490 5.437346 5.059728 
1 1 1   -2   31   27 o   20.874   1.5449  434.115   62.182  478.226   86.535  387.020   89.413   22.007   2.0257   19.742   2.3331 2.264490 3.089822 
1 1 1   -2   31   28 o   42.510   0.9626  1772.80   79.303  1767.47  109.006  1778.79  115.586   42.455   1.3227   42.565   1.3989 -0.1100349 1.925202 
1 1 1   -2   31   29 o   13.399   2.5153  196.285   66.523  190.649   95.729  201.549   92.510   13.200   3.6251   13.598   3.4878 -0.3982058 5.030509 
1 1 1   -2   31   30 o   9.6948   2.6197   75.988   70.501  122.838  101.918   33.001   97.626   10.896   3.8556   8.4933   3.5477 2.402911 5.239475 
1 1 1   -2   31   31 o   29.228   1.5210  863.837   85.533  923.035  131.485  820.408  112.618   30.018   2.2564   28.437   2.0401 1.581432 3.041984 
1 1 1   -2   32    1 o  210.679   1.7059 43141.08  636.247 43185.61  757.919 43034.82  1170.84  210.893   1.8514  210.465   2.8658 0.4286346 3.411840 
1 1 1   -2   32    2 o   57.487   1.7836  3090.06   87.343  3076.93   89.555  3346.03  395.419   56.302   0.8194   58.671   3.4719 -2.369438 3.567280 
1 1 1   -2   32    3 o   99.191   1.5552  9323.37  197.290  9248.91  210.371  9866.83  568.352   97.610   1.1103  100.771   2.9055 -3.161537 3.110369 
1 1 1   -2   32    4 o  164.321   1.3239 26257.97  412.099 26398.20  528.682 26040.85  657.860  164.889   1.6517  163.752   2.0696 1.136627 2.647894 
1 1 1   -2   32    5 o  141.230   1.1950 19391.12  318.098 19468.45  404.533 19265.84  514.887  141.606   1.4717  140.854   1.8831 0.7522736 2.389958 
1 1 1   -2   32    6 o   23.093   0.9286  519.780   41.396  581.700   58.466  457.532   58.621   24.478   1.2304   21.708   1.3911 2.769871 1.857178 
1 1 1   -2   32    7 o  161.845   1.5194 25500.91  474.416 24905.91  706.810 25988.75  640.005  160.115   2.2741  163.575   2.0156 -3.459900 3.038750 
1 1 1   -2   32    8 o  124.104   1.2410 14956.31  298.941 14734.27  419.737 15184.89  425.862  123.169   1.7555  125.038   1.7545 -1.869324 2.481990 
1 1 1   -2   32    9 o   91.285   1.0144  8091.10  179.728  8285.48  255.425  7900.47  252.942   92.371   1.4245   90.199   1.4446 2.172302 2.028825 
1 1 1   -2   32   10 o   50.904   0.7465  2515.90   73.754  2470.18  104.289  2561.65  104.320   50.442   1.0651   51.367   1.0462 -0.9256783 1.492964 
1 1 1   -2   32   11 o  229.346   1.6751 51130.80  745.655 51302.60  1046.40 50953.57  1062.83  229.741   2.3463  228.952   2.3914 0.7892456 3.350252 
1 1 1   -2   32   12 o   67.258   0.8619  4393.68  112.507  4315.58  159.742  4470.56  158.484   66.664   1.2344   67.851   1.2033 -1.187325 1.723846 
1 1 1   -2   32   13 o   68.194   0.8621  4509.17  114.005  4669.83  165.922  4365.50  156.910   69.342   1.2327   67.046   1.2056 2.296616 1.724235 
1 1 1   -2   32   14 o   28.552   0.8873  791.465   49.075  796.944   71.903  786.687   67.147   28.644   1.2932   28.460   1.2154 0.1836910 1.774663 
1 1 1   -2   32   15 o   81.972   0.8718  6542.15  134.403  6590.06  170.491  6463.50  218.452   82.377   1.0662   81.567   1.3797 0.8101578 1.743628 
1 1 1   -2   32   16 f   95.568   0.9684  8919.75  174.230  9066.42  221.910  8684.02  281.326   96.610   1.1833   94.525   1.5332 2.085396 1.936706 
1 1 1   -2   32   17 o  114.259   1.1234 12730.37  243.274 12877.27  312.902 12505.86  386.818  115.115   1.4003  113.403   1.7572 1.711845 2.246880 
1 1 1   -2   32   18 o   87.328   0.9520  7406.13  156.445  7391.10  198.169  7430.98  254.877   87.224   1.1704   87.432   1.5017 -0.2086258 1.903955 
1 1 1   -2   32   19 o   16.291   1.7875  260.837   54.781  216.791   74.528  312.602   80.794   14.673   2.7166   17.909   2.3240 -3.235905 3.575020 
1 1 1   -2   32   20 o   20.713   1.3737  416.189   54.734  343.559   74.899  499.424   80.181   18.777   2.0549   22.649   1.8238 -3.871620 2.747461 
1 1 1   -2   32   21 o   23.184   1.3141  521.823   58.737  441.815   80.603  612.416   85.770   21.292   1.9502   25.077   1.7620 -3.785370 2.628255 
1 1 1   -2   32   22 o   39.305   0.9358  1504.51   71.085  1525.20   96.494  1479.96  105.119   39.605   1.2551   39.005   1.3883 0.5997887 1.871585 
1 1 1   -2   32   23 o   54.336   0.8653  2854.39   90.163  2765.41  117.823  2980.13  140.061   53.328   1.1382   55.344   1.3037 -2.015594 1.730635 
1 1 1   -2   32   24 o   20.355   1.6507  408.434   64.908  444.498   90.579  370.367   93.060   21.296   2.1911   19.413   2.4694 1.882256 3.301380 
1 1 1   -2   32   25 o   49.696   0.8938  2411.03   84.771  2428.82  110.446  2385.53  132.244   49.939   1.1393   49.453   1.3776 0.4858284 1.787671 
1 1 1   -2   32   26 o   63.155   0.9142  3914.43  109.946  4009.89  143.257  3777.61  171.501   64.134   1.1507   62.176   1.4209 1.957344 1.828438 
1 1 1   -2   32   27 o   17.752   2.1515  328.057   68.449  311.243  115.168  337.240   85.113   17.111   3.5822   18.392   2.3840 -1.280899 4.302916 
1 1 1   -2   32   28 o   13.352   2.3770  189.945   64.298  113.529   89.038  273.224   92.951   10.628   3.6121   16.076   3.0908 -5.448077 4.753961 
1 1 1   -2   32   29 o   18.610   2.0167  360.050   70.391  429.682  102.082  296.926   97.194   20.543   2.5598   16.676   3.1170 3.866838 4.033447 
1 1 1   -2   32   30 o   23.507   1.6286  566.087   73.764  610.895  101.441  515.809  107.456   24.581   2.1259   22.432   2.4677 2.149136 3.257124 
1 1 1   -2   32   31 f   7.9747   2.5251 -12.1044   79.539 -27.1070  125.517  -2.0371  102.820   8.1326   3.6857   7.8169   3.4527 0.3156509 5.050262 
1 1 1   -2   33    1 o   42.744   3.0936  1788.38  246.152  1815.80  308.526  1740.36  408.293   43.214   3.6779   42.275   4.9754 0.9390755 6.187225 
1 1 1   -2   33    2 o  156.856   1.5983 23463.05  406.729 23117.07  460.521 24689.87  867.204  154.305   1.5375  159.408   2.8025 -5.103058 3.196539 
1 1 1   -2   33    3 o   43.278   2.4369  2280.12   72.044  2319.42   73.603  1382.01  351.882   48.882   0.7757   37.673   4.8117 11.20948 4.873857 
1 1 1   -2   33    4 o  137.304   1.1796 18276.26  305.051 18185.34  386.622 18426.22  496.526  136.859   1.4553  137.749   1.8569 -0.8897247 2.359219 
1 1 1   -2   33    5 o  172.267   1.3399 28730.89  437.112 28420.10  558.298 29223.15  702.639  171.078   1.6812  173.456   2.0868 -2.378159 2.679730 
1 1 1   -2   33    6 o  157.281   1.2800 23939.92  380.042 23666.94  482.677 24385.21  616.463  156.117   1.5927  158.445   2.0043 -2.328949 2.560077 
1 1 1   -2   33    7 o  190.963   1.5340 35434.15  568.397 35535.13  793.196 35327.55  814.914  191.246   2.1366  190.681   2.2016 0.5653381 3.067920 
1 1 1   -2   33    8 o  171.071   1.4743 28437.68  489.486 28661.07  687.279 28207.72  697.305  171.755   2.0614  170.387   2.1082 1.367767 2.948560 
1 1 1   -2   33    9 o   69.685   0.8725  4714.49  117.991  4697.51  164.792  4732.35  169.017   69.557   1.2205   69.814   1.2472 -0.2569199 1.744992 
1 1 1   -2   33   10 o  113.758   1.2118 12571.35  267.538 12686.45  375.913 12453.22  380.848  114.286   1.6944  113.229   1.7327 1.057304 2.423523 
1 1 1   -2   33   11 o  128.392   1.3222 16018.20  329.516 15875.07  466.829 16160.32  465.189  127.820   1.8815  128.965   1.8582 -1.144989 2.644391 
1 1 1   -2   33   12 o   87.029   1.0092  7353.18  170.390  7466.24  245.964  7248.86  236.265   87.671   1.4453   86.387   1.4089 1.283936 2.018381 
1 1 1   -2   33   13 o  119.804   1.1945 13935.43  277.150 14123.56  407.361 13773.31  378.164  120.551   1.7408  119.056   1.6363 1.495193 2.389091 
1 1 1   -2   33   14 o   62.189   0.8311  3754.15  100.290  3895.19  143.570  3619.75  140.155   63.329   1.1679   61.048   1.1827 2.280636 1.662131 
1 1 1   -2   33   15 o   40.440   0.7210  1579.53   54.434  1557.30   67.968  1619.30   90.901   40.048   0.8743   40.832   1.1468 -0.7836151 1.442095 
1 1 1   -2   33   16 o   30.504   0.8744  902.200   51.726  860.581   71.317  948.394   75.136   29.763   1.2344   31.245   1.2388 -1.481510 1.748825 
1 1 1   -2   33   17 o  155.299   1.4075 23529.46  419.122 23875.36  553.480 23064.46  641.717  156.673   1.8199  153.925   2.1477 2.748062 2.815050 
1 1 1   -2   33   18 f   64.056   0.8092  3961.05   98.439  3868.61  126.032  4105.68  157.641   63.109   1.0288   65.003   1.2493 -1.893211 1.618390 
1 1 1   -2   33   19 o   85.989   0.9584  7228.16  155.749  7371.34  199.773  7006.27  248.703   87.097   1.1816   84.882   1.5094 2.215317 1.916881 
1 1 1   -2   33   20 o   60.285   0.8331  3520.25   95.268  3477.94  122.024  3586.31  152.461   59.830   1.0507   60.740   1.2931 -0.9091530 1.666100 
1 1 1   -2   33   21 o   67.224   0.8593  4418.64  109.869  4525.75  142.785  4263.18  172.025   68.241   1.0779   66.208   1.3385 2.032570 1.718544 
1 1 1   -2   33   22 o   34.843   1.0281  1168.36   69.139  1054.34   92.070  1315.80  104.697   32.916   1.4409   36.770   1.4668 -3.853664 2.056183 
1 1 1   -2   33   23 o   40.391   0.9315  1587.48   72.867  1580.76   99.582  1595.23  106.905   40.303   1.2728   40.480   1.3605 -0.1763763 1.863087 
1 1 1   -2   33   24 o   60.458   0.9067  3563.62  104.047  3575.71  133.936  3545.22  165.235   60.610   1.1384   60.305   1.4115 0.3049660 1.813352 
1 1 1   -2   33   25 o   22.060   1.5704  477.843   66.843  409.698   92.069  553.798   97.202   20.386   2.3266   23.734   2.1098 -3.348135 3.140738 
1 1 1   -2   33   26 o   22.311   1.4976  495.759   64.205  541.056   87.694  443.426   94.259   23.451   1.9264   21.171   2.2936 2.280281 2.995242 
1 1 1   -2   33   27 o   28.776   1.1809  816.580   65.637  919.843   93.696  717.068   91.978   30.587   1.5780   26.965   1.7572 3.622446 2.361769 
1 1 1   -2   33   28 o   20.445   2.0862  443.004   76.708  391.665  124.386  474.511   97.443   19.139   3.4760   21.750   2.3079 -2.610760 4.172377 
1 1 1   -2   33   29 o   16.739   2.2381  297.137   71.089  258.246   98.081  340.181  103.185   15.372   3.3791   18.106   2.9358 -2.734462 4.476270 
1 1 1   -2   33   30 o   20.890   1.8561  452.636   75.134  468.374  104.583  435.849  108.011   21.314   2.5278   20.466   2.7187 0.8472080 3.712294 
1 1 1   -2   33   31 o   9.6776   2.8069   42.100   82.810  159.903  142.278 -18.2511  101.836   11.873   4.4960   7.4822   3.3617 4.390814 5.613872 
1 1 1   -2   34    1 o  150.096   1.6933 22138.30  406.240 22334.65  459.946 21441.75  866.305  151.666   1.5623  148.526   3.0047 3.139816 3.386584 
1 1 1   -2   34    2 o  196.889   1.7125 37847.00  593.769 38106.62  705.778 37218.17  1098.41  198.090   1.8354  195.688   2.8916 2.402344 3.424917 
1 1 1   -2   34    3 o  203.649   1.7286 40272.71  615.747 40244.28  727.191 40344.73  1157.43  203.567   1.8402  203.730   2.9267 -0.1632080 3.457147 
1 1 1   -2   34    4 o  178.131   1.3736 30813.98  463.823 30795.01  594.922 30843.38  740.657  178.075   1.7210  178.188   2.1413 -0.1127777 2.747200 
1 1 1   -2   34    5 o  109.678   1.0219 11727.10  210.042 11862.31  265.356 11500.24  343.709  110.534   1.2367  108.822   1.6271 1.712700 2.043731 
1 1 1   -2   34    6 o  189.497   1.3960 34824.29  503.093 34588.75  648.336 35180.77  797.593  188.710   1.7699  190.284   2.1593 -1.574692 2.791959 
1 1 1   -2   34    7 o  112.044   1.0509 12164.26  220.022 12093.14  275.618 12289.22  365.317  111.601   1.2723  112.486   1.6730 -0.8852539 2.101830 
1 1 1   -2   34    8 o   69.059   0.8820  4629.70  118.231  4724.82  168.464  4537.37  165.970   69.758   1.2441   68.360   1.2507 1.397911 1.764093 
1 1 1   -2   34    9 o  188.865   1.5525 34657.33  569.005 34434.03  794.290 34892.73  815.519  188.243   2.1737  189.488   2.2171 -1.245117 3.104907 
1 1 1   -2   34   10 o   18.606   1.2845  345.511   44.944  253.725   64.818  430.504   62.373   16.158   2.0665   21.053   1.5262 -4.895342 2.569033 
1 1 1   -2   34   11 o  123.778   1.3052 14893.16  313.526 15114.22  440.607 14666.41  446.232  124.711   1.8200  122.845   1.8713 1.865730 2.610409 
1 1 1   -2   34   12 o   12.519   1.8033  158.534   42.294  148.260   60.998  168.048   58.695   12.106   2.6676   12.933   2.4272 -0.8270798 3.606579 
1 1 1   -2   34   13 o   46.423   0.7664  2092.81   69.057  2095.46   98.280  2090.22   97.055   46.452   1.0899   46.394   1.0777 0.5785370E-01 1.532760 
1 1 1   -2   34   14 o   50.823   0.7687  2508.34   75.832  2532.32  107.561  2484.65  106.928   51.064   1.0851   50.581   1.0890 0.4830208 1.537346 
1 1 1   -2   34   15 o   48.631   0.7977  2294.58   75.219  2245.42  103.548  2349.50  109.449   48.081   1.1094   49.181   1.1464 -1.100510 1.595350 
1 1 1   -2   34   16 o   80.985   0.8945  6373.42  136.661  6377.85  173.893  6366.26  221.006   81.032   1.1055   80.939   1.4066 0.9274292E-01 1.789070 
1 1 1   -2   34   17 o  164.496   1.4347 26393.55  453.809 26768.85  604.192 25907.77  687.395  165.874   1.8764  163.118   2.1709 2.755707 2.869459 
1 1 1   -2   34   18 o   23.614   1.1577  543.728   52.864  489.856   74.824  597.420   74.698   22.440   1.7177   24.787   1.5525 -2.346693 2.315308 
1 1 1   -2   34   19 o   17.110   1.7492  294.435   54.833  381.769   78.326  210.493   76.790   19.795   2.0384   14.426   2.8433 5.368813 3.498463 
1 1 1   -2   34   20 o   64.876   0.8476  4065.30  104.414  3971.10  133.644  4212.90  167.285   63.926   1.0770   65.825   1.3092 -1.898773 1.695238 
1 1 1   -2   34   21 o   75.159   0.9117  5528.83  130.024  5672.27  168.295  5316.42  204.795   76.392   1.1349   73.925   1.4271 2.466171 1.823371 
1 1 1   -2   34   22 o   39.491   0.9328  1517.23   70.980  1517.23   94.811  1517.24  107.064   39.497   1.2366   39.486   1.3968 0.1103210E-01 1.865554 
1 1 1   -2   34   23 o   28.905   1.1870  805.288   66.188  706.553   88.330  931.716   99.953   26.908   1.6911   30.902   1.6663 -3.993883 2.374051 
1 1 1   -2   34   24 o   36.915   1.0100  1328.55   71.596  1325.29   94.524  1332.94  109.657   36.875   1.3205   36.955   1.5286 -0.8001328E-01 2.020037 
1 1 1   -2   34   25 o   14.929   2.1727  227.701   61.978  185.266   86.958  271.513   88.358   13.328   3.3615   16.530   2.7537 -3.201651 4.345396 
1 1 1   -2   34   26 o   6.4003   2.0994 -70.0884   62.360 -82.1677   90.871 -59.3361   85.734   6.3495   2.9684   6.4511   2.9695 -0.1016316 4.198755 
1 1 1   -2   34   27 o   15.968   2.0771  264.093   62.860  293.248   89.403  235.589   88.400   17.027   2.7049   14.910   3.1529 2.117068 4.154150 
1 1 1   -2   34   28 o   22.798   1.8533  537.961   78.946  483.471  126.131  573.058  101.227   21.675   2.9978   23.920   2.1800 -2.245394 3.706631 
1 1 1   -2   34   29 o   24.284   1.8038  579.575   83.243  767.648  133.513  459.971  106.472   27.396   2.5106   21.172   2.5907 6.224419 3.607561 
1 1 1   -2   34   30 o   19.615   2.4486  437.025   87.276  366.400  137.380  484.816  113.011   17.685   4.0843   21.546   2.7020 -3.861105 4.897152 
1 1 1   -2   35    1 o  213.385   1.7429 44095.82  661.620 43869.98  789.811 44627.18  1211.45  212.523   1.9145  214.247   2.9129 -1.723083 3.485717 
1 1 1   -2   35    2 o  108.955   1.6228 11336.58  238.282 11260.85  256.558 11812.03  642.838  107.696   1.2272  110.215   3.0047 -2.518639 3.245623 
1 1 1   -2   35    3 o  131.674   1.7443 16835.50  327.238 16828.46  357.121 16872.40  817.196  131.648   1.3975  131.701   3.1965 -0.5384827E-01 3.488598 
1 1 1   -2   35    4 o   76.725   0.8195  5706.32  116.859  5684.40  145.452  5746.25  196.267   76.520   0.9792   76.929   1.3143 -0.4084167 1.638971 
1 1 1   -2   35    5 o   84.495   0.8730  6938.62  137.392  6955.76  171.735  6908.14  228.999   84.644   1.0452   84.346   1.3986 0.2988586 1.746029 
1 1 1   -2   35    6 f  145.228   1.2430 20463.84  339.336 20397.25  428.995 20575.17  554.643  144.926   1.5249  145.530   1.9633 -0.6040649 2.485957 
1 1 1   -2   35    7 o   87.389   0.8967  7383.06  145.157  7309.32  179.682  7521.61  246.290   86.769   1.0668   88.010   1.4416 -1.241318 1.793398 
1 1 1   -2   35    8 o  245.677   1.7329 58660.46  825.998 58335.11  1148.63 59008.91  1188.68  244.977   2.4154  246.377   2.4854 -1.399963 3.465757 
1 1 1   -2   35    9 o   68.167   0.8711  4512.27  115.266  4477.65  163.015  4546.87  163.007   67.906   1.2367   68.429   1.2272 -0.5230942 1.742205 
1 1 1   -2   35   10 o  131.317   1.3353 16759.13  340.363 16811.55  480.481 16706.34  482.216  131.524   1.8819  131.110   1.8947 0.4133911 2.670505 
1 1 1   -2   35   11 o   68.127   0.8773  4507.69  116.009  4586.73  164.347  4429.20  163.776   68.722   1.2320   67.531   1.2493 1.191048 1.754600 
1 1 1   -2   35   12 o   47.730   0.7594  2212.28   70.356  2210.03   98.730  2214.59  100.285   47.706   1.0661   47.755   1.0818 -0.4887772E-01 1.518878 
1 1 1   -2   35   13 o   46.622   0.7742  2110.59   70.047  2175.00   99.731  2047.87   98.405   47.325   1.0856   45.920   1.1039 1.404358 1.548308 
1 1 1   -2   35   14 o   33.541   0.8124  1092.52   52.888  1103.65   75.453  1081.76   74.154   33.709   1.1531   33.373   1.1447 0.3357735 1.624787 
1 1 1   -2   35   15 o   32.740   0.8814  1041.29   56.013  1019.05   78.889  1063.90   79.543   32.387   1.2548   33.092   1.2383 -0.7053566 1.762899 
1 1 1   -2   35   16 o   15.753   1.6237  245.015   47.729  192.727   65.705  303.434   69.450   13.847   2.5379   17.658   2.0261 -3.810329 3.247473 
1 1 1   -2   35   17 o  118.939   1.1692 13755.24  262.886 13747.72  335.594 13767.17  422.928  118.923   1.4537  118.954   1.8316 -0.3086090E-01 2.338365 
1 1 1   -2   35   18 o   70.922   0.8563  4849.27  114.657  4727.21  145.213  5051.33  186.845   69.756   1.0724   72.088   1.3352 -2.332901 1.712557 
1 1 1   -2   35   19 o   91.675   0.9865  8209.62  171.272  8349.84  220.349  7995.60  272.224   92.688   1.2247   90.663   1.5468 2.024673 1.972918 
1 1 1   -2   35   20 o  118.307   1.1977 13617.47  267.613 13579.32  340.896 13678.75  432.008  118.135   1.4865  118.479   1.8784 -0.3435516 2.395452 
1 1 1   -2   35   21 o   43.967   0.8870  1894.21   75.098  2040.13  102.648  1726.15  110.160   45.810   1.1543   42.125   1.3472 3.684689 1.774058 
1 1 1   -2   35   22 o   48.337   0.8594  2270.22   79.812  2254.60  105.419  2291.19  122.165   48.150   1.1279   48.524   1.2969 -0.3740158 1.718765 
1 1 1   -2   35   23 o   24.416   1.3459  579.192   63.484  546.364   84.895  620.838   95.619   23.641   1.8499   25.191   1.9554 -1.549257 2.691813 
1 1 1   -2   35   24 o   30.408   1.1388  904.876   67.015  919.826   91.698  887.737   98.182   30.687   1.5394   30.129   1.6787 0.5580692 2.277653 
1 1 1   -2   35   25 o   21.120   1.5151  439.643   62.110  433.121   87.655  446.220   88.021   20.961   2.1543   21.279   2.1309 -0.3181553 3.030163 
1 1 1   -2   35   26 o   26.822   1.2555  708.236   65.344  690.831   90.876  726.867   94.023   26.482   1.7678   27.161   1.7833 -0.6784058 2.511025 
1 1 1   -2   35   27 o   6.4840   2.1130 -79.8970   63.483  -8.7446   92.765 -142.5707   87.063   7.5789   3.3157   5.3892   2.6203 2.189768 4.226080 
1 1 1   -2   35   28 o   25.210   1.4363  636.520   70.129  655.682   96.973  615.510  101.540   25.638   1.9485   24.782   2.1107 0.8558102 2.872624 
1 1 1   -2   35   29 o   17.708   2.3139  339.662   77.479  303.593  110.971  373.966  108.223   16.514   3.5661   18.901   2.9496 -2.387268 4.627859 
1 1 1   -2   35   30 o   17.237   2.5750  344.808   84.744  264.939  125.084  412.571  115.215   14.843   4.1692   19.632   3.0233 -4.789091 5.150041 
1 1 1   -2   36    1 o  104.723   1.7209 10863.34  234.885 10936.39  252.195 10385.37  645.123  106.131   1.2241  103.316   3.2167 2.815598 3.441761 
1 1 1   -2   36    2 o   74.626   1.9237  5428.70  132.910  5430.65  137.144  5398.64  539.075   74.793   0.9446   74.458   3.7297 0.3353958 3.847456 
1 1 1   -2   36    3 o  115.943   1.8295 13592.87  285.423 13806.91  309.005 12348.98  744.914  119.244   1.3349  112.641   3.4068 6.603546 3.658998 
1 1 1   -2   36    4 o   82.008   1.8107  6779.23  160.614  6830.52  168.229  6250.90  539.927   83.879   1.0332   80.136   3.4709 3.743042 3.621412 
1 1 1   -2   36    5 o   20.028   1.0515  385.174   39.989  369.626   51.005  409.979   64.424   19.511   1.3467   20.546   1.6153 -1.035494 2.103056 
1 1 1   -2   36    6 o   88.948   0.9200  7737.97  152.499  7887.20  191.592  7479.96  251.916   90.132   1.0950   87.764   1.4787 2.368179 1.839999 
1 1 1   -2   36    7 o   54.986   0.6939  2921.12   71.179  2885.00   88.828  2985.93  118.979   54.515   0.8394   55.456   1.1052 -0.9416084 1.387851 
1 1 1   -2   36    8 o  106.681   1.1474 11053.21  237.592 10824.88  333.725 11287.90  338.336  105.564   1.6286  107.799   1.6168 -2.234680 2.294876 
1 1 1   -2   36    9 o  154.906   1.4631 23321.81  439.848 23105.06  614.645 23549.31  629.708  154.170   2.0538  155.641   2.0842 -1.471481 2.926126 
1 1 1   -2   36   10 o   39.126   0.7699  1486.55   58.464  1448.13   82.374  1525.56   82.990   38.617   1.0989   39.636   1.0786 -1.019310 1.539795 
1 1 1   -2   36   11 f  115.634   1.2382 12995.51  277.904 13005.48  390.760 12985.31  395.311  115.680   1.7402  115.588   1.7618 0.9167480E-01 2.476317 
1 1 1   -2   36   12 o   58.455   0.8245  3318.39   93.550  3291.53  131.491  3345.92  133.123   58.215   1.1636   58.694   1.1684 -0.4788055 1.648959 
1 1 1   -2   36   13 o   83.607   0.9883  6781.15  160.251  7030.96  232.736  6555.95  220.978   85.069   1.4094   82.146   1.3858 2.922485 1.976555 
1 1 1   -2   36   14 o   27.714   0.9499  746.127   51.097  764.292   72.789  728.477   71.746   28.046   1.3370   27.381   1.3498 0.6653004 1.899887 
1 1 1   -2   36   15 o   63.975   0.8769  3975.56  108.858  3999.20  156.333  3953.30  151.671   64.158   1.2553   63.791   1.2248 0.3676949 1.753827 
1 1 1   -2   36   16 o   48.780   0.7430  2303.52   69.238  2268.61   89.917  2354.38  108.520   48.331   0.9584   49.230   1.1356 -0.8989258 1.485964 
1 1 1   -2   36   17 o   25.711   1.1340  644.800   56.356  667.213   77.062  619.033   82.627   26.196   1.5155   25.227   1.6873 0.9688625 2.267947 
1 1 1   -2   36   18 o   47.527   0.8092  2185.89   73.926  2132.44   97.410  2258.49  113.526   46.848   1.0711   48.205   1.2132 -1.357468 1.618399 
1 1 1   -2   36   19 o   63.265   0.8582  3884.65  102.898  3863.83  131.786  3917.15  164.694   63.058   1.0766   63.472   1.3367 -0.4136581 1.716356 
1 1 1   -2   36   20 o   10.180   2.4632   93.621   58.628  100.358   81.843   86.520   84.026   10.385   3.4632   9.9748   3.5037 0.4104509 4.926459 
1 1 1   -2   36   21 o   36.915   0.9560  1325.32   67.546  1322.76   88.393  1328.90  104.716   36.880   1.2347   36.951   1.4599 -0.7073593E-01 1.912014 
1 1 1   -2   36   22 o   38.373   0.9528  1430.42   70.449  1406.78   93.728  1461.11  106.808   38.017   1.2701   38.730   1.4207 -0.7133789 1.905612 
1 1 1   -2   36   23 o   24.068   1.3889  566.585   64.755  517.811   90.057  618.796   93.176   22.991   2.0179   25.145   1.9089 -2.154289 2.777720 
1 1 1   -2   36   24 o   44.298   0.9402  1911.24   80.257  1887.09  106.911  1942.43  121.481   43.991   1.2520   44.605   1.4030 -0.6138954 1.880378 
1 1 1   -2   36   25 o   25.876   1.5581  679.066   75.091  591.315  120.021  735.509   96.258   24.391   2.5349   27.360   1.8124 -2.969404 3.116164 
1 1 1   -2   36   26 o   14.805   2.2020  231.234   61.328  261.510   87.289  201.719   86.185   15.834   2.9485   13.777   3.2713 2.056148 4.403984 
1 1 1   -2   36   27 o   20.048   1.6819  404.132   65.402  386.263   92.535  421.968   92.451   19.589   2.4335   20.507   2.3224 -0.9181023 3.363856 
1 1 1   -2   36   28 o   6.8453   2.2289 -83.6329   70.786 -158.1685   97.572  -0.8182  102.849   5.6638   2.7584   8.0268   3.5019 -2.362950 4.457826 
1 1 1   -2   36   29 o   8.5286   2.5612   25.932   74.264   45.040  100.793   3.2403  109.840   8.8080   3.6356   8.2492   3.6084 0.5587759 5.122338 
1 1 1   -2   36   30 o   22.773   2.0861  564.411   89.413  511.154  139.801  601.276  116.313   21.542   3.3431   24.004   2.4962 -2.461451 4.172205 
1 1 1   -2   37    1 o  170.083   1.7335 28210.28  490.845 28298.85  564.591 27936.14  993.329  170.694   1.7039  169.472   3.0195 1.222000 3.467071 
1 1 1   -2   37    2 o   43.721   3.2200  2098.68   71.383  2108.08   72.102  1634.50  506.626   46.601   0.7971   40.841   6.3904 5.759983 6.439910 
1 1 1   -2   37    3 o  103.218   1.7937 10609.28  231.995 10689.87  247.543 10027.52  665.086  104.928   1.2153  101.507   3.3753 3.421295 3.587458 
1 1 1   -2   37    4 o  105.480   1.8705 11343.72  249.839 11522.04  267.611 10133.29  697.212  108.934   1.2655  102.026   3.5204 6.908089 3.740940 
1 1 1   -2   37    5 o  193.866   1.4741 36514.77  544.072 36497.13  703.743 36540.96  857.794  193.829   1.8704  193.903   2.2789 -0.7438660E-01 2.948208 
1 1 1   -2   37    6 o   79.352   0.8476  6147.84  125.440  6238.68  157.574  5990.65  207.270   80.161   1.0126   78.543   1.3595 1.618774 1.695156 
1 1 1   -2   37    7 o   43.839   2.9657  2197.87   72.075  2214.13   72.995  1564.30  455.578   47.757   0.7874   39.921   5.8789 7.836147 5.931366 
1 1 1   -2   37    8 o   96.203   1.1062  8987.29  206.454  8885.19  286.360  9097.81  297.922   95.636   1.5425   96.771   1.5860 -1.135071 2.212372 
1 1 1   -2   37    9 o   17.135   1.3481  287.699   43.551  204.568   60.103  379.594   63.192   14.504   2.1347   19.765   1.6470 -5.260946 2.696260 
1 1 1   -2   37   10 o   95.996   1.1036  8957.40  205.564  9177.93  289.192  8732.18  292.256   97.192   1.5328   94.799   1.5882 2.393105 2.207204 
1 1 1   -2   37   11 o  123.355   1.3244 14794.05  317.120 14883.70  448.566 14704.47  448.384  123.729   1.8676  122.981   1.8782 0.7483978 2.648726 
1 1 1   -2   37   12 o   47.240   0.7806  2163.88   71.526  2080.76   98.775  2255.52  103.711   46.287   1.0993   48.192   1.1086 -1.904388 1.561258 
1 1 1   -2   37   13 o   54.206   0.8016  2853.62   84.339  2817.91  118.351  2890.48  120.216   53.862   1.1319   54.551   1.1353 -0.6890030 1.603162 
1 1 1   -2   37   14 o   57.821   0.8289  3248.69   93.011  3189.53  132.341  3306.43  130.748   57.300   1.1898   58.342   1.1545 -1.042042 1.657845 
1 1 1   -2   37   15 o   28.438   0.9794  786.394   54.035  761.297   76.847  810.937   75.994   27.988   1.4145   28.888   1.3552 -0.8996315 1.958895 
1 1 1   -2   37   16 o   29.513   0.9025  850.834   51.370  894.882   69.967  799.319   75.664   30.349   1.1876   28.678   1.3592 1.670780 1.804950 
1 1 1   -2   37   17 o   56.648   0.7880  3124.31   85.268  3154.76  111.381  3081.20  132.530   56.988   1.0069   56.308   1.2125 0.6791687 1.576033 
1 1 1   -2   37   18 o   61.974   0.8159  3745.48   96.683  3811.29  126.860  3654.29  149.333   62.633   1.0434   61.315   1.2546 1.317352 1.631824 
1 1 1   -2   37   19 o   14.867   2.2497  247.169   63.134  125.886  102.860  320.478   79.969   11.615   3.8826   18.118   2.2738 -6.503064 4.499435 
1 1 1   -2   37   20 o   63.472   0.8631  3929.41  104.741  3990.28  137.337  3844.78  161.935   64.072   1.1042   62.872   1.3268 1.199436 1.726210 
1 1 1   -2   37   21 o   57.595   0.8559  3217.74   93.907  3181.63  121.295  3271.77  148.367   57.204   1.0923   57.986   1.3181 -0.7816811 1.711884 
1 1 1   -2   37   22 o   30.421   1.1409  909.514   66.875  989.445   92.101  820.372   97.263   31.857   1.4893   28.985   1.7287 2.871773 2.281750 
1 1 1   -2   37   23 o   52.052   0.8973  2643.62   89.469  2660.54  117.609  2620.39  137.844   52.267   1.1592   51.836   1.3699 0.4308586 1.794527 
1 1 1   -2   37   24 o   8.9521   2.3051   39.690   60.152 -52.8352   85.635  129.800   84.510   6.5816   3.0065   11.322   3.4949 -4.740857 4.610122 
1 1 1   -2   37   25 o   23.412   1.3782  540.746   62.591  540.890   90.230  540.612   86.897   23.407   1.9858   23.416   1.9117 -0.8407593E-02 2.756465 
1 1 1   -2   37   26 o   20.228   1.6574  411.227   64.850  383.782   93.363  436.813   90.146   19.542   2.4612   20.915   2.2204 -1.373203 3.314779 
1 1 1   -2   37   27 o   10.135   2.3941   83.740   63.684 -10.7756   89.576  180.337   90.557   7.3894   3.2448   12.881   3.5210 -5.491350 4.788126 
1 1 1   -2   37   28 o   31.857   1.2044  1014.58   74.010  1124.55  103.582  899.884  105.784   33.681   1.5843   30.032   1.8145 3.649263 2.408831 
1 1 1   -2   37   29 o   10.113   2.6366  -6.5256   82.175  247.339  135.761 -153.3193  103.235   14.338   4.4302   5.8867   2.8602 8.451626 5.273295 
1 1 1   -2   38    1 o   37.351   3.7862  1910.00   70.003  1935.85   70.914  923.047  438.167   44.656   0.8181   30.045   7.5282 14.61102 7.572478 
1 1 1   -2   38    2 o   50.475   2.8216  2642.11   82.342  2650.13   83.362  2320.48  527.800   52.249   0.8219   48.701   5.5830 3.547993 5.643154 
1 1 1   -2   38    3 o   54.498   2.3376  3273.58   95.732  3310.06   97.961  2499.34  451.330   58.392   0.8642   50.603   4.5947 7.789913 4.675262 
1 1 1   -2   38    4 o   11.849   3.2972  104.110   46.900  110.961   47.256 -344.6459  382.476   10.476   2.3781   13.222   6.1506 -2.745536 6.594316 
1 1 1   -2   38    5 o  201.669   1.4995 39366.38  575.161 38731.14  739.712 40337.63  914.662  199.648   1.9087  203.691   2.3133 -4.043732 2.999036 
1 1 1   -2   38    6 o   95.743   0.9683  8919.05  172.524  8959.90  215.543  8846.21  287.805   96.058   1.1559   95.428   1.5537 0.6295013 1.936511 
1 1 1   -2   38    7 o   66.933   0.7617  4336.72   94.795  4303.56  117.938  4397.24  159.334   66.577   0.9126   67.289   1.2198 -0.7121201 1.523400 
1 1 1   -2   38    8 o  105.253   1.0281 10777.47  201.208 10816.59  251.040 10707.19  336.468  105.534   1.2254  104.971   1.6512 0.5621262 2.056264 
1 1 1   -2   38    9 o   32.322   0.8303  1005.48   51.859  910.487   69.564  1124.31   77.807   30.619   1.1704   34.025   1.1780 -3.405775 1.660596 
1 1 1   -2   38   10 o  112.471   1.2507 12296.67  273.048 12340.97  384.185 12251.46  388.141  112.677   1.7565  112.265   1.7811 0.4116974 2.501477 
1 1 1   -2   38   11 o   49.578   0.7923  2389.18   76.171  2441.66  106.067  2333.29  109.456   50.142   1.0897   49.015   1.1504 1.127014 1.584589 
1 1 1   -2   38   12 o  101.999   1.1580 10113.40  229.278 10189.07  324.494 10037.96  324.003  102.380   1.6328  101.617   1.6425 0.7629623 2.316003 
1 1 1   -2   38   13 o   9.4121   2.1956   82.338   46.600   77.471   66.096   87.149   65.711   9.2305   3.1122   9.5937   3.0979 -0.3631601 4.391237 
1 1 1   -2   38   14 o   47.349   0.8040  2173.88   73.828  2281.89  107.109  2076.12  101.901   48.467   1.1384   46.230   1.1355 2.236839 1.607924 
1 1 1   -2   38   15 o   66.867   0.9051  4344.00  117.460  4381.41  167.962  4308.18  164.325   67.148   1.2886   66.586   1.2713 0.5625000 1.810168 
1 1 1   -2   38   16 o   58.156   0.7765  3293.51   86.128  3328.53  112.148  3243.16  134.475   58.539   0.9869   57.773   1.1991 0.7661018 1.553016 
1 1 1   -2   38   17 o   44.418   0.8015  1921.42   68.560  1952.50   91.802  1882.23  103.094   44.828   1.0550   44.007   1.2068 0.8211479 1.602926 
1 1 1   -2   38   18 o   52.475   0.8055  2674.83   81.152  2667.32  107.083  2684.97  124.383   52.393   1.0529   52.556   1.2192 -0.1628838 1.610908 
1 1 1   -2   38   19 o   49.465   0.8275  2379.06   79.078  2384.59  106.824  2372.35  117.619   49.533   1.1110   49.398   1.2266 0.1348038 1.654960 
1 1 1   -2   38   20 o   79.730   0.9624  6232.47  144.872  6400.34  185.895  5972.82  231.193   81.132   1.1804   78.329   1.5205 2.803093 1.924881 
1 1 1   -2   38   21 o   34.325   0.9962  1139.83   66.130  1019.77   89.713  1282.69   97.862   32.358   1.4283   36.293   1.3891 -3.935818 1.992358 
1 1 1   -2   38   22 o   19.141   1.6701  359.842   61.616  305.589   85.415  418.705   88.969   17.623   2.4968   20.658   2.2186 -3.034924 3.340141 
1 1 1   -2   38   23 o   20.557   1.5825  414.631   62.891  401.362   84.647  430.983   93.963   20.201   2.1586   20.913   2.3146 -0.7116585 3.164909 
1 1 1   -2   38   24 o   10.955   2.3250  114.141   59.125   34.723   83.904  192.476   83.331   8.3323   3.3624   13.578   3.2119 -5.245212 4.650007 
1 1 1   -2   38   25 f   32.627   1.0600  1046.63   66.834  1067.57   90.874  1021.95   98.638   33.002   1.4185   32.252   1.5755 0.7499352 2.120015 
1 1 1   -2   38   26 o   18.628   1.8859  353.369   65.676  281.081   89.414  438.062   96.783   16.378   2.9194   20.877   2.3882 -4.498190 3.771795 
1 1 1   -2   38   27 o   28.662   1.2673  816.373   70.469  780.935   99.241  852.415  100.082   28.023   1.8244   29.302   1.7595 -1.278986 2.534619 
1 1 1   -2   38   28 f   14.773   2.4424  244.667   69.297  199.000   99.764  287.243   96.328   13.280   3.7210   16.266   3.1647 -2.985337 4.884793 
1 1 1   -2   38   29 o   17.251   2.5775  343.478   84.729  279.759  125.891  396.242  114.558   15.283   4.1406   19.218   3.0708 -3.935010 5.155004 
1 1 1   -2   39    1 o   83.979   2.0562  7241.32  172.468  7307.86  179.410  6431.06  626.086   86.756   1.0653   81.202   3.9719 5.554253 4.112317 
1 1 1   -2   39    2 o   18.771   3.8491  216.968   49.477  212.360   49.893  490.223  384.182   14.785   1.7384   22.758   7.4994 -7.972910 7.698234 
1 1 1   -2   39    3 o   81.188   2.0969  6971.78  169.055  7071.11  176.027  5791.89  606.685   85.338   1.0626   77.038   4.0569 8.300545 4.193748 
1 1 1   -2   39    4 o   56.817   2.2885  3397.90   96.939  3420.54   99.035  2880.00  473.670   59.357   0.8595   54.278   4.4956 5.079319 4.577035 
1 1 1   -2   39    5 o  109.542   1.0615 11691.96  217.442 11789.97  273.641 11524.05  358.164  110.180   1.2794  108.904   1.6942 1.275436 2.123044 
1 1 1   -2   39    6 o   42.108   0.6823  1724.43   53.606  1731.99   67.193  1711.18   88.909   42.237   0.8195   41.978   1.0911 0.2589264 1.364577 
1 1 1   -2   39    7 o   92.929   0.9430  8379.33  162.820  8357.92  202.644  8418.35  273.492   92.771   1.1253   93.086   1.5135 -0.3145142 1.886010 
1 1 1   -2   39    8 o  123.882   1.1701 14872.49  270.165 14767.80  337.217 15060.12  451.444  123.296   1.4090  124.468   1.8684 -1.172592 2.340132 
1 1 1   -2   39    9 o  124.023   1.3376 14955.55  322.013 15179.75  455.898 14732.33  454.895  124.952   1.8796  123.094   1.9037 1.857971 2.675262 
1 1 1   -2   39   10 o   27.834   0.9287  750.960   49.840  739.115   66.488  766.152   75.299   27.585   1.2417   28.083   1.3813 -0.4974804 1.857342 
1 1 1   -2   39   11 o   65.314   0.8667  4143.91  109.867  4139.51  153.862  4148.49  156.935   65.279   1.2142   65.349   1.2371 -0.6974792E-01 1.733430 
1 1 1   -2   39   12 o   75.765   0.9555  5578.01  140.526  5632.75  198.500  5523.00  198.968   76.138   1.3430   75.392   1.3595 0.7464600 1.911053 
1 1 1   -2   39   13 o   51.922   0.8122  2618.60   81.850  2562.88  115.240  2675.33  116.274   51.364   1.1558   52.480   1.1414 -1.115231 1.624366 
1 1 1   -2   39   14 o   68.596   0.9119  4568.59  121.325  4655.18  175.942  4490.08  167.525   69.214   1.3095   67.978   1.2695 1.236076 1.823885 
1 1 1   -2   39   15 o   30.144   0.9763  892.750   56.463  754.444   81.218  1022.12   78.549   27.856   1.5020   32.432   1.2477 -4.575808 1.952584 
1 1 1   -2   39   16 o   46.531   0.7714  2104.90   68.379  2110.24   88.636  2097.04  107.465   46.608   0.9797   46.453   1.1918 0.1554337 1.542746 
1 1 1   -2   39   17 o   32.212   0.9327  1010.99   58.105  1038.91   79.480  978.928   85.160   32.693   1.2524   31.730   1.3826 0.9628716 1.865483 
1 1 1   -2   39   18 o   46.761   0.8377  2121.46   75.415  2093.77  100.118  2157.77  114.659   46.413   1.1112   47.109   1.2538 -0.6950836 1.675399 
1 1 1   -2   39   19 o   16.037   1.8444  256.090   55.886  229.142   79.069  282.991   78.999   15.057   2.8086   17.017   2.3916 -1.959888 3.688869 
1 1 1   -2   39   20 o   21.397   1.4570  449.159   60.209  493.478   84.296  403.003   86.026   22.488   1.9311   20.307   2.1823 2.180893 2.914037 
1 1 1   -2   39   21 o   43.841   0.8989  1876.39   76.092  1923.70  103.201  1820.05  112.636   44.456   1.1959   43.226   1.3424 1.230240 1.797790 
1 1 1   -2   39   22 o   34.546   0.9989  1159.89   66.864  1092.81   91.299  1237.47   98.196   33.474   1.4051   35.618   1.4202 -2.144756 1.997818 
1 1 1   -2   39   23 o   20.559   1.5280  407.971   60.193  329.249   79.569  513.294   92.036   18.275   2.2430   22.843   2.0756 -4.568419 3.055992 
1 1 1   -2   39   24 o   29.900   1.1146  877.474   64.374  769.167   90.078  990.528   92.030   27.997   1.6575   31.804   1.4907 -3.807465 2.229201 
1 1 1   -2   39   25 o   8.9601   2.4033   54.095   60.407   4.6336   84.777  105.105   86.094   7.5627   3.2385   10.357   3.5517 -2.794748 4.806509 
1 1 1   -2   39   26 o   16.276   2.0180  275.210   62.090  292.982   86.004  255.864   89.731   17.012   2.6044   15.540   3.0834 1.471519 4.036072 
1 1 1   -2   39   27 o   32.387   1.1671  1048.91   72.720  1137.72   99.509  947.115  106.534   33.927   1.5110   30.848   1.7791 3.079372 2.334123 
1 1 1   -2   39   28 o   17.835   2.1232  338.283   70.902  416.278  103.676  269.756   97.179   20.035   2.6658   15.635   3.3053 4.399955 4.246337 
1 1 1   -2   39   29 o   18.739   2.4420  384.378   83.866  465.198  136.216  335.040  106.429   20.188   3.6084   17.290   3.2913 2.897858 4.883998 
1 1 1   -2   40    1 o   24.478   3.7927  644.334   51.285  646.633   51.743  516.179  386.299   25.806   1.0329   23.150   7.5148 2.655840 7.585417 
1 1 1   -2   40    2 o   60.736   2.1330  3635.71  102.207  3639.80  104.524  3546.42  488.157   61.229   0.8794   60.244   4.1743 0.9851875 4.265924 
1 1 1   -2   40    3 o  140.647   1.8732 19331.76  387.721 19373.85  426.896 19133.47  926.544  141.215   1.5573  140.080   3.4074 1.135193 3.746431 
1 1 1   -2   40    4 o   45.759   2.6801  2214.71   74.786  2224.53   75.846  1870.77  448.886   47.868   0.8163   43.651   5.2976 4.216759 5.360109 
1 1 1   -2   40    5 o   25.758   0.8741  647.027   42.443  655.724   54.119  633.131   68.407   25.986   1.0729   25.530   1.3803 0.4556694 1.748243 
1 1 1   -2   40    6 o   65.834   0.7688  4201.64   93.889  4184.47  116.586  4233.32  158.372   65.648   0.9149   66.021   1.2358 -0.3721695 1.537557 
1 1 1   -2   40    7 f   29.929   0.7648  858.499   43.032  826.320   53.996  914.512   71.238   29.172   0.9535   30.686   1.1960 -1.513597 1.529544 
1 1 1   -2   40    8 o  110.678   1.0826 11979.58  224.733 12209.72  284.838 11600.07  365.768  112.112   1.3088  109.244   1.7248 2.868492 2.165181 
1 1 1   -2   40    9 f   58.059   0.8301  3266.08   93.329  3166.55  126.952  3383.13  137.673   57.100   1.1454   59.018   1.2017 -1.918465 1.660100 
1 1 1   -2   40   10 o   29.069   0.9234  819.989   52.051  801.558   71.684  840.544   75.701   28.724   1.2856   29.413   1.3258 -0.6893730 1.846799 
1 1 1   -2   40   11 o   88.017   1.0507  7527.39  179.476  7439.00  250.768  7620.21  256.981   87.489   1.4766   88.546   1.4951 -1.057755 2.101321 
1 1 1   -2   40   12 o   72.077   0.9352  5041.13  130.752  5235.69  189.247  4863.44  180.861   73.405   1.3281   70.748   1.3169 2.656967 1.870348 
1 1 1   -2   40   13 o   69.305   0.9374  4664.85  126.080  4796.69  180.812  4540.08  175.899   70.258   1.3258   68.353   1.3257 1.905182 1.874859 
1 1 1   -2   40   14 o   56.737   0.8502  3123.16   93.573  3259.84  135.430  2998.31  129.437   57.923   1.2045   55.551   1.2003 2.371876 1.700472 
1 1 1   -2   40   15 o   78.611   1.0097  6008.37  154.040  5988.47  220.087  6027.48  215.671   78.481   1.4447   78.740   1.4110 -0.2582703 2.019405 
1 1 1   -2   40   16 o   26.393   0.9889  677.794   50.329  681.178   67.483  673.553   75.551   26.471   1.3133   26.316   1.4789 0.1542416 1.977875 
1 1 1   -2   40   17 o   24.623   1.1197  589.985   53.511  586.768   74.975  593.325   76.396   24.555   1.5730   24.691   1.5939 -0.1359329 2.239375 
1 1 1   -2   40   18 o   32.143   0.9590  1005.11   59.817  1016.47   83.870  993.349   85.336   32.329   1.3364   31.957   1.3756 0.3716278 1.917916 
1 1 1   -2   40   19 o   42.002   0.8727  1710.46   70.947  1652.10   96.068  1780.47  105.224   41.218   1.2007   42.785   1.2669 -1.566772 1.745492 
1 1 1   -2   40   20 o   39.556   0.9305  1523.02   70.806  1521.93   94.019  1524.46  107.625   39.548   1.2247   39.565   1.4013 -0.1725388E-01 1.861061 
1 1 1   -2   40   21 o   11.336   2.4211  126.065   61.661  185.323   84.783   59.526   89.841   13.400   3.2847   9.2713   3.5578 4.129187 4.842251 
1 1 1   -2   40   22 o   15.987   2.0306  265.964   60.064  315.792   81.180  205.688   89.285   17.902   2.3360   14.071   3.3220 3.830767 4.061147 
1 1 1   -2   40   23 o   32.230   1.0675  1016.10   66.786  1021.73   94.481  1010.47   94.418   32.320   1.5059   32.140   1.5133 0.1799622 2.134953 
1 1 1   -2   40   24 o   10.429   2.4318  101.877   60.406   46.922   85.224  157.358   85.631   8.6429   3.4218   12.214   3.4562 -3.571540 4.863542 
1 1 1   -2   40   25 o   8.3038   2.3681   34.173   60.538  -5.2377   88.231   69.232   83.217   7.4689   3.2514   9.1388   3.4438 -1.669814 4.736167 
1 1 1   -2   40   26 o   19.287   1.7889  379.087   66.332  320.627   93.686  437.852   93.931   17.723   2.7232   20.852   2.3206 -3.128836 3.577858 
1 1 1   -2   40   27 o   24.416   1.5028  601.696   71.090  558.432  100.292  645.386  100.784   23.501   2.1984   25.331   2.0496 -1.829998 3.005671 
1 1 1   -2   40   28 o   9.6106   2.7282   72.179   76.112   79.635  122.429   67.481   97.173   10.025   4.0560   9.1966   3.6497 0.8280239 5.456324 
1 1 1   -2   41    1 o   44.435   2.4626  1646.74   67.043  1633.20   67.797  2244.99  450.647   41.014   0.8515   47.856   4.8511 -6.841232 4.925260 
1 1 1   -2   41    2 o   74.932   2.1738  5956.60  148.360  6026.73  153.398  4941.28  583.694   78.783   1.0031   71.081   4.2302 7.701256 4.347527 
1 1 1   -2   41    3 o  111.131   1.9368 12245.42  268.591 12314.34  286.285 11739.02  776.018  112.597   1.3098  109.664   3.6454 2.933075 3.873538 
1 1 1   -2   41    4 o  122.670   1.9577 15303.50  323.906 15572.68  351.041 13761.49  840.187  126.611   1.4283  118.729   3.6455 7.881844 3.915301 
1 1 1   -2   41    5 o   22.579   0.9719  500.932   41.563  523.657   53.911  467.635   65.258   23.220   1.1960   21.938   1.5324 1.281794 1.943892 
1 1 1   -2   41    6 o   45.689   0.7050  2051.04   59.014  2102.27   72.839  1953.15  100.682   46.533   0.8064   44.845   1.1566 1.688232 1.409937 
1 1 1   -2   41    7 o   77.720   0.8516  5852.22  122.389  5818.92  151.359  5915.12  208.018   77.410   1.0073   78.030   1.3733 -0.6205826 1.703117 
1 1 1   -2   41    8 o   60.231   0.7371  3522.93   81.760  3522.79  100.794  3523.19  139.804   60.234   0.8620   60.227   1.1958 0.7011414E-02 1.474126 
1 1 1   -2   41    9 o  110.440   1.0871 11845.06  221.943 11823.91  274.650 11884.85  376.781  110.321   1.2825  110.559   1.7556 -0.2381592 2.174168 
1 1 1   -2   41   10 o  140.065   1.4406 19094.95  391.446 19906.08  554.557 18289.46  552.625  143.037   1.9972  137.092   2.0766 5.944595 2.881189 
1 1 1   -2   41   11 o   96.123   1.1430  8970.30  213.114  9310.31  308.748  8660.88  294.532   97.860   1.6253   94.387   1.6075 3.473068 2.285982 
1 1 1   -2   41   12 o   7.5374   2.1674   19.846   50.004   34.950   71.630   5.4890   69.837   7.9831   3.1445   7.0918   2.9838 0.8912463 4.334854 
1 1 1   -2   41   13 o   35.183   0.8959  1200.65   61.120  1247.69   89.066  1158.77   84.027   35.833   1.2805   34.533   1.2535 1.299572 1.791878 
1 1 1   -2   41   14 o   32.256   6.2460  1231.27  441.529  268.304  813.863  1632.90  525.598   24.808   10.293   39.704   7.0791 -14.89620 12.49209 
1 1 1   -2   41   15 o   22.656   1.2587  498.124   54.813  600.403   80.119  408.127   75.155   24.840   1.6616   20.472   1.8912 4.367805 2.517423 
1 1 1   -2   41   16 o   76.509   0.9036  5722.85  130.160  5828.03  165.889  5554.39  209.942   77.444   1.1035   75.573   1.4311 1.870354 1.807117 
1 1 1   -2   41   17 o   26.554   1.0749  687.792   55.078  702.326   74.417  670.187   81.905   26.869   1.4267   26.239   1.6080 0.6300392 2.149724 
1 1 1   -2   41   18 o   32.835   0.9774  1048.17   62.131  1039.49   84.678  1058.29   91.445   32.690   1.3344   32.979   1.4284 -0.2888870 1.954751 
1 1 1   -2   41   19 o   19.660   1.6060  379.887   60.691  317.242   85.332  444.017   86.338   18.000   2.4422   21.320   2.0862 -3.320183 3.211935 
1 1 1   -2   41   20 o   44.323   0.8712  1917.43   74.556  1964.05  101.065  1861.77  110.434   44.924   1.1589   43.723   1.3012 1.200672 1.742454 
1 1 1   -2   41   21 o   38.733   0.9544  1464.52   71.455  1485.08   97.113  1440.24  105.516   39.038   1.2815   38.427   1.4145 0.6107559 1.908719 
1 1 1   -2   41   22 o   44.655   0.8913  1940.66   76.666  1911.26  101.905  1978.99  116.376   44.279   1.1856   45.031   1.3313 -0.7522011 1.782694 
1 1 1   -2   41   23 o   14.291   2.2928  214.609   62.501  173.468   88.192  256.121   88.588   12.851   3.4589   15.731   3.0107 -2.879581 4.585684 
1 1 1   -2   41   24 o   9.0237   2.3721   59.534   59.073   3.3379   86.005  109.724   81.279   7.5932   3.2570   10.454   3.4496 -2.861003 4.744267 
1 1 1   -2   41   25 o   13.029   2.4107  183.186   61.689  188.927   85.781  177.037   88.779   13.251   3.3368   12.807   3.4802 0.4438791 4.821451 
1 1 1   -2   41   26 o   21.425   1.5709  462.889   65.264  445.065   93.063  480.139   91.549   20.997   2.2833   21.853   2.1581 -0.8566856 3.141806 
1 1 1   -2   41   27 o   17.687   2.1003  336.944   68.927  261.661   98.171  410.136   96.798   15.384   3.3797   19.990   2.4945 -4.606477 4.200596 
1 1 1   -2   41   28 o   9.0670   2.6526   50.185   78.482 -24.8199  131.308   91.870   97.890   8.3542   3.7794   9.7797   3.7231 -1.425459 5.305189 
1 1 1   -2   42    1 o   94.342   2.0217  8709.02  201.388  8716.41  210.082  8625.21  707.358   94.737   1.1424   93.946   3.8788 0.7910538 4.043489 
1 1 1   -2   42    2 o   49.051   2.9258  2790.99   88.682  2819.43   90.130  1926.92  496.758   53.888   0.8616   44.215   5.7877 9.672443 5.851524 
1 1 1   -2   42    3 o  109.603   1.9212 11789.39  258.201 11815.58  274.256 11585.13  765.890  110.291   1.2810  108.915   3.6226 1.376686 3.842380 
1 1 1   -2   42    4 o   49.228   2.9508  2437.29   79.813  2440.18   80.673  2304.18  548.113   50.133   0.8290   48.324   5.8430 1.808296 5.901560 
1 1 1   -2   42    5 o   83.993   2.0757  7058.05  169.850  7087.32  176.102  6667.61  643.176   85.429   1.0619   82.558   4.0134 2.870872 4.151465 
1 1 1   -2   42    6 o   74.136   0.9474  5339.56  136.283  5351.34  189.942  5327.07  195.652   74.221   1.3183   74.051   1.3611 0.1706161 1.894898 
1 1 1   -2   42    7 o  165.660   1.3968 26556.02  434.744 26163.20  547.700 27225.05  714.770  164.054   1.7199  167.266   2.2014 -3.212097 2.793554 
1 1 1   -2   42    8 o   84.988   0.9135  7016.25  143.213  7013.47  176.854  7021.56  244.085   84.977   1.0721   85.000   1.4793 -0.2275848E-01 1.826970 
1 1 1   -2   42    9 o   51.833   0.8182  2608.49   82.301  2528.99  115.061  2691.77  117.768   51.024   1.1617   52.641   1.1525 -1.616848 1.636379 
1 1 1   -2   42   10 o   21.176   1.1979  437.532   49.024  417.131   71.784  455.364   67.113   20.710   1.7856   21.643   1.5975 -0.9326420 2.395861 
1 1 1   -2   42   11 o   52.689   0.8210  2697.50   83.949  2666.89  119.711  2727.13  117.757   52.394   1.1770   52.984   1.1449 -0.5897026 1.642016 
1 1 1   -2   42   12 o   39.454   0.8233  1511.45   62.917  1378.74   87.731  1651.99   90.282   37.670   1.1997   41.237   1.1278 -3.566727 1.646629 
1 1 1   -2   42   13 o   70.029   0.9507  4766.35  129.232  4795.68  183.294  4737.36  182.234   70.243   1.3442   69.814   1.3447 0.4284134 1.901358 
1 1 1   -2   42   14 o   47.174   0.8579  2161.16   78.494  2036.00  109.484  2293.53  112.595   45.769   1.2323   48.580   1.1940 -2.810482 1.715856 
1 1 1   -2   42   15 o   39.017   0.9082  1479.57   68.755  1418.42   96.561  1542.45   97.921   38.198   1.3023   39.835   1.2663 -1.636860 1.816436 
1 1 1   -2   42   16 o  102.328   1.2591 10147.14  248.556 10651.75  376.472  9757.21  330.935  104.557   1.8549  100.100   1.7031 4.456192 2.518170 
1 1 1   -2   42   17 o   53.303   0.8233  2759.04   83.173  2748.27  106.553  2775.85  133.067   53.179   1.0322   53.428   1.2830 -0.2481575 1.646690 
1 1 1   -2   42   18 o   24.220   1.2532  574.268   58.590  638.833   82.436  508.362   83.287   25.608   1.6584   22.832   1.8792 2.776157 2.506312 
1 1 1   -2   42   19 o   50.178   0.8518  2431.70   82.399  2303.65  109.190  2601.08  125.582   48.661   1.1560   51.696   1.2514 -3.035500 1.703607 
1 1 1   -2   42   20 o   38.761   0.9402  1462.72   70.675  1437.35   97.544  1490.76  102.543   38.410   1.3082   39.112   1.3506 -0.7023354 1.880330 
1 1 1   -2   42   21 o   17.970   1.7382  320.806   60.109  338.626   81.346  299.373   89.211   18.547   2.2594   17.394   2.6421 1.152899 3.476473 
1 1 1   -2   42   22 o   44.389   0.8957  1922.80   77.094  1922.57  106.612  1923.05  111.615   44.392   1.2372   44.386   1.2954 0.5470276E-02 1.791305 
1 1 1   -2   42   23 o   14.047   2.2065  207.508   58.664  188.932   83.160  225.908   82.767   13.380   3.2369   14.714   2.9996 -1.333114 4.413063 
1 1 1   -2   42   24 o   30.561   1.1592  928.532   68.181  1017.59   93.852  829.008   99.216   32.164   1.5032   28.958   1.7650 3.205561 2.318375 
1 1 1   -2   42   25 o   8.9741   2.4803   59.209   62.596   63.311   89.898   55.348   87.212   9.1200   3.5428   8.8283   3.4722 0.2917280 4.960567 
1 1 1   -2   42   26 o   9.1065   2.4882   63.581   64.269   23.966   93.312   99.335   88.648   8.1759   3.4450   10.037   3.5911 -1.861259 4.976348 
1 1 1   -2   42   27 o   20.841   1.7513  449.237   70.475  478.610   97.264  416.770  102.257   21.637   2.3157   20.046   2.6279 1.591583 3.502649 
1 1 1   -2   42   28 o   12.605   2.8681  186.007   79.506  223.689  120.516  156.970  105.793   13.564   4.1713   11.646   3.9374 1.917217 5.736108 
1 1 1   -2   43    1 o   92.674   2.2960  9120.83  216.922  9263.62  226.478  7535.01  754.742   97.661   1.1946   87.688   4.4340 9.972969 4.592094 
1 1 1   -2   43    2 o   70.343   2.3269  4856.12  128.161  4858.76  131.005  4797.06  618.482   70.737   0.9541   69.948   4.5550 0.7892075 4.653814 
1 1 1   -2   43    3 o   71.332   2.4135  5578.88  143.512  5652.93  147.678  4321.77  608.452   76.298   0.9971   66.367   4.7229 9.931229 4.827021 
1 1 1   -2   43    4 o   31.344   4.0368  1081.41   58.864  1084.54   59.333  885.678  469.285   33.421   0.9146   29.268   8.0216 4.152925 8.073550 
1 1 1   -2   43    5 o   73.197   2.5673  5602.61  143.555  5637.11  146.800  4847.95  686.555   76.190   0.9926   70.205   5.0378 5.985123 5.134680 
1 1 1   -2   43    6 o   95.149   0.9804  8802.20  172.776  8814.76  214.453  8778.98  291.664   95.262   1.1597   95.037   1.5810 0.2252121 1.960720 
1 1 1   -2   43    7 o   93.359   0.9782  8486.13  169.255  8525.90  210.401  8413.20  284.923   93.686   1.1569   93.033   1.5777 0.6536865 1.956439 
1 1 1   -2   43    8 o  111.594   1.1009 12159.37  228.273 12295.94  285.126 11915.55  380.965  112.496   1.3057  110.693   1.7730 1.802673 2.201862 
1 1 1   -2   43    9 o  143.560   1.3221 20108.91  355.120 20280.20  447.271 19816.77  584.120  144.433   1.5953  142.688   2.1089 1.745880 2.644292 
1 1 1   -2   43   10 o   31.872   0.9004  995.269   55.228  1110.21   76.628  871.027   79.667   33.806   1.1677   29.938   1.3708 3.867357 1.800774 
1 1 1   -2   43   11 o   78.773   1.0126  6031.69  154.834  5940.13  218.734  6123.64  219.204   78.173   1.4414   79.373   1.4227 -1.199860 2.025284 
1 1 1   -2   43   12 o   8.7622   2.2271   58.053   50.989   11.504   76.024   96.112   68.743   7.5305   3.1368   9.9939   3.1624 -2.463446 4.454290 
1 1 1   -2   43   13 o   12.278   2.1310  153.165   50.379  157.565   72.870  149.136   69.728   12.445   3.0420   12.110   2.9851 0.3346634 4.262005 
1 1 1   -2   43   14 o   45.291   0.8622  1992.76   75.785  2042.91  108.577  1945.11  105.827   45.847   1.2200   44.736   1.2186 1.110741 1.724383 
1 1 1   -2   43   15 o   81.255   1.0704  6404.19  168.475  6718.74  248.415  6136.28  229.257   83.093   1.5401   79.416   1.4871 3.676483 2.140896 
1 1 1   -2   43   16 o   10.466   2.4108  100.149   57.933   61.035   81.113  140.879   82.770   9.0922   3.4051   11.840   3.4136 -2.747952 4.821571 
1 1 1   -2   43   17 o   15.562   1.8866  237.923   55.114  189.816   73.890  298.252   82.746   13.661   2.8772   17.463   2.4409 -3.802272 3.773136 
1 1 1   -2   43   18 o   48.641   1.0853  2300.58  102.475  2300.58  102.475   0.0000   0.0000   48.641   1.0853  ?   ?       ?      ? 
1 1 1   -2   43   19 o   58.315   0.8547  3320.47   95.779  3385.06  127.472  3236.73  145.147   58.981   1.1134   57.648   1.2971 1.332851 1.709370 
1 1 1   -2   43   20 o   36.805   0.9689  1317.08   69.112  1253.01   94.552  1390.59  101.272   35.848   1.3588   37.762   1.3816 -1.913933 1.937772 
1 1 1   -2   43   21 o   34.564   1.0185  1163.86   68.235  1109.05   93.422  1226.54   99.900   33.696   1.4282   35.433   1.4524 -1.736172 2.037018 
1 1 1   -2   43   22 o   31.025   1.1041  936.385   66.214  829.020   89.812  1064.23   98.005   29.084   1.5908   32.965   1.5316 -3.880293 2.208215 
1 1 1   -2   43   23 o   20.344   1.5342  412.307   60.397  448.556   85.351  375.950   85.479   21.264   2.0678   19.424   2.2670 1.839270 3.068385 
1 1 1   -2   43   24 o   13.502   2.2869  193.107   60.545  265.759   88.719  129.778   82.831   15.890   2.9859   11.115   3.4648 4.774734 4.573889 
1 1 1   -2   43   25 o   15.424   2.1988  254.480   64.607  166.081   89.758  349.515   93.067   12.329   3.5549   18.519   2.5888 -6.190273 4.397655 
1 1 1   -2   43   26 o   8.8129   2.4904   46.960   66.542   1.6609   93.306   93.844   94.923   7.6819   3.3439   9.9438   3.6915 -2.261873 4.980836 
1 1 1   -2   43   27 o   6.7138   2.2621 -112.0552   77.630 -77.3195  126.766 -132.8986   98.197   7.5569   3.5239   5.8706   2.8374 1.686314 4.524220 
1 1 1   -2   44    1 o   10.397   3.8114 -16.6367   50.578 -11.3848   50.771 -703.8593  580.774   5.6220   2.4564   15.172   7.2162 -9.549583 7.622805 
1 1 1   -2   44    2 o   24.479   4.3950  734.651   55.497  739.737   55.759  196.320  573.649   27.599   1.0408   21.360   8.7281 6.239138 8.789944 
1 1 1   -2   44    3 o   47.685   3.4192  2768.02   86.051  2793.98   87.124  1734.24  549.758   53.642   0.8367   41.728   6.7871 11.91463 6.838444 
1 1 1   -2   44    4 o   49.635   3.2219  2931.86   90.010  2959.82   91.257  1929.72  546.303   55.211   0.8515   44.060   6.3873 11.15017 6.443849 
1 1 1   -2   44    5 o   22.087   4.3819  425.931   54.542  425.815   54.841  436.483  523.241   20.934   1.3495   23.240   8.6592 -2.305653 8.763706 
1 1 1   -2   44    6 o  100.122   1.0369  9794.67  191.935  9917.00  238.409  9569.34  323.569  101.036   1.2156   99.209   1.6802 1.827553 2.073785 
1 1 1   -2   44    7 o   17.586   1.2515  290.757   42.002  242.777   53.902  364.927   67.017   15.800   1.7574   19.371   1.7822 -3.570760 2.502947 
1 1 1   -2   44    8 f   53.852   0.7322  2814.41   72.829  2809.26   90.032  2824.15  123.879   53.787   0.8623   53.918   1.1836 -0.1309242 1.464396 
1 1 1   -2   44    9 o   24.581   1.0012  583.364   46.199  572.310   58.073  602.420   76.249   24.270   1.2326   24.892   1.5780 -0.6220646 2.002345 
1 1 1   -2   44   10 o   38.670   0.8583  1452.24   64.416  1490.50   92.245  1415.82   89.993   39.167   1.2133   38.173   1.2145 0.9938202 1.716681 
1 1 1   -2   44   11 o   84.491   1.0650  6931.38  174.528  6715.89  240.869  7169.56  253.235   83.111   1.4930   85.870   1.5192 -2.758705 2.130018 
1 1 1   -2   44   12 o   53.811   0.8563  2813.86   89.441  2830.40  127.235  2797.71  125.755   53.967   1.2146   53.655   1.2074 0.3121414 1.712586 
1 1 1   -2   44   13 o   26.420   6.7200  466.756  504.343  1195.33  710.791 -271.9874  715.734   33.233   10.114   19.608   8.8514 13.62457 13.43999 
1 1 1   -2   44   14 o   32.913   1.0143  1053.46   64.657  1056.62   94.777  1050.71   88.429   32.957   1.4815   32.869   1.3859 0.8765793E-01 2.028686 
1 1 1   -2   44   15 o   20.985   1.4719  430.897   59.722  390.249   84.990  470.545   83.938   19.998   2.1893   21.971   1.9681 -1.972427 2.943886 
1 1 1   -2   44   16 o   31.485   1.0482  966.452   63.946  925.072   91.907  1005.28   89.029   30.828   1.5358   32.143   1.4269 -1.315035 2.096352 
1 1 1   -2   44   17 o   65.972   0.8610  4250.66  107.053  4307.48  136.467  4159.77  172.617   66.565   1.0561   65.380   1.3601 1.185555 1.722010 
1 1 1   -2   44   18 o   9.5948   2.3110   75.582   56.408  133.531   76.989   8.4197   82.883   11.474   3.2877   7.7157   3.2487 3.758236 4.621985 
1 1 1   -2   44   19 o   33.663   1.0286  1109.92   66.372  1137.22   87.841  1073.59  101.325   34.161   1.3246   33.165   1.5739 0.9965477 2.057120 
1 1 1   -2   44   20 o   68.169   1.0534  4545.42  139.065  4432.88  202.333  4646.17  191.454   67.352   1.5476   68.987   1.4297 -1.635597 2.106873 
1 1 1   -2   44   21 o   23.052   1.3518  525.914   60.043  578.455   83.183  468.759   86.758   24.284   1.7646   21.821   2.0482 2.463316 2.703524 
1 1 1   -2   44   22 o   9.3296   2.3275   67.141   58.184  -6.1137   84.790  132.332   79.988   7.3687   3.1975   11.290   3.3831 -3.921742 4.655049 
1 1 1   -2   44   23 o   21.348   1.5075  453.147   62.204  513.904   90.210  398.073   85.888   22.732   2.0443   19.965   2.2161 2.767174 3.015062 
1 1 1   -2   44   24 f   8.2906   2.3546   27.340   61.202   84.626   87.152 -28.3971   85.966   9.6694   3.5464   6.9119   3.0983 2.757473 4.709186 
1 1 1   -2   44   25 o   9.1272   2.4556   65.461   61.958  105.194   88.146   26.659   87.108   10.222   3.5887   8.0322   3.3528 2.189876 4.911180 
1 1 1   -2   44   26 o   11.658   2.5227  151.154   64.716  194.938   88.937  101.881   94.346   13.196   3.4376   10.120   3.6932 3.076210 5.045467 
1 1 1   -2   44   27 o   9.5732   2.7423   73.605   78.609   79.804  120.110   68.961  103.968   9.8576   4.0070   9.2889   3.7449 0.5687256 5.484549 
1 1 1   -2   45    1 o   20.501   4.2636  476.049   54.691  481.456   54.890 -266.8133  643.390   22.261   1.2702   18.740   8.4320 3.521267 8.527138 
1 1 1   -2   45    2 o   67.661   2.9669  4609.25  124.364  4616.04  126.087  4365.76  754.879   68.945   0.9421   66.378   5.8585 2.566284 5.933763 
1 1 1   -2   45    3 o   54.959   3.9378  3701.51  106.937  3732.16  108.110  2312.28  727.855   61.995   0.8983   47.922   7.8242 14.07254 7.875648 
1 1 1   -2   45    4 f   48.860   3.2165  2469.45   81.999  2474.46   82.817  2220.01  584.786   50.481   0.8451   47.239   6.3773 3.242340 6.433031 
1 1 1   -2   45    5 o   46.174   3.3224  2289.58   78.267  2297.27   79.045  1904.47  559.278   48.640   0.8372   43.708   6.5918 4.932140 6.644731 
1 1 1   -2   45    6 o   70.486   0.8141  4857.09  106.539  4934.37  133.119  4719.40  177.695   71.280   0.9621   69.693   1.3135 1.587730 1.628125 
1 1 1   -2   45    7 o   62.274   0.7696  3740.67   88.372  3684.47  108.697  3850.24  151.776   61.596   0.9091   62.951   1.2420 -1.355473 1.539179 
1 1 1   -2   45    8 o   30.818   0.8676  947.739   49.897  1030.19   64.126  821.220   79.436   32.568   1.0143   29.068   1.4078 3.499702 1.735154 
1 1 1   -2   45    9 o   46.420   0.7355  2107.25   63.372  2142.59   79.166  2044.21  105.733   46.971   0.8682   45.869   1.1875 1.102055 1.471037 
1 1 1   -2   45   10 o   7.4422   2.0384   15.059   44.220 -25.2570   57.242   74.728   69.638   5.6697   2.5357   9.2147   3.1923 -3.544973 4.076845 
1 1 1   -2   45   11 o   19.003   1.5337  356.692   55.803  303.678   81.402  403.694   76.648   17.645   2.3766   20.361   1.9393 -2.715950 3.067393 
1 1 1   -2   45   12 f   19.971   6.4959 -501.0840  582.314 -276.5780  823.854 -725.2228  823.180   21.120   9.5187   18.822   8.8421 2.298563 12.99185 
1 1 1   -2   45   13 o   43.480   12.606  2198.21  1125.94   0.0000   0.0000  2198.21  1125.94  ?   ?    43.480   12.606      ?      ? 
1 1 1   -2   45   14 o   18.522   1.8149  344.729   61.203  461.297   88.309  236.991   84.899   21.747   2.0918   15.296   2.9663 6.451243 3.629711 
1 1 1   -2   45   15 o   77.919   1.0669  5908.72  161.376  5952.55  228.495  5865.09  227.946   78.208   1.5051   77.630   1.5126 0.5777435 2.133872 
1 1 1   -2   45   16 o   42.881   0.9491  1788.62   78.985  1772.21  110.238  1805.93  113.224   42.680   1.3306   43.082   1.3539 -0.4022484 1.898275 
1 1 1   -2   45   17 o   18.007   1.6071  315.293   55.372  304.916   71.935  330.384   86.744   17.658   2.0987   18.356   2.4344 -0.6987667 3.214119 
1 1 1   -2   45   18 o   28.362   1.1323  788.446   60.919  801.621   78.605  768.630   96.399   28.678   1.4120   28.047   1.7706 0.6303501 2.264670 
1 1 1   -2   45   19 o   12.002   2.4550  147.056   60.359  139.682   82.696  155.464   88.302   11.701   3.4233   12.302   3.5197 -0.6011038 4.909919 
1 1 1   -2   45   20 o   20.053   1.5030  396.310   58.437  382.451   83.662  409.514   81.658   19.702   2.1876   20.404   2.0617 -0.7022057 3.006004 
1 1 1   -2   45   21 o   27.377   1.1820  735.557   62.783  732.096   90.157  738.816   87.481   27.309   1.7007   27.445   1.6421 -0.1355247 2.364045 
1 1 1   -2   45   22 o   12.494   2.3754  164.284   58.718  185.736   87.793  146.921   78.985   13.196   3.4046   11.791   3.3134 1.404988 4.750794 
1 1 1   -2   45   23 o   15.279   2.0749  247.988   59.557  359.964   85.787  143.810   82.746   18.939   2.3334   11.618   3.4316 7.321078 4.149749 
1 1 1   -2   45   24 o   15.120   2.2336  243.840   64.720  303.346   92.251  186.164   90.822   17.203   2.7626   13.038   3.5105 4.164701 4.467119 
1 1 1   -2   45   25 o   13.802   2.4154  212.598   65.404  261.647   91.788  162.005   93.221   15.524   3.1534   12.080   3.6596 3.444792 4.830822 
1 1 1   -2   45   26 o   8.4960   2.4852   37.518   67.408   9.9091   92.702   68.494   98.192   7.7556   3.3544   9.2365   3.6678 -1.480955 4.970387 
1 1 1   -2   46    1 o   43.617   3.4983  1865.20   70.643  1864.92   71.163  1884.26  585.349   43.825   0.8365   43.409   6.9465 0.4151382 6.996680 
1 1 1   -2   46    2 o   46.084   4.1788  2160.54   77.539  2161.21   78.020  2107.05  699.386   47.177   0.8519   44.992   8.3141 2.185246 8.357671 
1 1 1   -2   46    3 o   27.495   4.9750  833.340   57.390  835.688   57.585  488.311  698.047   29.333   1.0113   25.657   9.8985 3.676432 9.949989 
1 1 1   -2   46    4 o   28.715   4.4103  200.820   51.112  191.322   51.249  1975.22  700.469   14.024   1.8826   43.405   8.6174 -29.38147 8.820651 
1 1 1   -2   46    5 o   47.094   3.8931  2548.96   87.394  2562.14   88.277  1900.47  619.359   51.365   0.8853   42.822   7.7356 8.543503 7.786129 
1 1 1   -2   46    6 o   89.725   0.9484  7859.97  157.826  7949.17  196.715  7698.82  264.404   90.460   1.1203   88.991   1.5306 1.469040 1.896749 
1 1 1   -2   46    7 o  120.723   1.1757 14173.91  263.448 14175.30  327.708 14171.37  442.959  120.766   1.3979  120.680   1.8909 0.8650970E-01 2.351499 
1 1 1   -2   46    8 o   86.678   0.9429  7297.57  151.018  7287.75  186.801  7316.09  256.586   86.612   1.1111   86.745   1.5238 -0.1328812 1.885831 
1 1 1   -2   46    9 o   44.613   0.7479  1938.77   61.531  1950.51   76.087  1916.57  104.606   44.815   0.8746   44.411   1.2134 0.4041138 1.495753 
1 1 1   -2   46   10 o   28.892   0.9252  807.327   49.248  798.529   60.580  824.472   84.569   28.668   1.0886   29.116   1.4963 -0.4482613 1.850363 
1 1 1   -2   46   11 o   75.044   1.0043  5475.85  146.268  5457.77  204.582  5494.75  209.202   74.919   1.4067   75.169   1.4337 -0.2506638 2.008584 
1 1 1   -2   46   12 o  102.093   1.2840 10128.67  254.026 10495.28  372.492  9809.92  347.322  103.811   1.8485  100.376   1.7825 3.434799 2.567921 
1 1 1   -2   46   13 o   25.302   1.2619  623.486   61.971  616.750   86.930  630.448   88.369   25.163   1.7797   25.440   1.7894 -0.2774029 2.523753 
1 1 1   -2   46   14 o   24.114   1.2961  567.152   59.928  688.802   86.771  456.204   82.867   26.596   1.6807   21.631   1.9735 4.964874 2.592182 
1 1 1   -2   46   15 o   9.8938   2.0979   56.123   56.923 -72.6551   79.115  194.342   81.964   5.9941   2.7914   13.794   3.1326 -7.799457 4.195791 
1 1 1   -2   46   16 o   43.262   0.9444  1819.55   79.253  1918.69  114.121  1727.20  110.146   44.400   1.3241   42.124   1.3470 2.275879 1.888844 
1 1 1   -2   46   17 o   21.467   1.3602  444.178   55.697  418.051   71.497  484.508   88.828   20.687   1.7804   22.247   2.0570 -1.559717 2.720479 
1 1 1   -2   46   18 o   16.805   1.9006  285.418   59.757  303.272   80.196  263.130   89.602   17.560   2.3527   16.051   2.9856 1.509089 3.801208 
1 1 1   -2   46   19 o   22.086   1.3837  481.836   58.855  416.626   83.804  545.301   82.675   20.584   2.0974   23.589   1.8056 -3.004669 2.767483 
1 1 1   -2   46   20 o   30.111   1.1149  887.004   65.021  970.906   93.425  808.185   90.551   31.499   1.5279   28.723   1.6241 2.775709 2.229832 
1 1 1   -2   46   21 o   30.844   1.1145  933.926   66.718  960.717   95.137  908.000   93.588   31.281   1.5668   30.407   1.5856 0.8745480 2.229077 
1 1 1   -2   46   22 o   17.832   1.8332  328.651   60.802  388.292   85.057  266.328   86.949   19.713   2.2227   15.950   2.9157 3.762973 3.666306 
1 1 1   -2   46   23 o   10.438   2.4741  102.388   63.674  167.116   89.282   35.390   90.835   12.431   3.5332   8.4440   3.4644 3.987011 4.948269 
1 1 1   -2   46   24 f   35.233   1.0939  1229.16   74.666  1243.59  102.751  1213.01  108.686   35.475   1.4921   34.990   1.6002 0.4855881 2.187887 
1 1 1   -2   46   25 o   19.939   1.6982  400.246   65.173  345.501   86.137  473.550   99.674   18.364   2.4163   21.513   2.3868 -3.149122 3.396356 
1 1 1   -2   46   26 o   7.3211   2.3770 -44.9137   76.162 -44.8042  116.868 -44.9945  100.413   7.6105   3.4898   7.0318   3.2282 0.5787339 4.753948 
1 1 1   -2   47    1 o   23.466   4.2865  647.443   58.866  652.588   59.224  226.097  535.949   25.918   1.1772   21.013   8.4917 4.904665 8.572916 
1 1 1   -2   47    2 o   74.275   2.6779  5904.74  153.961  5954.35  157.643  4879.73  716.567   78.296   1.0372   70.254   5.2544 8.042419 5.355764 
1 1 1   -2   47    3 o   23.807   4.9519  412.169   56.872  410.328   57.082  660.139  662.390   20.547   1.4312   27.067   9.7998 -6.519867 9.903780 
1 1 1   -2   47    4 o   47.576   4.8484  2438.67   84.689  2441.66   85.146  2162.90  818.495   50.143   0.8748   45.009   9.6573 5.133907 9.696857 
1 1 1   -2   47    5 o   69.704   3.8289  6004.78  156.589  6079.56  159.082  3674.43  888.070   79.114   1.0359   60.295   7.5875 18.81844 7.657896 
1 1 1   -2   47    6 o   23.999   4.4937  587.974   61.144  589.977   61.513  422.695  558.851   24.640   1.2861   23.358   8.8949 1.281065 8.987389 
1 1 1   -2   47    7 o   86.398   0.9511  7287.90  152.232  7366.60  189.453  7144.50  255.740   87.077   1.1208   85.718   1.5370 1.359383 1.902226 
1 1 1   -2   47    8 o   34.746   0.8635  1205.73   55.502  1295.24   70.258  1057.14   90.522   36.516   0.9912   32.975   1.4142 3.540512 1.726933 
1 1 1   -2   47    9 o   63.856   0.8117  3968.75   95.767  3982.95  118.595  3942.15  162.358   64.033   0.9541   63.680   1.3134 0.3526688 1.623395 
1 1 1   -2   47   10 o   67.654   0.8321  4454.61  104.018  4469.37  128.810  4426.96  176.356   67.829   0.9783   67.480   1.3463 0.3491516 1.664232 
1 1 1   -2   47   11 o   53.172   0.7677  2746.16   75.059  2743.50   92.361  2751.31  128.810   53.145   0.8953   53.200   1.2473 -0.5527115E-01 1.535355 
1 1 1   -2   47   12 o   45.119   0.9081  1977.34   79.485  1922.16  109.973  2037.70  115.015   44.461   1.2742   45.776   1.2943 -1.315414 1.816290 
1 1 1   -2   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   47   14 o   13.244   2.3013  179.379   58.744  175.554   83.657  183.100   82.509   13.105   3.2926   13.383   3.2161 -0.2773476 4.602652 
1 1 1   -2   47   15 o   44.528   0.9244  1920.78   79.704  1808.70  108.132  2054.11  117.943   43.114   1.2920   45.943   1.3225 -2.829033 1.848860 
1 1 1   -2   47   16 o   33.277   1.0511  1079.72   67.759  1085.16   93.068  1073.58   98.844   33.370   1.4367   33.183   1.5345 0.1877251 2.102140 
1 1 1   -2   47   17 o   20.769   1.4445  434.312   56.617  505.935   76.321  346.665   84.428   22.754   1.7279   18.785   2.3154 3.969440 2.889054 
1 1 1   -2   47   18 o   26.224   1.1892  678.930   59.683  716.521   79.445  630.229   90.427   27.084   1.5111   25.363   1.8367 1.721479 2.378385 
1 1 1   -2   47   19 o   33.732   0.9964  1109.31   65.045  1084.24   88.156  1139.26   96.364   33.321   1.3629   34.142   1.4540 -0.8207359 1.992889 
1 1 1   -2   47   20 o   26.681   1.1767  699.658   60.829  649.563   85.909  750.025   86.141   25.711   1.7213   27.650   1.6049 -1.938890 2.353387 
1 1 1   -2   47   21 f   10.204   2.1288   57.763   57.492  223.235   89.469 -58.6248   75.035   14.499   3.2582   5.9096   2.7406 8.589248 4.257593 
1 1 1   -2   47   22 o   13.998   2.1439  198.270   59.822  328.361   90.720   98.183   79.574   18.019   2.5936   9.9760   3.4146 8.043381 4.287901 
1 1 1   -2   47   23 o   22.519   1.4872  507.555   64.962  533.276   93.875  483.920   89.989   23.068   2.0964   21.970   2.1100 1.097935 2.974406 
1 1 1   -2   47   24 f   22.626   1.5571  526.300   67.073  617.675   92.814  426.413   97.040   24.824   1.9261   20.428   2.4472 4.396206 3.114226 
1 1 1   -2   47   25 o   12.067   2.5752  163.714   68.036  218.217   95.467  107.465   96.984   13.865   3.5359   10.268   3.7449 3.597503 5.150449 
1 1 1   -2   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   48    1 o   53.586   3.2437  2976.59   94.756  2983.20   95.794  2676.90  645.500   55.424   0.8904   51.747   6.4261 3.677052 6.487460 
1 1 1   -2   48    2 o   24.488   4.6071  546.036   57.820  545.751   58.115  573.909  574.016   23.699   1.2633   25.277   9.1272 -1.577858 9.214169 
1 1 1   -2   48    3 o  104.312   2.3025 11029.16  256.293 11108.80  268.117 10185.46  872.648  106.917   1.2918  101.706   4.4201 5.211258 4.604973 
1 1 1   -2   48    4 o   28.116   4.5732  539.636   55.572  534.341   55.815  1143.56  596.104   23.450   1.2261   32.782   9.0638 -9.332067 9.146384 
1 1 1   -2   48    5 o   49.632   3.9465  2140.58   82.848  2133.46   83.299  2792.42  797.375   46.869   0.9156   52.396   7.8397 -5.527035 7.893022 
1 1 1   -2   48    6 o   65.643   3.4174  4519.69  125.891  4532.15  127.374  3994.21  827.282   68.308   0.9606   62.979   6.7670 5.328854 6.834792 
1 1 1   -2   48    7 o  120.674   1.2103 14234.96  271.470 14397.18  339.261 13946.20  452.634  121.681   1.4363  119.668   1.9485 2.013214 2.420683 
1 1 1   -2   48    8 o   74.435   0.8873  5340.51  121.258  5249.61  148.394  5523.18  210.357   73.507   1.0400   75.363   1.4379 -1.856216 1.774595 
1 1 1   -2   48    9 o   93.899   1.0204  8587.82  177.089  8619.13  219.386  8529.28  300.010   94.173   1.2001   93.625   1.6507 0.5477295 2.040881 
1 1 1   -2   48   10 o   59.074   0.8124  3361.75   88.714  3295.68  109.305  3489.28  151.856   58.243   0.9668   59.905   1.3059 -1.661991 1.624825 
1 1 1   -2   48   11 o   8.8132   2.1856   53.379   47.452   16.804   60.542  111.637   76.408   6.9366   2.8351   10.690   3.3270 -3.753285 4.371120 
1 1 1   -2   48   12 o   62.071   0.9469  3746.71  114.065  3766.98  163.451  3727.48  159.255   62.233   1.3530   61.909   1.3252 0.3244553 1.893867 
1 1 1   -2   48   13 o   28.737   1.2138  805.711   67.591  780.790   97.590  828.688   93.705   28.306   1.7761   29.169   1.6549 -0.8630142 2.427613 
1 1 1   -2   48   14 o   61.456   0.9521  3675.66  113.581  3631.39  160.609  3719.94  160.648   61.085   1.3545   61.827   1.3385 -0.7421761 1.904285 
1 1 1   -2   48   15 o   60.109   0.9553  3518.36  111.459  3563.86  158.490  3473.83  156.779   60.494   1.3497   59.724   1.3523 0.7693405 1.910578 
1 1 1   -2   48   16 o   20.670   1.5244  418.035   61.022  379.445   84.394  460.317   88.339   19.667   2.2105   21.673   2.0997 -2.005926 3.048806 
1 1 1   -2   48   17 o   22.617   1.3289  485.715   57.330  384.543   74.464  632.970   89.837   19.808   1.9367   25.427   1.8201 -5.619534 2.657707 
1 1 1   -2   48   18 o   12.016   2.2618  149.387   53.497  146.770   72.035  152.606   79.883   11.900   3.0907   12.132   3.3031 -0.2314796 4.523621 
1 1 1   -2   48   19 o   23.757   1.2751  557.389   58.295  580.541   78.513  528.943   87.027   24.331   1.6623   23.183   1.9339 1.148371 2.550121 
1 1 1   -2   48   20 o   15.515   2.0136  247.694   59.128  219.424   83.851  275.655   83.390   14.451   3.0831   16.580   2.5910 -2.128888 4.027275 
1 1 1   -2   48   21 o   15.920   1.9901  261.555   60.205  253.242   85.566  269.706   84.725   15.523   2.9474   16.316   2.6750 -0.7927990 3.980298 
1 1 1   -2   48   22 o   20.378   1.6631  418.818   65.643  392.042   93.545  444.793   92.136   19.706   2.4454   21.051   2.2547 -1.344950 3.326261 
1 1 1   -2   48   23 o   29.625   1.1720  870.859   67.328  867.271   93.055  874.801   97.536   29.576   1.6209   29.675   1.6932 -0.9958076E-01 2.343943 
1 1 1   -2   48   24 o   11.798   2.6009  152.383   67.417  197.977   97.479  110.580   93.340   13.224   3.6686   10.373   3.6877 2.850750 5.201754 
1 1 1   -2   48   25 o   11.021   2.6159  126.758   78.084 -14.9018  123.474  221.167  100.799   8.2567   3.7063   13.786   3.6925 -5.529334 5.231747 
1 1 1   -2   49    1 o   25.220   4.5919  698.359   57.657  701.092   57.931  411.884  593.118   26.863   1.1109   23.577   9.1163 3.286545 9.183728 
1 1 1   -2   49    2 o   52.008   3.1283  2450.82   84.321  2443.03   85.044  2902.34  647.756   50.155   0.8735   53.861   6.1954 -3.706200 6.256689 
1 1 1   -2   49    3 o  115.977   2.3316 13890.08  315.666 14084.35  334.191 12282.08  961.466  120.361   1.4304  111.593   4.4385 8.768211 4.663238 
1 1 1   -2   49    4 o   55.605   3.4606  3440.20  105.749  3458.65  107.028  2681.69  686.226   59.673   0.9240   51.538   6.8593 8.135220 6.921205 
1 1 1   -2   49    5 o   34.637   5.0360  1307.80   66.124  1309.34   66.425  1138.51  696.307   36.715   0.9320   32.560   10.029 4.154408 10.07192 
1 1 1   -2   49    6 o   27.651   5.0051  755.815   63.173  756.239   63.445  706.767  682.123   27.895   1.1717   27.407   9.9414 0.4887047 10.01020 
1 1 1   -2   49    7 o   32.099   0.9520  1001.57   55.776  1001.26   68.127  1002.19   97.132   32.101   1.0933   32.097   1.5589 0.3353119E-02 1.904088 
1 1 1   -2   49    8 o  125.670   1.2991 15450.09  301.388 15614.34  373.602 15144.01  510.007  126.695   1.5191  124.644   2.1078 2.050957 2.598200 
1 1 1   -2   49    9 o   20.410   1.3396  433.672   48.651  492.439   60.650  327.612   81.477   22.501   1.3886   18.319   2.2912 4.181614 2.679158 
1 1 1   -2   49   10 o   69.288   0.8628  4677.33  109.662  4697.92  134.788  4637.00  188.603   69.533   0.9986   69.043   1.4072 0.4901352 1.725537 
1 1 1   -2   49   11 o   22.068   1.2812  470.062   53.139  457.343   66.796  491.988   87.701   21.675   1.5875   22.461   2.0114 -0.7860928 2.562428 
1 1 1   -2   49   12 o   71.969   1.0124  5037.57  141.391  5152.99  203.147  4929.13  196.914   72.767   1.4382   71.171   1.4253 1.596527 2.024796 
1 1 1   -2   49   13 o   20.065   1.6530  396.588   63.885  365.592   93.986  423.209   87.101   19.320   2.5061   20.811   2.1561 -1.491266 3.305949 
1 1 1   -2   49   14 o   37.956   1.0226  1403.60   75.342  1387.02  106.382  1420.28  106.718   37.731   1.4525   38.182   1.4398 -0.4510345 2.045190 
1 1 1   -2   49   15 o   11.592   2.5144  134.004   62.088  147.882   89.128  120.920   86.540   12.074   3.5601   11.110   3.5518 0.9638586 5.028871 
1 1 1   -2   49   16 o   36.483   1.0250  1296.68   72.456  1330.16  106.287  1267.62   99.035   36.918   1.4831   36.049   1.4152 0.8694000 2.050015 
1 1 1   -2   49   17 o   18.278   1.5758  315.081   54.588  241.437   69.894  430.251   87.407   15.647   2.3011   20.908   2.1536 -5.261206 3.151669 
1 1 1   -2   49   18 o   22.892   1.3158  515.532   58.246  524.074   79.373  505.565   85.738   23.110   1.7693   22.673   1.9481 0.4378643 2.631618 
1 1 1   -2   49   19 o   11.467   2.3571  137.048   55.906  155.115   78.924  118.854   79.202   12.140   3.2741   10.794   3.3919 1.345547 4.714295 
1 1 1   -2   49   20 o   34.533   1.0195  1168.25   68.243  1120.03   93.466  1223.30   99.872   33.777   1.4255   35.290   1.4579 -1.513603 2.039003 
1 1 1   -2   49   21 o   17.561   1.9712  325.179   63.739  251.721   92.623  391.257   87.846   15.368   3.2085   19.755   2.2908 -4.387311 3.942364 
1 1 1   -2   49   22 o   10.300   2.4823  104.384   61.642  147.305   86.833   60.778   87.522   11.662   3.5317   8.9374   3.4891 2.724944 4.964536 
1 1 1   -2   49   23 o   16.137   2.2011  280.092   67.257  328.476   95.318  232.115   94.916   17.803   2.7581   14.470   3.4312 3.333222 4.402246 
1 1 1   -2   49   24 o   44.389   1.0073  1957.16   86.107  1988.05  115.341  1918.28  129.418   44.848   1.3249   43.930   1.5176 0.9174995 2.014579 
1 1 1   -2   49   25 o   7.2506   2.3876 -63.8169   78.238 -43.0746  129.616 -75.7066   98.133   8.0057   3.6725   6.4956   3.0520 1.510113 4.775154 
1 1 1   -2   50    1 o   57.698   3.3253  3595.14  109.086  3610.37  110.452  2990.64  695.743   60.965   0.9333   54.430   6.5848 6.535362 6.650645 
1 1 1   -2   50    2 o   48.149   4.8558  3365.31  105.494  3408.29  106.703  1500.76  702.770   59.235   0.9280   37.063   9.6672 22.17179 9.711616 
1 1 1   -2   50    3 o   28.934   4.8629  808.547   65.981  807.886   66.339  869.339  636.043   28.832   1.1853   29.036   9.6533 -0.2043457 9.725793 
1 1 1   -2   50    4 o   30.853   4.6676  1474.34   73.013  1489.82   73.470  242.316  655.569   39.162   0.9665   22.545   9.2850 16.61671 9.335127 
1 1 1   -2   50    5 o   14.325   4.8177  -0.8797   60.388  -2.6363   60.645  204.943  656.445   6.4076   2.7414   22.242   9.2373 -15.83458 9.635469 
1 1 1   -2   50    6 o   60.571   3.8144  3855.56  113.036  3862.72  114.040  3454.30  853.685   63.059   0.9316   58.082   7.5716 4.976902 7.628715 
1 1 1   -2   50    7 o   69.792   0.8529  4789.27  111.154  4944.43  140.535  4530.03  181.654   71.335   1.0149   68.249   1.3711 3.085800 1.705885 
1 1 1   -2   50    8 o   32.743   0.8796  1013.39   54.601  917.500   68.900  1175.27   89.521   30.723   1.1553   34.763   1.3266 -4.040625 1.759147 
1 1 1   -2   50    9 o   40.237   0.8447  1596.32   63.970  1674.44   82.210  1476.42  101.846   41.511   1.0202   38.963   1.3466 2.548618 1.689418 
1 1 1   -2   50   10 o   35.342   0.8772  1201.55   58.737  1157.65   74.663  1272.84   95.146   34.510   1.1145   36.174   1.3550 -1.663387 1.754464 
1 1 1   -2   50   11 o   30.467   0.9934  897.320   56.190  883.341   69.660  923.356   95.068   30.140   1.1906   30.793   1.5904 -0.6529560 1.986705 
1 1 1   -2   50   12 o   60.890   0.8305  3605.41   92.682  3604.54  113.678  3607.15  160.060   60.899   0.9616   60.881   1.3544 0.1870346E-01 1.661037 
1 1 1   -2   50   13 o   46.457   0.9532  2098.27   85.862  2242.91  123.952  1964.84  119.049   47.995   1.3304   44.918   1.3653 3.077396 1.906357 
1 1 1   -2   50   14 o   29.007   1.1835  823.567   66.154  803.600   99.080  839.629   88.862   28.678   1.7798   29.337   1.5604 -0.6584301 2.366976 
1 1 1   -2   50   15 o   16.471   1.9884  275.634   61.165  250.935   92.085  295.135   81.821   15.628   3.1444   17.313   2.4346 -1.685164 3.976701 
1 1 1   -2   50   16 o   23.604   1.3481  550.206   61.314  504.388   89.796  590.229   83.924   22.659   2.0415   24.549   1.7611 -1.890221 2.696177 
1 1 1   -2   50   17 o   21.391   1.4129  457.645   57.556  503.986   77.026  399.059   86.607   22.671   1.7503   20.112   2.2184 2.559467 2.825709 
1 1 1   -2   50   18 f   16.675   1.7472  275.552   55.992  268.351   73.751  285.350   86.028   16.445   2.3103   16.905   2.6216 -0.4597988 3.494306 
1 1 1   -2   50   19 o   22.052   1.3611  485.151   57.709  521.127   78.446  442.716   85.197   22.986   1.7581   21.119   2.0782 1.866634 2.722101 
1 1 1   -2   50   20 o   12.197   2.3780  158.940   58.861  126.359   82.504  192.714   84.001   10.991   3.4631   13.403   3.2599 -2.412611 4.756073 
1 1 1   -2   50   21 o   8.0394   2.3012   11.889   61.227 -64.1262   86.412   88.528   86.766   6.3247   2.9359   9.7541   3.5445 -3.429437 4.602471 
1 1 1   -2   50   22 o   17.166   2.0610  309.880   67.126  287.984   94.002  332.662   95.886   16.379   3.0693   17.953   2.7514 -1.573673 4.121971 
1 1 1   -2   50   23 f   15.530   2.2832  264.548   66.583  242.805   92.510  287.917   95.907   14.815   3.3013   16.246   3.1549 -1.431170 4.566402 
1 1 1   -2   50   24 o   17.752   2.0741  339.355   68.769  420.018  100.366  267.975   94.414   20.035   2.5807   15.469   3.2476 4.565881 4.148147 
1 1 1   -2   51    1 o   38.692   5.5613  1646.46   76.011  1648.08   76.316  1445.01  851.643   41.190   0.9545   36.194   11.082 4.995159 11.12265 
1 1 1   -2   51    2 o   45.991   5.0783  2352.13   88.576  2356.12   89.090  2009.53  825.910   49.250   0.9319   42.733   10.114 6.516533 10.15654 
1 1 1   -2   51    3 o   98.709   3.0540 10938.07  261.232 11118.16  269.743  8218.71  1048.19  106.941   1.2994   90.476   5.9682 16.46511 6.107990 
1 1 1   -2   51    4 o   18.505   4.9080  221.959   62.542  223.669   62.746 -40.6627  777.477   15.145   2.1342   21.864   9.5811 -6.718740 9.815931 
1 1 1   -2   51    5 o   94.124   2.8689  8926.39  220.379  8944.93  225.876  8559.30  1005.07   95.922   1.2131   92.326   5.6080 3.596893 5.737722 
1 1 1   -2   51    6 o   39.178   6.4715  1675.83   79.612  1676.53   79.807  1534.08  1139.66   41.538   0.9898   36.818   12.905 4.720177 12.94301 
1 1 1   -2   51    7 o   24.189   5.5247  497.451   68.670  498.706   68.849  256.635  953.468   22.637   1.5668   25.742   10.938 -3.105179 11.04937 
1 1 1   -2   51    8 o   66.413   0.8429  4298.59  103.260  4322.39  127.701  4253.63  175.508   66.696   0.9863   66.130   1.3672 0.5665359 1.685865 
1 1 1   -2   51    9 o   16.650   1.7667  298.416   49.936  341.957   61.739  216.048   84.915   18.737   1.6975   14.564   3.0989 4.173347 3.533328 
1 1 1   -2   51   10 o   35.863   0.8876  1237.32   59.853  1198.29   75.208  1304.73   98.843   35.109   1.1035   36.617   1.3906 -1.508690 1.775254 
1 1 1   -2   51   11 o   15.406   1.9480  248.207   53.248  272.583   66.348  204.092   89.256   16.705   2.0460   14.107   3.3154 2.598276 3.895911 
1 1 1   -2   51   12 o   32.680   0.9932  1043.27   59.403  1049.36   72.876  1031.23  102.546   32.842   1.1431   32.518   1.6246 0.3242874 1.986428 
1 1 1   -2   51   13 o   36.310   1.0604  1285.86   74.646  1283.65  108.342  1287.85  102.991   36.276   1.5385   36.345   1.4598 -0.6827545E-01 2.120883 
1 1 1   -2   51   14 o   24.236   1.4419  583.363   66.909  510.372   98.860  645.058   90.889   22.795   2.2342   25.677   1.8234 -2.882730 2.883844 
1 1 1   -2   51   15 o   21.230   1.5216  443.306   62.700  448.545   88.310  437.981   89.035   21.360   2.1299   21.101   2.1737 0.2586269 3.043214 
1 1 1   -2   51   16 o   50.328   0.9565  2474.23   93.339  2447.02  134.793  2499.29  129.376   50.054   1.3873   50.602   1.3171 -0.5473099 1.912932 
1 1 1   -2   51   17 o   8.6034   2.3302   54.077   53.927   58.783   70.008   47.208   84.569   8.5388   3.1702   8.6680   3.4159 -0.1291904 4.660318 
1 1 1   -2   51   18 o   13.399   2.1345  187.656   53.809  179.996   71.339  197.764   81.954   13.113   2.8813   13.686   3.1500 -0.5737572 4.269065 
1 1 1   -2   51   19 o   5.6313   1.8925 -100.1827   56.629 -138.9708   78.156 -57.3106   82.167   5.0022   2.4433   6.2604   2.8908 -1.258164 3.785023 
1 1 1   -2   51   20 o   38.030   0.9825  1417.69   72.178  1385.77   96.926  1457.42  108.143   37.570   1.3290   38.489   1.4474 -0.9183159 1.965031 
1 1 1   -2   51   21 o   27.021   1.2978  728.332   67.981  757.265   95.155  698.170   97.155   27.591   1.7766   26.450   1.8922 1.141500 2.595543 
1 1 1   -2   51   22 f   12.114   2.5975  163.192   66.395  152.047   91.856  175.385   96.079   11.724   3.6477   12.504   3.6990 -0.7794170 5.195025 
1 1 1   -2   51   23 o   15.889   2.3283  280.990   69.469  306.301   98.690  256.132   97.803   16.692   3.1615   15.086   3.4188 1.606464 4.656516 
1 1 1   -2   52    1 o   32.807   6.0825  1048.18   67.972  1047.92   68.123  1106.37  1020.80   32.837   1.0687   32.776   12.118 0.6162262E-01 12.16498 
1 1 1   -2   52    2 o   74.567   4.3327  6625.31  173.166  6675.83  175.330  4616.17  1105.62   82.879   1.0898   66.254   8.5966 16.62444 8.665386 
1 1 1   -2   52    3 f   24.354   4.8064  745.677   66.549  752.400   66.750 -366.1279  858.362   27.818   1.2361   20.889   9.5329 6.929552 9.612731 
1 1 1   -2   52    4 o   26.234   5.1811  786.226   64.978  789.943   65.163  135.930  861.868   28.506   1.1776   23.961   10.295 4.545071 10.36227 
1 1 1   -2   52    5 o   23.596   6.0217  430.478   65.126  432.443   65.201 -415.8311  1353.06   21.078   1.5935   26.114   11.937 -5.036140 12.04337 
1 1 1   -2   52    6 o   66.408   6.3280  5142.02  145.821  5151.75  146.594  4225.62  1422.60   72.810   1.0372   60.006   12.613 12.80398 12.65599 
1 1 1   -2   52    7 o   27.844   1.2764  753.970   68.992  753.970   68.992   0.0000   0.0000   27.844   1.2764  ?   ?       ?      ? 
1 1 1   -2   52    8 o   16.228   1.6509  254.100   51.209  239.708   66.077  275.741   81.029   15.668   2.1726   16.789   2.4864 -1.120715 3.301830 
1 1 1   -2   52    9 o   38.388   0.8762  1461.57   61.752  1526.38   76.813  1343.15  103.835   39.629   0.9985   37.147   1.4400 2.482376 1.752310 
1 1 1   -2   52   10 o   15.053   1.8685  205.916   51.239  129.879   63.562  347.030   86.589   11.280   2.8898   18.825   2.3696 -7.544622 3.737084 
1 1 1   -2   52   11 o   34.952   0.9137  1199.67   58.930  1223.46   73.191  1155.82   99.366   35.466   1.0631   34.437   1.4864 1.029255 1.827483 
1 1 1   -2   52   12 o   32.282   1.0039  1002.36   61.010  963.131   76.704  1069.92  100.662   31.448   1.2565   33.115   1.5659 -1.666840 2.007711 
1 1 1   -2   52   13 o   25.877   1.1220  630.657   52.862  590.646   63.558  720.451   95.215   24.616   1.3301   27.138   1.8074 -2.522009 2.244069 
1 1 1   -2   52   14 o   44.721   0.9685  1944.86   83.928  2070.45  123.156  1835.96  114.682   46.063   1.3773   43.379   1.3619 2.684311 1.936965 
1 1 1   -2   52   15 o   22.388   1.4266  494.339   61.756  472.246   90.138  513.884   84.780   21.900   2.1203   22.876   1.9092 -0.9759350 2.853149 
1 1 1   -2   52   16 o   27.895   1.1915  762.193   64.465  807.401   93.046  720.460   89.399   28.692   1.6706   27.098   1.6995 1.593685 2.383096 
1 1 1   -2   52   17 o   26.842   1.1048  703.777   56.990  682.495   74.961  732.925   87.728   26.383   1.4637   27.301   1.6553 -0.9187164 2.209664 
1 1 1   -2   52   18 o   18.479   1.5906  339.030   56.746  322.135   75.702  360.699   85.731   17.975   2.1695   18.983   2.3265 -1.007895 3.181123 
1 1 1   -2   52   19 o   10.146   2.3205  102.565   56.433  153.193   75.168   37.170   85.430   11.974   3.1802   8.3184   3.3801 3.655586 4.641028 
1 1 1   -2   52   20 o   14.641   2.1441  228.290   59.954  271.257   84.044  183.770   85.551   16.296   2.6568   12.985   3.3661 3.310867 4.288237 
1 1 1   -2   52   21 o   18.581   1.8477  356.031   66.116  407.957   94.003  305.197   93.009   20.000   2.4213   17.163   2.7917 2.837425 3.695462 
1 1 1   -2   52   22 o   12.114   2.3346  154.140   66.594  280.906   94.142   27.179   94.215   16.032   3.1374   8.1960   3.4579 7.835732 4.669140 
1 1 1   -2   52   23 o   15.409   2.3863  269.056   69.381  261.510   96.630  277.086   99.680   15.186   3.3663   15.633   3.3830 -0.4465151 4.772503 
1 1 1   -2   53    1 o   35.544   5.8802  1542.11   77.989  1545.98   78.246  958.135  961.675   39.887   1.0106   31.201   11.717 8.686066 11.76032 
1 1 1   -2   53    2 o   37.050   5.8012  2006.76   85.526  2017.17   85.843  604.110  996.254   45.564   0.9706   28.537   11.562 17.02698 11.60232 
1 1 1   -2   53    3 o   25.810   7.3171  263.215  576.671 -238.3164  740.791  1034.57  918.699   19.986   9.0150   31.635   11.528 -11.64902 14.63419 
1 1 1   -2   53    4 o   42.195   5.9194  1400.30   75.069  1394.67   75.256  2531.03  1066.34   37.883   1.0234   46.506   11.794 -8.623184 11.83878 
1 1 1   -2   53    5 o   21.742   5.0061  472.775   63.564  477.158   63.698 -566.7499  981.058   22.142   1.4820   21.343   9.9020 0.7997818 10.01226 
1 1 1   -2   53    6 o   25.623   1.4289  638.927   71.072  638.927   71.072   0.0000   0.0000   25.623   1.4289  ?   ?       ?      ? 
1 1 1   -2   53    7 o   52.163   0.9710  2644.34   98.323  2644.34   98.323   0.0000   0.0000   52.163   0.9710  ?   ?       ?      ? 
1 1 1   -2   53    8 o   63.699   0.8459  3938.92   99.541  3921.40  123.007  3972.16  169.432   63.515   0.9977   63.883   1.3663 -0.3680382 1.691771 
1 1 1   -2   53    9 o   46.521   0.8356  2134.99   72.300  2214.96   91.089  1998.82  118.862   47.732   0.9831   45.309   1.3514 2.422031 1.671168 
1 1 1   -2   53   10 o   15.201   1.8853  228.421   51.855  221.727   64.106  241.092   88.197   15.043   2.1954   15.359   3.0657 -0.3157310 3.770657 
1 1 1   -2   53   11 o   16.713   1.6956  264.704   53.736  231.505   67.712  321.182   88.317   15.358   2.2712   18.067   2.5182 -2.708708 3.391165 
1 1 1   -2   53   12 f   14.213   1.8994  186.125   49.758  136.382   61.323  282.000   85.134   11.520   2.7751   16.907   2.5941 -5.386425 3.798766 
1 1 1   -2   53   13 o   25.957   1.1463  675.958   55.620  734.841   71.676  586.833   88.181   27.445   1.3454   24.470   1.8564 2.975647 2.292687 
1 1 1   -2   53   14 o   21.595   1.5608  458.112   64.797  470.866   99.308  448.656   85.508   21.835   2.3430   21.355   2.0627 0.4797268 3.121565 
1 1 1   -2   53   15 o   20.510   1.5923  415.214   63.324  430.027   92.207  401.991   87.118   20.851   2.2781   20.169   2.2252 0.6824970 3.184518 
1 1 1   -2   53   16 o   22.044   1.5659  498.240   64.383  355.106   93.403  627.814   88.869   18.846   2.5532   25.242   1.8137 -6.396032 3.131815 
1 1 1   -2   53   17 o   8.8986   2.3056   68.500   51.453   68.225   66.781   68.902   80.715   8.7038   3.1166   9.0934   3.3985 -0.3896046 4.611158 
1 1 1   -2   53   18 o   10.677   2.0915   91.681   53.818  -7.3486   70.652  228.575   83.068   6.6536   2.9027   14.701   3.0121 -8.047470 4.183082 
1 1 1   -2   53   19 o   14.743   2.1306  229.548   58.506  217.217   77.522  245.865   89.175   14.323   2.8879   15.163   3.1333 -0.8398628 4.261107 
1 1 1   -2   53   20 f   16.891   2.0118  296.971   63.947  284.546   84.303  313.807   98.132   16.659   2.6069   17.123   3.0649 -0.4635410 4.023667 
1 1 1   -2   53   21 o   17.002   2.0784  315.252   65.112  364.942   87.514  253.641   97.448   18.890   2.3866   15.114   3.4034 3.776233 4.156798 
1 1 1   -2   53   22 o   8.6335   2.4942   43.088   68.211   86.041   95.661  -1.3379   97.288   9.5990   3.6742   7.6680   3.3740 1.931081 4.988325 
1 1 1   -2   54    1 o   16.480   5.5537 -32.0434   64.743 -35.6630   64.931  589.996  851.191   5.8807   2.6593   27.079   10.784 -21.19825 11.10750 
1 1 1   -2   54    2 o   17.621   4.5420  257.609   61.261  262.830   61.424 -727.0716  843.576   16.417   1.9274   18.826   8.8771 -2.408804 9.083899 
1 1 1   -2   54    3 o   40.981   6.4451  2001.69   86.078  2004.27   86.328  1560.25  1130.90   45.414   0.9793   36.547   12.853 8.866833 12.89012 
1 1 1   -2   54    4 o   82.877   4.1568  6897.00  184.138  6894.07  186.002  7040.72  1303.67   84.206   1.1379   81.548   8.2354 2.657784 8.313651 
1 1 1   -2   54    5 o   75.025   1.0736  5472.11  156.352  5472.11  156.352   0.0000   0.0000   75.025   1.0736  ?   ?       ?      ? 
1 1 1   -2   54    6 o   6.2605   2.7338 -12.6657   62.807 -12.6657   62.807   0.0000   0.0000   6.2605   2.7338  ?   ?       ?      ? 
1 1 1   -2   54    7 o   11.381   2.7971  132.361   61.353  132.361   61.353   0.0000   0.0000   11.381   2.7971  ?   ?       ?      ? 
1 1 1   -2   54    8 o   42.762   0.9705  1789.45   79.962  1702.82  118.871  1861.06  108.067   41.801   1.4649   43.722   1.2733 -1.920662 1.940961 
1 1 1   -2   54    9 o   48.204   0.8317  2277.05   73.821  2311.18   91.358  2212.84  125.307   48.750   0.9654   47.657   1.3545 1.093040 1.663324 
1 1 1   -2   54   10 o   34.560   0.9380  1131.85   59.454  1071.05   72.128  1260.70  105.010   33.172   1.1201   35.949   1.5048 -2.776474 1.875937 
1 1 1   -2   54   11 o   22.703   1.2675  486.141   54.407  429.648   68.196  585.062   90.241   20.965   1.6757   24.440   1.9021 -3.474857 2.534931 
1 1 1   -2   54   12 o   33.246   0.9569  1050.65   59.737  976.089   74.389  1186.05  100.242   31.645   1.2110   34.847   1.4819 -3.201366 1.913769 
1 1 1   -2   54   13 o   23.893   1.1481  530.967   51.885  431.638   65.211  702.333   85.653   21.002   1.5995   26.784   1.6474 -5.781378 2.296194 
1 1 1   -2   54   14 o   47.576   0.8308  2226.65   73.513  2275.50   92.215  2141.46  121.765   48.334   0.9828   46.818   1.3398 1.515934 1.661635 
1 1 1   -2   54   15 o   6.4171   2.0961 -64.5011   61.285 -49.3884   87.581 -79.0012   85.787   6.6879   3.0494   6.1462   2.8768 0.5416703 4.192246 
1 1 1   -2   54   16 o   27.235   1.2260  732.373   64.644  667.653   90.978  798.366   91.868   26.001   1.8025   28.469   1.6624 -2.468157 2.452046 
1 1 1   -2   54   17 o   28.139   1.0695  797.600   56.533  867.683   73.442  695.685   88.564   29.750   1.2717   26.529   1.7198 3.220791 2.138901 
1 1 1   -2   54   18 o   17.894   1.7229  319.422   59.198  298.879   77.300  348.558   92.058   17.241   2.3097   18.546   2.5571 -1.305332 3.445759 
1 1 1   -2   54   19 o   8.7726   2.3460   46.626   58.501 -11.3401   78.514  118.973   87.714   6.8692   3.0265   10.676   3.5853 -3.806706 4.691927 
1 1 1   -2   54   20 o   7.6396   2.3319   7.0707   62.098   1.8323   80.640   14.703   97.338   7.1978   3.1208   8.0814   3.4657 -0.8835659 4.663725 
1 1 1   -2   54   21 o   17.266   2.1671  331.770   68.856  403.319   93.658  247.608  101.578   19.778   2.4395   14.754   3.5825 5.023920 4.334210 
1 1 1   -2   54   22 o   18.625   2.0711  374.453   72.955  332.721  101.052  419.883  105.434   17.335   3.1177   19.915   2.7273 -2.580120 4.142270 
1 1 1   -2   55    1 o   34.184   5.6000  1011.11   72.415  1007.27   72.674  1547.36  859.214   32.183   1.1633   36.186   11.139 -4.002930 11.20000 
1 1 1   -2   55    2 o   25.897   5.5751  707.869   70.926  710.998   71.077 -25.7148  1088.15   27.028   1.3547   24.765   11.068 2.262861 11.15012 
1 1 1   -2   55    3 o   28.869   6.0998  785.507   70.774  785.802   70.914  711.180  1126.25   28.417   1.2855   29.320   12.132 -0.9031315 12.19959 
1 1 1   -2   55    4 o   5.6560   2.6140 -54.5742   67.401 -54.5742   67.401   0.0000   0.0000   5.6560   2.6140  ?   ?       ?      ? 
1 1 1   -2   55    5 o   42.296   1.0218  1739.52   83.893  1739.52   83.893   0.0000   0.0000   42.296   1.0218  ?   ?       ?      ? 
1 1 1   -2   55    6 o   70.771   1.0426  4871.27  143.232  4871.27  143.232   0.0000   0.0000   70.771   1.0426  ?   ?       ?      ? 
1 1 1   -2   55    7 o   20.065   1.7833  393.327   69.462  393.327   69.462   0.0000   0.0000   20.065   1.7833  ?   ?       ?      ? 
1 1 1   -2   55    8 o   61.934   1.0047  3731.19  120.784  3731.19  120.784   0.0000   0.0000   61.934   1.0047  ?   ?       ?      ? 
1 1 1   -2   55    9 o   7.7816   2.2102   19.904   55.208   67.375   67.926 -72.4881   94.765   8.8355   3.1454   6.7277   3.1058 2.107797 4.420383 
1 1 1   -2   55   10 f   12.755   2.4800  168.282   65.537  110.007   94.352  222.610   91.099   10.849   3.7181   14.661   3.2827 -3.812034 4.959914 
1 1 1   -2   55   11 o   38.091   0.8804  1414.56   61.626  1414.14   75.808  1415.39  105.818   38.111   1.0247   38.071   1.4319 0.3968811E-01 1.760748 
1 1 1   -2   55   12 o   42.684   0.8346  1779.68   67.458  1791.45   86.525  1761.43  107.722   42.886   1.0393   42.482   1.3063 0.4041443 1.669295 
1 1 1   -2   55   13 o   12.437   2.1450  168.581   53.971  217.087   69.107   92.742   86.412   14.798   2.4058   10.075   3.5518 4.722386 4.289943 
1 1 1   -2   55   14 o   33.706   0.9694  1137.92   60.606  1210.78   76.750  1017.24   98.780   35.219   1.1226   32.192   1.5807 3.026821 1.938789 
1 1 1   -2   55   15 f   8.0416   2.3321   18.558   60.530   65.598   85.778 -28.0975   85.428   9.1461   3.4843   6.9371   3.1005 2.209056 4.664109 
1 1 1   -2   55   16 o   12.491   2.0863  135.057   59.802  312.962   93.698   12.775   77.681   17.550   2.7503   7.4309   3.1378 10.11935 4.172515 
1 1 1   -2   55   17 o   15.094   1.9832  241.517   53.743  253.939   66.865  218.846   90.331   15.934   2.1617   14.253   3.3257 1.681369 3.966499 
1 1 1   -2   55   18 o   25.808   1.2291  660.670   60.185  657.446   77.313  665.627   95.881   25.790   1.5443   25.826   1.9125 -0.3591537E-01 2.458161 
1 1 1   -2   55   19 o   31.056   1.1594  953.545   66.663  942.654   82.537  973.983  113.063   30.908   1.3756   31.204   1.8666 -0.2955112 2.318718 
1 1 1   -2   55   20 o   10.915   2.5443  131.361   63.729  156.018   82.789   95.501   99.840   11.822   3.4156   10.008   3.7719 1.814768 5.088601 
1 1 1   -2   55   21 o   10.327   2.5306   98.121   67.744   19.380   91.987  191.434  100.138   7.8686   3.3716   12.786   3.7746 -4.917020 5.061161 
1 1 1   -2   56    1 o   50.057   6.8717  3836.04  121.016  3853.19  121.540  1859.73  1304.59   62.950   0.9946   37.164   13.707 25.78574 13.74342 
1 1 1   -2   56    2 o   16.531   5.4435  112.790   65.532  114.816   65.645 -475.2188  1118.27   10.649   3.0306   22.413   10.457 -11.76445 10.88691 
1 1 1   -2   56    3 f   28.921   1.2316  814.226   69.143  814.226   69.143   0.0000   0.0000   28.921   1.2316  ?   ?       ?      ? 
1 1 1   -2   56    4 o   62.509   0.9977  3800.10  121.056  3800.10  121.056   0.0000   0.0000   62.509   0.9977  ?   ?       ?      ? 
1 1 1   -2   56    5 f   53.134   0.9857  2745.81  101.671  2745.81  101.671   0.0000   0.0000   53.134   0.9857  ?   ?       ?      ? 
1 1 1   -2   56    6 o   25.222   1.3682  619.978   66.988  619.978   66.988   0.0000   0.0000   25.222   1.3682  ?   ?       ?      ? 
1 1 1   -2   56    7 o   7.5938   2.9468   36.799   62.147   36.799   62.147   0.0000   0.0000   7.5938   2.9468  ?   ?       ?      ? 
1 1 1   -2   56    8 o   18.036   1.7420  318.174   60.989  318.174   60.989   0.0000   0.0000   18.036   1.7420  ?   ?       ?      ? 
1 1 1   -2   56    9 f   13.080   2.1317  179.497   51.839  193.833   63.548  150.980   89.623   14.024   2.3343   12.136   3.5676 1.888008 4.263378 
1 1 1   -2   56   10 o   25.777   1.1683  661.923   54.968  686.373   67.851  615.233   93.762   26.522   1.3179   25.033   1.9295 1.488415 2.336650 
1 1 1   -2   56   11 o   31.373   0.9971  965.182   58.482  974.861   73.627  948.638   96.263   31.616   1.1997   31.131   1.5929 0.4851570 1.994166 
1 1 1   -2   56   12 o   27.340   1.0301  730.506   53.107  727.800   67.483  734.909   86.072   27.299   1.2735   27.380   1.6194 -0.8110237E-01 2.060151 
1 1 1   -2   56   13 o   9.0124   2.2700   71.470   52.732  104.992   66.318   13.838   86.956   10.132   3.0905   7.8925   3.3256 2.239665 4.539914 
1 1 1   -2   56   14 o   23.853   1.2147  538.406   53.694  490.463   65.531  636.344   93.662   22.344   1.5108   25.362   1.9025 -3.017887 2.429410 
1 1 1   -2   56   15 o   21.895   1.5464  477.696   65.546  496.344   96.969  462.007   88.943   22.271   2.2430   21.519   2.1293 0.7521076 3.092723 
1 1 1   -2   56   16 o   19.676   1.7430  394.168   65.735  330.575   94.112  454.749   91.856   18.042   2.6872   21.311   2.2204 -3.269220 3.485923 
1 1 1   -2   56   17 o   21.877   1.4153  495.990   57.092  549.622   73.009  411.568   91.599   23.572   1.5955   20.182   2.3381 3.390261 2.830637 
1 1 1   -2   56   18 o   19.637   1.5847  390.847   59.257  392.952   76.928  387.776   92.923   19.784   2.0031   19.491   2.4560 0.2931614 3.169326 
1 1 1   -2   56   19 o   9.9772   2.5198   91.207   60.977   59.567   77.211  143.647   99.401   8.5218   3.2908   11.433   3.8168 -2.910719 5.039615 
1 1 1   -2   56   20 o   10.753   2.6404  126.544   67.039  132.238   87.245  118.335  104.753   10.899   3.5729   10.608   3.8885 0.2908068 5.280732 
1 1 1   -2   57    1 o   26.747   6.1386  514.984   67.410  512.688   67.540  1109.64  1086.99   22.926   1.5177   30.568   12.183 -7.642467 12.27712 
1 1 1   -2   57    2 o   45.198   0.9856  1987.00   86.475  1987.00   86.475   0.0000   0.0000   45.198   0.9856  ?   ?       ?      ? 
1 1 1   -2   57    3 o   36.411   1.1006  1290.26   77.788  1290.26   77.788   0.0000   0.0000   36.411   1.1006  ?   ?       ?      ? 
1 1 1   -2   57    4 o   16.587   2.0022  269.526   64.465  269.526   64.465   0.0000   0.0000   16.587   2.0022  ?   ?       ?      ? 
1 1 1   -2   57    5 o   5.2108   2.4626 -74.4941   65.572 -74.4941   65.572   0.0000   0.0000   5.2108   2.4626  ?   ?       ?      ? 
1 1 1   -2   57    6 o   49.121   0.9895  2347.87   94.355  2347.87   94.355   0.0000   0.0000   49.121   0.9895  ?   ?       ?      ? 
1 1 1   -2   57    7 o   25.982   1.4002  658.834   70.621  658.834   70.621   0.0000   0.0000   25.982   1.4002  ?   ?       ?      ? 
1 1 1   -2   57    8 o   13.729   2.5575  192.249   65.652  192.249   65.652   0.0000   0.0000   13.729   2.5575  ?   ?       ?      ? 
1 1 1   -2   57    9 o   26.227   1.1160  662.006   55.303  627.823   69.777  719.753   90.694   25.351   1.4179   27.102   1.7239 -1.750969 2.232096 
1 1 1   -2   57   10 o   20.135   1.4335  382.831   53.766  345.286   65.966  457.130   92.798   18.754   1.8121   21.516   2.2218 -2.762972 2.867044 
1 1 1   -2   57   11 o   15.013   1.8673  220.284   50.454  203.526   61.446  254.961   88.393   14.341   2.2072   15.685   3.0126 -1.343748 3.734677 
1 1 1   -2   57   12 o   12.625   2.0236  153.548   51.429   78.843   67.068  260.177   80.127   9.1270   3.1345   16.123   2.5601 -6.996083 4.047121 
1 1 1   -2   57   13 o   33.054   0.9493  1055.28   57.494  1025.11   70.057  1117.52  100.622   32.390   1.1142   33.717   1.5374 -1.326820 1.898685 
1 1 1   -2   57   14 o   25.894   1.1717  661.960   57.655  662.505   74.373  661.139   91.270   25.952   1.4763   25.836   1.8199 0.1158752 2.343365 
1 1 1   -2   57   15 o   21.434   1.3858  436.305   55.574  385.231   68.477  534.862   95.124   19.722   1.7887   23.146   2.1172 -3.423788 2.771598 
1 1 1   -2   57   16 o   20.282   1.7437  416.497   68.189  483.189   98.772  355.767   94.254   21.879   2.3257   18.684   2.5987 3.194324 3.487407 
1 1 1   -2   57   17 o   12.729   2.2352  173.388   53.904  161.327   68.720  192.677   86.907   12.232   2.9323   13.225   3.3742 -0.9934921 4.470323 
1 1 1   -2   57   18 o   9.9478   2.4045  104.742   58.024  134.635   70.728   43.209  101.475   11.097   3.1414   8.7984   3.6411 2.298881 4.808934 
1 1 1   -2   57   19 o   11.773   2.4039  140.490   62.013   65.670   80.852  247.390   96.644   8.7376   3.3694   14.808   3.4296 -6.070353 4.807771 
1 1 1   -2   57   20 o   12.119   2.5967  168.188   67.075  132.493   91.370  209.906   98.779   10.854   3.6592   13.384   3.6852 -2.529715 5.193313 
1 1 1   -2   58    1 o   34.138   1.1546  1134.98   76.511  1134.98   76.511   0.0000   0.0000   34.138   1.1546  ?   ?       ?      ? 
1 1 1   -2   58    2 o   45.413   1.0011  2006.94   88.251  2006.94   88.251   0.0000   0.0000   45.413   1.0011  ?   ?       ?      ? 
1 1 1   -2   58    3 o   24.717   1.3484  595.845   64.696  595.845   64.696   0.0000   0.0000   24.717   1.3484  ?   ?       ?      ? 
1 1 1   -2   58    4 f   22.025   1.5577  474.024   66.602  474.024   66.602   0.0000   0.0000   22.025   1.5577  ?   ?       ?      ? 
1 1 1   -2   58    5 o   18.014   1.8269  318.023   63.884  318.023   63.884   0.0000   0.0000   18.014   1.8269  ?   ?       ?      ? 
1 1 1   -2   58    6 o   15.927   2.0054  249.231   61.999  249.231   61.999   0.0000   0.0000   15.927   2.0054  ?   ?       ?      ? 
1 1 1   -2   58    7 o   29.110   1.2373  826.488   69.917  826.488   69.917   0.0000   0.0000   29.110   1.2373  ?   ?       ?      ? 
1 1 1   -2   58    8 o   19.872   1.6609  386.881   64.067  386.881   64.067   0.0000   0.0000   19.872   1.6609  ?   ?       ?      ? 
1 1 1   -2   58    9 o   28.992   1.2345  820.511   69.476  820.511   69.476   0.0000   0.0000   28.992   1.2345  ?   ?       ?      ? 
1 1 1   -2   58   10 o   25.173   1.1853  635.253   54.656  664.079   67.890  582.156   92.140   26.056   1.3423   24.290   1.9541 1.765203 2.370685 
1 1 1   -2   58   11 o   13.669   2.1038  197.082   53.748  210.781   68.079  174.415   87.572   14.528   2.4140   12.809   3.4464 1.719109 4.207679 
1 1 1   -2   58   12 o   6.2952   1.9806 -20.4922   48.644  -0.3044   61.838 -53.2600   78.784   6.4129   2.7566   6.1775   2.8447 0.2353926 3.961163 
1 1 1   -2   58   13 o   28.834   1.1087  806.557   60.178  769.515   75.567  870.772   99.497   27.989   1.3908   29.679   1.7270 -1.689137 2.217439 
1 1 1   -2   58   14 o   17.734   1.6255  325.313   51.320  342.623   62.436  289.260   90.107   18.611   1.7283   16.858   2.7536 1.753027 3.251001 
1 1 1   -2   58   15 o   14.586   2.0852  239.632   55.125  278.995   69.115  170.811   91.388   16.676   2.1350   12.496   3.5824 4.180158 4.170326 
1 1 1   -2   58   16 f   8.8959   2.4717   56.607   63.332   28.622   88.628   85.808   90.533   8.1229   3.3855   9.6688   3.6020 -1.545878 4.943319 
1 1 1   -2   58   17 o   12.846   2.2607  155.440   57.432   81.959   70.604  299.160   98.742   9.1112   3.2107   16.582   3.1834 -7.470470 4.521375 
1 1 1   -2   58   18 o   20.794   1.6437  446.659   63.812  456.371   80.674  430.426  104.296   21.262   1.9546   20.326   2.6433 0.9354839 3.287474 
1 1 1   -2   58   19 o   12.491   2.4742  158.413   64.956   83.059   81.837  286.719  106.787   9.2090   3.4259   15.773   3.5707 -6.564321 4.948409 
1 1 1   -2   59    1 f   14.461   2.4016  206.551   67.419  206.551   67.419   0.0000   0.0000   14.461   2.4016  ?   ?       ?      ? 
1 1 1   -2   59    2 o   27.203   1.3213  722.081   69.772  722.081   69.772   0.0000   0.0000   27.203   1.3213  ?   ?       ?      ? 
1 1 1   -2   59    3 o   25.059   1.3754  613.107   66.906  613.107   66.906   0.0000   0.0000   25.059   1.3754  ?   ?       ?      ? 
1 1 1   -2   59    4 f   22.026   1.5242  474.373   65.170  474.373   65.170   0.0000   0.0000   22.026   1.5242  ?   ?       ?      ? 
1 1 1   -2   59    5 o   28.572   1.2865  796.705   71.353  796.705   71.353   0.0000   0.0000   28.572   1.2865  ?   ?       ?      ? 
1 1 1   -2   59    6 o   10.389   3.1100  109.786   67.618  109.786   67.618   0.0000   0.0000   10.389   3.1100  ?   ?       ?      ? 
1 1 1   -2   59    7 o   32.242   1.2208  1014.61   76.407  1014.61   76.407   0.0000   0.0000   32.242   1.2208  ?   ?       ?      ? 
1 1 1   -2   59    8 o   48.401   1.0044  2283.37   94.367  2283.37   94.367   0.0000   0.0000   48.401   1.0044  ?   ?       ?      ? 
1 1 1   -2   59    9 o   39.591   1.0822  1529.73   83.169  1529.73   83.169   0.0000   0.0000   39.591   1.0822  ?   ?       ?      ? 
1 1 1   -2   59   10 o   41.467   0.8673  1686.51   65.619  1695.47   80.275  1668.47  113.919   41.689   0.9920   41.245   1.4229 0.4442406 1.734512 
1 1 1   -2   59   11 o   12.012   2.2830  148.182   52.795  131.515   65.953  177.915   88.087   11.156   2.9863   12.869   3.4540 -1.712606 4.565980 
1 1 1   -2   59   12 o   25.955   1.3371  680.810   65.926  588.467   99.548  752.949   87.987   24.288   2.1114   27.622   1.6410 -3.333790 2.674133 
1 1 1   -2   59   13 f   7.6777   2.2295   28.887   51.895   44.373   62.668  -4.9021   92.569   7.7237   2.9697   7.6317   3.3261 0.9198999E-01 4.458931 
1 1 1   -2   59   14 o   13.699   2.1084  200.199   53.278  199.551   67.767  201.246   86.215   13.790   2.6276   13.609   3.2980 0.1804600 4.216788 
1 1 1   -2   59   15 o   29.979   1.1310  866.569   62.582  815.953   76.417  969.650  109.052   28.771   1.3683   31.188   1.8013 -2.417589 2.262019 
1 1 1   -2   59   16 o   20.649   1.5275  437.629   55.784  447.328   66.965  415.640  100.833   21.212   1.6263   20.086   2.5861 1.126276 3.054999 
1 1 1   -2   59   17 o   21.849   1.5696  499.866   61.401  524.838   75.049  449.317  106.779   22.920   1.6868   20.778   2.6474 2.142071 3.139121 
1 1 1   -2   59   18 o   12.422   2.3832  186.332   64.906  256.476   83.681   80.410  102.832   15.303   2.9236   9.5402   3.7645 5.762684 4.766441 
1 1 1   -2   60    1 o   16.350   2.0339  263.170   64.550  263.170   64.550   0.0000   0.0000   16.350   2.0339  ?   ?       ?      ? 
1 1 1   -2   60    2 o   29.940   1.2214  874.598   70.986  874.598   70.986   0.0000   0.0000   29.940   1.2214  ?   ?       ?      ? 
1 1 1   -2   60    3 o   22.532   1.5628  497.079   68.355  497.079   68.355   0.0000   0.0000   22.532   1.5628  ?   ?       ?      ? 
1 1 1   -2   60    4 o   18.204   1.8647  325.835   65.893  325.835   65.893   0.0000   0.0000   18.204   1.8647  ?   ?       ?      ? 
1 1 1   -2   60    5 o   43.732   0.9995  1863.59   84.846  1863.59   84.846   0.0000   0.0000   43.732   0.9995  ?   ?       ?      ? 
1 1 1   -2   60    6 o   10.737   2.8630  119.893   60.762  119.893   60.762   0.0000   0.0000   10.737   2.8630  ?   ?       ?      ? 
1 1 1   -2   60    7 o   30.595   1.1753  914.449   69.801  914.449   69.801   0.0000   0.0000   30.595   1.1753  ?   ?       ?      ? 
1 1 1   -2   60    8 o   53.480   0.9503  2788.80   98.652  2788.80   98.652   0.0000   0.0000   53.480   0.9503  ?   ?       ?      ? 
1 1 1   -2   60    9 o   18.003   1.9423  321.216   67.879  321.216   67.879   0.0000   0.0000   18.003   1.9423  ?   ?       ?      ? 
1 1 1   -2   60   10 f   7.6528   2.0411   10.500   52.936  100.732   67.400 -134.7785   85.522   9.9049   3.1311   5.4007   2.6193 4.504162 4.082201 
1 1 1   -2   60   11 o   25.329   1.2466  655.723   57.319  701.808   71.166  570.624   96.707   26.734   1.3714   23.925   2.0823 2.808300 2.493293 
1 1 1   -2   60   12 o   10.711   2.3308  111.433   52.982   77.668   67.182  166.982   86.170   9.0017   3.1345   12.420   3.4505 -3.418365 4.661698 
1 1 1   -2   60   13 o   15.324   1.9856  209.177   55.458  105.863   67.128  431.289   98.427   10.038   3.1175   20.611   2.4601 -10.57366 3.971254 
1 1 1   -2   60   14 o   10.030   2.3229  105.197   55.991  147.061   71.857   40.496   89.332   11.634   3.1183   8.4255   3.4437 3.208889 4.645772 
1 1 1   -2   60   15 o   8.0429   2.3317   37.891   54.297   42.181   64.235   27.156  101.617   7.6172   2.9848   8.4687   3.5831 -0.8515372 4.663431 
1 1 1   -2   60   16 o   13.459   2.3496  197.057   58.412  185.820   71.420  219.757  101.512   13.070   2.8917   13.848   3.7041 -0.7783670 4.699163 
1 1 1   -2   60   17 o   9.1553   2.3556   84.599   52.069   94.797   60.913   56.931  100.331   9.3746   2.9780   8.9359   3.6507 0.4387703 4.711256 
1 1 1   -2   61    1 o   23.711   1.4781  550.822   68.034  550.822   68.034   0.0000   0.0000   23.711   1.4781  ?   ?       ?      ? 
1 1 1   -2   61    2 o   23.841   1.4886  557.033   68.893  557.033   68.893   0.0000   0.0000   23.841   1.4886  ?   ?       ?      ? 
1 1 1   -2   61    3 f   6.2503   2.7294  -9.5822   62.603  -9.5822   62.603   0.0000   0.0000   6.2503   2.7294  ?   ?       ?      ? 
1 1 1   -2   61    4 o   16.026   1.9384  253.715   60.304  253.715   60.304   0.0000   0.0000   16.026   1.9384  ?   ?       ?      ? 
1 1 1   -2   61    5 o   7.6057   2.9891   36.864   64.590   36.864   64.590   0.0000   0.0000   7.6057   2.9891  ?   ?       ?      ? 
1 1 1   -2   61    6 o   18.273   1.8664  329.993   66.204  329.993   66.204   0.0000   0.0000   18.273   1.8664  ?   ?       ?      ? 
1 1 1   -2   61    7 o   7.8074   3.0407   41.900   66.356   41.900   66.356   0.0000   0.0000   7.8074   3.0407  ?   ?       ?      ? 
1 1 1   -2   61    8 o   16.673   2.1317  277.242   68.992  277.242   68.992   0.0000   0.0000   16.673   2.1317  ?   ?       ?      ? 
1 1 1   -2   61    9 o   14.692   2.2661  216.228   64.632  216.228   64.632   0.0000   0.0000   14.692   2.2661  ?   ?       ?      ? 
1 1 1   -2   61   10 o   12.601   2.8085  167.618   66.941  167.618   66.941   0.0000   0.0000   12.601   2.8085  ?   ?       ?      ? 
1 1 1   -2   61   11 o   27.645   1.2167  774.727   61.442  814.018   76.284  702.161  103.671   28.771   1.3659   26.520   2.0138 2.251425 2.433336 
1 1 1   -2   61   12 o   8.5828   2.3448   54.306   53.435   42.320   66.353   76.424   90.134   7.7415   3.0336   9.4241   3.5762 -1.682576 4.689511 
1 1 1   -2   61   13 o   6.9115   2.1556 -13.0348   57.159   23.924   68.583 -97.0904  103.429   7.2648   2.9988   6.5581   3.0973 0.7066813 4.311167 
1 1 1   -2   61   14 o   7.5126   2.2658   6.7857   52.537  -9.5476   61.629   50.216  100.495   6.0902   2.6824   8.9350   3.6523 -2.844787 4.531550 
1 1 1   -2   61   15 f   14.247   2.2146  222.556   57.561  227.036   70.250  213.406  100.408   14.847   2.4374   13.647   3.6981 1.200473 4.429138 
1 1 1   -2   61   16 o   13.566   2.2721  220.492   59.415  258.818   72.963  145.051  102.367   15.813   2.3769   11.318   3.8729 4.495120 4.544105 
1 1 1   -2   62    1 o   40.884   1.0392  1631.49   82.477  1631.49   82.477   0.0000   0.0000   40.884   1.0392  ?   ?       ?      ? 
1 1 1   -2   62    2 o   28.387   1.2422  788.487   68.447  788.487   68.447   0.0000   0.0000   28.387   1.2422  ?   ?       ?      ? 
1 1 1   -2   62    3 o   38.177   1.0288  1422.77   76.244  1422.77   76.244   0.0000   0.0000   38.177   1.0288  ?   ?       ?      ? 
1 1 1   -2   62    4 o   6.0644   2.6887 -17.2625   62.922 -17.2625   62.922   0.0000   0.0000   6.0644   2.6887  ?   ?       ?      ? 
1 1 1   -2   62    5 o   8.2144   3.0723   55.140   65.992   55.140   65.992   0.0000   0.0000   8.2144   3.0723  ?   ?       ?      ? 
1 1 1   -2   62    6 o   8.5788   3.1012   65.772   66.297   65.772   66.297   0.0000   0.0000   8.5788   3.1012  ?   ?       ?      ? 
1 1 1   -2   62    7 o   21.537   1.5908  457.321   66.509  457.321   66.509   0.0000   0.0000   21.537   1.5908  ?   ?       ?      ? 
1 1 1   -2   62    8 o   19.774   1.8572  387.798   71.288  387.798   71.288   0.0000   0.0000   19.774   1.8572  ?   ?       ?      ? 
1 1 1   -2   62    9 o   42.323   1.0490  1751.62   86.181  1751.62   86.181   0.0000   0.0000   42.323   1.0490  ?   ?       ?      ? 
1 1 1   -2   62   10 o   26.038   1.4648  668.568   74.036  668.568   74.036   0.0000   0.0000   26.038   1.4648  ?   ?       ?      ? 
1 1 1   -2   62   11 o   8.3169   2.3641   35.503   54.791   16.052   65.851   79.264   98.774   6.9546   2.9101   9.6793   3.7265 -2.724679 4.728127 
1 1 1   -2   62   12 o   21.531   1.4977  480.942   58.549  510.654   72.623  425.771   98.962   22.669   1.6504   20.394   2.4998 2.274942 2.995469 
1 1 1   -2   62   13 o   9.3150   2.4717   77.750   55.665   77.236   64.847   79.189  108.516   8.8297   3.0793   9.8003   3.8671 -0.9705610 4.943348 
1 1 1   -2   62   14 o   11.131   2.5542  130.669   60.569  113.213   74.443  164.857  104.181   10.225   3.2968   12.037   3.9022 -1.811678 5.108428 
1 1 1   -2   62   15 o   12.130   2.3965  176.093   60.091  208.040   74.497  116.598  101.665   13.777   2.8784   10.484   3.8326 3.293456 4.793091 
1 1 1   -2   63    1 o   8.5750   3.0669   66.858   64.648   66.858   64.648   0.0000   0.0000   8.5750   3.0669  ?   ?       ?      ? 
1 1 1   -2   63    2 o   28.576   1.3050  800.958   72.392  800.958   72.392   0.0000   0.0000   28.576   1.3050  ?   ?       ?      ? 
1 1 1   -2   63    3 o   22.252   1.5640  487.909   67.555  487.909   67.555   0.0000   0.0000   22.252   1.5640  ?   ?       ?      ? 
1 1 1   -2   63    4 o   19.883   1.7298  390.855   66.765  390.855   66.765   0.0000   0.0000   19.883   1.7298  ?   ?       ?      ? 
1 1 1   -2   63    5 o   5.0465   2.4005 -76.4779   64.293 -76.4779   64.293   0.0000   0.0000   5.0465   2.4005  ?   ?       ?      ? 
1 1 1   -2   63    6 o   24.741   1.4889  602.636   71.508  602.636   71.508   0.0000   0.0000   24.741   1.4889  ?   ?       ?      ? 
1 1 1   -2   63    7 o   21.580   1.6445  460.427   68.892  460.427   68.892   0.0000   0.0000   21.580   1.6445  ?   ?       ?      ? 
1 1 1   -2   63    8 o   37.900   1.1425  1407.60   84.059  1407.60   84.059   0.0000   0.0000   37.900   1.1425  ?   ?       ?      ? 
1 1 1   -2   63    9 o   39.925   1.0052  1559.52   77.906  1559.52   77.906   0.0000   0.0000   39.925   1.0052  ?   ?       ?      ? 
1 1 1   -2   63   10 o   26.214   1.4094  678.160   71.719  678.160   71.719   0.0000   0.0000   26.214   1.4094  ?   ?       ?      ? 
1 1 1   -2   63   11 f   10.736   2.4442  111.130   56.355   78.020   69.347  175.516   96.704   8.9602   3.1794   12.511   3.7132 -3.551257 4.888418 
1 1 1   -2   63   12 o   18.932   1.7061  375.440   57.691  390.039   70.170  344.990  101.343   19.727   1.8324   18.137   2.8785 1.590200 3.412272 
1 1 1   -2   63   13 o   18.849   2.0843  424.524   63.355  491.685   76.634  279.505  112.610   22.134   1.7836   15.564   3.7677 6.570519 4.168571 
1 1 1   -2   63   14 o   16.439   2.0541  285.411   58.494  274.981   69.624  310.434  107.847   16.368   2.1912   16.510   3.4751 -0.1412067 4.108256 
1 1 1   -2   64    1 o   18.296   1.9133  332.617   67.952  332.617   67.952   0.0000   0.0000   18.296   1.9133  ?   ?       ?      ? 
1 1 1   -2   64    2 o   6.8035   2.8729   9.8184   65.119   9.8184   65.119   0.0000   0.0000   6.8035   2.8729  ?   ?       ?      ? 
1 1 1   -2   64    3 o   18.436   1.8761  337.701   67.139  337.701   67.139   0.0000   0.0000   18.436   1.8761  ?   ?       ?      ? 
1 1 1   -2   64    4 o   16.983   2.0090  287.769   66.228  287.769   66.228   0.0000   0.0000   16.983   2.0090  ?   ?       ?      ? 
1 1 1   -2   64    5 o   21.252   1.6697  447.211   68.882  447.211   68.882   0.0000   0.0000   21.252   1.6697  ?   ?       ?      ? 
1 1 1   -2   64    6 o   15.084   2.2400  229.248   65.588  229.248   65.588   0.0000   0.0000   15.084   2.2400  ?   ?       ?      ? 
1 1 1   -2   64    7 o   4.4305   2.1708 -117.5742   63.143 -117.5742   63.143   0.0000   0.0000   4.4305   2.1708  ?   ?       ?      ? 
1 1 1   -2   64    8 o   43.791   1.0402  1878.17   88.420  1878.17   88.420   0.0000   0.0000   43.791   1.0402  ?   ?       ?      ? 
1 1 1   -2   64    9 o   9.4652   3.2190   91.316   70.716   91.316   70.716   0.0000   0.0000   9.4652   3.2190  ?   ?       ?      ? 
1 1 1   -2   64   10 o   13.366   2.7930  191.820   70.131  191.820   70.131   0.0000   0.0000   13.366   2.7930  ?   ?       ?      ? 
1 1 1   -2   64   11 o   21.847   1.5548  474.568   65.937  474.568   65.937   0.0000   0.0000   21.847   1.5548  ?   ?       ?      ? 
1 1 1   -2   64   12 o   14.032   2.3644  214.071   60.635  197.469   73.964  248.096  105.884   13.427   2.9209   14.638   3.7190 -1.211280 4.728900 
1 1 1   -2   64   13 o   19.145   1.8659  396.242   58.603  405.544   68.760  371.547  112.035   20.065   1.7653   18.225   3.2878 1.840408 3.731741 
1 1 1   -2   65    1 o   18.126   1.9394  328.083   68.240  328.083   68.240   0.0000   0.0000   18.126   1.9394  ?   ?       ?      ? 
1 1 1   -2   65    2 o   13.417   2.6126  189.335   65.597  189.335   65.597   0.0000   0.0000   13.417   2.6126  ?   ?       ?      ? 
1 1 1   -2   65    3 o   26.954   1.3061  714.599   68.341  714.599   68.341   0.0000   0.0000   26.954   1.3061  ?   ?       ?      ? 
1 1 1   -2   65    4 o   14.181   2.5362  210.505   67.251  210.505   67.251   0.0000   0.0000   14.181   2.5362  ?   ?       ?      ? 
1 1 1   -2   65    5 o   6.9330   2.9509   9.1385   69.615   9.1385   69.615   0.0000   0.0000   6.9330   2.9509  ?   ?       ?      ? 
1 1 1   -2   65    6 o   7.0564   2.9496   17.747   67.550   17.747   67.550   0.0000   0.0000   7.0564   2.9496  ?   ?       ?      ? 
1 1 1   -2   65    7 o   13.851   2.7029  203.976   70.065  203.976   70.065   0.0000   0.0000   13.851   2.7029  ?   ?       ?      ? 
1 1 1   -2   65    8 o   13.407   2.8150  193.176   70.926  193.176   70.926   0.0000   0.0000   13.407   2.8150  ?   ?       ?      ? 
1 1 1   -2   65    9 o   15.736   2.2442  252.327   68.552  252.327   68.552   0.0000   0.0000   15.736   2.2442  ?   ?       ?      ? 
1 1 1   -2   65   10 o   12.910   2.9362  182.467   71.921  182.467   71.921   0.0000   0.0000   12.910   2.9362  ?   ?       ?      ? 
1 1 1   -2   65   11 o   11.607   3.1791  151.195   73.738  151.195   73.738   0.0000   0.0000   11.607   3.1791  ?   ?       ?      ? 
1 1 1   -2   65   12 o   14.434   2.1295  182.978   58.945   83.373   70.283  419.192  108.234   9.0224   3.2008   19.845   2.8096 -10.82284 4.258984 
1 1 1   -2   66    1 o   9.3219   3.0720   89.492   64.467   89.492   64.467   0.0000   0.0000   9.3219   3.0720  ?   ?       ?      ? 
1 1 1   -2   66    2 o   10.718   3.0834  124.173   67.598  124.173   67.598   0.0000   0.0000   10.718   3.0834  ?   ?       ?      ? 
1 1 1   -2   66    3 o   4.8636   2.3612 -110.4461   69.981 -110.4461   69.981   0.0000   0.0000   4.8636   2.3612  ?   ?       ?      ? 
1 1 1   -2   66    4 o   8.5325   3.1628   65.323   69.626   65.323   69.626   0.0000   0.0000   8.5325   3.1628  ?   ?       ?      ? 
1 1 1   -2   66    5 o   16.195   2.1895  265.867   68.832  265.867   68.832   0.0000   0.0000   16.195   2.1895  ?   ?       ?      ? 
1 1 1   -2   66    6 o   11.120   2.8672  134.142   62.292  134.142   62.292   0.0000   0.0000   11.120   2.8672  ?   ?       ?      ? 
1 1 1   -2   66    7 o   8.6657   3.0680   73.558   64.541   73.558   64.541   0.0000   0.0000   8.6657   3.0680  ?   ?       ?      ? 
1 1 1   -2   66    8 o   28.660   1.3658  813.011   75.981  813.011   75.981   0.0000   0.0000   28.660   1.3658  ?   ?       ?      ? 
1 1 1   -2   66    9 o   7.8463   3.1379   43.700   72.359   43.700   72.359   0.0000   0.0000   7.8463   3.1379  ?   ?       ?      ? 
1 1 1   -2   66   10 o   19.419   1.9582  383.045   73.817  383.045   73.817   0.0000   0.0000   19.419   1.9582  ?   ?       ?      ? 
1 1 1   -2   67    1 o   30.484   1.3134  917.040   77.724  917.040   77.724   0.0000   0.0000   30.484   1.3134  ?   ?       ?      ? 
1 1 1   -2   67    2 o   10.196   3.1746  112.157   69.561  112.157   69.561   0.0000   0.0000   10.196   3.1746  ?   ?       ?      ? 
1 1 1   -2   67    3 o   27.097   1.4549  727.609   76.527  727.609   76.527   0.0000   0.0000   27.097   1.4549  ?   ?       ?      ? 
1 1 1   -2   67    4 o   7.9401   3.0834   49.622   68.079   49.622   68.079   0.0000   0.0000   7.9401   3.0834  ?   ?       ?      ? 
1 1 1   -2   67    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -2   67    6 o   12.188   2.9552  163.543   69.194  163.543   69.194   0.0000   0.0000   12.188   2.9552  ?   ?       ?      ? 
1 1 1   -2   67    7 f   14.261   2.8161  221.258   75.193  221.258   75.193   0.0000   0.0000   14.261   2.8161  ?   ?       ?      ? 
1 1 1   -2   67    8 o   12.615   2.9556  176.500   71.109  176.500   71.109   0.0000   0.0000   12.615   2.9556  ?   ?       ?      ? 
1 1 1   -2   68    1 o   10.019   3.2245  109.108   71.235  109.108   71.235   0.0000   0.0000   10.019   3.2245  ?   ?       ?      ? 
1 1 1   -2   68    2 o   11.655   3.0964  151.219   71.246  151.219   71.246   0.0000   0.0000   11.655   3.0964  ?   ?       ?      ? 
1 1 1   -2   68    3 o   9.2044   3.1643   88.299   68.359   88.299   68.359   0.0000   0.0000   9.2044   3.1643  ?   ?       ?      ? 
1 1 1   -2   68    4 o   11.015   3.1583  135.716   71.026  135.716   71.026   0.0000   0.0000   11.015   3.1583  ?   ?       ?      ? 
1 1 1   -2   68    5 o   10.297   3.1078  117.594   67.319  117.594   67.319   0.0000   0.0000   10.297   3.1078  ?   ?       ?      ? 
1 1 1   -2   68    6 o   5.3734   2.5359 -64.7484   69.115 -64.7484   69.115   0.0000   0.0000   5.3734   2.5359  ?   ?       ?      ? 
1 1 1   -1    0    1 o   24.330   0.2990  575.024   14.110  583.437   20.033  566.743   19.877   24.507   0.4214   24.153   0.4242 -0.000000 0.000000 
1 1 1   -1    0    2 o   27.385   2.4094  761.171  122.258  700.074  170.627  825.634  175.264   26.157   3.5438   28.614   3.2653 -0.000000 0.000000 
1 1 1   -1    0    3 o  227.814   1.6598 50402.01  733.824 50322.63  1036.42 50481.82  1039.16  227.634   2.3460  227.994   2.3485 -0.000000 0.000000 
1 1 1   -1    0    4 o  348.006   1.7899 117600.30  1209.00 117319.40  1703.63 117885.30  1716.01  347.588   2.5252  348.425   2.5375 -0.000000 0.000000 
1 1 1   -1    0    5 o  421.013   1.8911 172054.09  1545.01 173832.00  2212.73 170362.70  2158.24  423.135   2.6942  418.892   2.6544 -0.000000 0.000000 
1 1 1   -1    0    6 o  154.752   1.2410 23254.82  372.683 23243.80  526.904 23265.86  527.201  154.715   1.7549  154.789   1.7551 -0.000000 0.000000 
1 1 1   -1    0    7 o  104.469   0.9990 10598.19  202.489 10712.00  288.252 10487.32  284.510  105.023   1.4145  103.915   1.4110 -0.000000 0.000000 
1 1 1   -1    0    8 o   73.627   0.7950  5264.00  113.550  5171.40  158.912  5360.60  162.309   72.965   1.1226   74.288   1.1261 -0.000000 0.000000 
1 1 1   -1    0    9 o   78.338   0.8642  5958.31  131.309  6107.16  188.283  5817.37  183.219   79.290   1.2239   77.385   1.2204 -0.000000 0.000000 
1 1 1   -1    0   10 f   65.647   0.7682  4186.57   97.837  4194.48  138.935  4178.79  137.798   65.709   1.0899   65.586   1.0830 -0.000000 0.000000 
1 1 1   -1    0   11 o  182.007   1.3774 32156.75  486.419 31344.52  680.714 33004.22  695.319  179.658   1.9524  184.355   1.9434 -0.000000 0.000000 
1 1 1   -1    0   12 o  133.518   1.2035 17311.80  311.785 17568.07  442.628 17059.43  439.252  134.499   1.6959  132.536   1.7080 -0.000000 0.000000 
1 1 1   -1    0   13 o  286.388   1.6531 79634.91  918.872 79448.70  1294.93 79823.77  1304.08  286.051   2.3324  286.725   2.3434 -0.000000 0.000000 
1 1 1   -1    0   14 o  252.239   1.6081 61779.68  787.234 61609.01  1110.31 61952.21  1116.35  251.888   2.2712  252.589   2.2772 -0.000000 0.000000 
1 1 1   -1    0   15 o  178.435   1.5784 30951.28  537.285 31075.84  699.274 30771.76  839.464  178.885   2.0143  177.985   2.4307 -0.000000 0.000000 
1 1 1   -1    0   16 o  234.414   1.6022 53361.70  728.909 53480.74  1030.00 53242.28  1031.67  234.676   2.2615  234.152   2.2702 -0.000000 0.000000 
1 1 1   -1    0   17 o  186.146   1.4583 33652.53  526.781 33506.94  743.303 33799.45  746.669  185.741   2.0621  186.551   2.0625 -0.000000 0.000000 
1 1 1   -1    0   18 o   74.106   0.9637  5325.54  138.370  5576.81  201.564  5101.58  190.291   75.757   1.3717   72.455   1.3540 -0.000000 0.000000 
1 1 1   -1    0   19 o   89.897   1.0714  7840.76  186.708  8205.04  270.221  7507.99  258.273   91.894   1.5158   87.901   1.5147 -0.000000 0.000000 
1 1 1   -1    0   20 o   34.298   1.0583  1151.24   69.981  1077.50   99.985  1222.06   97.983   33.204   1.5591   35.392   1.4315 -0.000000 0.000000 
1 1 1   -1    0   21 o  142.537   1.5314 19751.22  423.437 19690.84  593.549 19813.80  604.254  142.317   2.1496  142.757   2.1816 -0.000000 0.000000 
1 1 1   -1    0   22 o  157.982   1.7866 24374.02  541.754 24966.62  720.664 23603.97  821.516  160.229   2.3181  155.734   2.7194 -0.000000 0.000000 
1 1 1   -1    0   23 o   54.030   3.7777  2939.69  386.783  3109.43  549.855  2773.44  544.178   55.672   5.1917   52.388   5.4890 -0.000000 0.000000 
1 1 1   -1    0   24 o  133.936   1.3803 17436.51  358.618 16943.59  501.617 17951.85  512.896  131.999   1.9586  135.874   1.9455 -0.000000 0.000000 
1 1 1   -1    0   25 f   30.405   1.4048  910.558   81.805  903.920  120.593  916.217  111.339   30.282   2.0739   30.528   1.8955 -0.000000 0.000000 
1 1 1   -1    0   26 o   57.170   1.0818  3184.76  119.608  3146.71  174.385  3218.57  164.361   56.840   1.5833   57.500   1.4747 -0.000000 0.000000 
1 1 1   -1    0   27 o   54.320   1.0851  2869.95  114.092  2968.21  166.109  2782.19  156.979   55.198   1.5530   53.441   1.5160 -0.000000 0.000000 
1 1 1   -1    0   28 o   12.481   3.5424  209.857   85.093  257.681  125.108  168.688  116.078   14.122   5.0122   10.841   5.0071 -0.000000 0.000000 
1 1 1   -1    0   29 o   34.751   1.4821  1179.20   98.604  1295.62  149.282  1089.09  131.331   36.264   2.1376   33.238   2.0535 -0.000000 0.000000 
1 1 1   -1    0   30 o   20.336   2.4734  440.283   85.624  565.495  126.414  334.142  116.389   23.495   2.8888   17.177   4.0156 -0.000000 0.000000 
1 1 1   -1    0   31 o   39.670   1.2930  1534.47   98.474  1655.09  149.664  1442.39  130.766   41.026   1.8884   38.315   1.7667 -0.000000 0.000000 
1 1 1   -1    0   32 o   10.156   3.1402  134.647   86.680 -21.9729  130.361  258.768  116.051   6.2108   4.1143   14.100   4.7450 -0.000000 0.000000 
1 1 1   -1    0   33 o   8.8392   3.4632  114.740   87.242  141.798  129.941   92.533  117.719   9.5576   5.1155   8.1209   4.6696 -0.000000 0.000000 
1 1 1   -1    0   34 o   6.8289   2.9976   0.4327   92.172 -156.1804  142.036  114.363  121.144   5.0254   3.5548   8.6325   4.8277 -0.000000 0.000000 
1 1 1   -1    0   35 o   8.6914   3.3895  109.811   93.364   12.272  141.208  185.571  124.448   6.7340   4.3989   10.649   5.1580 -0.000000 0.000000 
1 1 1   -1    1    1 o  238.978   1.9974 56044.71  880.246 53633.52  1483.78 57354.15  1093.44  234.938   3.2535  243.018   2.3179 -8.080612 3.994739 
1 1 1   -1    1    2 o  198.514   1.3260 38262.17  510.969 38482.26  723.292 38042.89  721.948  199.084   1.8716  197.944   1.8789 1.140076 2.651989 
1 1 1   -1    1    3 o   54.140   0.5741  2845.55   60.314  2863.15   84.415  2827.20   86.208   54.311   0.8007   53.969   0.8229 0.3421974 1.148140 
1 1 1   -1    1    4 o  208.183   1.1244 42131.73  452.493 42719.05  614.810 41437.59  668.385  209.771   1.5098  206.596   1.6666 3.175247 2.248841 
1 1 1   -1    1    5 o  518.523   1.4338 260991.80  1442.98 262377.00  2059.45 259655.91  2022.43  519.873   2.0407  517.172   2.0145 2.701355 2.867567 
1 1 1   -1    1    6 o  313.467   1.2554 95386.70  763.916 95037.75  1076.59 95740.56  1084.13  312.889   1.7725  314.044   1.7784 -1.154602 2.510879 
1 1 1   -1    1    7 o   71.742   0.5479  4995.19   76.297  5046.72  108.586  4944.95  107.227   72.107   0.7758   71.376   0.7739 0.7307739 1.095785 
1 1 1   -1    1    8 o  167.384   0.9237 27199.41  300.132 27095.65  422.950 27304.65  425.969  167.063   1.3042  167.706   1.3085 -0.6429443 1.847441 
1 1 1   -1    1    9 o  233.038   1.0572 52728.77  478.224 52584.59  675.326 52873.79  677.299  232.718   1.4949  233.357   1.4952 -0.6390533 2.114323 
1 1 1   -1    1   10 o   56.511   0.5818  3124.48   61.498  3005.93  100.588  3195.24   77.714   55.647   0.9312   57.374   0.6978 -1.727112 1.163612 
1 1 1   -1    1   11 o  430.061   1.4057 179577.00  1173.52 179123.41  1655.36 180035.41  1663.89  429.515   1.9854  430.607   1.9906 -1.091675 2.811449 
1 1 1   -1    1   12 f  222.683   1.0620 48135.73  459.043 47921.82  647.337 48352.11  651.050  222.186   1.5009  223.181   1.5028 -0.9952087 2.123910 
1 1 1   -1    1   13 o  174.667   0.9686 29614.74  328.399 29642.74  464.887 29586.84  463.967  174.749   1.3705  174.584   1.3690 0.1648254 1.937124 
1 1 1   -1    1   14 o  202.328   1.0486 39739.41  411.845 39703.43  582.661 39775.36  582.213  202.236   1.4842  202.419   1.4817 -0.1831818 2.097215 
1 1 1   -1    1   15 o  158.712   0.9550 24452.20  294.224 24377.59  414.965 24527.61  417.235  158.469   1.3490  158.956   1.3522 -0.4868011 1.910011 
1 1 1   -1    1   16 o  128.339   0.8858 15988.58  220.673 15847.35  311.543 16130.79  312.616  127.770   1.2561  128.908   1.2493 -1.137634 1.771593 
1 1 1   -1    1   17 o   51.216   0.7120  2541.44   68.401  2565.00  112.527  2527.63   86.143   51.403   1.1277   51.029   0.8696 0.3741341 1.424088 
1 1 1   -1    1   18 o  149.268   1.0192 21632.22  295.312 21354.68  415.397 21915.83  419.908  148.300   1.4430  150.236   1.4398 -1.935944 2.038452 
1 1 1   -1    1   19 o  198.722   1.1414 38385.94  439.220 38860.00  602.668 37848.92  641.445  200.036   1.5520  197.408   1.6739 2.628738 2.282716 
1 1 1   -1    1   20 o  105.249   0.9596 10694.51  189.488 11000.11  312.909 10517.55  238.113  106.423   1.5147  104.076   1.1786 2.346619 1.919202 
1 1 1   -1    1   21 f  101.487   1.0489 10005.40  206.630 10063.18  293.629  9948.72  290.830  101.777   1.4862  101.197   1.4805 0.5801392 2.097794 
1 1 1   -1    1   22 o   48.898   0.6727  2321.91   63.848  2353.22   90.188  2290.44   90.403   49.229   0.9438   48.567   0.9589 0.6613922 1.345429 
1 1 1   -1    1   23 o  129.099   1.0340 16193.28  259.086 16402.29  370.619 15993.53  362.327  129.913   1.4696  128.286   1.4550 1.627350 2.068041 
1 1 1   -1    1   24 o  116.491   0.9770 13185.07  220.908 13399.11  314.845 12977.51  310.034  117.422   1.3813  115.560   1.3821 1.862175 1.954003 
1 1 1   -1    1   25 o   43.341   0.7880  1824.47   66.272  1899.92   94.502  1751.45   92.962   44.223   1.1009   42.459   1.1279 1.764088 1.576082 
1 1 1   -1    1   26 o   70.759   0.7811  4865.10  107.284  4921.32  151.928  4809.17  151.517   71.167   1.0997   70.351   1.1095 0.8162537 1.562180 
1 1 1   -1    1   27 o   99.468   0.9370  9620.47  180.909  9726.68  257.746  9517.34  253.985  100.009   1.3277   98.928   1.3226 1.081314 1.874013 
1 1 1   -1    1   28 o   20.197   1.5332  398.535   60.070  417.403   85.327  379.995   84.583   20.674   2.1262   19.721   2.2095 0.9530125 3.066373 
1 1 1   -1    1   29 o   91.261   0.9045  8109.57  160.220  8205.16  228.748  8017.51  224.483   91.788   1.2838   90.734   1.2745 1.053429 1.809043 
1 1 1   -1    1   30 o   35.013   0.9957  1196.22   67.652  1211.20   97.092  1182.08   94.316   35.225   1.4200   34.802   1.3961 0.4226341 1.991326 
1 1 1   -1    1   31 o   44.198   0.8569  1904.92   73.480  1968.30  105.961  1846.21  101.986   44.905   1.2156   43.491   1.2080 1.413483 1.713757 
1 1 1   -1    1   32 o   25.472   1.2882  644.437   63.297  724.350   89.389  564.069   89.643   27.094   1.6996   23.851   1.9362 3.242887 2.576342 
1 1 1   -1    1   33 o   6.9903   2.2043 -26.1610   61.151  -1.6090   87.226 -49.8919   85.755   7.4644   3.2411   6.5162   2.9885 0.9481969 4.408600 
1 1 1   -1    1   34 o   20.114   1.7048  413.472   66.519  432.309   94.494  394.969   93.655   20.587   2.3645   19.640   2.4565 0.9468880 3.409630 
1 1 1   -1    1   35 o   10.867   2.5919  131.279   65.266  153.530   93.230  109.895   91.399   11.565   3.6854   10.170   3.6456 1.395465 5.183837 
1 1 1   -1    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    2    2 o  201.595   1.3290 39457.50  520.063 39214.93  733.035 39703.34  737.949  200.971   1.8790  202.218   1.8799 -1.247620 2.657961 
1 1 1   -1    2    3 o  186.458   1.3309 33753.07  481.712 33412.45  677.987 34100.32  684.547  185.508   1.8828  187.408   1.8817 -1.899841 2.661872 
1 1 1   -1    2    4 o  176.893   1.1972 30435.99  396.423 30596.80  499.182 30161.39  652.303  177.533   1.4485  176.252   1.9066 1.280273 2.394384 
1 1 1   -1    2    5 o  432.124   1.3471 181223.09  1129.62 183200.41  1620.58 179354.50  1575.44  434.416   1.9218  429.833   1.8882 4.582581 2.694120 
1 1 1   -1    2    6 o  192.572   0.9657 35994.48  360.978 35636.96  508.016 36359.09  513.021  191.606   1.3659  193.537   1.3655 -1.931549 1.931388 
1 1 1   -1    2    7 o   89.925   0.6421  7848.17  112.071  7750.96  157.395  7948.14  159.613   89.361   0.9074   90.490   0.9087 -1.129509 1.284122 
1 1 1   -1    2    8 o  169.275   0.9270 27813.92  304.590 27467.42  427.426 28171.44  434.164  168.204   1.3091  170.346   1.3130 -2.141846 1.854061 
1 1 1   -1    2    9 o  158.003   0.9093 24236.58  278.883 24033.26  393.158 24442.49  395.653  157.336   1.2873  158.670   1.2846 -1.333954 1.818565 
1 1 1   -1    2   10 o  250.958   1.0899 61142.04  530.934 60523.73  746.096 61776.38  755.703  249.673   1.5394  252.243   1.5434 -2.570236 2.179859 
1 1 1   -1    2   11 o  100.437   0.7154  9790.72  139.475  9694.61  195.892  9889.53  198.630   99.937   1.0098  100.937   1.0137 -0.9996414 1.430851 
1 1 1   -1    2   12 o  316.054   1.1892 96969.48  729.586 96731.13  1028.81 97210.62  1034.80  315.664   1.6790  316.445   1.6846 -0.7811890 2.378402 
1 1 1   -1    2   13 o  228.735   1.0826 50787.97  480.705 51059.16  681.291 50519.10  678.358  229.343   1.5303  228.127   1.5319 1.216156 2.165282 
1 1 1   -1    2   14 o  213.732   1.0669 44345.79  442.644 44431.60  625.999 44259.98  625.988  213.939   1.5074  213.525   1.5103 0.4136200 2.133783 
1 1 1   -1    2   15 o  165.447   0.9735 26570.53  312.637 26404.23  439.803 26740.40  444.506  164.924   1.3738  165.971   1.3797 -1.046463 1.946982 
1 1 1   -1    2   16 o   79.169   0.6690  6084.04  102.801  5987.20  145.222  6181.32  145.543   78.537   0.9526   79.800   0.9395 -1.263161 1.337955 
1 1 1   -1    2   17 o  193.025   1.0622 36169.53  397.990 35740.97  559.360 36608.92  566.391  191.867   1.5018  194.183   1.5026 -2.315674 2.124458 
1 1 1   -1    2   18 o  111.474   0.8466 12067.75  183.090 11953.11  262.779 12175.91  255.241  110.958   1.2200  111.989   1.1741 -1.030533 1.693217 
1 1 1   -1    2   19 o   63.877   0.7598  3974.11   90.345  4006.83  113.018  3916.18  150.371   64.245   0.9062   63.509   1.2197 0.7359734 1.519536 
1 1 1   -1    2   20 o  168.868   1.1076 27697.34  363.075 27879.44  514.511 27516.70  512.427  169.421   1.5645  168.315   1.5684 1.106094 2.215235 
1 1 1   -1    2   21 o   71.123   0.7026  4911.58   96.999  4842.31  136.814  4981.59  137.543   70.618   0.9980   71.627   0.9892 -1.008720 1.405223 
1 1 1   -1    2   22 o   41.210   0.7177  1649.30   57.404  1632.84   81.545  1665.45   80.822   41.006   1.0244   41.413   1.0054 -0.4078217 1.435359 
1 1 1   -1    2   23 o  114.813   0.9217 12807.49  205.409 12825.01  289.256 12789.66  291.745  114.892   1.2970  114.733   1.3099 0.1596069 1.843375 
1 1 1   -1    2   24 o   96.750   0.8417  9090.75  158.041  9239.89  226.225  8948.59  220.877   97.524   1.1950   95.975   1.1856 1.548897 1.683322 
1 1 1   -1    2   25 o  101.235   0.9172  9956.36  180.201 10138.26  258.072  9783.29  251.731  102.136   1.3017  100.333   1.2925 1.803055 1.834347 
1 1 1   -1    2   26 o   51.146   0.7673  2541.11   76.167  2580.23  108.823  2503.54  106.643   51.532   1.0879   50.760   1.0823 0.7712135 1.534540 
1 1 1   -1    2   27 o   49.107   0.7829  2344.29   74.604  2321.62  106.700  2365.98  104.350   48.873   1.1247   49.340   1.0895 -0.4668999 1.565855 
1 1 1   -1    2   28 o   54.023   0.7868  2837.33   82.464  2965.05  117.345  2712.71  115.912   55.226   1.0946   52.820   1.1305 2.405212 1.573573 
1 1 1   -1    2   29 o   44.642   0.8544  1939.94   74.035  1905.07  104.046  1975.69  105.367   44.236   1.2117   45.049   1.2049 -0.8132172 1.708793 
1 1 1   -1    2   30 o   36.720   0.9342  1314.90   66.570  1329.33   95.478  1301.25   92.866   36.915   1.3324   36.526   1.3098 0.3887825 1.868371 
1 1 1   -1    2   31 o   18.741   1.7961  363.083   60.577  486.638   85.970  241.242   85.371   22.221   1.9931   15.262   2.9886 6.959157 3.592216 
1 1 1   -1    2   32 o   33.601   1.0177  1109.85   66.116  986.741   92.544  1238.19   94.490   31.677   1.5050   35.524   1.3702 -3.846794 2.035324 
1 1 1   -1    2   33 o   18.385   1.7655  342.646   62.993  345.305   88.335  339.895   89.855   18.468   2.4641   18.302   2.5291 0.1654816 3.530998 
1 1 1   -1    2   34 o   20.468   1.6790  426.848   66.414  482.668   95.978  375.563   91.996   21.794   2.2687   19.142   2.4757 2.651371 3.358005 
1 1 1   -1    2   35 o   19.152   1.7872  384.775   65.974  430.390   92.823  338.208   93.787   20.399   2.3441   17.905   2.6984 2.494421 3.574408 
1 1 1   -1    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1    3    2 o  127.981   1.4474 15879.40  352.453 16025.87  557.912 15782.12  454.670  128.466   2.2372  127.495   1.8371 0.9707413 2.894860 
1 1 1   -1    3    3 o   67.981   0.6978  4485.77   92.079  4458.62  129.854  4513.23  130.590   67.774   0.9870   68.188   0.9866 -0.4138260 1.395557 
1 1 1   -1    3    4 o  242.225   1.2874 56894.27  598.560 56509.38  788.279 57418.39  919.856  241.263   1.6832  243.186   1.9486 -1.922836 2.574866 
1 1 1   -1    3    5 o  245.918   1.2026 58700.66  574.080 58186.57  807.581 59225.82  816.230  244.829   1.6993  247.006   1.7023 -2.176666 2.405272 
1 1 1   -1    3    6 o  281.461   1.2341 76896.91  674.243 77649.41  959.840 76163.89  947.330  282.820   1.7483  280.102   1.7423 2.718231 2.468242 
1 1 1   -1    3    7 o   53.012   0.4448  2726.86   45.763  2677.40   64.066  2778.40   65.391   52.521   0.6284   53.502   0.6296 -0.9814529 0.8895524 
1 1 1   -1    3    8 o  167.470   0.9329 27228.31  303.278 27107.19  428.274 27350.14  429.529  167.096   1.3204  167.843   1.3183 -0.7472076 1.865831 
1 1 1   -1    3    9 o  192.276   0.9875 35891.31  368.556 36200.52  524.062 35588.72  518.417  193.095   1.3981  191.456   1.3949 1.638489 1.974970 
1 1 1   -1    3   10 o  229.723   1.0603 51236.40  472.833 51086.15  667.711 51387.54  669.667  229.385   1.4995  230.060   1.4995 -0.6756744 2.120657 
1 1 1   -1    3   11 o  192.990   0.9943 36156.32  372.481 36289.63  526.947 36023.20  526.590  193.346   1.4040  192.635   1.4082 0.7111816 1.988544 
1 1 1   -1    3   12 o  343.229   1.2532 114324.80  833.823 113620.30  1147.49 115113.00  1213.70  342.111   1.7279  344.348   1.8157 -2.236389 2.506481 
1 1 1   -1    3   13 o  123.053   0.8118 14696.58  193.905 14558.57  272.639 14837.85  275.835  122.468   1.1468  123.637   1.1493 -1.169075 1.623615 
1 1 1   -1    3   14 o  178.548   0.9934 30946.31  344.318 30832.33  486.387 31060.81  487.492  178.218   1.4059  178.877   1.4039 -0.6591339 1.986877 
1 1 1   -1    3   15 o   60.705   0.5811  3574.11   68.445  3658.55   98.774  3496.11   94.933   61.394   0.8288   60.015   0.8149 1.378330 1.162294 
1 1 1   -1    3   16 o  272.144   1.1869 71902.06  626.987 72204.36  889.049 71602.95  884.359  272.713   1.6794  271.575   1.6775 1.138062 2.373714 
1 1 1   -1    3   17 o   98.920   0.8803  9508.59  164.744  9540.68  210.758  9458.19  264.145   99.137   1.0952   98.703   1.3786 0.4341660 1.760685 
1 1 1   -1    3   18 o   58.831   0.7299  3368.93   80.353  3393.87  101.193  3326.38  132.193   59.128   0.8816   58.534   1.1634 0.5942154 1.459730 
1 1 1   -1    3   19 o  110.606   0.8322 11877.71  178.671 11730.47  252.161 12026.16  253.200  109.918   1.1818  111.295   1.1720 -1.377014 1.664396 
1 1 1   -1    3   20 o   86.263   0.7674  7225.21  128.494  7355.83  182.025  7095.48  181.411   87.041   1.0773   85.486   1.0932 1.554672 1.534836 
1 1 1   -1    3   21 f  148.872   1.0471 21528.26  302.590 21193.03  425.424 21871.49  430.473  147.699   1.4838  150.045   1.4779 -2.346130 2.094286 
1 1 1   -1    3   22 o  156.291   1.0908 23734.83  330.916 23519.65  466.003 23953.70  469.994  155.577   1.5430  157.006   1.5421 -1.429108 2.181527 
1 1 1   -1    3   23 o  108.758   0.8744 11487.72  184.581 11688.68  263.779 11294.91  258.379  109.689   1.2388  107.826   1.2344 1.863106 1.748865 
1 1 1   -1    3   24 o  172.826   1.1059 29037.27  371.017 29125.40  524.031 28948.68  525.367  173.089   1.5596  172.562   1.5684 0.5274811 2.211850 
1 1 1   -1    3   25 o   75.618   0.7756  5555.01  113.845  5566.16  161.572  5544.01  160.437   75.693   1.0996   75.543   1.0941 0.1504288 1.551180 
1 1 1   -1    3   26 o   66.813   0.7660  4336.42   99.340  4416.88  141.719  4258.69  139.288   67.423   1.0828   66.204   1.0838 1.218483 1.532061 
1 1 1   -1    3   27 o   70.688   0.7874  4855.13  108.023  4919.47  154.793  4794.06  150.821   71.144   1.1209   70.232   1.1063 0.9114380 1.574843 
1 1 1   -1    3   28 o   77.920   0.8248  5904.08  124.749  5837.83  176.120  5970.79  176.725   77.481   1.1710   78.359   1.1618 -0.8785172 1.649556 
1 1 1   -1    3   29 o   58.329   0.7896  3311.22   89.395  3245.89  126.442  3376.52  126.407   57.753   1.1279   58.906   1.1055 -1.153748 1.579273 
1 1 1   -1    3   30 o   15.187   2.0828  236.623   59.170  251.589   84.621  222.305   82.769   15.681   2.8863   14.692   3.0035 0.9890442 4.165560 
1 1 1   -1    3   31 o   49.579   0.8234  2398.45   79.215  2482.79  112.529  2315.59  111.532   50.447   1.1491   48.712   1.1795 1.735020 1.646738 
1 1 1   -1    3   32 o   23.425   1.3846  544.234   62.904  512.251   87.905  577.799   90.054   22.711   1.9939   24.140   1.9218 -1.428818 2.769294 
1 1 1   -1    3   33 f   26.516   1.2560  698.224   64.576  735.422   91.358  661.082   91.290   27.237   1.7279   25.794   1.8233 1.443867 2.511946 
1 1 1   -1    3   34 o   21.925   1.6261  492.493   67.954  603.909   97.103  385.557   95.130   24.480   2.0434   19.370   2.5300 5.109346 3.252116 
1 1 1   -1    3   35 o   24.623   1.4717  618.877   70.336  607.000   98.647  631.158  100.315   24.381   2.0843   24.865   2.0783 -0.4839745 2.943436 
1 1 1   -1    4    1 o  128.543   1.2898 16041.76  321.810 15990.97  451.374 16094.26  458.936  128.337   1.8118  128.750   1.8363 -0.4132843 2.579675 
1 1 1   -1    4    2 o  185.541   1.3246 33422.77  477.078 33818.78  676.805 33031.68  672.594  186.633   1.8681  184.448   1.8785 2.184998 2.649289 
1 1 1   -1    4    3 o  366.208   1.4746 130217.20  1048.26 130913.10  1489.13 129533.70  1475.90  367.178   2.0892  365.239   2.0817 1.939026 2.949292 
1 1 1   -1    4    4 f  237.382   1.3749 54706.13  633.543 54512.76  892.085 54902.90  899.896  236.959   1.9394  237.805   1.9494 -0.8460999 2.749827 
1 1 1   -1    4    5 o  397.892   1.4230 153836.20  1089.61 154813.09  1451.38 152574.50  1649.45  399.346   1.8723  396.438   2.1434 2.908081 2.845948 
1 1 1   -1    4    6 o  286.087   1.2391 79446.29  688.066 78734.86  966.511 80177.36  979.769  284.789   1.7483  287.385   1.7563 -2.596710 2.478128 
1 1 1   -1    4    7 o  287.073   1.2119 80032.30  674.237 80446.56  928.545 79570.27  980.614  287.862   1.6617  286.285   1.7646 1.576508 2.423819 
1 1 1   -1    4    8 o  106.615   0.7238 11030.99  149.779 11246.82  213.993 10823.70  209.711  107.637   1.0242  105.593   1.0231 2.044106 1.447652 
1 1 1   -1    4    9 o   89.290   0.6519  7738.82  112.995  7654.12  159.195  7824.82  160.412   88.798   0.9236   89.782   0.9204 -0.9847565 1.303880 
1 1 1   -1    4   10 o  216.010   1.0391 45301.05  435.697 45146.66  614.848 45456.77  617.497  215.640   1.4688  216.380   1.4701 -0.7392883 2.078155 
1 1 1   -1    4   11 o  414.963   1.3939 167182.00  1122.80 167783.41  1594.10 166589.91  1581.72  415.703   1.9755  414.223   1.9671 1.480591 2.787824 
1 1 1   -1    4   12 o  444.286   1.4312 191633.91  1234.32 191308.30  1740.64 191963.20  1750.59  443.906   2.0200  444.665   2.0281 -0.7586670 2.862433 
1 1 1   -1    4   13 o  186.640   1.0050 33814.10  364.106 33728.20  513.475 33900.98  516.385  186.402   1.4191  186.878   1.4235 -0.4767456 2.009986 
1 1 1   -1    4   14 o   45.089   0.5214  1973.00   45.635  1930.70   64.126  2016.40   64.957   44.600   0.7407   45.579   0.7342 -0.9790916 1.042898 
1 1 1   -1    4   15 f  154.235   0.9472 23091.14  283.579 23321.91  402.574 22863.86  399.526  154.999   1.3380  153.470   1.3411 1.529739 1.894389 
1 1 1   -1    4   16 o  205.739   1.1521 41078.54  457.355 40953.77  613.642 41234.45  685.984  205.391   1.5391  206.087   1.7147 -0.6970062 2.304164 
1 1 1   -1    4   17 o   48.748   0.7421  2291.75   66.180  2351.61  115.429  2262.44   80.775   49.218   1.2082   48.278   0.8619 0.9398499 1.484107 
1 1 1   -1    4   18 o  162.873   1.0040 25757.90  317.420 25735.84  448.824 25779.99  448.975  162.803   1.4202  162.943   1.4195 -0.1396179 2.007936 
1 1 1   -1    4   19 o   96.500   0.7974  9040.92  149.369  9088.11  211.619  8994.06  210.863   96.751   1.1268   96.249   1.1286 0.5019836 1.594791 
1 1 1   -1    4   20 f  104.397   0.8209 10581.83  166.344 10684.34  236.476 10481.43  234.036  104.898   1.1613  103.897   1.1604 1.000832 1.641727 
1 1 1   -1    4   21 o   74.600   0.6990  5403.70  101.215  5448.21  143.281  5359.36  143.000   74.907   0.9854   74.293   0.9916 0.6134872 1.397919 
1 1 1   -1    4   22 o   67.203   0.6909  4383.86   90.097  4235.39  126.216  4538.11  128.651   66.043   0.9845   68.363   0.9695 -2.319962 1.381710 
1 1 1   -1    4   23 o  124.692   1.0100 15108.55  244.453 15287.62  347.062 14932.26  344.371  125.425   1.4255  123.958   1.4312 1.466942 2.019938 
1 1 1   -1    4   24 o   75.788   0.9113  5515.89  127.257  5379.73  156.060  5786.10  219.846   74.421   1.0803   77.155   1.4679 -2.734337 1.822532 
1 1 1   -1    4   25 o   82.647   0.8004  6636.82  128.399  6571.37  182.183  6701.42  180.991   82.241   1.1412   83.052   1.1226 -0.8111343 1.600811 
1 1 1   -1    4   26 o   30.612   1.0208  911.310   60.507  826.877   84.588  999.775   86.585   29.158   1.4945   32.066   1.3910 -2.908230 2.041660 
1 1 1   -1    4   27 o   16.794   1.9169  283.694   58.897  389.095   85.669  189.227   81.103   19.968   2.2102   13.621   3.1327 6.346642 3.833861 
1 1 1   -1    4   28 o   46.454   0.8160  2098.61   73.567  2055.72  104.026  2141.52  104.054   45.978   1.1655   46.929   1.1422 -0.9515305 1.631912 
1 1 1   -1    4   29 o   46.997   0.8344  2144.36   76.017  2012.03  104.577  2292.62  110.692   45.463   1.1850   48.531   1.1750 -3.067829 1.668777 
1 1 1   -1    4   30 o   58.371   0.7827  3315.83   88.646  3442.10  127.529  3197.78  123.307   59.446   1.1051   57.297   1.1086 2.149162 1.565388 
1 1 1   -1    4   31 o   50.814   0.8246  2517.66   81.304  2592.55  117.002  2447.73  113.061   51.543   1.1694   50.084   1.1629 1.458824 1.649188 
1 1 1   -1    4   32 o   11.845   2.3315  146.320   59.422  218.315   84.314   75.269   83.759   14.344   3.1170   9.3456   3.4680 4.998652 4.662934 
1 1 1   -1    4   33 o   37.013   0.9675  1346.40   69.445  1435.06   99.726  1262.93   96.762   38.204   1.3447   35.823   1.3915 2.380592 1.935079 
1 1 1   -1    4   34 o   31.578   1.1358  994.065   69.373  913.539   99.185  1071.19   97.066   30.284   1.6872   32.872   1.5212 -2.587927 2.271684 
1 1 1   -1    4   35 o   28.716   1.2898  832.422   71.889  849.165  101.910  815.839  101.424   29.012   1.8095   28.420   1.8384 0.5923443 2.579596 
1 1 1   -1    5    1 f  271.924   1.6758 71785.43  884.434 73051.05  1264.13 70571.88  1237.84  274.271   2.3744  269.577   2.3655 4.693665 3.351574 
1 1 1   -1    5    2 o   82.100   0.8661  6522.78  137.342  6349.56  184.187  6739.71  206.119   80.877   1.1732   83.324   1.2743 -2.446762 1.732141 
1 1 1   -1    5    3 o  369.222   1.4783 132373.30  1059.51 132614.00  1498.53 132132.70  1498.20  369.558   2.0889  368.887   2.0922 0.6714478 2.956516 
1 1 1   -1    5    4 o  112.581   1.0262 12315.20  223.501 12153.79  328.822 12453.80  304.711  111.895   1.5139  113.268   1.3858 -1.373856 2.052401 
1 1 1   -1    5    5 o  440.404   1.4671 188310.50  1241.51 188427.80  1643.04 188154.41  1895.39  440.570   1.9212  440.237   2.2179 0.3330688 2.934298 
1 1 1   -1    5    6 o   99.295   0.8950  9552.25  172.048  9335.34  233.752  9808.67  254.151   98.067   1.2279  100.522   1.3025 -2.454742 1.790015 
1 1 1   -1    5    7 o  300.619   1.2603 87735.05  735.443 88368.05  1045.51 87115.04  1034.72  301.692   1.7852  299.546   1.7795 2.146271 2.520649 
1 1 1   -1    5    8 o  183.680   0.9685 32755.49  345.317 32546.04  486.958 32967.36  489.758  183.089   1.3701  184.270   1.3692 -1.181290 1.936988 
1 1 1   -1    5    9 f  318.549   1.2463 98533.85  769.580 98514.98  1060.61 98554.84  1118.39  318.521   1.7154  318.577   1.8085 -0.5657959E-01 2.492593 
1 1 1   -1    5   10 o  182.516   0.9667 32336.17  342.475 32751.63  487.665 31931.88  481.068  183.673   1.3678  181.360   1.3665 2.313141 1.933399 
1 1 1   -1    5   11 o  194.613   1.0094 36764.46  381.301 36393.17  537.063 37141.83  541.446  193.622   1.4289  195.604   1.4260 -1.981461 2.018713 
1 1 1   -1    5   12 o  166.760   0.9450 26992.39  305.900 26658.77  430.818 27331.61  434.418  165.721   1.3392  167.799   1.3337 -2.078369 1.890032 
1 1 1   -1    5   13 o  281.484   1.1631 76915.58  635.549 76536.73  896.008 77299.18  901.622  280.787   1.6439  282.182   1.6460 -1.395050 2.326295 
1 1 1   -1    5   14 o  239.317   1.1123 55598.24  516.713 55367.96  729.020 55830.71  732.477  238.819   1.5726  239.815   1.5734 -0.9958649 2.224557 
1 1 1   -1    5   15 o  272.947   1.1744 72326.97  622.253 72400.27  879.888 72253.64  880.110  273.085   1.6598  272.808   1.6619 0.2767639 2.348844 
1 1 1   -1    5   16 o  127.651   0.8755 15818.04  216.931 15811.53  308.254 15824.42  305.340  127.625   1.2442  127.677   1.2320 -0.5224609E-01 1.750981 
1 1 1   -1    5   17 o  204.720   1.0925 40690.95  434.163 40587.13  613.154 40795.35  614.849  204.458   1.5449  204.982   1.5452 -0.5237732 2.185033 
1 1 1   -1    5   18 o  247.622   1.1781 59547.21  566.277 59920.14  802.063 59176.56  799.615  248.395   1.6634  246.849   1.6687 1.546494 2.356181 
1 1 1   -1    5   19 o  234.487   1.3488 53460.55  611.107 53929.22  827.514 52898.35  906.326  235.628   1.8092  233.345   2.0009 2.282990 2.697529 
1 1 1   -1    5   20 o   59.615   0.6512  3450.35   75.364  3445.06  106.620  3455.64  106.540   59.569   0.9220   59.661   0.9199 -0.9142685E-01 1.302486 
1 1 1   -1    5   21 o  150.128   1.0543 21894.57  307.226 21635.84  432.456 22158.20  436.538  149.233   1.4928  151.024   1.4891 -1.791122 2.108522 
1 1 1   -1    5   22 o  101.812   0.8341 10068.36  164.819 10112.62  231.327 10022.73  234.892  102.040   1.1679  101.584   1.1912 0.4559021 1.668177 
1 1 1   -1    5   23 o   87.049   0.7869  7360.46  132.964  7305.21  188.371  7415.32  187.708   86.723   1.1190   87.375   1.1067 -0.6518326 1.573809 
1 1 1   -1    5   24 o   32.789   0.8782  1046.51   55.797  995.591   79.982  1094.79   77.877   32.010   1.2872   33.569   1.1951 -1.559425 1.756459 
1 1 1   -1    5   25 o   62.145   0.7396  3751.29   89.203  3768.75  127.342  3734.46  124.994   62.286   1.0532   62.003   1.0385 0.2832870 1.479109 
1 1 1   -1    5   26 o   42.569   0.8145  1762.49   67.248  1696.97   95.808  1826.11   94.414   41.787   1.1811   43.350   1.1220 -1.563583 1.629066 
1 1 1   -1    5   27 o   50.616   0.7954  2490.05   78.115  2485.70  108.877  2494.67  112.139   50.572   1.1091   50.661   1.1403 -0.8917236E-01 1.590704 
1 1 1   -1    5   28 o   65.221   0.9523  4111.83  114.004  4056.10  139.598  4223.43  197.538   64.588   1.1134   65.853   1.5453 -1.264908 1.904636 
1 1 1   -1    5   29 o   26.814   1.4867  678.363   73.035  782.788  130.100  630.311   88.254   28.230   2.3741   25.397   1.7901 2.833115 2.973372 
1 1 1   -1    5   30 o   24.605   1.3014  594.572   62.033  559.964   88.559  627.910   86.920   23.891   1.9095   25.318   1.7686 -1.427166 2.602723 
1 1 1   -1    5   31 o   28.134   1.1737  777.427   64.031  738.931   90.780  815.540   90.328   27.431   1.7048   28.836   1.6137 -1.404352 2.347429 
1 1 1   -1    5   32 o   33.123   1.0527  1080.34   67.596  1122.67   94.570  1036.12   96.654   33.801   1.4413   32.445   1.5346 1.355598 2.105341 
1 1 1   -1    5   33 o   14.994   2.1963  241.157   61.845  212.983   87.293  269.549   87.631   14.027   3.2668   15.961   2.9365 -1.934470 4.392588 
1 1 1   -1    5   34 o   24.808   1.4057  621.015   67.479  578.039   96.712  661.784   94.197   23.927   2.0823   25.689   1.8889 -1.762875 2.811392 
1 1 1   -1    5   35 o   12.227   2.5270  171.946   66.108  117.297   93.528  226.511   93.455   10.403   3.6922   14.052   3.4513 -3.648637 5.054054 
1 1 1   -1    6    1 o  250.041   1.6571 60711.68  804.269 61306.15  1141.50 60125.65  1133.36  251.257   2.3404  248.826   2.3464 2.431183 3.314102 
1 1 1   -1    6    2 o  358.428   1.7900 124767.80  1245.37 124243.20  1749.11 125307.20  1773.59  357.665   2.5193  359.191   2.5437 -1.525970 3.580093 
1 1 1   -1    6    3 o  259.693   1.3847 65476.20  698.046 66083.45  989.398 64874.36  984.989  260.892   1.9536  258.494   1.9630 2.398102 2.769480 
1 1 1   -1    6    4 o  212.128   1.3619 43675.45  560.751 43137.62  786.193 44232.38  800.031  210.799   1.9213  213.457   1.9308 -2.657913 2.723832 
1 1 1   -1    6    5 o  383.175   1.5102 142507.41  1123.00 141164.00  1567.66 143923.30  1609.48  381.322   2.1178  385.029   2.1534 -3.707153 3.020344 
1 1 1   -1    6    6 o  413.601   1.4516 166125.30  1153.77 166373.91  1528.04 165795.70  1759.72  413.970   1.9015  413.232   2.1937 0.7377625 2.903147 
1 1 1   -1    6    7 o  130.404   0.9308 16462.93  228.795 16320.88  290.088 16696.73  372.167  129.665   1.1525  131.143   1.4619 -1.478577 1.861585 
1 1 1   -1    6    8 o   94.896   0.6799  8740.89  125.230  8810.66  178.496  8673.27  175.740   95.269   0.9652   94.523   0.9578 0.7455826 1.359754 
1 1 1   -1    6    9 o  200.154   1.0097 38894.79  392.285 38948.14  555.348 38841.65  554.204  200.291   1.4284  200.017   1.4274 0.2739563 2.019314 
1 1 1   -1    6   10 o  193.409   0.9947 36315.62  373.461 36422.16  528.726 36209.53  527.584  193.692   1.4062  193.126   1.4073 0.5662231 1.989458 
1 1 1   -1    6   11 o  174.306   0.9674 29493.48  327.336 29438.66  463.385 29548.09  462.464  174.144   1.3708  174.467   1.3655 -0.3234711 1.934861 
1 1 1   -1    6   12 o   71.105   0.7483  4906.89  103.277  4955.17  147.259  4860.16  144.881   71.449   1.0617   70.761   1.0548 0.6882401 1.496601 
1 1 1   -1    6   13 o  159.055   1.0148 24552.97  313.277 24228.34  439.084 24889.57  447.107  157.984   1.4318  160.125   1.4384 -2.141205 2.029530 
1 1 1   -1    6   14 o  239.460   1.1151 55664.95  518.344 55440.82  731.848 55890.55  734.258  238.976   1.5776  239.943   1.5764 -0.9673615 2.230246 
1 1 1   -1    6   15 o   39.872   0.7709  1544.68   59.611  1592.27   83.369  1494.91   85.268   40.501   1.0604   39.243   1.1193 1.258034 1.541866 
1 1 1   -1    6   16 o  133.181   0.8894 17218.37  229.935 17241.45  325.197 17195.29  325.158  133.270   1.2570  133.092   1.2586 0.1785126 1.778800 
1 1 1   -1    6   17 o  155.066   0.9723 23344.73  292.648 23108.87  413.601 23581.21  414.135  154.281   1.3810  155.850   1.3689 -1.569122 1.944504 
1 1 1   -1    6   18 o  164.297   1.0257 26210.53  327.118 26052.43  460.943 26370.94  464.305  163.798   1.4497  164.796   1.4514 -0.9981384 2.051388 
1 1 1   -1    6   19 o   60.343   0.7758  3533.29   86.909  3528.70  108.085  3541.71  146.184   60.290   0.9235   60.396   1.2469 -0.1060524 1.551658 
1 1 1   -1    6   20 o   72.982   0.7008  5170.15   99.267  5112.31  138.714  5230.87  142.116   72.564   0.9848   73.400   0.9974 -0.8363113 1.401648 
1 1 1   -1    6   21 f   35.606   0.7466  1230.17   51.587  1267.62   74.179  1195.09   71.789   36.131   1.0576   35.082   1.0542 1.048923 1.493293 
1 1 1   -1    6   22 o   88.050   0.7854  7529.66  134.225  7408.77  189.735  7650.78  189.911   87.342   1.1191   88.758   1.1022 -1.415871 1.570759 
1 1 1   -1    6   23 o   59.861   0.6957  3474.48   80.754  3597.22  117.540  3364.76  111.134   60.860   0.9949   58.862   0.9726 1.998566 1.391355 
1 1 1   -1    6   24 o   47.620   0.7446  2202.49   68.832  2224.58   97.859  2180.85   96.834   47.857   1.0534   47.384   1.0528 0.4726486 1.489279 
1 1 1   -1    6   25 o   55.572   0.7214  2994.46   77.749  3139.41  112.848  2863.48  107.271   56.849   1.0226   54.294   1.0178 2.555527 1.442787 
1 1 1   -1    6   26 o   54.309   0.7667  2867.16   80.784  2821.29  115.689  2910.81  112.854   53.884   1.1060   54.734   1.0622 -0.8506203 1.533463 
1 1 1   -1    6   27 o   63.741   0.7701  3947.22   95.254  4006.62  136.753  3891.24  132.755   64.206   1.0972   63.276   1.0808 0.9300079 1.540137 
1 1 1   -1    6   28 o   37.075   0.9250  1337.70   66.532  1277.31   93.732  1399.03   94.455   36.230   1.3328   37.921   1.2832 -1.690498 1.850070 
1 1 1   -1    6   29 o   67.075   0.7938  4378.46  103.348  4425.44  146.542  4331.98  145.772   67.433   1.1195   66.717   1.1256 0.7168655 1.587510 
1 1 1   -1    6   30 o   76.726   0.8277  5737.24  123.279  5691.11  174.294  5783.42  174.391   76.416   1.1750   77.036   1.1662 -0.6196518 1.655466 
1 1 1   -1    6   31 o   63.078   0.8046  3882.63   98.521  3899.58  139.012  3865.52  139.651   63.218   1.1328   62.938   1.1430 0.2796783 1.609270 
1 1 1   -1    6   32 o   24.325   1.3480  588.458   63.470  625.131   88.627  549.847   90.938   25.129   1.8169   23.521   1.9917 1.608109 2.695948 
1 1 1   -1    6   33 f   30.358   1.1568  913.176   68.090  949.412   95.438  875.610   97.173   30.989   1.5865   29.726   1.6840 1.263145 2.313635 
1 1 1   -1    6   34 o   25.070   1.3692  631.431   66.610  632.631   95.481  630.293   92.972   25.082   1.9610   25.058   1.9114 0.2458572E-01 2.738423 
1 1 1   -1    6   35 o   23.119   1.5052  547.255   67.536  531.166   94.907  563.761   96.125   22.764   2.1477   23.474   2.1095 -0.7100677 3.010455 
1 1 1   -1    7    1 o   38.794   0.4031  1457.88   28.860  1451.45   35.625  1470.17   49.227   38.670   0.4746   38.919   0.6516 -0.2482338 0.8061113 
1 1 1   -1    7    2 o   76.382   1.5851  5666.45  234.966  5790.13  331.538  5541.63  333.052   77.220   2.2118   75.544   2.2712 1.676117 3.170180 
1 1 1   -1    7    3 o  203.714   1.6505 40286.75  652.630 39860.05  915.674 40727.30  930.419  202.618   2.3281  204.810   2.3402 -2.192001 3.301014 
1 1 1   -1    7    4 o  502.665   1.6361 245261.00  1595.94 243640.70  2226.92 246971.91  2288.34  500.960   2.2900  504.370   2.3373 -3.410461 3.272138 
1 1 1   -1    7    5 o   95.145   0.8940  8786.12  165.109  8887.46  235.026  8687.38  232.003   95.686   1.2653   94.603   1.2633 1.083153 1.788038 
1 1 1   -1    7    6 o  130.421   1.0082 16516.44  254.342 16566.03  345.747 16457.95  375.478  130.635   1.3634  130.207   1.4855 0.4286346 2.016379 
1 1 1   -1    7    7 o  132.463   0.9406 17014.02  234.838 16950.03  298.049 17118.79  381.367  132.139   1.1620  132.787   1.4795 -0.6489410 1.881260 
1 1 1   -1    7    8 o   38.530   0.4574  1441.60   32.751  1443.13   40.808  1438.85   54.899   38.559   0.5452   38.501   0.7346 0.5806351E-01 0.9147812 
1 1 1   -1    7    9 o  338.477   1.2710 111196.70  833.567 110422.40  1142.46 112078.20  1218.94  337.222   1.7453  339.732   1.8483 -2.509888 2.542099 
1 1 1   -1    7   10 o   83.590   0.7424  6766.83  116.716  6719.40  147.531  6846.17  190.824   83.201   0.9135   83.979   1.1706 -0.7785721 1.484797 
1 1 1   -1    7   11 o  194.844   1.0069 36852.28  380.820 37112.80  540.325 36595.14  536.814  195.529   1.4236  194.160   1.4243 1.368454 2.013743 
1 1 1   -1    7   12 o  237.093   1.0902 54567.96  501.771 54624.32  708.985 54511.39  710.238  237.215   1.5397  236.970   1.5440 0.2454224 2.180484 
1 1 1   -1    7   13 o  523.793   1.4681 266309.59  1492.55 270393.81  2131.77 262382.50  2090.39  527.731   2.0810  519.855   2.0715 7.875854 2.936223 
1 1 1   -1    7   14 o  221.481   1.0981 47620.44  472.124 47645.94  666.656 47594.78  668.716  221.541   1.5502  221.422   1.5558 0.1191101 2.196271 
1 1 1   -1    7   15 o   66.717   0.7443  4306.12   91.671  4367.49  156.503  4274.06  113.105   67.076   1.2020   66.357   0.8781 0.7192154 1.488526 
1 1 1   -1    7   16 o  117.128   0.8353 13315.45  189.903 13472.90  270.697 13162.86  266.480  117.809   1.1837  116.446   1.1789 1.363350 1.670604 
1 1 1   -1    7   17 o  222.555   1.1381 48091.79  491.663 47955.33  694.357 48229.00  696.281  222.238   1.6095  222.872   1.6094 -0.6332245 2.276126 
1 1 1   -1    7   18 o  194.024   1.1270 36589.05  423.550 36065.56  617.163 37055.13  582.335  192.707   1.6498  195.341   1.5357 -2.633759 2.253970 
1 1 1   -1    7   19 o  102.388   0.8277 10178.23  164.497 10096.12  232.181 10260.98  233.091  101.974   1.1729  102.803   1.1680 -0.8293381 1.655312 
1 1 1   -1    7   20 o  110.023   0.8726 11752.86  186.343 11536.69  261.628 11975.44  265.472  108.996   1.2365  111.049   1.2315 -2.053482 1.745180 
1 1 1   -1    7   21 o   60.882   0.6641  3598.72   78.477  3625.60  111.488  3572.32  110.486   61.107   0.9399   60.656   0.9384 0.4505920 1.328116 
1 1 1   -1    7   22 o   39.969   0.7273  1552.15   56.354  1534.61   81.622  1568.13   77.902   39.752   1.0577   40.185   0.9987 -0.4330292 1.454694 
1 1 1   -1    7   23 f  132.456   0.9744 17056.16  250.391 17320.47  349.717 16778.16  358.664  133.512   1.3494  131.399   1.4061 2.113022 1.948855 
1 1 1   -1    7   24 o  134.363   1.0732 17549.73  279.909 17686.24  396.769 17414.47  394.939  134.884   1.5153  133.843   1.5201 1.040985 2.146383 
1 1 1   -1    7   25 f   38.802   0.8163  1466.23   61.279  1416.78   89.536  1509.80   84.046   38.184   1.2080   39.421   1.0983 -1.237499 1.632629 
1 1 1   -1    7   26 o  103.074   0.9638 10328.35  192.816 10436.54  275.046 10223.80  270.380  103.604   1.3676  102.544   1.3583 1.060181 1.927538 
1 1 1   -1    7   27 o   53.980   0.7731  2832.00   81.011  2834.46  115.010  2829.58  114.128   54.003   1.0971   53.957   1.0896 0.4598618E-01 1.546266 
1 1 1   -1    7   28 o   42.660   0.8531  1769.47   70.557  1649.38   98.634  1895.33  100.971   41.176   1.2340   44.144   1.1783 -2.967846 1.706210 
1 1 1   -1    7   29 o   49.005   0.8052  2336.35   76.576  2255.80  107.120  2420.55  109.511   48.140   1.1463   49.869   1.1313 -1.728771 1.610499 
1 1 1   -1    7   30 o   65.534   0.7987  4182.93  101.579  4261.71  145.554  4108.13  141.828   66.134   1.1338   64.934   1.1252 1.200745 1.597349 
1 1 1   -1    7   31 o   53.730   0.8159  2817.76   85.093  2837.02  120.763  2798.76  119.921   53.912   1.1539   53.548   1.1537 0.3647652 1.631738 
1 1 1   -1    7   32 o   15.711   2.0820  271.425   61.320  116.462   86.375  428.888   87.069   10.696   3.5574   20.726   2.1642 -10.02971 4.163979 
1 1 1   -1    7   33 o   22.913   1.4872  526.270   66.059  490.947   92.421  563.165   94.455   22.109   2.1534   23.716   2.0517 -1.607161 2.974351 
1 1 1   -1    7   34 o   13.925   2.3981  216.560   65.756  283.644   93.799  151.733   92.208   16.163   3.1023   11.686   3.6578 4.477803 4.796227 
1 1 1   -1    7   35 o   12.537   2.5352  181.566   65.607  218.477   94.183  146.771   91.443   13.752   3.5149   11.322   3.6543 2.429378 5.070325 
1 1 1   -1    8    1 o  174.294   1.6095 29498.14  544.510 29842.57  770.405 29154.33  769.702  175.311   2.2638  173.277   2.2883 2.034149 3.218912 
1 1 1   -1    8    2 o  189.580   1.6318 34887.73  600.389 35978.41  855.640 33829.88  842.665  192.499   2.2898  186.661   2.3256 5.837250 3.263683 
1 1 1   -1    8    3 o  266.607   1.7067 69008.97  883.232 69108.22  1246.27 68908.83  1251.90  266.799   2.4064  266.414   2.4207 0.3855896 3.413303 
1 1 1   -1    8    4 o   74.649   0.7701  5402.21  111.388  5516.79  163.160  5302.19  152.439   75.390   1.1149   73.909   1.0625 1.480598 1.540107 
1 1 1   -1    8    5 o   46.740   0.5668  2120.47   51.421  2121.73   72.405  2119.20   73.039   46.754   0.7978   46.726   0.8053 0.2788925E-01 1.133532 
1 1 1   -1    8    6 o  449.042   1.5926 195780.91  1388.18 196918.80  1975.92 194671.80  1950.68  450.329   2.2603  447.754   2.2443 2.575348 3.185282 
1 1 1   -1    8    7 o  263.375   1.3432 67424.47  680.192 67813.55  903.151 66914.55  1033.93  264.264   1.7606  262.486   2.0292 1.777863 2.686491 
1 1 1   -1    8    8 o  113.549   0.8907 12533.43  190.135 12581.75  240.826 12453.46  309.802  113.844   1.0898  113.254   1.4092 0.5895462 1.781386 
1 1 1   -1    8    9 o  447.059   1.5197 194054.80  1304.28 193727.00  1720.82 194497.41  1999.44  446.637   1.9848  447.480   2.3018 -0.8434448 3.039363 
1 1 1   -1    8   10 o  169.680   0.9428 27947.32  310.510 27613.48  437.028 28287.64  441.257  168.657   1.3349  170.703   1.3316 -2.046463 1.885509 
1 1 1   -1    8   11 o   55.518   0.5997  2990.45   62.549  2986.47   79.040  2997.12  102.312   55.469   0.7341   55.567   0.9485 -0.9809113E-01 1.199381 
1 1 1   -1    8   12 o   56.097   0.6129  3075.92   64.616  2967.18  104.553  3143.12   82.192   55.289   0.9742   56.906   0.7441 -1.616234 1.225811 
1 1 1   -1    8   13 o  159.572   1.0801 24614.45  324.720 24293.41  410.977 25147.88  529.763  158.197   1.3383  160.948   1.6956 -2.751556 2.160141 
1 1 1   -1    8   14 o  423.994   1.3888 174515.70  1141.89 174058.50  1578.68 175017.30  1653.68  423.415   1.9207  424.574   2.0065 -1.159027 2.777604 
1 1 1   -1    8   15 o  169.251   1.0015 27808.87  329.030 27799.76  465.690 27817.96  464.949  169.224   1.4177  169.279   1.4149 -0.5545044E-01 2.002945 
1 1 1   -1    8   16 o  202.182   1.1224 39662.28  438.991 39396.71  595.472 39978.44  649.724  201.444   1.5228  202.921   1.6494 -1.477066 2.244901 
1 1 1   -1    8   17 o  187.564   1.0618 34157.34  386.579 34049.52  546.848 34265.06  546.564  187.268   1.5043  187.860   1.4988 -0.5920258 2.123518 
1 1 1   -1    8   18 o  110.534   0.8341 11860.40  178.957 11629.74  251.524 12096.87  254.671  109.445   1.1839  111.622   1.1753 -2.176643 1.668251 
1 1 1   -1    8   19 o  103.797   0.8031 10460.30  161.805 10497.41  228.612 10423.05  229.042  103.982   1.1326  103.612   1.1388 0.3691330 1.606113 
1 1 1   -1    8   20 o   91.932   0.8782  8234.38  152.569  8328.06  195.241  8087.44  244.508   92.611   1.0860   91.252   1.3803 1.359406 1.756360 
1 1 1   -1    8   21 o   72.468   0.7030  5098.64   98.873  4979.53  139.007  5220.61  140.663   71.611   1.0000   73.325   0.9882 -1.713364 1.405908 
1 1 1   -1    8   22 o  110.618   0.8879 11884.50  190.609 11939.48  272.749 11832.02  266.485  110.867   1.2673  110.369   1.2438 0.4984131 1.775749 
1 1 1   -1    8   23 o   83.726   0.9662  6762.03  148.275  6663.50  181.252  6961.38  257.812   82.826   1.1273   84.626   1.5694 -1.800125 1.932333 
1 1 1   -1    8   24 o   75.978   0.7819  5607.50  115.315  5635.67  163.444  5579.57  162.718   76.168   1.1054   75.788   1.1060 0.3801041 1.563749 
1 1 1   -1    8   25 f   23.495   1.2201  543.328   54.871  445.954   78.433  636.667   76.791   21.404   1.8878   25.586   1.5461 -4.182787 2.440109 
1 1 1   -1    8   26 o   79.276   0.8221  6107.18  126.500  5962.19  177.959  6255.27  179.852   78.324   1.1705   80.228   1.1549 -1.903427 1.644287 
1 1 1   -1    8   27 o   85.526   0.8604  7111.38  142.840  7057.80  201.119  7165.91  202.906   85.201   1.2160   85.851   1.2175 -0.6498642 1.720797 
1 1 1   -1    8   28 o   47.511   0.8171  2194.33   75.334  2278.03  107.752  2114.29  105.366   48.397   1.1469   46.624   1.1642 1.773201 1.634250 
1 1 1   -1    8   29 o   87.915   0.8763  7526.62  149.544  7618.30  212.719  7437.03  210.276   88.444   1.2390   87.386   1.2396 1.058723 1.752644 
1 1 1   -1    8   30 o   44.777   1.0655  1895.99   85.674  2127.00  157.829  1799.48  102.011   46.594   1.7450   42.959   1.2233 3.635204 2.131048 
1 1 1   -1    8   31 o   33.542   1.0373  1103.08   67.430  1025.96   95.010  1181.34   95.716   32.350   1.5130   34.734   1.4196 -2.384094 2.074670 
1 1 1   -1    8   32 o   14.134   2.2596  214.432   61.168  269.628   86.999  160.474   86.018   16.043   2.9003   12.225   3.4657 3.817863 4.519174 
1 1 1   -1    8   33 o   26.762   1.2915  714.007   66.913  654.822   94.614  773.229   94.644   25.623   1.9022   27.902   1.7474 -2.279028 2.583029 
1 1 1   -1    8   34 o   19.623   1.7639  396.366   66.593  463.691   95.754  333.299   92.676   21.315   2.3142   17.930   2.6627 3.385456 3.527816 
1 1 1   -1    8   35 o   35.818   1.0911  1282.48   75.774  1216.98  107.354  1347.51  106.968   34.877   1.5857   36.758   1.4991 -1.881058 2.182118 
1 1 1   -1    9    1 o  146.980   1.2457 20966.23  355.357 21373.96  507.042 20572.64  498.176  148.383   1.7603  145.575   1.7629 2.808075 2.491303 
1 1 1   -1    9    2 o  138.437   1.1694 18603.78  314.262 18687.65  444.686 18520.09  444.180  138.749   1.6510  138.126   1.6566 0.6235046 2.338867 
1 1 1   -1    9    3 o  289.198   1.7311 81198.88  971.833 81603.13  1375.88 80796.41  1372.88  289.916   2.4448  288.479   2.4516 1.436829 3.462296 
1 1 1   -1    9    4 o  217.529   1.5315 46048.83  635.625 45341.12  991.229 46543.08  828.356  216.100   2.3629  218.958   1.9489 -2.857330 3.062964 
1 1 1   -1    9    5 o  398.310   1.5305 153999.00  1183.00 152615.50  1648.79 155467.00  1698.35  396.468   2.1424  400.152   2.1864 -3.683838 3.061079 
1 1 1   -1    9    6 o  167.561   1.1755 27252.32  382.287 26861.61  535.241 27659.19  546.196  166.336   1.6577  168.787   1.6670 -2.451111 2.350935 
1 1 1   -1    9    7 o  283.016   1.3124 77913.49  707.205 78443.66  916.668 77133.94  1111.55  284.224   1.6614  281.809   2.0319 2.415161 2.624715 
1 1 1   -1    9    8 o  252.874   1.3125 62221.28  629.735 62689.42  810.763 61509.34  999.821  254.090   1.6438  251.658   2.0467 2.432098 2.625034 
1 1 1   -1    9    9 o   63.158   0.6271  3884.18   73.685  3914.88   92.089  3829.56  122.849   63.507   0.7470   62.809   1.0076 0.6979065 1.254286 
1 1 1   -1    9   10 o  249.527   1.2227 60301.58  580.438 59717.07  748.014 61186.18  920.212  248.018   1.5537  251.036   1.8884 -3.018646 2.445374 
1 1 1   -1    9   11 o  483.772   1.4655 227209.50  1376.21 228232.50  1957.69 226210.00  1935.02  484.848   2.0800  482.696   2.0651 2.151947 2.931095 
1 1 1   -1    9   12 o   46.558   0.5781  2111.67   50.098  2131.48   62.679  2076.62   83.365   46.862   0.6890   46.254   0.9285 0.6075478 1.156209 
1 1 1   -1    9   13 o  342.269   1.3178 113862.70  871.159 112395.20  1294.22 115078.40  1177.98  340.246   1.9595  344.293   1.7626 -4.047058 2.635592 
1 1 1   -1    9   14 o  230.728   1.1069 51680.11  495.761 51645.61  701.720 51714.48  700.505  230.651   1.5673  230.805   1.5635 -0.1538696 2.213793 
1 1 1   -1    9   15 o  118.338   1.1253 13550.60  255.769 13298.61  336.563 13895.05  393.500  117.042   1.4814  119.634   1.6944 -2.591995 2.250678 
1 1 1   -1    9   16 o  155.424   0.9714 23451.27  293.070 23546.83  415.526 23356.68  413.409  155.739   1.3745  155.109   1.3730 0.6300507 1.942771 
1 1 1   -1    9   17 o  236.401   1.1578 54265.00  531.305 54135.54  751.322 54394.50  751.434  236.119   1.6392  236.683   1.6355 -0.5643311 2.315582 
1 1 1   -1    9   18 o  128.734   0.9179 16082.72  229.144 16268.56  332.650 15914.91  316.100  129.440   1.3239  128.027   1.2719 1.412598 1.835883 
1 1 1   -1    9   19 o   43.421   0.7853  1819.64   62.420  1862.85  108.685  1798.37   76.250   43.801   1.2783   43.041   0.9126 0.7604523 1.570626 
1 1 1   -1    9   20 o  149.398   0.9906 21677.43  287.262 21452.11  404.366 21906.99  408.160  148.614   1.4017  150.182   1.4001 -1.567505 1.981135 
1 1 1   -1    9   21 o   67.542   0.6719  4429.35   88.088  4477.64  124.895  4381.54  124.258   67.908   0.9475   67.175   0.9529 0.7328033 1.343769 
1 1 1   -1    9   22 o  117.984   0.9292 13519.30  212.639 13444.36  294.470 13600.94  307.380  117.644   1.2895  118.323   1.3383 -0.6792526 1.858396 
1 1 1   -1    9   23 o  140.449   1.0602 19171.20  288.680 19194.10  418.971 19150.49  398.322  140.524   1.5359  140.374   1.4618 0.1501465 2.120343 
1 1 1   -1    9   24 o  103.979   0.9033 10503.62  182.285 10615.03  260.687 10397.03  254.987  104.518   1.2849  103.441   1.2699 1.077393 1.806517 
1 1 1   -1    9   25 o   72.667   0.7617  5130.38  107.444  5074.45  151.907  5186.39  151.991   72.270   1.0828   73.064   1.0716 -0.7935333 1.523453 
1 1 1   -1    9   26 o   38.029   0.8762  1405.34   64.659  1457.89   92.353  1354.81   90.558   38.727   1.2285   37.332   1.2496 1.395111 1.752365 
1 1 1   -1    9   27 f   63.203   0.7822  3882.09   95.940  3748.99  134.781  4018.81  136.598   62.104   1.1180   64.302   1.0943 -2.198059 1.564463 
1 1 1   -1    9   28 o   28.551   1.1575  794.837   64.043  789.520   93.128  799.608   88.214   28.457   1.6859   28.645   1.5864 -0.1886292 2.314961 
1 1 1   -1    9   29 o   32.197   1.0579  1010.51   66.094  1048.12   94.964  975.167   92.045   32.778   1.4925   31.616   1.4998 1.162090 2.115851 
1 1 1   -1    9   30 o   53.456   0.8090  2781.01   83.883  2929.72  121.089  2643.80  116.312   54.829   1.1377   52.083   1.1504 2.746502 1.617981 
1 1 1   -1    9   31 o   15.492   2.0782  247.088   61.039  221.773   87.247  271.359   85.428   14.527   3.1819   16.456   2.6743 -1.928872 4.156475 
1 1 1   -1    9   32 o   21.097   1.5594  446.055   62.700  559.242   90.911  343.377   86.588   23.717   1.9746   18.477   2.4142 5.240948 3.118888 
1 1 1   -1    9   33 o   13.985   2.4162  214.332   65.139  232.861   92.679  196.243   91.573   14.615   3.3398   13.355   3.4927 1.260474 4.832469 
1 1 1   -1    9   34 o   23.798   1.4230  572.374   65.427  506.770   91.939  639.685   93.127   22.365   2.1177   25.231   1.9014 -2.865211 2.846037 
1 1 1   -1   10    1 o  198.025   1.6379 38070.12  629.580 38028.01  885.973 38113.08  894.814  197.915   2.3061  198.136   2.3265 -0.2208099 3.275773 
1 1 1   -1   10    2 o  274.237   1.7100 73016.02  910.306 73204.27  1284.47 72826.05  1290.28  274.593   2.4097  273.882   2.4269 0.7108459 3.420060 
1 1 1   -1   10    3 o  156.918   1.4483 23833.86  423.112 23657.04  527.277 24153.61  709.062  156.108   1.7400  157.727   2.3159 -1.619400 2.896686 
1 1 1   -1   10    4 o  162.276   1.2773 25564.98  402.365 25727.71  569.213 25402.46  568.847  162.792   1.8013  161.760   1.8116 1.032516 2.554676 
1 1 1   -1   10    5 o  170.843   1.3566 28356.18  449.466 28841.10  625.448 27838.31  646.349  172.356   1.8694  169.330   1.9664 3.025497 2.713168 
1 1 1   -1   10    6 f  128.523   1.0501 16036.75  261.979 16098.31  371.222 15975.68  369.770  128.768   1.4851  128.277   1.4850 0.4914093 2.100167 
1 1 1   -1   10    7 f  108.748   0.9660 11479.39  203.902 11274.97  285.885 11691.04  290.901  107.763   1.3667  109.733   1.3657 -1.970352 1.932035 
1 1 1   -1   10    8 o  283.113   1.2431 77766.14  671.949 77474.24  873.743 78188.70  1051.24  282.475   1.5934  283.752   1.9085 -1.276520 2.486281 
1 1 1   -1   10    9 o  188.468   1.1538 34500.34  419.753 34609.91  564.951 34365.32  627.151  188.806   1.5415  188.130   1.7173 0.6754303 2.307647 
1 1 1   -1   10   10 o  135.610   0.9622 17849.47  246.238 17841.32  313.398 17862.62  398.054  135.572   1.1909  135.648   1.5117 -0.7585144E-01 1.924416 
1 1 1   -1   10   11 o  157.050   1.2861 23971.56  389.505 23703.81  583.722 24186.48  522.961  156.257   1.9244  157.844   1.7068 -1.586990 2.572260 
1 1 1   -1   10   12 o  178.502   1.0484 30910.64  360.919 30760.31  483.100 31100.53  542.962  178.012   1.3980  178.991   1.5627 -0.9788666 2.096793 
1 1 1   -1   10   13 o  274.625   1.1626 73214.34  619.766 73591.83  878.865 72840.91  874.116  275.329   1.6444  273.921   1.6439 1.408295 2.325184 
1 1 1   -1   10   14 o  230.858   1.1077 51738.30  496.391 51958.15  702.539 51519.12  701.469  231.348   1.5644  230.368   1.5686 0.9796295 2.215370 
1 1 1   -1   10   15 o  116.815   0.8466 13245.47  191.952 13203.99  269.201 13288.37  273.778  116.629   1.1891  117.001   1.2054 -0.3718262 1.693207 
1 1 1   -1   10   16 o  118.434   0.8633 13616.75  198.463 13606.48  281.161 13626.95  280.178  118.390   1.2234  118.479   1.2182 -0.8914948E-01 1.726512 
1 1 1   -1   10   17 o  201.334   1.0932 39359.21  427.236 39251.57  603.644 39467.25  604.765  201.059   1.5467  201.610   1.5453 -0.5517120 2.186332 
1 1 1   -1   10   18 o   57.676   0.6232  3229.26   69.754  3141.58   98.321  3318.12   98.977   56.887   0.8904   58.464   0.8721 -1.576820 1.246329 
1 1 1   -1   10   19 o  106.830   0.8321 11080.05  172.559 10963.56  242.768 11199.00  245.322  106.263   1.1769  107.397   1.1767 -1.134895 1.664280 
1 1 1   -1   10   20 o  112.073   0.8594 12197.37  186.948 11943.67  263.438 12454.74  265.340  110.898   1.2237  113.247   1.2070 -2.348701 1.718835 
1 1 1   -1   10   21 o   79.565   0.7336  6147.65  113.298  6115.06  160.763  6179.81  159.699   79.355   1.0436   79.775   1.0313 -0.4195023 1.467199 
1 1 1   -1   10   22 o  116.330   0.8925 13145.54  201.543 13173.10  285.196 13118.04  284.853  116.451   1.2616  116.208   1.2628 0.2436981 1.785017 
1 1 1   -1   10   23 o   46.367   0.9011  2123.00   77.329  2209.86   96.943  1971.03  128.224   47.700   1.0470   45.034   1.4668 2.666004 1.802106 
1 1 1   -1   10   24 o  115.661   1.2130 13114.16  261.459 13391.84  328.713 12635.91  431.392  117.376   1.4427  113.946   1.9503 3.430679 2.425930 
1 1 1   -1   10   25 o   51.015   0.7401  2525.39   73.226  2596.33  106.373  2461.50  100.953   51.695   1.0600   50.336   1.0332 1.358925 1.480249 
1 1 1   -1   10   26 o   86.700   0.8599  7307.28  144.710  7304.32  205.832  7310.17  203.489   86.681   1.2233   86.718   1.2088 -0.3631592E-01 1.719787 
1 1 1   -1   10   27 o  116.376   1.0640 13177.87  240.327 13368.99  343.432 12994.47  336.422  117.201   1.5095  115.550   1.4999 1.651245 2.127970 
1 1 1   -1   10   28 o   67.101   0.7869  4373.42  102.412  4513.06  148.654  4247.27  141.292   68.118   1.1242   66.084   1.1014 2.033478 1.573844 
1 1 1   -1   10   29 o   97.593   0.9388  9280.85  177.828  9162.17  249.487  9403.42  253.535   96.959   1.3255   98.226   1.3297 -1.266983 1.877522 
1 1 1   -1   10   30 o   32.438   1.0542  1027.34   66.279  1048.60   96.868  1008.61   90.882   32.748   1.5238   32.127   1.4573 0.6204109 2.108468 
1 1 1   -1   10   31 o   12.504   2.1760  155.536   61.808   32.833   87.382  278.392   87.437   8.3553   3.4094   16.653   2.7049 -8.297371 4.352081 
1 1 1   -1   10   32 o   41.216   0.8997  1664.86   71.953  1730.06  102.717  1602.05  100.823   42.012   1.2595   40.420   1.2850 1.592201 1.799315 
1 1 1   -1   10   33 o   19.913   1.6905  402.260   65.340  405.311   93.068  399.295   91.754   19.984   2.3991   19.841   2.3823 0.1427879 3.380953 
1 1 1   -1   10   34 o   21.378   1.5770  465.419   65.434  459.021   91.594  472.087   93.512   21.232   2.2224   21.525   2.2380 -0.2929440 3.154007 
1 1 1   -1   11    1 o  166.468   1.2790 26902.30  413.286 27089.93  583.468 26713.39  585.487  167.051   1.7993  165.886   1.8182 1.165329 2.557995 
1 1 1   -1   11    2 o  230.683   1.6789 51635.10  751.570 50471.83  1046.31 52875.07  1080.26  228.001   2.3641  233.365   2.3847 -5.364410 3.357895 
1 1 1   -1   11    3 o  156.870   1.2423 23886.04  378.259 23617.95  531.072 24162.07  538.891  155.976   1.7540  157.763   1.7597 -1.786377 2.484543 
1 1 1   -1   11    4 o  170.671   1.4882 28094.26  475.445 27591.03  595.348 28980.27  789.956  168.582   1.8193  172.760   2.3556 -4.177307 2.976308 
1 1 1   -1   11    5 o  182.688   1.5310 32482.53  533.177 32014.37  834.056 32806.05  693.344  181.564   2.3665  183.812   1.9432 -2.248627 3.062036 
1 1 1   -1   11    6 o  110.365   1.0111 11833.09  215.956 11734.12  317.263 11918.54  294.791  109.934   1.4867  110.797   1.3706 -0.8634949 2.022107 
1 1 1   -1   11    7 o  156.878   1.1454 23897.33  348.793 24125.44  493.838 23670.27  492.701  157.625   1.6140  156.130   1.6257 1.494507 2.290782 
1 1 1   -1   11    8 o  302.959   1.3272 89326.84  757.817 89962.39  964.360 88300.73  1225.35  304.390   1.6321  301.528   2.0935 2.861420 2.654492 
1 1 1   -1   11    9 o   90.446   0.7914  7931.17  135.101  7899.27  171.858  7982.77  218.583   90.209   0.9814   90.682   1.2417 -0.4725418 1.582746 
1 1 1   -1   11   10 o  297.656   1.3727 86255.50  778.396 87279.30  1011.45 84768.40  1219.01  299.837   1.7378  295.475   2.1253 4.362030 2.745323 
1 1 1   -1   11   11 o  275.577   1.2708 73772.30  668.432 73988.59  870.093 73460.81  1044.15  276.076   1.6236  275.079   1.9554 0.9967957 2.541579 
1 1 1   -1   11   12 o  192.202   1.1574 35872.49  421.791 35911.42  541.458 35812.40  672.676  192.339   1.4502  192.066   1.8042 0.2729950 2.314810 
1 1 1   -1   11   13 o  283.817   1.3052 78291.84  707.377 78696.86  922.180 77712.84  1102.58  284.717   1.6685  282.918   2.0076 1.799469 2.610492 
1 1 1   -1   11   14 o  307.235   1.2213 91633.92  728.339 92445.19  1035.64 90839.98  1024.51  308.580   1.7289  305.890   1.7254 2.690643 2.442556 
1 1 1   -1   11   15 o  210.300   1.0952 42934.10  447.095 42768.38  630.697 43101.51  633.891  209.892   1.5480  210.708   1.5498 -0.8158112 2.190434 
1 1 1   -1   11   16 o  253.973   1.1784 62627.87  580.979 62727.13  822.446 62529.01  820.815  254.174   1.6669  253.772   1.6662 0.4016724 2.356888 
1 1 1   -1   11   17 o  197.262   1.0853 37784.13  415.562 37769.07  589.867 37798.98  585.543  197.222   1.5408  197.301   1.5288 -0.7876587E-01 2.170551 
1 1 1   -1   11   18 o   90.116   0.7444  7884.79  130.210  7801.61  184.592  7967.16  183.702   89.643   1.0608   90.589   1.0447 -0.9464417 1.488819 
1 1 1   -1   11   19 o   94.147   0.8108  8605.36  148.166  8672.75  210.722  8539.46  208.376   94.511   1.1486   93.782   1.1446 0.7289429 1.621541 
1 1 1   -1   11   20 o   51.977   0.6484  2624.60   65.370  2573.72   93.735  2672.78   91.210   51.486   0.9379   52.468   0.8955 -0.9822578 1.296772 
1 1 1   -1   11   21 o  106.120   0.8464 10933.39  174.332 11187.86  249.409 10690.30  243.773  107.327   1.1971  104.913   1.1970 2.413734 1.692887 
1 1 1   -1   11   22 o   40.604   0.7478  1601.31   58.912  1597.27   84.625  1605.12   82.063   40.554   1.0750   40.654   1.0399 -0.1003952 1.495620 
1 1 1   -1   11   23 o  178.444   1.2737 30968.23  441.191 30741.89  622.408 31196.80  625.480  177.789   1.8035  179.100   1.7991 -1.311493 2.547387 
1 1 1   -1   11   24 o  144.628   1.1657 20347.66  326.996 20487.25  454.121 20197.35  471.237  145.150   1.6117  144.106   1.6846 1.043121 2.331408 
1 1 1   -1   11   25 f   69.051   0.7573  4630.30  101.466  4706.98  146.143  4558.94  140.984   69.602   1.0817   68.500   1.0603 1.101822 1.514646 
1 1 1   -1   11   26 o   50.053   0.7836  2438.19   76.035  2326.54  108.522  2545.85  106.564   48.924   1.1427   51.183   1.0726 -2.258381 1.567209 
1 1 1   -1   11   27 f   63.182   0.7892  3879.81   96.784  3788.56  135.933  3973.62  137.834   62.428   1.1217   63.936   1.1106 -1.507484 1.578478 
1 1 1   -1   11   28 o   39.592   0.8874  1529.65   67.949  1471.06   99.346  1581.15   93.143   38.872   1.3166   40.312   1.1903 -1.439354 1.774864 
1 1 1   -1   11   29 o   53.275   1.1457  2772.29  118.380  2770.48  171.021  2773.96  164.026   53.251   1.6545   53.299   1.5854 -0.4766464E-01 2.291418 
1 1 1   -1   11   30 o   55.858   0.7940  3041.53   86.068  2988.05  122.290  3094.02  121.156   55.368   1.1378   56.347   1.1077 -0.9795265 1.587923 
1 1 1   -1   11   31 o   28.668   1.1629  808.040   64.710  817.045   92.236  799.312   90.808   28.825   1.6484   28.512   1.6407 0.3128052 2.325788 
1 1 1   -1   11   32 o   49.817   0.8476  2424.33   81.859  2563.77  119.348  2300.46  112.490   51.165   1.2016   48.469   1.1956 2.696400 1.695109 
1 1 1   -1   11   33 o   11.488   2.4361  136.740   63.927   57.903   89.903  217.368   90.918   8.8985   3.5172   14.077   3.3716 -5.178906 4.872151 
1 1 1   -1   11   34 o   22.710   1.5279  524.971   67.253  546.967   94.124  502.026   96.130   23.231   2.0872   22.189   2.2318 1.042105 3.055763 
1 1 1   -1   12    1 o  325.492   1.7673 102862.20  1116.62 103959.40  1587.57 101788.10  1570.83  327.210   2.4994  323.775   2.4993 3.434998 3.534653 
1 1 1   -1   12    2 o   85.054   0.8651  7022.11  142.835  7036.15  202.689  7008.27  201.316   85.139   1.2264   84.970   1.2205 0.1687851 1.730255 
1 1 1   -1   12    3 o  134.200   1.1878 17483.99  309.403 17527.53  435.802 17439.74  439.344  134.368   1.6708  134.031   1.6886 0.3372345 2.375514 
1 1 1   -1   12    4 o  146.993   1.2442 20973.84  354.983 20723.17  497.748 21233.32  506.408  146.100   1.7551  147.887   1.7640 -1.787140 2.488388 
1 1 1   -1   12    5 o  366.069   1.8501 130187.00  1314.61 130273.20  1850.56 130099.30  1867.83  366.193   2.6033  365.945   2.6294 0.2479248 3.700136 
1 1 1   -1   12    6 o  120.071   1.0858 13981.01  251.799 14171.71  376.644 13826.90  338.584  120.808   1.6061  119.334   1.4616 1.474152 2.171608 
1 1 1   -1   12    7 o  236.603   1.3944 54417.90  634.042 53998.28  965.402 54736.20  840.798  235.790   2.1092  237.416   1.8244 -1.625854 2.788746 
1 1 1   -1   12    8 o  132.468   0.9593 17037.98  239.345 17043.46  303.758 17029.03  388.710  132.501   1.1810  132.436   1.5120 0.6455994E-01 1.918566 
1 1 1   -1   12    9 o  154.134   1.0241 23093.79  299.381 23207.44  384.907 22919.76  476.333  154.618   1.2824  153.650   1.5970 0.9681854 2.048194 
1 1 1   -1   12   10 o  114.924   0.9504 12830.27  209.379 12881.41  275.550 12760.39  322.078  115.197   1.2322  114.652   1.4472 0.5448380 1.900704 
1 1 1   -1   12   11 o  248.141   1.2767 59759.39  610.405 59646.59  814.737 59903.71  921.590  247.877   1.6932  248.404   1.9112 -0.5275574 2.553397 
1 1 1   -1   12   12 o  256.565   1.2673 63821.51  619.068 63482.78  799.966 64327.21  977.458  255.723   1.6115  257.406   1.9562 -1.683655 2.534508 
1 1 1   -1   12   13 o  216.636   1.2354 45659.12  508.594 46044.93  656.888 45081.68  803.617  217.787   1.5538  215.486   1.9212 2.300964 2.470863 
1 1 1   -1   12   14 o  154.158   1.1229 23058.67  326.141 23018.98  413.922 23123.66  529.649  153.988   1.3847  154.329   1.7680 -0.3410492 2.245711 
1 1 1   -1   12   15 o  200.449   1.2205 39108.16  465.221 39510.30  601.933 38511.60  733.148  201.738   1.5371  199.160   1.8964 2.578033 2.441077 
1 1 1   -1   12   16 o  135.333   0.9257 17754.45  242.754 18190.48  355.862 17374.96  331.992  136.884   1.3393  133.781   1.2784 3.102142 1.851465 
1 1 1   -1   12   17 o  233.252   1.1606 52833.58  525.476 52554.28  741.326 53115.63  744.959  232.633   1.6416  233.872   1.6409 -1.239166 2.321115 
1 1 1   -1   12   18 o   99.022   0.8017  9522.39  153.938  9462.80  222.389  9577.21  213.298   98.724   1.1604   99.320   1.1063 -0.5965195 1.603309 
1 1 1   -1   12   19 o   78.348   0.7110  5955.38  108.084  6100.35  155.723  5820.62  150.136   79.268   1.0120   77.429   0.9989 1.838432 1.421962 
1 1 1   -1   12   20 o  124.691   0.9956 15103.17  240.975 15080.69  342.346 15125.24  339.257  124.599   1.4154  124.784   1.4006 -0.1850052 1.991234 
1 1 1   -1   12   21 o  114.062   0.9016 12642.31  199.508 12805.20  278.587 12470.81  285.848  114.818   1.2499  113.306   1.2996 1.512550 1.803145 
1 1 1   -1   12   22 o  116.595   0.9242 13207.30  209.134 13190.73  292.653 13224.59  298.969  116.522   1.2938  116.669   1.3201 -0.1471329 1.848430 
1 1 1   -1   12   23 o  109.731   0.9671 11700.39  206.001 11784.84  292.142 11616.88  290.522  110.125   1.3666  109.337   1.3688 0.7878189 1.934241 
1 1 1   -1   12   24 o  117.536   1.0243 13428.58  233.701 13310.26  329.151 13548.86  331.871  117.014   1.4491  118.058   1.4481 -1.044273 2.048636 
1 1 1   -1   12   25 o  104.481   0.9690 10606.32  196.456 10885.44  282.702 10345.64  273.203  105.809   1.3764  103.154   1.3644 2.655251 1.938038 
1 1 1   -1   12   26 o   84.626   0.8441  6962.96  138.634  6910.16  197.494  7014.24  194.654   84.308   1.2068   84.944   1.1805 -0.6355438 1.688146 
1 1 1   -1   12   27 f   58.526   0.7960  3331.37   90.390  3245.64  128.498  3415.34  127.175   57.779   1.1457   59.274   1.1053 -1.494751 1.591923 
1 1 1   -1   12   28 o   37.630   0.9210  1378.87   67.259  1368.24   96.072  1389.10   94.194   37.486   1.3203   37.774   1.2846 -0.2878914 1.842075 
1 1 1   -1   12   29 o   8.2590   2.3342   24.744   59.111   73.056   84.305 -21.9746   82.904   9.4804   3.4864   7.0376   3.1048 2.442787 4.668477 
1 1 1   -1   12   30 o   34.006   1.0315  1131.08   67.708  1291.78   97.210  979.670   94.360   36.366   1.3770   31.645   1.5361 4.721014 2.062948 
1 1 1   -1   12   31 o   9.4667   2.3446   64.021   60.015  146.805   85.427 -16.6530   84.332   11.815   3.4859   7.1181   3.1363 4.697032 4.689121 
1 1 1   -1   12   32 o   30.038   1.1560  889.144   67.336  947.225   97.135  835.411   93.428   30.987   1.6148   29.089   1.6546 1.897997 2.311978 
1 1 1   -1   12   33 o   25.789   1.2915  665.317   64.426  611.296   91.991  717.320   90.258   24.723   1.9168   26.854   1.7314 -2.131399 2.583038 
1 1 1   -1   12   34 o   8.6324   2.4391   49.645   61.951   84.737   94.186   22.886   82.247   9.5849   3.6512   7.6800   3.2350 1.904908 4.878207 
1 1 1   -1   13    1 o  141.100   0.9719 19326.22  266.191 19423.49  376.724 19229.22  376.178  141.454   1.3720  140.745   1.3769 0.7092285 1.943726 
1 1 1   -1   13    2 o  227.944   1.5789 50582.57  690.578 51360.21  913.869 49547.41  1054.38  229.998   2.0469  225.889   2.4046 4.109497 3.157806 
1 1 1   -1   13    3 o  154.816   1.2638 23269.74  379.780 23274.36  535.289 23265.06  538.908  154.831   1.7810  154.800   1.7934 0.3125000E-01 2.527503 
1 1 1   -1   13    4 o  151.558   1.2714 22296.52  374.000 21894.72  523.411 22715.67  534.597  150.163   1.7956  152.953   1.8005 -2.789124 2.542872 
1 1 1   -1   13    5 o  138.512   1.1650 18613.25  313.096 18002.72  435.296 19267.67  450.673  136.161   1.6469  140.864   1.6482 -4.702393 2.329952 
1 1 1   -1   13    6 o  114.014   1.0367 12613.03  228.574 12715.55  339.017 12527.58  309.500  114.436   1.5261  113.591   1.4036 0.8455124 2.073466 
1 1 1   -1   13    7 o  112.704   1.0293 12337.80  224.328 12270.39  331.532 12394.72  304.663  112.419   1.5192  112.990   1.3890 -0.5711899 2.058507 
1 1 1   -1   13    8 o  121.149   1.0025 14248.02  235.744 14089.85  331.910 14409.05  334.895  120.470   1.4193  121.827   1.4161 -1.357025 2.004944 
1 1 1   -1   13    9 o  250.364   1.3095 60568.76  607.334 59905.98  751.652 61815.27  1030.81  248.412   1.5588  252.317   2.1046 -3.905716 2.618966 
1 1 1   -1   13   10 o   78.623   0.7303  5995.93  107.095  5984.86  133.961  6015.53  178.276   78.523   0.8788   78.723   1.1666 -0.1993637 1.460607 
1 1 1   -1   13   11 o   80.226   1.1963  5962.02  131.213  5851.06  141.285  6658.05  353.865   77.640   0.9374   82.811   2.2013 -5.170700 2.392619 
1 1 1   -1   13   12 o  299.644   1.3155 87163.43  752.845 87139.80  980.611 87197.37  1174.90  299.601   1.6861  299.686   2.0196 -0.8496094E-01 2.630942 
1 1 1   -1   13   13 o  380.238   1.4266 140393.80  1037.66 140489.30  1356.88 140259.41  1610.42  380.404   1.8375  380.072   2.1828 0.3322754 2.853231 
1 1 1   -1   13   14 o  211.108   1.2226 43396.05  490.452 43908.18  633.989 42632.81  773.976  212.670   1.5357  209.546   1.9028 3.124100 2.445180 
1 1 1   -1   13   15 o  165.285   1.1648 26549.87  368.561 26685.32  483.408 26361.82  569.578  165.793   1.5020  164.776   1.7807 1.016235 2.329607 
1 1 1   -1   13   16 o  227.893   1.2843 50379.75  556.194 50179.76  716.139 50683.75  882.955  227.334   1.6228  228.452   1.9910 -1.117111 2.568604 
1 1 1   -1   13   17 o   73.715   0.9270  5275.52  132.603  5254.50  185.016  5297.72  190.146   73.565   1.2956   73.866   1.3261 -0.3012924 1.853957 
1 1 1   -1   13   18 o  115.634   0.8593 12981.61  192.867 13053.99  274.465 12911.00  271.076  115.952   1.2194  115.315   1.2110 0.6365128 1.718546 
1 1 1   -1   13   19 o   49.392   0.6460  2368.92   61.892  2354.42   89.124  2382.42   86.016   49.245   0.9323   49.538   0.8945 -0.2924919 1.292027 
1 1 1   -1   13   20 o   61.159   0.6592  3632.37   78.242  3576.07  111.098  3687.77  110.208   60.688   0.9431   61.629   0.9212 -0.9410934 1.318328 
1 1 1   -1   13   21 o   91.773   0.8195  8179.79  145.970  8185.67  208.049  8174.09  204.853   91.805   1.1674   91.741   1.1503 0.6407166E-01 1.638947 
1 1 1   -1   13   22 o  126.296   0.9459 15498.15  231.887 15507.12  328.453 15489.22  327.424  126.332   1.3393  126.260   1.3359 0.7259369E-01 1.891701 
1 1 1   -1   13   23 o  152.195   1.1522 22520.02  340.393 22739.62  482.718 22302.84  480.069  152.933   1.6260  151.456   1.6329 1.476974 2.304389 
1 1 1   -1   13   24 o   68.329   0.7545  4535.42  100.075  4534.73  142.166  4536.11  140.896   68.323   1.0719   68.334   1.0622 -0.1094055E-01 1.509046 
1 1 1   -1   13   25 o   84.420   0.8214  6925.73  134.608  6951.61  191.199  6900.30  189.541   84.576   1.1646   84.264   1.1588 0.3122101 1.642859 
1 1 1   -1   13   26 o   40.881   0.8841  1626.68   70.088  1571.34  100.273  1679.55   98.006   40.199   1.2850   41.564   1.2147 -1.365242 1.768258 
1 1 1   -1   13   27 o   43.414   0.8570  1835.29   72.074  1788.85  104.548  1877.35   99.496   42.887   1.2558   43.941   1.1665 -1.054214 1.713967 
1 1 1   -1   13   28 o   32.200   1.0188  1007.03   63.504  1119.09   92.524  907.215   87.319   33.891   1.4064   30.509   1.4744 3.382198 2.037575 
1 1 1   -1   13   29 o   30.198   1.0876  889.601   63.626  904.654   93.282  876.504   87.008   30.431   1.5791   29.964   1.4959 0.4672909 2.175132 
1 1 1   -1   13   30 o   78.795   0.8431  6052.70  128.867  6131.98  186.281  5979.94  178.460   79.283   1.2104   78.306   1.1740 0.9773560 1.686229 
1 1 1   -1   13   31 o   26.474   1.2125  703.804   61.070  576.932   89.579  813.977   83.476   24.154   1.9105   28.794   1.4935 -4.639875 2.424968 
1 1 1   -1   13   32 o   54.712   0.8200  2934.61   86.874  2700.14  122.790  3169.61  122.928   52.502   1.2048   56.922   1.1125 -4.419868 1.639911 
1 1 1   -1   13   33 o   16.949   2.5267  356.740   75.695  418.996   90.385  210.533  138.513   20.331   2.2902   13.567   4.5046 6.763970 5.053330 
1 1 1   -1   13   34 o   23.004   2.0489  562.673   81.036  567.465   95.464  550.316  153.302   23.639   2.0803   22.369   3.5305 1.270586 4.097838 
1 1 1   -1   14    1 o   86.630   0.6870  7284.67  115.525  7304.54  163.530  7264.88  163.226   86.748   0.9711   86.512   0.9720 0.2358475 1.373958 
1 1 1   -1   14    2 o  126.141   1.0191 15432.87  243.913 15381.36  313.162 15512.32  388.903  125.876   1.2816  126.406   1.5849 -0.5292511 2.038273 
1 1 1   -1   14    3 o  110.360   1.0832 11824.29  232.047 11787.99  326.437 11861.37  329.918  110.189   1.5261  110.531   1.5376 -0.3421860 2.166444 
1 1 1   -1   14    4 o   43.579   0.5321  1840.19   44.949  1787.27   61.585  1900.51   65.754   42.910   0.7394   44.248   0.7655 -1.338280 1.064271 
1 1 1   -1   14    5 o   75.952   0.8222  5600.15  121.218  5581.19  170.335  5619.59  172.542   75.822   1.1573   76.082   1.1683 -0.2602081 1.644447 
1 1 1   -1   14    6 o  183.511   1.2855 32768.91  454.004 32175.35  685.388 33232.97  606.028  182.021   1.9398  185.001   1.6875 -2.980087 2.571085 
1 1 1   -1   14    7 o  239.717   1.4085 55754.35  647.990 56148.03  995.770 55465.21  853.406  240.440   2.1335  238.994   1.8395 1.446365 2.817005 
1 1 1   -1   14    8 o  233.065   1.4755 52733.28  667.230 53125.23  960.335 52367.50  927.721  233.900   2.1151  232.229   2.0580 1.671112 2.951059 
1 1 1   -1   14    9 o  286.833   1.3338 80013.79  718.231 80423.86  908.167 79329.00  1173.58  287.826   1.6254  285.839   2.1151 1.986511 2.667506 
1 1 1   -1   14   10 o   77.426   0.7259  5838.05  105.520  5895.62  133.599  5742.58  172.043   77.936   0.8831   76.916   1.1523 1.019501 1.451745 
1 1 1   -1   14   11 o  265.654   1.2681 68543.79  642.424 68685.97  834.432 68336.86  1006.66  265.998   1.6160  265.310   1.9546 0.6875916 2.536159 
1 1 1   -1   14   12 o  240.368   1.3569 56094.43  633.113 55950.38  897.976 56236.80  892.760  240.061   1.9270  240.675   1.9109 -0.6142426 2.713820 
1 1 1   -1   14   13 o  315.016   1.3504 96483.66  813.479 97163.62  1064.58 95529.49  1261.09  316.360   1.7335  313.672   2.0711 2.688019 2.700866 
1 1 1   -1   14   14 o  211.154   1.2349 43284.55  495.460 43275.14  638.370 43298.81  785.732  211.131   1.5576  211.176   1.9167 -0.4525757E-01 2.469824 
1 1 1   -1   14   15 f  138.613   1.0744 18610.05  280.272 18477.53  354.600 18830.64  457.510  137.962   1.3241  139.264   1.6924 -1.302582 2.148797 
1 1 1   -1   14   16 o  136.955   1.4278 18396.57  323.024 18562.63  370.769 17873.47  658.055  138.273   1.3813  135.637   2.4993 2.636429 2.855628 
1 1 1   -1   14   17 o  184.130   1.2164 32924.16  423.489 32907.71  540.729 32950.26  681.076  184.085   1.5132  184.176   1.9050 -0.9080505E-01 2.432869 
1 1 1   -1   14   18 o  108.212   0.9908 11432.86  200.606 11610.03  253.140 11133.75  328.913  109.352   1.1925  107.071   1.5825 2.280258 1.981521 
1 1 1   -1   14   19 o   83.174   0.8674  6647.52  133.605  6489.65  164.803  6950.21  228.201   81.755   1.0385   84.594   1.3897 -2.839066 1.734814 
1 1 1   -1   14   20 o   69.843   0.9447  4739.26  128.043  4799.67  179.741  4677.01  182.450   70.295   1.3172   69.390   1.3545 0.9055099 1.889375 
1 1 1   -1   14   21 o  140.691   1.0456 19232.34  285.566 19205.65  402.745 19259.32  404.967  140.594   1.4757  140.789   1.4818 -0.1956940 2.091264 
1 1 1   -1   14   22 o  137.048   1.3756 18436.91  351.643 18893.74  443.049 17659.26  578.053  139.408   1.6372  134.687   2.2109 4.721375 2.751117 
1 1 1   -1   14   23 o   47.106   0.8750  2180.11   76.892  2247.97   97.064  2065.77  125.995   48.109   1.0394   46.104   1.4078 2.004597 1.749936 
1 1 1   -1   14   24 o  147.074   1.2941 21048.98  369.454 21060.19  522.703 21037.78  522.271  147.113   1.8304  147.035   1.8298 0.7818604E-01 2.588154 
1 1 1   -1   14   25 o   87.867   0.8495  7495.92  144.791  7689.77  209.765  7319.50  200.107   88.949   1.2149   86.784   1.1878 2.165291 1.699063 
1 1 1   -1   14   26 o  145.813   1.2279 20705.49  347.551 20727.15  492.291 20683.97  490.736  145.889   1.7383  145.738   1.7346 0.1510315 2.455771 
1 1 1   -1   14   27 o   33.121   0.9900  1077.68   62.902  987.312   94.045  1150.83   84.615   31.845   1.5214   34.397   1.2672 -2.552330 1.980014 
1 1 1   -1   14   28 o   20.076   1.5453  405.881   58.520  316.684   86.375  481.566   79.564   17.953   2.4785   22.199   1.8464 -4.246035 3.090696 
1 1 1   -1   14   29 o   57.559   0.9629  3227.76  101.515  3219.70  124.389  3243.82  175.663   57.499   1.1144   57.618   1.5706 -0.1195984 1.925778 
1 1 1   -1   14   30 o   45.197   1.0622  1996.05   88.529  1989.93  109.254  2007.75  151.072   45.153   1.2465   45.242   1.7202 -0.8812332E-01 2.124339 
1 1 1   -1   14   31 f   29.141   1.3921  795.123   74.960  701.599   90.859  994.453  132.645   26.667   1.7552   31.615   2.1614 -4.948900 2.784298 
1 1 1   -1   14   32 o   42.584   1.1399  1836.74   88.261  1936.67  109.188  1648.37  149.919   44.436   1.2658   40.732   1.8961 3.703747 2.279783 
1 1 1   -1   14   33 o   21.263   2.1287  492.614   79.809  530.387   99.858  425.820  132.788   22.881   2.2482   19.645   3.6154 3.236311 4.257378 
1 1 1   -1   14   34 o   22.894   1.9804  542.382   80.970  526.339   96.804  579.747  147.736   22.691   2.1977   23.097   3.2950 -0.4061699 3.960729 
1 1 1   -1   15    1 o   83.576   0.6593  6780.32  106.965  6796.98  151.074  6763.57  151.471   83.679   0.9301   83.473   0.9348 0.2059631 1.318654 
1 1 1   -1   15    2 o  251.467   1.7232 61420.09  841.097 62540.12  1196.25 60325.01  1182.85  253.735   2.4287  249.199   2.4452 4.535446 3.446404 
1 1 1   -1   15    3 o  161.200   1.2566 25234.46  393.213 25370.32  555.777 25098.30  556.399  161.634   1.7713  160.765   1.7829 0.8694153 2.513247 
1 1 1   -1   15    4 o  116.736   1.0844 13227.95  245.672 13038.99  343.246 13426.42  351.778  115.882   1.5259  117.590   1.5411 -1.708565 2.168718 
1 1 1   -1   15    5 o   70.619   0.7670  4840.08  105.126  4922.28  150.152  4761.05  147.232   71.207   1.0863   70.032   1.0830 1.175888 1.533938 
1 1 1   -1   15    6 o   94.978   0.9594  8757.62  176.873  8737.63  248.606  8778.12  251.696   94.869   1.3500   95.088   1.3636 -0.2192993 1.918806 
1 1 1   -1   15    7 o  134.191   1.1140 17527.99  288.755 16987.58  426.327 17986.02  392.491  132.273   1.6604  136.109   1.4855 -3.836456 2.227910 
1 1 1   -1   15    8 o  170.478   1.2630 28246.74  414.976 27954.11  623.704 28479.16  555.866  169.682   1.8936  171.274   1.6719 -1.592209 2.526034 
1 1 1   -1   15    9 o  278.774   1.3894 75344.77  741.448 74823.47  969.393 76079.62  1150.96  277.620   1.7988  279.928   2.1181 -2.308044 2.778865 
1 1 1   -1   15   10 o  210.689   1.1675 43088.07  467.944 43073.38  604.309 43110.09  739.526  210.648   1.4779  210.730   1.8078 -0.8255005E-01 2.335038 
1 1 1   -1   15   11 o  174.459   1.1965 29579.03  384.144 29648.16  473.473 29445.86  657.122  174.764   1.3957  174.155   1.9438 0.6086731 2.392928 
1 1 1   -1   15   12 o  191.788   1.2206 35725.80  450.028 35830.90  596.877 35587.36  685.071  192.118   1.6005  191.457   1.8433 0.6603088 2.441178 
1 1 1   -1   15   13 o  100.141   0.9172  9816.97  174.383 10157.67  226.477  9320.84  273.299  102.295   1.1405   97.988   1.4368 4.307533 1.834458 
1 1 1   -1   15   14 o  107.044   0.9441 11066.53  188.409 10923.32  234.892 11324.89  315.498  106.080   1.1407  108.007   1.5048 -1.927452 1.888280 
1 1 1   -1   15   15 o  115.026   1.0425 12879.06  221.717 12956.85  274.940 12734.37  374.941  115.529   1.2260  114.522   1.6866 1.006157 2.085081 
1 1 1   -1   15   16 f  196.258   1.2381 37381.68  461.010 37299.53  592.020 37508.25  734.807  195.995   1.5561  196.521   1.9262 -0.5261841 2.476191 
1 1 1   -1   15   17 o  201.835   1.2714 39526.48  485.783 39376.79  621.060 39762.41  779.688  201.360   1.5889  202.309   1.9854 -0.9496460 2.542883 
1 1 1   -1   15   18 o  199.796   1.2687 38702.89  479.173 38460.02  610.735 39091.81  772.831  199.000   1.5810  200.592   1.9848 -1.592041 2.537487 
1 1 1   -1   15   19 o  183.064   1.3727 32525.55  469.097 32405.23  587.216 32737.75  779.838  182.630   1.6564  183.497   2.1893 -0.8662720 2.745312 
1 1 1   -1   15   20 o   53.740   0.7712  2820.59   77.495  2865.82   97.718  2743.94  127.217   54.328   0.9266   53.153   1.2330 1.175549 1.542331 
1 1 1   -1   15   21 o   86.407   0.9144  7327.01  147.532  7537.75  186.316  6972.75  241.565   88.100   1.0895   84.714   1.4690 3.386444 1.828884 
1 1 1   -1   15   22 o  181.038   1.4346 31935.41  494.093 32117.74  639.217 31664.78  778.776  181.727   1.8120  180.350   2.2245 1.377487 2.869112 
1 1 1   -1   15   23 f  105.586   1.0875 10832.84  215.646 10818.09  272.363 10857.62  353.035  105.511   1.3298  105.661   1.7212 -0.1497498 2.175089 
1 1 1   -1   15   24 o   25.707   1.3330  649.875   62.546  663.328   76.826  623.430  107.712   26.119   1.5153   25.295   2.1936 0.8230324 2.666067 
1 1 1   -1   15   25 o   49.077   0.9453  2352.72   85.493  2377.60  105.760  2305.80  145.230   49.466   1.1014   48.688   1.5366 0.7784462 1.890602 
1 1 1   -1   15   26 o   54.773   0.9548  2986.64   96.975  3177.52  122.704  2669.05  158.275   57.178   1.1055   52.369   1.5570 4.809299 1.909520 
1 1 1   -1   15   27 o   28.369   1.3602  764.009   71.975  713.547   88.856  860.296  122.741   27.060   1.6916   29.678   2.1306 -2.617853 2.720442 
1 1 1   -1   15   28 o   34.819   1.1666  1128.26   75.718  1001.06   92.826  1381.17  130.893   32.041   1.4924   37.597   1.7935 -5.555939 2.333234 
1 1 1   -1   15   29 f   43.384   1.2474  1834.87  105.047  1834.87  105.047   0.0000   0.0000   43.384   1.2474  ?   ?       ?      ? 
1 1 1   -1   15   30 o   9.1373   2.5998   42.396   68.440   29.559   85.717   64.971  113.673   8.2567   3.3739   10.018   3.9564 -1.761128 5.199629 
1 1 1   -1   15   31 o   40.168   1.1064  1600.46   81.406  1628.19  100.322  1547.00  139.293   40.775   1.2675   39.561   1.8138 1.213947 2.212818 
1 1 1   -1   15   32 o   30.450   1.3717  907.573   77.454  872.165   95.475  975.737  132.470   29.700   1.6561   31.201   2.1872 -1.501089 2.743425 
1 1 1   -1   15   33 o   22.416   1.8709  507.785   78.486  480.640   97.714  557.141  131.758   21.742   2.3152   23.090   2.9396 -1.347843 3.741840 
1 1 1   -1   15   34 o   28.903   1.6215  852.055   84.637  839.380  102.345  879.478  150.538   28.864   1.8266   28.941   2.6796 -0.7698631E-01 3.242937 
1 1 1   -1   16    1 o  196.221   1.2956 37382.31  488.051 37330.89  643.887 37451.74  748.221  196.071   1.6917  196.372   1.9628 -0.3009644 2.591272 
1 1 1   -1   16    2 o  158.324   1.1841 24288.69  357.396 24067.53  462.649 24615.98  562.815  157.439   1.5138  159.209   1.8211 -1.769699 2.368133 
1 1 1   -1   16    3 o  104.803   1.0885 10644.49  220.235 10856.85  330.596 10475.05  295.303  105.739   1.6106  103.867   1.4646 1.871796 2.176979 
1 1 1   -1   16    4 o   12.026   0.5863  148.607   12.884  175.833   16.729  108.920   20.198   13.459   0.6403   10.593   0.9823 2.866582 1.172538 
1 1 1   -1   16    5 o  136.058   1.1866 17973.96  313.375 17920.62  440.020 18028.87  446.406  135.854   1.6685  136.263   1.6877 -0.4090881 2.373236 
1 1 1   -1   16    6 o  203.954   1.4259 40398.55  564.494 40603.82  795.814 40190.69  800.839  204.476   2.0049  203.432   2.0280 1.044205 2.851747 
1 1 1   -1   16    7 o  131.862   1.1031 16853.96  280.844 17132.02  420.967 16630.94  377.007  132.839   1.6325  130.885   1.4839 1.953949 2.206112 
1 1 1   -1   16    8 o  201.111   1.3560 39284.96  524.671 39136.32  796.203 39399.04  697.542  200.770   2.0430  201.451   1.7838 -0.6807404 2.712093 
1 1 1   -1   16    9 o  337.769   1.6169 110681.40  1054.47 111616.00  1578.17 109927.60  1417.27  339.050   2.3979  336.488   2.1698 2.562744 3.233844 
1 1 1   -1   16   10 o  148.576   1.0681 21370.21  304.065 21073.35  397.885 21786.98  471.435  147.340   1.3911  149.811   1.6211 -2.470627 2.136180 
1 1 1   -1   16   11 o  187.711   1.1445 34125.95  407.645 33832.12  522.790 34581.69  651.094  186.686   1.4426  188.736   1.7772 -2.049057 2.288973 
1 1 1   -1   16   12 o  334.358   1.6200 108955.10  962.608 109559.70  1151.25 107550.10  1754.95  335.934   1.7654  332.783   2.7167 3.151489 3.239923 
1 1 1   -1   16   13 f  128.744   1.0440 15993.93  251.662 15731.72  315.345 16453.83  417.635  127.303   1.2761  130.185   1.6526 -2.882133 2.087956 
1 1 1   -1   16   14 o  303.515   1.4345 89520.19  843.623 90732.45  1162.72 88172.55  1225.92  305.690   1.9594  301.339   2.0958 4.351349 2.869061 
1 1 1   -1   16   15 o  169.339   1.1763 27754.35  376.361 27463.57  478.847 28224.30  608.742  168.189   1.4667  170.488   1.8394 -2.299347 2.352547 
1 1 1   -1   16   16 o   93.861   0.8989  8596.41  157.762  8716.91  198.798  8391.45  259.276   94.758   1.0808   92.964   1.4367 1.793655 1.797858 
1 1 1   -1   16   17 o  157.848   1.1843 24171.88  356.175 24056.66  460.926 24342.66  561.150  157.392   1.5086  158.304   1.8261 -0.9127350 2.368662 
1 1 1   -1   16   18 o  116.661   1.0975 13231.04  248.288 13661.76  347.474 12781.70  354.908  118.605   1.5092  114.717   1.5938 3.887733 2.194953 
1 1 1   -1   16   19 o   36.422   2.9603  1590.76   74.925  1617.28   76.705  1039.41  349.791   40.813   0.9682   32.031   5.8409 8.781654 5.920569 
1 1 1   -1   16   20 o   81.448   0.8618  6464.77  131.074  6523.63  164.669  6362.98  216.537   81.964   1.0350   80.933   1.3783 1.030701 1.723615 
1 1 1   -1   16   21 o  108.449   1.0229 11455.92  207.373 11534.08  260.743 11321.38  342.089  108.969   1.2327  107.928   1.6328 1.041214 2.045866 
1 1 1   -1   16   22 o  103.403   2.0023 10673.74  256.553 10749.42  273.289 10112.02  744.564  105.180   1.3385  101.625   3.7743 3.555321 4.004610 
1 1 1   -1   16   23 o   49.803   0.8394  2384.99   79.041  2305.09  100.171  2516.81  128.666   48.714   1.0593   50.892   1.3024 -2.177773 1.678810 
1 1 1   -1   16   24 o   45.304   0.8952  1996.66   76.237  2002.31   96.525  1987.29  124.297   45.397   1.0953   45.212   1.4163 0.1858673 1.790407 
1 1 1   -1   16   25 o   28.292   1.3133  759.548   70.255  697.762   88.351  865.798  115.860   26.775   1.6999   29.809   2.0022 -3.034174 2.626510 
1 1 1   -1   16   26 o   94.320   1.1118  8516.05  191.503  8250.80  232.367  9077.65  338.114   92.111   1.2996   96.530   1.8044 -4.418915 2.223687 
1 1 1   -1   16   27 o   28.722   1.3692  809.140   74.240  822.933   95.003  787.505  118.981   29.057   1.6843   28.387   2.1592 0.6705360 2.738449 
1 1 1   -1   16   28 o   66.256   0.9651  4317.24  119.334  4427.40  150.497  4130.67  195.851   67.443   1.1495   65.069   1.5506 2.374893 1.930200 
1 1 1   -1   16   29 o   29.454   1.3784  877.947   76.233  1004.77  101.051  710.431  116.136   32.050   1.6242   26.858   2.2276 5.191841 2.756851 
1 1 1   -1   16   30 o   30.271   1.3038  901.427   74.431  901.101   94.694  901.953  120.400   30.313   1.6093   30.230   2.0517 0.8266830E-01 2.607562 
1 1 1   -1   16   31 o   23.244   1.6876  538.724   74.866  524.565   96.865  559.732  117.985   22.931   2.1761   23.558   2.5800 -0.6271687 3.375190 
1 1 1   -1   16   32 o   29.204   1.4161  862.365   77.029  894.043   97.361  809.356  125.945   30.054   1.6689   28.354   2.2882 1.700157 2.832163 
1 1 1   -1   16   33 o   35.591   1.2786  1273.21   84.757  1293.04  106.476  1238.91  140.032   36.123   1.5185   35.060   2.0576 1.063652 2.557198 
1 1 1   -1   16   34 o   24.411   1.8466  595.265   84.101  523.712  103.242  736.399  144.997   22.499   2.3639   26.323   2.8376 -3.823839 3.693230 
1 1 1   -1   17    1 o  138.450   1.1336 18605.59  297.103 18579.74  380.053 18646.22  476.429  138.333   1.4153  138.567   1.7712 -0.2336426 2.267232 
1 1 1   -1   17    2 o  175.743   1.2430 29983.74  417.468 29940.46  544.397 30045.54  650.431  175.597   1.5971  175.889   1.9050 -0.2918701 2.485918 
1 1 1   -1   17    3 o   84.918   0.8557  7000.46  141.054  7076.56  199.949  6925.06  199.016   85.378   1.2064   84.459   1.2139 0.9189224 1.711444 
1 1 1   -1   17    4 o  171.550   1.3188 28579.87  439.152 28783.88  618.976 28373.10  623.155  172.167   1.8521  170.933   1.8780 1.234146 2.637658 
1 1 1   -1   17    5 o  151.202   1.2775 22187.77  374.838 21703.59  522.195 22702.42  538.377  149.502   1.7994  152.903   1.8139 -3.400864 2.554964 
1 1 1   -1   17    6 o   70.843   0.7723  4871.96  106.205  4902.34  149.932  4841.38  150.462   71.065   1.0869   70.621   1.0976 0.4433517 1.544629 
1 1 1   -1   17    7 o  113.304   1.0676 12462.47  234.774 12448.90  328.775 12476.58  335.365  113.242   1.4956  113.367   1.5239 -0.1253662 2.135257 
1 1 1   -1   17    8 o  278.573   1.5507 75389.02  837.238 74538.72  1214.81 76158.31  1155.48  277.073   2.2586  280.073   2.1253 -2.999908 3.101381 
1 1 1   -1   17    9 f  313.025   1.7027 95321.80  1018.12 94087.91  1582.60 96193.04  1329.83  311.283   2.6191  314.767   2.1764 -3.484100 3.405349 
1 1 1   -1   17   10 o  180.894   1.1574 31751.21  402.906 31652.70  535.292 31879.97  611.966  180.573   1.5271  181.216   1.7397 -0.6427917 2.314850 
1 1 1   -1   17   11 f  217.293   1.2426 45803.59  521.087 45519.74  699.094 46158.45  781.653  216.539   1.6632  218.047   1.8467 -1.508438 2.485246 
1 1 1   -1   17   12 o  158.711   1.0879 24551.87  327.350 24926.58  421.722 23983.87  519.223  160.244   1.3558  157.178   1.7018 3.066132 2.175786 
1 1 1   -1   17   13 o  163.098   1.1810 25892.87  356.432 26050.72  442.440 25601.00  601.622  163.814   1.3914  162.381   1.9086 1.433411 2.361938 
1 1 1   -1   17   14 o  234.932   1.2768 53758.37  571.798 54508.23  744.336 52678.73  893.139  236.946   1.6183  232.918   1.9754 4.027328 2.553618 
1 1 1   -1   17   15 o   95.789   0.9201  8897.06  165.083  8866.93  207.586  8948.88  272.286   95.572   1.1189   96.006   1.4610 -0.4345398 1.840278 
1 1 1   -1   17   16 o  188.786   1.2244 34596.93  437.254 34538.52  558.608 34689.32  702.610  188.594   1.5259  188.978   1.9153 -0.3845673 2.448801 
1 1 1   -1   17   17 o   74.386   0.8047  5359.23  112.037  5323.86  140.638  5420.67  185.350   74.054   0.9783   74.718   1.2779 -0.6642838 1.609418 
1 1 1   -1   17   18 o  118.808   1.0326 13637.48  229.447 13447.53  287.234 13972.40  381.408  117.680   1.2574  119.936   1.6382 -2.255295 2.065148 
1 1 1   -1   17   19 o   21.194   1.1702  445.496   47.115  499.944   63.178  377.270   70.721   22.686   1.4346   19.702   1.8492 2.984390 2.340432 
1 1 1   -1   17   20 o   24.506   1.1763  605.334   53.737  690.093   70.291  486.119   83.362   26.653   1.3586   22.360   1.9206 4.292929 2.352520 
1 1 1   -1   17   21 o   73.089   0.9455  5184.75  134.053  5326.06  194.036  5055.72  185.415   74.040   1.3501   72.138   1.3241 1.902077 1.890997 
1 1 1   -1   17   22 o  124.635   1.2543 15182.27  293.128 15405.72  370.936 14810.67  478.342  125.896   1.5178  123.375   1.9973 2.520378 2.508601 
1 1 1   -1   17   23 o   74.929   0.8869  5444.81  124.575  5414.99  156.764  5495.91  205.213   74.662   1.0816   75.196   1.4059 -0.5340652 1.773815 
1 1 1   -1   17   24 o   48.755   0.8681  2325.60   80.369  2388.15  104.177  2233.64  126.313   49.578   1.0825   47.933   1.3575 1.644878 1.736276 
1 1 1   -1   17   25 o   66.520   0.8985  4327.21  112.516  4408.60  143.379  4196.72  181.532   67.353   1.0966   65.687   1.4237 1.666794 1.797065 
1 1 1   -1   17   26 o  153.340   1.4098 23132.00  408.552 23873.09  525.966 22004.66  648.712  156.553   1.7307  150.128   2.2260 6.425812 2.819669 
1 1 1   -1   17   27 o   46.808   0.9752  2188.69   85.241  2374.01  109.572  1904.60  135.663   49.406   1.1425   44.211   1.5808 5.194805 1.950426 
1 1 1   -1   17   28 o   75.896   0.9848  5578.18  138.126  5496.08  170.350  5735.77  236.004   75.135   1.1680   76.658   1.5860 -1.522141 1.969646 
1 1 1   -1   17   29 o   59.357   0.9355  3433.45  104.266  3419.93  131.600  3456.25  170.890   59.240   1.1444   59.474   1.4802 -0.2333374 1.871018 
1 1 1   -1   17   30 o   23.430   1.5639  545.633   69.439  551.861   89.383  536.153  110.281   23.653   1.9467   23.206   2.4481 0.4469299 3.127763 
1 1 1   -1   17   31 o   17.927   2.1927  319.068   71.477  153.731   91.876  572.560  113.763   12.002   3.6325   23.852   2.4570 -11.85033 4.385446 
1 1 1   -1   17   32 o   16.170   2.4209  283.317   72.503  280.527   93.823  287.453  114.232   16.214   3.0938   16.126   3.7244 0.8839417E-01 4.841732 
1 1 1   -1   17   33 o   25.707   1.7125  701.243   80.312  767.335  101.287  589.325  131.805   27.662   1.8863   23.752   2.8587 3.909990 3.424956 
1 1 1   -1   17   34 o   25.016   1.8646  688.770   84.332  775.000  106.928  546.867  137.170   27.601   1.9957   22.430   3.1503 5.170946 3.729277 
1 1 1   -1   18    1 o  215.736   1.5250 45335.39  608.118 45636.79  753.979 44774.39  1028.67  216.788   1.7917  214.683   2.4684 2.104706 3.050078 
1 1 1   -1   18    2 o  177.953   1.2356 30746.00  420.355 30727.81  548.679 30771.85  654.050  177.897   1.5889  178.010   1.8928 -0.1135864 2.471256 
1 1 1   -1   18    3 o  130.235   1.1404 16467.85  288.306 16631.62  408.924 16305.98  406.539  130.879   1.6096  129.591   1.6161 1.287811 2.280882 
1 1 1   -1   18    4 o  101.853   1.0170 10071.17  201.064 10008.79  282.353 10135.35  286.386  101.534   1.4326  102.173   1.4439 -0.6396942 2.034021 
1 1 1   -1   18    5 o  196.001   1.4322 37298.10  544.806 36954.72  761.914 37657.36  779.324  195.079   2.0120  196.924   2.0387 -1.844528 2.864352 
1 1 1   -1   18    6 o  194.118   1.4040 36583.33  528.998 36379.65  741.198 36794.80  755.231  193.568   1.9726  194.668   1.9986 -1.100372 2.808098 
1 1 1   -1   18    7 o   73.360   0.8128  5223.96  115.745  5224.89  162.869  5223.02  164.519   73.367   1.1436   73.353   1.1554 0.1322937E-01 1.625657 
1 1 1   -1   18    8 o  234.693   1.4123 53565.35  637.805 52769.79  964.200 54184.28  850.455  233.137   2.1305  236.249   1.8545 -3.112396 2.824573 
1 1 1   -1   18    9 o  231.491   1.4147 52076.94  629.863 51639.61  955.791 52412.66  837.420  230.627   2.1349  232.355   1.8566 -1.728149 2.829328 
1 1 1   -1   18   10 o  109.122   0.8997 11515.99  186.456 11356.06  239.232 11763.48  297.600  108.162   1.1394  110.083   1.3927 -1.920555 1.799383 
1 1 1   -1   18   11 o  215.726   1.2574 45135.81  523.295 44787.58  700.853 45574.54  786.661  214.789   1.6809  216.662   1.8704 -1.873032 2.514752 
1 1 1   -1   18   12 o  102.576   0.9172 10207.67  179.265 10181.25  232.146 10246.69  282.142  102.413   1.1677  102.739   1.4147 -0.3257141 1.834385 
1 1 1   -1   18   13 o  135.520   1.0899 17857.51  278.476 17947.95  354.421 17711.59  450.187  135.973   1.3428  135.068   1.7170 0.9054871 2.179720 
1 1 1   -1   18   14 o  116.150   2.0913 13225.15  275.409 13252.51  289.533 12965.05  892.694  116.839   1.2766  115.460   3.9829 1.378212 4.182520 
1 1 1   -1   18   15 o  222.202   1.2900 47909.35  544.269 47766.35  699.899 48128.13  865.690  221.795   1.6256  222.610   2.0033 -0.8141937 2.579918 
1 1 1   -1   18   16 o  120.411   1.1241 14064.00  262.267 13822.41  358.876 14340.92  384.224  119.304   1.5496  121.518   1.6288 -2.213608 2.248210 
1 1 1   -1   18   17 o   67.274   0.7754  4394.95   97.798  4397.98  123.284  4389.79  160.622   67.307   0.9436   67.240   1.2306 0.6764221E-01 1.550708 
1 1 1   -1   18   18 o  206.977   1.3191 41609.87  516.146 41552.61  658.731 41700.92  830.707  206.820   1.6408  207.135   2.0660 -0.3157501 2.638274 
1 1 1   -1   18   19 o   91.867   0.9708  8118.43  160.889  7986.42  193.688  8412.26  288.964   90.687   1.1002   93.047   1.5998 -2.359772 1.941653 
1 1 1   -1   18   20 o  127.891   1.1084 15868.51  264.571 15801.25  331.063 15987.39  440.129  127.537   1.3372  128.245   1.7680 -0.7070160 2.216738 
1 1 1   -1   18   21 o   36.399   0.8817  1297.88   60.979  1343.64   79.333  1231.81   95.330   37.194   1.0988   35.605   1.3793 1.588688 1.763463 
1 1 1   -1   18   22 o  105.696   1.0738 10878.31  212.352 10932.05  267.211 10786.20  349.835  106.072   1.2977  105.320   1.7112 0.7519302 2.147605 
1 1 1   -1   18   23 o  158.110   1.4476 24318.70  442.079 24140.93  595.154 24537.51  660.297  157.490   1.9468  158.731   2.1430 -1.241348 2.895191 
1 1 1   -1   18   24 o  104.759   1.1207 10631.91  217.427 10529.29  269.110 10824.83  368.989  104.070   1.3321  105.448   1.8026 -1.378403 2.241431 
1 1 1   -1   18   25 o   97.798   1.1233  9290.83  203.549  9247.64  252.402  9371.16  344.235   97.514   1.3334   98.082   1.8080 -0.5676956 2.246522 
1 1 1   -1   18   26 o   70.119   0.9300  4682.25  121.469  4445.40  150.096  5131.76  206.779   67.622   1.1435   72.617   1.4669 -4.995087 1.859924 
1 1 1   -1   18   27 o   71.100   0.9522  4964.59  126.784  5091.72  160.635  4754.55  206.473   72.348   1.1438   69.852   1.5227 2.496574 1.904448 
1 1 1   -1   18   28 o   48.828   0.9427  2331.43   86.575  2355.49  109.933  2292.14  140.480   49.187   1.1514   48.469   1.4931 0.7173424 1.885462 
1 1 1   -1   18   29 o   44.083   0.9888  1905.84   82.286  1933.10  105.226  1862.94  132.021   44.523   1.2175   43.642   1.5584 0.8809013 1.977581 
1 1 1   -1   18   30 o   37.582   1.0815  1384.61   76.917  1381.12   98.354  1390.10  123.416   37.565   1.3488   37.598   1.6910 -0.3281021E-01 2.163015 
1 1 1   -1   18   31 o   40.266   1.0587  1599.69   81.296  1617.95  105.903  1573.47  126.853   40.601   1.3437   39.932   1.6365 0.6691742 2.117477 
1 1 1   -1   18   32 o   26.785   1.4916  714.994   75.908  695.141   97.273  745.911  121.388   26.398   1.8983   27.173   2.3013 -0.7749653 2.983224 
1 1 1   -1   18   33 o   38.781   1.2066  1493.14   87.669  1472.07  110.146  1529.55  144.816   38.544   1.4721   39.017   1.9121 -0.4724121 2.413101 
1 1 1   -1   18   34 o   20.066   2.5271  463.901   94.235  373.936  137.496  543.595  129.409   17.645   4.0935   22.488   2.9645 -4.843496 5.054203 
1 1 1   -1   19    1 o   36.801   1.4435  1185.36   33.956  1178.26   34.393  1459.92  213.830   34.841   0.5085   38.761   2.8419 -3.919613 2.887038 
1 1 1   -1   19    2 o   58.495   0.5876  3303.30   63.490  3263.48   78.292  3379.78  108.507   57.984   0.6956   59.006   0.9473 -1.022381 1.175257 
1 1 1   -1   19    3 o  285.695   1.8024 79281.62  999.320 78838.52  1396.36 79746.80  1430.77  284.879   2.5251  286.510   2.5726 -1.631531 3.604718 
1 1 1   -1   19    4 o  124.170   1.1063 14970.04  266.632 15159.51  376.719 14779.85  377.430  124.958   1.5531  123.382   1.5759 1.575211 2.212543 
1 1 1   -1   19    5 o  136.836   1.2193 18173.34  323.826 17908.02  452.763 18451.20  463.338  135.814   1.7174  137.858   1.7314 -2.044037 2.438671 
1 1 1   -1   19    6 o  253.597   1.5591 62443.13  767.441 62342.96  1078.23 62545.97  1092.56  253.392   2.1921  253.803   2.2176 -0.4111023 3.118164 
1 1 1   -1   19    7 o   66.836   0.7616  4335.91   98.807  4351.20  140.072  4320.76  139.398   66.953   1.0777   66.718   1.0763 0.2346268 1.523160 
1 1 1   -1   19    8 o  150.290   1.2425 21922.29  360.254 21968.40  540.494 21885.44  483.251  150.430   1.8509  150.149   1.6580 0.2810974 2.484941 
1 1 1   -1   19    9 o  256.833   1.4800 64016.11  730.243 64226.22  1116.67 63859.11  965.242  257.196   2.2366  256.471   1.9388 0.7251282 2.959981 
1 1 1   -1   19   10 o   55.164   0.7051  2953.89   75.495  2882.46  106.489  3026.07  107.045   54.494   1.0067   55.835   0.9876 -1.341122 1.410260 
1 1 1   -1   19   11 o  171.042   1.2791 28399.99  424.673 28598.98  604.798 28206.46  596.445  171.633   1.8153  170.451   1.8026 1.181580 2.558262 
1 1 1   -1   19   12 o  114.105   0.9840 12622.39  213.191 12558.31  273.994 12720.71  339.391  113.741   1.2410  114.469   1.5274 -0.7287521 1.967960 
1 1 1   -1   19   13 o  179.189   1.2173 31180.66  419.613 31226.66  557.569 31120.57  637.220  179.345   1.6016  179.033   1.8335 0.3119812 2.434516 
1 1 1   -1   19   14 o  138.605   1.0616 18604.79  277.799 18451.52  353.185 18853.45  449.862  137.863   1.3197  139.347   1.6631 -1.483917 2.123108 
1 1 1   -1   19   15 o  139.874   1.1586 19030.41  300.068 19105.82  372.530 18891.09  506.349  140.279   1.3681  139.468   1.8703 0.8108521 2.317234 
1 1 1   -1   19   16 o  113.644   1.0028 12587.76  213.873 12726.66  270.716 12357.10  348.855  114.489   1.2181  112.800   1.5932 1.688683 2.005511 
1 1 1   -1   19   17 o  174.517   1.3055 29575.28  440.524 29472.10  596.653 29698.92  653.164  174.189   1.7646  174.845   1.9244 -0.6561737 2.610967 
1 1 1   -1   19   18 o   93.803   0.9343  8571.74  163.952  8644.74  206.455  8447.09  269.772   94.354   1.1272   93.253   1.4903 1.100761 1.868559 
1 1 1   -1   19   19 o  108.063   0.9912 11306.66  199.856 11210.83  249.700 11477.47  333.377  107.440   1.1973  108.686   1.5802 -1.245300 1.982498 
1 1 1   -1   19   20 o   92.746   0.9236  8374.57  160.674  8429.19  202.963  8282.89  262.976   93.163   1.1223   92.330   1.4673 0.8321381 1.847268 
1 1 1   -1   19   21 o   63.208   0.9511  3883.40  116.658  3796.51  165.862  3968.47  164.110   62.507   1.3670   63.909   1.3228 -1.402199 1.902228 
1 1 1   -1   19   22 o   50.020   2.8452  2446.54   99.613  2445.98  101.343  2462.31  541.449   50.183   1.0403   49.857   5.5946 0.3260384 5.690499 
1 1 1   -1   19   23 o   56.366   2.9897  3506.77  120.284  3539.38  122.790  2732.28  598.442   60.362   1.0479   52.369   5.8868 7.992977 5.979385 
1 1 1   -1   19   24 o   74.445   0.9007  5394.73  126.590  5419.70  161.455  5354.88  203.950   74.682   1.1137   74.208   1.4158 0.4744339 1.801352 
1 1 1   -1   19   25 o   40.784   0.9640  1597.60   75.511  1488.31   98.592  1752.68  117.443   39.121   1.2983   42.446   1.4254 -3.324322 1.927989 
1 1 1   -1   19   26 o   73.226   2.9887  5205.73  157.479  5196.68  160.352  5451.55  835.633   73.112   1.1298   73.340   5.8696 -0.2278214 5.977363 
1 1 1   -1   19   27 o   61.595   0.9045  3690.90  104.708  3683.04  132.391  3704.03  171.106   61.531   1.1084   61.660   1.4295 -0.1287651 1.808916 
1 1 1   -1   19   28 o   48.522   0.9544  2280.09   87.386  2231.55  110.685  2360.40  142.382   47.865   1.1913   49.179   1.4915 -1.313290 1.908812 
1 1 1   -1   19   29 o   37.243   1.1362  1379.02   79.444  1450.73  101.854  1267.63  126.945   38.543   1.3613   35.943   1.8195 2.600452 2.272372 
1 1 1   -1   19   30 f   10.316   2.6535   83.294   70.492   35.267   93.124  147.745  107.879   8.6064   3.5167   12.025   3.9745 -3.418231 5.306970 
1 1 1   -1   19   31 o   29.290   1.7848  849.203  101.478  849.203  101.478   0.0000   0.0000   29.290   1.7848  ?   ?       ?      ? 
1 1 1   -1   19   32 o   29.290   1.4502  877.446   80.389  961.358  106.181  764.757  123.048   31.089   1.7595   27.491   2.3058 3.598183 2.900427 
1 1 1   -1   19   33 o   34.342   1.3330  1218.82   85.656  1355.23  111.781  1024.78  133.317   36.922   1.5596   31.762   2.1623 5.160456 2.666071 
1 1 1   -1   20    1 o   59.384   1.3625  3229.71   75.362  3203.79   77.638  3652.50  313.583   57.451   0.6962   61.317   2.6346 -3.865517 2.724978 
1 1 1   -1   20    2 f   50.301   0.5353  2421.35   49.375  2353.68   60.199  2560.47   86.307   49.243   0.6298   51.360   0.8657 -2.116619 1.070524 
1 1 1   -1   20    3 o   55.034   0.5752  2889.11   57.740  2796.66   69.960  3086.63  102.256   53.677   0.6714   56.390   0.9342 -2.712841 1.150413 
1 1 1   -1   20    4 o  251.111   1.5471 61228.37  754.037 61154.84  1058.37 61304.18  1074.55  250.959   2.1725  251.264   2.2031 -0.3046722 3.094123 
1 1 1   -1   20    5 o   90.473   0.9352  7945.86  164.240  7896.45  232.397  7995.17  232.145   90.192   1.3274   90.754   1.3177 -0.5621033 1.870395 
1 1 1   -1   20    6 o  134.218   1.2051 17481.62  313.884 17219.75  437.648 17759.01  450.425  133.184   1.6928  135.253   1.7156 -2.068970 2.410149 
1 1 1   -1   20    7 o  188.734   1.4252 34581.57  522.116 34570.56  734.370 34592.84  742.464  188.704   2.0048  188.764   2.0262 -0.6027222E-01 2.850411 
1 1 1   -1   20    8 o  383.632   1.9572 142920.20  1457.29 143118.80  2043.90 142714.80  2078.38  383.905   2.7427  383.359   2.7929 0.5456848 3.914376 
1 1 1   -1   20    9 o  115.587   1.0754 12961.73  240.390 13058.84  356.225 12880.53  325.742  115.983   1.5822  115.190   1.4568 0.7929382 2.150725 
1 1 1   -1   20   10 o   55.015   0.6994  2932.81   74.586  3027.31  109.088  2849.85  102.208   55.846   1.0063   54.185   0.9717 1.661411 1.398873 
1 1 1   -1   20   11 o  238.645   1.3045 55320.84  602.009 55626.35  817.821 54959.49  889.418  239.368   1.7601  237.922   1.9258 1.445297 2.608911 
1 1 1   -1   20   12 o  150.917   1.1330 22085.55  327.135 21960.59  427.243 22262.61  508.596  150.404   1.4634  151.429   1.7302 -1.024597 2.266060 
1 1 1   -1   20   13 o  119.742   1.0253 13925.72  233.234 13948.52  300.542 13891.19  369.813  119.868   1.2916  119.616   1.5927 0.2526855 2.050593 
1 1 1   -1   20   14 o  189.020   1.2674 34697.89  460.958 34726.27  612.811 34660.91  699.553  189.115   1.6693  188.925   1.9075 0.1895752 2.534792 
1 1 1   -1   20   15 o  158.851   1.1507 24461.05  344.923 24319.27  438.391 24691.43  558.836  158.258   1.4270  159.445   1.8055 -1.186264 2.301390 
1 1 1   -1   20   16 f   80.918   0.8361  6319.03  125.903  6225.14  156.551  6490.96  211.845   80.076   1.0071   81.761   1.3348 -1.684288 1.672107 
1 1 1   -1   20   17 o   40.023   0.7554  1534.80   58.005  1430.88   75.480  1684.69   90.651   38.390   1.0128   41.655   1.1211 -3.264538 1.510855 
1 1 1   -1   20   18 o  147.332   1.2515 21079.71  357.127 20885.50  488.032 21303.58  523.991  146.607   1.7149  148.056   1.8232 -1.448975 2.502950 
1 1 1   -1   20   19 o   70.992   0.8264  4858.28  109.963  4758.60  137.872  5032.54  182.295   70.004   1.0146   71.980   1.3047 -1.975914 1.652736 
1 1 1   -1   20   20 o   54.202   0.7931  2868.73   81.852  2937.02  106.596  2770.60  127.772   54.995   0.9985   53.408   1.2324 1.587875 1.586165 
1 1 1   -1   20   21 o   72.560   0.8530  5142.54  116.380  5230.42  147.975  5000.03  188.436   73.385   1.0388   71.734   1.3532 1.650978 1.705954 
1 1 1   -1   20   22 o   68.403   0.8645  4544.10  111.276  4538.38  140.969  4553.56  181.253   68.354   1.0624   68.452   1.3641 -0.9722137E-01 1.728987 
1 1 1   -1   20   23 o  121.811   1.1828 14512.77  271.185 14767.91  345.398 14102.71  437.874  123.249   1.4437  120.373   1.8739 2.875816 2.365556 
1 1 1   -1   20   24 o   28.434   1.2370  801.618   66.923  890.886   89.662  689.329  100.561   30.264   1.5262   26.603   1.9473 3.660643 2.474095 
1 1 1   -1   20   25 o   44.987   0.9065  1979.05   78.162  2044.84  103.658  1892.34  118.999   45.865   1.1643   44.108   1.3898 1.757603 1.813051 
1 1 1   -1   20   26 o   48.729   0.9085  2309.16   84.317  2306.69  109.137  2312.80  132.799   48.707   1.1543   48.750   1.4033 -0.4366684E-01 1.817044 
1 1 1   -1   20   27 o   44.398   0.9598  1935.32   81.546  2021.55  108.093  1821.42  124.230   45.570   1.2220   43.226   1.4805 2.344372 1.919670 
1 1 1   -1   20   28 o   25.085   1.5005  611.776   72.357  575.889   94.839  661.759  111.925   24.228   2.0165   25.942   2.2226 -1.713934 3.001002 
1 1 1   -1   20   29 o   51.542   0.9472  2576.22   91.522  2525.38  114.826  2664.77  151.549   50.889   1.1624   52.195   1.4958 -1.305336 1.894317 
1 1 1   -1   20   30 o   17.918   2.3168  324.722   78.109  402.106  122.156  271.199  101.591   19.849   3.1704   15.988   3.3791 3.860665 4.633594 
1 1 1   -1   20   31 o   22.106   1.6457  489.776   70.070  484.355   93.280  496.798  106.152   22.010   2.1833   22.202   2.4630 -0.1925316 3.291367 
1 1 1   -1   20   32 o   11.208   2.7440  130.028   71.823  119.301   93.361  145.583  112.419   10.723   3.6973   11.692   4.0557 -0.9685307 5.488044 
1 1 1   -1   20   33 o   9.1222   2.6534   54.668   74.923   66.746   95.823   35.670  120.181   9.1488   3.6264   9.0955   3.8744 0.5336857E-01 5.306719 
1 1 1   -1   21    1 o   74.960   1.4364  5609.91  124.796  5649.00  131.704  5266.41  390.466   76.287   0.8894   73.634   2.7317 2.653152 2.872874 
1 1 1   -1   21    2 o  149.309   1.1302 21552.64  319.759 21236.41  408.470 22053.15  513.879  147.904   1.4227  150.714   1.7565 -2.809753 2.260371 
1 1 1   -1   21    3 o  119.883   1.0908 14023.42  240.720 14180.29  297.447 13725.67  409.796  120.863   1.2678  118.902   1.7755 1.961151 2.181646 
1 1 1   -1   21    4 o   51.900   0.6388  2613.51   64.344  2570.78   89.787  2658.62   92.257   51.464   0.8988   52.336   0.9081 -0.8718452 1.277671 
1 1 1   -1   21    5 o  234.590   1.5166 53404.96  690.384 52440.17  961.437 54432.01  991.982  232.404   2.1311  236.776   2.1582 -4.371628 3.033109 
1 1 1   -1   21    6 o  164.556   1.2984 26288.32  414.717 26325.19  583.235 26250.62  589.816  164.673   1.8246  164.439   1.8478 0.2338257 2.596772 
1 1 1   -1   21    7 o  418.397   1.9993 169982.09  1623.42 169447.70  2270.07 170541.50  2322.55  417.726   2.7995  419.068   2.8551 -1.341919 3.998584 
1 1 1   -1   21    8 o   29.749   0.5976  857.412   34.475  821.400   47.508  897.473   50.107   29.090   0.8413   30.408   0.8489 -1.317245 1.195151 
1 1 1   -1   21    9 o  188.841   1.3548 34609.79  492.294 34713.39  747.715 34530.51  654.064  189.087   2.0371  188.595   1.7866 0.4917297 2.709547 
1 1 1   -1   21   10 o  146.029   1.2307 20730.58  347.184 20401.60  514.764 21005.12  470.236  144.963   1.8293  147.095   1.6468 -2.132217 2.461396 
1 1 1   -1   21   11 o  163.352   1.1638 25920.32  364.727 26003.23  480.917 25808.07  559.578  163.662   1.5138  163.041   1.7681 0.6217499 2.327559 
1 1 1   -1   21   12 o  205.965   1.2653 41162.93  502.822 40974.12  674.324 41399.40  754.627  205.437   1.6909  206.494   1.8826 -1.056717 2.530505 
1 1 1   -1   21   13 o  178.317   1.2450 30856.37  426.123 30755.71  561.627 30992.93  654.161  177.980   1.6256  178.654   1.8863 -0.6744232 2.490101 
1 1 1   -1   21   14 o   25.852   0.8568  649.055   42.831  651.333   58.125  646.348   63.358   25.902   1.1560   25.802   1.2650 0.9986305E-01 1.713615 
1 1 1   -1   21   15 o  159.324   1.1852 24668.96  361.444 24748.54  473.659 24558.02  559.256  159.640   1.5285  159.007   1.8119 0.6328278 2.370472 
1 1 1   -1   21   16 o   29.962   0.8311  875.532   48.115  930.244   66.365  814.907   69.860   30.954   1.1045   28.971   1.2422 1.983522 1.662235 
1 1 1   -1   21   17 o  193.778   1.2829 36491.68  471.282 36525.25  604.837 36439.80  751.897  193.913   1.6068  193.644   2.0003 0.2691803 2.565730 
1 1 1   -1   21   18 o  139.530   1.1462 18999.87  300.822 19260.99  382.325 18575.48  487.414  140.814   1.3987  138.247   1.8163 2.566986 2.292408 
1 1 1   -1   21   19 o  116.114   1.2271 13111.78  276.431 13461.84  388.424 12752.54  393.491  117.689   1.7002  114.540   1.7698 3.149078 2.454140 
1 1 1   -1   21   20 f  174.903   1.3055 29749.61  435.793 29761.98  566.813 29731.73  681.532  174.977   1.6688  174.829   2.0082 0.1486969 2.611060 
1 1 1   -1   21   21 o   86.581   0.9760  7321.09  157.792  7421.61  198.485  7148.44  260.113   87.407   1.1698   85.755   1.5626 1.652344 1.951943 
1 1 1   -1   21   22 o   89.626   0.9871  7807.97  165.244  7809.62  207.196  7805.09  273.906   89.656   1.1905   89.597   1.5749 0.5951691E-01 1.974218 
1 1 1   -1   21   23 o   83.802   2.3064  6918.96  186.400  6925.48  192.976  6828.13  720.160   84.422   1.1776   83.182   4.4600 1.239853 4.612842 
1 1 1   -1   21   24 o   29.622   1.1232  845.489   64.115  789.577   84.721  920.431   98.084   28.490   1.5319   30.755   1.6429 -2.265120 2.246319 
1 1 1   -1   21   25 o   67.385   0.8869  4365.88  112.698  4216.74  142.176  4617.99  184.856   65.867   1.1120   68.903   1.3821 -3.036423 1.773857 
1 1 1   -1   21   26 o   65.974   0.8965  4268.95  112.172  4407.97  145.319  4064.00  176.441   67.332   1.1118   64.617   1.4067 2.714584 1.792999 
1 1 1   -1   21   27 o   58.809   0.9079  3333.19  100.853  3222.08  127.624  3517.94  164.574   57.538   1.1426   60.079   1.4112 -2.540562 1.815764 
1 1 1   -1   21   28 o   19.360   1.8196  365.848   67.851  334.023   89.401  409.082  104.200   18.389   2.5045   20.331   2.6403 -1.941801 3.639161 
1 1 1   -1   21   29 o   29.376   1.2786  843.997   71.332  829.997   91.499  865.691  113.898   29.102   1.6197   29.651   1.9788 -0.5490017 2.557184 
1 1 1   -1   21   30 o   26.396   1.3612  686.139   69.271  659.381   92.018  721.136  105.236   25.829   1.8353   26.963   2.0106 -1.133896 2.722308 
1 1 1   -1   21   31 o   20.174   1.7890  406.870   69.607  369.694   92.266  455.979  106.046   19.131   2.4844   21.216   2.5749 -2.084888 3.578070 
1 1 1   -1   21   32 o   7.0268   2.2477 -114.5869   72.616 -251.4519   98.558   47.940  107.401   4.9385   2.4693   9.1151   3.7566 -4.176649 4.495462 
1 1 1   -1   21   33 o   22.149   2.0797  558.288   79.743  673.823  103.435  389.003  125.204   25.757   2.0687   18.541   3.6086 7.216286 4.159488 
1 1 1   -1   22    1 o  185.230   1.4705 32857.61  480.693 32240.54  568.622 34402.99  899.855  182.237   1.6074  188.223   2.4628 -5.985428 2.940961 
1 1 1   -1   22    2 o  160.356   1.2189 24898.67  372.273 24633.32  480.738 25296.13  588.367  159.295   1.5547  161.417   1.8777 -2.121780 2.437809 
1 1 1   -1   22    3 f  133.175   1.0624 17233.02  267.098 17286.44  340.485 17147.54  430.682  133.447   1.3144  132.904   1.6694 0.5424652 2.124722 
1 1 1   -1   22    4 o   91.387   0.9405  8105.96  166.819  8275.63  237.183  7939.85  234.673   92.333   1.3233   90.440   1.3367 1.892693 1.880938 
1 1 1   -1   22    5 o   36.068   0.5399  1262.68   37.800  1265.59   53.480  1259.77   53.434   36.110   0.7630   36.026   0.7641 0.8319092E-01 1.079770 
1 1 1   -1   22    6 o   57.263   0.6948  3182.81   77.228  3186.54  109.038  3179.04  109.398   57.297   0.9804   57.229   0.9847 0.6747437E-01 1.389539 
1 1 1   -1   22    7 o  237.275   1.5586 54664.11  717.757 54774.97  1006.19 54549.25  1024.18  237.521   2.1823  237.029   2.2259 0.4914703 3.117216 
1 1 1   -1   22    8 o   63.968   0.7643  3971.67   94.908  3937.67  133.620  4006.28  134.827   63.692   1.0807   64.244   1.0811 -0.5524826 1.528679 
1 1 1   -1   22    9 o  390.950   1.6919 148380.80  1275.76 148707.80  1916.75 148120.80  1709.39  391.327   2.5233  390.574   2.2546 0.7533569 3.383797 
1 1 1   -1   22   10 o  134.096   1.1897 17454.05  308.793 17497.74  454.442 17416.58  420.885  134.251   1.7438  133.941   1.6188 0.3093109 2.379333 
1 1 1   -1   22   11 o  105.325   0.9271 10793.62  185.164 10886.62  238.199 10651.62  294.347  105.901   1.1587  104.748   1.4476 1.152946 1.854219 
1 1 1   -1   22   12 f  222.482   1.3186 48036.66  566.355 47829.11  761.417 48293.71  847.350  221.949   1.7673  223.015   1.9573 -1.066559 2.637117 
1 1 1   -1   22   13 o  155.909   1.1742 23641.53  350.812 23856.87  461.760 23347.58  539.509  156.755   1.5175  155.063   1.7924 1.691910 2.348489 
1 1 1   -1   22   14 o  140.831   1.1116 19265.77  298.905 19296.63  389.251 19221.42  466.622  140.975   1.4224  140.688   1.7086 0.2867737 2.223194 
1 1 1   -1   22   15 o  159.770   1.1940 24844.16  365.404 25118.21  480.711 24469.12  562.361  160.825   1.5398  158.715   1.8253 2.109741 2.388024 
1 1 1   -1   22   16 o   98.269   0.9335  9420.05  174.031  9587.60  224.628  9168.48  275.249   99.372   1.1645   97.167   1.4593 2.205589 1.866971 
1 1 1   -1   22   17 o   56.597   0.7403  3112.94   79.433  3123.16  102.013  3097.19  126.596   56.717   0.9266   56.476   1.1548 0.2410431 1.480538 
1 1 1   -1   22   18 o  113.653   1.0641 12495.55  228.283 12323.59  289.750 12777.00  370.677  112.639   1.3252  114.667   1.6653 -2.028526 2.128207 
1 1 1   -1   22   19 o  100.405   0.9634  9811.42  181.245  9862.63  228.555  9724.66  297.505  100.771   1.1684  100.039   1.5320 0.7314301 1.926705 
1 1 1   -1   22   20 o  108.998   1.2869 11553.71  272.279 11588.25  385.831 11519.44  384.294  109.160   1.8208  108.836   1.8190 0.3243179 2.573729 
1 1 1   -1   22   21 o   76.036   0.8740  5614.94  124.800  5609.07  157.641  5624.80  204.273   75.992   1.0686   76.080   1.3832 -0.8779144E-01 1.747901 
1 1 1   -1   22   22 f   86.137   0.9411  7216.37  152.071  7233.06  191.938  7188.22  249.240   86.285   1.1459   85.988   1.4932 0.2966309 1.882224 
1 1 1   -1   22   23 o  171.959   1.4492 28928.93  473.032 29398.47  610.985 28226.36  747.373  173.780   1.8112  170.139   2.2629 3.641037 2.898488 
1 1 1   -1   22   24 o   50.127   0.8659  2434.66   82.594  2402.79  106.404  2482.97  131.010   49.723   1.1024   50.531   1.3356 -0.8075829 1.731797 
1 1 1   -1   22   25 o   54.148   0.8820  2865.04   90.859  2924.84  118.034  2778.07  142.340   54.855   1.1085   53.440   1.3721 1.414738 1.763929 
1 1 1   -1   22   26 o   37.232   1.0281  1341.92   73.808  1285.50   98.018  1415.81  112.167   36.339   1.3895   38.125   1.5156 -1.786591 2.056188 
1 1 1   -1   22   27 o   41.784   0.9785  1720.45   77.991  1819.54  103.060  1587.64  119.306   43.226   1.2282   40.342   1.5235 2.884274 1.956937 
1 1 1   -1   22   28 o   35.733   1.0877  1219.16   74.304  1091.32   95.479  1415.49  118.322   33.424   1.4716   38.043   1.6022 -4.619133 2.175493 
1 1 1   -1   22   29 o   52.935   0.9277  2753.23   93.740  2825.21  122.868  2652.97  145.000   53.803   1.1764   52.067   1.4346 1.735825 1.855305 
1 1 1   -1   22   30 o   54.782   0.9276  2946.05   97.150  2966.19  127.120  2917.76  150.636   55.056   1.1894   54.508   1.4236 0.5473633 1.855137 
1 1 1   -1   22   31 f   24.647   1.5224  606.333   72.306  589.886   96.081  627.810  109.797   24.304   2.0366   24.990   2.2633 -0.6866512 3.044728 
1 1 1   -1   22   32 o   8.7960   2.5553   37.038   72.949   85.421   98.178 -22.5969  108.999   9.7774   3.7270   7.8146   3.4968 1.962769 5.110595 
1 1 1   -1   22   33 o   21.435   2.2256  498.871   91.533  473.129  137.458  519.379  122.691   20.743   3.4137   22.126   2.8566 -1.382721 4.451226 
1 1 1   -1   23    1 f  221.547   1.5766 47696.45  642.363 47782.56  791.066 47529.76  1100.64  221.853   1.8369  221.240   2.5628 0.6126709 3.153114 
1 1 1   -1   23    2 o   41.132   0.4996  1630.10   37.732  1605.67   46.201  1679.04   65.383   40.673   0.5852   41.591   0.8098 -0.9184113 0.9991324 
1 1 1   -1   23    3 o  187.851   1.3004 34235.77  466.300 34137.63  606.203 34377.99  729.744  187.525   1.6653  188.177   1.9977 -0.6515656 2.600806 
1 1 1   -1   23    4 o  187.955   1.3956 34291.07  509.084 34030.78  712.082 34563.18  728.093  187.226   1.9593  188.684   1.9879 -1.458191 2.791132 
1 1 1   -1   23    5 o  136.340   1.1969 18045.16  316.743 18051.25  445.744 18038.95  450.172  136.363   1.6839  136.316   1.7012 0.4672241E-01 2.393707 
1 1 1   -1   23    6 o  239.581   1.5669 55699.41  728.417 54749.19  1012.58 56718.52  1048.64  237.465   2.1967  241.697   2.2351 -4.231659 3.133831 
1 1 1   -1   23    7 o  159.030   1.3144 24548.08  405.711 24275.44  567.850 24832.37  579.863  158.128   1.8499  159.932   1.8678 -1.803207 2.628860 
1 1 1   -1   23    8 o  202.210   1.4927 39702.25  585.737 39784.71  818.294 39615.61  838.802  202.426   2.0825  201.993   2.1392 0.4325409 2.985457 
1 1 1   -1   23    9 o   86.916   0.9488  7333.23  160.057  7475.19  226.896  7192.62  225.816   87.753   1.3320   86.078   1.3514 1.674698 1.897516 
1 1 1   -1   23   10 o  109.566   1.1139 11653.62  236.702 11675.44  342.068 11633.57  327.878  109.664   1.6069  109.469   1.5430 0.1957626 2.227736 
1 1 1   -1   23   11 o  307.066   1.6044 91570.55  945.612 91495.90  1449.55 91625.84  1247.64  306.946   2.4328  307.186   2.0923 -0.2402344 3.208775 
1 1 1   -1   23   12 o   62.267   0.7248  3785.80   85.659  3874.30  110.843  3654.56  134.971   63.177   0.9038   61.357   1.1332 1.819603 1.449505 
1 1 1   -1   23   13 o   60.044   1.6635  3825.30  106.768  3895.62  112.033  3129.47  352.418   63.349   0.9110   56.738   3.1998 6.611279 3.326926 
1 1 1   -1   23   14 o  113.586   0.9989 12576.69  215.504 12771.96  278.601 12285.81  340.035  114.693   1.2514  112.479   1.5574 2.214516 1.997813 
1 1 1   -1   23   15 o  202.341   1.3263 39801.98  516.646 40016.79  688.907 39525.88  781.028  202.976   1.7484  201.706   1.9947 1.270981 2.652539 
1 1 1   -1   23   16 o  231.357   1.3957 51983.73  623.400 51780.57  838.092 52235.35  932.721  230.864   1.8701  231.850   2.0724 -0.9861298 2.791469 
1 1 1   -1   23   17 o  212.801   1.3743 44045.09  563.825 44263.99  755.572 43770.04  846.971  213.416   1.8238  212.185   2.0563 1.231216 2.748590 
1 1 1   -1   23   18 o   46.795   0.7404  2133.07   66.315  2167.71   87.185  2085.52  102.150   47.249   0.9506   46.341   1.1356 0.9083519 1.480896 
1 1 1   -1   23   19 o  120.383   1.0993 14034.98  247.520 13906.81  310.247 14259.41  410.546  119.648   1.3358  121.118   1.7462 -1.469597 2.198518 
1 1 1   -1   23   20 o  130.706   1.1887 16636.29  292.970 16721.36  372.940 16499.16  473.470  131.170   1.4647  130.242   1.8727 0.9282684 2.377476 
1 1 1   -1   23   21 o   64.875   0.9371  4083.00  117.867  4219.04  171.932  3962.37  161.899   65.892   1.3442   63.858   1.3061 2.033562 1.874204 
1 1 1   -1   23   22 o   22.418   1.3138  490.958   56.638  504.014   75.699  474.355   85.366   22.762   1.7132   22.074   1.9922 0.6885300 2.627544 
1 1 1   -1   23   23 o   32.535   1.0632  1027.85   67.003  1004.97   91.348  1054.50   98.578   32.146   1.4639   32.925   1.5424 -0.7790565 2.126493 
1 1 1   -1   23   24 o   42.360   0.9107  1739.63   74.213  1707.09   98.146  1783.07  113.404   41.904   1.2066   42.816   1.3644 -0.9125633 1.821401 
1 1 1   -1   23   25 f   73.805   0.9164  5293.37  127.515  5278.43  161.958  5317.72  206.826   73.686   1.1323   73.923   1.4413 -0.2370224 1.832874 
1 1 1   -1   23   26 o   32.643   1.1135  1046.28   69.433  1085.85   91.450  992.436  106.688   33.391   1.4109   31.896   1.7231 1.495169 2.227057 
1 1 1   -1   23   27 o   68.194   0.9461  4551.60  121.121  4609.38  153.469  4456.18  197.233   68.807   1.1490   67.580   1.5035 1.226982 1.892246 
1 1 1   -1   23   28 o   42.908   1.0012  1799.38   82.235  1805.51  107.823  1790.85  127.148   43.018   1.2912   42.798   1.5305 0.2201424 2.002393 
1 1 1   -1   23   29 o   37.867   1.0209  1403.21   74.397  1394.57   98.803  1414.53  113.057   37.755   1.3481   37.979   1.5335 -0.2248154 2.041842 
1 1 1   -1   23   30 o   21.839   1.6090  484.064   67.080  526.467   89.914  430.839  100.737   23.005   2.0134   20.673   2.5103 2.332689 3.217994 
1 1 1   -1   23   31 o   12.782   2.5221  182.019   69.335  250.377   93.425   98.204  103.449   15.230   3.2586   10.334   3.8503 4.895456 5.044155 
1 1 1   -1   23   32 o   20.136   1.9333  415.742   75.115  369.498  100.089  475.373  113.657   18.870   2.7324   21.402   2.7358 -2.531723 3.866618 
1 1 1   -1   23   33 o   11.312   2.9311  140.827   87.640   75.411  136.111  187.157  114.545   10.074   4.1968   12.550   4.0929 -2.476525 5.862175 
1 1 1   -1   24    1 f  234.731   1.6012 53363.48  692.659 53077.92  853.382 53914.85  1185.81  233.825   1.8801  235.637   2.5924 -1.812469 3.202424 
1 1 1   -1   24    2 o   88.270   0.8128  7571.38  134.380  7594.79  169.253  7531.45  221.029   88.456   0.9857   88.084   1.2927 0.3715744 1.625602 
1 1 1   -1   24    3 o  137.850   1.1111 18449.40  289.173 18458.92  368.404 18434.11  466.724  137.898   1.3763  137.801   1.7448 0.9768677E-01 2.222248 
1 1 1   -1   24    4 f  121.466   1.1660 14321.94  274.932 14171.99  387.395 14474.11  390.245  120.826   1.6517  122.107   1.6464 -1.281143 2.332100 
1 1 1   -1   24    5 o   77.911   0.8630  5889.38  130.447  5809.10  181.105  5975.94  188.052   77.360   1.2060   78.463   1.2347 -1.102821 1.725936 
1 1 1   -1   24    6 o  173.749   1.3671 29309.69  461.009 29348.71  646.577 29269.34  657.490  173.867   1.9157  173.631   1.9507 0.2361603 2.734123 
1 1 1   -1   24    7 o   60.691   2.1399  3577.10  252.029  3454.98  354.057  3702.53  358.838   59.641   3.0582   61.742   2.9940 -2.100662 4.279782 
1 1 1   -1   24    8 f  167.974   1.3902 27392.93  453.281 27301.67  637.758 27486.08  644.365  167.691   1.9592  168.256   1.9729 -0.5650177 2.780406 
1 1 1   -1   24    9 o  226.885   1.5836 49993.93  697.347 50860.40  983.695 49118.60  988.718  228.863   2.2142  224.908   2.2647 3.955368 3.167246 
1 1 1   -1   24   10 o   91.292   0.9608  8096.75  170.085  7930.22  244.728  8252.33  236.553   90.383   1.3949   92.201   1.3217 -1.818130 1.921590 
1 1 1   -1   24   11 o   63.623   0.8178  3924.31  100.858  4020.29  147.327  3839.64  138.364   64.354   1.1793   62.892   1.1333 1.462116 1.635638 
1 1 1   -1   24   12 o  256.978   1.3778 64065.80  684.337 63467.16  923.719 64794.11  1018.86  255.655   1.8613  258.302   2.0320 -2.647003 2.755625 
1 1 1   -1   24   13 o   86.877   0.8558  7312.86  140.214  7266.10  177.998  7389.33  227.613   86.515   1.0599   87.240   1.3441 -0.7252045 1.711682 
1 1 1   -1   24   14 o  139.969   1.1295 18973.69  301.724 18743.72  391.225 19311.24  473.995  138.932   1.4506  141.005   1.7317 -2.072739 2.259017 
1 1 1   -1   24   15 f  179.185   1.2572 31152.98  431.937 30974.14  567.382 31399.49  666.137  178.584   1.6367  179.786   1.9087 -1.201355 2.514355 
1 1 1   -1   24   16 o   41.296   0.8278  1642.55   65.655  1743.95  101.702  1570.10   85.970   42.378   1.2363   40.213   1.1013 2.165756 1.655699 
1 1 1   -1   24   17 f   64.065   0.7698  3993.36   93.723  4024.33  121.053  3947.00  148.083   64.379   0.9686   63.751   1.1966 0.6281013 1.539528 
1 1 1   -1   24   18 o   70.079   0.7998  4794.65  105.896  4882.60  135.704  4657.71  169.340   70.910   0.9859   69.248   1.2598 1.662369 1.599669 
1 1 1   -1   24   19 o   59.923   0.7900  3516.29   89.833  3633.92  116.523  3343.95  141.047   61.173   0.9813   58.673   1.2384 2.500275 1.580041 
1 1 1   -1   24   20 o   22.562   1.3804  506.150   59.128  410.014   87.077  588.400   80.543   20.523   2.1857   24.600   1.6866 -4.077057 2.760817 
1 1 1   -1   24   21 o  101.686   1.0673  9998.77  200.137  9884.74  246.404 10219.86  343.088  100.862   1.2585  102.509   1.7242 -1.646713 2.134611 
1 1 1   -1   24   22 o   73.434   0.8827  5259.90  123.139  5337.59  159.227  5144.30  194.234   74.121   1.1066   72.748   1.3754 1.373756 1.765358 
1 1 1   -1   24   23 o   68.023   0.8782  4469.46  113.231  4371.81  144.514  4624.74  182.234   67.076   1.1099   68.969   1.3612 -1.893402 1.756302 
1 1 1   -1   24   24 o   44.892   0.8769  1956.53   75.636  1939.76   99.870  1979.08  115.827   44.672   1.1517   45.112   1.3227 -0.4399185 1.753812 
1 1 1   -1   24   25 o   44.218   0.9285  1922.86   78.763  2090.81  106.741  1722.12  116.698   46.370   1.1858   42.066   1.4291 4.304008 1.857024 
1 1 1   -1   24   26 o   9.2950   2.4629   57.648   63.952  106.685   84.021  -9.8866   98.603   10.598   3.5078   7.9923   3.4581 2.605253 4.925819 
1 1 1   -1   24   27 o   30.614   1.2252  915.781   72.258  910.689   96.324  922.333  109.273   30.531   1.6253   30.698   1.8337 -0.1670799 2.450344 
1 1 1   -1   24   28 o   23.845   1.5122  559.136   68.715  554.620   88.935  565.824  108.239   23.759   1.9283   23.932   2.3300 -0.1722107 3.024401 
1 1 1   -1   24   29 o   22.336   1.5518  488.535   66.771  439.938   88.075  554.216  102.392   21.057   2.1547   23.615   2.2336 -2.557972 3.103538 
1 1 1   -1   24   30 o   37.719   1.0552  1395.20   76.721  1360.43  102.082  1440.33  116.303   37.208   1.4134   38.231   1.5672 -1.023018 2.110348 
1 1 1   -1   24   31 o   6.9834   2.2620 -65.7401   71.211  -7.4549   99.580 -126.7401  101.873   7.7931   3.4216   6.1736   2.9597 1.619489 4.524077 
1 1 1   -1   24   32 o   8.7325   2.5318   19.195   76.356  109.981  103.090 -91.1408  113.649   10.479   3.8550   6.9858   3.2830 3.493400 5.063529 
1 1 1   -1   24   33 o   35.802   1.4390  1293.85   99.263  1414.46  151.981  1204.13  131.083   37.181   2.1057   34.423   1.9617 2.758686 2.877910 
1 1 1   -1   25    1 o  158.895   1.4572 23754.51  386.037 23071.08  440.976 25996.16  798.638  154.165   1.4735  163.624   2.5144 -9.459442 2.914379 
1 1 1   -1   25    2 o   83.029   0.8125  6679.88  125.442  6650.78  156.191  6732.76  210.542   82.776   0.9720   83.283   1.3023 -0.5065231 1.625090 
1 1 1   -1   25    3 o  156.536   1.2254 23791.42  364.083 23804.95  468.219 23770.74  579.040  156.596   1.5403  156.477   1.9063 0.1192322 2.450817 
1 1 1   -1   25    4 o  243.225   1.5577 57432.52  735.355 57065.01  1030.60 57813.68  1049.56  242.433   2.1899  244.018   2.2157 -1.584137 3.115343 
1 1 1   -1   25    5 o  115.697   1.1313 12992.87  253.976 12939.57  353.729 13049.58  364.883  115.452   1.5784  115.941   1.6213 -0.4891357 2.262669 
1 1 1   -1   25    6 o  127.821   1.1865 15855.08  294.318 15611.50  410.461 16112.84  422.246  126.811   1.6674  128.831   1.6884 -2.019722 2.372995 
1 1 1   -1   25    7 o  326.989   1.7403 103835.40  1104.56 104567.50  1554.75 103089.20  1569.52  328.154   2.4407  325.824   2.4815 2.330322 3.480672 
1 1 1   -1   25    8 o   86.716   0.9367  7297.89  157.659  7464.74  224.794  7136.36  221.176   87.691   1.3206   85.741   1.3289 1.950600 1.873453 
1 1 1   -1   25    9 o   59.952   0.7803  3486.97   90.787  3395.40  126.624  3583.84  130.238   59.143   1.1029   60.762   1.1042 -1.618999 1.560665 
1 1 1   -1   25   10 o  244.980   1.5226 58229.76  716.830 58610.24  1095.57 57944.93  947.893  245.672   2.2973  244.289   1.9989 1.382828 3.045190 
1 1 1   -1   25   11 o  120.707   1.1635 14146.35  271.694 14151.15  401.094 14142.27  369.336  120.725   1.7115  120.690   1.5765 0.3440094E-01 2.326927 
1 1 1   -1   25   12 o  225.788   1.4560 49555.07  617.620 49679.96  781.265 49346.98  1008.50  226.187   1.7794  225.390   2.3050 0.7965851 2.911933 
1 1 1   -1   25   13 o  105.057   0.9646 10742.14  192.139 10837.17  247.115 10596.87  305.540  105.651   1.2049  104.464   1.5067 1.186996 1.929273 
1 1 1   -1   25   14 o  207.565   1.3308 41830.47  532.585 41671.25  712.310 42032.33  802.023  207.127   1.7716  208.003   1.9863 -0.8753662 2.661599 
1 1 1   -1   25   15 o   34.171   0.7859  1125.95   51.954  1030.21   70.170  1242.10   77.293   32.574   1.1097   35.768   1.1132 -3.193306 1.571861 
1 1 1   -1   25   16 o  146.699   1.1732 20984.21  328.837 21354.18  430.728 20467.29  509.134  148.268   1.4965  145.130   1.8072 3.138489 2.346418 
1 1 1   -1   25   17 o   63.958   0.7693  4008.06   93.158  4145.25  120.364  3803.10  147.118   65.339   0.9490   62.577   1.2111 2.762157 1.538620 
1 1 1   -1   25   18 o   76.832   0.8467  5687.86  122.226  5557.29  153.690  5912.55  201.613   75.648   1.0466   78.016   1.3313 -2.367554 1.693431 
1 1 1   -1   25   19 o  184.058   1.7087 33018.65  605.527 33194.31  807.722 32793.26  914.956  184.658   2.2533  183.458   2.5692 1.200592 3.417370 
1 1 1   -1   25   20 o   96.243   1.0114  8964.80  182.763  8857.70  230.174  9147.51  300.649   95.484   1.2418   97.003   1.5967 -1.518616 2.022730 
1 1 1   -1   25   21 o   30.423   0.9978  890.823   58.447  835.455   76.997  966.103   89.782   29.320   1.3528   31.525   1.4671 -2.205624 1.995648 
1 1 1   -1   25   22 o   31.022   1.0701  926.951   64.107  847.116   85.559  1029.14   96.800   29.515   1.4934   32.530   1.5329 -3.015142 2.140100 
1 1 1   -1   25   23 o   47.120   0.8818  2163.89   80.192  2215.83  108.486  2101.32  119.067   47.749   1.1704   46.490   1.3194 1.258522 1.763696 
1 1 1   -1   25   24 o   36.078   0.9956  1269.48   69.378  1302.92   94.269  1229.97  102.475   36.602   1.3268   35.554   1.4848 1.048210 1.991194 
1 1 1   -1   25   25 o   59.142   0.8834  3429.21   98.928  3532.02  127.704  3274.92  156.438   60.274   1.0915   58.009   1.3892 2.265083 1.766720 
1 1 1   -1   25   26 o   47.169   0.9202  2185.69   82.923  2286.31  109.549  2050.68  126.895   48.467   1.1644   45.870   1.4251 2.597118 1.840312 
1 1 1   -1   25   27 o   46.845   0.9629  2145.38   84.967  2160.78  108.068  2120.45  137.501   47.094   1.1821   46.596   1.5202 0.4988823 1.925715 
1 1 1   -1   25   28 o   45.342   0.9584  2001.44   83.117  1969.14  108.258  2047.82  129.723   44.921   1.2415   45.762   1.4603 -0.8415642 1.916712 
1 1 1   -1   25   29 o   35.148   1.1079  1215.01   75.286  1224.79  102.262  1203.43  111.245   35.323   1.4914   34.973   1.6386 0.3501968 2.215728 
1 1 1   -1   25   30 o   21.702   1.6290  471.015   68.524  446.617   93.886  498.827  100.240   21.106   2.2916   22.298   2.3159 -1.191967 3.258021 
1 1 1   -1   25   31 o   28.873   1.3860  850.830   76.028  987.201  103.910  693.708  111.535   31.522   1.6981   26.224   2.1910 5.298281 2.772047 
1 1 1   -1   25   32 f   29.500   1.4223  878.887   80.945  876.658  108.668  881.665  121.322   29.522   1.8962   29.477   2.1203 0.4485893E-01 2.844500 
1 1 1   -1   26    1 o  281.292   1.6979 76300.20  889.774 74985.58  1107.28 78696.30  1494.89  277.911   2.0525  284.673   2.7052 -6.761810 3.395706 
1 1 1   -1   26    2 o  103.311   0.9936 10432.21  188.272 10583.05  231.951 10140.91  322.333  104.416   1.1444  102.207   1.6247 2.209396 1.987225 
1 1 1   -1   26    3 o  107.412   0.9894 11196.57  199.009 11187.68  250.356 11211.83  328.001  107.357   1.2013  107.468   1.5723 -0.1116714 1.978704 
1 1 1   -1   26    4 o  113.571   0.9820 12486.18  209.223 12387.46  263.409 12654.91  344.379  112.966   1.2012  114.175   1.5538 -1.208725 1.963983 
1 1 1   -1   26    5 o  227.733   1.5467 50362.30  683.548 50638.30  956.834 50074.64  976.843  228.372   2.1584  227.095   2.2159 1.276810 3.093362 
1 1 1   -1   26    6 o  112.619   1.1080 12299.09  242.083 12791.28  348.990 11842.62  336.090  114.788   1.5662  110.450   1.5676 4.338608 2.215917 
1 1 1   -1   26    7 o  212.245   1.5251 43739.93  628.263 43723.82  880.898 43756.59  896.299  212.206   2.1385  212.284   2.1751 -0.7807922E-01 3.050238 
1 1 1   -1   26    8 f  292.664   1.7016 83147.49  966.253 82213.40  1342.47 84151.59  1391.85  290.962   2.3769  294.367   2.4358 -3.405701 3.403295 
1 1 1   -1   26    9 o  224.517   1.6100 48943.30  701.644 48510.39  984.751 49389.71  999.973  223.509   2.2697  225.525   2.2842 -2.015930 3.220081 
1 1 1   -1   26   10 o  118.651   1.2526 13693.96  287.794 13255.36  417.992 14089.28  396.837  116.839   1.8430  120.462   1.6971 -3.623032 2.505292 
1 1 1   -1   26   11 o  122.231   1.1682 14497.74  276.390 14621.45  407.300 14392.16  376.287  122.713   1.7099  121.750   1.5922 0.9626465 2.336362 
1 1 1   -1   26   12 o   73.197   0.7804  5166.65  106.486  5079.61  132.622  5324.60  178.646   72.337   0.9445   74.057   1.2427 -1.719437 1.560871 
1 1 1   -1   26   13 o  158.803   1.1994 24475.57  364.552 24387.71  476.873 24599.12  565.489  158.469   1.5502  159.137   1.8306 -0.6676788 2.398787 
1 1 1   -1   26   14 o   58.312   0.7239  3314.10   80.556  3374.53  105.229  3228.55  125.205   58.958   0.9194   57.666   1.1185 1.292099 1.447896 
1 1 1   -1   26   15 o   33.009   0.7671  1059.63   48.697  1071.11   64.810  1044.75   73.798   33.215   1.0052   32.802   1.1590 0.4129219 1.534161 
1 1 1   -1   26   16 o   39.079   0.7639  1489.57   57.578  1553.08   78.199  1414.38   85.091   39.994   1.0073   38.164   1.1486 1.829975 1.527700 
1 1 1   -1   26   17 o   96.554   0.9470  9047.45  172.291  9021.45  218.643  9090.04  279.843   96.380   1.1686   96.727   1.4904 -0.3470764 1.893941 
1 1 1   -1   26   18 o   50.867   0.7535  2486.90   73.097  2381.79   94.058  2647.19  116.153   49.526   0.9784   52.208   1.1461 -2.681850 1.506918 
1 1 1   -1   26   19 o  105.833   1.0658 10884.27  213.148 10877.77  271.884 10894.63  343.344  105.809   1.3237  105.857   1.6709 -0.4856110E-01 2.131680 
1 1 1   -1   26   20 o   59.179   0.7994  3389.81   89.683  3346.38  114.711  3458.10  143.835   58.698   1.0067   59.660   1.2420 -0.9614563 1.598767 
1 1 1   -1   26   21 o   68.180   0.8399  4508.65  108.083  4482.90  137.435  4550.39  174.980   67.934   1.0422   68.427   1.3173 -0.4928741 1.679751 
1 1 1   -1   26   22 o  116.636   1.2640 13316.38  270.352 13470.99  332.821 13016.47  463.539  117.694   1.4568  115.577   2.0661 2.117203 2.528024 
1 1 1   -1   26   23 o   30.141   1.1074  875.765   64.484  785.226   86.531  988.845   96.704   28.405   1.5693   31.876   1.5628 -3.471216 2.214748 
1 1 1   -1   26   24 o   51.375   0.8862  2579.37   87.516  2668.55  117.106  2466.56  131.710   52.393   1.1514   50.357   1.3474 2.036594 1.772362 
1 1 1   -1   26   25 o   32.353   1.0890  1010.55   67.993  939.376   90.401  1103.26  103.174   31.056   1.4995   33.650   1.5795 -2.593781 2.177937 
1 1 1   -1   26   26 o   39.367   1.0109  1513.79   76.448  1532.19  101.438  1489.59  116.310   39.657   1.3177   39.076   1.5333 0.5811043 2.021734 
1 1 1   -1   26   27 o   54.987   0.9221  2946.96   95.686  2939.44  121.757  2959.10  154.737   54.927   1.1419   55.047   1.4481 -0.1199684 1.844161 
1 1 1   -1   26   28 o   8.0527   2.4023   9.1696   65.141   36.311   90.399 -20.1446   93.949   8.5930   3.4823   7.5124   3.3102 1.080667 4.804524 
1 1 1   -1   26   29 o   20.831   1.6763  433.350   67.710  415.633   93.162  453.187   98.579   20.385   2.3543   21.277   2.3867 -0.8922863 3.352506 
1 1 1   -1   26   30 o   18.603   1.9640  354.909   68.710  295.843   93.882  423.042  100.831   16.759   2.9958   20.447   2.5404 -3.688316 3.927901 
1 1 1   -1   26   31 o   30.924   1.2927  953.357   77.311  938.903  104.612  970.751  114.760   30.700   1.7554   31.149   1.8980 -0.4487228 2.585302 
1 1 1   -1   26   32 o   16.389   2.5530  305.009   79.004  294.591  109.871  316.161  113.683   16.095   3.6061   16.683   3.6148 -0.5885658 5.105950 
1 1 1   -1   27    1 o  342.633   1.8037 113855.80  1172.49 113316.70  1504.62 114689.20  1870.88  341.620   2.2689  343.646   2.8046 -2.026520 3.607457 
1 1 1   -1   27    2 o  243.438   1.4898 57517.15  696.919 57387.14  921.857 57690.57  1064.68  243.122   1.9533  243.753   2.2501 -0.6300659 2.979681 
1 1 1   -1   27    3 o  304.565   1.6303 90056.23  956.875 89963.12  1278.33 90174.88  1443.04  304.393   2.1634  304.736   2.4394 -0.3428345 3.260566 
1 1 1   -1   27    4 o  220.737   1.4500 47271.92  613.916 47078.70  807.504 47536.58  945.047  220.208   1.8891  221.265   2.2003 -1.057114 2.899953 
1 1 1   -1   27    5 o  149.204   1.2903 21603.78  373.605 21261.30  520.736 21967.07  536.324  147.986   1.8127  150.421   1.8368 -2.435623 2.580633 
1 1 1   -1   27    6 o  116.237   1.1449 13112.63  258.205 12996.80  358.903 13236.90  371.750  115.705   1.5979  116.768   1.6401 -1.063187 2.289803 
1 1 1   -1   27    7 o  270.980   1.6539 71273.96  869.535 70308.06  1207.32 72315.00  1253.39  269.075   2.3114  272.885   2.3661 -3.809967 3.307780 
1 1 1   -1   27    8 o  121.541   1.2102 14340.23  285.496 14452.32  406.631 14231.26  400.933  122.009   1.7169  121.073   1.7059 0.9364853 2.420315 
1 1 1   -1   27    9 o  139.454   1.3037 18878.57  352.837 18703.21  492.852 19062.93  505.357  138.790   1.8293  140.117   1.8580 -1.327484 2.607407 
1 1 1   -1   27   10 o   92.906   1.0220  8375.68  184.256  8658.36  263.767  8106.28  257.500   94.437   1.4388   91.376   1.4517 3.060593 2.043957 
1 1 1   -1   27   11 o  146.477   1.2819 20837.41  363.311 20812.16  535.601 20858.93  494.460  146.391   1.8848  146.562   1.7380 -0.1707153 2.563776 
1 1 1   -1   27   12 o   34.941   0.7772  1185.90   52.685  1163.41   75.370  1207.39   73.675   34.617   1.1216   35.266   1.0762 -0.6487541 1.554441 
1 1 1   -1   27   13 o  229.087   1.3520 51008.96  597.993 51244.90  805.976 50720.02  891.919  229.688   1.8077  228.487   2.0109 1.200546 2.703985 
1 1 1   -1   27   14 o  166.990   1.2405 27157.45  396.883 27542.39  522.962 26634.61  609.473  168.400   1.5998  165.579   1.8962 2.820328 2.480906 
1 1 1   -1   27   15 o   54.779   0.8264  2908.48   87.617  2981.48  129.661  2847.14  118.859   55.410   1.2055   54.149   1.1308 1.261135 1.652821 
1 1 1   -1   27   16 o   83.483   0.8745  6706.69  136.952  6535.18  171.712  7006.53  227.033   82.036   1.0783   84.930   1.3771 -2.893707 1.749020 
1 1 1   -1   27   17 o   47.512   0.7457  2195.63   67.446  2209.89   87.362  2174.58  106.114   47.706   0.9434   47.318   1.1553 0.3877831 1.491497 
1 1 1   -1   27   18 o   35.033   0.8617  1171.95   57.864  1072.72   74.997  1317.91   90.959   33.233   1.1625   36.833   1.2722 -3.599976 1.723353 
1 1 1   -1   27   19 o   83.352   0.9224  6727.16  143.941  6663.70  180.642  6837.54  238.234   82.827   1.1235   83.878   1.4632 -1.050674 1.844762 
1 1 1   -1   27   20 o  108.158   1.1372 11369.25  231.538 11353.83  293.506 11394.66  376.754  108.084   1.3989  108.232   1.7932 -0.1476746 2.274341 
1 1 1   -1   27   21 o   83.259   0.9527  6762.56  148.408  6832.66  187.019  6643.34  243.890   83.860   1.1489   82.658   1.5200 1.202019 1.905338 
1 1 1   -1   27   22 o   22.974   1.3848  507.038   60.401  374.276   80.719  675.973   91.053   19.596   2.1219   26.352   1.7800 -6.755518 2.769672 
1 1 1   -1   27   23 o   88.926   1.0007  7737.06  168.358  7898.75  216.426  7489.28  267.920   90.133   1.2370   87.719   1.5734 2.414200 2.001436 
1 1 1   -1   27   24 o   49.368   0.8944  2374.73   85.067  2407.53  113.949  2333.43  127.855   49.761   1.1797   48.976   1.3448 0.7846489 1.788900 
1 1 1   -1   27   25 o   59.579   0.8770  3454.42   99.755  3454.64  129.827  3454.10  155.865   59.595   1.1222   59.562   1.3481 0.3330994E-01 1.754061 
1 1 1   -1   27   26 o   9.3476   2.5477   58.963   64.659   53.354   84.808   66.748   99.923   8.9274   3.4485   9.7677   3.7512 -0.8402815 5.095479 
1 1 1   -1   27   27 o   37.931   1.0509  1408.20   76.803  1424.79  102.890  1387.33  115.419   38.200   1.3875   37.661   1.5788 0.5385361 2.101844 
1 1 1   -1   27   28 o   10.532   2.4465   87.329   64.151   7.3057   85.809  188.730   96.593   7.7149   3.2797   13.350   3.6312 -5.634868 4.893067 
1 1 1   -1   27   29 o   29.872   1.2172  877.830   70.329  841.521   94.792  922.291  104.894   29.203   1.6722   30.542   1.7692 -1.339439 2.434412 
1 1 1   -1   27   30 o   36.502   1.1308  1319.43   79.917  1368.86  110.530  1265.27  115.685   37.248   1.5287   35.756   1.6667 1.491985 2.261564 
1 1 1   -1   27   31 o   30.377   1.3312  922.144   78.348  895.570  106.996  952.865  115.044   29.926   1.8419   30.828   1.9225 -0.9018803 2.662383 
1 1 1   -1   27   32 o   10.529   2.7707   98.672   86.430 -37.4485  135.968  190.969  111.961   8.3221   3.7964   12.736   4.0366 -4.413554 5.541366 
1 1 1   -1   28    1 o   71.486   2.5840  4990.51  344.548  4872.65  569.471  5058.56  432.740   70.806   4.1432   72.166   3.0891 -1.359879 5.168036 
1 1 1   -1   28    2 o  228.788   1.4423 50636.70  631.785 49736.38  824.441 51917.61  983.384  226.339   1.8764  231.237   2.1908 -4.898117 2.884546 
1 1 1   -1   28    3 o  241.173   1.5111 56478.07  699.609 56498.58  923.341 56450.43  1072.01  241.231   1.9718  241.115   2.2904 0.1159058 3.022237 
1 1 1   -1   28    4 o   83.893   0.8350  6856.12  130.668  6921.04  163.936  6743.04  216.378   84.440   1.0001   83.345   1.3374 1.095627 1.670022 
1 1 1   -1   28    5 o  318.800   1.7444 98660.08  1079.00 97558.89  1498.99 99844.17  1554.40  316.957   2.4363  320.643   2.4973 -3.686493 3.488876 
1 1 1   -1   28    6 o  124.418   1.1908 15025.68  287.528 14891.68  401.735 15166.41  411.701  123.850   1.6710  124.987   1.6969 -1.136688 2.381531 
1 1 1   -1   28    7 o  209.717   1.5298 42710.01  622.740 43253.41  879.031 42162.50  882.354  211.057   2.1456  208.377   2.1814 2.680054 3.059696 
1 1 1   -1   28    8 o  143.498   1.2949 19990.38  360.615 19870.62  503.658 20116.35  516.558  143.057   1.8137  143.938   1.8487 -0.8808289 2.589849 
1 1 1   -1   28    9 o  140.791   1.3074 19247.71  357.309 19341.07  505.555 19154.52  505.066  141.132   1.8453  140.450   1.8525 0.6825409 2.614790 
1 1 1   -1   28   10 o  190.402   1.5028 35199.66  555.246 34814.25  773.682 35608.98  797.326  189.329   2.1051  191.475   2.1452 -2.146332 3.005541 
1 1 1   -1   28   11 o   77.341   0.9119  5808.40  136.882  5689.61  193.700  5926.89  193.460   76.551   1.3035   78.132   1.2756 -1.580536 1.823781 
1 1 1   -1   28   12 o  100.312   1.0650  9757.80  206.865  9962.03  304.789  9583.37  281.680  101.282   1.5502   99.342   1.4607 1.940376 2.129998 
1 1 1   -1   28   13 o  111.443   1.0526 12041.45  218.500 11993.01  272.707 12128.30  365.164  111.138   1.2641  111.747   1.6834 -0.6087341 2.105149 
1 1 1   -1   28   14 o   77.032   0.8182  5731.25  118.488  5642.22  149.364  5882.40  194.609   76.233   1.0093   77.831   1.2881 -1.598320 1.636441 
1 1 1   -1   28   15 o   29.046   0.8735  806.213   48.816  722.140   64.049  922.748   75.407   27.269   1.2100   30.824   1.2603 -3.555010 1.747085 
1 1 1   -1   28   16 o  102.706   0.9942 10275.76  192.573 10369.75  245.473 10125.33  310.534  103.329   1.2238  102.083   1.5671 1.246529 1.988334 
1 1 1   -1   28   17 o   71.489   1.9360  5168.74  139.683  5202.59  145.333  4758.71  505.868   73.195   1.0229   69.783   3.7344 3.411835 3.871957 
1 1 1   -1   28   18 o  100.494   1.0406  9815.29  195.607  9816.68  245.740  9812.90  323.152  100.521   1.2594  100.467   1.6570 0.5422211E-01 2.081248 
1 1 1   -1   28   19 o  129.272   1.2183 16220.71  298.557 16113.58  382.417 16387.94  477.775  128.752   1.5301  129.792   1.8963 -1.039734 2.436630 
1 1 1   -1   28   20 o   78.591   0.8901  6010.64  132.254  6041.67  169.092  5961.75  212.253   78.863   1.1046   78.319   1.3961 0.5437851 1.780221 
1 1 1   -1   28   21 o   68.143   0.8601  4465.68  109.974  4336.25  137.839  4692.36  182.418   66.809   1.0629   69.477   1.3526 -2.668579 1.720206 
1 1 1   -1   28   22 o   80.190   0.9319  6295.23  141.224  6452.17  181.422  6053.91  224.973   81.483   1.1470   78.897   1.4689 2.586143 1.863705 
1 1 1   -1   28   23 o   93.539   1.0529  8509.36  185.173  8497.68  234.304  8528.77  302.223   93.482   1.2912   93.596   1.6634 -0.1135635 2.105742 
1 1 1   -1   28   24 o   44.800   0.9069  1938.80   78.190  1855.42  103.099  2051.69  119.961   43.679   1.2159   45.921   1.3457 -2.242039 1.813709 
1 1 1   -1   28   25 o   32.612   1.1528  1037.09   72.953  997.994  102.084  1077.91  104.294   31.983   1.6443   33.241   1.6163 -1.258770 2.305652 
1 1 1   -1   28   26 o   65.159   0.9139  4145.98  112.794  4174.57  144.780  4101.83  179.915   65.476   1.1391   64.842   1.4294 0.6336212 1.827743 
1 1 1   -1   28   27 o   11.336   2.5845  128.074   64.711  134.437   88.481  120.756   94.884   11.520   3.5793   11.151   3.7291 0.3693094 5.168911 
1 1 1   -1   28   28 o   15.912   2.1327  258.870   64.195  207.525   87.468  318.816   94.511   14.011   3.2748   17.814   2.7332 -3.802275 4.265467 
1 1 1   -1   28   29 o   21.011   1.7605  449.612   70.941  509.329   98.275  384.639  102.509   22.557   2.2444   19.466   2.7128 3.090586 3.520914 
1 1 1   -1   28   30 o   46.991   0.9944  2184.53   89.613  2240.86  118.856  2110.32  136.415   47.754   1.2822   46.227   1.5202 1.526714 1.988708 
1 1 1   -1   28   31 o   25.542   1.5427  663.876   75.967  687.628  102.920  635.446  112.600   26.119   2.0299   24.965   2.3235 1.153719 3.085309 
1 1 1   -1   28   32 o   12.224   2.9107  177.057   89.099   71.691  141.656  246.026  114.607   10.106   4.2506   14.342   3.9776 -4.235877 5.821428 
1 1 1   -1   29    1 o  152.818   1.5764 22683.19  395.029 22689.50  450.927 22662.38  819.149  152.881   1.5195  152.756   2.7625 0.1251373 3.152789 
1 1 1   -1   29    2 o  120.251   1.0387 13924.65  233.562 13628.45  291.821 14452.55  389.584  118.488   1.2687  122.013   1.6449 -3.524223 2.077332 
1 1 1   -1   29    3 o  226.066   1.4830 49620.79  642.858 49613.86  845.730 49630.27  989.345  226.054   1.9273  226.077   2.2544 -0.2360535E-01 2.965934 
1 1 1   -1   29    4 o   54.176   0.7407  2847.94   77.865  2810.07  108.394  2888.33  111.927   53.805   1.0378   54.548   1.0570 -0.7439461 1.481347 
1 1 1   -1   29    5 o  107.458   1.1129 11205.05  232.100 11463.89  332.643 10959.48  324.004  108.667   1.5769  106.249   1.5709 2.417473 2.225895 
1 1 1   -1   29    6 o  291.358   1.7186 82400.12  971.371 81439.00  1346.52 83443.01  1402.65  289.589   2.3953  293.126   2.4651 -3.536743 3.437176 
1 1 1   -1   29    7 o  218.813   1.5936 46508.07  676.530 46873.48  943.829 46121.92  970.234  219.700   2.2131  217.927   2.2935 1.772736 3.187151 
1 1 1   -1   29    8 o  182.801   1.5005 32460.79  532.193 32750.29  743.035 32155.83  762.617  183.640   2.0844  181.962   2.1590 1.678024 3.001014 
1 1 1   -1   29    9 o  177.603   1.4906 30637.68  513.806 30802.73  720.899 30467.28  732.503  178.091   2.0853  177.116   2.1305 0.9748230 2.981208 
1 1 1   -1   29   10 o   69.621   0.8711  4702.88  117.693  4860.87  168.786  4553.38  164.195   70.759   1.2288   68.484   1.2351 2.274696 1.742270 
1 1 1   -1   29   11 o  151.975   1.3267 22404.41  389.898 22776.41  579.395 22096.53  527.105  153.122   1.9493  150.829   1.8003 2.293030 2.653454 
1 1 1   -1   29   12 o  161.746   1.3716 25432.50  428.439 25239.92  637.745 25590.91  578.400  161.180   2.0383  162.312   1.8357 -1.131958 2.743110 
1 1 1   -1   29   13 o  163.924   1.2130 26064.46  380.401 25889.40  496.639 26312.96  591.695  163.269   1.5670  164.578   1.8521 -1.309235 2.426050 
1 1 1   -1   29   14 o   56.072   0.7191  3028.28   76.350  2945.95   97.130  3161.42  123.513   55.085   0.9084   57.060   1.1151 -1.974777 1.438256 
1 1 1   -1   29   15 f  119.376   1.0747 13867.09  243.297 13949.65  312.845 13740.76  387.016  119.839   1.3448  118.913   1.6766 0.9257889 2.149327 
1 1 1   -1   29   16 f  122.077   1.0894 14471.45  252.198 14437.21  323.560 14524.45  402.571  121.908   1.3673  122.246   1.6965 -0.3384628 2.178861 
1 1 1   -1   29   17 o   53.397   0.7580  2782.41   77.018  2839.65  100.062  2699.22  120.640   54.077   0.9532   52.716   1.1789 1.360668 1.516065 
1 1 1   -1   29   18 o   69.027   0.8222  4646.53  107.193  4708.70  137.108  4548.79  171.920   69.630   1.0144   68.424   1.2944 1.206062 1.644480 
1 1 1   -1   29   19 o   26.587   1.1072  685.516   56.687  674.319   75.257  700.200   86.184   26.339   1.4719   26.835   1.6545 -0.4956417 2.214446 
1 1 1   -1   29   20 f   27.673   1.0756  748.088   57.259  773.770   76.788  715.923   85.934   28.214   1.4020   27.132   1.6316 1.082230 2.151250 
1 1 1   -1   29   21 o   48.703   0.8247  2308.35   76.637  2322.97   99.773  2287.31  119.687   48.897   1.0512   48.509   1.2711 0.3882484 1.649395 
1 1 1   -1   29   22 o   58.913   0.8480  3328.42   94.818  3169.87  120.685  3584.14  153.264   57.112   1.0886   60.713   1.3005 -3.601021 1.695932 
1 1 1   -1   29   23 o   28.551   1.1757  801.071   64.541  871.736   88.152  719.422   94.756   29.929   1.5173   27.174   1.7963 2.754757 2.351395 
1 1 1   -1   29   24 o   20.358   1.6351  405.012   64.521  398.344   88.594  412.543   94.153   20.183   2.2613   20.533   2.3623 -0.3495827 3.270101 
1 1 1   -1   29   25 o   21.981   1.5442  471.006   65.680  441.106   88.665  507.363   97.772   21.216   2.1529   22.747   2.2142 -1.531332 3.088361 
1 1 1   -1   29   26 f   22.416   1.5998  495.859   69.394  535.790   97.548  454.948   98.738   23.347   2.1524   21.485   2.3675 1.861689 3.199657 
1 1 1   -1   29   27 o   37.598   1.0296  1380.82   74.756  1368.04  100.512  1396.65  111.834   37.417   1.3838   37.779   1.5250 -0.3621140 2.059242 
1 1 1   -1   29   28 o   31.839   1.1541  1001.23   71.014  1057.11   97.853  939.050  103.220   32.806   1.5366   30.872   1.7224 1.933172 2.308191 
1 1 1   -1   29   29 o   25.542   1.4351  648.811   71.086  634.151   97.971  665.109  103.302   25.247   1.9990   25.837   2.0597 -0.5895042 2.870274 
1 1 1   -1   29   30 o   23.609   1.5971  562.515   72.385  459.190   99.846  676.982  105.091   21.257   2.4197   25.961   2.0854 -4.703735 3.194298 
1 1 1   -1   29   31 o   15.862   2.4531  281.143   76.787  166.968  106.962  402.560  110.301   12.155   3.9547   19.570   2.9035 -7.415179 4.906145 
1 1 1   -1   29   32 o   7.3462   2.4373 -82.2405   87.577 -80.3838  129.786 -83.7926  118.665   7.5485   3.5349   7.1439   3.3564 0.4046187 4.874527 
1 1 1   -1   30    1 o  161.577   1.5989 25480.40  434.441 25610.76  502.389 25093.88  865.075  162.421   1.5934  160.734   2.7726 1.686874 3.197833 
1 1 1   -1   30    2 o  154.487   1.5617 22936.21  399.458 22721.26  456.869 23633.84  823.084  152.985   1.5384  155.990   2.7182 -3.004364 3.123371 
1 1 1   -1   30    3 o  132.352   1.1373 17016.68  282.999 17049.02  358.323 16963.06  461.375  132.523   1.3929  132.180   1.7981 0.3426819 2.274517 
1 1 1   -1   30    4 o  372.040   1.7871 134430.80  1284.74 134512.59  1736.28 134331.80  1909.90  372.175   2.4033  371.904   2.6455 0.2713318 3.574175 
1 1 1   -1   30    5 o  180.162   1.4494 31512.68  506.833 31251.21  710.844 31783.05  722.846  179.403   2.0412  180.922   2.0582 -1.519531 2.898726 
1 1 1   -1   30    6 o   71.080   2.3152  4888.70  318.686  4606.84  432.826  5222.43  470.966   68.853   3.2384   73.307   3.3096 -4.454132 4.630390 
1 1 1   -1   30    7 o   23.362   0.9513  533.595   42.837  477.850   61.982  584.571   59.271   22.186   1.4392   24.539   1.2443 -2.353493 1.902534 
1 1 1   -1   30    8 o   74.714   0.9142  5419.62  132.583  5485.92  187.399  5353.17  187.602   75.172   1.2842   74.257   1.3015 0.9152908 1.828416 
1 1 1   -1   30    9 o  127.672   1.2609 15834.31  312.358 16018.57  436.656 15641.21  447.009  128.434   1.7514  126.910   1.8145 1.524261 2.521892 
1 1 1   -1   30   10 o   40.118   0.7603  1562.50   59.208  1557.14   83.844  1567.84   83.622   40.049   1.0785   40.186   1.0720 -0.1374741 1.520601 
1 1 1   -1   30   11 f   48.449   0.7606  2274.62   71.449  2427.62  103.414  2134.89   98.829   50.005   1.0654   46.893   1.0857 3.111912 1.521106 
1 1 1   -1   30   12 o  205.179   1.5051 40881.12  595.426 41111.18  896.875 40699.80  796.204  205.682   2.2463  204.676   2.0040 1.006149 3.010285 
1 1 1   -1   30   13 o   40.387   0.6887  1591.49   53.011  1627.24   69.144  1540.50   82.568   40.941   0.8700   39.832   1.0679 1.108456 1.377408 
1 1 1   -1   30   14 o   71.018   0.7985  4897.13  106.593  4895.39  134.827  4900.03  174.074   71.006   0.9782   71.030   1.2625 -0.2468872E-01 1.597088 
1 1 1   -1   30   15 o   28.812   0.8488  806.105   47.306  804.654   64.238  807.825   69.927   28.785   1.1496   28.840   1.2491 -0.5517006E-01 1.697601 
1 1 1   -1   30   16 f  115.468   1.0711 13010.87  233.974 13210.44  300.277 12702.44  373.293  116.615   1.3265  114.321   1.6821 2.294128 2.142227 
1 1 1   -1   30   17 o   56.626   0.7624  3102.78   81.727  3063.09  104.269  3166.00  131.604   56.162   0.9564   57.090   1.1875 -0.9273071 1.524779 
1 1 1   -1   30   18 o   27.564   1.0317  731.837   54.723  691.729   72.016  786.640   84.181   26.680   1.3905   28.448   1.5244 -1.768084 2.063321 
1 1 1   -1   30   19 o   73.876   0.8735  5319.85  121.434  5373.74  154.294  5232.14  196.839   74.379   1.0687   73.372   1.3820 1.006111 1.746994 
1 1 1   -1   30   20 o   24.839   1.1703  601.942   56.209  625.025   77.098  575.753   82.123   25.352   1.5666   24.326   1.7391 1.025290 2.340686 
1 1 1   -1   30   21 o   49.621   0.8371  2414.16   79.375  2528.68  104.928  2260.95  121.363   51.016   1.0595   48.227   1.2964 2.788696 1.674287 
1 1 1   -1   30   22 o   36.174   0.9560  1276.11   66.919  1327.40   92.255  1219.16   97.214   36.947   1.2863   35.401   1.4146 1.545410 1.912014 
1 1 1   -1   30   23 o   49.710   0.8881  2409.06   84.692  2442.98  111.962  2363.71  129.486   50.128   1.1506   49.293   1.3532 0.8356018 1.776270 
1 1 1   -1   30   24 o   53.352   0.8856  2781.16   90.340  2838.39  118.655  2702.22  139.346   54.020   1.1315   52.683   1.3626 1.336926 1.771128 
1 1 1   -1   30   25 o   69.576   0.9164  4730.33  120.760  4782.59  155.136  4649.96  192.369   70.094   1.1402   69.057   1.4350 1.037369 1.832834 
1 1 1   -1   30   26 o   52.934   0.9101  2742.85   92.695  2812.26  124.056  2655.10  139.475   53.714   1.1898   52.154   1.3777 1.560013 1.820297 
1 1 1   -1   30   27 o   29.413   1.3938  834.241   78.630  975.670  123.362  737.468  102.045   31.456   2.0203   27.369   1.9208 4.087601 2.787609 
1 1 1   -1   30   28 o   7.2597   2.2732 -20.8328   63.589  -6.2983   87.021 -37.4861   93.148   7.4207   3.2297   7.0988   3.1999 0.3218670 4.546453 
1 1 1   -1   30   29 o   16.209   2.1987  277.612   67.088  192.910   92.928  369.811   96.953   13.321   3.5351   19.096   2.6155 -5.774671 4.397449 
1 1 1   -1   30   30 o   23.087   1.7233  549.026   76.012  446.779  108.320  648.224  106.693   20.831   2.6788   25.343   2.1688 -4.512074 3.446697 
1 1 1   -1   30   31 o   8.5046   2.6119   16.451   78.562  -7.4842  130.224   30.147   98.507   8.6398   3.8472   8.3695   3.5337 0.2702732 5.223835 
1 1 1   -1   31    1 o  178.205   1.5961 30511.70  489.140 30143.38  570.074 31539.68  952.374  176.207   1.6666  180.203   2.7226 -3.996231 3.192200 
1 1 1   -1   31    2 o  227.184   1.6962 50051.54  697.645 49928.58  845.268 50314.29  1235.61  226.768   1.9202  227.599   2.7967 -0.8303528 3.392453 
1 1 1   -1   31    3 o   59.977   0.6935  3475.23   77.088  3437.00   95.450  3546.93  130.725   59.506   0.8263   60.448   1.1141 -0.9424706 1.387068 
1 1 1   -1   31    4 o  132.918   1.1196 17060.77  280.826 16771.58  356.016 17537.07  456.890  131.439   1.3953  134.397   1.7513 -2.958023 2.239193 
1 1 1   -1   31    5 o  147.026   1.1888 20810.20  328.657 20294.30  413.616 21693.85  541.321  144.581   1.4737  149.471   1.8657 -4.890213 2.377517 
1 1 1   -1   31    6 o  120.520   1.2216 14102.43  285.780 14009.00  401.553 14198.32  406.806  120.116   1.7222  120.925   1.7330 -0.8086243 2.443214 
1 1 1   -1   31    7 o  168.953   1.4528 27693.40  476.157 26963.75  658.768 28491.62  689.027  166.626   2.0367  171.280   2.0724 -4.653992 2.905638 
1 1 1   -1   31    8 o  144.154   1.3361 20184.93  373.798 20385.24  524.731 19978.54  532.617  144.881   1.8658  143.426   1.9130 1.454742 2.672229 
1 1 1   -1   31    9 o  107.730   1.1239 11265.28  234.947 11098.11  326.728 11444.27  338.092  106.904   1.5745  108.557   1.6044 -1.653290 2.247888 
1 1 1   -1   31   10 o  116.599   1.1987 13205.64  271.262 13276.61  380.806 13132.54  386.501  116.918   1.6779  116.280   1.7123 0.6377182 2.397339 
1 1 1   -1   31   11 o  100.098   1.0974  9729.91  213.221  9819.71  302.810  9641.60  300.284  100.556   1.5513   99.640   1.5525 0.9162064 2.194726 
1 1 1   -1   31   12 o  183.592   1.4759 32744.01  522.858 32847.82  783.837 32660.79  701.810  183.842   2.1964  183.342   1.9719 0.5003052 2.951748 
1 1 1   -1   31   13 o   85.128   0.9764  7037.48  161.321  7087.48  230.895  6989.79  225.485   85.423   1.3924   84.833   1.3693 0.5898056 1.952883 
1 1 1   -1   31   14 o   42.053   0.7087  1723.67   57.108  1760.10   75.425  1674.72   87.422   42.577   0.9126   41.528   1.0845 1.048481 1.417344 
1 1 1   -1   31   15 o  106.376   1.0063 11007.34  202.409 11054.42  258.792 10933.17  324.834  106.681   1.2497  106.071   1.5776 0.6100693 2.012590 
1 1 1   -1   31   16 o  127.399   1.5928 16036.59  314.849 16202.26  352.899 15390.23  697.062  129.137   1.4078  125.662   2.8576 3.475243 3.185556 
1 1 1   -1   31   17 o   74.760   0.8576  5442.53  120.949  5485.14  154.176  5374.34  195.032   75.150   1.0569   74.371   1.3509 0.7788544 1.715235 
1 1 1   -1   31   18 o  108.509   1.0862 11458.03  223.160 11502.90  285.968 11388.16  356.873  108.799   1.3540  108.219   1.6988 0.5809937 2.172405 
1 1 1   -1   31   19 o   36.371   0.8933  1273.79   62.683  1185.81   83.231  1389.08   95.280   34.934   1.2273   37.808   1.2983 -2.873341 1.786573 
1 1 1   -1   31   20 o   71.798   0.8702  5018.29  117.862  5045.58  150.143  4974.48  190.252   72.064   1.0733   71.532   1.3701 0.5323868 1.740481 
1 1 1   -1   31   21 o   26.658   1.1602  694.445   59.682  779.217   84.239  609.008   84.569   28.302   1.5333   25.013   1.7417 3.289522 2.320491 
1 1 1   -1   31   22 o   15.991   2.0092  252.781   60.985  233.987   82.492  275.433   90.564   15.208   2.9001   16.773   2.7814 -1.565097 4.018315 
1 1 1   -1   31   23 o   44.756   0.9199  1922.76   78.933  1795.41  102.539  2107.99  123.662   42.966   1.2294   46.545   1.3687 -3.579056 1.839749 
1 1 1   -1   31   24 o   28.362   1.2636  788.923   69.144  823.876   94.085  747.876  101.959   29.059   1.6679   27.664   1.8986 1.394091 2.527208 
1 1 1   -1   31   25 o   35.621   1.0782  1229.35   73.957  1170.36   97.644  1308.73  113.270   34.636   1.4523   36.607   1.5940 -1.971092 2.156375 
1 1 1   -1   31   26 o   38.811   1.0203  1460.85   76.494  1367.19  102.226  1580.02  115.309   37.414   1.4076   40.207   1.4774 -2.793949 2.040551 
1 1 1   -1   31   27 o   37.688   1.0323  1393.88   75.230  1420.64  102.584  1362.75  110.656   38.097   1.3872   37.279   1.5291 0.8179436 2.064574 
1 1 1   -1   31   28 o   29.715   1.3638  869.687   77.919  923.054  120.051  830.840  102.425   30.461   2.0303   28.968   1.8215 1.492651 2.727594 
1 1 1   -1   31   29 o   14.548   2.5230  229.517   70.801  270.698  105.080  195.277   95.816   15.754   3.5243   13.342   3.6113 2.412023 5.045993 
1 1 1   -1   31   30 o   24.610   1.5801  614.598   75.389  583.481  107.037  645.231  106.200   23.959   2.3014   25.261   2.1658 -1.301167 3.160241 
1 1 1   -1   31   31 o   7.7279   2.5021 -75.5112   81.818   39.065  136.664 -139.5183  102.146   9.5011   4.0911   5.9546   2.8818 3.546561 5.004202 
1 1 1   -1   32    1 o  159.481   1.6270 24701.28  428.819 24701.70  491.162 24699.92  879.456  159.509   1.5863  159.454   2.8413 0.5531311E-01 3.254095 
1 1 1   -1   32    2 o   44.765   2.8268  1942.40  245.213  1842.59  335.048  2057.53  359.843   43.531   3.9650   45.998   4.0300 -2.467510 5.653523 
1 1 1   -1   32    3 o  129.089   1.1159 16107.55  270.299 15905.16  340.015 16455.07  445.555  127.997   1.3685  130.181   1.7631 -2.183952 2.231894 
1 1 1   -1   32    4 o  107.378   1.0000 11179.04  201.449 11136.82  253.875 11250.83  331.017  107.108   1.2211  107.647   1.5841 -0.5396805 2.000082 
1 1 1   -1   32    5 o  158.273   1.2740 24319.34  382.515 24301.08  491.266 24347.47  609.601  158.205   1.5997  158.341   1.9833 -0.1361542 2.548024 
1 1 1   -1   32    6 o  175.197   1.4395 29806.96  489.372 29713.32  682.594 29906.00  701.965  174.915   2.0103  175.479   2.0608 -0.5635529 2.878917 
1 1 1   -1   32    7 o   82.411   0.9578  6594.67  153.203  6664.06  215.888  6524.28  217.445   82.848   1.3424   81.974   1.3665 0.8739624 1.915545 
1 1 1   -1   32    8 o  296.583   1.7836 85495.41  1026.56 85751.20  1436.12 85228.15  1467.96  297.042   2.4906  296.124   2.5537 0.9173279 3.567182 
1 1 1   -1   32    9 f   70.904   0.8827  4881.63  121.475  4899.11  170.598  4863.66  173.010   71.033   1.2372   70.775   1.2593 0.2578812 1.765363 
1 1 1   -1   32   10 o  140.912   1.3860 19289.46  379.126 19416.26  536.783 19163.25  535.551  141.374   1.9560  140.449   1.9643 0.9246674 2.772088 
1 1 1   -1   32   11 o  109.566   1.1980 11660.29  254.788 11671.41  360.347 11649.17  360.303  109.618   1.6935  109.513   1.6949 0.1045380 2.395905 
1 1 1   -1   32   12 o   34.008   0.8402  1118.33   55.310  1184.89   82.022  1062.83   74.902   34.931   1.2096   33.084   1.1663 1.847565 1.680316 
1 1 1   -1   32   13 o  104.430   1.1407 10590.59  230.944 10702.28  335.925 10490.49  318.019  104.949   1.6489  103.910   1.5766 1.038704 2.281373 
1 1 1   -1   32   14 f  105.802   0.9974 10887.99  198.523 10929.53  251.697 10819.60  322.947  106.081   1.2223  105.523   1.5766 0.5581360 1.994896 
1 1 1   -1   32   15 o   33.721   0.8006  1105.83   52.184  1120.88   70.884  1088.02   77.105   33.973   1.0748   33.470   1.1868 0.5037041 1.601164 
1 1 1   -1   32   16 o  128.413   1.1637 16056.64  282.991 16151.87  362.966 15909.02  451.918  128.922   1.4504  127.904   1.8202 1.017937 2.327337 
1 1 1   -1   32   17 o   77.837   0.8890  5847.05  130.087  5733.35  163.840  6041.01  213.981   76.829   1.0986   78.845   1.3981 -2.016144 1.778073 
1 1 1   -1   32   18 o   98.395   1.0319  9333.41  190.314  9122.03  238.508  9703.85  315.747   96.892   1.2681   99.899   1.6282 -3.006523 2.063771 
1 1 1   -1   32   19 o   58.656   0.7975  3329.86   89.175  3276.69  115.238  3409.22  140.790   58.080   1.0221   59.232   1.2245 -1.152519 1.595022 
1 1 1   -1   32   20 o   49.457   0.8259  2372.10   77.650  2352.87   99.968  2401.36  123.293   49.211   1.0465   49.703   1.2779 -0.4919815 1.651713 
1 1 1   -1   32   21 o   38.720   0.9168  1463.51   68.603  1538.28   94.320  1379.54   99.965   39.778   1.2215   37.662   1.3674 2.116119 1.833502 
1 1 1   -1   32   22 o   11.024   2.0663   98.202   57.919  239.913   82.062 -42.4618   81.758   15.410   2.8483   6.6375   2.9943 8.772078 4.132660 
1 1 1   -1   32   23 o   69.966   0.9031  4775.90  119.713  4824.50  153.851  4701.33  190.587   70.437   1.1252   69.495   1.4128 0.9422226 1.806105 
1 1 1   -1   32   24 o   19.056   1.7894  358.124   65.669  365.654   88.089  348.704   98.525   19.299   2.3514   18.812   2.6980 0.4864674 3.578843 
1 1 1   -1   32   25 o   42.684   0.9864  1785.92   80.984  1845.92  108.544  1710.58  121.628   43.514   1.2850   41.855   1.4970 1.658642 1.972896 
1 1 1   -1   32   26 o   11.393   2.5371  131.016   63.246  152.098   86.820  107.177   92.321   12.117   3.4969   10.668   3.6767 1.449179 5.074142 
1 1 1   -1   32   27 o   9.4070   2.4743   63.366   63.324   11.695   87.627  119.845   91.613   7.8569   3.3260   10.957   3.6642 -3.100152 4.948588 
1 1 1   -1   32   28 o   22.561   1.6186  512.212   70.532  482.794  102.999  538.188   96.785   21.906   2.4222   23.216   2.1476 -1.310387 3.237155 
1 1 1   -1   32   29 o   23.213   1.9622  577.358   82.211  476.749  136.783  634.254  102.863   21.287   3.3103   25.138   2.1079 -3.851818 3.924424 
1 1 1   -1   32   30 o   9.9931   2.5971   80.264   73.051  -8.3804  104.802  164.033  101.879   7.8858   3.4843   12.100   3.8522 -4.214549 5.194204 
1 1 1   -1   32   31 o   10.015   2.7960   92.125   80.646   64.744  125.424  111.425  105.299   9.6568   4.0264   10.373   3.8807 -0.7161188 5.592056 
1 1 1   -1   33    1 o   98.265   1.6828  9408.58  203.897  9417.33  216.655  9340.72  603.104   98.494   1.1332   98.036   3.1691 0.4579849 3.365639 
1 1 1   -1   33    2 o   31.730   3.8286  988.232  223.957  650.243  299.653  1415.94  337.087   25.318   6.1566   38.142   4.5527 -12.82451 7.657101 
1 1 1   -1   33    3 o  136.491   1.1904 18094.00  305.701 18109.71  387.401 18068.06  497.676  136.576   1.4612  136.406   1.8795 0.1702423 2.380723 
1 1 1   -1   33    4 o  118.734   1.0558 13670.52  234.845 13622.63  295.390 13752.79  387.171  118.457   1.2846  119.012   1.6759 -0.5546417 2.111600 
1 1 1   -1   33    5 o   77.278   0.8270  5782.21  118.190  5747.55  146.166  5847.68  200.880   76.947   0.9786   77.609   1.3334 -0.6622543 1.653948 
1 1 1   -1   33    6 o   70.245   0.8679  4790.49  118.333  4892.30  167.858  4689.91  166.843   70.987   1.2181   69.503   1.2366 1.484131 1.735834 
1 1 1   -1   33    7 o  110.764   1.1895 11932.80  255.206 11600.55  370.156 12233.83  352.336  109.289   1.7448  112.238   1.6172 -2.948639 2.378957 
1 1 1   -1   33    8 o   23.786   1.0194  549.419   47.055  548.693   67.267  550.115   65.847   23.770   1.4578   23.802   1.4252 -0.3104973E-01 2.038703 
1 1 1   -1   33    9 o   50.771   0.7723  2502.56   76.112  2499.59  107.163  2505.59  108.119   50.741   1.0880   50.801   1.0964 -0.6076050E-01 1.544596 
1 1 1   -1   33   10 o  145.970   1.3572 20690.91  384.461 20341.54  535.985 21061.17  551.778  144.702   1.9081  147.238   1.9305 -2.535751 2.714405 
1 1 1   -1   33   11 o  105.445   1.1533 10798.17  236.029 11043.30  336.471 10560.68  331.182  106.623   1.6257  104.267   1.6363 2.356415 2.306547 
1 1 1   -1   33   12 o  152.951   1.3784 22731.48  407.280 22822.01  606.942 22657.32  549.320  153.217   2.0407  152.685   1.8534 0.5321350 2.756704 
1 1 1   -1   33   13 o   70.618   0.8936  4834.94  122.361  5027.62  178.131  4662.79  168.372   71.947   1.2754   69.288   1.2518 2.658646 1.787129 
1 1 1   -1   33   14 o   73.057   0.8104  5164.86  110.972  5112.58  139.454  5255.12  183.239   72.560   0.9901   73.553   1.2834 -0.9926834 1.620891 
1 1 1   -1   33   15 o   27.402   0.9009  732.584   47.562  758.671   64.140  700.717   70.890   27.948   1.1823   26.856   1.3598 1.091812 1.801889 
1 1 1   -1   33   16 o  110.509   1.0624 11902.54  223.634 12046.06  290.518 11693.83  350.353  111.344   1.3441  109.674   1.6457 1.670006 2.124818 
1 1 1   -1   33   17 o   76.302   0.8894  5674.51  128.146  5735.46  163.743  5578.18  205.849   76.842   1.0977   75.762   1.3997 1.079430 1.778809 
1 1 1   -1   33   18 o   88.215   0.9732  7617.50  162.669  7825.70  210.046  7305.51  257.128   89.746   1.2057   86.684   1.5281 3.061783 1.946450 
1 1 1   -1   33   19 o   36.194   0.9016  1260.71   63.014  1150.63   84.044  1402.04   95.230   34.408   1.2583   37.980   1.2917 -3.572155 1.803247 
1 1 1   -1   33   20 o   78.632   0.9315  6030.71  138.113  6095.99  176.071  5926.29  222.679   79.203   1.1452   78.062   1.4695 1.140800 1.863049 
1 1 1   -1   33   21 f   39.783   0.9213  1540.49   70.923  1558.31   96.816  1519.86  104.189   40.034   1.2458   39.531   1.3577 0.5033913 1.842688 
1 1 1   -1   33   22 f   58.812   0.8545  3349.55   95.356  3299.46  122.105  3427.86  152.665   58.262   1.0797   59.362   1.3248 -1.100594 1.709056 
1 1 1   -1   33   23 o   55.105   0.8926  2951.31   93.218  2937.47  119.405  2972.91  149.167   54.955   1.1193   55.254   1.3907 -0.2987595 1.785201 
1 1 1   -1   33   24 o   44.128   0.9453  1881.24   80.026  1797.15  104.445  2000.80  124.533   42.955   1.2526   45.301   1.4162 -2.346390 1.890629 
1 1 1   -1   33   25 o   17.685   2.0068  317.891   65.854  330.406   86.188  300.337  102.078   18.291   2.4274   17.079   3.1965 1.212229 4.013684 
1 1 1   -1   33   26 o   23.113   1.5029  528.911   67.212  554.563   92.981  500.838   97.268   23.721   2.0193   22.506   2.2264 1.215155 3.005736 
1 1 1   -1   33   27 o   31.396   1.1546  969.012   70.134  953.934   95.044  987.036  103.917   31.145   1.5721   31.648   1.6915 -0.5031815 2.309246 
1 1 1   -1   33   28 o   40.188   1.0100  1591.68   78.537  1646.15  108.016  1530.59  114.394   40.943   1.3591   39.432   1.4945 1.510967 2.020016 
1 1 1   -1   33   29 o   17.590   2.1868  326.435   72.675  379.241  106.278  280.056   99.602   19.135   2.8612   16.044   3.3080 3.091227 4.373666 
1 1 1   -1   33   30 o   26.905   1.6630  762.753   83.873  618.834  127.589  872.270  111.300   24.383   2.6956   29.427   1.9484 -5.043724 3.326050 
1 1 1   -1   33   31 o   8.0718   2.5608 -14.5988   83.715 -72.6351  135.603   21.142  106.415   7.8180   3.6453   8.3256   3.5974 -0.5075378 5.121513 
1 1 1   -1   34    1 o   95.565   1.7043  8935.24  196.134  8952.82  207.760  8791.20  594.647   96.033   1.1145   95.098   3.2213 0.9357834 3.408600 
1 1 1   -1   34    2 o   28.044   3.6469  1107.40   52.524  1121.60   53.095  457.730  359.133   33.992   0.8047   22.096   7.2493 11.89618 7.293819 
1 1 1   -1   34    3 o  203.311   1.4549 40084.63  563.222 39826.94  727.680 40469.68  889.500  202.511   1.8511  204.111   2.2450 -1.600479 2.909723 
1 1 1   -1   34    4 o  105.059   0.9883 10763.68  194.764 10903.35  246.471 10531.44  317.810  105.976   1.1981  104.143   1.5721 1.832726 1.976576 
1 1 1   -1   34    5 o  180.438   1.4326 31631.86  499.519 31684.05  675.356 31568.82  742.223  180.609   1.9263  180.266   2.1211 0.3430481 2.865243 
1 1 1   -1   34    6 o  108.999   1.1469 11536.49  242.643 11388.23  340.594 11689.27  345.762  108.288   1.6203  109.710   1.6235 -1.421783 2.293734 
1 1 1   -1   34    7 f  201.282   1.5906 39377.98  621.338 39842.40  873.095 38901.43  884.424  202.488   2.2212  200.077   2.2772 2.411377 3.181120 
1 1 1   -1   34    8 o   62.788   2.6370  3836.03  319.031  3815.40  425.560  3862.50  482.059   62.607   3.5016   62.968   3.9438 -0.3608971 5.273994 
1 1 1   -1   34    9 o  162.603   1.4831 25689.18  468.088 25614.08  657.041 25766.59  667.023  162.363   2.0847  162.844   2.1101 -0.4804840 2.966222 
1 1 1   -1   34   10 o   40.869   0.8034  1621.35   63.728  1657.80   90.933  1586.17   89.337   41.320   1.1337   40.418   1.1387 0.9026794 1.606796 
1 1 1   -1   34   11 o   19.714   1.2652  377.606   48.268  378.295   71.149  377.018   65.699   19.730   1.8577   19.698   1.7182 0.3149796E-01 2.530492 
1 1 1   -1   34   12 o   46.818   0.7950  2128.10   72.238  2153.86  103.290  2103.44  101.066   47.095   1.1298   46.541   1.1187 0.5542984 1.589966 
1 1 1   -1   34   13 o   29.102   0.9621  823.393   54.301  801.657   77.781  844.060   75.843   28.726   1.3948   29.478   1.3254 -0.7512283 1.924157 
1 1 1   -1   34   14 o   47.826   0.7147  2216.28   64.966  2197.36   83.581  2245.14  103.259   47.571   0.9051   48.081   1.1063 -0.5096207 1.429408 
1 1 1   -1   34   15 o  123.675   1.1313 14886.99  264.188 14949.47  336.998 14787.38  425.540  124.035   1.3997  123.316   1.7777 0.7182159 2.262563 
1 1 1   -1   34   16 o   79.080   0.8838  6098.24  131.647  6171.37  167.611  5980.49  212.694   79.710   1.0832   78.449   1.3967 1.261436 1.767534 
1 1 1   -1   34   17 o   67.511   0.8332  4433.54  106.074  4451.94  135.012  4403.86  171.457   67.702   1.0273   67.320   1.3120 0.3819427 1.666386 
1 1 1   -1   34   18 o   96.113   1.0153  9003.68  184.109  9081.53  234.797  8879.41  296.657   96.672   1.2512   95.554   1.5993 1.118210 2.030611 
1 1 1   -1   34   19 o   46.489   0.8193  2093.82   73.028  2059.98   95.676  2141.06  113.034   46.045   1.0704   46.934   1.2407 -0.8888550 1.638624 
1 1 1   -1   34   20 o   31.464   1.0350  961.551   63.151  905.437   87.542  1022.43   91.186   30.508   1.4782   32.421   1.4489 -1.912630 2.069902 
1 1 1   -1   34   21 o   35.484   0.9673  1225.68   66.243  1234.25   89.182  1215.13   98.940   35.626   1.2896   35.341   1.4422 0.2852707 1.934659 
1 1 1   -1   34   22 o   26.255   1.2938  669.476   65.563  648.608   87.576  696.085   98.892   25.797   1.7489   26.714   1.9071 -0.9169044 2.587538 
1 1 1   -1   34   23 o   44.116   0.9084  1882.99   76.851  1821.46  100.397  1970.07  119.433   43.260   1.1955   44.971   1.3681 -1.710907 1.816881 
1 1 1   -1   34   24 o   19.849   1.6758  381.881   63.841  310.521   85.182  473.332   96.430   17.753   2.4717   21.945   2.2637 -4.191784 3.351663 
1 1 1   -1   34   25 o   28.101   1.2225  765.604   66.217  651.574   89.092  906.337   98.976   25.780   1.7803   30.422   1.6760 -4.642370 2.445079 
1 1 1   -1   34   26 f   28.027   1.2067  777.067   65.205  844.347   90.025  702.821   94.571   29.336   1.5809   26.718   1.8234 2.618544 2.413311 
1 1 1   -1   34   27 o   33.277   1.1063  1090.15   71.456  1106.02  101.978  1074.85  100.154   33.514   1.5675   33.040   1.5616 0.4737740 2.212612 
1 1 1   -1   34   28 o   29.598   1.2407  868.609   71.241  880.296   99.520  856.325  102.026   29.814   1.7196   29.381   1.7889 0.4328136 2.481322 
1 1 1   -1   34   29 o   11.117   2.7199  128.204   71.361  107.662   95.874  153.723  106.858   10.377   3.7323   11.857   3.9574 -1.479058 5.439791 
1 1 1   -1   34   30 o   21.762   2.1928  525.299   85.926  442.989  135.552  580.590  111.099   19.793   3.6629   23.732   2.4116 -3.938967 4.385540 
1 1 1   -1   35    1 o  113.612   1.7167 13047.69  273.904 13287.26  299.393 11817.67  678.380  116.985   1.3184  110.239   3.1701 6.745293 3.433312 
1 1 1   -1   35    2 o   9.5414   3.2349  -4.9033   46.239  -2.1230   46.730 -135.1068  319.792   5.6387   2.4092   13.444   6.0046 -7.805437 6.469860 
1 1 1   -1   35    3 o   93.672   0.9383  8561.09  163.604  8668.81  204.884  8371.53  271.784   94.494   1.1170   92.850   1.5079 1.644348 1.876540 
1 1 1   -1   35    4 o   58.997   0.7053  3355.98   77.326  3300.97   95.946  3457.93  130.617   58.313   0.8476   59.680   1.1275 -1.366566 1.410544 
1 1 1   -1   35    5 o  147.597   1.2628 21250.59  352.039 21562.82  450.506 20760.91  564.172  149.009   1.5575  146.185   1.9881 2.823242 2.525546 
1 1 1   -1   35    6 o  120.258   1.1225 14079.80  253.638 14184.57  321.296 13906.51  413.193  120.863   1.3695  119.654   1.7789 1.209007 2.244997 
1 1 1   -1   35    7 f   44.018   0.7470  1880.99   63.829  1863.35   89.953  1898.88   90.588   43.810   1.0577   44.226   1.0552 -0.4157104 1.494063 
1 1 1   -1   35    8 o  200.373   1.6124 39013.20  627.028 38753.15  876.144 39286.23  897.755  199.691   2.2602  201.055   2.3003 -1.364166 3.224879 
1 1 1   -1   35    9 o   37.361   0.8258  1356.34   59.848  1305.76   85.071  1405.91   84.212   36.671   1.1951   38.052   1.1401 -1.381008 1.651653 
1 1 1   -1   35   10 o   92.640   1.0689  8336.07  192.204  8376.34  274.183  8297.16  269.513   92.860   1.5211   92.421   1.5023 0.4390182 2.137856 
1 1 1   -1   35   11 o  115.073   1.2285 12876.43  274.242 13215.44  384.696 12526.12  391.057  116.617   1.6994  113.529   1.7745 3.088280 2.456961 
1 1 1   -1   35   12 o   17.670   1.3440  303.021   46.060  315.732   66.871  291.547   63.533   18.021   1.9115   17.318   1.8899 0.7036438 2.688089 
1 1 1   -1   35   13 o   80.377   0.9806  6275.93  152.933  6289.87  219.638  6262.81  213.072   80.462   1.4062   80.291   1.3671 0.1711349 1.961203 
1 1 1   -1   35   14 o   36.387   0.7774  1274.59   54.056  1224.81   69.917  1348.58   85.230   35.514   1.0142   37.261   1.1784 -1.747456 1.554704 
1 1 1   -1   35   15 o   54.259   0.7534  2877.49   77.247  2941.34   99.124  2778.74  123.266   55.035   0.9278   53.483   1.1873 1.551846 1.506840 
1 1 1   -1   35   16 o  103.966   1.0628 10508.56  207.419 10514.67  261.925 10498.28  339.669  104.026   1.2971  103.906   1.6840 0.1201324 2.125655 
1 1 1   -1   35   17 o  130.376   1.2583 16584.50  311.340 16773.22  401.485 16299.82  493.105  131.341   1.5747  129.410   1.9629 1.931076 2.516523 
1 1 1   -1   35   18 o   80.281   0.9084  6277.36  137.988  6324.43  176.775  6203.94  220.764   80.679   1.1287   79.882   1.4237 0.7973251 1.816849 
1 1 1   -1   35   19 o   46.664   0.8419  2121.78   75.456  2156.09  100.158  2076.75  114.745   47.106   1.0953   46.222   1.2789 0.8841820 1.683814 
1 1 1   -1   35   20 o   72.210   0.8930  5095.04  122.256  5190.71  157.653  4950.71  193.633   73.079   1.1113   71.340   1.3982 1.738518 1.786086 
1 1 1   -1   35   21 o   85.499   0.9957  7161.55  160.005  7316.29  203.561  6911.38  258.826   86.743   1.2089   84.255   1.5825 2.488579 1.991433 
1 1 1   -1   35   22 o   35.461   1.0080  1220.90   69.225  1176.62   94.097  1273.13  102.202   34.765   1.3943   36.158   1.4561 -1.392712 2.016037 
1 1 1   -1   35   23 o   28.707   1.2359  803.149   68.387  789.425   91.106  820.862  103.503   28.437   1.6504   28.977   1.8400 -0.5404072 2.471775 
1 1 1   -1   35   24 o   28.405   1.2730  780.309   69.754  690.117   92.917  896.771  105.586   26.547   1.8031   30.262   1.7974 -3.715630 2.545919 
1 1 1   -1   35   25 o   21.577   1.6702  481.058   66.072  637.106   91.572  311.591   95.428   25.470   1.8521   17.683   2.7800 7.787085 3.340486 
1 1 1   -1   35   26 o   9.3322   2.3272   54.549   61.806  148.508   85.536 -48.1080   89.407   11.884   3.4829   6.7802   3.0874 5.103937 4.654350 
1 1 1   -1   35   27 o   14.406   2.3704  222.399   65.396  182.059   90.499  266.482   94.605   12.978   3.5084   15.833   3.1884 -2.854677 4.740740 
1 1 1   -1   35   28 o   33.193   1.1832  1091.57   76.228  1071.49  106.906  1112.34  108.721   32.882   1.6749   33.504   1.6717 -0.6221275 2.366376 
1 1 1   -1   35   29 o   15.397   2.4590  265.078   71.777  286.478   98.694  241.050  104.577   16.186   3.2540   14.607   3.6876 1.578149 4.918016 
1 1 1   -1   35   30 o   10.765   2.8105   97.690   80.925  210.011  128.165   23.221  104.358   13.188   4.3308   8.3422   3.5833 4.845574 5.621045 
1 1 1   -1   36    1 o  151.862   1.7390 22460.56  419.465 22494.47  472.919 22335.46  908.266  152.192   1.6008  151.532   3.0878 0.6603088 3.478039 
1 1 1   -1   36    2 o   57.316   2.3732  3686.98  101.896  3734.25  104.308  2700.06  476.584   62.022   0.8664   52.610   4.6667 9.412006 4.746397 
1 1 1   -1   36    3 o   84.702   0.8815  6957.95  138.738  6938.20  172.679  6993.92  233.023   84.537   1.0523   84.867   1.4145 -0.3298187 1.762947 
1 1 1   -1   36    4 o   41.889   0.6684  1725.59   51.735  1778.96   64.537  1629.62   86.539   42.809   0.7766   40.970   1.0881 1.839100 1.336851 
1 1 1   -1   36    5 o  135.892   1.1853 17973.38  303.908 18098.95  387.417 17772.48  490.019  136.521   1.4619  135.262   1.8663 1.258484 2.370657 
1 1 1   -1   36    6 o   82.790   0.8551  6646.63  131.630  6626.26  163.942  6683.59  220.815   82.616   1.0223   82.964   1.3711 -0.3483582 1.710253 
1 1 1   -1   36    7 o   91.904   1.0763  8202.83  192.013  8185.29  271.128  8220.48  271.970   91.806   1.5214   92.003   1.5228 -0.1970749 2.152597 
1 1 1   -1   36    8 o   71.227   0.9203  4924.34  127.213  4788.87  177.840  5066.29  182.046   70.224   1.3046   72.230   1.2984 -2.005638 1.840586 
1 1 1   -1   36    9 o  163.446   1.4836 25969.38  470.673 26409.72  667.679 25534.40  663.605  164.824   2.0868  162.067   2.1094 2.757263 2.967173 
1 1 1   -1   36   10 o   85.771   1.0153  7145.19  169.009  7094.19  236.311  7198.61  241.812   85.458   1.4245   86.083   1.4471 -0.6254959 2.030593 
1 1 1   -1   36   11 o   8.6855   2.0998   48.799   47.767  119.683   70.010 -12.9383   65.337   10.954   3.1340   6.4166   2.7955 4.537834 4.199617 
1 1 1   -1   36   12 o   50.024   0.8024  2418.92   77.731  2627.07  114.539  2241.22  105.832   52.009   1.1345   48.038   1.1349 3.971027 1.604725 
1 1 1   -1   36   13 o   12.417   1.9997  154.082   49.725  224.827   70.971   85.871   69.689   15.197   2.4058   9.6364   3.1949 5.560880 3.999396 
1 1 1   -1   36   14 o   99.882   1.0031  9708.75  187.916  9749.38  237.212  9640.28  307.917  100.179   1.2198   99.585   1.5929 0.5937271 2.006275 
1 1 1   -1   36   15 o   95.413   0.9959  8893.36  179.234  9049.22  229.016  8646.99  287.929   96.512   1.2224   94.314   1.5727 2.198471 1.991896 
1 1 1   -1   36   16 o   61.536   0.7849  3667.22   91.025  3632.07  115.349  3725.24  148.192   61.153   0.9717   61.920   1.2329 -0.7669868 1.569788 
1 1 1   -1   36   17 o   19.494   1.4581  366.337   54.853  336.749   72.925  404.889   83.242   18.597   2.0200   20.390   2.1031 -1.792233 2.916109 
1 1 1   -1   36   18 o   34.040   0.9277  1119.85   60.940  1069.55   81.189  1184.75   92.228   33.171   1.2609   34.908   1.3610 -1.736507 1.855330 
1 1 1   -1   36   19 o  128.577   1.3409 16066.37  322.888 15959.54  405.725 16250.90  533.238  128.056   1.6322  129.097   2.1278 -1.040756 2.681738 
1 1 1   -1   36   20 o   50.385   0.8618  2468.40   82.672  2469.76  106.975  2466.37  130.268   50.410   1.0932   50.359   1.3326 0.5097580E-01 1.723614 
1 1 1   -1   36   21 o   27.370   1.2043  729.230   63.752  722.370   86.377  737.438   94.485   27.233   1.6339   27.507   1.7695 -0.2741661 2.408509 
1 1 1   -1   36   22 o   41.575   0.9420  1672.80   75.621  1590.22  100.907  1778.58  114.212   40.417   1.2862   42.734   1.3768 -2.317291 1.884094 
1 1 1   -1   36   23 o   14.107   2.4114  207.146   65.138  218.447   87.425  193.043   97.662   14.561   3.1819   13.654   3.6243 0.9074163 4.822862 
1 1 1   -1   36   24 o   36.615   1.0264  1318.03   72.163  1375.74   96.551  1245.00  108.621   37.549   1.3246   35.682   1.5682 1.866669 2.052769 
1 1 1   -1   36   25 o   34.334   1.0368  1153.22   68.976  1146.12   94.614  1161.27  100.770   34.230   1.4239   34.439   1.5073 -0.2093964 2.073559 
1 1 1   -1   36   26 o   45.964   0.9245  2072.27   82.260  2113.22  112.905  2025.95  120.093   46.466   1.2517   45.462   1.3608 1.004139 1.848983 
1 1 1   -1   36   27 o   10.917   2.6127  119.108   67.026  151.834   94.690   86.243   94.888   11.932   3.7021   9.9012   3.6878 2.031013 5.225462 
1 1 1   -1   36   28 o   13.340   2.5382  197.387   68.831  251.038   97.293  143.630   97.389   15.138   3.3946   11.542   3.7745 3.596199 5.076422 
1 1 1   -1   36   29 o   33.065   1.2582  1093.08   80.707  1070.81  111.784  1117.33  116.644   32.724   1.7597   33.405   1.7988 -0.6812820 2.516417 
1 1 1   -1   36   30 o   12.676   2.9091  194.407   83.927  146.502  127.829  230.703  111.267   11.463   4.2782   13.889   3.9431 -2.426224 5.818184 
1 1 1   -1   37    1 o  122.856   1.7552 14505.13  298.409 14435.23  323.188 14909.21  777.077  121.926   1.3655  123.785   3.2339 -1.858490 3.510406 
1 1 1   -1   37    2 o   47.622   2.3272  2069.83   72.153  2061.78   73.156  2357.12  437.232   46.086   0.8177   49.158   4.5820 -3.071671 4.654395 
1 1 1   -1   37    3 o   99.222   1.8139  9998.57  225.167 10137.53  240.605  9018.79  638.895  102.182   1.2130   96.263   3.4190 5.918770 3.627850 
1 1 1   -1   37    4 o  143.827   1.2550 20137.15  339.493 20274.37  430.616 19911.80  551.861  144.489   1.5353  143.164   1.9858 1.324753 2.510064 
1 1 1   -1   37    5 f   51.861   0.8063  2610.44   81.150  2569.42  113.354  2653.56  116.228   51.443   1.1351   52.279   1.1453 -0.8354340 1.612517 
1 1 1   -1   37    6 o   94.529   0.9818  8705.29  172.334  8773.65  214.882  8582.06  288.505   95.059   1.1645   94.000   1.5811 1.058464 1.963662 
1 1 1   -1   37    7 o  105.271   1.1700 10763.51  239.018 10686.53  333.651 10844.66  342.570  104.885   1.6387  105.657   1.6703 -0.7713699 2.339934 
1 1 1   -1   37    8 o  185.522   1.5573 33426.58  560.301 32616.66  772.265 34326.78  814.164  183.157   2.1721  187.888   2.2323 -4.730988 3.114653 
1 1 1   -1   37    9 o  226.953   1.6949 50090.32  746.243 49541.04  1034.88 50685.31  1077.08  225.665   2.3624  228.241   2.4310 -2.575760 3.389838 
1 1 1   -1   37   10 o   83.931   1.0017  6842.60  163.166  6814.44  228.395  6871.95  233.183   83.755   1.4048   84.107   1.4282 -0.3514633 2.003323 
1 1 1   -1   37   11 o  116.162   1.2767 13118.29  287.862 13304.81  406.896 12931.40  407.301  116.991   1.7917  115.334   1.8192 1.656158 2.553404 
1 1 1   -1   37   12 o   58.732   0.8399  3350.93   95.735  3397.13  134.823  3303.95  135.965   59.141   1.1744   58.324   1.2009 0.8176422 1.679704 
1 1 1   -1   37   13 f   59.565   0.8465  3446.52   97.858  3447.21  139.641  3445.85  137.175   59.570   1.2076   59.559   1.1865 0.1080704E-01 1.692930 
1 1 1   -1   37   14 f   21.565   1.1147  446.420   45.812  424.137   58.769  480.933   73.139   20.891   1.4492   22.240   1.6941 -1.349503 2.229407 
1 1 1   -1   37   15 o   10.414   2.0424   95.427   46.379   34.835   60.901  179.089   71.561   7.5315   2.9187   13.296   2.8578 -5.764121 4.084768 
1 1 1   -1   37   16 o   64.676   0.8027  4094.09   98.333  4209.83  126.940  3920.44  155.493   65.835   0.9933   63.518   1.2611 2.317219 1.605304 
1 1 1   -1   37   17 o  117.203   1.1633 13371.38  257.807 13399.29  329.467 13327.29  414.044  117.392   1.4458  117.015   1.8228 0.3769226 2.326575 
1 1 1   -1   37   18 o   28.803   1.1087  806.609   61.654  802.784   82.907  811.343   92.219   28.730   1.4866   28.876   1.6452 -0.1461563 2.217323 
1 1 1   -1   37   19 o   44.647   0.8595  1947.62   73.964  2034.25  100.225  1844.03  109.604   45.748   1.1286   43.546   1.2966 2.201496 1.718994 
1 1 1   -1   37   20 o   34.243   1.0037  1144.95   66.071  1172.09   88.142  1110.13   99.823   34.715   1.3080   33.772   1.5227 0.9424667 2.007327 
1 1 1   -1   37   21 o   15.672   2.1218  254.434   62.183  340.121   86.895  164.494   89.025   18.640   2.4016   12.705   3.4986 5.934512 4.243556 
1 1 1   -1   37   22 o   30.422   1.1688  902.849   68.786  897.812   93.370  908.827  101.720   30.336   1.5856   30.508   1.7177 -0.1718864 2.337610 
1 1 1   -1   37   23 o   31.356   1.1095  959.015   67.350  942.714   91.624  978.176   99.338   31.073   1.5190   31.639   1.6174 -0.5664597 2.218906 
1 1 1   -1   37   24 o   46.291   0.8977  2088.15   80.020  2070.21  106.442  2111.47  121.349   46.077   1.1900   46.505   1.3442 -0.4273376 1.795313 
1 1 1   -1   37   25 o   22.505   2.0338  500.680   88.849  500.680   88.849   0.0000   0.0000   22.505   2.0338  ?   ?       ?      ? 
1 1 1   -1   37   26 o   19.109   1.7626  367.937   65.193  334.707   91.661  401.954   92.742   18.207   2.5935   20.011   2.3875 -1.804594 3.525107 
1 1 1   -1   37   27 o   22.218   1.6328  497.220   70.345  517.789   98.826  476.095  100.152   22.707   2.2420   21.730   2.3743 0.9775600 3.265609 
1 1 1   -1   37   28 o   11.245   2.5660  114.816   72.653   10.844   99.509  233.518  106.324   8.0986   3.4891   14.390   3.7634 -6.291887 5.131961 
1 1 1   -1   37   29 o   14.227   2.8375  241.061   84.122  177.759  124.009  295.019  114.492   12.424   4.2625   16.030   3.7466 -3.605943 5.675002 
1 1 1   -1   38    1 o   79.624   1.8795  6225.12  150.433  6235.54  156.256  6093.07  556.252   80.143   1.0044   79.105   3.6224 1.037605 3.759099 
1 1 1   -1   38    2 o  155.609   1.7619 23602.75  441.922 23654.30  501.151 23422.51  937.081  156.059   1.6543  155.160   3.1112 0.8999634 3.523706 
1 1 1   -1   38    3 o   81.120   2.0792  6921.99  170.070  7018.27  177.289  5811.31  602.142   85.022   1.0742   77.217   4.0172 7.804932 4.158302 
1 1 1   -1   38    4 o  112.193   1.0910 12310.64  231.469 12621.31  297.650 11835.31  368.174  114.006   1.3450  110.381   1.7183 3.624329 2.182070 
1 1 1   -1   38    5 o  112.916   1.0767 12433.70  226.868 12567.96  284.863 12200.85  375.138  113.764   1.2899  112.068   1.7244 1.696037 2.153497 
1 1 1   -1   38    6 o  185.355   1.4320 33375.26  503.006 33311.95  644.674 33473.78  804.208  185.158   1.7936  185.551   2.2327 -0.3930511 2.863954 
1 1 1   -1   38    7 o  162.941   1.4864 25826.41  469.867 26331.33  657.593 25299.74  671.613  164.575   2.0584  161.308   2.1449 3.267319 2.972779 
1 1 1   -1   38    8 o   60.244   0.8385  3523.03   98.032  3450.45  136.826  3599.60  140.525   59.606   1.1825   60.881   1.1891 -1.274502 1.676978 
1 1 1   -1   38    9 o  115.835   1.2463 13039.78  280.228 13237.43  398.109 12845.68  394.520  116.706   1.7573  114.965   1.7678 1.740829 2.492644 
1 1 1   -1   38   10 o  105.529   1.1806 10823.55  241.833 10857.12  340.918 10789.56  343.101  105.695   1.6616  105.364   1.6775 0.3307037 2.361150 
1 1 1   -1   38   11 o  100.891   1.1489  9895.23  224.937 10039.91  315.731  9746.11  320.542  101.642   1.6002  100.140   1.6490 1.502113 2.297772 
1 1 1   -1   38   12 o   30.126   0.9565  884.026   55.795  927.984   77.536  836.820   80.350   30.906   1.2924   29.346   1.4105 1.560007 1.913048 
1 1 1   -1   38   13 o   68.463   0.9185  4546.85  121.958  4723.97  177.121  4387.17  168.175   69.728   1.3086   67.198   1.2893 2.530571 1.836998 
1 1 1   -1   38   14 o   50.016   0.8329  2430.43   80.837  2346.92  113.950  2515.04  114.695   49.151   1.1943   50.882   1.1612 -1.731304 1.665774 
1 1 1   -1   38   15 o   34.996   0.8505  1199.69   56.932  1254.80   75.421  1126.69   86.800   35.941   1.0810   34.050   1.3132 1.890789 1.700927 
1 1 1   -1   38   16 o   43.985   0.7685  1856.79   64.364  1769.50   82.452  1992.97  102.983   42.681   0.9952   45.290   1.1714 -2.608196 1.537048 
1 1 1   -1   38   17 o   31.402   0.9687  967.292   58.332  1024.80   78.131  894.876   87.678   32.471   1.2396   30.333   1.4891 2.137630 1.937480 
1 1 1   -1   38   18 o   84.197   0.9677  6931.67  153.278  7051.34  195.059  6738.48  247.833   85.173   1.1798   83.221   1.5341 1.952492 1.935304 
1 1 1   -1   38   19 o   33.830   0.9924  1113.85   65.139  1141.67   91.496  1085.25   92.758   34.260   1.3758   33.400   1.4307 0.8602295 1.984830 
1 1 1   -1   38   20 o   22.308   1.3916  485.318   60.225  462.782   84.396  508.702   85.969   21.779   1.9963   22.837   1.9392 -1.058308 2.783103 
1 1 1   -1   38   21 o   16.821   1.9362  282.951   61.481  249.113   86.497  317.502   87.405   15.655   2.9547   17.988   2.5031 -2.333480 3.872472 
1 1 1   -1   38   22 o   21.918   1.6019  501.549   63.624  652.366   86.027  319.453   94.528   25.840   1.7150   17.995   2.7062 7.845661 3.203842 
1 1 1   -1   38   23 o   17.163   1.9703  299.597   63.150  319.732   84.558  274.203   94.961   17.997   2.4204   16.328   3.1096 1.668997 3.940525 
1 1 1   -1   38   24 o   18.664   1.7763  346.065   63.958  396.428   91.750  298.457   89.204   20.010   2.3621   17.318   2.6536 2.692383 3.552564 
1 1 1   -1   38   25 o   19.996   1.6373  398.461   63.541  403.321   90.953  393.827   88.806   20.112   2.3297   19.880   2.3012 0.2316971 3.274588 
1 1 1   -1   38   26 o   7.2254   2.2472 -37.7078   64.770   35.875   91.789 -110.6848   91.410   8.5047   3.4851   5.9461   2.8378 2.558589 4.494341 
1 1 1   -1   38   27 f   23.158   1.5521  536.311   69.560  487.497   94.496  594.045  102.769   22.008   2.2119   24.307   2.1780 -2.299484 3.104241 
1 1 1   -1   38   28 o   13.296   2.5510  191.588   71.684  105.138   97.274  294.336  106.047   10.291   3.7509   16.300   3.4586 -6.008924 5.102080 
1 1 1   -1   38   29 o   8.5278   2.6666   3.6637   84.735   12.778  137.005  -1.9824  107.832   9.0627   3.9951   7.9928   3.5328 1.069918 5.333115 
1 1 1   -1   39    1 o  104.098   1.8100 10263.84  224.695 10192.29  237.188 10889.88  701.592  102.454   1.1926  105.743   3.4180 -3.288887 3.620071 
1 1 1   -1   39    2 o   62.718   2.0561  3781.87  104.932  3777.26  107.408  3878.44  491.526   62.376   0.8871   63.060   4.0154 -0.6839027 4.112192 
1 1 1   -1   39    3 o   45.500   2.5706  1830.05   67.057  1821.85   67.751  2224.77  469.974   43.320   0.8057   47.680   5.0778 -4.359375 5.141295 
1 1 1   -1   39    4 o  115.276   1.0896 12894.49  234.697 12857.40  294.193 12959.43  389.236  115.061   1.3172  115.491   1.7362 -0.4301834 2.179282 
1 1 1   -1   39    5 f   61.858   0.7540  3717.22   86.152  3721.14  106.578  3709.82  146.339   61.909   0.8868   61.807   1.2197 0.1023979 1.508039 
1 1 1   -1   39    6 o  127.977   1.1591 15955.02  278.080 16075.36  351.116 15752.53  455.471  128.644   1.4060  127.309   1.8430 1.334778 2.318134 
1 1 1   -1   39    7 o   98.744   0.9939  9512.90  182.542  9618.17  228.271  9326.17  304.017   99.518   1.1816   97.971   1.5986 1.546341 1.987896 
1 1 1   -1   39    8 o   93.798   1.1267  8536.68  204.877  8777.95  298.894  8322.86  281.379   95.045   1.6200   92.552   1.5662 2.493103 2.253321 
1 1 1   -1   39    9 o  132.821   1.3791 17156.58  355.507 16915.31  504.655 17394.27  500.892  131.891   1.9711  133.751   1.9292 -1.859512 2.758120 
1 1 1   -1   39   10 o  122.787   1.3226 14650.51  314.999 14471.81  435.623 14846.34  456.028  122.007   1.8393  123.568   1.9012 -1.561676 2.645293 
1 1 1   -1   39   11 o   18.235   1.4424  326.200   50.626  355.526   69.458  292.963   73.944   19.120   1.8714   17.350   2.1955 1.770075 2.884854 
1 1 1   -1   39   12 o   87.164   1.0639  7382.25  179.980  7251.30  251.997  7518.61  257.140   86.376   1.5029   87.953   1.5061 -1.577370 2.127707 
1 1 1   -1   39   13 o   82.238   1.0166  6574.21  162.258  6681.87  228.408  6464.52  230.541   82.919   1.4190   81.556   1.4562 1.362503 2.033278 
1 1 1   -1   39   14 o   54.880   0.8598  2926.31   91.589  2907.94  129.912  2944.47  129.144   54.708   1.2233   55.051   1.2085 -0.3432693 1.719563 
1 1 1   -1   39   15 o   47.935   0.7553  2198.91   68.975  2070.72   88.299  2399.58  110.476   46.173   0.9852   49.697   1.1452 -3.524902 1.510606 
1 1 1   -1   39   16 o   23.761   1.1578  543.234   52.701  514.412   68.421  585.276   82.635   22.998   1.5326   24.523   1.7359 -1.525734 2.315649 
1 1 1   -1   39   17 o   75.227   0.8933  5517.11  127.146  5574.83  162.995  5427.40  203.202   75.744   1.1086   74.711   1.4011 1.033707 1.786645 
1 1 1   -1   39   18 o   34.652   0.9399  1167.76   63.178  1167.41   87.659  1168.14   91.136   34.648   1.3033   34.656   1.3547 -0.8190155E-02 1.879866 
1 1 1   -1   39   19 o   38.768   0.9391  1461.48   70.459  1456.76   95.942  1467.00  103.812   38.703   1.2770   38.833   1.3772 -0.1294327 1.878127 
1 1 1   -1   39   20 o   24.770   1.2594  599.352   60.433  620.080   83.822  576.915   87.209   25.221   1.7121   24.319   1.8474 0.9023056 2.518725 
1 1 1   -1   39   21 o   14.541   2.1611  211.934   60.321  160.117   82.524  271.380   88.392   12.487   3.3396   16.595   2.7439 -4.108058 4.322240 
1 1 1   -1   39   22 o   30.916   1.1215  945.628   66.414  1049.20   90.461  824.523   97.816   32.796   1.4210   29.037   1.7354 3.758739 2.242917 
1 1 1   -1   39   23 o   8.4778   2.4311   33.512   62.408   41.398   85.851   24.676   90.881   8.5938   3.4242   8.3617   3.4519 0.2321196 4.862167 
1 1 1   -1   39   24 o   33.620   1.0727  1104.71   69.727  974.136   96.173  1249.41  101.240   31.519   1.5719   35.721   1.4600 -4.201576 2.145334 
1 1 1   -1   39   25 o   10.990   2.5258  121.862   62.990  156.914   89.270   87.105   88.894   12.141   3.5581   9.8394   3.5858 2.302034 5.051529 
1 1 1   -1   39   26 o   10.113   2.5157   86.911   65.619   22.351   91.212  156.168   94.471   8.1593   3.4203   12.067   3.6902 -3.907567 5.031500 
1 1 1   -1   39   27 o   27.400   1.3983  750.969   74.234  689.276  103.058  817.500  107.021   26.212   2.0254   28.589   1.9284 -2.377651 2.796649 
1 1 1   -1   39   28 o   7.7108   2.4114 -25.4224   73.243 -83.8046  100.795   39.892  106.612   6.5761   3.0909   8.8455   3.7022 -2.269470 4.822796 
1 1 1   -1   39   29 o   9.0693   2.7153   27.073   85.144  106.470  126.455 -38.7744  115.160   10.523   4.1675   7.6158   3.4819 2.907012 5.430584 
1 1 1   -1   40    1 o   68.556   2.3679  4966.44  128.253  5006.06  131.413  4172.29  588.364   71.806   0.9428   65.307   4.6411 6.498787 4.735891 
1 1 1   -1   40    2 o   25.232   3.7838  666.257   51.189  667.747   51.639  581.746  388.876   26.224   1.0144   24.239   7.4994 1.984943 7.567696 
1 1 1   -1   40    3 o   76.605   2.1517  6272.58  156.511  6362.43  162.411  5102.77  585.995   80.947   1.0336   72.262   4.1775 8.685455 4.303482 
1 1 1   -1   40    4 o  147.609   1.2975 21178.13  359.875 21182.70  455.095 21170.51  587.924  147.656   1.5878  147.563   2.0525 0.9317017E-01 2.594931 
1 1 1   -1   40    5 o   9.6941   1.8206   94.815   41.176  160.801   53.946   2.7174   63.732   12.666   2.2779   6.7227   2.8406 5.942969 3.641155 
1 1 1   -1   40    6 o   74.201   0.8348  5338.59  114.688  5319.00  142.115  5375.15  194.209   74.013   0.9892   74.389   1.3449 -0.3763351 1.669505 
1 1 1   -1   40    7 o   35.310   0.7291  1185.28   48.124  1121.78   59.710  1303.00   81.296   33.990   0.9050   36.629   1.1434 -2.638626 1.458149 
1 1 1   -1   40    8 o  115.814   1.2830 13039.05  288.443 13006.10  406.625 13072.42  409.228  115.667   1.8110  115.961   1.8180 -0.2938232 2.566085 
1 1 1   -1   40    9 o  139.297   1.4116 18871.59  381.638 18985.70  536.049 18754.29  543.464  139.727   1.9763  138.867   2.0161 0.8595734 2.823202 
1 1 1   -1   40   10 o   47.322   0.8158  2175.49   74.890  2281.29  106.386  2071.56  105.440   48.464   1.1308   46.181   1.1762 2.282780 1.631635 
1 1 1   -1   40   11 o   68.431   0.9243  4550.20  122.770  4595.01  173.024  4504.76  174.229   68.771   1.2961   68.091   1.3182 0.6798859 1.848618 
1 1 1   -1   40   12 o   58.357   0.8580  3308.41   97.193  3317.90  138.057  3299.10  136.853   58.440   1.2170   58.275   1.2098 0.1654854 1.715990 
1 1 1   -1   40   13 o   34.568   0.9100  1160.69   61.049  1191.55   87.201  1131.03   85.497   35.019   1.2828   34.117   1.2909 0.9012032 1.819921 
1 1 1   -1   40   14 o   69.862   0.9462  4733.38  128.159  4944.69  187.042  4546.38  175.954   71.328   1.3509   68.397   1.3253 2.931480 1.892398 
1 1 1   -1   40   15 o   28.720   0.9996  810.134   54.711  850.638   71.953  754.619   84.237   29.585   1.2529   27.855   1.5579 1.729631 1.999156 
1 1 1   -1   40   16 o   64.789   0.8269  4101.82  100.966  4176.30  128.868  3983.43  162.479   65.565   1.0125   64.013   1.3076 1.552238 1.653774 
1 1 1   -1   40   17 o   57.674   0.8294  3239.20   90.951  3263.01  117.575  3203.73  143.519   57.947   1.0452   57.401   1.2880 0.5464897 1.658778 
1 1 1   -1   40   18 o   30.635   1.0377  917.687   61.401  995.108   85.353  834.649   88.395   31.986   1.3747   29.285   1.5550 2.700817 2.075485 
1 1 1   -1   40   19 o   22.601   1.3874  498.797   60.671  449.089   85.170  550.008   86.448   21.451   2.0453   23.750   1.8751 -2.298609 2.774795 
1 1 1   -1   40   20 o   32.916   1.0754  1058.33   68.532  1133.37   96.193  980.988   97.661   34.109   1.4528   31.722   1.5860 2.386866 2.150800 
1 1 1   -1   40   21 o   24.503   1.3256  584.271   62.871  548.009   85.087  627.877   93.307   23.672   1.8517   25.333   1.8974 -1.661572 2.651185 
1 1 1   -1   40   22 o   55.031   0.9009  2979.51   94.659  3119.55  124.911  2790.61  145.076   56.589   1.1371   53.473   1.3977 3.116482 1.801793 
1 1 1   -1   40   23 o   32.273   1.0526  1018.97   65.758  1022.38   89.784  1015.02   96.580   32.341   1.4302   32.205   1.5449 0.1356659 2.105239 
1 1 1   -1   40   24 o   30.001   1.1352  880.985   65.929  795.528   90.428  977.953   96.326   28.446   1.6376   31.555   1.5726 -3.109011 2.270424 
1 1 1   -1   40   25 o   28.207   1.2439  787.522   67.964  795.612   93.438  778.432   99.039   28.379   1.6961   28.034   1.8199 0.3451557 2.487754 
1 1 1   -1   40   26 o   19.620   1.7622  392.987   66.480  444.825   92.974  338.753   95.097   21.022   2.2783   18.218   2.6891 2.804344 3.524478 
1 1 1   -1   40   27 o   13.222   2.4829  195.892   71.312  297.111   98.725   85.465  103.118   16.555   3.1877   9.8890   3.8075 6.666129 4.965723 
1 1 1   -1   40   28 o   19.030   2.4181  399.037   85.664  401.954  134.123  397.028  111.330   18.720   3.8202   19.340   2.9654 -0.6200352 4.836113 
1 1 1   -1   41    1 o   63.758   2.5076  4271.46  114.285  4296.28  116.537  3647.96  584.119   66.520   0.9025   60.996   4.9333 5.524151 5.015123 
1 1 1   -1   41    2 o  114.656   1.9241 12959.05  278.248 13010.38  296.942 12589.49  796.796  115.736   1.3217  113.577   3.6140 2.158470 3.848130 
1 1 1   -1   41    3 o  145.579   1.9054 21045.24  437.711 21351.90  494.044 19925.89  943.888  148.227   1.7170  142.930   3.4020 5.297195 3.810717 
1 1 1   -1   41    4 f  146.761   1.3006 20987.17  359.387 21149.95  456.743 20722.56  582.338  147.536   1.5948  145.985   2.0549 1.551163 2.601197 
1 1 1   -1   41    5 o   98.362   1.0039  9340.93  182.618  9211.14  225.428  9588.71  311.478   97.387   1.1925   99.336   1.6153 -1.949440 2.007771 
1 1 1   -1   41    6 o   96.692   0.9921  9097.12  178.393  9132.79  222.633  9033.12  298.176   96.970   1.1827   96.414   1.5932 0.5567627 1.984215 
1 1 1   -1   41    7 o   28.716   0.8759  812.658   46.115  838.222   57.062  764.529   78.297   29.380   1.0005   28.052   1.4379 1.328541 1.751721 
1 1 1   -1   41    8 o   97.644   1.1209  9265.72  212.411  9275.72  297.574  9255.34  303.295   97.699   1.5691   97.589   1.6010 0.1098328 2.241711 
1 1 1   -1   41    9 f   65.993   0.8842  4228.00  113.046  4188.42  154.742  4273.29  165.547   65.664   1.2140   66.322   1.2859 -0.6585846 1.768406 
1 1 1   -1   41   10 o   56.241   0.8456  3073.73   92.243  3099.33  128.232  3046.26  132.790   56.485   1.1695   55.998   1.2216 0.4878502 1.691164 
1 1 1   -1   41   11 f   79.719   1.0019  6173.97  154.997  6253.75  222.433  6098.67  216.103   80.219   1.4284   79.219   1.4053 0.9992676 2.003804 
1 1 1   -1   41   12 o   69.592   0.9260  4705.87  125.093  4689.24  176.529  4722.65  177.289   69.468   1.3091   69.715   1.3101 -0.2469711 1.852007 
1 1 1   -1   41   13 o   25.322   1.1061  624.284   54.296  653.372   76.159  594.219   77.428   25.924   1.5134   24.720   1.6136 1.204147 2.212232 
1 1 1   -1   41   14 o   59.659   0.8920  3455.57  103.251  3566.47  148.947  3352.98  143.258   60.579   1.2666   58.739   1.2564 1.840473 1.784052 
1 1 1   -1   41   15 o   40.124   0.8239  1558.45   62.568  1537.65   79.792  1591.66  100.823   39.783   1.0332   40.464   1.2836 -0.6817017 1.647760 
1 1 1   -1   41   16 o   42.610   0.8431  1725.93   68.231  1591.01   86.559  1947.33  110.884   40.463   1.1020   44.757   1.2763 -4.293198 1.686219 
1 1 1   -1   41   17 o   55.572   0.8085  3028.92   85.055  3133.10  109.889  2873.25  134.332   56.784   0.9969   54.360   1.2730 2.424694 1.616925 
1 1 1   -1   41   18 o   45.666   0.8401  2014.69   73.642  1945.51   96.434  2111.47  114.064   44.737   1.1104   46.596   1.2611 -1.858757 1.680288 
1 1 1   -1   41   19 o   60.853   0.8635  3603.24   99.976  3607.05  129.198  3597.55  157.840   60.907   1.0928   60.800   1.3374 0.1074486 1.727042 
1 1 1   -1   41   20 o   11.709   2.2239  121.986   62.004  -1.8792   86.260  254.398   89.187   7.6248   3.2660   15.793   3.0193 -8.167946 4.447764 
1 1 1   -1   41   21 o   33.624   1.0433  1106.74   67.777  1145.04   92.473  1062.29   99.628   34.265   1.3903   32.984   1.5560 1.281143 2.086630 
1 1 1   -1   41   22 o   35.360   1.1562  1229.82   77.738  1192.17  121.918  1255.62  100.914   34.870   1.8011   35.850   1.4501 -0.9793930 2.312340 
1 1 1   -1   41   23 o   21.816   1.4975  468.335   63.244  446.431   85.660  494.583   93.771   21.265   2.0751   22.367   2.1597 -1.101830 2.995051 
1 1 1   -1   41   24 o   15.729   2.1055  258.571   61.892  262.681   89.404  254.790   85.766   15.837   3.0183   15.620   2.9364 0.2174006 4.211026 
1 1 1   -1   41   25 o   35.190   1.0772  1222.41   73.354  1321.44  103.206  1121.30  104.280   36.657   1.4504   33.722   1.5930 2.935299 2.154374 
1 1 1   -1   41   26 o   23.216   1.5583  544.437   69.894  560.012   95.249  526.266  102.882   23.625   2.0770   22.808   2.3237 0.8164940 3.116634 
1 1 1   -1   41   27 o   13.934   2.4571  215.912   70.148  319.696  101.111  119.603   97.402   17.165   3.1507   10.703   3.7712 6.461692 4.914104 
1 1 1   -1   41   28 o   11.581   2.8639  153.067   79.475  137.205  121.422  164.957  105.122   11.231   4.1740   11.930   3.9225 -0.6991529 5.727801 
1 1 1   -1   42    1 o   21.959   3.9421  414.756   52.195  413.133   52.618  514.443  412.344   20.623   1.3144   23.295   7.7739 -2.671785 7.884189 
1 1 1   -1   42    2 o   77.297   2.2560  5672.46  142.594  5656.98  145.949  5997.66  668.973   76.327   0.9850   78.267   4.4032 -1.939270 4.512026 
1 1 1   -1   42    3 o  129.760   1.9426 16593.88  344.360 16674.60  372.898 16126.27  897.540  131.007   1.4663  128.512   3.5979 2.494049 3.885185 
1 1 1   -1   42    4 o   27.354   0.8219  732.075   43.022  762.259   56.960  691.986   65.644   28.017   1.0473   26.691   1.2670 1.325918 1.643806 
1 1 1   -1   42    5 o   68.070   0.7958  4520.14  100.106  4566.77  124.201  4433.68  169.121   68.579   0.9330   67.560   1.2896 1.019844 1.591671 
1 1 1   -1   42    6 o   74.781   0.8338  5431.43  114.874  5431.37  141.663  5431.54  196.301   74.789   0.9758   74.774   1.3524 0.1486969E-01 1.667686 
1 1 1   -1   42    7 o   41.179   0.7459  1661.34   56.562  1694.09   70.085  1600.15   95.791   41.770   0.8644   40.588   1.2158 1.182423 1.491746 
1 1 1   -1   42    8 o  109.949   1.0854 11697.93  219.491 11589.78  269.601 11910.53  377.991  109.223   1.2716  110.676   1.7594 -1.452988 2.170801 
1 1 1   -1   42    9 o  127.559   1.3456 15831.39  333.117 16113.79  468.986 15543.83  473.241  128.711   1.8771  126.407   1.9286 2.304352 2.691276 
1 1 1   -1   42   10 o   42.302   0.8473  1735.87   69.525  1656.07   96.297  1822.77  100.483   41.288   1.2015   43.316   1.1950 -2.028343 1.694606 
1 1 1   -1   42   11 o   37.971   0.8548  1402.79   62.906  1353.04   90.535  1449.23   87.470   37.318   1.2498   38.624   1.1666 -1.306229 1.709690 
1 1 1   -1   42   12 o   72.066   0.9788  5047.62  136.890  5050.51  195.776  5044.86  191.478   72.085   1.3991   72.047   1.3691 0.3824615E-01 1.957535 
1 1 1   -1   42   13 o   40.148   0.8879  1565.21   69.035  1718.81   99.212  1421.02   96.123   42.058   1.2152   38.238   1.2950 3.819458 1.775860 
1 1 1   -1   42   14 o   77.710   1.0223  5873.36  154.160  5823.65  220.184  5921.16  215.908   77.385   1.4658   78.034   1.4253 -0.6492920 2.044517 
1 1 1   -1   42   15 o   10.290   2.2624  103.125   49.835  104.915   67.023  100.911   74.529   10.306   3.0987   10.273   3.2973 0.3338146E-01 4.524889 
1 1 1   -1   42   16 o   85.853   0.9782  7164.17  157.446  7149.28  198.323  7189.54  258.930   85.756   1.1914   85.949   1.5519 -0.1931686 1.956488 
1 1 1   -1   42   17 f   65.766   0.8628  4176.10  106.592  4092.58  134.080  4319.52  175.710   64.892   1.0644   66.639   1.3583 -1.747162 1.725683 
1 1 1   -1   42   18 o   31.233   1.0010  936.219   60.175  852.947   79.051  1050.96   92.793   29.606   1.3755   32.859   1.4548 -3.252398 2.002087 
1 1 1   -1   42   19 o   47.121   0.8672  2153.77   78.513  2112.36  103.431  2210.07  120.604   46.597   1.1435   47.646   1.3040 -1.048763 1.734339 
1 1 1   -1   42   20 o   32.650   1.0895  1042.84   68.645  1067.24   92.844  1013.42  101.953   33.083   1.4457   32.217   1.6302 0.8652420 2.178921 
1 1 1   -1   42   21 o   25.381   1.3356  630.044   65.662  609.641   89.407  653.935   96.748   24.942   1.8466   25.821   1.9302 -0.8787785 2.671266 
1 1 1   -1   42   22 o   22.775   1.4333  517.915   62.083  630.423   87.326  402.935   88.280   25.349   1.7747   20.200   2.2513 5.149033 2.866699 
1 1 1   -1   42   23 o   36.320   0.9777  1291.09   68.914  1258.50   96.070  1325.63   98.911   35.849   1.3805   36.792   1.3849 -0.9426193 1.955481 
1 1 1   -1   42   24 o   21.392   1.6045  459.836   66.337  489.262   91.821  427.709   95.943   22.147   2.1358   20.636   2.3951 1.511431 3.209036 
1 1 1   -1   42   25 o   30.206   1.1601  905.191   67.718  948.246   92.985  856.565   98.817   31.004   1.5450   29.407   1.7311 1.597221 2.320254 
1 1 1   -1   42   26 o   9.7090   2.4719   77.858   65.442  150.337   91.024   0.3111   94.153   11.710   3.6291   7.7079   3.3570 4.002169 4.943717 
1 1 1   -1   42   27 o   12.833   2.5624  183.634   68.577  126.907   93.981  248.236  100.292   10.839   3.7109   14.827   3.5345 -3.987989 5.124761 
1 1 1   -1   42   28 o   12.533   2.9198  190.303   83.267  153.021  133.989  213.761  106.282   11.656   4.3742   13.410   3.8688 -1.754315 5.839611 
1 1 1   -1   43    1 o   82.774   2.1666  6705.30  166.553  6708.77  171.915  6652.19  672.082   83.116   1.0655   82.432   4.2001 0.6840668 4.333185 
1 1 1   -1   43    2 f   68.640   2.7905  5231.88  136.555  5285.23  139.417  3972.10  677.426   73.776   0.9735   63.503   5.4954 10.27238 5.580968 
1 1 1   -1   43    3 o   13.401   4.3490   55.401   48.888   56.564   49.062 -107.0362  579.885   7.9205   2.6813   18.882   8.2743 -10.96100 8.697941 
1 1 1   -1   43    4 o   60.680   2.4820  3476.82   99.621  3469.41  101.101  3724.31  584.194   59.776   0.8713   61.583   4.8869 -1.806702 4.963937 
1 1 1   -1   43    5 o  111.649   1.0824 12122.08  224.718 12143.60  280.263 12083.35  376.050  111.807   1.2913  111.491   1.7376 0.3165665 2.164866 
1 1 1   -1   43    6 o   45.231   0.7250  2012.59   60.938  2080.52   76.590  1895.41  100.595   46.289   0.8524   44.174   1.1731 2.115398 1.450092 
1 1 1   -1   43    7 o   10.171   2.1193   88.262   42.639   62.314   51.018  148.380   77.655   8.2236   2.7340   12.118   3.2391 -3.893962 4.238648 
1 1 1   -1   43    8 o  105.675   1.0508 10870.34  206.599 10913.18  257.993 10793.76  344.940  105.986   1.2540  105.364   1.6865 0.6224899 2.101619 
1 1 1   -1   43    9 o   83.691   1.0450  6806.30  169.710  6764.23  236.454  6851.00  243.723   83.425   1.4601   83.956   1.4955 -0.5305862 2.090060 
1 1 1   -1   43   10 o   71.970   0.9555  5033.39  133.466  5146.37  189.331  4921.80  188.173   72.773   1.3402   71.167   1.3621 1.606895 1.910925 
1 1 1   -1   43   11 o   9.6904   2.0801   72.322   51.019 -19.1331   71.775  165.718   72.533   6.6080   2.9030   12.773   2.9799 -6.164786 4.160238 
1 1 1   -1   43   12 o   64.616   0.9262  4055.47  116.119  4127.94  167.339  3988.17  161.264   65.171   1.3227   64.060   1.2968 1.111145 1.852414 
1 1 1   -1   43   13 o   18.245   1.7863  337.906   59.434  242.360   84.966  429.450   83.167   15.493   2.9325   20.996   2.0405 -5.503312 3.572621 
1 1 1   -1   43   14 o   69.015   0.9836  4629.11  131.718  4698.61  189.604  4564.28  183.120   69.514   1.4051   68.516   1.3768 0.9983749 1.967228 
1 1 1   -1   43   15 o   13.605   2.0528  189.173   52.308  198.520   70.225  177.526   78.395   14.017   2.6785   13.193   3.1115 0.8238039 4.105622 
1 1 1   -1   43   16 o   59.620   0.8283  3475.93   92.781  3540.12  117.874  3371.40  150.423   60.359   1.0060   58.880   1.3161 1.479660 1.656545 
1 1 1   -1   43   17 o   55.956   0.8212  3014.87   86.714  2923.79  109.611  3167.23  141.764   54.848   1.0295   57.065   1.2798 -2.216583 1.642475 
1 1 1   -1   43   18 o   29.018   1.1314  816.302   63.252  787.480   83.809  854.445   96.415   28.432   1.5185   29.604   1.6777 -1.172329 2.262878 
1 1 1   -1   43   19 o   58.829   0.8811  3338.14   98.342  3226.55  125.406  3516.36  158.485   57.582   1.1219   60.076   1.3590 -2.493797 1.762288 
1 1 1   -1   43   20 o   44.340   0.8968  1925.20   76.582  2001.09  103.318  1832.66  114.088   45.327   1.1742   43.353   1.3557 1.974594 1.793517 
1 1 1   -1   43   21 o   18.948   1.6585  354.510   61.001  356.040   86.162  352.972   86.375   18.991   2.3373   18.906   2.3535 0.8421135E-01 3.316913 
1 1 1   -1   43   22 o   11.705   2.4847  141.605   60.944  138.908   88.492  144.039   84.056   11.629   3.5741   11.781   3.4527 -0.1512060 4.969408 
1 1 1   -1   43   23 o   36.580   0.9953  1315.36   70.372  1349.99   95.969  1275.07  103.499   37.122   1.3318   36.038   1.4795 1.083824 1.990627 
1 1 1   -1   43   24 o   29.068   1.1869  837.992   66.643  917.680   93.328  755.084   95.195   30.513   1.5756   27.622   1.7754 2.891621 2.373751 
1 1 1   -1   43   25 o   9.3675   2.4059   62.387   63.484  143.997   89.051 -21.9514   90.528   11.551   3.5912   7.1835   3.2026 4.367979 4.811750 
1 1 1   -1   43   26 o   9.1783   2.5553   62.633   67.945   94.526   96.320   31.045   95.860   9.9801   3.7159   8.3766   3.5086 1.603495 5.110572 
1 1 1   -1   43   27 o   7.8091   2.4613 -71.3030   78.583   77.849  125.153 -168.3778  100.967   9.9835   4.0778   5.6346   2.7575 4.348863 4.922629 
1 1 1   -1   44    1 o   65.725   2.8792  4887.44  130.739  4940.98  133.361  3566.25  662.549   71.332   0.9631   60.119   5.6773 11.21339 5.758436 
1 1 1   -1   44    2 o   88.874   2.3322  8141.85  194.182  8206.84  200.958  7226.59  754.096   91.923   1.1262   85.826   4.5263 6.097588 4.664314 
1 1 1   -1   44    3 o   23.052   4.6516  426.191   54.410  425.198   54.646  540.552  586.461   20.920   1.3456   25.184   9.2053 -4.264326 9.303144 
1 1 1   -1   44    4 o   27.314   4.7818  464.946   54.323  460.078   54.521  1131.18  637.808   21.761   1.2907   32.867   9.4761 -11.10514 9.563573 
1 1 1   -1   44    5 o   77.220   0.8679  5812.73  123.386  5856.26  152.338  5729.71  210.374   77.653   1.0106   76.787   1.4114 0.8660965 1.735882 
1 1 1   -1   44    6 o   59.974   0.7666  3493.16   84.434  3492.36  103.777  3494.72  145.224   59.970   0.8915   59.977   1.2474 -0.6393433E-02 1.533165 
1 1 1   -1   44    7 o  100.961   1.0442  9933.96  194.832  9996.52  241.515  9817.38  329.694  101.439   1.2265  100.484   1.6902 0.9551849 2.088369 
1 1 1   -1   44    8 o   74.058   0.8468  5367.90  116.383  5467.56  145.435  5190.44  194.074   75.031   0.9985   73.084   1.3680 1.946739 1.693649 
1 1 1   -1   44    9 f   80.106   1.0080  6236.74  156.733  6306.17  221.968  6167.71  221.340   80.551   1.4196   79.661   1.4314 0.8901291 2.015931 
1 1 1   -1   44   10 o   27.662   1.0630  747.035   56.829  794.324   78.541  695.073   82.331   28.587   1.4153   26.737   1.5863 1.850475 2.125940 
1 1 1   -1   44   11 f   61.118   0.9084  3630.55  107.718  3618.85  154.829  3641.52  149.961   61.021   1.3071   61.215   1.2620 -0.1935234 1.816890 
1 1 1   -1   44   12 o   61.699   0.9188  3699.94  110.041  3674.24  154.680  3726.27  156.580   61.482   1.2960   61.916   1.3028 -0.4333191 1.837652 
1 1 1   -1   44   13 o   37.403   0.9530  1357.11   69.057  1406.23  101.508  1314.79   94.222   38.030   1.3750   36.776   1.3199 1.254707 1.905963 
1 1 1   -1   44   14 o   76.744   1.0315  5727.94  153.646  5630.75  215.527  5828.38  219.093   76.082   1.4593   77.406   1.4581 -1.323769 2.062938 
1 1 1   -1   44   15 o   30.361   1.0357  885.524   60.490  817.941   79.335  979.369   93.488   28.998   1.4094   31.725   1.5181 -2.727097 2.071461 
1 1 1   -1   44   16 o   42.717   0.8580  1788.17   69.304  1839.16   89.207  1710.54  110.073   43.500   1.0564   41.933   1.3522 1.567059 1.715981 
1 1 1   -1   44   17 o   48.446   0.8488  2277.71   78.120  2258.49  100.424  2307.16  124.317   48.198   1.0734   48.694   1.3152 -0.4962997 1.697588 
1 1 1   -1   44   18 o   29.868   1.1106  872.105   63.299  882.031   82.553  857.942   98.611   30.088   1.4134   29.648   1.7134 0.4402046 2.221159 
1 1 1   -1   44   19 o   74.546   0.9354  5430.31  131.483  5479.15  167.552  5352.03  212.126   75.020   1.1506   74.072   1.4753 0.9479141 1.870888 
1 1 1   -1   44   20 f   51.814   0.8766  2616.55   87.423  2611.22  116.290  2623.48  132.575   51.768   1.1572   51.860   1.3169 -0.9193420E-01 1.753121 
1 1 1   -1   44   21 o   15.229   2.0790  236.052   60.009  285.022   86.635  190.887   83.201   16.934   2.6355   13.524   3.2162 3.409651 4.158095 
1 1 1   -1   44   22 o   9.1622   2.2957   51.473   58.806  141.147   84.009 -34.6840   82.345   11.628   3.4632   6.6967   3.0145 4.930943 4.591454 
1 1 1   -1   44   23 o   25.119   1.3212  627.655   63.707  515.778   89.072  744.824   91.154   22.776   2.0146   27.462   1.7099 -4.685457 2.642438 
1 1 1   -1   44   24 o   15.712   2.2069  258.095   65.834  182.545   89.545  346.975   97.124   12.966   3.4834   18.459   2.7106 -5.492598 4.413767 
1 1 1   -1   44   25 o   11.440   2.5799  141.941   64.593  139.303   92.252  144.479   90.471   11.357   3.6709   11.523   3.6259 -0.1652937 5.159719 
1 1 1   -1   44   26 o   12.502   2.6222  176.909   68.535  197.046   97.015  156.849   96.833   13.172   3.6618   11.832   3.7544 1.340443 5.244441 
1 1 1   -1   44   27 o   8.4843   2.6237  -1.2648   82.061   70.049  128.015 -51.0098  106.917   9.8032   4.0759   7.1654   3.3048 2.637755 5.247342 
1 1 1   -1   45    1 o  120.033   2.0934 14238.06  311.303 14293.02  331.327 13824.17  909.256  121.279   1.4074  118.788   3.9432 2.490875 4.186825 
1 1 1   -1   45    2 o   25.718   4.2082  342.469   53.377  334.307   53.651  1134.70  528.573   18.547   1.4902   32.890   8.2835 -14.34389 8.416470 
1 1 1   -1   45    3 o   69.315   2.7095  5087.47  134.411  5118.98  137.090  4304.65  683.285   72.602   0.9727   66.028   5.3310 6.574104 5.419020 
1 1 1   -1   45    4 o   81.390   2.5768  6404.57  161.370  6397.70  164.761  6566.47  799.516   81.161   1.0458   81.619   5.0463 -0.4572372 5.153524 
1 1 1   -1   45    5 o   22.531   1.1143  491.665   46.720  487.188   58.170  499.802   78.423   22.392   1.3383   22.670   1.7821 -0.2782898 2.228610 
1 1 1   -1   45    6 o   30.312   0.8806  849.700   48.981  770.650   59.068  1023.72   87.638   28.168   1.0803   32.457   1.3910 -4.289135 1.761203 
1 1 1   -1   45    7 o   11.333   2.0636  119.893   43.813   96.844   53.338  167.706   76.823   9.8175   2.7099   12.849   3.1128 -3.031910 4.127129 
1 1 1   -1   45    8 o   8.2367   2.1324   53.141   42.914   55.190   52.641   49.083   74.098   7.9681   2.7746   8.5053   3.2389 -0.5371838 4.264844 
1 1 1   -1   45    9 o   12.528   1.9084  174.922   41.898  200.763   49.558  110.169   78.449   14.366   1.7771   10.691   3.3778 3.674992 3.816808 
1 1 1   -1   45   10 o   73.366   0.9736  5233.51  138.610  5335.57  195.022  5129.32  197.041   74.091   1.3560   72.641   1.3974 1.449333 1.947127 
1 1 1   -1   45   11 o   58.746   0.8998  3355.32  102.561  3473.25  145.062  3237.46  145.024   59.780   1.2501   57.712   1.2945 2.067696 1.799566 
1 1 1   -1   45   12 o   58.469   0.8974  3322.73  101.818  3210.73  143.171  3437.33  144.829   57.471   1.2833   59.467   1.2546 -1.995468 1.794726 
1 1 1   -1   45   13 o   42.618   0.9392  1765.86   77.682  1813.87  110.345  1718.68  109.380   43.192   1.3161   42.043   1.3402 1.149921 1.878375 
1 1 1   -1   45   14 o   38.102   1.0070  1411.31   74.438  1438.43  107.476  1386.31  103.198   38.452   1.4399   37.751   1.4082 0.7012100 2.014039 
1 1 1   -1   45   15 o   64.580   0.8569  4085.70  103.896  4180.50  132.028  3931.50  168.377   65.587   1.0370   63.574   1.3644 2.013058 1.713753 
1 1 1   -1   45   16 o   5.8013   1.9210 -76.7979   54.098 -81.1470   74.539 -71.9573   78.638   5.6236   2.6478   5.9789   2.7838 -0.3553286 3.841953 
1 1 1   -1   45   17 o   12.611   2.3149  155.199   56.161  126.262   71.025  203.474   91.738   11.158   3.1443   14.063   3.3983 -2.905362 4.629845 
1 1 1   -1   45   18 o   48.179   0.8580  2229.93   78.059  2136.55   98.551  2387.15  127.875   46.859   1.0834   49.499   1.3308 -2.640182 1.716093 
1 1 1   -1   45   19 o   51.661   0.8762  2592.41   85.364  2565.72  108.284  2636.23  138.747   51.335   1.0866   51.987   1.3749 -0.6521645 1.752443 
1 1 1   -1   45   20 o   40.530   0.9473  1607.61   73.808  1634.68   98.285  1572.60  111.772   40.939   1.2368   40.120   1.4352 0.8186913 1.894529 
1 1 1   -1   45   21 o   13.611   2.3039  193.903   60.509  234.574   87.201  156.135   84.031   15.007   3.0961   12.214   3.4125 2.793391 4.607705 
1 1 1   -1   45   22 o   31.290   1.0793  961.524   65.534  929.865   91.604  994.714   93.792   30.761   1.5341   31.820   1.5185 -1.058546 2.158506 
1 1 1   -1   45   23 o   28.848   1.1964  822.098   66.997  818.219   94.469  826.023   95.029   28.779   1.6910   28.916   1.6930 -0.1363258 2.392847 
1 1 1   -1   45   24 o   12.716   2.2960  176.597   62.208  271.005   86.687   76.357   89.324   16.010   2.8959   9.4218   3.5637 6.588311 4.591978 
1 1 1   -1   45   25 o   16.089   2.2584  275.653   68.992  203.040   93.275  363.371  102.518   13.485   3.5241   18.693   2.8252 -5.207776 4.516770 
1 1 1   -1   45   26 o   12.080   2.6290  165.934   67.878  147.369   94.312  185.884   97.770   11.449   3.7129   12.712   3.7231 -1.263619 5.258045 
1 1 1   -1   46    1 o   26.216   4.3081  754.908   58.022  757.629   58.417  555.701  499.805   27.929   1.0775   24.504   8.5486 3.425259 8.616237 
1 1 1   -1   46    2 o   42.749   4.0276  2244.61   79.643  2260.92   80.455  1449.37  561.879   48.253   0.8589   37.246   8.0094 11.00713 8.055300 
1 1 1   -1   46    3 o   50.732   3.2399  2595.68   85.603  2598.25   86.431  2463.51  620.064   51.727   0.8608   49.737   6.4223 1.990707 6.479774 
1 1 1   -1   46    4 o   50.373   3.6457  2754.79   90.398  2764.21   91.243  2253.36  665.890   53.353   0.8810   47.393   7.2381 5.960075 7.291494 
1 1 1   -1   46    5 o  105.824   1.0913 10862.19  213.186 10808.68  263.190 10964.28  363.536  105.471   1.2855  106.177   1.7638 -0.7055969 2.182558 
1 1 1   -1   46    6 o   32.703   0.8724  1052.64   52.780  1085.98   65.949  993.218   88.029   33.438   1.0160   31.967   1.4186 1.470675 1.744891 
1 1 1   -1   46    7 o   43.192   0.7463  1785.00   59.698  1725.09   73.485  1901.27  102.376   42.147   0.8982   44.237   1.1922 -2.090130 1.492682 
1 1 1   -1   46    8 o   66.101   0.8137  4271.94   99.741  4338.10  124.426  4153.00  166.834   66.832   0.9591   65.371   1.3147 1.461037 1.627381 
1 1 1   -1   46    9 o   84.091   0.9348  6877.61  145.189  6888.27  179.624  6857.53  246.592   84.203   1.0989   83.980   1.5127 0.2239304 1.869697 
1 1 1   -1   46   10 o   11.082   2.0897  100.542   55.620  233.559   82.237 -11.6059   75.511   15.209   2.8912   6.9559   3.0179 8.252938 4.179362 
1 1 1   -1   46   11 o   36.107   0.9791  1264.90   68.529  1316.62  100.270  1219.57   93.874   36.797   1.4038   35.417   1.3654 1.380428 1.958298 
1 1 1   -1   46   12 o   55.989   0.9117  3047.39   99.080  3076.57  140.680  3018.67  139.567   56.255   1.2883   55.723   1.2903 0.5320244 1.823317 
1 1 1   -1   46   13 o   41.552   0.9535  1680.08   76.644  1669.16  113.020  1689.38  104.287   41.423   1.4055   41.681   1.2889 -0.2576294 1.907059 
1 1 1   -1   46   14 o   66.172   0.9868  4248.82  126.530  4433.96  185.799  4088.71  172.789   67.510   1.4178   64.834   1.3729 2.676849 1.973588 
1 1 1   -1   46   15 o   98.603   1.1111  9482.83  201.826  9517.15  249.158  9417.34  344.185   98.914   1.2976   98.293   1.8039 0.6209412 2.222116 
1 1 1   -1   46   16 o   42.907   0.8796  1785.65   70.884  1769.15   89.377  1813.63  116.377   42.654   1.0794   43.160   1.3890 -0.5064278 1.759162 
1 1 1   -1   46   17 o   38.274   0.8945  1417.99   64.825  1388.99   82.601  1464.48  104.597   37.780   1.1263   38.767   1.3899 -0.9866867 1.788979 
1 1 1   -1   46   18 o   67.528   0.9040  4507.75  114.813  4729.09  147.427  4166.61  183.029   69.702   1.0896   65.355   1.4427 4.347221 1.807932 
1 1 1   -1   46   19 o   32.623   1.0132  1044.90   63.601  1087.60   85.562  992.162   95.079   33.387   1.3202   31.859   1.5374 1.528122 2.026445 
1 1 1   -1   46   20 o   34.412   1.0268  1162.68   68.234  1214.92   93.248  1102.47  100.111   35.263   1.3622   33.562   1.5366 1.701580 2.053530 
1 1 1   -1   46   21 o   11.219   2.4268  129.708   59.422   89.492   86.083  166.313   82.128   9.9005   3.5392   12.538   3.3215 -2.637122 4.853664 
1 1 1   -1   46   22 o   12.100   2.4630  155.358   60.989  176.891   90.048  137.108   82.897   12.811   3.5149   11.388   3.4512 1.422873 4.925971 
1 1 1   -1   46   23 f   15.116   2.1846  242.899   63.129  159.602   88.013  331.162   90.598   12.158   3.5243   18.073   2.5824 -5.914423 4.369200 
1 1 1   -1   46   24 o   30.185   1.2484  907.557   73.107  928.360  102.497  886.015  104.304   30.553   1.7282   29.817   1.8021 0.7362080 2.496799 
1 1 1   -1   46   25 o   18.671   2.0777  373.937   69.989  235.327   95.841  532.318  102.448   14.505   3.4535   22.837   2.3110 -8.332267 4.155401 
1 1 1   -1   46   26 o   21.863   2.0428  513.025   84.351  493.465  133.527  526.014  108.811   21.263   3.2350   22.463   2.4954 -1.199492 4.085659 
1 1 1   -1   47    1 o   30.659   4.7933  888.930   60.069  887.871   60.344  1004.24  629.752   30.235   1.0282   31.084   9.5313 -0.8491955 9.586612 
1 1 1   -1   47    2 o   54.578   3.3129  2979.98   94.320  2981.84   95.227  2883.99  685.049   55.413   0.8853   53.744   6.5664 1.668972 6.625799 
1 1 1   -1   47    3 o   57.246   2.8357  3096.22   94.311  3090.59   95.379  3343.22  631.797   56.415   0.8710   58.076   5.6042 -1.661743 5.671461 
1 1 1   -1   47    4 o   82.108   2.7006  7094.61  177.137  7145.72  181.581  6088.76  805.558   85.768   1.0906   78.448   5.2899 7.319839 5.401153 
1 1 1   -1   47    5 o   67.143   0.8102  4339.73   99.612  4261.67  121.549  4499.39  173.827   66.242   0.9453   68.044   1.3160 -1.802216 1.620314 
1 1 1   -1   47    6 o   41.553   0.7913  1702.11   59.925  1752.14   73.668  1604.24  103.030   42.476   0.8935   40.630   1.3063 1.845844 1.582642 
1 1 1   -1   47    7 o   51.300   0.7596  2551.21   72.662  2537.52   90.778  2575.62  121.218   51.115   0.9149   51.485   1.2129 -0.3697243 1.519259 
1 1 1   -1   47    8 o   51.060   0.7708  2547.42   72.872  2582.11   90.691  2484.23  122.417   51.561   0.9061   50.559   1.2473 1.001930 1.541693 
1 1 1   -1   47    9 o   53.314   0.7843  2786.89   77.383  2847.32   96.465  2677.78  129.607   54.142   0.9178   52.487   1.2721 1.655254 1.568638 
1 1 1   -1   47   10 o   19.690   1.5696  387.025   58.384  293.561   84.358  472.954   80.886   17.341   2.5060   22.038   1.8907 -4.697155 3.139269 
1 1 1   -1   47   11 o   29.532   1.0945  850.685   62.384  964.089   88.821  740.275   87.641   31.483   1.4533   27.580   1.6370 3.903286 2.189051 
1 1 1   -1   47   12 o   87.836   1.1427  7510.58  194.818  7486.07  276.966  7534.59  274.086   87.692   1.6270   87.979   1.6049 -0.2872772 2.285367 
1 1 1   -1   47   13 f   48.366   0.9363  2274.50   87.895  2301.94  125.730  2248.27  122.923   48.651   1.3313   48.081   1.3170 0.5694923 1.872693 
1 1 1   -1   47   14 o   71.926   1.0270  5034.86  143.394  5041.55  203.387  5028.25  202.199   71.974   1.4557   71.879   1.4491 0.9415436E-01 2.054067 
1 1 1   -1   47   15 o   6.4044   2.0499 -40.4079   53.940 -28.1582   69.279 -59.2646   85.956   6.2645   2.7966   6.5443   2.9979 -0.2797542 4.099805 
1 1 1   -1   47   16 o   32.338   0.9778  1027.40   60.573  1081.04   80.733  958.297   91.623   33.323   1.2481   31.353   1.5055 1.970417 1.955527 
1 1 1   -1   47   17 o   39.616   0.9135  1511.74   68.568  1453.09   87.138  1607.10  111.113   38.633   1.1619   40.599   1.4099 -1.966160 1.826990 
1 1 1   -1   47   18 o   11.958   2.2152  132.509   56.637   50.685   74.435  245.024   87.285   8.4734   3.2416   15.442   3.0201 -6.968598 4.430408 
1 1 1   -1   47   19 o   18.414   1.6684  334.431   59.039  329.874   77.937  340.566   90.436   18.290   2.1952   18.539   2.5130 -0.2488308 3.336756 
1 1 1   -1   47   20 o   9.1083   2.3832   57.331   59.119   5.0657   82.080  113.675   85.222   7.5093   3.2003   10.707   3.5323 -3.198050 4.766469 
1 1 1   -1   47   21 o   21.171   1.5656  446.506   64.241  480.341   91.861  414.119   89.873   21.971   2.1539   20.371   2.2727 1.599030 3.131199 
1 1 1   -1   47   22 o   32.709   1.0617  1058.45   67.028  1125.07   92.052  983.265   97.791   33.840   1.4013   31.579   1.5953 2.260876 2.123367 
1 1 1   -1   47   23 o   8.6409   2.4079   34.754   64.441 -36.8717   91.354  105.690   90.913   6.9597   3.1501   10.322   3.6427 -3.362509 4.815860 
1 1 1   -1   47   24 o   33.997   1.1290  1151.68   74.139  1268.40  104.196  1031.99  105.514   35.793   1.4996   32.201   1.6880 3.591965 2.257927 
1 1 1   -1   47   25 o   28.189   1.3640  803.341   74.322  822.764  101.407  780.800  109.244   28.614   1.8257   27.764   2.0270 0.8493233 2.727955 
1 1 1   -1   48    1 o   61.134   3.6343  4444.00  124.060  4484.37  125.748  2970.11  759.803   67.950   0.9533   54.318   7.2059 13.63202 7.268699 
1 1 1   -1   48    2 o   29.964   4.9361  698.789   62.186  694.765   62.452  1168.57  674.781   26.741   1.2031   33.188   9.7985 -6.447020 9.872129 
1 1 1   -1   48    3 o   79.374   2.8407  6210.50  159.569  6212.29  162.430  6161.08  853.931   79.971   1.0463   78.777   5.5841 1.193787 5.681311 
1 1 1   -1   48    4 o   22.034   4.7021  455.931   58.974  458.077   59.206  183.957  666.494   21.709   1.4050   22.360   9.2987 -0.6510258 9.404197 
1 1 1   -1   48    5 o   28.546   5.2298  548.871   57.199  545.096   57.369  1184.83  744.693   23.684   1.2478   33.407   10.385 -9.723179 10.45954 
1 1 1   -1   48    6 o   38.946   0.8001  1459.73   57.976  1426.09   71.928  1522.13   97.954   38.317   0.9670   39.575   1.2751 -1.258194 1.600297 
1 1 1   -1   48    7 o   16.236   1.6461  267.350   48.311  287.498   61.568  235.066   77.934   17.185   1.8456   15.287   2.7262 1.897843 3.292192 
1 1 1   -1   48    8 o   54.833   0.7741  2916.29   78.452  2904.60   97.004  2938.39  133.389   54.683   0.9138   54.982   1.2498 -0.2985039 1.548239 
1 1 1   -1   48    9 o   28.508   0.9757  747.139   50.043  683.341   59.310  904.799   93.236   26.518   1.1522   30.497   1.5749 -3.979687 1.951379 
1 1 1   -1   48   10 o   45.676   0.7959  2040.98   66.095  2066.39   80.698  1989.19  115.199   46.122   0.9014   45.230   1.3121 0.8912506 1.591835 
1 1 1   -1   48   11 o   81.008   1.0810  6386.09  169.991  6371.52  240.877  6400.55  239.933   80.915   1.5336   81.100   1.5241 -0.1854019 2.162077 
1 1 1   -1   48   12 o   50.858   0.9271  2503.52   91.298  2695.37  134.965  2341.66  123.966   52.645   1.3207   49.071   1.3014 3.574337 1.854149 
1 1 1   -1   48   13 o   79.207   1.0896  6108.23  167.517  6050.69  237.567  6165.13  236.247   78.835   1.5524   79.580   1.5293 -0.7456436 2.179162 
1 1 1   -1   48   14 o   7.7421   2.2787  -5.8105   61.793 -91.5366   94.395   58.475   81.742   6.4669   3.0240   9.0174   3.4095 -2.550514 4.557333 
1 1 1   -1   48   15 o   20.720   1.5746  422.725   62.974  393.385   91.980  448.613   86.400   20.028   2.3659   21.413   2.0786 -1.385002 3.149298 
1 1 1   -1   48   16 o   22.168   1.4163  481.349   60.058  482.155   78.571  480.216   93.146   22.207   1.8226   22.129   2.1684 0.7799911E-01 2.832640 
1 1 1   -1   48   17 o   51.563   0.8488  2620.81   82.138  2717.85  104.747  2465.84  132.362   52.844   1.0211   50.282   1.3561 2.562313 1.697547 
1 1 1   -1   48   18 o   34.288   0.9720  1117.22   63.337  1008.37   80.288  1296.57  103.061   32.149   1.2866   36.428   1.4575 -4.278976 1.944075 
1 1 1   -1   48   19 f   13.082   2.0562  170.144   55.245   69.828   74.732  291.017   82.032   9.0456   3.2891   17.118   2.4686 -8.072866 4.112469 
1 1 1   -1   48   20 o   19.801   1.5796  393.662   60.041  423.536   81.280  357.784   89.074   20.679   2.0249   18.924   2.4248 1.755095 3.159102 
1 1 1   -1   48   21 o   24.496   1.3706  596.593   65.018  607.297   89.450  584.604   94.670   24.751   1.8618   24.241   2.0118 0.5093460 2.741120 
1 1 1   -1   48   22 o   8.5301   2.4448   41.772   62.974   40.070   91.726   43.290   86.610   8.5725   3.4951   8.4877   3.4194 0.8480835E-01 4.889544 
1 1 1   -1   48   23 o   22.698   1.4808  519.635   64.986  568.442   91.605  470.185   92.206   23.816   1.9815   21.580   2.2011 2.235373 2.961585 
1 1 1   -1   48   24 o   16.687   2.1862  304.821   67.863  161.686   93.036  467.570   99.206   12.007   3.6601   21.366   2.3919 -9.359085 4.372352 
1 1 1   -1   48   25 o   9.9097   2.6597   95.639   71.087  116.548   99.233   73.598  101.884   10.456   3.7919   9.3632   3.7304 1.092921 5.319312 
1 1 1   -1   49    1 o   19.922   4.7181  273.375   53.847  273.123   54.039  308.602  638.225   16.757   1.6613   23.087   9.2888 -6.330475 9.436193 
1 1 1   -1   49    2 o   75.920   2.8386  5646.03  148.465  5644.70  150.962  5685.06  819.703   76.230   1.0202   75.610   5.5849 0.6197357 5.677264 
1 1 1   -1   49    3 o   63.809   3.2244  4247.68  119.274  4259.52  120.769  3778.21  760.349   66.223   0.9395   61.394   6.3800 4.828529 6.448767 
1 1 1   -1   49    4 o   76.400   3.1547  6389.15  164.302  6437.46  167.370  5107.78  862.043   81.402   1.0592   71.398   6.2199 10.00464 6.309402 
1 1 1   -1   49    5 o   66.552   3.3354  3879.66  113.757  3862.26  114.681  4946.97  898.062   63.057   0.9369   70.048   6.6046 -6.990574 6.670740 
1 1 1   -1   49    6 o   26.336   1.0339  662.351   50.021  638.279   60.990  711.813   87.427   25.626   1.2261   27.046   1.6652 -1.419937 2.067901 
1 1 1   -1   49    7 o   42.019   0.7934  1727.69   61.726  1756.77   76.896  1675.01  103.508   42.527   0.9315   41.511   1.2845 1.016384 1.586725 
1 1 1   -1   49    8 o   66.759   0.8383  4325.78  103.624  4312.53  128.427  4350.50  175.416   66.626   0.9930   66.892   1.3509 -0.2659149 1.676613 
1 1 1   -1   49    9 f   26.036   1.1572  693.249   54.686  774.965   68.884  553.952   89.937   28.232   1.2569   23.841   1.9434 4.391659 2.314407 
1 1 1   -1   49   10 o   36.056   0.8855  1260.42   59.048  1252.24   73.025  1275.86  100.360   35.897   1.0480   36.215   1.4276 -0.3179817 1.770952 
1 1 1   -1   49   11 o   54.291   0.9340  2865.65   98.419  2915.49  140.906  2818.17  137.525   54.751   1.3258   53.831   1.3161 0.9207993 1.868097 
1 1 1   -1   49   12 o   49.670   0.9441  2399.61   91.013  2424.44  130.039  2375.76  127.424   49.922   1.3419   49.419   1.3283 0.5026283 1.888134 
1 1 1   -1   49   13 o   51.491   0.9531  2579.01   95.240  2661.68  136.227  2499.97  133.204   52.299   1.3419   50.684   1.3539 1.614811 1.906195 
1 1 1   -1   49   14 o   38.978   1.0077  1483.57   76.000  1427.51  110.755  1533.47  104.479   38.274   1.4907   39.682   1.3563 -1.408794 2.015423 
1 1 1   -1   49   15 o   38.639   1.0713  1454.24   80.297  1530.10  115.846  1384.09  111.399   39.609   1.5067   37.669   1.5234 1.939293 2.142670 
1 1 1   -1   49   16 o   32.975   1.0197  1042.07   63.537  983.682   80.111  1141.08  104.318   31.768   1.2991   34.181   1.5722 -2.413671 2.039467 
1 1 1   -1   49   17 o   9.8079   2.4203   80.356   56.745   51.228   73.522  123.272   89.243   8.4491   3.2241   11.167   3.6107 -2.717562 4.840692 
1 1 1   -1   49   18 o   51.737   0.8537  2600.98   83.665  2564.66  106.849  2658.54  134.510   51.300   1.0730   52.174   1.3281 -0.8742447 1.707387 
1 1 1   -1   49   19 o   28.451   1.1413  794.516   62.715  789.578   84.441  800.591   93.658   28.368   1.5334   28.533   1.6910 -0.1640835 2.282696 
1 1 1   -1   49   20 o   25.367   1.2748  634.660   62.605  616.547   84.983  656.155   92.577   24.985   1.7522   25.749   1.8522 -0.7638931 2.549689 
1 1 1   -1   49   21 o   16.654   1.9695  289.256   61.390  317.542   83.664  256.260   90.361   17.760   2.4267   15.547   3.1028 2.213371 3.939081 
1 1 1   -1   49   22 o   14.997   2.2488  242.840   63.443  257.039   89.234  228.326   90.218   15.495   3.0753   14.499   3.2819 0.9956408 4.497601 
1 1 1   -1   49   23 o   23.049   1.5596  544.117   68.879  595.534   93.555  483.260  101.782   24.345   1.9796   21.753   2.4104 2.592537 3.119141 
1 1 1   -1   49   24 o   10.091   2.6445  101.530   69.042  112.810   95.019   88.915  100.490   10.383   3.7176   9.7982   3.7621 0.5846844 5.289054 
1 1 1   -1   50    1 o   25.018   4.8002  547.006   61.642  546.019   61.947  646.671  622.481   23.699   1.3466   26.337   9.5055 -2.637959 9.600389 
1 1 1   -1   50    2 o   69.992   3.2055  5684.42  152.662  5752.66  155.720  3998.30  774.048   76.949   1.0425   63.036   6.3257 13.91209 6.411066 
1 1 1   -1   50    3 f   17.609   4.7810  141.192   60.339  138.451   60.644  411.772  602.554   11.672   2.7260   23.547   9.1651 -11.87515 9.561938 
1 1 1   -1   50    4 o   17.999   3.7159  411.711   60.538  423.640   60.821 -862.6390  628.627   20.870   1.5013   15.129   7.2785 5.741334 7.431764 
1 1 1   -1   50    5 o   23.746   4.9145  353.770   60.195  349.574   60.463  825.062  640.859   18.955   1.6433   28.538   9.6906 -9.583027 9.828974 
1 1 1   -1   50    6 o   42.849   0.8391  1786.18   64.756  1789.21   78.194  1779.56  115.530   42.917   0.9386   42.780   1.3912 0.1370888 1.678210 
1 1 1   -1   50    7 f   17.999   1.5989  333.407   52.232  378.072   66.180  259.629   85.057   19.705   1.7301   16.293   2.6893 3.412001 3.197722 
1 1 1   -1   50    8 o   16.901   1.7126  291.885   52.147  318.920   66.631  249.152   83.771   18.090   1.8974   15.713   2.8515 2.377254 3.425100 
1 1 1   -1   50    9 o   14.539   2.0153  232.147   52.827  285.684   66.888  143.391   86.123   17.118   2.0130   11.961   3.4918 5.156837 4.030503 
1 1 1   -1   50   10 o   43.026   0.8467  1785.73   67.686  1752.13   83.921  1848.28  114.496   42.462   1.0181   43.591   1.3531 -1.128864 1.693370 
1 1 1   -1   50   11 f   26.805   1.3051  701.070   67.778  754.002   96.157  648.805   95.550   27.815   1.7809   25.794   1.9083 2.021023 2.610203 
1 1 1   -1   50   12 o   72.290   1.0365  5085.57  145.412  5244.90  208.191  4933.81  203.187   73.396   1.4613   71.184   1.4704 2.211380 2.073030 
1 1 1   -1   50   13 o   21.519   1.6801  454.977   68.730  582.067  100.098  341.616   94.538   24.391   2.1141   18.647   2.6118 5.744236 3.360184 
1 1 1   -1   50   14 o   39.537   1.0415  1526.34   79.733  1399.67  112.575  1653.84  112.946   37.881   1.5309   41.192   1.4125 -3.311180 2.083009 
1 1 1   -1   50   15 f   43.748   0.9829  1862.37   83.279  2048.90  120.606  1692.39  115.132   45.842   1.3553   41.654   1.4239 4.188442 1.965780 
1 1 1   -1   50   16 o   8.3817   2.2830   42.018   55.572   82.300   72.024 -17.2435   87.358   9.4450   3.2480   7.3184   3.2092 2.126607 4.565986 
1 1 1   -1   50   17 o   53.919   0.8513  2853.80   86.229  2910.64  109.594  2761.42  139.707   54.663   1.0328   53.175   1.3535 1.488071 1.702518 
1 1 1   -1   50   18 o   9.0402   2.3590   61.686   54.663   36.033   71.020   98.972   85.622   7.8535   3.1191   10.227   3.5399 -2.373405 4.718028 
1 1 1   -1   50   19 o   21.271   1.3748  448.435   56.688  459.274   78.781  436.797   81.634   21.551   1.8832   20.991   2.0034 0.5595150 2.749522 
1 1 1   -1   50   20 o   22.426   1.4081  499.508   61.004  493.272   82.139  507.178   91.101   22.295   1.8980   22.557   2.0806 -0.2621288 2.816196 
1 1 1   -1   50   21 o   25.572   1.3538  649.552   67.111  619.438   92.039  683.741   98.067   24.945   1.9007   26.198   1.9284 -1.253206 2.707644 
1 1 1   -1   50   22 f   17.251   2.1344  320.642   67.113  161.833   91.194  508.280   99.126   12.105   3.6089   22.397   2.2800 -10.29180 4.268837 
1 1 1   -1   50   23 o   23.434   1.4914  556.042   67.823  549.663   94.555  562.801   97.337   23.304   2.0902   23.563   2.1280 -0.2592354 2.982825 
1 1 1   -1   50   24 f   12.912   2.5809  188.796   69.667  127.451   94.217  262.799  103.481   10.733   3.7134   15.092   3.5854 -4.358692 5.161832 
1 1 1   -1   51    1 o   35.715   4.9593  983.797   67.969  977.745   68.245  1726.91  756.208   31.721   1.1083   39.708   9.8566 -7.987232 9.918675 
1 1 1   -1   51    2 o   76.770   3.1889  6744.58  175.780  6827.42  179.663  4889.96  850.101   83.823   1.1042   69.716   6.2816 14.10696 6.377898 
1 1 1   -1   51    3 o   49.841   3.9329  2481.91   88.955  2481.97   89.596  2478.20  745.141   50.549   0.9131   49.133   7.8127 1.415592 7.865845 
1 1 1   -1   51    4 o   39.383   4.8794  1593.23   77.031  1593.04   77.473  1609.92  722.424   40.494   0.9856   38.272   9.7089 2.222015 9.758834 
1 1 1   -1   51    5 o   58.433   3.3006  3029.77  100.117  3016.80  100.962  3795.19  775.592   55.725   0.9333   61.141   6.5348 -5.416241 6.601116 
1 1 1   -1   51    6 o   10.335   2.1185  108.668   47.945  150.182   62.528   49.435   74.689   12.152   2.7187   8.5182   3.2498 3.634157 4.237045 
1 1 1   -1   51    7 f   50.037   0.7997  2438.38   73.565  2448.81   90.618  2418.21  125.985   50.205   0.9298   49.868   1.3015 0.3376770 1.599490 
1 1 1   -1   51    8 o   69.661   0.8750  4711.60  111.138  4699.03  135.546  4737.39  194.140   69.540   1.0041   69.782   1.4332 -0.2417297 1.749944 
1 1 1   -1   51    9 o   55.874   0.8075  3025.46   82.422  3007.08  100.623  3062.95  143.687   55.632   0.9318   56.116   1.3191 -0.4844208 1.614962 
1 1 1   -1   51   10 o   42.308   0.8598  1773.58   66.495  1844.28   82.236  1640.05  113.015   43.564   0.9725   41.052   1.4182 2.511677 1.719581 
1 1 1   -1   51   11 o   39.705   0.9002  1552.20   66.035  1596.18   82.315  1472.81  110.608   40.520   1.0465   38.891   1.4651 1.628094 1.800477 
1 1 1   -1   51   12 o   8.6628   2.3283   17.130   63.315 -88.6059   91.108  115.888   88.051   6.3414   2.9671   10.984   3.5888 -4.642897 4.656519 
1 1 1   -1   51   13 o   43.650   0.9866  1855.66   83.490  1731.51  116.545  1986.55  119.664   42.147   1.4245   45.152   1.3653 -3.005150 1.973107 
1 1 1   -1   51   14 o   45.820   0.9630  2032.61   85.310  2207.56  127.872  1892.28  114.523   47.582   1.3844   44.059   1.3390 3.522118 1.926045 
1 1 1   -1   51   15 o   19.573   1.8463  396.864   65.390  281.103   94.902  501.503   90.227   16.552   3.0666   22.595   2.0572 -6.042698 3.692686 
1 1 1   -1   51   16 o   42.382   1.0828  1750.07   89.082  1750.07   89.082   0.0000   0.0000   42.382   1.0828  ?   ?       ?      ? 
1 1 1   -1   51   17 o   26.359   1.1322  679.753   57.593  668.210   77.107  694.319   86.618   26.119   1.5208   26.599   1.6776 -0.4792595 2.264305 
1 1 1   -1   51   18 o   22.098   1.3721  485.296   58.271  501.848   77.953  464.334   87.725   22.560   1.7800   21.636   2.0887 0.9234009 2.744285 
1 1 1   -1   51   19 o   11.013   2.4260  120.872   58.683   79.935   78.415  172.984   88.473   9.3526   3.3740   12.673   3.4869 -3.320069 4.852084 
1 1 1   -1   51   20 o   33.526   1.0642  1090.21   68.658  981.205   90.130  1240.93  105.978   31.571   1.4707   35.481   1.5387 -3.909847 2.128490 
1 1 1   -1   51   21 o   12.283   2.4412  165.486   60.583  167.617   83.230  163.084   88.355   12.375   3.3726   12.191   3.5305 0.1847382 4.882466 
1 1 1   -1   51   22 o   14.128   2.4448  218.718   67.364  162.063   90.898  287.745  100.334   12.060   3.6048   16.195   3.3034 -4.135265 4.889525 
1 1 1   -1   51   23 o   18.015   2.0407  348.321   69.358  369.002   95.543  325.282  100.844   18.811   2.6166   17.219   3.1324 1.591286 4.081428 
1 1 1   -1   52    1 o   30.861   5.3330  1178.70   70.955  1183.37   71.223  560.529  819.572   34.896   1.0514   26.825   10.614 8.070930 10.66606 
1 1 1   -1   52    2 o   35.892   5.2249  1066.78   69.370  1062.05   69.634  1688.46  797.623   33.057   1.0851   38.726   10.393 -5.668438 10.44981 
1 1 1   -1   52    3 o   18.795   5.3096   36.350   64.425   28.672   64.692  958.967  709.128   7.4846   2.9755   30.105   10.194 -22.62000 10.61927 
1 1 1   -1   52    4 o   50.632   4.9535  3259.83  106.526  3280.89  107.464  2069.47  807.988   58.111   0.9527   43.154   9.8610 14.95709 9.906907 
1 1 1   -1   52    5 o   70.937   3.2939  4979.94  139.108  4978.89  140.847  5021.96  888.185   71.581   1.0136   70.292   6.5093 1.289513 6.587731 
1 1 1   -1   52    6 o   33.006   8.7561  1071.42  770.802  1474.31  1112.98  700.067  1068.54   36.239   12.750   29.773   12.005 6.465509 17.51226 
1 1 1   -1   52    7 o   57.926   0.8284  3258.37   88.047  3250.59  108.059  3273.75  151.872   57.839   0.9624   58.014   1.3486 -0.1745377 1.656814 
1 1 1   -1   52    8 o   43.797   0.8395  1865.41   67.766  1866.10   83.624  1864.09  115.656   43.821   0.9831   43.773   1.3611 0.4840469E-01 1.679023 
1 1 1   -1   52    9 o   19.559   1.5160  368.901   55.363  356.873   68.879  390.856   93.059   19.130   1.8548   19.988   2.3984 -0.8584385 3.031950 
1 1 1   -1   52   10 o   53.310   0.8298  2761.23   81.096  2754.86   99.447  2773.87  140.111   53.237   0.9623   53.383   1.3521 -0.1454430 1.659573 
1 1 1   -1   52   11 o   49.763   0.8100  2422.04   73.567  2446.99   90.107  2372.15  127.405   50.171   0.9252   49.355   1.3298 0.8153381 1.619996 
1 1 1   -1   52   12 o   32.810   1.0906  1048.94   69.392  1025.40   95.598  1075.16  100.884   32.424   1.5189   33.196   1.5656 -0.7722664 2.181266 
1 1 1   -1   52   13 o   25.550   1.3339  634.780   65.938  702.488   97.914  578.595   89.195   26.789   1.8829   24.311   1.8900 2.477560 2.667856 
1 1 1   -1   52   14 o   8.7400   2.4649   32.243   65.635 -18.3734   93.788   80.828   91.886   7.5816   3.3249   9.8985   3.6398 -2.316902 4.929822 
1 1 1   -1   52   15 o   21.529   1.4854  458.553   61.559  477.293   82.984  435.621   91.798   22.042   1.9394   21.015   2.2503 1.027742 2.970735 
1 1 1   -1   52   16 o   41.760   0.8663  1708.05   69.647  1751.81   93.411  1653.26  104.514   42.381   1.1354   41.139   1.3088 1.242207 1.732645 
1 1 1   -1   52   17 o   33.225   0.9875  1071.87   62.784  1027.02   81.452  1137.54   98.554   32.398   1.2951   34.053   1.4909 -1.654331 1.974904 
1 1 1   -1   52   18 o   11.488   2.3119  140.408   53.920  146.986   71.907  131.960   81.497   11.767   3.1035   11.209   3.4274 0.5577326 4.623744 
1 1 1   -1   52   19 o   7.6261   3.1512   23.790   75.846   23.790   75.846   0.0000   0.0000   7.6261   3.1512  ?   ?       ?      ? 
1 1 1   -1   52   20 o   8.5540   2.3957   41.099   59.524   7.8673   77.646   88.467   92.701   7.2664   3.1052   9.8416   3.6491 -2.575218 4.791485 
1 1 1   -1   52   21 o   12.006   2.3704  135.130   65.542   29.388   86.212  279.946  100.890   8.0405   3.3441   15.972   3.3604 -7.931915 4.740815 
1 1 1   -1   52   22 o   12.467   2.5586  171.503   66.938  122.523   90.463  230.773   99.513   10.675   3.6408   14.259   3.5959 -3.583488 5.117214 
1 1 1   -1   52   23 o   12.894   2.6975  196.762   73.149  226.103  101.077  164.496  105.994   13.906   3.6852   11.882   3.9402 2.023576 5.395024 
1 1 1   -1   53    1 f   24.068   5.0855  514.682   67.494  515.248   67.773  446.459  744.026   23.011   1.5173   25.125   10.057 -2.114531 10.17102 
1 1 1   -1   53    2 o   32.303   5.7554  1282.30   74.176  1286.37   74.388  573.983  981.807   36.383   1.0533   28.224   11.463 8.158709 11.51089 
1 1 1   -1   53    3 o   78.144   3.7555  6196.79  165.533  6200.77  167.431  6024.38  1102.52   79.876   1.0798   76.412   7.4329 3.463600 7.510934 
1 1 1   -1   53    4 o   23.444   5.9663  194.268   66.563  189.062   66.735  1200.57  927.847   13.679   2.6084   33.209   11.644 -19.53044 11.93262 
1 1 1   -1   53    5 o   32.538   5.8238  1095.48   72.990  1095.89   73.215  1028.21  932.481   33.576   1.1233   31.500   11.593 2.076315 11.64756 
1 1 1   -1   53    6 o   28.733   6.7625  668.846   69.307  669.093   69.384  556.477  1479.27   26.225   1.3630   31.241   13.456 -5.016626 13.52492 
1 1 1   -1   53    7 o   44.573   0.8514  1970.98   69.799  2062.84   87.040  1805.48  116.829   46.072   0.9732   43.073   1.3973 2.998882 1.702802 
1 1 1   -1   53    8 o   34.300   0.9511  1132.13   59.325  1109.11   71.876  1181.32  105.078   33.774   1.0963   34.825   1.5544 -1.050953 1.902103 
1 1 1   -1   53    9 o   20.723   1.4980  447.193   54.212  492.154   65.925  353.288   95.274   22.475   1.5111   18.971   2.5871 3.503391 2.996064 
1 1 1   -1   53   10 o   28.050   1.0887  753.862   56.649  723.767   69.792  811.975   96.984   27.261   1.3189   28.839   1.7324 -1.577776 2.177328 
1 1 1   -1   53   11 o   29.922   1.0543  873.409   58.692  874.015   73.239  872.322   98.119   29.957   1.2595   29.887   1.6912 0.7009697E-01 2.108680 
1 1 1   -1   53   12 o   5.9577   1.9357 -42.7288   47.441 -35.8682   56.955 -58.2756   85.737   5.3939   2.4593   6.5215   2.9899 -1.127620 3.871376 
1 1 1   -1   53   13 o   31.732   1.1748  988.301   72.064  1082.13  101.320  892.242  102.517   33.275   1.5686   30.189   1.7494 3.085644 2.349666 
1 1 1   -1   53   14 o   28.571   1.1907  798.512   65.695  790.111   88.319  808.917   98.293   28.415   1.6012   28.727   1.7627 -0.3114300 2.381338 
1 1 1   -1   53   15 o   34.336   1.0985  1155.97   72.964  1135.38  107.233  1173.73   99.566   34.037   1.6230   34.635   1.4809 -0.5979881 2.197077 
1 1 1   -1   53   16 o   36.285   0.9126  1278.73   63.857  1213.99   84.737  1363.82   97.143   35.241   1.2387   37.330   1.3406 -2.088837 1.825252 
1 1 1   -1   53   17 o   19.425   1.5311  374.672   56.692  369.887   73.368  381.765   89.314   19.316   1.9567   19.533   2.3556 -0.2161465 3.062222 
1 1 1   -1   53   18 o   16.382   2.0304  294.825   59.853  361.597   78.789  203.712   92.036   19.034   2.1324   13.729   3.4558 5.304419 4.060789 
1 1 1   -1   53   19 o   25.675   1.3068  662.798   63.632  695.161   82.947  616.512   99.198   26.519   1.6113   24.832   2.0579 1.686764 2.613678 
1 1 1   -1   53   20 o   12.984   2.4033  183.928   61.688  150.242   84.244  222.871   90.580   11.714   3.4633   14.255   3.3330 -2.541322 4.806592 
1 1 1   -1   53   21 o   16.876   1.9349  294.898   63.242  277.782   85.954  315.100   93.382   16.356   2.7072   17.396   2.7654 -1.039423 3.869887 
1 1 1   -1   53   22 o   11.831   2.6018  159.567   67.168  125.618   95.340  193.023   94.644   10.725   3.7341   12.937   3.6240 -2.212737 5.203550 
1 1 1   -1   54    1 o   18.490   5.8111   57.638   63.997   54.265   64.157  730.007  905.841   8.2995   3.0430   28.680   11.217 -20.38056 11.62228 
1 1 1   -1   54    2 o   33.425   5.9791  1350.95   76.620  1354.32   76.824  717.135  1052.61   37.328   1.0602   29.523   11.911 7.805143 11.95817 
1 1 1   -1   54    3 o   24.319   5.7513  495.249   67.533  496.638   67.661  130.375  1096.69   22.586   1.5432   26.052   11.399 -3.465719 11.50267 
1 1 1   -1   54    4 o   51.905   8.0884  3132.54  775.231  3191.81  1257.43  3096.20  984.619   51.292   12.697   52.519   10.024 -1.226685 16.17672 
1 1 1   -1   54    5 f   68.372   6.4890  5926.73  164.676  5950.21  165.779  4180.21  1429.74   78.233   1.0916   58.511   12.932 19.72252 12.97810 
1 1 1   -1   54    6 o   39.535   6.3968  1195.06   75.277  1189.76   75.439  2432.54  1152.44   34.980   1.1110   44.090   12.745 -9.109982 12.79359 
1 1 1   -1   54    7 o   31.984   1.0275  1033.23   59.244  1107.07   73.045  891.293  101.277   33.738   1.1153   30.230   1.7259 3.508898 2.054915 
1 1 1   -1   54    8 o   42.849   0.8519  1798.62   67.063  1824.13   82.770  1749.85  114.422   43.313   0.9844   42.384   1.3907 0.9289246 1.703886 
1 1 1   -1   54    9 o   39.116   0.9089  1506.79   65.530  1545.45   81.424  1435.73  110.403   39.858   1.0524   38.374   1.4821 1.483932 1.817733 
1 1 1   -1   54   10 o   49.754   0.8320  2403.17   74.476  2391.74   89.711  2428.53  133.586   49.593   0.9319   49.915   1.3787 -0.3224220 1.664091 
1 1 1   -1   54   11 o   49.630   0.8501  2427.63   76.795  2483.45   94.148  2316.67  132.746   50.525   0.9599   48.735   1.4032 1.790054 1.700120 
1 1 1   -1   54   12 o   48.745   0.8367  2350.00   75.656  2440.41   95.050  2193.67  124.980   50.074   0.9778   47.415   1.3579 2.659348 1.673324 
1 1 1   -1   54   13 o   27.711   1.2144  747.655   65.012  706.830   86.959  799.387   97.889   26.866   1.6674   28.556   1.7659 -1.689562 2.428738 
1 1 1   -1   54   14 o   16.190   2.1138  274.177   63.677  217.911   94.642  320.712   86.071   14.402   3.4337   17.978   2.4663 -3.576587 4.227654 
1 1 1   -1   54   15 o   11.129   2.4586  127.842   58.953  111.684   91.203  139.438   77.265   10.714   3.6556   11.544   3.2888 -0.8307247 4.917297 
1 1 1   -1   54   16 o   9.4446   2.2849   73.027   58.056  144.475   77.256 -19.6665   87.996   11.685   3.2746   7.2040   3.1874 4.481303 4.569763 
1 1 1   -1   54   17 o   35.590   0.9657  1254.41   65.329  1301.49   85.170  1187.13  101.822   36.454   1.2036   34.727   1.5105 1.727699 1.931358 
1 1 1   -1   54   18 o   37.160   0.9837  1348.79   68.972  1319.89   87.371  1396.57  112.357   36.689   1.2268   37.631   1.5381 -0.9418335 1.967413 
1 1 1   -1   54   19 o   9.7666   2.4046   58.136   59.590  -7.7484   73.743  182.107  101.156   6.7336   2.9508   12.800   3.7975 -6.066119 4.809179 
1 1 1   -1   54   20 o   18.061   1.9245  346.343   63.880  366.744   83.085  316.846   99.903   19.004   2.2523   17.119   3.1213 1.884487 3.849056 
1 1 1   -1   54   21 o   7.1481   2.2743 -24.8032   66.341  -7.0721   88.763 -47.2431   99.856   7.2761   3.2112   7.0201   3.2215 0.2560205 4.548652 
1 1 1   -1   54   22 f   11.440   2.6946  148.358   70.727  118.053   97.387  182.181  102.885   10.450   3.7613   12.429   3.8594 -1.979411 5.389104 
1 1 1   -1   55    1 o   51.692   5.9230  3266.95  107.953  3275.44  108.529  2473.43  1049.25   58.054   0.9631   45.330   11.807 12.72366 11.84601 
1 1 1   -1   55    2 o   63.213   4.0649  3655.28  115.483  3644.13  116.229  4516.37  1021.37   61.232   0.9778   65.193   8.0707 -3.961506 8.129753 
1 1 1   -1   55    3 o   45.588   5.3065  1717.71   83.106  1709.74   83.407  2817.18  979.406   41.938   1.0246   49.238   10.563 -7.300514 10.61303 
1 1 1   -1   55    4 o   25.087   5.7945  547.770   69.860  548.813   70.002  291.378  1097.74   23.736   1.5193   26.439   11.489 -2.703106 11.58893 
1 1 1   -1   55    5 o   43.152   6.5127  1971.63   85.963  1970.23   86.200  2225.18  1160.95   45.017   0.9864   41.287   12.988 3.730255 13.02547 
1 1 1   -1   55    6 o   30.219   1.2693  889.021   74.456  889.021   74.456   0.0000   0.0000   30.219   1.2693  ?   ?       ?      ? 
1 1 1   -1   55    7 o   30.855   0.9964  917.678   57.543  891.059   71.873  965.207   96.038   30.253   1.2238   31.456   1.5728 -1.202467 1.992866 
1 1 1   -1   55    8 o   22.690   1.2965  487.193   54.890  448.789   67.663  561.107   93.870   21.442   1.6256   23.938   2.0201 -2.496479 2.592942 
1 1 1   -1   55    9 f   41.510   0.9105  1699.47   68.950  1741.27   84.747  1617.62  118.587   42.303   1.0320   40.717   1.5004 1.586475 1.821049 
1 1 1   -1   55   10 o   71.490   0.9080  4955.36  118.355  4905.06  144.094  5059.65  207.497   70.987   1.0457   71.992   1.4848 -1.004982 1.816045 
1 1 1   -1   55   11 o   9.0022   2.3454   64.683   50.935   62.890   61.143   68.749   92.077   8.4545   2.9869   9.5499   3.6168 -1.095424 4.690702 
1 1 1   -1   55   12 o   37.249   0.9939  1357.25   71.753  1433.41  100.948  1279.48  102.009   38.315   1.3573   36.183   1.4523 2.131310 1.987818 
1 1 1   -1   55   13 o   39.557   0.8714  1521.15   62.214  1510.75   75.116  1543.88  111.022   39.383   0.9826   39.731   1.4395 -0.3484612 1.742881 
1 1 1   -1   55   14 o   21.999   1.5066  482.859   63.763  446.015   94.337  513.847   86.518   21.185   2.2940   22.812   1.9538 -1.627140 3.013198 
1 1 1   -1   55   15 o   28.568   1.2315  805.211   68.271  789.280   97.168  820.744   95.943   28.281   1.7700   28.854   1.7129 -0.5732346 2.463086 
1 1 1   -1   55   16 f   21.474   1.4218  441.993   58.171  364.249   74.400  564.272   93.307   19.136   2.0029   23.812   2.0186 -4.676836 2.843671 
1 1 1   -1   55   17 o   11.850   2.4024  153.357   59.296  182.856   78.183  113.413   90.980   13.071   3.1239   10.628   3.6507 2.442213 4.804832 
1 1 1   -1   55   18 o   9.4624   2.3447   81.374   58.422  134.898   76.760   7.6764   90.070   11.187   3.3054   7.7379   3.3265 3.449019 4.689446 
1 1 1   -1   55   19 o   10.447   2.5400  100.349   61.180   64.547   75.997  166.277  103.129   8.6761   3.2858   12.218   3.8743 -3.541840 5.079997 
1 1 1   -1   55   20 f   11.365   2.4130  142.733   66.514  225.146   86.995   26.765  103.197   14.269   3.2175   8.4608   3.5968 5.808113 4.825904 
1 1 1   -1   55   21 o   7.8804   2.3787   18.369   65.627   49.812   87.068 -22.9954   99.865   8.4137   3.4147   7.3471   3.3124 1.066660 4.757343 
1 1 1   -1   56    1 o   17.195   5.6666   68.349   64.338   66.789   64.486  407.205  950.284   8.7391   3.0694   25.650   10.910 -16.91101 11.33313 
1 1 1   -1   56    2 o   21.113   4.6427  497.265   63.870  502.941   64.036 -595.2626  888.465   22.720   1.4520   19.507   9.1711 3.212744 9.285331 
1 1 1   -1   56    3 o   16.418   5.1608  150.337   67.554  154.688   67.665 -1176.4360  1181.64   12.286   2.8862   20.550   9.9099 -8.263766 10.32165 
1 1 1   -1   56    4 o   76.891   5.7956  8173.71  215.678  8267.40  218.579  4713.96  1328.25   92.155   1.2219   61.628   11.527 30.52778 11.59127 
1 1 1   -1   56    5 o   5.7488   2.6482 -51.7509   68.358 -51.7509   68.358   0.0000   0.0000   5.7488   2.6482  ?   ?       ?      ? 
1 1 1   -1   56    6 o   29.950   1.2429  873.571   72.262  873.571   72.262   0.0000   0.0000   29.950   1.2429  ?   ?       ?      ? 
1 1 1   -1   56    7 f   32.232   1.1261  1011.31   70.455  1011.31   70.455   0.0000   0.0000   32.232   1.1261  ?   ?       ?      ? 
1 1 1   -1   56    8 o   7.3806   2.1968  -9.0950   52.263 -40.0295   64.249   51.407   89.853   5.7298   2.6123   9.0313   3.5326 -3.301514 4.393509 
1 1 1   -1   56    9 f   55.934   0.8398  3079.10   86.282  3146.04  106.699  2952.62  146.665   56.859   0.9667   55.010   1.3735 1.848766 1.679571 
1 1 1   -1   56   10 o   16.155   1.9918  286.691   54.345  322.230   65.805  210.463   96.376   18.123   1.8705   14.186   3.5172 3.936865 3.983609 
1 1 1   -1   56   11 o   19.328   1.4984  350.271   53.631  313.165   65.258  427.481   94.135   17.857   1.8826   20.798   2.3316 -2.941238 2.996767 
1 1 1   -1   56   12 o   28.492   1.0740  785.161   55.048  769.522   66.085  820.608   99.494   28.079   1.2124   28.905   1.7732 -0.8256645 2.148096 
1 1 1   -1   56   13 o   25.811   1.1633  644.350   57.099  606.381   72.837  704.888   91.970   24.865   1.5090   26.757   1.7707 -1.891457 2.326503 
1 1 1   -1   56   14 o   20.122   1.6621  410.245   63.797  365.055   96.093  445.863   85.310   19.054   2.5981   21.191   2.0739 -2.137573 3.324276 
1 1 1   -1   56   15 o   8.7884   2.5011   44.700   66.021   22.505   94.489   65.873   92.286   8.2925   3.4789   9.2843   3.5943 -0.9917469 5.002149 
1 1 1   -1   56   16 o   7.4765   2.2275   4.9891   55.786 -27.1228   73.922   47.473   85.026   6.3889   2.8678   8.5642   3.4092 -2.175296 4.454970 
1 1 1   -1   56   17 o   18.875   1.6556  355.900   59.024  342.286   74.697  378.531   96.306   18.479   2.0824   19.272   2.5743 -0.7929173 3.311131 
1 1 1   -1   56   18 o   9.9608   2.5009   89.565   59.950   58.846   75.834  140.755   97.893   8.5081   3.2678   11.414   3.7868 -2.905509 5.001807 
1 1 1   -1   56   19 o   8.8194   2.4455   61.973   61.115   79.466   77.397   33.002   99.602   9.1361   3.3434   8.5028   3.5697 0.6332884 4.890904 
1 1 1   -1   56   20 o   18.281   1.9567  366.471   64.959  416.952   85.767  298.550   99.484   20.184   2.1891   16.378   3.2439 3.805834 3.913448 
1 1 1   -1   57    1 o   33.124   5.9866  896.226   72.138  891.700   72.339  1707.61  968.549   30.261   1.2314   35.987   11.910 -5.726006 11.97324 
1 1 1   -1   57    2 o   28.004   6.6127  586.322   67.914  584.825   68.002  1166.35  1338.56   24.493   1.4303   31.515   13.148 -7.022301 13.22547 
1 1 1   -1   57    3 o   35.806   1.0737  1247.52   74.626  1247.52   74.626   0.0000   0.0000   35.806   1.0737  ?   ?       ?      ? 
1 1 1   -1   57    4 o   10.192   3.0779  103.951   66.016  103.951   66.016   0.0000   0.0000   10.192   3.0779  ?   ?       ?      ? 
1 1 1   -1   57    5 o   8.8114   3.0528   69.939   63.686   69.939   63.686   0.0000   0.0000   8.8114   3.0528  ?   ?       ?      ? 
1 1 1   -1   57    6 o   31.852   1.2053  988.385   74.523  988.385   74.523   0.0000   0.0000   31.852   1.2053  ?   ?       ?      ? 
1 1 1   -1   57    7 o   28.265   1.2800  778.953   70.231  778.953   70.231   0.0000   0.0000   28.265   1.2800  ?   ?       ?      ? 
1 1 1   -1   57    8 o   37.013   0.9400  1334.11   63.803  1328.76   78.242  1344.72  110.230   36.935   1.0913   37.092   1.5309 -0.1572876 1.880076 
1 1 1   -1   57    9 o   42.111   0.8777  1728.82   68.789  1726.71   85.845  1732.61  114.986   42.104   1.0503   42.117   1.4064 -0.1301575E-01 1.755343 
1 1 1   -1   57   10 o   34.600   0.9721  1190.23   61.780  1237.68   76.806  1103.27  103.985   35.633   1.1104   33.566   1.5959 2.067039 1.944182 
1 1 1   -1   57   11 o   9.0497   2.2569   74.663   50.769  100.575   61.894   21.373   88.759   9.9351   2.9757   8.1644   3.3942 1.770664 4.513899 
1 1 1   -1   57   12 o   25.844   1.1885  639.878   58.275  581.997   73.678  736.592   95.239   24.347   1.5589   27.340   1.7945 -2.992826 2.377076 
1 1 1   -1   57   13 o   18.904   1.4634  334.357   52.032  272.811   64.617  447.869   87.753   16.586   2.0070   21.222   2.1302 -4.636560 2.926711 
1 1 1   -1   57   14 o   17.826   1.6961  318.415   56.315  315.931   70.334  322.852   94.000   17.815   2.0338   17.836   2.7150 -0.2085686E-01 3.392275 
1 1 1   -1   57   15 o   18.235   1.7994  335.940   63.669  322.867   88.957  349.671   91.167   17.866   2.5650   18.605   2.5244 -0.7386494 3.598850 
1 1 1   -1   57   16 o   9.8899   2.4871   95.016   59.234  100.325   75.198   86.337   96.148   9.9214   3.3198   9.8583   3.7043 0.6317806E-01 4.974176 
1 1 1   -1   57   17 o   17.703   1.8754  311.722   62.990  275.100   79.502  373.481  103.241   16.409   2.4960   18.997   2.7997 -2.587811 3.750760 
1 1 1   -1   57   18 o   10.300   2.5791  105.303   63.302   88.741   80.986  131.313  101.488   9.5126   3.4293   11.088   3.8531 -1.575297 5.158125 
1 1 1   -1   57   19 f   32.672   1.1990  1062.49   73.228  1046.12   91.693  1091.30  121.676   32.458   1.4553   32.887   1.9060 -0.4292030 2.398050 
1 1 1   -1   57   20 o   14.713   2.3842  254.070   68.088  301.067   88.767  186.899  106.123   16.870   2.7107   12.556   3.9231 4.313167 4.768481 
1 1 1   -1   58    1 o   29.215   7.3246  323.372   68.259  318.142   68.335  2679.56  1450.32   18.019   1.9537   40.411   14.518 -22.39232 14.64921 
1 1 1   -1   58    2 o   13.745   2.5121  191.882   64.557  191.882   64.557   0.0000   0.0000   13.745   2.5121  ?   ?       ?      ? 
1 1 1   -1   58    3 o   27.239   1.3153  723.404   69.550  723.404   69.550   0.0000   0.0000   27.239   1.3153  ?   ?       ?      ? 
1 1 1   -1   58    4 o   19.595   1.7811  375.884   67.747  375.884   67.747   0.0000   0.0000   19.595   1.7811  ?   ?       ?      ? 
1 1 1   -1   58    5 o   36.896   1.0769  1325.67   77.132  1325.67   77.132   0.0000   0.0000   36.896   1.0769  ?   ?       ?      ? 
1 1 1   -1   58    6 o   54.006   0.9762  2839.08  102.340  2839.08  102.340   0.0000   0.0000   54.006   0.9762  ?   ?       ?      ? 
1 1 1   -1   58    7 o   17.211   1.8613  290.675   62.186  290.675   62.186   0.0000   0.0000   17.211   1.8613  ?   ?       ?      ? 
1 1 1   -1   58    8 o   18.598   1.5135  328.926   52.870  296.811   65.637  388.260   89.216   17.376   1.9459   19.821   2.3188 -2.444685 3.027097 
1 1 1   -1   58    9 o   22.841   1.3501  525.634   56.805  557.130   71.305  470.923   93.979   23.854   1.5399   21.828   2.2179 2.025333 2.700113 
1 1 1   -1   58   10 o   7.1580   2.1939  -5.4627   53.399 -11.7273   65.511   6.9395   92.176   6.3557   2.7833   7.9604   3.3920 -1.604695 4.387743 
1 1 1   -1   58   11 o   31.538   1.0280  997.657   59.864  1055.34   75.278  898.412   98.739   32.862   1.1801   30.214   1.6835 2.648184 2.055930 
1 1 1   -1   58   12 o   22.434   1.3407  470.392   56.323  398.719   69.354  609.217   96.522   20.092   1.7782   24.777   2.0069 -4.684963 2.681340 
1 1 1   -1   58   13 o   26.543   1.2032  709.022   59.225  744.351   74.701  649.233   97.177   27.526   1.3980   25.560   1.9586 1.966185 2.406327 
1 1 1   -1   58   14 o   8.6669   2.3654   57.932   55.279   68.579   68.215   37.565   94.347   8.7151   3.1465   8.6187   3.5328 0.9638405E-01 4.730831 
1 1 1   -1   58   15 o   7.1578   2.2761 -33.2242   66.513 -11.8976   94.381 -54.2664   93.750   7.5306   3.3180   6.7850   3.1165 0.7456856 4.552154 
1 1 1   -1   58   16 o   8.3778   2.2101   33.092   60.366  120.840   75.072 -127.4482  101.544   10.621   3.2965   6.1348   2.9447 4.485846 4.420242 
1 1 1   -1   58   17 o   11.639   2.5265  134.839   61.342   93.885   75.765  212.771  104.513   9.6079   3.3297   13.671   3.8008 -4.062678 5.053031 
1 1 1   -1   58   18 o   20.649   1.7223  452.185   65.475  488.347   82.992  392.573  106.555   21.996   1.9437   19.303   2.8437 2.692913 3.444535 
1 1 1   -1   58   19 o   16.244   2.1999  288.274   65.875  282.936   83.424  297.115  107.363   16.403   2.6200   16.086   3.5348 0.3174343 4.399899 
1 1 1   -1   59    1 o   36.866   1.0770  1323.69   77.076  1323.69   77.076   0.0000   0.0000   36.866   1.0770  ?   ?       ?      ? 
1 1 1   -1   59    2 o   19.451   1.7267  370.531   65.196  370.531   65.196   0.0000   0.0000   19.451   1.7267  ?   ?       ?      ? 
1 1 1   -1   59    3 o   24.209   1.4380  572.443   67.574  572.443   67.574   0.0000   0.0000   24.209   1.4380  ?   ?       ?      ? 
1 1 1   -1   59    4 o   50.042   0.9837  2438.02   95.560  2438.02   95.560   0.0000   0.0000   50.042   0.9837  ?   ?       ?      ? 
1 1 1   -1   59    5 o   15.755   2.0495  244.248   62.682  244.248   62.682   0.0000   0.0000   15.755   2.0495  ?   ?       ?      ? 
1 1 1   -1   59    6 o   9.8035   3.0549   96.083   64.400   96.083   64.400   0.0000   0.0000   9.8035   3.0549  ?   ?       ?      ? 
1 1 1   -1   59    7 o   9.6046   3.0607   91.421   64.303   91.421   64.303   0.0000   0.0000   9.6046   3.0607  ?   ?       ?      ? 
1 1 1   -1   59    8 o   28.217   1.3175  778.323   72.167  778.323   72.167   0.0000   0.0000   28.217   1.3175  ?   ?       ?      ? 
1 1 1   -1   59    9 o   44.672   0.8767  1959.44   71.644  1977.07   87.949  1924.67  123.521   45.026   1.0062   44.318   1.4358 0.7087250 1.753301 
1 1 1   -1   59   10 o   37.243   0.9434  1362.99   62.839  1370.02   75.552  1347.22  113.186   37.466   1.0388   37.020   1.5750 0.4462509 1.886775 
1 1 1   -1   59   11 o   23.897   1.3241  569.199   58.966  579.099   74.130  552.142   97.301   24.252   1.5747   23.542   2.1292 0.7097664 2.648185 
1 1 1   -1   59   12 o   8.8179   2.3648   50.091   53.924   22.729   65.982  105.122   93.574   7.2013   2.9534   10.434   3.6942 -3.233077 4.729649 
1 1 1   -1   59   13 o   22.613   1.3919  498.465   59.178  469.151   74.015  550.411   98.528   21.769   1.7516   23.458   2.1638 -1.689142 2.783846 
1 1 1   -1   59   14 o   7.5758   2.2461   17.089   50.354   8.1357   59.104   40.792   96.167   6.4552   2.7320   8.6964   3.5659 -2.241208 4.492158 
1 1 1   -1   59   15 o   11.568   2.5441  141.002   67.856   67.812   96.729  211.917   95.215   9.3186   3.6594   13.817   3.5354 -4.498546 5.088207 
1 1 1   -1   59   16 o   8.9338   2.4885   52.496   62.829   22.072   80.136  101.034  101.219   7.6317   3.2029   10.236   3.8096 -2.604236 4.977074 
1 1 1   -1   59   17 o   22.404   1.5521  512.742   65.013  516.524   81.982  506.333  106.717   22.665   1.8634   22.144   2.4827 0.5209351 3.104188 
1 1 1   -1   59   18 o   34.183   1.1451  1142.79   72.860  1078.67   89.931  1265.28  124.295   32.949   1.4061   35.418   1.8079 -2.469482 2.290283 
1 1 1   -1   60    1 o   48.896   0.9748  2327.94   92.521  2327.94   92.521   0.0000   0.0000   48.896   0.9748  ?   ?       ?      ? 
1 1 1   -1   60    2 o   34.971   1.0907  1191.83   74.040  1191.83   74.040   0.0000   0.0000   34.971   1.0907  ?   ?       ?      ? 
1 1 1   -1   60    3 o   22.711   1.5177  504.685   66.908  504.685   66.908   0.0000   0.0000   22.711   1.5177  ?   ?       ?      ? 
1 1 1   -1   60    4 o   23.418   1.4837  536.576   67.446  536.576   67.446   0.0000   0.0000   23.418   1.4837  ?   ?       ?      ? 
1 1 1   -1   60    5 o   30.216   1.2584  891.614   73.810  891.614   73.810   0.0000   0.0000   30.216   1.2584  ?   ?       ?      ? 
1 1 1   -1   60    6 o   27.861   1.3052  758.841   70.588  758.841   70.588   0.0000   0.0000   27.861   1.3052  ?   ?       ?      ? 
1 1 1   -1   60    7 o   17.518   1.9414  303.065   66.017  303.065   66.017   0.0000   0.0000   17.518   1.9414  ?   ?       ?      ? 
1 1 1   -1   60    8 o   22.427   1.5597  494.189   67.900  494.189   67.900   0.0000   0.0000   22.427   1.5597  ?   ?       ?      ? 
1 1 1   -1   60    9 f   41.309   0.9192  1682.83   69.237  1704.91   84.821  1638.76  119.853   41.785   1.0457   40.833   1.5121 0.9525757 1.838468 
1 1 1   -1   60   10 o   22.378   1.3629  484.340   56.963  452.820   70.488  543.672   96.709   21.412   1.6959   23.344   2.1341 -1.932398 2.725876 
1 1 1   -1   60   11 o   17.159   1.7222  280.616   54.424  249.905   65.800  347.122   96.829   15.821   2.1425   18.496   2.6969 -2.675199 3.444345 
1 1 1   -1   60   12 o   15.754   2.1045  287.966   57.742  343.687   71.403  182.667   98.157   18.574   1.9804   12.934   3.7140 5.639375 4.209062 
1 1 1   -1   60   13 o   26.495   1.2225  691.828   56.862  685.167   67.252  708.528  106.487   26.397   1.3125   26.592   2.0629 -0.1948814 2.445017 
1 1 1   -1   60   14 o   9.9345   2.4995   97.357   58.265  101.515   70.206   88.155  104.439   9.8575   3.2038   10.012   3.8374 -0.1540899 4.998988 
1 1 1   -1   60   15 o   16.718   1.8730  272.727   57.530  221.502   70.815  372.162   98.663   14.472   2.6171   18.963   2.6802 -4.491300 3.746036 
1 1 1   -1   60   16 o   23.154   1.4803  528.898   65.133  475.152   82.563  617.471  105.989   21.701   1.9599   24.607   2.2189 -2.905930 2.960547 
1 1 1   -1   60   17 o   11.828   2.4898  166.777   67.368  226.079   85.782   71.335  108.824   14.203   3.1894   9.4536   3.8243 4.749683 4.979678 
1 1 1   -1   61    1 o   54.521   0.9692  2896.41  102.575  2896.41  102.575   0.0000   0.0000   54.521   0.9692  ?   ?       ?      ? 
1 1 1   -1   61    2 o   9.2597   3.0468   83.674   63.420   83.674   63.420   0.0000   0.0000   9.2597   3.0468  ?   ?       ?      ? 
1 1 1   -1   61    3 o   9.4153   3.0465   87.745   63.523   87.745   63.523   0.0000   0.0000   9.4153   3.0465  ?   ?       ?      ? 
1 1 1   -1   61    4 o   13.323   2.5706  183.064   64.072  183.064   64.072   0.0000   0.0000   13.323   2.5706  ?   ?       ?      ? 
1 1 1   -1   61    5 o   26.540   1.2927  689.255   66.599  689.255   66.599   0.0000   0.0000   26.540   1.2927  ?   ?       ?      ? 
1 1 1   -1   61    6 o   28.913   1.2067  817.477   67.726  817.477   67.726   0.0000   0.0000   28.913   1.2067  ?   ?       ?      ? 
1 1 1   -1   61    7 o   25.918   1.3912  658.964   69.994  658.964   69.994   0.0000   0.0000   25.918   1.3912  ?   ?       ?      ? 
1 1 1   -1   61    8 o   7.8368   3.0266   44.463   65.314   44.463   65.314   0.0000   0.0000   7.8368   3.0266  ?   ?       ?      ? 
1 1 1   -1   61    9 o   29.191   1.0715  831.120   57.641  814.466   70.811  863.830   99.235   28.824   1.2655   29.558   1.7295 -0.7340870 2.143071 
1 1 1   -1   61   10 o   13.817   2.2074  199.586   55.567  190.697   68.476  216.725   95.087   13.490   2.7090   14.143   3.4859 -0.6522484 4.414746 
1 1 1   -1   61   11 o   20.192   1.6090  410.233   58.983  410.513   71.849  409.654  103.294   20.330   1.8206   20.054   2.6535 0.2765045 3.218003 
1 1 1   -1   61   12 o   6.1070   2.0369 -77.6917   55.362 -92.6674   65.720 -41.0950  102.737   4.8759   2.3478   7.3381   3.3291 -2.462185 4.073708 
1 1 1   -1   61   13 o   19.333   1.7297  387.439   58.994  397.239   70.796  365.172  106.714   19.948   1.8283   18.719   2.9368 1.228548 3.459406 
1 1 1   -1   61   14 o   26.036   1.3892  701.689   63.305  732.406   75.897  631.461  114.761   27.210   1.4369   24.861   2.3780 2.348532 2.778382 
1 1 1   -1   61   15 o   9.7560   2.4836   93.754   56.374   92.303   66.766   97.356  105.216   9.3863   3.1279   10.126   3.8586 -0.7392817 4.967193 
1 1 1   -1   61   16 o   14.504   2.1744  269.660   53.887  311.618   62.532  148.604  106.216   17.574   1.8331   11.434   3.9436 6.139406 4.348774 
1 1 1   -1   62    1 o   11.840   2.8151  146.917   63.753  146.917   63.753   0.0000   0.0000   11.840   2.8151  ?   ?       ?      ? 
1 1 1   -1   62    2 f   26.670   1.3409  696.800   69.420  696.800   69.420   0.0000   0.0000   26.670   1.3409  ?   ?       ?      ? 
1 1 1   -1   62    3 o   9.6908   3.0485   95.428   63.957   95.428   63.957   0.0000   0.0000   9.6908   3.0485  ?   ?       ?      ? 
1 1 1   -1   62    4 o   12.166   2.7951  155.400   64.625  155.400   64.625   0.0000   0.0000   12.166   2.7951  ?   ?       ?      ? 
1 1 1   -1   62    5 o   17.406   2.0028  300.929   67.670  300.929   67.670   0.0000   0.0000   17.406   2.0028  ?   ?       ?      ? 
1 1 1   -1   62    6 o   7.0835   2.9316   18.666   65.790   18.666   65.790   0.0000   0.0000   7.0835   2.9316  ?   ?       ?      ? 
1 1 1   -1   62    7 f   20.010   1.7941  396.421   69.688  396.421   69.688   0.0000   0.0000   20.010   1.7941  ?   ?       ?      ? 
1 1 1   -1   62    8 o   5.7519   2.6550 -49.0612   69.221 -49.0612   69.221   0.0000   0.0000   5.7519   2.6550  ?   ?       ?      ? 
1 1 1   -1   62    9 o   29.784   1.3093  871.000   75.701  871.000   75.701   0.0000   0.0000   29.784   1.3093  ?   ?       ?      ? 
1 1 1   -1   62   10 o   12.861   1.9570  218.788   56.282  325.174   67.720 -18.7987  101.202   18.056   1.9322   7.6669   3.4039 10.38868 3.914089 
1 1 1   -1   62   11 o   7.3293   2.2441   6.4493   55.726   19.219   66.424 -23.8974  102.397   7.0653   2.9367   7.5933   3.3941 -0.5279818 4.488199 
1 1 1   -1   62   12 o   19.543   1.6653  395.777   59.282  411.563   73.301  365.927  100.796   20.287   1.8613   18.800   2.7621 1.487356 3.330696 
1 1 1   -1   62   13 o   15.782   2.1182  264.959   57.653  263.284   68.452  269.049  106.945   16.110   2.1890   15.455   3.6270 0.6542950 4.236346 
1 1 1   -1   62   14 o   10.266   2.4102  117.086   60.901  158.687   72.970   21.588  110.557   11.975   3.1110   8.5574   3.6822 3.417652 4.820474 
1 1 1   -1   62   15 o   12.932   2.3315  203.371   62.674  253.606   77.321  107.138  107.018   15.573   2.5578   10.292   3.8988 5.280866 4.662957 
1 1 1   -1   63    1 o   4.2211   2.0907 -144.8952   64.149 -144.8952   64.149   0.0000   0.0000   4.2211   2.0907  ?   ?       ?      ? 
1 1 1   -1   63    2 o   18.556   1.8055  340.903   65.034  340.903   65.034   0.0000   0.0000   18.556   1.8055  ?   ?       ?      ? 
1 1 1   -1   63    3 o   30.596   1.2377  917.243   73.511  917.243   73.511   0.0000   0.0000   30.596   1.2377  ?   ?       ?      ? 
1 1 1   -1   63    4 o   39.835   1.0549  1550.83   81.572  1550.83   81.572   0.0000   0.0000   39.835   1.0549  ?   ?       ?      ? 
1 1 1   -1   63    5 o   26.953   1.3109  712.680   68.587  712.680   68.587   0.0000   0.0000   26.953   1.3109  ?   ?       ?      ? 
1 1 1   -1   63    6 o   26.003   1.3833  664.300   69.824  664.300   69.824   0.0000   0.0000   26.003   1.3833  ?   ?       ?      ? 
1 1 1   -1   63    7 o   33.017   1.1735  1068.01   75.215  1068.01   75.215   0.0000   0.0000   33.017   1.1735  ?   ?       ?      ? 
1 1 1   -1   63    8 o   10.394   2.9906  114.712   63.586  114.712   63.586   0.0000   0.0000   10.394   2.9906  ?   ?       ?      ? 
1 1 1   -1   63    9 o   17.598   2.0002  310.037   68.328  310.037   68.328   0.0000   0.0000   17.598   2.0002  ?   ?       ?      ? 
1 1 1   -1   63   10 o   17.260   1.9657  323.316   57.589  341.507   69.343  282.882  103.385   18.469   1.9342   16.051   3.4226 2.417839 3.931354 
1 1 1   -1   63   11 o   10.836   2.4524  125.290   55.082  127.091   64.950  120.677  103.947   10.832   2.9906   10.839   3.8876 -0.7230759E-02 4.904784 
1 1 1   -1   63   12 o   10.938   2.5249  125.467   58.875  114.409   71.795  148.170  102.872   10.294   3.2285   11.582   3.8828 -1.288383 5.049706 
1 1 1   -1   63   13 o   7.2572   2.2788  -9.4359   60.019 -14.8145   72.731   2.0460  106.265   6.4619   2.8764   8.0526   3.5351 -1.590718 4.557528 
1 1 1   -1   63   14 o   7.9614   2.2921   30.962   61.291   84.251   73.667 -88.8986  110.482   9.1167   3.2724   6.8061   3.2103 2.310618 4.584194 
1 1 1   -1   64    1 o   28.488   1.3162  796.428   72.786  796.428   72.786   0.0000   0.0000   28.488   1.3162  ?   ?       ?      ? 
1 1 1   -1   64    2 o   6.3693   2.7952 -10.6262   66.390 -10.6262   66.390   0.0000   0.0000   6.3693   2.7952  ?   ?       ?      ? 
1 1 1   -1   64    3 o   6.6812   2.8136   10.303   62.190   10.303   62.190   0.0000   0.0000   6.6812   2.8136  ?   ?       ?      ? 
1 1 1   -1   64    4 o   17.625   1.9463  309.315   66.589  309.315   66.589   0.0000   0.0000   17.625   1.9463  ?   ?       ?      ? 
1 1 1   -1   64    5 o   21.131   1.6663  441.982   68.350  441.982   68.350   0.0000   0.0000   21.131   1.6663  ?   ?       ?      ? 
1 1 1   -1   64    6 f   23.605   1.5764  550.897   72.233  550.897   72.233   0.0000   0.0000   23.605   1.5764  ?   ?       ?      ? 
1 1 1   -1   64    7 o   12.355   3.0082  164.514   71.471  164.514   71.471   0.0000   0.0000   12.355   3.0082  ?   ?       ?      ? 
1 1 1   -1   64    8 o   16.258   2.1914  266.852   69.160  266.852   69.160   0.0000   0.0000   16.258   2.1914  ?   ?       ?      ? 
1 1 1   -1   64    9 o   20.656   1.7913  425.871   71.826  425.871   71.826   0.0000   0.0000   20.656   1.7913  ?   ?       ?      ? 
1 1 1   -1   64   10 o   17.503   1.7117  296.816   55.595  260.026   67.726  372.825   97.347   16.016   2.1784   18.989   2.6409 -2.973171 3.423379 
1 1 1   -1   64   11 o   8.1787   2.3894   17.851   56.462 -10.3853   66.221   93.038  108.060   6.2748   2.7712   10.083   3.8933 -3.807878 4.778828 
1 1 1   -1   64   12 o   8.3190   2.3963   35.900   57.399   13.648   69.300   84.522  102.440   6.9456   2.9499   9.6924   3.7772 -2.746788 4.792639 
1 1 1   -1   64   13 o   7.0070   2.2262 -14.9303   60.985   4.7201   73.645 -57.8101  108.788   6.8777   2.9822   7.1362   3.3061 -0.2584834 4.452409 
1 1 1   -1   65    1 o   6.5251   2.8416  -4.8062   67.448  -4.8062   67.448   0.0000   0.0000   6.5251   2.8416  ?   ?       ?      ? 
1 1 1   -1   65    2 o   48.559   1.0013  2306.09   94.381  2306.09   94.381   0.0000   0.0000   48.559   1.0013  ?   ?       ?      ? 
1 1 1   -1   65    3 o   33.326   1.1754  1089.50   76.038  1089.50   76.038   0.0000   0.0000   33.326   1.1754  ?   ?       ?      ? 
1 1 1   -1   65    4 o   31.740   1.2318  989.608   75.895  989.608   75.895   0.0000   0.0000   31.740   1.2318  ?   ?       ?      ? 
1 1 1   -1   65    5 o   31.038   1.2059  946.230   72.656  946.230   72.656   0.0000   0.0000   31.038   1.2059  ?   ?       ?      ? 
1 1 1   -1   65    6 o   13.526   2.6434  193.579   66.915  193.579   66.915   0.0000   0.0000   13.526   2.6434  ?   ?       ?      ? 
1 1 1   -1   65    7 o   12.017   2.9180  156.202   67.387  156.202   67.387   0.0000   0.0000   12.017   2.9180  ?   ?       ?      ? 
1 1 1   -1   65    8 o   17.959   1.8893  323.432   65.865  323.432   65.865   0.0000   0.0000   17.959   1.8893  ?   ?       ?      ? 
1 1 1   -1   65    9 o   16.328   2.2104  271.213   70.060  271.213   70.060   0.0000   0.0000   16.328   2.2104  ?   ?       ?      ? 
1 1 1   -1   65   10 o   14.948   2.4417  230.600   70.852  230.600   70.852   0.0000   0.0000   14.948   2.4417  ?   ?       ?      ? 
1 1 1   -1   65   11 o   10.834   2.5034  126.258   56.958  119.097   67.806  143.423  104.976   10.377   3.1161   11.291   3.9190 -0.9140673 5.006829 
1 1 1   -1   65   12 o   7.2949   2.1727  -3.8006   60.521   70.772   74.784 -145.3314  103.025   8.6864   3.2663   5.9035   2.8658 2.782833 4.345311 
1 1 1   -1   66    1 o   35.328   1.1830  1225.83   81.124  1225.83   81.124   0.0000   0.0000   35.328   1.1830  ?   ?       ?      ? 
1 1 1   -1   66    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   -1   66    3 o   14.073   2.6804  209.889   70.548  209.889   70.548   0.0000   0.0000   14.073   2.6804  ?   ?       ?      ? 
1 1 1   -1   66    4 o   16.942   2.1986  290.604   72.305  290.604   72.305   0.0000   0.0000   16.942   2.1986  ?   ?       ?      ? 
1 1 1   -1   66    5 o   15.499   2.3851  245.333   71.761  245.333   71.761   0.0000   0.0000   15.499   2.3851  ?   ?       ?      ? 
1 1 1   -1   66    6 o   10.070   3.2344  108.219   71.704  108.219   71.704   0.0000   0.0000   10.070   3.2344  ?   ?       ?      ? 
1 1 1   -1   66    7 o   5.3025   2.5098 -70.5446   68.609 -70.5446   68.609   0.0000   0.0000   5.3025   2.5098  ?   ?       ?      ? 
1 1 1   -1   66    8 o   12.073   2.9333  159.755   68.067  159.755   68.067   0.0000   0.0000   12.073   2.9333  ?   ?       ?      ? 
1 1 1   -1   66    9 o   12.337   2.9648  168.064   70.121  168.064   70.121   0.0000   0.0000   12.337   2.9648  ?   ?       ?      ? 
1 1 1   -1   66   10 o   22.927   1.6828  527.662   74.894  527.662   74.894   0.0000   0.0000   22.927   1.6828  ?   ?       ?      ? 
1 1 1   -1   67    1 o   8.9201   3.1962   76.997   70.247   76.997   70.247   0.0000   0.0000   8.9201   3.1962  ?   ?       ?      ? 
1 1 1   -1   67    2 o   14.653   2.6157  227.451   71.672  227.451   71.672   0.0000   0.0000   14.653   2.6157  ?   ?       ?      ? 
1 1 1   -1   67    3 o   9.3235   3.2091   88.730   70.319   88.730   70.319   0.0000   0.0000   9.3235   3.2091  ?   ?       ?      ? 
1 1 1   -1   67    4 o   18.605   2.0803  350.573   75.134  350.573   75.134   0.0000   0.0000   18.605   2.0803  ?   ?       ?      ? 
1 1 1   -1   67    5 o   6.9148   2.9076   16.422   66.252   16.422   66.252   0.0000   0.0000   6.9148   2.9076  ?   ?       ?      ? 
1 1 1   -1   67    6 o   10.955   2.9621  131.984   64.503  131.984   64.503   0.0000   0.0000   10.955   2.9621  ?   ?       ?      ? 
1 1 1   -1   67    7 o   8.1267   3.0761   58.336   66.584   58.336   66.584   0.0000   0.0000   8.1267   3.0761  ?   ?       ?      ? 
1 1 1   -1   67    8 o   11.414   3.1980  146.794   73.690  146.794   73.690   0.0000   0.0000   11.414   3.1980  ?   ?       ?      ? 
1 1 1   -1   68    1 o   13.934   2.7138  209.094   70.766  209.094   70.766   0.0000   0.0000   13.934   2.7138  ?   ?       ?      ? 
1 1 1   -1   68    2 o   6.6567   2.9112  -2.5528   71.459  -2.5528   71.459   0.0000   0.0000   6.6567   2.9112  ?   ?       ?      ? 
1 1 1   -1   68    3 o   12.551   2.9218  173.275   69.852  173.275   69.852   0.0000   0.0000   12.551   2.9218  ?   ?       ?      ? 
1 1 1   -1   68    4 o   15.115   2.4496  237.257   71.875  237.257   71.875   0.0000   0.0000   15.115   2.4496  ?   ?       ?      ? 
1 1 1   -1   68    5 o   10.747   3.1535  129.060   70.084  129.060   70.084   0.0000   0.0000   10.747   3.1535  ?   ?       ?      ? 
1 1 1   -1   68    6 o   14.984   2.4378  233.725   70.904  233.725   70.904   0.0000   0.0000   14.984   2.4378  ?   ?       ?      ? 
1 1 1   -1   69    1 o   15.363   2.3929  245.135   71.362  245.135   71.362   0.0000   0.0000   15.363   2.3929  ?   ?       ?      ? 
1 1 1   -1   69    2 o   10.727   3.2439  129.178   73.293  129.178   73.293   0.0000   0.0000   10.727   3.2439  ?   ?       ?      ? 
1 1 1    0    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    2 o  176.302   1.6170 30188.99  553.135 29741.59  778.438 30645.26  786.119  174.982   2.2926  177.623   2.2808 -0.000000 0.000000 
1 1 1    0    0    3 o  276.566   1.7066 74243.91  915.827 75748.09  1313.29 72819.96  1277.79  279.292   2.4228  273.841   2.4042 -0.000000 0.000000 
1 1 1    0    0    4 o  168.773   1.2846 27660.96  420.752 27640.13  596.568 27681.57  593.509  168.710   1.8221  168.837   1.8114 -0.000000 0.000000 
1 1 1    0    0    5 o  601.244   2.1623 350975.00  2523.49 351397.41  3574.74 350555.41  3562.81  601.604   3.0612  600.883   3.0547 -0.000000 0.000000 
1 1 1    0    0    6 o  248.345   1.7183 59888.22  828.190 60154.18  1173.23 59624.05  1169.26  248.895   2.4288  247.795   2.4313 -0.000000 0.000000 
1 1 1    0    0    7 o   42.557   0.5476  1759.25   45.195  1715.23   63.449  1804.58   64.391   42.016   0.7785   43.098   0.7702 -0.000000 0.000000 
1 1 1    0    0    8 o  249.336   1.7365 60715.25  819.964 58834.11  1300.88 61955.29  1056.19  246.092   2.7239  252.580   2.1545 -0.000000 0.000000 
1 1 1    0    0    9 f  115.122   1.0904 12872.61  243.567 12841.50  343.795 12903.96  345.121  114.982   1.5409  115.262   1.5431 -0.000000 0.000000 
1 1 1    0    0   10 o  107.069   1.0278 11134.38  213.517 11042.98  301.530 11226.32  302.389  106.628   1.4574  107.510   1.4495 -0.000000 0.000000 
1 1 1    0    0   11 o   89.927   0.9395  7846.64  163.825  7622.33  226.909  8090.88  236.773   88.586   1.3202   91.269   1.3371 -0.000000 0.000000 
1 1 1    0    0   12 o  261.827   1.5985 66502.70  811.909 64695.40  1126.31 68457.74  1171.44  258.127   2.2482  265.527   2.2731 -0.000000 0.000000 
1 1 1    0    0   13 o  144.406   1.2803 20251.50  358.747 20458.43  507.910 20045.48  506.783  145.142   1.8033  143.669   1.8178 -0.000000 0.000000 
1 1 1    0    0   14 o   81.419   0.9253  6439.79  146.148  6407.18  207.476  6471.92  205.902   81.214   1.3168   81.624   1.3002 -0.000000 0.000000 
1 1 1    0    0   15 o  168.831   1.3848 27680.35  453.683 27847.15  643.765 27515.78  639.467  169.336   1.9590  168.325   1.9577 -0.000000 0.000000 
1 1 1    0    0   16 o  383.068   1.8635 142487.80  1385.49 142037.50  1948.35 142948.50  1970.59  382.456   2.6246  383.680   2.6461 -0.000000 0.000000 
1 1 1    0    0   17 o   67.374   0.9111  4407.72  119.019  4273.62  165.643  4550.84  171.127   66.315   1.2879   68.434   1.2892 -0.000000 0.000000 
1 1 1    0    0   18 o   55.100   0.8553  2951.23   91.378  2929.30  128.569  2973.61  129.897   54.893   1.2079   55.307   1.2112 -0.000000 0.000000 
1 1 1    0    0   19 o   41.656   0.9267  1696.05   74.456  1794.51  102.867  1587.70  107.907   42.942   1.2364   40.370   1.3806 -0.000000 0.000000 
1 1 1    0    0   20 o   83.340   1.0334  6747.61  166.982  6683.67  232.060  6816.26  240.460   82.932   1.4425   83.749   1.4802 -0.000000 0.000000 
1 1 1    0    0   21 o   74.838   1.0266  5439.29  148.942  5668.33  214.307  5225.30  207.146   76.363   1.4469   73.313   1.4569 -0.000000 0.000000 
1 1 1    0    0   22 f   64.339   1.0285  4026.33  128.270  4040.13  179.499  4011.93  183.365   64.454   1.4363   64.225   1.4725 -0.000000 0.000000 
1 1 1    0    0   23 o  157.583   1.5172 24149.03  463.911 24055.00  654.901 24243.74  657.243  157.275   2.1460  157.892   2.1453 -0.000000 0.000000 
1 1 1    0    0   24 f   48.674   1.0306  2303.62   97.081  2451.74  140.230  2167.29  134.534   50.180   1.4423   47.168   1.4726 -0.000000 0.000000 
1 1 1    0    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   26 o  123.195   1.5736 14778.92  376.043 14743.78  532.454 14813.90  531.159  123.048   2.2308  123.342   2.2201 -0.000000 0.000000 
1 1 1    0    0   27 o   39.420   1.2210  1516.82   92.868  1562.30  136.020  1477.11  127.104   39.970   1.7609   38.870   1.6918 -0.000000 0.000000 
1 1 1    0    0   28 o   45.762   1.1900  2044.60  105.377  2073.99  150.268  2016.17  147.812   46.087   1.6848   45.438   1.6810 -0.000000 0.000000 
1 1 1    0    0   29 o   41.171   1.2602  1657.38  100.207  1732.42  145.166  1589.08  138.499   42.064   1.7851   40.278   1.7793 -0.000000 0.000000 
1 1 1    0    0   30 o   9.5453   3.1132   82.466   84.543  250.990  124.688 -60.9405  115.021   13.744   5.0538   5.3468   3.6369 -0.000000 0.000000 
1 1 1    0    0   31 o   11.731   3.4473  197.370   82.546  145.392  121.985  241.276  112.113   9.8409   5.0392   13.622   4.7057 -0.000000 0.000000 
1 1 1    0    0   32 o   30.711   1.5547  946.516   91.090  856.495  130.243  1032.71  127.445   29.199   2.3321   32.223   2.0567 -0.000000 0.000000 
1 1 1    0    0   33 o   8.7698   3.4520  114.410   88.659   84.937  131.143  139.218  120.321   8.0876   4.8007   9.4520   4.9618 -0.000000 0.000000 
1 1 1    0    0   34 f   7.7523   3.2153   75.053   87.080   2.9710  135.008  126.404  113.951   6.5606   4.2911   8.9440   4.7894 -0.000000 0.000000 
1 1 1    0    0   35 o   18.870   3.1144  465.299   96.674  271.391  141.868  633.399  132.091   13.248   5.5215   24.492   2.8831 -0.000000 0.000000 
1 1 1    0    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    2 o  260.075   1.9548 64822.00  844.688 67404.87  1735.39 64020.08  966.965  263.373   3.3944  256.777   1.9399 6.595856 3.909631 
1 1 1    0    1    3 o  115.858   0.8224 13061.67  182.847 13247.69  241.987 12814.14  279.144  116.823   1.0671  114.893   1.2516 1.929886 1.644746 
1 1 1    0    1    4 o  377.277   1.3962 138156.70  1011.45 138528.50  1549.65 137880.80  1335.03  377.709   2.1135  376.846   1.8250 0.8632813 2.792429 
1 1 1    0    1    5 o  427.875   1.3452 177715.20  1117.21 176869.59  1569.63 178583.59  1590.54  426.843   1.8944  428.906   1.9104 -2.062531 2.690372 
1 1 1    0    1    6 o  320.147   1.2616 99471.10  783.898 100802.90  1122.27 98202.25  1095.41  322.239   1.7941  318.056   1.7742 4.183289 2.523255 
1 1 1    0    1    7 o  285.424   1.2470 79090.33  690.925 79146.68  978.115 79034.19  976.119  285.526   1.7647  285.323   1.7624 0.2028809 2.494052 
1 1 1    0    1    8 o  235.795   1.0547 53981.31  482.736 53757.61  681.128 54207.08  684.266  235.304   1.4912  236.286   1.4918 -0.9816132 2.109323 
1 1 1    0    1    9 o  147.183   0.8742 21030.40  249.760 20895.56  352.322 21166.62  354.114  146.708   1.2371  147.657   1.2354 -0.9485474 1.748384 
1 1 1    0    1   10 o  143.272   0.8630 19927.48  240.022 19922.69  339.626 19932.26  339.259  143.255   1.2213  143.290   1.2197 -0.3443909E-01 1.726052 
1 1 1    0    1   11 o  107.773   0.7792 11264.26  162.773 11097.76  223.374 11452.78  237.685  106.925   1.0762  108.621   1.1273 -1.696236 1.558491 
1 1 1    0    1   12 o  364.010   1.2879 128632.00  910.004 128155.80  1283.01 129114.10  1290.91  363.332   1.8191  364.688   1.8235 -1.355713 2.575728 
1 1 1    0    1   13 o  116.550   0.7940 13179.26  179.605 12873.85  250.799 13500.78  257.327  115.164   1.1219  117.935   1.1240 -2.770790 1.588090 
1 1 1    0    1   14 o  102.263   0.7580 10149.77  150.459 10273.05  214.167 10029.64  211.421  102.876   1.0724  101.650   1.0715 1.226105 1.515972 
1 1 1    0    1   15 o  115.327   0.8192 12908.69  183.383 13089.22  261.214 12733.24  257.512  116.122   1.1588  114.532   1.1583 1.589935 1.638427 
1 1 1    0    1   16 o  149.493   0.9417 21694.27  273.283 21556.95  385.734 21832.66  387.231  149.018   1.3335  149.968   1.3302 -0.9499817 1.883477 
1 1 1    0    1   17 o  179.986   1.0215 31451.06  356.905 31507.45  504.932 31394.77  504.548  180.147   1.4439  179.825   1.4454 0.3224640 2.043052 
1 1 1    0    1   18 o   69.600   0.6434  4701.60   86.908  4750.25  124.172  4654.87  121.679   69.953   0.9144   69.247   0.9052 0.7057724 1.286706 
1 1 1    0    1   19 o   83.261   0.7585  6730.62  122.570  6748.33  171.887  6712.30  174.830   83.372   1.0621   83.149   1.0832 0.2232971 1.516981 
1 1 1    0    1   20 o   41.236   0.6837  1649.46   54.698  1696.26   78.901  1606.16   75.894   41.799   0.9724   40.674   0.9612 1.125065 1.367328 
1 1 1    0    1   21 o  227.027   1.1884 50084.46  523.726 50220.63  743.188 49950.13  738.159  227.333   1.6841  226.721   1.6772 0.6119537 2.376837 
1 1 1    0    1   22 o  126.612   0.9324 15572.34  229.161 15584.76  325.639 15560.15  322.549  126.662   1.3244  126.563   1.3129 0.9910583E-01 1.864868 
1 1 1    0    1   23 o  178.989   1.2281 31160.79  425.583 31026.97  624.196 31277.03  581.771  178.618   1.8002  179.361   1.6709 -0.7427673 2.456195 
1 1 1    0    1   24 o  106.771   0.9632 11073.59  199.475 11195.85  288.715 10961.92  275.921  107.333   1.3857  106.210   1.3383 1.122665 1.926462 
1 1 1    0    1   25 o   44.159   0.9556  1928.85   77.504  1788.83  130.593  2004.98   96.295   42.889   1.5686   45.429   1.0920 -2.540108 1.911255 
1 1 1    0    1   26 o   68.472   0.9562  4569.67  119.868  4523.54  206.885  4592.98  147.069   68.191   1.5629   68.752   1.1020 -0.5605087 1.912337 
1 1 1    0    1   27 o   47.662   0.7926  2208.16   73.326  2233.32  103.508  2182.81  103.892   47.935   1.1124   47.389   1.1294 0.5461731 1.585198 
1 1 1    0    1   28 o  108.104   1.0085 11376.10  211.631 11367.00  298.566 11385.29  300.021  108.061   1.4233  108.146   1.4291 -0.8563232E-01 2.017005 
1 1 1    0    1   29 o   48.664   0.8368  2303.77   78.997  2263.03  109.373  2348.20  114.223   48.216   1.1686   49.111   1.1981 -0.8951416 1.673646 
1 1 1    0    1   30 o   21.559   1.5013  457.587   62.314  384.483   86.602  536.071   89.731   19.753   2.2586   23.365   1.9784 -3.612032 3.002514 
1 1 1    0    1   31 o   30.556   1.0845  915.031   64.325  904.310   90.603  925.928   91.339   30.375   1.5366   30.737   1.5308 -0.3620415 2.168982 
1 1 1    0    1   32 o   37.789   0.9291  1400.45   68.137  1356.33   95.863  1445.49   96.866   37.184   1.3281   38.395   1.2997 -1.211300 1.858225 
1 1 1    0    1   33 o   29.467   1.1787  861.245   67.285  922.827   95.123  799.580   95.188   30.545   1.6043   28.390   1.7272 2.155027 2.357346 
1 1 1    0    1   34 o   31.499   1.1323  986.530   69.153  927.959   97.309  1046.29   98.294   30.536   1.6416   32.463   1.5598 -1.927616 2.264503 
1 1 1    0    1   35 o   11.866   2.6514  160.557   68.773  128.568   92.894  199.356  102.305   10.739   3.6889   12.994   3.8093 -2.254925 5.302720 
1 1 1    0    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    1 o  131.540   2.2281 16803.04  568.919 16803.04  568.919   0.0000   0.0000  131.540   2.2281  ?   ?       ?      ? 
1 1 1    0    2    2 o  319.813   1.2323 99288.01  764.980 100278.30  1091.24 98331.09  1072.68  321.380   1.7492  318.245   1.7364 3.134888 2.464689 
1 1 1    0    2    3 o  197.600   1.4206 37638.68  512.873 38716.30  897.453 37116.07  624.983  199.672   2.3154  195.527   1.6466 4.145172 2.841220 
1 1 1    0    2    4 o   87.596   0.6370  7450.43  108.249  7523.78  150.861  7372.59  155.415   88.041   0.8827   87.152   0.9187 0.8893814 1.274023 
1 1 1    0    2    5 o  418.170   1.3360 169727.20  1084.35 171147.50  1549.54 168364.30  1517.95  419.884   1.9011  416.456   1.8777 3.427124 2.672073 
1 1 1    0    2    6 f  380.590   1.3117 140606.30  969.012 141529.00  1380.38 139709.70  1360.61  381.821   1.8624  379.360   1.8476 2.461334 2.623420 
1 1 1    0    2    7 o   88.080   0.6326  7530.35  108.157  7469.44  152.739  7591.62  153.177   87.723   0.8970   88.437   0.8923 -0.7146225 1.265174 
1 1 1    0    2    8 o   45.573   0.4164  2013.18   36.816  1932.06   50.983  2101.57   53.221   44.615   0.5887   46.531   0.5892 -1.916065 0.8328968 
1 1 1    0    2    9 o  120.579   0.7947 14114.08  185.999 14062.20  261.751 14167.00  264.354  120.355   1.1204  120.803   1.1273 -0.4474869 1.589352 
1 1 1    0    2   10 o  123.801   0.7944 14878.63  190.906 15016.71  270.166 14740.94  269.798  124.374   1.1190  123.227   1.1279 1.147484 1.588815 
1 1 1    0    2   11 o  198.676   1.0145 38317.60  391.260 38061.09  552.191 38576.23  554.466  198.008   1.4366  199.344   1.4329 -1.335571 2.029034 
1 1 1    0    2   12 o  252.690   1.1102 61983.93  544.562 62142.07  770.955 61826.46  769.303  253.012   1.5697  252.368   1.5704 0.6433258 2.220371 
1 1 1    0    2   13 o  361.135   1.3216 126679.20  923.246 127431.80  1256.36 125795.60  1361.28  362.305   1.7864  359.964   1.9482 2.340759 2.643187 
1 1 1    0    2   14 o  164.691   1.0330 26305.30  326.305 26172.24  428.988 26487.99  502.645  164.200   1.3459  165.183   1.5676 -0.9833221 2.066090 
1 1 1    0    2   15 o  254.061   1.1485 62658.04  566.401 62062.72  796.474 63267.11  805.628  252.841   1.6228  255.282   1.6257 -2.441406 2.297045 
1 1 1    0    2   16 f  228.218   1.1244 50559.12  498.105 51180.50  708.210 49950.84  700.704  229.605   1.5890  226.830   1.5914 2.775101 2.248831 
1 1 1    0    2   17 o   84.744   0.7163  6968.36  117.808  7098.97  168.956  6844.77  164.349   85.516   1.0178   83.971   1.0083 1.544922 1.432649 
1 1 1    0    2   18 o   75.372   0.6843  5515.52  100.091  5547.88  140.250  5481.93  142.888   75.597   0.9557   75.146   0.9795 0.4510803 1.368543 
1 1 1    0    2   19 o   92.093   0.7578  8229.24  135.437  8046.78  188.680  8423.19  194.527   91.041   1.0676   93.145   1.0759 -2.104767 1.515692 
1 1 1    0    2   20 o  128.507   0.9154 16035.39  228.327 16258.52  324.533 15816.68  321.299  129.392   1.2921  127.621   1.2969 1.770554 1.830711 
1 1 1    0    2   21 o   96.670   0.8431  9075.08  158.202  8964.31  222.692  9187.94  224.787   96.075   1.1941   97.266   1.1905 -1.191162 1.686178 
1 1 1    0    2   22 o  174.771   1.1594 29684.98  393.329 29531.82  554.652 29839.93  557.865  174.318   1.6391  175.225   1.6401 -0.9068451 2.318760 
1 1 1    0    2   23 o   89.789   0.8056  7831.44  140.361  7577.36  197.815  8089.08  199.194   88.321   1.1538   91.257   1.1245 -2.935432 1.611108 
1 1 1    0    2   24 o   86.738   0.7993  7307.70  134.572  7256.98  188.845  7360.02  191.817   86.432   1.1256   87.043   1.1352 -0.6108246 1.598637 
1 1 1    0    2   25 o   54.029   0.7418  2836.27   77.785  2782.91  110.323  2889.02  109.689   53.523   1.0618   54.535   1.0362 -1.011990 1.483622 
1 1 1    0    2   26 o  146.769   1.2958 20973.05  369.176 20981.50  522.180 20964.62  522.007  146.799   1.8325  146.740   1.8326 0.5911255E-01 2.591569 
1 1 1    0    2   27 o   31.562   1.0033  969.922   61.405  945.391   88.177  993.021   85.562   31.172   1.4572   31.952   1.3795 -0.7795601 2.006603 
1 1 1    0    2   28 o   58.926   0.7885  3376.28   90.197  3346.37  127.468  3406.28  127.646   58.664   1.1193   59.188   1.1110 -0.5236053 1.577096 
1 1 1    0    2   29 o   91.830   0.9096  8211.47  162.115  8062.13  226.873  8367.28  231.735   90.978   1.2846   92.683   1.2880 -1.704895 1.819160 
1 1 1    0    2   30 o   38.501   0.9374  1443.85   69.977  1547.50  101.100  1348.54   96.954   39.828   1.3077   37.174   1.3436 2.653580 1.874889 
1 1 1    0    2   31 o   38.653   0.9186  1460.55   68.912  1486.88   97.284  1434.04   97.629   39.006   1.2848   38.300   1.3131 0.7051620 1.837162 
1 1 1    0    2   32 o   34.536   1.0032  1171.86   67.246  1195.92   95.361  1148.06   94.842   34.892   1.4079   34.181   1.4294 0.7115364 2.006341 
1 1 1    0    2   33 o   10.943   2.5109  123.299   62.484  164.291   89.778   84.791   87.016   12.267   3.5606   9.6192   3.5413 2.648249 5.021793 
1 1 1    0    2   34 o   13.588   2.3706  205.554   63.951  274.326   91.286  139.273   89.618   15.910   3.0669   11.265   3.6157 4.645043 4.741265 
1 1 1    0    2   35 o   10.441   2.6556  117.708   68.618  117.715   95.008  117.701   99.209   10.422   3.7189   10.461   3.7918 -0.3888607E-01 5.311121 
1 1 1    0    3    1 o  157.529   1.5930 24098.07  487.083 24491.39  690.481 23708.48  687.210  158.809   2.2398  156.249   2.2657 2.559891 3.185949 
1 1 1    0    3    2 o  217.804   1.4252 45699.12  565.931 45024.11  688.064 47110.68  995.011  215.352   1.6459  220.256   2.3272 -4.904587 2.850444 
1 1 1    0    3    3 o  130.249   0.8021 16461.78  202.772 16086.41  283.735 16853.62  289.891  128.732   1.1354  131.766   1.1334 -3.034042 1.604281 
1 1 1    0    3    4 o  111.092   0.8450 12049.69  176.936 11682.41  284.545 12281.23  225.926  109.702   1.3362  112.482   1.0347 -2.779846 1.689983 
1 1 1    0    3    5 o  234.521   1.1546 53409.80  523.951 53650.07  713.997 53129.43  771.268  235.094   1.5646  233.948   1.6983 1.145966 2.309138 
1 1 1    0    3    6 o  298.330   1.2482 86399.68  722.826 86238.17  1021.09 86561.90  1023.37  298.050   1.7649  298.609   1.7655 -0.5588989 2.496333 
1 1 1    0    3    7 o  225.216   1.0737 49283.09  468.338 49921.71  643.276 48562.77  683.185  226.771   1.4613  223.660   1.5736 3.111023 2.147452 
1 1 1    0    3    8 o   67.714   0.5390  4448.74   70.839  4345.41   98.971  4557.28  101.437   66.908   0.7620   68.520   0.7626 -1.611702 1.078093 
1 1 1    0    3    9 o  112.753   0.7609 12341.65  166.541 12336.61  235.237 12346.73  235.814  112.730   1.0750  112.776   1.0772 -0.4618835E-01 1.521801 
1 1 1    0    3   10 o  260.323   1.1055 65790.78  558.602 66437.88  794.836 65159.26  785.218  261.587   1.5653  259.058   1.5614 2.529144 2.210943 
1 1 1    0    3   11 o   43.617   0.5875  1845.23   49.724  1777.49   69.341  1916.94   71.343   42.793   0.8347   44.440   0.8270 -1.646919 1.175048 
1 1 1    0    3   12 o  481.815   1.4691 225377.50  1374.03 224842.80  1935.42 225920.91  1951.02  481.240   2.0718  482.391   2.0835 -1.151581 2.938263 
1 1 1    0    3   13 o   84.972   0.6664  7006.76  109.907  7094.13  157.098  6923.00  153.817   85.491   0.9466   84.453   0.9383 1.037445 1.332838 
1 1 1    0    3   14 o  302.602   1.2046 88892.50  707.575 89394.48  1004.20 88397.52  997.165  303.451   1.7048  301.754   1.7024 1.696747 2.409196 
1 1 1    0    3   15 o  208.758   1.0759 42306.33  435.977 42567.09  617.606 42047.31  615.529  209.399   1.5194  208.116   1.5236 1.282516 2.151743 
1 1 1    0    3   16 o  129.673   0.8793 16322.73  221.344 16255.88  312.055 16390.42  314.008  129.406   1.2423  129.941   1.2449 -0.5343781 1.758680 
1 1 1    0    3   17 o  275.114   1.2058 73487.56  643.916 73041.83  906.284 73941.96  915.048  274.272   1.7022  275.956   1.7082 -1.684387 2.411541 
1 1 1    0    3   18 o  148.407   0.9626 21384.46  277.300 21262.87  390.822 21507.73  393.514  147.982   1.3605  148.831   1.3621 -0.8495941 1.925164 
1 1 1    0    3   19 o  157.067   1.0917 23975.53  332.408 24337.83  460.319 23580.73  480.522  158.310   1.4979  155.823   1.5886 2.486938 2.183438 
1 1 1    0    3   20 o  109.425   0.8571 11626.26  181.889 11648.47  263.113 11605.93  251.725  109.524   1.2376  109.326   1.1861 0.1979752 1.714205 
1 1 1    0    3   21 o  129.169   0.9684 16205.96  242.820 16073.95  341.833 16340.41  344.988  128.638   1.3689  129.700   1.3702 -1.061737 1.936883 
1 1 1    0    3   22 o  120.728   0.9873 14159.85  231.373 14068.11  326.776 14252.08  327.648  120.335   1.3989  121.120   1.3936 -0.7846985 1.974589 
1 1 1    0    3   23 o   27.708   1.1776  718.188   59.566  828.589  106.946  668.536   71.721   29.186   1.8876   26.229   1.4086 2.957417 2.355291 
1 1 1    0    3   24 o   94.394   0.8523  8655.51  156.164  8738.92  222.642  8574.74  219.100   94.841   1.2093   93.947   1.2014 0.8945389 1.704667 
1 1 1    0    3   25 o   30.085   0.9794  880.343   57.162  846.651   81.046  913.694   80.634   29.511   1.4147   30.659   1.3548 -1.148216 1.958853 
1 1 1    0    3   26 o   32.407   0.9948  1020.46   62.554  981.178   87.249  1062.00   89.733   31.765   1.4150   33.048   1.3987 -1.283136 1.989627 
1 1 1    0    3   27 o   83.320   0.8466  6746.69  136.900  6586.36  191.725  6913.46  195.542   82.310   1.1999   84.330   1.1945 -2.019783 1.693151 
1 1 1    0    3   28 o   28.290   1.1469  779.188   62.913  832.035   90.245  729.220   87.752   29.224   1.5908   27.355   1.6525 1.869164 2.293791 
1 1 1    0    3   29 o   55.076   0.7980  2952.63   85.304  2885.11  120.619  3020.20  120.658   54.444   1.1413   55.708   1.1158 -1.263504 1.596097 
1 1 1    0    3   30 o   57.890   0.8031  3265.35   90.239  3319.09  127.893  3212.08  127.343   58.366   1.1288   57.414   1.1426 0.9512863 1.606153 
1 1 1    0    3   31 o   23.511   1.3856  546.962   63.017  505.942   90.353  585.815   87.935   22.630   2.0568   24.391   1.8573 -1.760412 2.771243 
1 1 1    0    3   32 o   10.724   2.5405  116.643   62.268  118.846   86.085  114.226   90.176   10.774   3.5499   10.674   3.6351 0.1000252 5.080907 
1 1 1    0    3   33 o   35.449   1.0129  1238.57   69.688  1213.93   98.606  1263.15   98.502   35.091   1.4476   35.807   1.4171 -0.7158966 2.025767 
1 1 1    0    3   34 o   22.430   1.5689  515.291   67.556  438.440   96.683  588.609   94.434   20.693   2.4069   24.166   2.0131 -3.473095 3.137761 
1 1 1    0    3   35 o   29.643   1.2276  884.335   70.553  828.470   99.087  941.783  100.480   28.666   1.7807   30.620   1.6905 -1.953991 2.455284 
1 1 1    0    4    0 o  147.043   2.2168 20993.49  632.703 20656.57  889.322 21338.80  900.332  145.848   3.1412  148.238   3.1288 -2.389221 4.433563 
1 1 1    0    4    1 o   93.065   0.9090  8398.01  164.112  8124.71  227.288  8695.68  237.209   91.485   1.2799   94.645   1.2911 -3.159882 1.817973 
1 1 1    0    4    2 f   88.207   0.8816  7549.13  150.910  7761.28  216.066  7347.06  210.868   89.416   1.2448   86.998   1.2486 2.418808 1.763143 
1 1 1    0    4    3 o  134.873   0.8804 17694.84  228.454 17377.20  345.304 17942.12  304.664  133.793   1.3295  135.953   1.1544 -2.160355 1.760794 
1 1 1    0    4    4 o  295.499   1.2312 84770.20  706.250 84752.04  998.269 84788.40  999.307  295.467   1.7405  295.531   1.7419 -0.6332397E-01 2.462449 
1 1 1    0    4    5 o  195.877   1.0622 37243.30  403.894 37036.07  570.658 37451.31  571.729  195.331   1.5050  196.423   1.4995 -1.092026 2.124479 
1 1 1    0    4    6 o  359.243   1.2955 125248.80  903.196 126962.10  1294.85 123625.20  1260.47  361.635   1.8445  356.852   1.8196 4.783051 2.590992 
1 1 1    0    4    7 o  163.272   0.9086 25876.62  287.954 26085.81  408.616 25670.24  405.855  163.928   1.2841  162.617   1.2857 1.311020 1.817123 
1 1 1    0    4    8 o   43.858   0.4094  1866.13   34.842  1906.97   49.981  1827.52   48.597   44.324   0.5809   43.391   0.5770 0.9332657 0.8187273 
1 1 1    0    4    9 o   95.284   0.6799  8812.23  125.744  8723.54  176.610  8903.42  179.073   94.798   0.9597   95.770   0.9632 -0.9723663 1.359751 
1 1 1    0    4   10 o  196.271   0.9972 37398.14  379.933 37605.83  539.472 37193.77  535.167  196.812   1.4121  195.731   1.4085 1.081116 1.994455 
1 1 1    0    4   11 o  137.185   0.8512 18268.09  226.680 18198.46  319.433 18338.72  321.727  136.922   1.2018  137.449   1.2058 -0.5265656 1.702462 
1 1 1    0    4   12 f  143.668   0.8994 20034.29  250.815 19867.41  352.995 20204.43  356.442  143.064   1.2711  144.272   1.2727 -1.208313 1.798753 
1 1 1    0    4   13 o  454.987   1.4564 200982.41  1286.34 201283.09  1822.64 200684.09  1815.70  455.326   2.0621  454.648   2.0573 0.6777344 2.912889 
1 1 1    0    4   14 o  134.179   0.8814 17475.56  229.559 17333.47  323.097 17620.42  326.215  133.628   1.2456  134.730   1.2473 -1.101501 1.762737 
1 1 1    0    4   15 o  103.547   0.7689 10402.86  154.508 10171.19  215.729 10646.87  221.394  102.363   1.0857  104.730   1.0890 -2.366241 1.537734 
1 1 1    0    4   16 o  178.128   1.0156 30801.92  351.152 31013.97  498.049 30592.30  495.172  178.738   1.4355  177.518   1.4370 1.219254 2.031113 
1 1 1    0    4   17 o  174.426   1.1075 29539.38  374.984 29506.02  527.785 29573.40  532.866  174.327   1.5597  174.525   1.5729 -0.1984100 2.215055 
1 1 1    0    4   18 o  132.387   0.9238 17021.39  237.153 16919.47  342.854 17114.89  328.383  132.006   1.3380  132.768   1.2742 -0.7625275 1.847615 
1 1 1    0    4   19 o  160.736   1.0819 25088.93  337.570 24945.70  475.317 25234.69  479.504  160.273   1.5278  161.199   1.5324 -0.9254303 2.163851 
1 1 1    0    4   20 o   28.179   0.8564  770.751   46.838  790.729   67.018  751.676   65.486   28.536   1.2099   27.822   1.2125 0.7136269 1.712896 
1 1 1    0    4   21 o  163.328   1.0434 25914.75  330.808 25697.79  466.551 26134.11  469.126  162.640   1.4778  164.016   1.4735 -1.375351 2.086837 
1 1 1    0    4   22 o  107.016   0.8507 11120.18  176.698 11357.36  252.286 10891.80  247.559  108.135   1.2019  105.896   1.2043 2.239677 1.701428 
1 1 1    0    4   23 o   81.741   0.7765  6488.28  123.193  6407.42  172.387  6572.67  176.115   81.221   1.0934   82.261   1.1029 -1.040131 1.553025 
1 1 1    0    4   24 o   92.734   0.8723  8354.58  156.973  8387.65  224.894  8323.15  219.204   92.912   1.2469   92.557   1.2200 0.3558578 1.744510 
1 1 1    0    4   25 f   26.167   1.1396  666.318   57.855  684.903   81.323  647.273   82.325   26.538   1.5787   25.796   1.6441 0.7415066 2.279268 
1 1 1    0    4   26 o   59.881   0.7667  3484.19   89.120  3477.27  126.630  3490.98  125.447   59.822   1.0905   59.940   1.0781 -0.1185379 1.533469 
1 1 1    0    4   27 o  113.392   1.0410 12510.48  229.133 12482.39  324.243 12538.50  323.845  113.265   1.4747  113.520   1.4696 -0.2552872 2.081954 
1 1 1    0    4   28 o   46.742   0.8283  2124.29   75.142  2079.48  105.276  2170.83  107.286   46.240   1.1729   47.245   1.1698 -1.004913 1.656545 
1 1 1    0    4   29 o   43.020   0.8672  1803.40   72.356  1769.45  103.975  1835.28  100.755   42.624   1.2566   43.417   1.1955 -0.7926712 1.734453 
1 1 1    0    4   30 o   71.152   0.8140  4933.38  112.432  4900.25  158.601  4966.85  159.409   70.911   1.1522   71.392   1.1503 -0.4807663 1.628087 
1 1 1    0    4   31 o   37.408   0.9618  1367.87   69.805  1312.33   97.311  1426.75  100.190   36.624   1.3688   38.191   1.3514 -1.567020 1.923511 
1 1 1    0    4   32 o   28.118   1.1908  783.544   64.610  686.290   91.309  881.071   91.436   26.334   1.7862   29.902   1.5753 -3.567924 2.381600 
1 1 1    0    4   33 o   11.256   2.5580  134.713   63.562  121.353   89.013  148.613   90.796   10.794   3.6118   11.718   3.6234 -0.9241953 5.116098 
1 1 1    0    4   34 o   41.351   0.9525  1690.28   76.352  1641.72  109.888  1735.59  106.163   40.754   1.3890   41.948   1.3038 -1.194126 1.905050 
1 1 1    0    4   35 o   26.067   1.3529  689.204   68.423  666.247   96.811  712.116   96.717   25.613   1.9472   26.520   1.8787 -0.9076290 2.705728 
1 1 1    0    5    1 o  229.985   1.6449 51363.26  734.334 51247.86  1034.70 51480.38  1042.35  229.725   2.3203  230.245   2.3322 -0.5199280 3.289788 
1 1 1    0    5    2 o  195.635   1.9962 37082.71  713.554 36901.59  871.497 37451.05  1242.86  194.937   2.3031  196.333   3.2611 -1.395569 3.992353 
1 1 1    0    5    3 o   63.339   0.6450  3896.63   79.250  4010.80  111.318  3779.29  112.852   64.281   0.8921   62.398   0.9317 1.883060 1.289933 
1 1 1    0    5    4 o  147.019   0.8504 20980.78  242.695 20946.95  343.232 21014.59  343.213  146.901   1.2036  147.138   1.2016 -0.2369995 1.700793 
1 1 1    0    5    5 o  265.553   1.2200 68453.55  628.876 68240.81  886.897 68668.68  891.853  265.138   1.7232  265.968   1.7274 -0.8298035 2.439960 
1 1 1    0    5    6 o  123.426   0.8745 14825.50  206.809 14543.95  317.534 15032.92  272.539  122.404   1.3364  124.447   1.1282 -2.042847 1.748913 
1 1 1    0    5    7 o  174.193   0.9355 29455.24  316.310 29323.64  446.127 29588.29  448.543  173.801   1.3223  174.584   1.3235 -0.7824860 1.870908 
1 1 1    0    5    8 o   93.511   0.6740  8483.35  122.306  8212.81  170.735  8768.51  175.290   91.980   0.9562   95.041   0.9501 -3.060974 1.348003 
1 1 1    0    5    9 o  156.258   0.8968 23704.06  272.024 23873.84  385.010 23534.82  384.391  156.817   1.2648  155.699   1.2718 1.117615 1.793646 
1 1 1    0    5   10 o  117.762   0.7842 13462.46  179.249 13356.95  253.685 13567.65  253.308  117.301   1.1141  118.223   1.1038 -0.9217377 1.568304 
1 1 1    0    5   11 f  447.891   1.4268 194769.41  1240.50 194435.30  1748.82 195107.70  1759.90  447.505   2.0132  448.277   2.0224 -0.7723999 2.853623 
1 1 1    0    5   12 o  207.665   1.0458 41859.69  421.555 42289.45  598.833 41437.49  593.540  208.722   1.4780  206.609   1.4799 2.113174 2.091554 
1 1 1    0    5   13 o   81.382   0.6656  6429.03  105.140  6353.15  148.893  6504.50  148.490   80.903   0.9481   81.861   0.9344 -0.9580688 1.331182 
1 1 1    0    5   14 o   95.549   0.7174  8859.69  133.041  8981.27  190.229  8743.29  186.134   96.191   1.0188   94.908   1.0103 1.282898 1.434798 
1 1 1    0    5   15 o  254.926   1.1560 63091.84  572.032 63097.93  808.142 63085.74  809.812  254.939   1.6330  254.914   1.6365 0.2476501E-01 2.311915 
1 1 1    0    5   16 o  213.531   1.0931 44264.52  453.070 44532.79  642.337 43998.91  639.152  214.175   1.5450  212.887   1.5466 1.287704 2.186124 
1 1 1    0    5   17 o  132.325   0.8886 16997.77  228.251 17158.18  324.105 16839.92  321.502  132.944   1.2559  131.705   1.2575 1.238785 1.777250 
1 1 1    0    5   18 o  111.782   0.8360 12136.99  181.318 12381.88  254.245 11883.53  258.658  112.931   1.1598  110.633   1.2044 2.297272 1.672031 
1 1 1    0    5   19 f  189.604   1.1659 34914.31  429.121 34868.33  604.598 34960.99  609.166  189.478   1.6438  189.729   1.6540 -0.2508545 2.331894 
1 1 1    0    5   20 o   71.721   0.6835  4994.25   95.156  4935.18  134.412  5053.61  134.730   71.296   0.9712   72.147   0.9620 -0.8505707 1.367006 
1 1 1    0    5   21 o  153.627   1.0792 22928.62  321.837 23224.90  457.070 22637.28  453.247  154.612   1.5229  152.643   1.5297 1.969162 2.158495 
1 1 1    0    5   22 o  125.049   0.9399 15189.64  228.060 15161.76  317.647 15219.31  327.637  124.932   1.3098  125.166   1.3485 -0.2337036 1.879879 
1 1 1    0    5   23 o  121.758   0.9544 14404.54  225.584 14502.76  319.883 14307.37  318.171  122.171   1.3488  121.345   1.3507 0.8259964 1.908895 
1 1 1    0    5   24 o   67.790   0.8839  4502.16  110.160  4583.66  136.191  4347.94  187.350   68.696   1.0213   66.883   1.4430 1.813423 1.767866 
1 1 1    0    5   25 o   67.755   0.7541  4458.08   99.133  4517.31  142.675  4402.79  137.842   68.189   1.0779   67.321   1.0548 0.8686066 1.508107 
1 1 1    0    5   26 f  118.014   1.0736 13545.98  245.932 13695.84  350.081 13399.96  345.562  118.658   1.5199  117.370   1.5167 1.288162 2.147194 
1 1 1    0    5   27 o   29.936   1.1123  872.175   64.618  877.375   92.640  867.247   90.178   30.022   1.5896   29.850   1.5563 0.1720028 2.224587 
1 1 1    0    5   28 o   38.876   0.8955  1472.00   67.492  1395.67   95.826  1547.14   95.073   37.872   1.3035   39.879   1.2281 -2.007851 1.790910 
1 1 1    0    5   29 f   40.453   0.8939  1593.74   70.162  1526.16   98.563  1663.15   99.898   39.582   1.2828   41.324   1.2453 -1.742626 1.787852 
1 1 1    0    5   30 o   58.094   0.7988  3288.72   90.064  3301.73  126.204  3275.22  128.567   58.213   1.1168   57.974   1.1424 0.2393265 1.597647 
1 1 1    0    5   31 o   19.763   1.6176  387.476   61.975  360.585   86.467  415.884   88.874   19.049   2.3384   20.478   2.2358 -1.429070 3.235234 
1 1 1    0    5   32 o   32.658   1.0696  1051.42   67.689  1111.79   95.168  989.606   96.294   33.625   1.4580   31.692   1.5653 1.932812 2.139144 
1 1 1    0    5   33 o   41.696   0.9290  1707.78   75.131  1665.50  103.763  1754.38  108.929   41.160   1.2987   42.231   1.3288 -1.071468 1.857993 
1 1 1    0    5   34 o   23.611   1.4828  563.765   67.929  588.418   96.975  540.015   95.183   24.129   2.0704   23.092   2.1234 1.037457 2.965695 
1 1 1    0    5   35 o   25.410   1.4485  667.066   70.209  540.430  100.555  787.523   98.072   22.890   2.2630   27.931   1.8088 -5.040911 2.897099 
1 1 1    0    6    0 o  207.099   2.2872 41648.88  919.490 41596.94  1296.51 41701.43  1304.23  206.969   3.2271  207.228   3.2422 -0.2592621 4.574469 
1 1 1    0    6    1 o  342.935   1.7616 114165.20  1172.26 112581.30  1630.99 115857.80  1686.03  340.478   2.4677  345.393   2.5147 -4.915100 3.523272 
1 1 1    0    6    2 o  119.430   1.1642 13813.55  267.512 13597.58  354.184 14100.36  408.172  118.348   1.5417  120.512   1.7448 -2.164009 2.328355 
1 1 1    0    6    3 o  324.516   1.7615 102255.60  1109.49 101597.40  1553.86 102940.30  1584.69  323.452   2.4748  325.580   2.5074 -2.128357 3.523011 
1 1 1    0    6    4 o  280.533   1.3212 76337.80  711.463 75998.80  937.716 76797.67  1092.18  279.803   1.7265  281.262   2.0004 -1.459290 2.642388 
1 1 1    0    6    5 o  133.469   0.8803 17289.15  225.639 17275.97  298.095 17306.83  345.284  133.410   1.1511  133.527   1.3321 -0.1174774 1.760536 
1 1 1    0    6    6 f   91.617   0.6739  8151.12  119.774  8027.53  171.788  8268.04  167.082   90.941   0.9731   92.293   0.9326 -1.352501 1.347859 
1 1 1    0    6    7 o  141.888   0.9121 19546.90  248.794 19522.84  379.039 19565.11  329.778  141.810   1.3769  141.967   1.1967 -0.1572266 1.824259 
1 1 1    0    6    8 o  117.098   0.7833 13311.01  178.036 13205.21  251.046 13418.05  252.523  116.630   1.1089  117.566   1.1065 -0.9362183 1.566507 
1 1 1    0    6    9 o   30.960   0.4651  932.104   26.749  936.297   33.342  924.531   44.807   31.058   0.5530   30.862   0.7479 0.1963253 0.9301669 
1 1 1    0    6   10 o  335.167   1.2190 109087.70  792.397 109486.30  1099.20 108656.50  1143.34  335.807   1.6863  334.527   1.7607 1.280029 2.437913 
1 1 1    0    6   11 o  182.283   0.9764 32251.67  345.461 32687.03  491.130 31825.32  486.021  183.501   1.3788  181.066   1.3828 2.434982 1.952719 
1 1 1    0    6   12 o  600.710   1.5938 350352.09  1858.53 350505.00  2626.70 350198.69  2630.02  600.842   2.2521  600.579   2.2559 0.2630005 3.187643 
1 1 1    0    6   13 o   63.084   0.5701  3861.03   69.793  3765.45   97.529  3961.35   99.919   62.285   0.8067   63.884   0.8057 -1.599648 1.140126 
1 1 1    0    6   14 f  155.499   0.9387 23471.97  283.353 23510.90  401.134 23433.21  400.309  155.628   1.3278  155.370   1.3273 0.2573700 1.877436 
1 1 1    0    6   15 o  473.350   1.5067 217558.70  1384.40 216852.91  1948.46 218278.30  1967.36  472.576   2.1240  474.125   2.1376 -1.549255 3.013419 
1 1 1    0    6   16 o  187.535   1.0518 34138.07  382.850 33628.13  537.781 34662.10  545.158  186.115   1.4885  188.954   1.4863 -2.839676 2.103513 
1 1 1    0    6   17 o  106.879   0.7964 11087.33  165.212 11248.79  235.409 10930.62  231.920  107.645   1.1266  106.112   1.1259 1.533264 1.592762 
1 1 1    0    6   18 o   50.751   0.6333  2500.20   62.383  2515.22   88.771  2485.54   87.685   50.902   0.8984   50.600   0.8927 0.3011284 1.266508 
1 1 1    0    6   19 o   72.733   0.6836  5133.75   96.491  5248.69  138.009  5023.85  134.960   73.529   0.9669   71.937   0.9665 1.592133 1.367101 
1 1 1    0    6   20 o  150.637   1.0469 22040.79  306.112 22062.85  433.509 22018.86  432.310  150.712   1.4818  150.562   1.4792 0.1501007 2.093709 
1 1 1    0    6   21 o   46.545   0.6798  2102.78   61.412  2148.75   87.859  2058.87   85.875   47.042   0.9621   46.048   0.9607 0.9944382 1.359650 
1 1 1    0    6   22 o  157.949   1.1237 24258.88  344.003 24524.67  474.845 23965.32  499.043  158.866   1.5398  157.031   1.6371 1.834137 2.247473 
1 1 1    0    6   23 o   48.907   0.7057  2323.24   66.992  2356.15   94.492  2289.98   94.993   49.255   0.9883   48.558   1.0078 0.6970825 1.411484 
1 1 1    0    6   24 o  107.687   0.9575 11269.71  200.145 11260.23  283.088 11279.18  283.009  107.642   1.3548  107.732   1.3533 -0.9068298E-01 1.914902 
1 1 1    0    6   25 o  148.520   1.3077 21469.49  377.015 21584.26  535.494 21356.68  530.894  148.913   1.8525  148.127   1.8463 0.7857513 2.615463 
1 1 1    0    6   26 o   30.940   1.0454  931.637   62.734  945.992   87.320  916.323   90.187   31.188   1.4423   30.692   1.5138 0.4961224 2.090886 
1 1 1    0    6   27 o   84.729   0.8582  6979.05  141.133  6921.50  198.038  7038.45  201.183   84.375   1.2091   85.084   1.2181 -0.7087555 1.716314 
1 1 1    0    6   28 o   45.462   0.8446  2008.09   74.470  2064.02  108.076  1957.53  102.758   46.062   1.2087   44.861   1.1800 1.201591 1.689187 
1 1 1    0    6   29 o   51.540   0.8089  2586.55   80.872  2468.00  114.041  2706.47  114.701   50.349   1.1668   52.732   1.1205 -2.382717 1.617745 
1 1 1    0    6   30 o   30.250   1.1109  894.992   65.235  891.410   92.198  898.584   92.314   30.189   1.5733   30.311   1.5689 -0.1218834 2.221852 
1 1 1    0    6   31 o   55.725   0.8087  3030.74   87.466  2954.60  122.678  3109.46  124.740   55.012   1.1488   56.438   1.1386 -1.426186 1.617438 
1 1 1    0    6   32 o   25.373   1.2993  636.351   63.891  688.111   92.803  589.712   88.092   26.358   1.8138   24.388   1.8608 1.970097 2.598516 
1 1 1    0    6   33 o   24.785   1.4008  612.273   66.725  503.022   91.532  736.171   97.474   22.385   2.1064   27.184   1.8472 -4.799553 2.801625 
1 1 1    0    6   34 o   29.839   1.1846  886.800   68.577  926.277   98.767  850.052   95.291   30.482   1.6692   29.195   1.6814 1.286823 2.369223 
1 1 1    0    7    1 o   51.534   0.5815  2576.99   58.159  2626.76   83.163  2529.36   81.364   52.021   0.8235   51.047   0.8211 0.9735947 1.162943 
1 1 1    0    7    2 o  184.746   1.6304 33144.37  584.685 33163.37  822.866 33125.00  830.933  184.800   2.2938  184.692   2.3177 0.1079254 3.260869 
1 1 1    0    7    3 o  337.340   1.7784 110492.80  1164.54 111270.80  1652.30 109725.00  1641.57  338.520   2.5144  336.160   2.5156 2.359650 3.556798 
1 1 1    0    7    4 o  441.014   1.5669 188810.30  1341.35 188169.09  1886.06 189466.50  1908.04  440.257   2.2069  441.771   2.2250 -1.514343 3.133838 
1 1 1    0    7    5 o  420.907   1.4548 171976.70  1175.78 171862.09  1552.43 172130.91  1800.64  420.750   1.9007  421.063   2.2030 -0.3129272 2.909642 
1 1 1    0    7    6 o  188.372   0.9681 34445.50  354.008 34370.43  500.307 34520.77  500.978  188.167   1.3697  188.578   1.3686 -0.4111023 1.936247 
1 1 1    0    7    7 o   40.644   0.5511  1604.19   43.465  1565.01   61.834  1642.45   61.109   40.153   0.7933   41.135   0.7653 -0.9815445 1.102276 
1 1 1    0    7    8 o  237.109   1.1410 54588.84  525.164 55022.05  745.913 54163.02  739.517  238.041   1.6142  236.176   1.6130 1.865433 2.282044 
1 1 1    0    7    9 f  115.672   0.8355 12992.06  184.838 13006.33  241.602 12971.91  287.029  115.751   1.0753  115.593   1.2792 0.1572418 1.671060 
1 1 1    0    7   10 o  119.888   0.8008 13949.99  186.349 13729.28  261.621 14177.29  265.497  118.926   1.1333  120.851   1.1317 -1.924820 1.601597 
1 1 1    0    7   11 o  203.016   1.0308 40009.62  406.240 40089.33  575.652 39930.53  573.373  203.218   1.4593  202.815   1.4564 0.4028168 2.061665 
1 1 1    0    7   12 o  208.652   1.0526 42258.07  426.304 41939.94  599.530 42583.43  606.298  207.858   1.4859  209.446   1.4912 -1.588425 2.105138 
1 1 1    0    7   13 o  246.125   1.1202 58798.22  535.180 59547.43  762.543 58070.95  751.300  247.670   1.5861  244.580   1.5824 3.089661 2.240484 
1 1 1    0    7   14 o  105.720   0.8606 10856.43  173.151 10885.83  223.957 10812.74  273.011  105.899   1.0894  105.541   1.3326 0.3585739 1.721246 
1 1 1    0    7   15 o  166.042   1.0163 26763.92  327.577 26628.59  462.427 26900.23  464.106  165.620   1.4384  166.463   1.4363 -0.8426514 2.032661 
1 1 1    0    7   16 f  150.999   0.9535 22134.63  279.492 22145.31  395.303 22123.96  395.220  151.035   1.3483  150.962   1.3487 0.7283020E-01 1.907049 
1 1 1    0    7   17 o   64.450   0.6400  4031.62   80.067  4073.14  114.078  3991.31  112.405   64.777   0.9072   64.123   0.9030 0.6539917 1.280055 
1 1 1    0    7   18 o  231.372   1.6188 52018.31  726.928 52172.65  1038.16 51869.86  1018.20  231.706   2.3081  231.037   2.2703 0.6687317 3.237553 
1 1 1    0    7   19 o   69.222   0.6691  4651.96   89.910  4629.48  127.470  4674.20  126.836   69.056   0.9509   69.389   0.9416 -0.3328857 1.338259 
1 1 1    0    7   20 o   49.496   0.7828  2324.71   72.199  2196.66   89.178  2568.30  123.001   47.565   0.9658   51.426   1.2321 -3.861095 1.565561 
1 1 1    0    7   21 o   74.025   0.7120  5320.56  102.303  5222.76  144.062  5420.04  145.301   73.339   1.0119   74.712   1.0019 -1.372627 1.424000 
1 1 1    0    7   22 o  132.115   0.9535 16955.37  244.530 17135.56  347.287 16778.20  344.366  132.811   1.3471  131.419   1.3499 1.392426 1.907038 
1 1 1    0    7   23 o   62.225   0.8416  3772.75   96.632  3724.40  164.018  3798.45  119.591   61.910   1.3648   62.540   0.9851 -0.6295242 1.683165 
1 1 1    0    7   24 o   87.875   0.8245  7500.07  140.609  7596.56  201.351  7408.22  196.443   88.426   1.1730   87.324   1.1589 1.102089 1.648931 
1 1 1    0    7   25 o   77.239   0.9603  5790.39  136.249  5827.62  234.591  5771.44  167.372   77.407   1.5612   77.071   1.1187 0.3353271 1.920677 
1 1 1    0    7   26 o   19.085   1.5642  355.695   57.857  377.459   81.630  333.726   82.014   19.675   2.1373   18.494   2.2845 1.180908 3.128403 
1 1 1    0    7   27 f   62.630   0.9476  3824.79  109.093  3845.32  134.415  3785.17  186.743   62.898   1.1009   62.361   1.5426 0.5369339 1.895182 
1 1 1    0    7   28 o   45.434   0.8386  2004.74   73.899  2089.78  107.288  1927.97  101.934   46.349   1.1925   44.520   1.1795 1.829445 1.677267 
1 1 1    0    7   29 o   32.746   1.0557  1046.05   67.107  1047.67   95.030  1044.43   94.778   32.771   1.4939   32.720   1.4922 0.5050659E-01 2.111454 
1 1 1    0    7   30 o   35.101   0.9918  1201.67   67.531  1266.40   97.391  1141.73   93.720   36.012   1.3932   34.190   1.4121 1.821392 1.983678 
1 1 1    0    7   31 o   22.974   1.4286  528.222   62.885  451.660   91.485  596.799   86.583   21.335   2.2089   24.613   1.8122 -3.277517 2.857183 
1 1 1    0    7   32 o   16.520   1.9873  282.698   62.023  257.617   88.765  306.624   86.698   15.619   3.0370   17.420   2.5638 -1.801434 3.974506 
1 1 1    0    7   33 o   25.124   1.3693  633.179   66.469  689.689   92.953  574.046   95.085   26.318   1.8195   23.931   2.0469 2.387720 2.738647 
1 1 1    0    7   34 o   24.644   1.4245  618.278   67.266  512.013   95.654  722.237   94.610   22.442   2.1958   26.847   1.8155 -4.404980 2.849078 
1 1 1    0    8    0 o  328.665   2.4654 104893.90  1572.80 105930.40  2239.23 103884.60  2209.62  330.267   3.4928  327.063   3.4803 3.204163 4.930722 
1 1 1    0    8    1 o  264.752   1.6866 68051.98  866.647 67330.21  1211.47 68808.52  1240.29  263.316   2.3701  266.189   2.4003 -2.873230 3.373272 
1 1 1    0    8    2 f  187.934   1.6361 34293.86  596.844 34350.63  840.536 34236.12  847.637  188.091   2.3021  187.777   2.3254 0.3144989 3.272195 
1 1 1    0    8    3 o  519.691   2.0270 262234.59  2044.62 261502.09  2869.24 262990.31  2914.36  518.955   2.8482  520.427   2.8848 -1.471802 4.053941 
1 1 1    0    8    4 o  417.002   1.7160 169088.91  1367.53 167320.30  2123.86 170341.50  1787.34  415.125   2.6356  418.879   2.1981 -3.753906 3.431946 
1 1 1    0    8    5 o  365.749   1.4048 129792.90  985.798 129349.40  1297.91 130397.60  1515.50  365.018   1.8317  366.479   2.1303 -1.461182 2.809536 
1 1 1    0    8    6 o  253.600   1.1530 62441.59  562.261 62475.91  745.808 62396.41  855.807  253.685   1.5145  253.515   1.7390 0.1696014 2.306058 
1 1 1    0    8    7 o  128.553   0.8208 16042.37  204.814 16149.95  291.014 15936.78  288.307  128.980   1.1623  128.126   1.1592 0.8539886 1.641557 
1 1 1    0    8    8 o  238.662   1.1087 55326.27  512.488 55605.11  702.543 55009.13  749.244  239.308   1.5123  238.015   1.6216 1.292664 2.217404 
1 1 1    0    8    9 o   98.481   0.7904  9422.32  147.876  9379.07  234.377  9450.92  190.603   98.291   1.2284   98.671   0.9951 -0.3794250 1.580885 
1 1 1    0    8   10 o  192.460   1.0556 36000.22  392.659 35505.04  581.108 36416.27  532.656  191.238   1.5654  193.681   1.4168 -2.442764 2.111299 
1 1 1    0    8   11 o  214.268   1.0491 44563.59  436.324 45029.30  620.353 44107.66  613.810  215.375   1.4838  213.160   1.4834 2.215500 2.098147 
1 1 1    0    8   12 o  209.587   1.0554 42639.21  429.356 42857.57  610.013 42424.82  604.428  210.119   1.4956  209.055   1.4894 1.063416 2.110718 
1 1 1    0    8   13 o  249.380   1.1249 60372.31  544.549 60173.13  768.425 60573.26  771.802  248.967   1.5900  249.794   1.5917 -0.8263550 2.249790 
1 1 1    0    8   14 o  178.613   1.0037 30969.47  347.994 30958.75  492.321 30980.18  491.956  178.583   1.4202  178.644   1.4186 -0.6181335E-01 2.007349 
1 1 1    0    8   15 o  311.721   1.3162 94354.10  791.511 94243.02  1186.73 94443.11  1062.31  311.550   1.9623  311.892   1.7546 -0.3420105 2.632338 
1 1 1    0    8   16 o  149.381   0.9468 21663.10  274.535 21637.76  388.720 21688.31  387.785  149.293   1.3413  149.468   1.3365 -0.1744232 1.893525 
1 1 1    0    8   17 o   76.140   0.6801  5626.51  100.503  5708.01  143.382  5547.80  140.915   76.682   0.9632   75.598   0.9602 1.083786 1.360110 
1 1 1    0    8   18 o  104.207   0.8104 10542.73  163.924 10634.66  232.395 10451.70  231.257  104.659   1.1439  103.755   1.1482 0.9042969 1.620763 
1 1 1    0    8   19 o  151.171   1.1074 22194.37  324.967 22129.38  460.002 22259.11  459.146  150.950   1.5699  151.393   1.5624 -0.4422455 2.214818 
1 1 1    0    8   20 o   90.941   0.7602  8030.27  134.191  7977.46  189.315  8083.59  190.239   90.640   1.0760   91.241   1.0741 -0.6009598 1.520325 
1 1 1    0    8   21 o   75.660   0.7063  5559.13  103.718  5456.03  146.797  5661.90  146.563   74.959   1.0089   76.360   0.9888 -1.401810 1.412601 
1 1 1    0    8   22 o   88.910   0.8023  7673.61  138.330  7758.12  200.761  7597.23  190.870   89.374   1.1572   88.445   1.1117 0.9292068 1.604688 
1 1 1    0    8   23 o  135.045   1.0321 17724.05  270.549 17712.93  381.104 17735.36  384.143  135.003   1.4542  135.087   1.4649 -0.8412170E-01 2.064169 
1 1 1    0    8   24 o   53.025   0.7298  2725.89   75.021  2827.04  109.559  2636.59  102.941   53.949   1.0462   52.101   1.0178 1.847820 1.459609 
1 1 1    0    8   25 o   63.140   0.7459  3873.79   91.403  3819.21  129.832  3927.42  128.701   62.698   1.0668   63.581   1.0428 -0.8833771 1.491755 
1 1 1    0    8   26 o   52.693   0.7800  2700.08   79.725  2617.53  113.570  2780.29  111.945   51.897   1.1273   53.489   1.0781 -1.592197 1.559904 
1 1 1    0    8   27 o   31.763   1.0276  982.420   63.307  1007.61   88.548  956.082   90.543   32.181   1.4175   31.344   1.4881 0.8375149 2.055170 
1 1 1    0    8   28 o   34.530   0.9824  1160.08   65.795  1181.07   95.263  1140.93   90.981   34.827   1.4091   34.233   1.3691 0.5938454 1.964726 
1 1 1    0    8   29 o   31.748   1.0507  983.591   64.717  975.144   92.888  991.560   90.217   31.612   1.5137   31.884   1.4577 -0.2711506 2.101431 
1 1 1    0    8   30 o   38.066   0.9369  1414.42   69.219  1405.92   98.587  1422.68   97.208   37.951   1.3382   38.181   1.3116 -0.2298126 1.873790 
1 1 1    0    8   31 o   21.649   1.5775  479.268   63.635  333.536   91.096  618.149   88.929   18.257   2.5705   25.041   1.8295 -6.783863 3.155046 
1 1 1    0    8   32 o   17.006   1.9589  297.586   62.946  335.858   90.629  261.916   87.493   18.233   2.5606   15.780   2.9652 2.453568 3.917808 
1 1 1    0    8   33 o   14.035   2.3981  216.830   64.989  249.352   91.280  183.397   92.549   15.184   3.1979   12.885   3.5746 2.299175 4.796268 
1 1 1    0    8   34 o   29.839   1.2190  892.711   70.353  823.902  100.779  958.120   98.258   28.670   1.8108   31.009   1.6324 -2.339428 2.437982 
1 1 1    0    9    1 o  199.630   1.5239 38862.90  581.003 39695.02  761.029 37700.26  899.561  202.208   1.9388  197.051   2.3517 5.157211 3.047889 
1 1 1    0    9    2 o  159.523   1.2459 24699.51  385.766 24376.01  541.664 25032.47  549.532  158.463   1.7609  160.583   1.7629 -2.119553 2.491714 
1 1 1    0    9    3 o  134.227   1.1903 17488.11  310.125 17359.24  436.059 17620.01  441.151  133.727   1.6798  134.727   1.6868 -1.000580 2.380571 
1 1 1    0    9    4 o  251.143   1.7108 61241.48  834.023 61779.43  1178.23 60701.23  1180.75  252.249   2.4062  250.037   2.4327 2.211823 3.421684 
1 1 1    0    9    5 o  431.320   1.7549 180308.80  1435.60 179072.91  1840.35 182229.80  2294.41  429.457   2.2076  433.184   2.7286 -3.727753 3.509764 
1 1 1    0    9    6 o  332.590   1.3482 107276.00  852.753 106764.10  1099.37 108049.10  1351.14  331.608   1.7079  333.571   2.0866 -1.963135 2.696454 
1 1 1    0    9    7 o   93.882   0.7642  8500.15  136.059  8301.86  173.744  8814.56  218.780   92.477   0.9679   95.286   1.1828 -2.809021 1.528319 
1 1 1    0    9    8 o  285.940   1.1614 79391.86  643.569 79426.19  885.336 79353.38  937.161  286.009   1.5946  285.871   1.6888 0.1378784 2.322700 
1 1 1    0    9    9 o  100.851   0.7115  9873.23  139.283  9851.23  197.588  9894.95  196.368  100.739   1.0104  100.962   1.0020 -0.2234268 1.422971 
1 1 1    0    9   10 o  106.081   0.8327 10932.87  168.292 10874.95  264.339 10972.35  218.234  105.843   1.2866  106.319   1.0574 -0.4755325 1.665349 
1 1 1    0    9   11 o  302.711   1.1756 88950.38  690.761 88378.79  971.990 89533.65  981.853  301.728   1.6595  303.693   1.6655 -1.964783 2.351148 
1 1 1    0    9   12 f  171.968   0.9711 28701.98  324.132 28232.95  455.173 29184.53  461.679  170.543   1.3749  173.393   1.3716 -2.850250 1.942118 
1 1 1    0    9   13 o  254.594   1.1389 62915.39  562.795 63795.25  801.525 62059.74  790.416  256.350   1.6107  252.839   1.6104 3.510941 2.277707 
1 1 1    0    9   14 o  209.052   1.1265 42416.85  455.488 42536.48  674.009 42316.30  617.950  209.322   1.6588  208.783   1.5247 0.5388031 2.253070 
1 1 1    0    9   15 o  135.233   0.9154 17752.71  240.291 17726.61  339.316 17778.97  340.333  135.133   1.2935  135.332   1.2955 -0.1993713 1.830722 
1 1 1    0    9   16 o  310.620   1.2549 93680.08  756.650 94245.54  1075.27 93125.42  1064.94  311.548   1.7780  309.692   1.7714 1.856445 2.509829 
1 1 1    0    9   17 o   70.573   0.6651  4832.63   91.087  4932.03  130.649  4738.62  127.059   71.279   0.9442   69.868   0.9368 1.411514 1.330124 
1 1 1    0    9   18 o  113.550   0.9071 12519.24  199.937 12531.91  284.662 12506.91  280.882  113.607   1.2908  113.494   1.2749 0.1128235 1.814279 
1 1 1    0    9   19 o   59.187   0.6429  3401.27   73.851  3375.04  105.299  3426.65  103.603   58.962   0.9200   59.412   0.8983 -0.4494209 1.285836 
1 1 1    0    9   20 o  101.961   0.8921 10096.47  176.575 10070.64  249.824 10122.26  249.606  101.830   1.2638  102.091   1.2595 -0.2608566 1.784280 
1 1 1    0    9   21 o   12.094   1.9843  149.394   45.715  131.287   67.243  164.955   62.337   11.402   2.9982   12.787   2.6000 -1.384735 3.968513 
1 1 1    0    9   22 o   97.130   0.8113  9161.60  152.950  9246.19  218.531  9080.38  214.144   97.569   1.1538   96.691   1.1409 0.8780746 1.622654 
1 1 1    0    9   23 o   35.005   0.8668  1189.71   58.820  1203.71   85.599  1177.18   80.963   35.199   1.2528   34.810   1.1982 0.3886147 1.733501 
1 1 1    0    9   24 o   87.797   0.8198  7488.71  139.715  7498.90  197.981  7478.61  197.196   87.856   1.1609   87.737   1.1578 0.1187592 1.639584 
1 1 1    0    9   25 o   47.192   0.7703  2154.96   70.413  2302.99  103.883  2029.14   95.768   48.685   1.0992   45.699   1.0796 2.985252 1.540693 
1 1 1    0    9   26 o   47.791   0.8118  2220.55   75.268  2202.19  108.051  2237.85  104.908   47.598   1.1694   47.984   1.1263 -0.3863716 1.623603 
1 1 1    0    9   27 o   31.988   1.0394  994.367   64.446  1072.55   92.910  921.871   89.468   33.200   1.4417   30.777   1.4976 2.423374 2.078706 
1 1 1    0    9   28 o   37.824   0.9175  1391.16   67.320  1460.64   96.808  1326.11   93.679   38.738   1.2874   36.909   1.3075 1.828674 1.834920 
1 1 1    0    9   29 o   16.199   2.3098  262.451   67.653  297.287  114.594  243.814   83.819   16.941   3.5959   15.457   2.9001 1.484195 4.619658 
1 1 1    0    9   30 o   69.138   0.8028  4658.05  107.733  4566.65  151.264  4752.14  153.475   68.449   1.1384   69.827   1.1323 -1.377899 1.605627 
1 1 1    0    9   31 o   25.804   1.3022  655.403   65.100  715.234   94.276  600.872   90.003   26.936   1.8031   24.672   1.8793 2.263590 2.604341 
1 1 1    0    9   32 o   20.798   1.5598  432.122   62.827  473.410   90.372  393.501   87.404   21.777   2.1378   19.819   2.2719 1.958290 3.119556 
1 1 1    0    9   33 o   30.974   1.1537  949.774   69.250  875.066   96.080  1030.54   99.900   29.694   1.6668   32.254   1.5956 -2.559799 2.307417 
1 1 1    0    9   34 o   31.912   1.1507  1015.03   71.278  1017.10  100.430  1012.92  101.179   31.949   1.6194   31.875   1.6352 0.7382774E-01 2.301367 
1 1 1    0   10    0 f  165.133   1.5650 26465.73  501.611 26046.98  704.461 26896.40  714.415  163.808   2.2154  166.457   2.2110 -2.649567 3.129935 
1 1 1    0   10    1 o   69.021   0.7414  4622.40   99.320  4728.52  142.000  4520.75  138.968   69.796   1.0481   68.246   1.0490 1.550629 1.482847 
1 1 1    0   10    2 o  304.883   1.7448 90223.71  1032.39 89295.32  1441.31 91201.95  1479.49  303.273   2.4483  306.492   2.4867 -3.219238 3.489666 
1 1 1    0   10    3 o  198.387   1.6648 38194.32  640.973 37462.65  894.032 38968.19  919.447  196.433   2.3446  200.341   2.3642 -3.907684 3.329701 
1 1 1    0   10    4 o   59.854   0.6598  3477.33   76.663  3467.45  108.367  3487.24  108.469   59.769   0.9340   59.939   0.9322 -0.1702805 1.319651 
1 1 1    0   10    5 o  327.049   1.6384 103827.90  1020.29 104036.20  1608.38 103687.60  1319.83  327.309   2.5314  326.789   2.0806 0.5203857 3.276730 
1 1 1    0   10    6 o  177.942   1.0995 30774.04  376.850 31004.27  503.679 30481.27  567.990  178.703   1.4520  177.182   1.6514 1.521088 2.198953 
1 1 1    0   10    7 o  193.391   1.1081 36381.45  407.961 36657.54  528.672 35975.05  641.424  194.307   1.4016  192.473   1.7168 1.833878 2.216261 
1 1 1    0   10    8 o  139.421   0.9226 18864.86  247.097 18828.34  326.555 18913.79  377.946  139.265   1.2079  139.576   1.3949 -0.3107147 1.845260 
1 1 1    0   10    9 f  199.090   1.0035 38480.80  387.832 38514.27  548.555 38447.34  548.399  199.177   1.4188  199.003   1.4196 0.1732025 2.007052 
1 1 1    0   10   10 o  263.299   1.2753 67325.63  634.819 67216.20  1020.66 67394.67  810.709  263.116   1.9983  263.481   1.5851 -0.3653564 2.550651 
1 1 1    0   10   11 o   94.996   0.8153  8812.50  146.969  8500.89  231.731  9022.19  190.090   93.582   1.2756   96.410   1.0157 -2.828491 1.630619 
1 1 1    0   10   12 o  153.016   0.9162 22727.97  272.145 22719.65  384.309 22736.34  385.435  152.988   1.2941  153.045   1.2974 -0.5615234E-01 1.832433 
1 1 1    0   10   13 o  242.525   1.1841 57093.91  554.715 57031.00  748.059 57170.77  826.809  242.379   1.5899  242.671   1.7552 -0.2915802 2.368232 
1 1 1    0   10   14 o  249.508   1.1466 60436.71  555.327 60307.46  785.013 60566.18  785.689  249.241   1.6225  249.775   1.6205 -0.5341187 2.293134 
1 1 1    0   10   15 o  261.835   1.1762 66555.68  597.820 66966.09  848.552 66151.23  842.373  262.636   1.6644  261.033   1.6624 1.602692 2.352429 
1 1 1    0   10   16 o  195.391   1.0950 37065.53  415.324 36916.69  585.696 37216.07  589.033  194.996   1.5473  195.785   1.5499 -0.7889862 2.190047 
1 1 1    0   10   17 o  196.068   1.0867 37328.32  413.617 37216.07  585.422 37440.19  584.465  195.774   1.5405  196.363   1.5333 -0.5889893 2.173496 
1 1 1    0   10   18 o   53.268   0.6268  2754.51   64.815  2752.06   91.229  2757.01   92.101   53.244   0.8827   53.292   0.8903 -0.4778671E-01 1.253689 
1 1 1    0   10   19 f   38.008   0.9771  1398.23   71.973  1495.63  105.347  1312.97   98.562   39.245   1.3829   36.770   1.3809 2.474377 1.954236 
1 1 1    0   10   20 o   51.442   0.7616  2535.78   72.936  2454.48   90.386  2687.52  123.485   50.279   0.9261   52.606   1.2092 -2.326401 1.523126 
1 1 1    0   10   21 o   40.599   0.7216  1596.67   56.787  1720.46   82.455  1484.98   78.323   42.092   1.0091   39.105   1.0318 2.986900 1.443238 
1 1 1    0   10   22 o   35.709   0.7996  1237.11   55.332  1261.96   80.981  1215.34   75.780   36.045   1.1574   35.374   1.1036 0.6708221 1.599188 
1 1 1    0   10   23 f  104.531   0.9018 10615.26  182.968 10475.75  257.439 10757.66  260.093  103.837   1.2772  105.225   1.2733 -1.388229 1.803501 
1 1 1    0   10   24 o   93.630   0.8446  8516.57  153.498  8371.61  215.867  8664.83  218.311   92.824   1.1980   94.436   1.1909 -1.612236 1.689217 
1 1 1    0   10   25 o   65.344   0.7452  4148.54   94.518  4156.39  132.947  4140.52  134.403   65.407   1.0471   65.281   1.0606 0.1259079 1.490420 
1 1 1    0   10   26 o   81.472   0.8383  6452.21  132.571  6488.91  188.665  6416.42  186.323   81.701   1.1896   81.244   1.1814 0.4567490 1.676587 
1 1 1    0   10   27 o   91.790   0.9004  8193.03  160.415  8282.02  228.817  8107.02  224.955   92.280   1.2774   91.301   1.2693 0.9789963 1.800758 
1 1 1    0   10   28 o   11.277   2.1996  119.325   59.500  -1.5685   87.028  225.427   81.530   7.6755   3.2839   14.878   2.9273 -7.202036 4.399243 
1 1 1    0   10   29 o   23.912   1.3222  561.297   61.157  510.722   86.895  610.940   86.090   22.831   1.9606   24.992   1.7745 -2.160986 2.644443 
1 1 1    0   10   30 o   18.381   1.7403  334.396   61.923  368.247   88.799  302.353   86.396   19.299   2.3703   17.462   2.5487 1.836687 3.480564 
1 1 1    0   10   31 o   62.505   0.7991  3816.00   96.948  3761.76  136.867  3870.63  137.345   62.058   1.1362   62.953   1.1239 -0.8958244 1.598127 
1 1 1    0   10   32 o   18.738   1.8727  365.305   62.851  514.588   91.409  231.438   86.560   22.722   2.0724   14.755   3.1197 7.967582 3.745340 
1 1 1    0   10   33 o   25.747   1.3340  662.452   66.649  653.796   95.057  670.821   93.475   25.570   1.9151   25.924   1.8575 -0.3533173 2.667932 
1 1 1    0   10   34 o   28.037   1.3161  790.339   71.621  793.840  100.776  786.765  101.808   28.107   1.8470   27.967   1.8753 0.1402340 2.632184 
1 1 1    0   11    1 o  416.542   1.8728 168385.30  1513.66 171075.50  2178.44 165874.00  2104.75  419.756   2.6735  413.329   2.6232 6.427704 3.745551 
1 1 1    0   11    2 o   8.1398   0.5945   64.868   9.3123   70.908   12.782   58.034   13.595   8.5472   0.7704   7.7324   0.9057 0.8147926 1.189049 
1 1 1    0   11    3 o  137.188   1.1387 18270.44  303.243 18333.46  428.206 18207.04  429.497  137.426   1.6052  136.951   1.6156 0.4747925 2.277430 
1 1 1    0   11    4 o  174.265   1.3065 29482.93  441.955 29520.17  623.603 29445.36  626.445  174.376   1.8423  174.154   1.8530 0.2213745 2.612997 
1 1 1    0   11    5 o   84.060   0.8706  6858.83  142.054  6952.38  201.778  6766.90  200.023   84.628   1.2283   83.492   1.2342 1.136612 1.741210 
1 1 1    0   11    6 o  137.297   1.0576 18324.11  270.904 18380.51  339.419 18225.12  449.655  137.595   1.2708  136.999   1.6908 0.5967255 2.115123 
1 1 1    0   11    7 o  162.426   1.0782 25612.38  336.368 25590.48  444.510 25641.70  514.527  162.349   1.4105  162.502   1.6311 -0.1532898 2.156379 
1 1 1    0   11    8 f  150.728   1.0090 21968.95  287.344 21680.56  365.312 22436.88  465.335  149.441   1.2593  152.015   1.5769 -2.574402 2.018062 
1 1 1    0   11    9 o  206.311   1.1485 41226.09  449.844 40860.27  577.473 41790.66  717.409  205.156   1.4500  207.466   1.7814 -2.310486 2.296939 
1 1 1    0   11   10 o  304.688   1.2089 90112.60  713.887 89913.02  981.634 90336.66  1040.08  304.332   1.6616  305.044   1.7565 -0.7123108 2.417888 
1 1 1    0   11   11 o  294.073   1.3753 83790.36  770.469 84809.02  1215.67 83106.48  996.066  295.557   2.1189  292.589   1.7537 2.968658 2.750509 
1 1 1    0   11   12 o  117.272   0.8985 13428.74  201.382 12874.61  309.910 13833.72  264.942  115.165   1.3863  119.380   1.1433 -4.215195 1.796907 
1 1 1    0   11   13 o  220.407   1.0922 47159.14  467.309 47301.88  661.321 47016.79  660.429  220.740   1.5434  220.074   1.5459 0.6662903 2.184465 
1 1 1    0   11   14 o  223.936   1.1096 48679.45  482.311 48202.07  678.747 49166.35  685.484  222.827   1.5692  225.044   1.5691 -2.217804 2.219141 
1 1 1    0   11   15 o   71.674   0.6619  4986.48   92.070  4859.12  129.786  5115.51  130.633   70.753   0.9450   72.595   0.9270 -1.842773 1.323744 
1 1 1    0   11   16 o  390.966   1.3638 148372.70  1034.73 146192.20  1441.49 150690.41  1486.18  388.005   1.9139  393.926   1.9435 -5.920959 2.727669 
1 1 1    0   11   17 o  167.272   1.1009 27178.54  354.387 27102.12  537.170 27237.44  471.571  167.058   1.6565  167.485   1.4505 -0.4269409 2.201739 
1 1 1    0   11   18 o   72.509   0.6746  5103.54   94.944  5049.90  133.425  5158.56  135.133   72.123   0.9530   72.895   0.9550 -0.7718353 1.349156 
1 1 1    0   11   19 o  144.596   0.9664 20303.30  271.243 20425.93  384.856 20182.27  382.349  145.030   1.3670  144.162   1.3663 0.8675690 1.932747 
1 1 1    0   11   20 o   40.506   0.8271  1576.23   62.792  1529.93   78.572  1658.07  104.461   39.694   1.0197   41.317   1.3024 -1.623344 1.654125 
1 1 1    0   11   21 o   42.003   0.6945  1713.06   56.612  1755.81   80.370  1670.96   79.757   42.523   0.9737   41.482   0.9905 1.040501 1.388901 
1 1 1    0   11   22 o   44.160   0.7331  1894.51   62.824  1864.54   89.588  1923.51   88.123   43.816   1.0533   44.504   1.0201 -0.6883507 1.466282 
1 1 1    0   11   23 o   29.571   0.9595  852.165   54.705  731.755   76.761  976.438   77.983   27.440   1.4411   31.702   1.2672 -4.262096 1.919020 
1 1 1    0   11   24 o   60.467   0.9008  3484.50   99.419  3359.32  120.441  3752.20  176.130   58.807   1.0551   62.127   1.4604 -3.320221 1.801687 
1 1 1    0   11   25 o   44.423   0.7990  1921.94   68.748  1823.90   98.859  2013.77   95.668   43.321   1.1756   45.525   1.0826 -2.203537 1.598096 
1 1 1    0   11   26 o   80.862   0.8371  6354.17  131.351  6432.14  188.783  6281.01  182.875   81.341   1.1956   80.382   1.1720 0.9587173 1.674236 
1 1 1    0   11   27 o   53.965   0.7894  2831.08   82.693  2798.73  116.888  2863.50  117.003   53.655   1.1223   54.274   1.1106 -0.6181717 1.578863 
1 1 1    0   11   28 o   16.050   2.0445  265.219   60.867  187.933   87.158  338.795   85.040   13.513   3.3415   18.587   2.3569 -5.074230 4.089059 
1 1 1    0   11   29 o   46.896   0.8228  2142.03   74.900  2176.82  106.004  2107.35  105.845   47.278   1.1550   46.515   1.1722 0.7628670 1.645676 
1 1 1    0   11   30 o   56.314   0.7960  3089.58   86.965  3139.23  125.473  3043.69  120.643   56.746   1.1391   55.882   1.1122 0.8644180 1.591974 
1 1 1    0   11   31 o   22.226   1.5085  489.122   64.963  532.084   94.527  450.670   89.428   23.155   2.1030   21.297   2.1632 1.858547 3.016985 
1 1 1    0   11   32 o   23.445   1.4410  547.071   65.119  636.225   94.127  465.228   90.185   25.310   1.9158   21.579   2.1529 3.731270 2.881909 
1 1 1    0   11   33 o   19.246   1.7651  378.106   65.736  418.108   94.346  340.363   91.643   20.272   2.3975   18.220   2.5911 2.051899 3.530187 
1 1 1    0   11   34 o   35.297   1.0799  1242.36   73.544  1080.75  103.397  1407.85  104.626   32.915   1.6183   37.679   1.4305 -4.763691 2.159847 
1 1 1    0   12    0 o   96.460   1.0333  9022.84  193.376  8766.24  268.221  9300.58  279.050   95.033   1.4540   97.887   1.4686 -2.853455 2.066565 
1 1 1    0   12    1 o   88.120   0.9468  7537.28  161.952  7478.38  228.254  7597.00  229.823   87.773   1.3396   88.467   1.3383 -0.6933670 1.893587 
1 1 1    0   12    2 o  157.814   1.2580 24175.73  385.360 23967.98  541.505 24388.91  548.526  157.127   1.7754  158.501   1.7828 -1.373596 2.515995 
1 1 1    0   12    3 o  235.533   1.5880 53868.55  719.062 53831.92  1095.43 53896.29  953.163  235.456   2.3967  235.609   2.0841 -0.1529694 3.176064 
1 1 1    0   12    4 o  140.325   1.2245 19112.78  333.508 18821.59  467.302 19415.07  476.125  139.236   1.7289  141.414   1.7345 -2.178024 2.448997 
1 1 1    0   12    5 o   28.568   0.4209  791.685   23.319  781.988   32.208  802.368   33.805   28.384   0.5846   28.751   0.6057 -0.3674355 0.8417681 
1 1 1    0   12    6 o   90.850   0.7855  8035.83  135.239  8121.63  173.883  7904.46  215.156   91.468   0.9793   90.232   1.2284 1.235504 1.570970 
1 1 1    0   12    7 o  215.252   1.2906 45069.02  525.309 45332.10  671.928 44655.44  842.467  216.074   1.6020  214.430   2.0240 1.643280 2.581225 
1 1 1    0   12    8 o  152.633   1.0330 22581.84  298.202 22457.52  380.477 22779.81  480.146  152.094   1.2887  153.171   1.6148 -1.077225 2.066025 
1 1 1    0   12    9 o   87.765   0.8224  7480.21  139.959  7546.44  193.937  7408.24  202.185   88.171   1.1331   87.360   1.1923 0.8116379 1.644816 
1 1 1    0   12   10 o   99.654   0.8829  9709.87  162.429  9871.59  201.636  9410.94  274.132  100.846   1.0300   98.462   1.4343 2.384598 1.765795 
1 1 1    0   12   11 o  247.164   1.1176 59301.07  536.218 59541.11  761.225 59064.65  755.463  247.660   1.5834  246.667   1.5777 0.9927673 2.235270 
1 1 1    0   12   12 o  244.653   1.2587 58036.91  584.464 58446.82  931.485 57770.73  750.609  245.359   1.9557  243.947   1.5851 1.411377 2.517416 
1 1 1    0   12   13 o  440.969   1.4671 188781.80  1255.72 187619.80  1761.74 189981.91  1790.31  439.590   2.0646  442.348   2.0850 -2.757141 2.934204 
1 1 1    0   12   14 o  176.385   1.0259 30202.65  351.275 30340.86  497.229 30064.93  496.327  176.788   1.4489  175.982   1.4529 0.8058167 2.051879 
1 1 1    0   12   15 o  234.279   1.1975 53296.47  542.065 53375.75  732.409 53200.45  806.066  234.475   1.6091  234.083   1.7739 0.3921204 2.395025 
1 1 1    0   12   16 o  449.305   1.4082 196026.30  1228.04 194849.91  1721.23 197245.91  1752.62  447.933   1.9795  450.676   2.0034 -2.742676 2.816372 
1 1 1    0   12   17 o   89.932   0.9144  7930.84  151.134  7606.39  256.750  8102.88  186.956   88.505   1.4944   91.359   1.0542 -2.853630 1.828839 
1 1 1    0   12   18 o   80.755   0.7088  6331.01  111.105  6340.56  157.542  6321.55  156.714   80.815   1.0042   80.694   1.0005 0.1211548 1.417535 
1 1 1    0   12   19 o  121.858   0.9289 14421.04  219.714 14507.74  309.710 14333.20  311.744  122.228   1.3053  121.489   1.3219 0.7382889 1.857764 
1 1 1    0   12   20 f  111.911   0.8884 12164.35  192.982 11992.26  272.785 12336.77  273.051  111.119   1.2646  112.704   1.2481 -1.585808 1.776793 
1 1 1    0   12   21 o   28.751   0.8984  805.670   49.922  888.212   70.363  722.004   70.840   30.240   1.1986   27.262   1.3386 2.978186 1.796832 
1 1 1    0   12   22 o  126.622   0.9518 15577.38  233.950 15467.36  329.142 15689.73  332.594  126.170   1.3439  127.073   1.3483 -0.9032745 1.903686 
1 1 1    0   12   23 o   94.347   0.8601  8648.36  157.504  8620.16  224.473  8675.70  221.056   94.195   1.2276   94.500   1.2051 -0.3046799 1.720248 
1 1 1    0   12   24 o  131.434   1.0664 16795.55  272.066 16828.23  385.632 16763.17  383.892  131.561   1.5100  131.307   1.5061 0.2540131 2.132721 
1 1 1    0   12   25 o   64.336   0.7591  4021.74   94.800  4015.72  134.347  4027.72  133.790   64.288   1.0766   64.384   1.0705 -0.9635925E-01 1.518188 
1 1 1    0   12   26 o   21.091   1.4730  438.363   59.650  375.938   86.137  495.886   82.686   19.624   2.2612   22.558   1.8883 -2.933867 2.945911 
1 1 1    0   12   27 o   62.262   0.7806  3768.37   94.316  3776.47  135.269  3760.72  131.573   62.326   1.1181   62.199   1.0897 0.1275635 1.561273 
1 1 1    0   12   28 o   29.851   1.1076  868.745   64.119  874.727   92.927  863.308   88.586   29.946   1.5986   29.756   1.5337 0.1902428 2.215296 
1 1 1    0   12   29 o   62.245   0.7815  3772.10   94.411  3851.77  134.240  3694.13  132.805   62.896   1.0995   61.593   1.1108 1.302540 1.562907 
1 1 1    0   12   30 f   22.892   1.3979  517.017   61.942  482.301   88.752  549.986   86.490   22.126   2.0663   23.657   1.8833 -1.531221 2.795856 
1 1 1    0   12   31 o   46.764   0.8669  2138.68   78.668  2160.60  113.014  2118.08  109.572   46.993   1.2389   46.536   1.2130 0.4570694 1.733834 
1 1 1    0   12   32 o   46.146   0.8803  2087.21   78.817  2096.86  113.394  2078.20  109.630   46.242   1.2632   46.050   1.2264 0.1926498 1.760638 
1 1 1    0   12   33 o   9.1762   2.4686   64.030   63.209  114.230   91.211   17.648   87.674   10.523   3.6530   7.8296   3.3213 2.693140 4.937144 
1 1 1    0   12   34 o   16.725   2.1951  306.593   68.623  308.832   98.378  304.471   95.769   16.765   3.1382   16.685   3.0701 0.8072472E-01 4.390214 
1 1 1    0   13    1 o  157.102   1.1623 24037.94  349.146 24428.39  457.933 23495.81  539.588  158.634   1.4871  155.571   1.7868 3.062973 2.324658 
1 1 1    0   13    2 o  244.568   1.7058 58079.13  809.796 58855.48  1147.93 57310.06  1142.54  246.195   2.4020  242.941   2.4227 3.254700 3.411623 
1 1 1    0   13    3 o  140.818   1.2199 19250.75  333.459 19160.21  468.929 19343.36  474.281  140.484   1.7196  141.153   1.7309 -0.6695709 2.439875 
1 1 1    0   13    4 o  179.891   1.3587 31423.11  474.464 31357.29  668.677 31489.84  673.333  179.702   1.9169  180.081   1.9262 -0.3790131 2.717476 
1 1 1    0   13    5 o  218.053   1.6016 46354.02  670.483 45014.41  1018.97 47376.88  890.394  215.250   2.4387  220.856   2.0769 -5.606308 3.203204 
1 1 1    0   13    6 o  143.283   1.2422 19936.11  345.453 19908.33  484.279 19964.89  492.924  143.182   1.7424  143.384   1.7710 -0.2020264 2.484400 
1 1 1    0   13    7 o  215.063   1.1937 44961.07  495.728 45427.61  669.704 44395.62  737.290  216.303   1.5950  213.823   1.7763 2.480408 2.387308 
1 1 1    0   13    8 o  115.531   0.9120 12967.55  200.740 13010.39  260.265 12904.63  315.389  115.769   1.1581  115.293   1.4092 0.4760895 1.824057 
1 1 1    0   13    9 o  226.663   1.1881 49862.49  512.748 49803.28  663.210 49950.46  808.438  226.501   1.5084  226.825   1.8361 -0.3238983 2.376227 
1 1 1    0   13   10 f  155.876   1.0560 23583.94  311.558 23576.26  398.580 23596.01  499.537  155.846   1.3175  155.906   1.6506 -0.6016541E-01 2.111943 
1 1 1    0   13   11 o   97.248   0.8740  9176.76  156.745  9169.64  193.490  9190.34  267.347   97.195   1.0255   97.302   1.4154 -0.1066132 1.747906 
1 1 1    0   13   12 o  164.669   0.9560 26321.70  305.582 26443.63  432.997 26200.72  431.325  165.049   1.3515  164.289   1.3525 0.7597961 1.911983 
1 1 1    0   13   13 o  341.407   1.4473 112702.60  925.739 114936.90  1530.89 111414.60  1162.33  344.049   2.2922  338.765   1.7675 5.283966 2.894556 
1 1 1    0   13   14 o  180.041   1.0201 31467.89  356.519 31174.08  503.661 31762.96  504.727  179.199   1.4479  180.884   1.4374 -1.684891 2.040260 
1 1 1    0   13   15 o  335.583   1.2807 109345.20  834.271 109264.40  1179.01 109426.30  1180.67  335.458   1.8106  335.707   1.8118 -0.2484741 2.561374 
1 1 1    0   13   16 o  262.941   1.3251 67139.68  676.343 67514.09  957.288 66766.52  955.703  263.674   1.8703  262.209   1.8776 1.464417 2.650189 
1 1 1    0   13   17 o  172.489   1.0416 28889.64  348.745 29138.15  495.645 28645.98  490.792  173.224   1.4740  171.755   1.4721 1.469070 2.083174 
1 1 1    0   13   18 o  146.205   0.9645 20756.11  273.717 20788.98  388.525 20723.71  385.680  146.320   1.3679  146.090   1.3600 0.2295074 1.928919 
1 1 1    0   13   19 o   48.813   0.8850  2315.06   83.728  2290.67  121.490  2337.13  115.551   48.567   1.2886   49.059   1.2134 -0.4915314 1.769985 
1 1 1    0   13   20 o  107.919   0.8488 11310.79  177.806 11413.81  251.758 11208.28  251.154  108.409   1.1963  107.428   1.2044 0.9809418 1.697559 
1 1 1    0   13   21 o  132.378   1.0131 17035.07  260.188 17396.06  364.260 16659.03  371.776  133.813   1.4023  130.942   1.4626 2.870895 2.026281 
1 1 1    0   13   22 o   79.675   0.7571  6165.48  117.092  6185.52  166.482  6145.86  164.719   79.803   1.0747   79.547   1.0667 0.2558289 1.514224 
1 1 1    0   13   23 o   55.244   0.7193  2964.79   77.120  2924.88  109.708  3003.78  108.433   54.876   1.0299   55.612   1.0044 -0.7361870 1.438596 
1 1 1    0   13   24 o   31.987   0.9165  993.963   56.894  1011.84   81.615  977.067   79.353   32.267   1.3030   31.708   1.2892 0.5588112 1.833036 
1 1 1    0   13   25 o   86.813   0.8343  7324.21  140.588  7317.55  199.646  7330.77  198.006   86.773   1.1853   86.852   1.1744 -0.7934570E-01 1.668576 
1 1 1    0   13   26 o   64.781   0.7765  4079.51   97.614  3951.91  138.014  4207.23  138.079   63.765   1.1150   65.796   1.0811 -2.030396 1.553056 
1 1 1    0   13   27 o   58.398   0.7845  3313.02   88.765  3354.32  129.968  3276.92  121.523   58.736   1.1399   58.060   1.0782 0.6762733 1.569075 
1 1 1    0   13   28 o   15.007   2.1622  231.905   60.720  209.162   88.446  252.179   83.507   14.252   3.2669   15.762   2.8335 -1.510268 4.324481 
1 1 1    0   13   29 o   13.388   2.3502  185.911   60.916  204.483   86.964  168.020   85.356   14.043   3.2539   12.734   3.3922 1.309512 4.700499 
1 1 1    0   13   30 o   12.844   2.2829  165.022   61.067  271.320   90.405   75.822   82.816   16.226   2.9801   9.4622   3.4591 6.763734 4.565759 
1 1 1    0   13   31 o   40.322   0.9092  1590.04   71.112  1654.75  102.908  1530.90   98.381   41.105   1.2897   39.539   1.2818 1.566029 1.818342 
1 1 1    0   13   32 o   48.607   0.8593  2316.56   81.047  2271.05  115.465  2360.75  113.787   48.128   1.2359   49.085   1.1942 -0.9576645 1.718604 
1 1 1    0   13   33 o   8.6097   2.4576   46.724   63.970   25.146   91.933   66.979   89.070   8.1362   3.4234   9.0832   3.5270 -0.9470100 4.915198 
1 1 1    0   13   34 o   34.432   1.1078  1184.20   73.828  1153.32  107.720  1211.56  101.384   33.968   1.6337   34.896   1.4967 -0.9285278 2.215599 
1 1 1    0   14    0 o  284.487   2.4593 78589.59  1358.01 78440.82  1907.82 78742.38  1933.45  284.214   3.4580  284.759   3.4978 -0.5441589 4.918568 
1 1 1    0   14    1 o   49.233   0.5168  2344.53   46.792  2327.41   57.497  2378.09   80.522   48.968   0.6049   49.498   0.8380 -0.5295296 1.033536 
1 1 1    0   14    2 o  118.380   1.0884 13599.95  250.069 13349.46  349.545 13862.56  357.905  117.264   1.5356  119.496   1.5429 -2.232193 2.176844 
1 1 1    0   14    3 o  253.393   1.7332 62368.11  852.449 62515.42  1198.84 62217.46  1212.37  253.697   2.4343  253.089   2.4677 0.6078949 3.466346 
1 1 1    0   14    4 f  142.886   1.2103 19825.97  335.679 19880.47  472.364 19770.37  477.115  143.085   1.7007  142.688   1.7225 0.3976440 2.420622 
1 1 1    0   14    5 f  127.645   1.1574 15821.68  286.779 15999.37  405.970 15644.69  405.164  128.361   1.6293  126.930   1.6444 1.431297 2.314853 
1 1 1    0   14    6 o  119.671   1.1198 13901.45  260.096 13652.97  364.403 14159.51  371.357  118.581   1.5831  120.761   1.5842 -2.179695 2.239580 
1 1 1    0   14    7 o   84.284   0.7460  6880.15  118.269  6832.76  149.532  6959.33  193.280   83.898   0.9181   84.669   1.1760 -0.7702103 1.491951 
1 1 1    0   14    8 o  414.672   1.6043 166952.91  1291.20 168596.20  1846.02 165378.91  1806.67  416.668   2.2823  412.676   2.2553 3.992157 3.208656 
1 1 1    0   14    9 o  166.277   1.1080 26789.93  353.539 26515.56  464.931 27166.09  544.375  165.271   1.4492  167.282   1.6764 -2.010513 2.215977 
1 1 1    0   14   10 o  279.534   1.2710 75843.03  678.172 75781.36  881.997 75932.23  1060.70  279.401   1.6262  279.668   1.9538 -0.2675781 2.542036 
1 1 1    0   14   11 o   30.346   0.5707  892.132   32.905  885.551   42.320  902.192   52.325   30.205   0.7218   30.487   0.8841 -0.2822113 1.141344 
1 1 1    0   14   12 o  155.895   1.1602 23506.99  332.071 23329.39  407.263 23859.26  573.588  155.025   1.3533  156.766   1.8849 -1.740097 2.320410 
1 1 1    0   14   13 o  316.072   1.3492 96824.12  813.537 96092.28  1055.04 97897.46  1277.70  314.610   1.7276  317.534   2.0729 -2.923981 2.698381 
1 1 1    0   14   14 o  160.908   1.0148 25115.50  316.113 25389.29  465.787 24881.72  430.409  161.720   1.4837  160.097   1.3849 1.622574 2.029671 
1 1 1    0   14   15 o  108.479   0.8237 11423.34  173.452 11324.11  244.898 11523.23  245.699  108.006   1.1681  108.951   1.1617 -0.9455643 1.647433 
1 1 1    0   14   16 o  325.326   1.2840 102777.90  810.888 103152.70  1149.19 102406.20  1144.36  325.917   1.8164  324.735   1.8154 1.181274 2.568085 
1 1 1    0   14   17 o   65.121   0.6483  4114.37   81.845  4165.00  119.062  4069.01  112.694   65.501   0.9364   64.742   0.8967 0.7586212 1.296507 
1 1 1    0   14   18 o  225.011   1.2700 49176.50  554.697 48869.98  779.832 49490.41  789.172  224.302   1.7910  225.721   1.8011 -1.418335 2.540020 
1 1 1    0   14   19 o  140.588   1.0139 19197.65  276.674 19203.44  393.281 19191.97  389.303  140.609   1.4409  140.568   1.4267 0.4098511E-01 2.027718 
1 1 1    0   14   20 o   76.277   0.7308  5649.79  108.184  5498.48  152.516  5803.02  153.478   75.249   1.0441   77.306   1.0228 -2.056602 1.461578 
1 1 1    0   14   21 o   89.702   0.7876  7814.67  137.131  7826.83  193.027  7802.28  194.850   89.773   1.1077   89.631   1.1199 0.1414871 1.575144 
1 1 1    0   14   22 o  103.267   0.9167 10360.19  183.735 10410.72  262.198 10311.45  257.546  103.514   1.3049  103.020   1.2879 0.4933090 1.833372 
1 1 1    0   14   23 o   56.281   0.7051  3077.97   76.991  2970.71  109.201  3183.98  108.566   55.304   1.0172   57.257   0.9768 -1.952419 1.410248 
1 1 1    0   14   24 o   41.607   0.7767  1683.22   62.681  1632.18   89.515  1732.33   87.799   40.987   1.1251   42.228   1.0711 -1.240692 1.553394 
1 1 1    0   14   25 o  130.318   1.0802 16517.08  273.250 16292.84  384.243 16746.51  388.662  129.423   1.5294  131.213   1.5259 -1.790161 2.160458 
1 1 1    0   14   26 o   53.617   0.7762  2797.19   80.690  2700.49  115.563  2889.18  112.715   52.710   1.1294   54.525   1.0649 -1.814686 1.552321 
1 1 1    0   14   27 o   68.173   0.8012  4522.02  105.945  4420.43  151.716  4618.70  148.012   67.423   1.1592   68.924   1.1063 -1.501320 1.602371 
1 1 1    0   14   28 o   51.771   0.8042  2603.15   80.540  2669.20  119.611  2548.36  108.937   52.365   1.1767   51.176   1.0966 1.189339 1.608450 
1 1 1    0   14   29 o   77.413   0.8386  5827.31  125.853  6085.96  183.773  5598.87  172.708   79.024   1.1980   75.802   1.1737 3.222122 1.677158 
1 1 1    0   14   30 o   25.516   1.2793  642.386   62.973  612.672   93.072  667.472   85.521   24.949   1.9218   26.082   1.6891 -1.133167 2.558570 
1 1 1    0   14   31 o   47.747   0.8518  2222.50   78.783  2362.74  116.114  2102.86  107.245   49.133   1.2174   46.361   1.1917 2.772728 1.703602 
1 1 1    0   14   32 o   14.759   2.2281  245.388   64.166  127.012   95.447  343.003   86.674   11.090   3.7400   18.429   2.4228 -7.339038 4.456168 
1 1 1    0   14   33 o   23.672   1.4474  562.011   65.861  675.378   96.368  462.649   90.219   25.958   1.9125   21.386   2.1732 4.571934 2.894881 
1 1 1    0   14   34 f   29.418   1.2736  869.948   72.650  902.523  105.878  840.966   99.871   29.925   1.8226   28.912   1.7795 1.013569 2.547294 
1 1 1    0   15    1 o  152.891   1.1442 22660.31  333.251 22515.11  430.969 22876.25  525.558  152.287   1.4579  153.495   1.7639 -1.207321 2.288350 
1 1 1    0   15    2 o  103.381   1.0013 10376.17  200.944 10369.48  284.182 10382.85  284.175  103.348   1.4165  103.414   1.4156 -0.6663513E-01 2.002624 
1 1 1    0   15    3 o  101.552   0.9919 10012.34  195.515  9985.56  275.027 10039.70  277.996  101.414   1.3970  101.689   1.4083 -0.2742691 1.983706 
1 1 1    0   15    4 o  174.031   1.3426 29414.31  453.566 29385.25  639.665 29443.70  643.228  173.945   1.8944  174.117   1.9031 -0.1724091 2.685253 
1 1 1    0   15    5 o  161.123   1.2924 25211.15  404.194 25375.94  570.672 25045.26  572.567  161.652   1.8186  160.594   1.8367 1.057556 2.584711 
1 1 1    0   15    6 o  131.030   1.1861 16663.58  301.629 16289.58  421.481 17056.20  431.845  129.524   1.6763  132.537   1.6785 -3.012711 2.372248 
1 1 1    0   15    7 o   99.854   0.8353  9701.63  158.304  9787.87  203.995  9571.09  250.992  100.415   1.0465   99.293   1.3022 1.121948 1.670623 
1 1 1    0   15    8 o  121.344   0.9461 14283.92  218.534 14244.50  282.408 14342.76  345.017  121.137   1.2010  121.551   1.4622 -0.4133987 1.892212 
1 1 1    0   15    9 o  196.700   1.1797 37600.17  447.398 37913.16  600.271 37209.00  671.062  197.624   1.5647  195.776   1.7658 1.848434 2.359327 
1 1 1    0   15   10 o  116.834   0.9422 13232.43  208.679 13168.55  267.403 13331.95  333.730  116.475   1.1827  117.192   1.4670 -0.7176208 1.884364 
1 1 1    0   15   11 o  280.478   1.2963 76347.28  693.719 76233.14  901.317 76513.19  1086.58  280.228   1.6569  280.729   1.9939 -0.5016174 2.592521 
1 1 1    0   15   12 o  182.245   1.1500 32274.35  397.951 32395.01  512.578 32091.26  631.391  182.678   1.4455  181.811   1.7890 0.8664398 2.299985 
1 1 1    0   15   13 o  321.541   1.4997 100322.50  885.513 100185.50  1087.95 100591.40  1524.20  321.237   1.7447  321.845   2.4397 -0.6079712 2.999319 
1 1 1    0   15   14 o  254.875   1.3109 63261.98  637.695 64147.95  832.396 62003.23  992.173  257.050   1.6682  252.701   2.0226 4.349152 2.621815 
1 1 1    0   15   15 o  173.814   1.0273 29329.25  346.585 29501.16  493.005 29161.28  487.335  174.318   1.4570  173.311   1.4486 1.006790 2.054517 
1 1 1    0   15   16 o  116.536   0.8579 13186.29  194.039 13036.15  275.416 13334.25  273.420  115.878   1.2244  117.196   1.2019 -1.317970 1.715701 
1 1 1    0   15   17 o  155.715   1.0019 23544.86  302.827 23588.61  430.426 23501.99  426.130  155.858   1.4227  155.572   1.4111 0.2858124 2.003768 
1 1 1    0   15   18 o   65.615   0.6720  4180.15   85.582  4147.31  121.773  4212.20  120.303   65.360   0.9598   65.870   0.9409 -0.5096512 1.344022 
1 1 1    0   15   19 o  112.167   0.8920 12219.22  194.212 12107.35  274.779 12330.89  274.535  111.654   1.2678  112.680   1.2551 -1.026703 1.783979 
1 1 1    0   15   20 o   62.753   0.6722  3824.00   81.856  3809.09  117.221  3838.19  114.357   62.633   0.9641   62.872   0.9370 -0.2394829 1.344440 
1 1 1    0   15   21 o   85.470   0.7755  7094.66  128.493  7093.10  186.495  7096.08  177.288   85.460   1.1242   85.480   1.0684 -0.2054596E-01 1.550923 
1 1 1    0   15   22 o   59.629   0.6981  3449.73   80.694  3515.95  117.613  3390.84  110.919   60.168   1.0070   59.090   0.9670 1.078686 1.396107 
1 1 1    0   15   23 o   58.243   0.7147  3291.87   80.745  3366.51  116.930  3223.83  111.637   58.873   1.0232   57.613   0.9982 1.260029 1.429438 
1 1 1    0   15   24 o   63.770   0.7304  3951.36   90.276  3933.45  131.121  3967.50  124.477   63.631   1.0616   63.909   1.0034 -0.2779884 1.460705 
1 1 1    0   15   25 o  115.932   1.0579 13069.38  237.998 13212.95  341.544 12933.87  331.826  116.549   1.5096  115.316   1.4824 1.232956 2.115761 
1 1 1    0   15   26 o   34.691   0.9813  1174.92   65.459  1137.27   98.762  1204.42   87.418   34.187   1.4882   35.194   1.2796 -1.006390 1.962663 
1 1 1    0   15   27 o   57.476   0.7855  3219.26   87.433  3066.91  125.973  3360.87  121.450   56.157   1.1556   58.796   1.0641 -2.638550 1.570906 
1 1 1    0   15   28 o   50.693   0.7990  2499.61   78.346  2518.26  115.987  2483.96  106.248   50.861   1.1748   50.525   1.0833 0.3364182 1.598015 
1 1 1    0   15   29 o   37.712   0.9439  1383.01   68.819  1437.47  102.782  1338.76   92.654   38.376   1.3797   37.048   1.2883 1.327629 1.887729 
1 1 1    0   15   30 o   43.149   0.8614  1819.92   72.071  1754.58  103.117  1882.32  100.771   42.383   1.2533   43.914   1.1821 -1.531002 1.722871 
1 1 1    0   15   31 o   22.557   1.4887  520.977   63.206  400.717   92.953  624.405   86.203   19.982   2.3964   25.133   1.7669 -5.150543 2.977359 
1 1 1    0   15   32 o   30.654   1.1193  922.627   66.356  996.406   99.181  862.843   89.280   31.747   1.6094   29.560   1.5559 2.186651 2.238518 
1 1 1    0   15   33 o   25.726   1.3620  657.237   67.450  788.752  100.645  550.011   90.877   28.073   1.8469   23.380   2.0024 4.692356 2.724050 
1 1 1    0   15   34 o   19.282   2.3400  398.902   82.126  366.554  101.511  460.188  139.724   18.578   2.8149   19.986   3.7389 -1.408405 4.680056 
1 1 1    0   16    0 o  166.580   1.5642 26943.33  505.794 26999.96  714.029 26886.30  716.579  166.755   2.2058  166.404   2.2184 0.3517456 3.128397 
1 1 1    0   16    1 o  168.537   1.2289 27593.71  395.926 27645.39  517.050 27520.46  615.606  168.735   1.5786  168.339   1.8839 0.3961487 2.457813 
1 1 1    0   16    2 o   54.045   0.6344  2835.50   66.552  2859.16   93.970  2811.68   94.267   54.271   0.8920   53.819   0.9023 0.4525261 1.268776 
1 1 1    0   16    3 o  101.887   1.0203 10076.92  201.772 10284.67  287.817  9876.14  282.943  102.920   1.4406  100.855   1.4452 2.064926 2.040614 
1 1 1    0   16    4 o   74.177   0.7884  5338.67  113.471  5250.38  157.719  5433.42  163.376   73.542   1.1048   74.813   1.1250 -1.270699 1.576761 
1 1 1    0   16    5 o   62.663   0.7257  3809.48   88.235  3957.10  126.367  3669.04  123.256   63.847   1.0196   61.479   1.0328 2.367924 1.451304 
1 1 1    0   16    6 o   76.044   0.8150  5612.09  120.292  5529.35  168.272  5698.56  172.029   75.471   1.1486   76.617   1.1567 -1.145920 1.630082 
1 1 1    0   16    7 o  142.173   1.2224 19621.59  337.318 19462.08  472.221 19787.78  482.010  141.583   1.7182  142.763   1.7393 -1.179260 2.444856 
1 1 1    0   16    8 o   95.308   0.8881  8817.97  164.294  8781.25  233.443  8854.00  231.267   95.112   1.2644   95.505   1.2474 -0.3933716 1.776180 
1 1 1    0   16    9 f  380.281   1.5462 140416.50  1139.81 140656.91  1572.10 140150.20  1654.95  380.627   2.1277  379.934   2.2439 0.6924744 3.092328 
1 1 1    0   16   10 o  159.376   1.0948 24661.38  334.893 24682.89  441.846 24632.34  513.385  159.460   1.4274  159.293   1.6603 0.1671448 2.189540 
1 1 1    0   16   11 f  125.604   1.0212 15256.82  243.452 15044.07  311.977 15588.12  389.311  124.491   1.2910  126.718   1.5827 -2.226990 2.042427 
1 1 1    0   16   12 o  272.521   1.2940 71949.19  671.830 71315.04  868.389 72894.63  1060.32  271.035   1.6505  274.007   1.9935 -2.971558 2.588084 
1 1 1    0   16   13 o   78.038   0.8795  5912.78  133.197  5970.69  186.890  5852.99  189.883   78.427   1.2276   77.649   1.2597 0.7771454 1.758965 
1 1 1    0   16   14 o  234.498   1.3891 53406.99  599.387 53436.00  738.316 53350.90  1026.54  234.607   1.6212  234.390   2.2562 0.2167969 2.778228 
1 1 1    0   16   15 o  120.196   1.0097 13997.26  227.159 13918.31  285.244 14134.14  375.583  119.738   1.2272  120.654   1.6036 -0.9159775 2.019319 
1 1 1    0   16   16 o  157.405   1.3080 24059.28  399.607 23531.11  561.041 24603.13  569.308  155.652   1.8568  159.159   1.8427 -3.506912 2.615980 
1 1 1    0   16   17 o  108.755   0.9364 11431.19  192.853 11247.36  246.005 11724.29  310.631  107.631   1.1775  109.879   1.4563 -2.248650 1.872788 
1 1 1    0   16   18 o   90.763   0.7778  7996.19  136.997  7710.80  192.173  8291.10  195.351   89.116   1.1109   92.409   1.0890 -3.293182 1.555643 
1 1 1    0   16   19 o   42.471   0.6574  1754.16   54.107  1650.40   77.016  1855.28   76.031   41.228   0.9623   43.714   0.8960 -2.485283 1.314869 
1 1 1    0   16   20 o  132.424   0.9490 17034.55  243.937 17053.83  346.868 17015.69  343.120  132.498   1.3486  132.350   1.3355 0.1471863 1.898010 
1 1 1    0   16   21 o  176.302   1.1989 30215.58  410.267 30179.56  582.910 30250.94  577.537  176.196   1.7043  176.408   1.6865 -0.2111206 2.397703 
1 1 1    0   16   22 o   98.489   0.8599  9423.61  164.398  9331.63  232.267  9515.95  232.722   98.007   1.2209   98.971   1.2113 -0.9638901 1.719825 
1 1 1    0   16   23 o   45.712   0.7251  2028.22   64.194  2050.58   94.241  2008.86   87.681   45.946   1.0566   45.478   0.9932 0.4676590 1.450147 
1 1 1    0   16   24 o   44.316   0.7580  1905.41   65.053  1945.18   95.811  1871.40   88.608   44.744   1.1031   43.889   1.0400 0.8541679 1.516089 
1 1 1    0   16   25 o  130.097   1.0798 16463.08  272.637 16643.79  390.541 16291.29  380.779  130.791   1.5382  129.403   1.5159 1.387863 2.159643 
1 1 1    0   16   26 o   56.154   0.7781  3069.39   84.672  2968.76  122.094  3162.63  117.525   55.263   1.1381   57.045   1.0613 -1.781605 1.556197 
1 1 1    0   16   27 o   51.959   0.7861  2620.34   78.971  2680.68  117.571  2570.73  106.598   52.499   1.1537   51.419   1.0680 1.080158 1.572113 
1 1 1    0   16   28 o   50.321   0.7981  2469.89   77.757  2379.49  112.869  2551.55  107.274   49.437   1.1761   51.206   1.0792 -1.768703 1.596251 
1 1 1    0   16   29 o   79.156   0.8387  6109.65  128.822  6007.71  183.527  6208.64  180.866   78.500   1.2044   79.812   1.1674 -1.312683 1.677316 
1 1 1    0   16   30 o   10.898   2.4649  120.133   58.680  116.022   89.174  123.273   77.931   10.838   3.6151   10.957   3.3518 -0.1185064 4.929825 
1 1 1    0   16   31 o   13.292   2.3162  194.206   59.582  154.434   92.429  222.483   77.936   12.026   3.6442   14.558   2.8599 -2.531545 4.632448 
1 1 1    0   16   32 o   42.335   0.8686  1767.15   70.726  1692.54  106.159  1826.70   94.840   41.492   1.3180   43.177   1.1315 -1.685631 1.737123 
1 1 1    0   16   33 f   29.864   1.7727  924.931  101.310  853.062  152.566  981.619  135.497   28.653   2.7430   31.075   2.2462 -2.422424 3.545319 
1 1 1    0   16   34 f   14.528   2.8661  253.064   96.217   90.186  137.842  407.835  134.367   10.369   4.2625   18.688   3.8326 -8.318247 5.732224 
1 1 1    0   17    1 o  193.820   1.2858 36410.90  477.538 36043.21  625.490 36924.70  739.391  192.658   1.6725  194.983   1.9535 -2.324265 2.571659 
1 1 1    0   17    2 o   97.741   1.0034  9275.36  190.385  9339.67  269.815  9211.59  268.678   98.078   1.4172   97.404   1.4210 0.6748962 2.006896 
1 1 1    0   17    3 o  140.690   1.2448 19220.88  339.941 19370.54  481.067 19071.62  480.431  141.237   1.7547  140.143   1.7660 1.094437 2.489506 
1 1 1    0   17    4 o  108.808   1.0663 11486.30  225.127 11179.61  313.164 11814.31  323.862  107.306   1.5034  110.310   1.5124 -3.003777 2.132551 
1 1 1    0   17    5 o  191.617   1.3975 35655.46  519.783 35512.00  730.561 35802.54  739.693  191.227   1.9681  192.007   1.9846 -0.7797699 2.794978 
1 1 1    0   17    6 o   89.451   0.9066  7764.05  157.375  7611.95  219.538  7924.84  225.715   88.550   1.2772   90.352   1.2869 -1.801483 1.813126 
1 1 1    0   17    7 o  207.797   1.4603 41920.78  589.001 41644.54  826.177 42206.31  839.940  207.101   2.0551  208.493   2.0754 -1.391449 2.920683 
1 1 1    0   17    8 o  132.822   0.9787 17035.49  247.942 16659.32  320.341 17597.55  391.574  131.005   1.2597  134.640   1.4982 -3.635376 1.957409 
1 1 1    0   17    9 o  334.753   1.5135 108592.60  979.018 106754.20  1318.00 110855.50  1462.30  331.602   2.0475  337.904   2.2294 -6.301422 3.026947 
1 1 1    0   17   10 o   73.562   0.7192  5206.02   98.834  5086.31  123.267  5421.50  165.384   72.389   0.8772   74.735   1.1400 -2.345810 1.438445 
1 1 1    0   17   11 o  310.596   1.4595 93817.65  872.505 94886.59  1164.37 92448.80  1317.61  312.624   1.9187  308.568   2.1997 4.056030 2.918938 
1 1 1    0   17   12 o   83.157   0.8176  6742.74  128.303  6844.79  163.959  6581.52  206.074   83.974   1.0058   82.341   1.2893 1.633018 1.635206 
1 1 1    0   17   13 o   46.710   0.6730  2091.10   59.606  1999.87   75.766  2239.27   96.555   45.391   0.8599   48.030   1.0356 -2.639290 1.346069 
1 1 1    0   17   14 o   70.856   0.7593  4825.40  100.716  4697.53  125.880  5052.87  167.897   69.566   0.9322   72.146   1.1988 -2.580681 1.518610 
1 1 1    0   17   15 o  205.883   1.3523 41072.85  513.500 40874.16  633.288 41454.24  877.394  205.175   1.5900  206.592   2.1878 -1.416107 2.704613 
1 1 1    0   17   16 o  227.211   1.3042 50212.97  563.393 50489.30  727.790 49799.79  889.972  228.010   1.6443  226.413   2.0249 1.597031 2.608478 
1 1 1    0   17   17 o  196.474   1.3490 37586.95  511.938 38469.01  695.057 36541.05  756.865  199.009   1.7992  193.939   2.0104 5.069351 2.697957 
1 1 1    0   17   18 o  175.659   1.2232 30019.75  406.536 30173.01  520.462 29779.92  651.084  176.253   1.5212  175.065   1.9159 1.188477 2.446373 
1 1 1    0   17   19 o  102.730   1.0259 10174.52  197.788  9957.08  248.362 10551.51  327.027  101.252   1.2636  104.208   1.6166 -2.956314 2.051899 
1 1 1    0   17   20 o  132.260   1.1085 16913.47  280.009 16539.32  362.877 17464.12  440.223  130.474   1.4327  134.046   1.6918 -3.571777 2.216985 
1 1 1    0   17   21 o   44.574   0.8234  1944.66   69.345  1997.41   89.095  1863.59  110.447   45.351   1.0120   43.797   1.2991 1.553932 1.646786 
1 1 1    0   17   22 o   69.590   0.7225  4706.05   97.529  4618.59  139.706  4789.19  136.215   68.958   1.0437   70.222   0.9993 -1.264030 1.444921 
1 1 1    0   17   23 f   30.532   0.9142  920.586   53.230  804.219   79.875  1013.55   71.393   28.764   1.4306   32.300   1.1387 -3.536039 1.828391 
1 1 1    0   17   24 o   65.493   0.7487  4169.39   94.835  4144.82  140.063  4190.19  128.868   65.312   1.1048   65.674   1.0108 -0.3624649 1.497433 
1 1 1    0   17   25 o   80.134   0.8218  6237.97  127.702  6322.32  185.457  6161.92  176.102   80.646   1.1847   79.621   1.1394 1.024963 1.643662 
1 1 1    0   17   26 o   71.403   0.7856  4958.90  108.711  4900.42  157.776  5011.76  149.999   70.998   1.1448   71.807   1.0761 -0.8087769 1.571163 
1 1 1    0   17   27 o   99.146   0.9408  9568.05  180.981  9609.59  260.381  9529.22  251.729   99.350   1.3501   98.942   1.3107 0.4075470 1.881670 
1 1 1    0   17   28 o   42.388   0.8426  1755.16   68.667  1708.39  103.824  1791.52   91.550   41.874   1.2773   42.902   1.0993 -1.027977 1.685202 
1 1 1    0   17   29 o   58.749   0.9443  3395.78  105.033  3498.52  135.584  3241.59  166.095   59.908   1.1659   57.589   1.4858 2.319118 1.888595 
1 1 1    0   17   30 f   14.667   2.4799  232.400   69.747  261.281   92.993  195.261  105.452   15.804   3.1418   13.530   3.8378 2.274005 4.959820 
1 1 1    0   17   31 o   38.451   1.1284  1454.63   82.421  1442.68  106.006  1472.90  131.063   38.312   1.4254   38.589   1.7497 -0.2770767 2.256766 
1 1 1    0   17   32 o   26.082   1.5393  683.661   76.057  680.726   97.494  688.224  121.571   26.112   1.9234   26.053   2.4039 0.5945206E-01 3.078645 
1 1 1    0   17   33 o   44.772   1.1060  1975.98   92.400  1935.53  115.257  2048.74  154.584   44.273   1.3411   45.272   1.7590 -0.9985428 2.211953 
1 1 1    0   17   34 o   20.288   2.6732  491.202  100.122  339.964  146.787  622.785  136.917   16.476   4.4741   24.099   2.9268 -7.623310 5.346392 
1 1 1    0   18    0 o  222.365   2.1667 48114.02  894.446 48327.02  1114.07 47727.71  1500.33  223.082   2.5727  221.647   3.4871 1.435501 4.333383 
1 1 1    0   18    1 o  172.087   1.2340 28783.17  406.373 28918.04  532.497 28595.08  628.843  172.577   1.5895  171.597   1.8879 0.9800568 2.467912 
1 1 1    0   18    2 o   66.428   1.7471  4282.32  225.026  3999.29  313.207  4584.28  323.511   64.161   2.5148   68.696   2.4260 -4.534676 3.494220 
1 1 1    0   18    3 o  119.292   1.1101 13808.33  256.960 13523.62  357.282 14113.40  369.835  118.019   1.5595  120.565   1.5802 -2.545479 2.220198 
1 1 1    0   18    4 o  145.953   1.2170 20683.55  344.762 20607.69  483.859 20761.79  491.362  145.682   1.7110  146.225   1.7311 -0.5429382 2.433948 
1 1 1    0   18    5 o  172.619   1.4760 28862.23  485.727 28550.63  628.489 29324.42  765.418  171.473   1.8881  173.765   2.2692 -2.291565 2.952003 
1 1 1    0   18    6 o  158.610   1.2925 24425.52  397.945 24552.47  561.507 24297.41  564.059  159.024   1.8190  158.196   1.8368 0.8286591 2.585062 
1 1 1    0   18    7 o  106.715   1.0598 11052.43  219.510 10928.50  306.972 11182.12  314.017  106.103   1.4904  107.326   1.5072 -1.223923 2.119693 
1 1 1    0   18    8 o  351.609   1.4932 120072.60  1017.50 120860.50  1402.27 119196.30  1478.70  352.831   2.0474  350.387   2.1740 2.443665 2.986343 
1 1 1    0   18    9 o  243.807   1.2838 57754.57  605.201 58269.17  822.140 57145.88  894.157  244.996   1.7287  242.619   1.8986 2.377823 2.567674 
1 1 1    0   18   10 o  150.867   1.0700 22072.07  308.540 21963.68  402.119 22227.23  481.112  150.419   1.3772  151.315   1.6379 -0.8953094 2.139965 
1 1 1    0   18   11 o  113.028   0.9596 12438.43  205.346 12572.41  263.574 12231.53  327.548  113.807   1.1931  112.249   1.5032 1.557167 1.919154 
1 1 1    0   18   12 o  129.081   1.0207 16178.76  251.201 16194.90  326.041 16155.19  394.047  129.163   1.3004  129.000   1.5736 0.1630249 2.041366 
1 1 1    0   18   13 o  182.113   1.2177 32199.40  426.179 32204.09  564.295 32193.16  650.213  182.132   1.5961  182.094   1.8395 0.3802490E-01 2.435394 
1 1 1    0   18   14 o  145.691   1.1097 20593.70  305.208 20546.29  388.504 20670.12  493.277  145.477   1.3757  145.904   1.7416 -0.4268799 2.219446 
1 1 1    0   18   15 o  146.642   1.1027 20927.27  305.343 21087.05  389.812 20673.56  491.193  147.375   1.3626  145.909   1.7342 1.466049 2.205494 
1 1 1    0   18   16 o  157.488   1.1510 24093.24  341.650 24109.70  434.117 24066.46  553.768  157.571   1.4193  157.406   1.8123 0.1647491 2.301940 
1 1 1    0   18   17 o   60.217   0.7498  3494.80   85.100  3416.58  107.539  3625.83  139.195   59.324   0.9338   61.110   1.1734 -1.785980 1.499637 
1 1 1    0   18   18 o  227.758   1.7363 50442.60  767.536 50968.02  1096.77 49938.31  1074.49  228.918   2.4682  226.598   2.4428 2.319397 3.472587 
1 1 1    0   18   19 o   84.954   0.8873  6960.35  140.550  6836.58  175.066  7184.77  235.743   83.906   1.0748   86.001   1.4121 -2.094765 1.774637 
1 1 1    0   18   20 o  154.341   1.2061 23201.81  351.241 23361.32  447.802 22946.76  566.248  155.059   1.4877  153.624   1.8988 1.434326 2.412229 
1 1 1    0   18   21 o  102.496   1.0875 10186.44  206.988 10126.96  257.247 10295.68  348.593  102.094   1.2980  102.899   1.7452 -0.8047180 2.174988 
1 1 1    0   18   22 o   71.353   0.8732  4969.75  116.718  5037.59  147.462  4855.96  190.979   72.017   1.0548   70.688   1.3918 1.329201 1.746350 
1 1 1    0   18   23 o   92.604   1.0224  8258.91  175.117  8087.25  215.847  8589.49  299.533   91.230   1.2188   93.978   1.6419 -2.747223 2.044867 
1 1 1    0   18   24 o   37.495   0.9778  1362.65   70.896  1320.48   95.558  1414.28  105.737   36.854   1.3357   38.136   1.4283 -1.281937 1.955573 
1 1 1    0   18   25 o   90.616   1.0477  8096.35  178.282  8446.59  227.963  7544.78  286.077   93.204   1.2600   88.027   1.6742 5.176353 2.095333 
1 1 1    0   18   26 o   48.145   0.9344  2257.10   85.529  2266.23  110.449  2243.42  135.175   48.278   1.1785   48.013   1.4504 0.2654419 1.868823 
1 1 1    0   18   27 o   40.015   1.0621  1566.26   81.639  1603.00  108.642  1518.61  123.735   40.569   1.3795   39.462   1.6153 1.107609 2.124224 
1 1 1    0   18   28 o   45.748   0.9801  2056.01   85.143  2118.47  110.513  1964.78  133.555   46.633   1.2208   44.862   1.5336 1.770939 1.960188 
1 1 1    0   18   29 o   59.053   1.1434  3430.81  129.475  3297.43  196.965  3532.30  171.812   57.994   1.7496   60.112   1.4724 -2.117706 2.286706 
1 1 1    0   18   30 f   23.992   1.5504  559.007   71.390  471.912   93.439  681.143  110.651   21.793   2.2088   26.191   2.1764 -4.397999 3.100857 
1 1 1    0   18   31 o   25.979   1.4682  672.691   72.683  672.914   94.315  672.364  114.054   26.050   1.8651   25.908   2.2678 0.1418362 2.936302 
1 1 1    0   18   32 o   25.994   1.5234  682.552   75.255  692.520   97.528  667.883  118.310   26.330   1.9081   25.658   2.3754 0.6717968 3.046852 
1 1 1    0   18   33 o   35.351   1.2944  1264.26   86.017  1300.38  109.866  1207.07  138.265   36.163   1.5651   34.539   2.0622 1.623909 2.588836 
1 1 1    0   19    1 o  146.650   1.1022 20845.38  307.143 20708.84  395.130 21053.83  488.221  146.049   1.3937  147.251   1.7080 -1.201172 2.204497 
1 1 1    0   19    2 o  151.718   1.2784 22352.17  376.503 22373.10  530.408 22330.92  534.526  151.790   1.8001  151.646   1.8158 0.1437836 2.556875 
1 1 1    0   19    3 o   34.050   0.4983  1120.71   32.838  1067.34   44.421  1185.01   48.761   33.160   0.6901   34.940   0.7189 -1.779991 0.9965339 
1 1 1    0   19    4 o  174.732   1.3618 29646.47  461.873 29648.35  649.522 29644.56  656.915  174.738   1.9149  174.726   1.9368 0.1202393E-01 2.723593 
1 1 1    0   19    5 o  314.252   1.7345 95928.99  1050.46 96104.60  1404.60 95706.10  1582.40  314.590   2.3001  313.915   2.5968 0.6747437 3.468967 
1 1 1    0   19    6 o  331.021   1.8749 106399.30  1204.42 105881.80  1682.23 106943.50  1725.19  330.198   2.6245  331.845   2.6782 -1.647491 3.749734 
1 1 1    0   19    7 o  242.260   1.5418 56949.50  724.732 55958.11  1006.78 58015.71  1044.08  240.074   2.1604  244.447   2.2003 -4.372528 3.083596 
1 1 1    0   19    8 o  424.082   2.0014 174616.70  1647.05 173636.41  2296.89 175654.41  2363.07  422.859   2.7982  425.304   2.8623 -2.445343 4.002819 
1 1 1    0   19    9 o  106.865   0.9039 10984.16  182.022 10678.79  229.693 11499.65  298.434  104.888   1.1281  108.841   1.4125 -3.953857 1.807712 
1 1 1    0   19   10 o   72.952   0.7127  5148.22   97.892  5094.31  123.843  5237.99  159.816   72.446   0.8806   73.459   1.1208 -1.013138 1.425349 
1 1 1    0   19   11 o  109.043   0.9458 11558.93  195.314 11618.83  250.428 11465.91  312.062  109.406   1.1792  108.680   1.4792 0.7258453 1.891690 
1 1 1    0   19   12 o  133.416   1.1865 17281.30  307.260 17024.56  434.035 17539.22  435.030  132.422   1.6885  134.409   1.6673 -1.987122 2.372979 
1 1 1    0   19   13 o  188.064   1.2564 34369.99  453.902 34556.78  601.088 34122.16  692.375  188.664   1.6413  187.464   1.9026 1.199158 2.512743 
1 1 1    0   19   14 o  215.781   1.3119 45266.16  546.156 45704.35  734.749 44725.08  816.458  216.956   1.7446  214.607   1.9599 2.348480 2.623883 
1 1 1    0   19   15 o   87.956   0.8637  7495.84  141.940  7455.70  177.803  7566.36  235.676   87.636   1.0452   88.277   1.3753 -0.6412964 1.727398 
1 1 1    0   19   16 o  106.248   0.9925 10975.77  196.628 11012.13  246.189 10911.72  326.763  106.499   1.1909  105.998   1.5881 0.5006485 1.984970 
1 1 1    0   19   17 o  145.825   1.1424 20634.13  314.055 20573.04  398.820 20733.82  509.528  145.553   1.4115  146.097   1.7966 -0.5442505 2.284812 
1 1 1    0   19   18 o   72.213   0.8215  5059.81  111.523  5047.48  141.031  5080.39  182.194   72.100   1.0077   72.326   1.2977 -0.2255402 1.642986 
1 1 1    0   19   19 o  118.574   1.1480 13669.98  263.997 13874.90  367.192 13450.71  379.824  119.497   1.5830  117.650   1.6631 1.847557 2.296034 
1 1 1    0   19   20 o   90.548   1.0080  7866.02  167.998  7661.17  205.709  8276.28  291.111   88.813   1.1932   92.282   1.6251 -3.468842 2.016089 
1 1 1    0   19   21 o  104.070   1.0350 10462.16  201.392 10294.26  251.880 10759.73  335.321  102.937   1.2605  105.203   1.6420 -2.266045 2.070045 
1 1 1    0   19   22 o   68.665   0.8406  4589.02  108.773  4615.97  138.355  4545.39  176.012   68.938   1.0339   68.393   1.3258 0.5448990 1.681236 
1 1 1    0   19   23 o   70.759   0.8697  4779.13  114.468  4577.82  141.419  5161.59  194.927   68.647   1.0613   72.871   1.3780 -4.223686 1.739316 
1 1 1    0   19   24 o   60.998   0.8659  3631.67   99.760  3684.58  127.665  3548.70  159.870   61.581   1.0680   60.415   1.3632 1.166084 1.731721 
1 1 1    0   19   25 o   96.267   1.1025  9035.30  195.959  9072.02  242.530  8966.25  332.579   96.589   1.2935   95.944   1.7857 0.6456299 2.204988 
1 1 1    0   19   26 o   34.637   1.1082  1168.70   73.495  1171.06   96.362  1165.42  113.637   34.688   1.4311   34.586   1.6926 0.1024055 2.216490 
1 1 1    0   19   27 o   86.971   1.0457  7376.95  169.409  7387.23  211.767  7358.66  282.336   87.108   1.2524   86.834   1.6750 0.2736969 2.091423 
1 1 1    0   19   28 o   48.524   0.9533  2297.42   87.895  2302.17  113.345  2290.26  139.209   48.611   1.2012   48.438   1.4805 0.1731529 1.906513 
1 1 1    0   19   29 o   72.177   1.1234  5098.40  157.059  5130.67  230.162  5070.27  214.856   72.371   1.6383   71.983   1.5376 0.3878174 2.246885 
1 1 1    0   19   30 o   45.488   1.0049  2031.93   86.975  2044.21  112.595  2013.77  136.953   45.705   1.2691   45.270   1.5585 0.4352722 2.009814 
1 1 1    0   19   31 o   28.825   1.3561  833.048   74.591  875.206   98.503  776.379  114.204   29.757   1.7053   27.894   2.1092 1.863205 2.712290 
1 1 1    0   19   32 o   11.124   2.6484  107.642   73.884   21.630   97.984  220.993  112.484   8.2840   3.5125   13.964   3.9647 -5.680147 5.296806 
1 1 1    0   19   33 o   37.681   1.2567  1412.32   89.996  1371.08  115.348  1476.50  143.877   37.095   1.6019   38.266   1.9369 -1.171497 2.513482 
1 1 1    0   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20    1 o  217.939   1.3795 46174.18  578.123 46497.20  768.261 45752.45  877.831  218.827   1.8086  217.051   2.0835 1.775177 2.758951 
1 1 1    0   20    2 o  199.910   1.4272 38804.49  553.781 38529.21  776.954 39088.75  789.527  199.190   2.0094  200.630   2.0272 -1.440231 2.854349 
1 1 1    0   20    3 o  142.167   1.2206 19623.48  336.837 19767.83  476.476 19479.27  476.242  142.689   1.7202  141.644   1.7321 1.045624 2.441149 
1 1 1    0   20    4 o  191.513   1.4067 35612.37  522.937 35713.45  737.206 35510.00  741.907  191.787   1.9802  191.239   1.9985 0.5476990 2.813393 
1 1 1    0   20    5 f  112.379   1.1492 12283.67  249.932 11923.63  364.977 12601.59  342.965  110.825   1.6965  113.934   1.5507 -3.109291 2.298468 
1 1 1    0   20    6 o  116.635   1.0857 13205.59  245.802 13151.84  346.874 13259.81  348.364  116.396   1.5352  116.873   1.5355 -0.4768295 2.171327 
1 1 1    0   20    7 o  251.248   1.5725 61283.39  766.757 61070.20  1072.03 61506.68  1097.12  250.802   2.2020  251.695   2.2455 -0.8931274 3.144994 
1 1 1    0   20    8 o  229.089   1.5380 50948.87  683.808 50692.02  956.587 51217.27  977.865  228.500   2.1566  229.679   2.1933 -1.179535 3.075946 
1 1 1    0   20    9 o  106.916   0.9070 11079.53  183.528 11021.78  234.454 11170.90  294.926  106.558   1.1335  107.274   1.4163 -0.7154922 1.814007 
1 1 1    0   20   10 o  182.316   1.1787 32291.91  413.629 32451.12  551.005 32086.37  626.082  182.833   1.5525  181.798   1.7741 1.035706 2.357479 
1 1 1    0   20   11 o  137.157   1.0496 18276.48  274.823 18341.29  357.934 18183.41  428.951  137.456   1.3415  136.858   1.6146 0.5977020 2.099167 
1 1 1    0   20   12 o   50.958   0.6776  2539.18   65.324  2607.79   84.113  2434.91  103.694   51.833   0.8360   50.084   1.0666 1.748596 1.355145 
1 1 1    0   20   13 o  101.923   0.9256 10079.31  178.818 10059.09  229.262 10110.72  285.737  101.795   1.1602  102.051   1.4424 -0.2563324 1.851110 
1 1 1    0   20   14 o   60.383   0.7205  3559.75   82.416  3636.24  106.209  3443.98  130.664   61.204   0.8939   59.562   1.1301 1.642151 1.440930 
1 1 1    0   20   15 o  166.536   1.2252 26943.37  390.766 26981.33  512.542 26890.67  603.877  166.685   1.5840  166.387   1.8697 0.2979431 2.450476 
1 1 1    0   20   16 o  178.911   1.2060 31112.88  408.169 31195.91  522.021 30982.25  654.744  179.232   1.5004  178.589   1.8886 0.6426849 2.412092 
1 1 1    0   20   17 o   52.547   0.7393  2669.90   73.557  2632.41   93.849  2729.61  118.445   52.072   0.9284   53.021   1.1508 -0.9491386 1.478631 
1 1 1    0   20   18 o   38.352   0.7831  1428.41   57.517  1428.72   75.422  1427.97   88.915   38.359   1.0129   38.346   1.1945 0.1322937E-01 1.566159 
1 1 1    0   20   19 o   72.221   0.8710  5045.13  117.716  4988.58  147.559  5144.11  195.223   71.673   1.0606   72.769   1.3820 -1.095444 1.742089 
1 1 1    0   20   20 o   89.581   1.0469  7789.31  181.903  8002.02  263.618  7595.98  251.322   90.746   1.4965   88.416   1.4643 2.330116 2.093746 
1 1 1    0   20   21 o   69.046   0.8388  4666.17  108.958  4779.24  138.924  4485.45  175.631   70.149   1.0202   67.944   1.3316 2.205597 1.677530 
1 1 1    0   20   22 f   83.766   0.9841  6796.63  153.277  6740.78  190.683  6898.62  257.672   83.297   1.1793   84.234   1.5758 -0.9376297 1.968249 
1 1 1    0   20   23 o   89.828   0.9797  7900.27  165.468  8079.01  210.678  7612.49  267.325   91.182   1.1903   88.474   1.5565 2.708191 1.959473 
1 1 1    0   20   24 o  105.165   1.1449 10665.55  222.840 10452.27  274.932 11073.98  380.467  103.683   1.3660  106.646   1.8378 -2.963478 2.289892 
1 1 1    0   20   25 o   38.875   1.1144  1462.75   83.595  1542.43  126.567  1401.08  111.336   39.805   1.6380   37.945   1.5115 1.859207 2.228856 
1 1 1    0   20   26 o   25.370   1.3984  642.940   67.245  739.309   90.803  525.907  100.066   27.544   1.6983   23.197   2.2222 4.346106 2.796859 
1 1 1    0   20   27 f   23.176   1.5177  517.902   67.710  460.013   89.080  597.112  104.201   21.670   2.1177   24.683   2.1748 -3.012671 3.035490 
1 1 1    0   20   28 o   54.466   0.9283  2904.70   95.939  2949.95  123.818  2836.71  151.762   55.027   1.1592   53.904   1.4504 1.123337 1.856663 
1 1 1    0   20   29 o   14.963   2.4731  233.886   70.194  220.269   93.833  251.189  105.773   14.488   3.3956   15.437   3.5965 -0.9491758 4.946205 
1 1 1    0   20   30 o   73.010   0.9879  5217.46  135.076  5187.47  169.815  5269.11  222.879   72.824   1.2013   73.196   1.5686 -0.3717880 1.975744 
1 1 1    0   20   31 o   38.526   1.0764  1454.03   79.609  1408.18  104.370  1517.83  123.105   37.841   1.4209   39.211   1.6173 -1.370064 2.152824 
1 1 1    0   20   32 o   10.599   2.7427  109.998   75.172  140.423   99.727   69.965  114.395   11.416   3.8230   9.7818   3.9336 1.634695 5.485315 
1 1 1    0   20   33 o   32.782   1.3915  1111.19   85.734  1213.85  111.870  965.092  133.458   34.853   1.6535   30.712   2.2386 4.140999 2.783087 
1 1 1    0   21    1 o   80.678   0.7544  6324.24  113.733  6340.29  142.766  6296.36  188.158   80.820   0.9100   80.537   1.2035 0.2830276 1.508846 
1 1 1    0   21    2 o   70.543   0.6831  4798.67   89.211  4726.72  110.225  4935.30  151.895   69.783   0.8137   71.304   1.0974 -1.521248 1.366161 
1 1 1    0   21    3 f  204.405   1.4508 40567.78  575.586 40589.95  808.458 40544.99  819.662  204.462   2.0369  204.348   2.0663 0.1143341 2.901525 
1 1 1    0   21    4 o   58.168   0.6851  3281.25   77.308  3199.11  107.119  3370.55  111.683   57.409   0.9612   58.927   0.9764 -1.518120 1.370112 
1 1 1    0   21    5 o  126.182   1.1761 15449.70  287.993 15158.94  401.637 15757.42  413.176  124.961   1.6557  127.404   1.6707 -2.442635 2.352149 
1 1 1    0   21    6 o  122.343   1.2113 14564.21  286.502 14115.12  421.027 14951.51  390.989  120.581   1.7987  124.105   1.6230 -3.523499 2.422695 
1 1 1    0   21    7 o  156.237   1.2982 23695.93  393.659 23625.12  551.783 23769.34  561.789  155.999   1.8221  156.474   1.8495 -0.4748993 2.596340 
1 1 1    0   21    8 o  194.964   1.4386 36899.01  544.327 36672.04  761.320 37136.38  778.559  194.351   2.0180  195.576   2.0507 -1.225647 2.877108 
1 1 1    0   21    9 f  116.502   0.9434 13161.90  208.242 13113.70  266.663 13237.24  333.385  116.231   1.1819  116.774   1.4707 -0.5427322 1.886780 
1 1 1    0   21   10 o   23.822   0.6992  541.267   32.048  471.175   42.203  636.743   49.256   22.032   0.9868   25.612   0.9907 -3.580103 1.398311 
1 1 1    0   21   11 o   60.972   0.6936  3620.40   79.545  3656.99  100.989  3560.61  129.107   61.380   0.8476   60.565   1.0982 0.8156548 1.387210 
1 1 1    0   21   12 o  134.244   1.0567 17514.50  270.979 17605.36  353.620 17385.26  421.769  134.669   1.3527  133.819   1.6236 0.8496857 2.113308 
1 1 1    0   21   13 o  136.684   1.0784 18127.59  281.502 18077.64  366.391 18199.55  439.795  136.458   1.3832  136.910   1.6548 -0.4519348 2.156765 
1 1 1    0   21   14 o   94.089   0.9092  8584.02  160.791  8552.17  203.204  8637.35  262.966   93.859   1.1153   94.319   1.4363 -0.4597473 1.818454 
1 1 1    0   21   15 o  103.213   0.9537 10327.99  185.415 10278.41  235.055 10409.66  301.669  102.891   1.1769  103.535   1.5010 -0.6444016 1.907357 
1 1 1    0   21   16 o   64.899   0.7619  4051.66   93.315  3935.13  118.002  4246.17  152.453   63.667   0.9548   66.131   1.1876 -2.464405 1.523806 
1 1 1    0   21   17 o  147.530   1.1750 21157.65  330.181 21216.04  427.832 21071.65  519.218  147.794   1.4913  147.265   1.8163 0.5294647 2.350052 
1 1 1    0   21   18 o   21.566   1.1581  445.847   47.783  349.906   63.970  566.941   71.868   18.975   1.7367   24.157   1.5326 -5.181606 2.316267 
1 1 1    0   21   19 f  185.285   1.3403 33263.07  473.333 32780.88  611.697 33982.65  747.257  183.646   1.7159  186.923   2.0594 -3.277084 2.680565 
1 1 1    0   21   20 o   33.384   0.9028  1066.11   57.761  985.945   74.865  1184.02   90.791   31.859   1.2106   34.909   1.3398 -3.050474 1.805697 
1 1 1    0   21   21 o   78.095   1.0555  5927.38  160.010  6000.65  227.365  5855.48  225.227   78.574   1.4907   77.617   1.4948 0.9565811 2.111079 
1 1 1    0   21   22 o   45.055   0.8437  1983.31   72.759  2043.57   96.075  1902.26  111.414   45.867   1.0791   44.244   1.2972 1.622452 1.687373 
1 1 1    0   21   23 o   38.000   0.9316  1403.92   68.426  1406.42   92.617  1400.91  101.535   38.040   1.2543   37.960   1.3779 0.7998276E-01 1.863282 
1 1 1    0   21   24 o   75.498   0.9208  5584.41  131.268  5734.76  168.482  5352.17  209.400   76.817   1.1299   74.179   1.4542 2.638321 1.841574 
1 1 1    0   21   25 o   57.425   0.8769  3218.80   96.285  3281.64  126.417  3132.00  148.590   58.104   1.1208   56.746   1.3489 1.358826 1.753811 
1 1 1    0   21   26 o   21.116   1.6152  440.616   65.318  469.363   87.383  404.216   98.329   21.921   2.0535   20.312   2.4938 1.608624 3.230489 
1 1 1    0   21   27 o   14.697   2.3603  221.215   65.479  206.805   87.483  239.572   98.739   14.163   3.2508   15.231   3.4230 -1.067310 4.720683 
1 1 1    0   21   28 o   67.480   0.9519  4419.54  121.257  4343.63  153.826  4544.12  197.061   66.758   1.1870   68.201   1.4885 -1.442459 1.903838 
1 1 1    0   21   29 o   80.835   1.0211  6434.22  154.256  6547.12  194.510  6242.88  253.228   81.890   1.2236   79.781   1.6351 2.108910 2.042262 
1 1 1    0   21   30 o   52.281   0.9441  2688.85   93.764  2724.43  121.227  2635.88  147.930   52.769   1.1835   51.792   1.4714 0.9771805 1.888268 
1 1 1    0   21   31 o   42.121   1.0329  1753.94   83.254  1789.03  109.606  1706.09  128.001   42.676   1.3231   41.566   1.5864 1.109619 2.065727 
1 1 1    0   21   32 o   9.3086   2.6241   60.689   73.373   98.205   98.108   13.074  110.527   10.128   3.7543   8.4893   3.6672 1.638727 5.248181 
1 1 1    0   21   33 o   33.374   1.5430  1129.14   98.980  1212.66  152.930  1068.94  129.844   34.336   2.2945   32.412   2.0637 1.923813 3.086003 
1 1 1    0   22    0 o  404.185   2.7553 158563.91  2159.79 156500.59  2982.30 160839.50  3131.99  401.427   3.8272  406.944   3.9648 -5.517426 5.510624 
1 1 1    0   22    1 o  276.999   1.5235 74420.75  813.011 73858.86  1083.31 75145.36  1230.19  275.810   2.0234  278.189   2.2781 -2.379028 3.046914 
1 1 1    0   22    2 o   69.346   0.6790  4622.04   87.057  4521.50  107.234  4816.38  149.098   68.252   0.8094   70.440   1.0904 -2.188896 1.357965 
1 1 1    0   22    3 o  168.824   1.3144 27670.33  430.748 27723.55  610.545 27617.58  607.803  168.986   1.8612  168.663   1.8564 0.3231659 2.628793 
1 1 1    0   22    4 o  337.651   1.8913 110707.30  1239.57 112093.00  1757.25 109334.90  1748.80  339.755   2.6644  335.548   2.6849 4.207214 3.782539 
1 1 1    0   22    5 o  281.876   1.6275 77146.41  890.508 77669.34  1256.76 76619.12  1262.00  282.836   2.2890  280.916   2.3143 1.919739 3.255081 
1 1 1    0   22    6 o   39.757   0.5821  1533.58   44.898  1516.37   62.318  1552.17   64.743   39.525   0.8122   39.989   0.8340 -0.4637451 1.164180 
1 1 1    0   22    7 o   86.632   0.9206  7281.51  154.745  7163.52  215.161  7407.94  222.721   85.905   1.2903   87.358   1.3134 -1.453079 1.841125 
1 1 1    0   22    8 o   11.230   1.3431  124.355   28.658  122.242   41.130  126.350   39.952   11.052   1.9903   11.408   1.8041 -0.3560495 2.686292 
1 1 1    0   22    9 o  333.813   1.7538 108218.30  1136.24 108915.70  1594.87 107499.50  1619.20  334.907   2.4532  332.719   2.5070 2.187988 3.507617 
1 1 1    0   22   10 o  128.492   1.0301 15991.86  252.238 15842.87  326.214 16213.39  397.774  127.752   1.3154  129.232   1.5856 -1.480820 2.060238 
1 1 1    0   22   11 o  162.471   1.1469 25687.70  357.466 26039.97  472.559 25216.50  546.539  163.779   1.4864  161.162   1.7470 2.616745 2.293766 
1 1 1    0   22   12 o  155.456   1.1548 23507.92  343.993 23750.29  452.933 23177.57  528.787  156.408   1.4918  154.503   1.7631 1.905304 2.309541 
1 1 1    0   22   13 o  187.534   1.2369 34131.19  446.449 34011.55  593.404 34287.23  677.710  187.161   1.6333  187.907   1.8580 -0.7466125 2.473809 
1 1 1    0   22   14 o  200.139   1.2876 38963.50  496.607 39425.39  665.647 38383.70  745.783  201.487   1.7019  198.791   1.9326 2.695999 2.575174 
1 1 1    0   22   15 o  160.978   1.1920 25132.47  366.523 24966.79  476.816 25371.75  573.032  160.340   1.5319  161.616   1.8265 -1.275970 2.383929 
1 1 1    0   22   16 o   44.160   0.7235  1887.09   61.390  1851.23   80.893  1935.79   94.272   43.668   0.9543   44.652   1.0876 -0.9846306 1.446911 
1 1 1    0   22   17 o   39.212   0.7844  1498.89   59.245  1545.26   79.710  1441.65   88.558   39.893   1.0293   38.530   1.1840 1.363026 1.568887 
1 1 1    0   22   18 o   79.037   0.8419  6107.91  125.926  6260.00  162.145  5876.74  199.895   80.291   1.0403   77.783   1.3239 2.507919 1.683733 
1 1 1    0   22   19 o   28.437   0.9909  764.839   53.938  659.888   69.628  922.326   85.293   26.063   1.3763   30.811   1.4261 -4.748678 1.981853 
1 1 1    0   22   20 o   97.077   1.0338  9192.25  185.066  9267.85  228.963  9049.77  314.307   97.674   1.2076   96.479   1.6783 1.195618 2.067562 
1 1 1    0   22   21 o   43.057   0.8286  1801.30   68.261  1802.85   89.316  1799.12  105.848   43.083   1.0680   43.032   1.2672 0.5102539E-01 1.657179 
1 1 1    0   22   22 o   83.378   1.0710  6756.32  173.246  6834.53  249.717  6683.75  240.553   83.841   1.5344   82.915   1.4946 0.9262314 2.141962 
1 1 1    0   22   23 f   74.487   1.0551  5401.25  152.386  5264.36  219.013  5529.72  212.163   73.567   1.5336   75.407   1.4494 -1.840080 2.110185 
1 1 1    0   22   24 o   53.943   0.8586  2822.39   88.363  2794.20  114.543  2863.83  138.869   53.619   1.1005   54.267   1.3183 -0.6480980 1.717239 
1 1 1    0   22   25 o   36.025   1.0036  1259.35   69.689  1235.11   92.771  1290.73  105.577   35.633   1.3412   36.417   1.4935 -0.7838249 2.007291 
1 1 1    0   22   26 o   13.926   2.2544  204.987   63.742  296.346   86.294   95.284   94.561   17.380   2.5578   10.473   3.7130 6.906663 4.508783 
1 1 1    0   22   27 o   17.525   2.1407  308.152   68.847  188.027   92.440  457.782  103.170   13.482   3.5011   21.568   2.4642 -8.086376 4.281318 
1 1 1    0   22   28 f   66.924   0.9520  4411.58  119.954  4545.64  153.419  4200.73  192.406   68.293   1.1573   65.555   1.5120 2.738014 1.904036 
1 1 1    0   22   29 o   23.195   1.5871  533.367   70.793  532.575   93.941  534.408  107.693   23.208   2.0852   23.181   2.3933 0.2762222E-01 3.174261 
1 1 1    0   22   30 o   21.639   1.6186  469.531   67.702  475.848   92.037  462.082   99.939   21.831   2.1718   21.447   2.4006 0.3843536 3.237218 
1 1 1    0   22   31 o   14.784   2.5511  241.562   72.758  264.562  100.634  216.372  105.317   15.601   3.4174   13.967   3.7885 1.634318 5.102108 
1 1 1    0   22   32 o   30.885   1.3262  941.787   78.897  840.484  104.089  1078.58  120.954   28.974   1.8507   32.795   1.9000 -3.821344 2.652318 
1 1 1    0   22   33 o   26.126   1.8965  720.829   95.262  704.490  143.650  733.655  127.274   25.705   2.8789   26.548   2.4697 -0.8429470 3.793087 
1 1 1    0   23    1 o  215.065   1.3759 44903.46  567.471 44895.52  746.734 44914.32  873.035  215.047   1.7888  215.083   2.0910 -0.3594971E-01 2.751778 
1 1 1    0   23    2 o   39.652   0.4943  1502.17   35.921  1455.99   43.737  1597.87   62.963   38.731   0.5817   40.574   0.7994 -1.842690 0.9886795 
1 1 1    0   23    3 o  184.622   1.4100 33073.16  505.139 32436.84  702.942 33752.63  726.382  182.787   1.9811  186.457   2.0069 -3.669861 2.819991 
1 1 1    0   23    4 o  109.578   1.0426 11654.95  221.752 11872.57  315.010 11441.17  312.219  110.592   1.4673  108.564   1.4815 2.028008 2.085188 
1 1 1    0   23    5 o  245.238   1.5595 58382.61  742.208 58018.98  1037.02 58764.49  1062.74  244.456   2.1853  246.020   2.2253 -1.564148 3.118926 
1 1 1    0   23    6 o  139.772   1.2285 18959.56  333.184 18766.89  463.783 19165.05  478.970  139.038   1.7184  140.505   1.7561 -1.466553 2.456971 
1 1 1    0   23    7 o  211.929   1.4897 43607.71  612.785 43611.96  859.596 43603.34  873.795  211.940   2.0894  211.918   2.1241 0.2212524E-01 2.979482 
1 1 1    0   23    8 o   76.289   0.8931  5644.89  131.916  5713.77  194.163  5585.83  179.782   76.721   1.3037   75.858   1.2209 0.8631744 1.786139 
1 1 1    0   23    9 o  189.801   1.4459 34979.32  532.679 35414.79  752.429 34541.78  754.217  190.986   2.0295  188.616   2.0599 2.369629 2.891773 
1 1 1    0   23   10 o  183.952   1.2152 32830.47  429.909 32692.43  569.903 33012.75  654.884  183.507   1.5999  184.397   1.8296 -0.8898315 2.430400 
1 1 1    0   23   11 o  126.918   1.0337 15661.27  250.403 15769.42  326.233 15506.19  390.657  127.454   1.3186  126.381   1.5924 1.073090 2.067453 
1 1 1    0   23   12 o   83.737   0.8342  6796.82  131.272  6767.18  165.834  6846.55  214.827   83.494   1.0232   83.979   1.3178 -0.4844360 1.668394 
1 1 1    0   23   13 o  214.642   1.3237 44678.58  547.708 44219.98  731.018 45265.49  826.981  213.395   1.7647  215.889   1.9733 -2.494522 2.647320 
1 1 1    0   23   14 o  309.884   1.4839 93293.40  890.182 93267.79  1214.68 93323.09  1308.35  309.849   2.0195  309.919   2.1748 -0.6930542E-01 2.967822 
1 1 1    0   23   15 o  118.325   1.0329 13619.76  232.280 13714.43  299.944 13477.93  367.135  118.846   1.3001  117.805   1.6055 1.041473 2.065877 
1 1 1    0   23   16 o   33.226   0.8265  1072.22   52.998  1074.56   71.253  1069.32   79.290   33.268   1.1034   33.185   1.2309 0.8255005E-01 1.653004 
1 1 1    0   23   17 o   96.180   0.9386  9000.21  169.877  9048.05  215.572  8921.81  275.936   96.526   1.1505   95.834   1.4833 0.6924591 1.877169 
1 1 1    0   23   18 o  120.583   1.1901 14123.02  263.798 14106.74  324.469 14154.75  453.072  120.505   1.3871  120.660   1.9344 -0.1551208 2.380280 
1 1 1    0   23   19 o   40.294   0.7951  1571.96   61.126  1550.78   79.173  1603.21   96.178   39.962   1.0206   40.627   1.2195 -0.6654434 1.590268 
1 1 1    0   23   20 o   28.033   1.0357  766.918   55.291  780.697   71.904  746.984   86.486   28.346   1.3068   27.720   1.6073 0.6261959 2.071446 
1 1 1    0   23   21 o   53.877   0.8008  2821.09   81.877  2825.83  105.304  2813.85  130.201   53.940   1.0057   53.815   1.2464 0.1242371 1.601515 
1 1 1    0   23   22 o   52.062   0.8404  2636.68   83.010  2648.21  106.779  2619.06  131.971   52.212   1.0535   51.912   1.3096 0.3002739 1.680789 
1 1 1    0   23   23 o   63.476   0.9908  3917.65  121.840  3919.65  178.024  3915.89  167.110   63.487   1.4445   63.464   1.3565 0.2317047E-01 1.981591 
1 1 1    0   23   24 o   86.476   0.9989  7326.97  162.521  7496.60  207.172  7055.56  262.060   87.812   1.2154   85.140   1.5856 2.671898 1.997846 
1 1 1    0   23   25 o   38.510   0.9915  1432.70   73.576  1363.47   97.376  1524.79  112.322   37.437   1.3399   39.582   1.4619 -2.144138 1.983037 
1 1 1    0   23   26 o   39.555   0.9908  1527.24   75.651  1556.85  102.307  1491.51  112.373   39.987   1.3180   39.123   1.4797 0.8641853 1.981568 
1 1 1    0   23   27 o   9.5158   2.5246   63.661   65.931  106.907   88.702   10.273   98.557   10.658   3.6053   8.3737   3.5350 2.284174 5.049255 
1 1 1    0   23   28 f   35.378   1.1200  1224.85   75.410  1225.60   97.525  1223.72  118.920   35.420   1.4184   35.336   1.7337 0.8380127E-01 2.240015 
1 1 1    0   23   29 o   21.551   1.7485  481.652   69.744  615.789   96.027  331.897  101.464   24.959   1.9820   18.142   2.8811 6.817158 3.496963 
1 1 1    0   23   30 o   19.024   1.9556  374.366   66.157  222.468   89.441  557.867   98.306   14.409   3.2722   23.638   2.1424 -9.228990 3.911166 
1 1 1    0   23   31 o   33.303   1.2255  1096.04   78.693  1057.47  104.648  1146.22  119.381   32.667   1.6503   33.939   1.8121 -1.271549 2.450906 
1 1 1    0   23   32 o   25.954   1.5668  681.058   78.567  650.927  105.251  718.977  118.073   25.349   2.1390   26.560   2.2901 -1.210831 3.133666 
1 1 1    0   23   33 o   25.793   1.9097  700.722   95.025  724.984  143.361  681.709  126.910   26.086   2.8311   25.501   2.5638 0.5855446 3.819442 
1 1 1    0   24    0 o  227.186   2.2463 49972.22  938.245 49680.38  1152.89 50544.58  1614.55  226.218   2.6254  228.154   3.6455 -1.935730 4.492503 
1 1 1    0   24    1 o   91.473   0.8372  8113.45  143.162  8090.63  179.569  8153.27  237.164   91.298   1.0132   91.648   1.3331 -0.3505630 1.674443 
1 1 1    0   24    2 o   97.188   0.8631  9124.92  156.608  9011.88  195.655  9326.47  261.263   96.355   1.0460   98.020   1.3731 -1.664970 1.726146 
1 1 1    0   24    3 o  155.989   1.2797 23625.88  387.418 24037.95  546.425 23209.36  549.371  157.357   1.7889  154.621   1.8303 2.736588 2.559338 
1 1 1    0   24    4 o  188.339   1.4134 34433.46  516.666 34246.14  723.304 34628.63  738.278  187.816   1.9839  188.861   2.0138 -1.045212 2.826876 
1 1 1    0   24    5 o  399.490   1.9953 154991.30  1547.16 155522.41  2174.13 154446.41  2202.16  400.185   2.7987  398.795   2.8447 1.390320 3.990623 
1 1 1    0   24    6 f  154.472   1.3098 23154.15  392.642 22706.25  547.076 23629.95  563.865  152.932   1.8428  156.012   1.8619 -3.079239 2.619658 
1 1 1    0   24    7 o  168.175   1.3876 27458.15  452.988 27320.76  637.399 27598.35  643.895  167.750   1.9574  168.600   1.9674 -0.8498077 2.775270 
1 1 1    0   24    8 o  180.105   1.4289 31484.94  499.411 31137.14  696.618 31852.71  716.342  179.082   2.0039  181.127   2.0374 -2.045090 2.857721 
1 1 1    0   24    9 o  316.101   1.7329 97031.95  1063.16 96883.55  1489.15 97186.23  1518.34  315.856   2.4288  316.346   2.4725 -0.4898376 3.465878 
1 1 1    0   24   10 o  455.078   1.6903 201147.09  1492.91 203915.91  2101.49 198326.00  2121.24  458.243   2.3625  451.913   2.4181 6.330048 3.380591 
1 1 1    0   24   11 o   76.538   0.7914  5666.89  113.731  5610.08  143.293  5763.60  186.962   76.023   0.9710   77.053   1.2500 -1.030289 1.582800 
1 1 1    0   24   12 f  152.896   1.1523 22659.49  336.616 22482.48  438.023 22914.84  526.077  152.173   1.4828  153.620   1.7642 -1.446457 2.304576 
1 1 1    0   24   13 o   49.876   0.7799  2414.61   75.474  2311.06  105.944  2521.33  107.545   48.791   1.1186   50.962   1.0871 -2.171623 1.559839 
1 1 1    0   24   14 o  106.271   0.9995 10978.91  200.389 11019.37  255.206 10913.84  323.607  106.533   1.2341  106.009   1.5726 0.5233383 1.998981 
1 1 1    0   24   15 f   75.147   0.8363  5463.11  117.787  5407.85  148.020  5558.50  194.486   74.635   1.0217   75.660   1.3242 -1.025955 1.672528 
1 1 1    0   24   16 o  114.711   1.0457 12743.46  228.795 12584.52  296.224 12978.49  360.208  113.834   1.3406  115.587   1.6054 -1.753181 2.091493 
1 1 1    0   24   17 o   92.448   0.9145  8273.78  159.094  8191.38  201.135  8411.49  260.023   91.843   1.1282   93.053   1.4395 -1.210091 1.828939 
1 1 1    0   24   18 o  111.497   1.0334 12046.53  217.474 11943.49  276.316 12214.26  352.532  110.886   1.2837  112.109   1.6199 -1.223427 2.066893 
1 1 1    0   24   19 o   23.420   1.1630  531.595   52.550  519.646   70.187  546.838   79.274   23.123   1.5637   23.717   1.7219 -0.5938663 2.325957 
1 1 1    0   24   20 o   68.771   0.8402  4542.23  108.147  4405.13  135.023  4787.58  180.630   67.347   1.0328   70.195   1.3256 -2.847580 1.680477 
1 1 1    0   24   21 o   33.028   0.9390  1049.12   59.733  977.873   78.763  1145.57   91.643   31.723   1.2790   34.332   1.3751 -2.609413 1.877976 
1 1 1    0   24   22 o  141.270   1.2962 19490.07  346.916 19735.79  446.095 19114.06  551.825  142.445   1.6133  140.096   2.0291 2.348679 2.592324 
1 1 1    0   24   23 o   91.691   1.0424  8206.55  179.085  8293.70  226.151  8060.00  293.257   92.371   1.2612   91.011   1.6599 1.360054 2.084732 
1 1 1    0   24   24 o   32.730   1.1334  1037.28   71.793  975.051   97.005  1112.65  106.754   31.651   1.5788   33.808   1.6267 -2.156731 2.266885 
1 1 1    0   24   25 o   29.291   1.1780  841.098   66.423  885.380   89.858  787.753   98.626   30.155   1.5351   28.428   1.7873 1.727133 2.356022 
1 1 1    0   24   26 o   19.547   1.9052  400.932   66.383  506.019   89.709  273.742   98.693   22.740   2.0323   16.355   3.2233 6.384850 3.810474 
1 1 1    0   24   27 o   12.552   2.5441  153.976   67.277   95.796   89.984  227.724  101.309   10.317   3.6257   14.787   3.5699 -4.469600 5.088225 
1 1 1    0   24   28 o   27.043   1.3837  714.280   72.211  677.159   96.116  762.385  109.416   26.254   1.8860   27.831   2.0253 -1.577497 2.767419 
1 1 1    0   24   29 o   34.928   1.0966  1194.65   73.856  1167.17   98.427  1230.05  111.729   34.491   1.4701   35.365   1.6275 -0.8740005 2.193155 
1 1 1    0   24   30 o   32.148   1.1578  1024.22   71.731  1061.27   96.912  979.327  106.675   32.831   1.5207   31.466   1.7464 1.364399 2.315690 
1 1 1    0   24   31 o   18.126   2.1313  342.245   72.402  273.915   97.375  426.729  108.275   15.892   3.2657   20.360   2.7396 -4.468127 4.262694 
1 1 1    0   24   32 o   19.052   2.1948  388.314   79.327  354.710  108.674  426.643  116.061   18.007   3.2275   20.096   2.9751 -2.089546 4.389565 
1 1 1    0   25    1 o  145.088   1.1201 20338.83  307.792 20007.38  392.710 20866.69  495.593  143.565   1.4091  146.611   1.7414 -3.045685 2.240111 
1 1 1    0   25    2 o  170.484   1.2696 28210.68  412.254 28189.65  533.671 28241.81  649.190  170.408   1.6133  170.559   1.9608 -0.1506805 2.539192 
1 1 1    0   25    3 o   51.172   0.6659  2542.04   66.132  2563.03   92.923  2520.51   94.139   51.386   0.9316   50.958   0.9517 0.4280396 1.331734 
1 1 1    0   25    4 o   65.453   0.7599  4158.50   96.543  4206.56  136.732  4110.72  136.333   65.831   1.0700   65.076   1.0792 0.7542496 1.519740 
1 1 1    0   25    5 o  171.558   1.3867 28578.14  461.752 28817.64  649.275 28333.04  656.824  172.286   1.9414  170.830   1.9807 1.455704 2.773483 
1 1 1    0   25    6 o   45.129   0.6738  1973.35   58.890  2026.15   86.741  1928.21   80.208   45.688   0.9780   44.570   0.9271 1.117805 1.347598 
1 1 1    0   25    7 f  158.713   1.3930 24455.88  429.123 24869.37  608.569 24046.98  605.187  160.047   1.9588  157.378   1.9810 2.669052 2.785908 
1 1 1    0   25    8 o  276.241   1.6659 74099.72  893.228 73993.57  1255.07 74208.66  1271.52  276.042   2.3422  276.441   2.3695 -0.3993530 3.331744 
1 1 1    0   25    9 o   34.785   3.2528  1156.19  216.701  1462.79  329.235  921.851  287.841   38.786   4.3728   30.785   4.8167 8.001663 6.505594 
1 1 1    0   25   10 o  295.986   1.5702 85197.63  876.153 85597.73  1114.76 84551.07  1417.08  296.914   1.9341  295.057   2.4741 1.856750 3.140413 
1 1 1    0   25   11 o  134.810   1.1007 17709.42  283.437 18021.82  371.048 17271.73  439.196  136.247   1.4029  133.373   1.6964 2.873474 2.201357 
1 1 1    0   25   12 o  153.205   1.1663 22711.58  341.101 22363.58  442.169 23223.06  536.053  151.766   1.5009  154.644   1.7857 -2.877319 2.332686 
1 1 1    0   25   13 o  242.465   1.3828 57130.02  647.573 57328.13  873.935 56888.80  964.336  242.942   1.8532  241.989   2.0529 0.9533691 2.765608 
1 1 1    0   25   14 o   95.695   0.9210  8925.68  166.294  9039.32  212.314  8745.32  267.477   96.490   1.1335   94.899   1.4520 1.591454 1.842039 
1 1 1    0   25   15 o  193.016   1.3122 36230.27  486.514 36454.51  644.193 35932.58  742.249  193.725   1.7130  192.307   1.9883 1.418182 2.624487 
1 1 1    0   25   16 o   48.422   0.7336  2280.14   67.698  2295.36   87.907  2257.96  106.124   48.622   0.9314   48.221   1.1337 0.4014626 1.467246 
1 1 1    0   25   17 o   80.378   0.8678  6247.41  130.928  6169.75  164.786  6380.39  215.616   79.709   1.0650   81.046   1.3705 -1.336220 1.735670 
1 1 1    0   25   18 o   63.596   0.7928  3922.59   95.235  3904.88  121.272  3951.08  153.825   63.414   0.9852   63.779   1.2425 -0.3650703 1.585652 
1 1 1    0   25   19 o   54.537   0.7879  2906.67   81.282  2971.29  104.501  2807.68  129.327   55.314   0.9732   53.760   1.2393 1.553913 1.575754 
1 1 1    0   25   20 o   59.800   0.8088  3508.28   91.860  3656.54  119.673  3295.64  143.320   61.359   1.0047   58.241   1.2677 3.117882 1.617571 
1 1 1    0   25   21 o   41.589   0.8415  1684.05   67.247  1706.23   89.306  1655.02  102.195   41.909   1.0978   41.269   1.2757 0.6400681 1.682973 
1 1 1    0   25   22 o   78.557   0.9409  5914.13  137.235  5718.40  169.472  6286.96  233.897   76.713   1.1381   80.402   1.4986 -3.689011 1.881773 
1 1 1    0   25   23 o   42.043   0.9330  1708.20   74.848  1663.81   96.703  1774.53  118.207   41.372   1.2041   42.714   1.4256 -1.341728 1.866090 
1 1 1    0   25   24 o   36.926   1.0120  1343.84   71.508  1466.30   96.365  1193.79  106.675   38.831   1.2784   35.021   1.5692 3.810520 2.024012 
1 1 1    0   25   25 o   50.172   0.9041  2461.70   86.704  2526.06  113.952  2373.21  133.617   50.966   1.1518   49.378   1.3940 1.588280 1.808284 
1 1 1    0   25   26 o   43.347   0.9781  1855.20   80.446  1961.08  105.108  1705.47  124.993   44.881   1.2064   41.814   1.5399 3.067364 1.956252 
1 1 1    0   25   27 o   46.801   0.9662  2149.95   86.147  2207.98  112.445  2067.50  134.040   47.596   1.2170   46.007   1.5009 1.589001 1.932312 
1 1 1    0   25   28 o   31.235   1.1955  966.884   71.264  1020.80   94.248  894.905  108.897   32.296   1.5033   30.174   1.8592 2.122873 2.390931 
1 1 1    0   25   29 o   40.788   1.0006  1634.96   78.373  1652.37  103.849  1611.92  119.454   41.074   1.3025   40.503   1.5193 0.5716248 2.001203 
1 1 1    0   25   30 o   33.997   1.1772  1143.94   77.279  1163.34  104.613  1120.63  114.652   34.349   1.5690   33.646   1.7554 0.7025604 2.354393 
1 1 1    0   25   31 o   32.318   1.2558  1023.74   78.019  922.484  102.029  1166.30  121.070   30.448   1.7262   34.187   1.8243 -3.739120 2.511598 
1 1 1    0   25   32 o   11.030   2.5651  102.482   74.977 -18.7855  102.129  244.248  110.424   7.5601   3.3837   14.501   3.8561 -6.940583 5.130230 
1 1 1    0   26    0 o  449.770   2.9000 196195.09  2529.22 201838.59  3681.64 191151.20  3480.54  455.883   4.1603  443.657   4.0414 12.22617 5.800095 
1 1 1    0   26    1 o  308.359   1.6181 92335.48  963.110 92442.38  1295.70 92203.50  1439.74  308.565   2.1632  308.154   2.4069 0.4110413 3.236105 
1 1 1    0   26    2 o  131.410   1.0924 16758.43  271.344 16740.99  346.263 16786.16  436.791  131.324   1.3583  131.496   1.7112 -0.1718750 2.184752 
1 1 1    0   26    3 o  181.508   1.4052 31960.72  494.803 31329.75  685.161 32648.49  715.329  179.638   1.9648  183.378   2.0095 -3.740479 2.810482 
1 1 1    0   26    4 o  256.357   1.6013 63798.79  796.649 63295.66  1112.33 64328.64  1141.49  255.320   2.2443  257.393   2.2846 -2.073151 3.202565 
1 1 1    0   26    5 o   90.398   0.9946  7931.00  174.507  8095.27  248.727  7771.74  244.897   91.320   1.4031   89.476   1.4100 1.843475 1.989159 
1 1 1    0   26    6 o  253.969   1.6256 62643.71  801.215 63391.68  1124.33 61871.97  1142.06  255.511   2.2668  252.427   2.3307 3.084259 3.251261 
1 1 1    0   26    7 o  460.855   2.1125 206290.50  1889.77 208538.09  2681.39 204072.20  2663.79  463.350   2.9812  458.360   2.9938 4.989716 4.224968 
1 1 1    0   26    8 o  151.821   1.4621 22428.33  425.957 22704.91  563.318 22059.05  650.922  152.921   1.8977  150.721   2.2248 2.200455 2.924193 
1 1 1    0   26    9 f  145.218   1.3343 20453.00  375.832 19959.18  519.024 20997.35  544.934  143.378   1.8648  147.058   1.9089 -3.680481 2.668633 
1 1 1    0   26   10 f  160.643   1.4095 25062.61  439.267 25151.60  611.489 24967.71  631.425  160.939   1.9573  160.347   2.0286 0.5922546 2.818921 
1 1 1    0   26   11 o  196.097   1.3729 37339.60  522.533 36433.01  735.276 38264.66  742.726  193.692   1.9556  198.503   1.9275 -4.810715 2.745825 
1 1 1    0   26   12 o   56.533   0.6985  3096.70   74.244  3079.13   93.838  3126.09  121.401   56.320   0.8583   56.746   1.1021 -0.4252663 1.396908 
1 1 1    0   26   13 o   67.226   0.7737  4370.92   97.684  4322.32  123.099  4453.56  160.531   66.726   0.9504   67.727   1.2211 -1.000656 1.547311 
1 1 1    0   26   14 o   25.503   0.9495  635.920   46.609  674.231   63.197  590.228   69.016   26.352   1.2354   24.654   1.4421 1.697819 1.898957 
1 1 1    0   26   15 o   47.644   0.7337  2188.52   66.786  2120.72   86.466  2288.79  105.151   46.737   0.9531   48.551   1.1157 -1.814114 1.467347 
1 1 1    0   26   16 o   17.874   1.3430  309.455   46.468  296.857   62.942  324.547   68.892   17.476   1.8553   18.272   1.9423 -0.7956619 2.686041 
1 1 1    0   26   17 o   65.458   0.7926  4138.31   97.285  4074.74  122.181  4248.42  160.808   64.779   0.9716   66.136   1.2526 -1.356628 1.585245 
1 1 1    0   26   18 o   58.084   0.7724  3294.53   85.373  3372.49  111.043  3181.84  133.507   58.932   0.9707   57.235   1.2016 1.697182 1.544718 
1 1 1    0   26   19 o   53.317   0.7770  2760.13   78.548  2756.34  100.780  2765.99  125.372   53.275   0.9745   53.360   1.2104 -0.8483505E-01 1.553925 
1 1 1    0   26   20 o   78.669   0.9085  5966.39  133.667  5842.35  167.061  6187.07  222.830   77.553   1.1097   79.786   1.4387 -2.232864 1.816986 
1 1 1    0   26   21 o  101.715   1.0539 10062.95  202.329 10077.13  257.727 10040.15  326.639  101.828   1.3038  101.601   1.6562 0.2273865 2.107816 
1 1 1    0   26   22 o  101.481   1.1037 10060.39  210.853 10195.23  268.321  9842.68  340.938  102.402   1.3498  100.559   1.7466 1.843834 2.207401 
1 1 1    0   26   23 f   94.647   1.0236  8708.61  182.719  8687.86  232.262  8742.31  295.978   94.525   1.2658   94.769   1.6089 -0.2434235 2.047144 
1 1 1    0   26   24 o   48.045   0.8971  2238.15   82.304  2208.07  106.835  2282.05  129.090   47.658   1.1548   48.433   1.3730 -0.7754173 1.794117 
1 1 1    0   26   25 o   29.044   1.2752  824.070   71.605  834.708   97.358  811.534  105.682   29.256   1.7143   28.832   1.8883 0.4236584 2.550388 
1 1 1    0   26   26 o   10.313   2.6064   90.816   65.688   78.672   87.626  106.395   99.251   9.7577   3.5595   10.868   3.8084 -1.110205 5.212896 
1 1 1    0   26   27 o   45.001   1.1948  1993.74  102.620  1917.94  158.722  2048.19  134.517   44.224   1.8489   45.779   1.5137 -1.554680 2.389534 
1 1 1    0   26   28 f   13.083   2.4728  170.561   66.547  100.161   88.193  263.643  101.410   10.327   3.5916   15.839   3.3999 -5.512863 4.945581 
1 1 1    0   26   29 o   59.824   0.9348  3467.23  106.380  3310.84  136.102  3712.80  170.549   58.161   1.2055   61.486   1.4289 -3.325596 1.869500 
1 1 1    0   26   30 o   24.541   1.5470  606.646   73.047  628.437   98.206  579.660  109.289   25.096   2.0159   23.987   2.3472 1.109680 3.094012 
1 1 1    0   26   31 o   21.756   1.7841  481.139   74.945  447.008   99.887  525.102  113.365   20.909   2.4610   22.603   2.5837 -1.694405 3.568218 
1 1 1    0   26   32 o   9.6156   2.8352   61.204   86.885   48.332  138.785   69.501  111.421   9.7131   4.1511   9.5181   3.8629 0.1950064 5.670420 
1 1 1    0   27    1 o  173.560   1.2802 29141.31  421.898 28757.47  541.233 29735.75  673.542  172.113   1.6200  175.007   1.9826 -2.894211 2.560299 
1 1 1    0   27    2 o  288.079   1.5906 80462.77  881.745 79704.69  1169.69 81460.55  1341.93  286.517   2.1031  289.641   2.3867 -3.124420 3.181108 
1 1 1    0   27    3 o   66.296   0.7068  4233.10   86.360  4162.77  106.119  4371.04  148.605   65.488   0.8348   67.105   1.1408 -1.616615 1.413615 
1 1 1    0   27    4 o  146.673   1.2897 20879.53  367.074 20664.06  511.292 21108.73  527.320  145.893   1.8054  147.454   1.8423 -1.560608 2.579415 
1 1 1    0   27    5 o  226.737   1.5640 49913.92  688.286 49705.98  965.631 50128.66  981.327  226.257   2.1986  227.216   2.2249 -0.9588928 3.127929 
1 1 1    0   27    6 o  317.297   1.7413 97775.09  1072.40 98508.98  1510.40 97029.03  1522.88  318.499   2.4430  316.095   2.4819 2.404205 3.482505 
1 1 1    0   27    7 o  147.128   1.3381 21019.15  382.123 21376.37  540.097 20661.11  540.712  148.380   1.8751  145.876   1.9095 2.504456 2.676239 
1 1 1    0   27    8 o  420.399   2.0887 171689.59  1704.36 172704.09  2396.89 170652.00  2424.00  421.658   2.9283  419.140   2.9793 2.518494 4.177463 
1 1 1    0   27    9 o   84.976   0.9827  7010.06  162.094  6997.03  228.847  7023.18  229.625   84.897   1.3886   85.055   1.3908 -0.1584320 1.965336 
1 1 1    0   27   10 o  119.853   1.2230 13946.59  284.519 13757.25  400.346 14139.80  404.426  119.031   1.7326  120.675   1.7265 -1.643768 2.445963 
1 1 1    0   27   11 o  234.120   1.5540 53087.04  696.835 52309.89  910.719 54184.59  1082.29  232.074   2.0216  236.166   2.3608 -4.092636 3.108085 
1 1 1    0   27   12 o  110.725   0.9778 11921.12  205.399 11983.50  264.209 11825.83  326.551  111.097   1.2251  110.354   1.5244 0.7433548 1.955694 
1 1 1    0   27   13 o  186.762   1.2905 33944.77  462.808 34329.65  613.114 33435.00  705.608  188.006   1.6800  185.517   1.9594 2.488403 2.580975 
1 1 1    0   27   14 o   56.276   0.7297  3083.22   77.761  3114.12   99.824  3035.55  124.009   56.637   0.9080   55.915   1.1425 0.7225685 1.459362 
1 1 1    0   27   15 o  159.651   1.2151 24767.03  371.238 24775.97  485.862 24754.47  575.455  159.700   1.5673  159.602   1.8574 0.9790039E-01 2.430283 
1 1 1    0   27   16 o   16.603   1.5299  266.518   48.235  196.961   65.288  350.112   71.573   14.228   2.3638   18.977   1.9429 -4.749018 3.059800 
1 1 1    0   27   17 o   93.130   0.9442  8436.08  165.776  8470.25  210.892  8380.83  268.187   93.387   1.1633   92.873   1.4876 0.5137405 1.888461 
1 1 1    0   27   18 o   94.855   1.0004  8748.22  175.668  8760.84  217.908  8724.77  296.887   94.969   1.1820   94.741   1.6143 0.2281570 2.000793 
1 1 1    0   27   19 o   49.137   0.7928  2349.40   73.765  2364.12   94.593  2326.54  117.834   49.338   0.9877   48.936   1.2404 0.4023552 1.585608 
1 1 1    0   27   20 o   59.617   0.9548  3453.29  110.374  3471.02  160.016  3437.20  152.444   59.762   1.3793   59.473   1.3205 0.2885818 1.909505 
1 1 1    0   27   21 o   46.482   0.8427  2108.18   75.419  2176.04  101.401  2024.16  112.829   47.326   1.1038   45.637   1.2736 1.688938 1.685341 
1 1 1    0   27   22 o   34.382   1.0023  1143.61   66.695  1074.80   90.195  1226.64   99.072   33.247   1.3975   35.516   1.4370 -2.268963 2.004510 
1 1 1    0   27   23 o   30.941   1.0933  923.922   65.193  871.364   86.241  994.004   99.585   29.926   1.4846   31.956   1.6054 -2.030005 2.186596 
1 1 1    0   27   24 o   82.556   0.9814  6626.42  152.673  6609.98  193.795  6653.31  247.878   82.446   1.2109   82.667   1.5447 -0.2206192 1.962742 
1 1 1    0   27   25 o   50.620   0.9119  2501.41   88.110  2533.11  114.996  2456.34  137.114   51.024   1.1610   50.216   1.4066 0.8080482 1.823883 
1 1 1    0   27   26 o   36.991   1.1127  1331.74   79.751  1265.03  108.845  1409.08  117.186   35.997   1.5577   37.986   1.5892 -1.989716 2.225316 
1 1 1    0   27   27 o   38.288   1.0309  1430.82   75.784  1421.17   99.919  1443.88  116.282   38.154   1.3491   38.421   1.5591 -0.2662735 2.061779 
1 1 1    0   27   28 o   60.829   0.9236  3582.00  105.967  3468.25  133.822  3773.25  173.510   59.598   1.1567   62.061   1.4403 -2.462929 1.847268 
1 1 1    0   27   29 o   29.308   1.2577  857.474   70.854  927.524   96.512  775.580  104.353   30.666   1.6213   27.951   1.9233 2.714684 2.515472 
1 1 1    0   27   30 o   26.013   1.4727  679.859   73.915  699.795  100.172  656.030  109.514   26.483   1.9485   25.543   2.2087 0.9403343 2.945322 
1 1 1    0   27   31 o   31.027   1.3873  968.950   83.204  985.300  113.230  949.758  122.673   31.366   1.8597   30.688   2.0592 0.6778126 2.774681 
1 1 1    0   27   32 o   16.014   2.7182  316.878   88.555  191.890  137.907  404.577  115.518   12.663   4.4846   19.365   3.0730 -6.701818 5.436423 
1 1 1    0   28    0 o  199.993   2.2609 38778.97  798.852 38698.04  949.490 38975.08  1478.01  199.653   2.4499  200.333   3.8007 -0.6799469 4.521842 
1 1 1    0   28    1 o  199.452   1.3584 38606.88  517.778 38535.08  675.097 38709.45  806.906  199.232   1.7456  199.672   2.0818 -0.4400635 2.716805 
1 1 1    0   28    2 o  128.303   1.0772 15979.73  260.089 15977.13  329.602 15984.02  423.417  128.293   1.3235  128.314   1.6999 -0.2183533E-01 2.154380 
1 1 1    0   28    3 o  114.606   1.0231 12678.26  219.737 12479.65  275.722 13023.97  363.779  113.385   1.2527  115.827   1.6179 -2.441490 2.046221 
1 1 1    0   28    4 o  234.701   1.5731 53482.95  716.521 53346.60  1001.05 53626.21  1026.04  234.395   2.2001  235.007   2.2491 -0.6113586 3.146283 
1 1 1    0   28    5 o  270.133   1.6574 70865.67  868.984 71201.04  1220.51 70520.89  1237.52  270.782   2.3220  269.483   2.3657 1.298889 3.314816 
1 1 1    0   28    6 o  391.754   1.8813 149030.80  1430.19 148013.91  1994.17 150107.70  2052.27  390.381   2.6315  393.127   2.6893 -2.745605 3.762597 
1 1 1    0   28    7 o  208.742   1.5428 42302.55  625.064 41887.60  874.823 42735.35  893.419  207.697   2.1698  209.787   2.1939 -2.090225 3.085646 
1 1 1    0   28    8 o  154.587   1.4208 23204.00  426.341 23304.87  605.748 23104.98  600.167  154.920   2.0143  154.255   2.0043 0.6654358 2.841593 
1 1 1    0   28    9 o  285.206   1.7282 79023.52  956.629 80315.00  1349.71 77719.85  1356.07  287.550   2.4180  282.862   2.4697 4.688507 3.456334 
1 1 1    0   28   10 o  273.086   1.7227 72458.18  913.074 73180.59  1284.42 71720.13  1298.26  274.465   2.4108  271.707   2.4615 2.757721 3.445377 
1 1 1    0   28   11 o   94.620   0.8990  8709.00  161.161  8769.46  206.913  8615.75  256.968   95.042   1.1215   94.198   1.4053 0.8434525 1.797972 
1 1 1    0   28   12 o  164.588   1.2225 26323.24  384.984 26381.97  503.903 26240.88  596.679  164.819   1.5750  164.358   1.8702 0.4612274 2.445027 
1 1 1    0   28   13 o   52.808   0.7193  2707.88   71.578  2709.48   90.904  2705.27  116.115   52.831   0.8864   52.786   1.1332 0.4421616E-01 1.438694 
1 1 1    0   28   14 o   87.145   0.8878  7388.33  145.059  7428.42  183.093  7320.74  237.737   87.469   1.0783   86.822   1.4106 0.6472549 1.775555 
1 1 1    0   28   15 f   56.038   0.7349  3043.79   78.177  3023.63  100.384  3074.86  124.624   55.805   0.9267   56.271   1.1409 -0.4657249 1.469841 
1 1 1    0   28   16 o   97.169   0.9592  9195.29  174.917  9265.13  221.210  9078.76  285.735   97.673   1.1667   96.665   1.5227 1.008087 1.918327 
1 1 1    0   28   17 o   56.226   0.7820  3082.09   83.445  3128.34  107.685  3012.59  132.015   56.759   0.9774   55.692   1.2211 1.067307 1.564096 
1 1 1    0   28   18 o  138.353   1.3041 18624.06  343.758 18654.88  445.617 18578.77  540.223  138.522   1.6572  138.184   2.0140 0.3376160 2.608140 
1 1 1    0   28   19 o   38.695   0.8458  1465.17   62.353  1513.86   81.528  1396.56   96.782   39.479   1.0638   37.911   1.3151 1.567677 1.691517 
1 1 1    0   28   20 o   56.424   0.8028  3075.89   85.982  3014.04  110.057  3172.78  137.745   55.705   1.0178   57.142   1.2418 -1.437580 1.605607 
1 1 1    0   28   21 o   71.281   0.8921  4913.73  119.359  4843.03  150.173  5035.01  196.686   70.601   1.0958   71.962   1.4080 -1.360870 1.784146 
1 1 1    0   28   22 o   47.332   0.8791  2156.68   79.552  2063.09  102.931  2295.51  125.362   46.074   1.1509   48.590   1.3291 -2.515415 1.758117 
1 1 1    0   28   23 o   50.421   0.8844  2466.61   85.892  2430.82  114.177  2513.27  130.366   50.006   1.1762   50.836   1.3211 -0.8305893 1.768828 
1 1 1    0   28   24 o   16.863   1.9944  286.522   62.909  308.946   84.766  259.028   93.860   17.767   2.4578   15.959   3.1416 1.807867 3.988845 
1 1 1    0   28   25 o   48.004   0.9306  2247.63   85.582  2264.38  112.531  2224.64  131.804   48.231   1.2019   47.778   1.4211 0.4528275 1.861265 
1 1 1    0   28   26 o   34.835   1.1162  1190.89   74.830  1231.71  100.526  1140.15  112.064   35.524   1.4578   34.146   1.6907 1.378670 2.232394 
1 1 1    0   28   27 o   24.832   1.6374  612.516   78.075  586.270  117.935  632.993  104.171   24.320   2.4981   25.345   2.1174 -1.024914 3.274727 
1 1 1    0   28   28 o   18.371   1.8650  338.032   66.389  326.392   90.695  351.469   97.445   18.042   2.5896   18.700   2.6845 -0.6579285 3.729961 
1 1 1    0   28   29 o   23.963   1.5182  568.109   70.181  488.712   94.766  664.543  104.440   22.106   2.2084   25.819   2.0838 -3.713530 3.036334 
1 1 1    0   28   30 o   11.442   2.6676  135.966   71.689   79.876  102.096  190.518  100.687   9.7895   3.7831   13.094   3.7620 -3.304955 5.335251 
1 1 1    0   28   31 o   9.8242   2.7251   77.748   76.434   46.558  104.412  113.762  112.196   8.9379   3.6956   10.711   4.0060 -1.772698 5.450285 
1 1 1    0   28   32 o   17.194   2.7184  362.557   90.757  248.186  140.005  445.453  119.193   14.067   4.5197   20.321   3.0216 -6.254035 5.436719 
1 1 1    0   29    1 o  222.192   1.4452 47856.98  614.492 47482.72  802.591 48387.15  955.255  221.150   1.8696  223.234   2.2044 -2.083710 2.890456 
1 1 1    0   29    2 o  258.469   1.5435 64877.18  767.262 64939.27  1018.45 64795.70  1166.75  258.619   2.0287  258.319   2.3268 0.3001404 3.086981 
1 1 1    0   29    3 o   88.008   0.8591  7435.72  139.559  7258.58  171.496  7783.02  240.129   86.475   1.0216   89.541   1.3815 -3.066032 1.718252 
1 1 1    0   29    4 o   7.2958   1.9724   27.783   40.603   60.981   58.645  -2.7813   56.271   8.4086   2.9286   6.1830   2.6428 2.225682 3.944740 
1 1 1    0   29    5 o  130.722   1.2397 16590.39  314.543 16582.92  441.487 16598.09  448.253  130.692   1.7402  130.752   1.7661 -0.5920410E-01 2.479394 
1 1 1    0   29    6 o  100.424   1.0694  9787.68  208.359  9707.88  289.533  9873.41  300.077  100.000   1.4915  100.848   1.5328 -0.8483658 2.138760 
1 1 1    0   29    7 o  300.636   1.7467 87793.05  1019.24 88908.22  1437.47 86665.53  1445.42  302.558   2.4475  298.714   2.4927 3.844055 3.493421 
1 1 1    0   29    8 o  271.023   1.7057 71348.85  897.278 72808.94  1271.61 69900.97  1266.29  273.787   2.3926  268.260   2.4317 5.526489 3.411441 
1 1 1    0   29    9 o   30.378   0.8817  895.283   51.950  910.170   75.254  881.729   71.805   30.619   1.2661   30.137   1.2274 0.4819775 1.763392 
1 1 1    0   29   10 o  249.194   1.6823 60330.92  813.677 60126.02  1140.14 60543.61  1161.59  248.765   2.3610  249.623   2.3972 -0.8583984 3.364671 
1 1 1    0   29   11 o   64.075   0.7386  3961.18   88.130  3900.13  109.654  4072.55  148.110   63.384   0.8912   64.766   1.1781 -1.381458 1.477196 
1 1 1    0   29   12 o   76.067   0.8141  5655.20  116.278  5770.29  147.664  5467.36  188.645   77.096   0.9867   75.039   1.2951 2.057228 1.628120 
1 1 1    0   29   13 o   93.174   0.9143  8396.58  159.876  8301.65  201.236  8559.03  263.257   92.468   1.1211   93.880   1.4446 -1.411980 1.828583 
1 1 1    0   29   14 o   10.195   2.0309  102.810   41.310   98.548   53.351  109.190   65.278   9.9057   2.7004   10.484   3.0341 -0.5782728 4.061800 
1 1 1    0   29   15 o   32.941   0.8097  1055.25   51.396  1066.11   68.845  1041.58   77.249   33.134   1.0704   32.749   1.2152 0.3857117 1.619349 
1 1 1    0   29   16 o   30.252   0.9195  891.039   53.681  909.002   72.507  869.251   79.856   30.592   1.2210   29.913   1.3753 0.6792793 1.839062 
1 1 1    0   29   17 o   75.288   0.8497  5493.39  120.141  5457.30  151.539  5554.46  197.124   74.963   1.0414   75.612   1.3430 -0.6497803 1.699465 
1 1 1    0   29   18 o   97.432   1.0101  9235.77  185.737  9269.94  236.677  9180.98  299.677   97.682   1.2482   97.183   1.5885 0.4986267 2.020252 
1 1 1    0   29   19 o   74.280   0.8683  5345.28  121.303  5299.19  153.276  5422.54  198.435   73.862   1.0690   74.698   1.3685 -0.8363342 1.736549 
1 1 1    0   29   20 o   65.683   0.8460  4204.23  105.463  4251.38  135.977  4133.04  167.074   66.155   1.0589   65.212   1.3198 0.9426651 1.692074 
1 1 1    0   29   21 o  103.403   1.0885 10409.18  211.816 10435.64  268.661 10365.73  344.338  103.605   1.3359  103.201   1.7188 0.4040680 2.176912 
1 1 1    0   29   22 o   64.633   0.8885  4071.28  108.260  4102.44  137.864  4021.16  174.850   64.970   1.0931   64.296   1.4009 0.6742935 1.776946 
1 1 1    0   29   23 o   57.184   0.8708  3198.34   95.130  3292.63  125.014  3068.62  146.625   58.201   1.1065   56.167   1.3448 2.034462 1.741529 
1 1 1    0   29   24 o   9.3236   2.4270   51.445   62.805 -16.6755   88.065  121.949   89.593   7.4161   3.2379   11.231   3.6163 -3.814866 4.854033 
1 1 1    0   29   25 o   59.798   0.9100  3504.35  103.395  3593.09  134.139  3374.46  162.295   60.759   1.1373   58.836   1.4210 1.923321 1.820095 
1 1 1    0   29   26 o   34.059   1.1287  1129.79   73.451  1109.92   95.396  1158.71  115.112   33.714   1.4577   34.405   1.7236 -0.6914406 2.257332 
1 1 1    0   29   27 o   43.440   0.9774  1839.97   81.934  1804.74  109.611  1884.60  123.345   42.984   1.3136   43.895   1.4476 -0.9109268 1.954774 
1 1 1    0   29   28 o   41.015   1.1361  1661.52   88.999  1617.83  137.791  1692.79  116.579   40.497   1.7528   41.532   1.4460 -1.034451 2.272276 
1 1 1    0   29   29 o   10.378   2.5652   90.221   69.741   10.027   98.179  171.904   99.086   8.1501   3.4875   12.606   3.7627 -4.455475 5.130334 
1 1 1    0   29   30 o   27.435   1.4510  755.934   77.223  751.410  107.146  760.824  111.397   27.366   2.0170   27.505   2.0864 -0.1394520 2.901944 
1 1 1    0   29   31 o   24.362   1.7314  614.423   81.204  532.950  115.478  694.121  114.213   22.650   2.6265   26.074   2.2565 -3.424252 3.462709 
1 1 1    0   30    0 o  284.908   2.4720 78113.82  1307.65 76438.33  1618.86 81259.61  2218.21  280.574   2.9723  289.241   3.9507 -8.667023 4.943985 
1 1 1    0   30    1 o  216.406   1.6660 45525.85  650.368 45607.34  786.362 45349.41  1157.00  216.734   1.8691  216.078   2.7584 0.6559143 3.332004 
1 1 1    0   30    2 o  167.186   1.2806 27030.27  405.845 26649.84  518.848 27629.92  651.411  165.682   1.6132  168.690   1.9893 -3.008102 2.561223 
1 1 1    0   30    3 o  139.731   1.1624 18838.03  304.974 18503.94  383.584 19412.11  502.821  138.061   1.4313  141.400   1.8319 -3.338577 2.324731 
1 1 1    0   30    4 o  212.421   1.7099 43785.00  694.333 44016.15  1081.81 43623.07  905.434  212.888   2.6178  211.955   2.2006 0.9329376 3.419892 
1 1 1    0   30    5 o  166.888   1.4249 27042.66  461.588 26992.60  650.822 27093.32  654.764  166.732   2.0108  167.043   2.0193 -0.3105316 2.849712 
1 1 1    0   30    6 o   61.508   0.8221  3670.94   98.118  3728.02  141.023  3617.38  136.602   61.971   1.1723   61.044   1.1528 0.9263306 1.644137 
1 1 1    0   30    7 o   80.494   0.9435  6288.28  147.390  6207.64  205.770  6373.24  211.218   79.964   1.3256   81.024   1.3429 -1.059280 1.886998 
1 1 1    0   30    8 o  158.434   1.3983 24370.75  429.804 24201.24  597.239 24552.85  619.014  157.864   1.9489  159.004   2.0055 -1.140060 2.796518 
1 1 1    0   30    9 o   46.679   0.7683  2116.82   69.524  2081.04  100.426  2149.74   96.344   46.299   1.1174   47.058   1.0547 -0.7585640 1.536534 
1 1 1    0   30   10 o  140.728   1.3696 19237.45  374.134 19115.38  527.751 19360.77  530.469  140.279   1.9381  141.176   1.9357 -0.8976593 2.739160 
1 1 1    0   30   11 o  114.426   1.2027 12723.46  266.430 12807.41  364.387 12627.02  390.550  114.835   1.6346  114.017   1.7646 0.8176041 2.405369 
1 1 1    0   30   12 o   98.667   0.9573  9437.28  177.324  9391.14  223.632  9515.42  291.022   98.349   1.1714   98.986   1.5146 -0.6373825 1.914692 
1 1 1    0   30   13 o   88.105   0.8725  7512.86  144.111  7442.75  181.201  7633.53  237.727   87.553   1.0662   88.657   1.3813 -1.104141 1.744937 
1 1 1    0   30   14 o   28.399   0.8661  800.283   46.602  888.120   61.858  684.992   70.869   30.243   1.0537   26.556   1.3748 3.686932 1.732119 
1 1 1    0   30   15 o   67.223   0.7983  4424.98  101.213  4550.54  129.709  4229.51  161.838   68.458   0.9761   65.989   1.2634 2.468353 1.596531 
1 1 1    0   30   16 o   80.060   0.8583  6238.57  129.327  6279.34  164.191  6171.94  209.910   80.412   1.0519   79.707   1.3567 0.7049332 1.716673 
1 1 1    0   30   17 o   75.906   0.8685  5576.19  123.985  5513.61  156.550  5681.51  203.076   75.344   1.0704   76.467   1.3681 -1.122017 1.737077 
1 1 1    0   30   18 o   28.421   1.0453  788.971   57.083  815.243   76.253  755.476   86.097   28.965   1.3562   27.877   1.5910 1.088047 2.090601 
1 1 1    0   30   19 o   32.345   0.9423  1014.27   58.997  986.274   80.032  1047.60   87.312   31.858   1.2941   32.832   1.3700 -0.9731827 1.884576 
1 1 1    0   30   20 o   46.764   0.8462  2124.72   75.848  2122.88   99.652  2127.26  116.940   46.744   1.0982   46.784   1.2877 -0.3952789E-01 1.692382 
1 1 1    0   30   21 o   43.685   0.8874  1843.19   74.292  1784.84   96.902  1926.39  115.713   42.856   1.1648   44.514   1.3391 -1.657978 1.774844 
1 1 1    0   30   22 o   14.982   2.1833  227.044   61.210  214.672   82.785  241.964   90.911   14.533   3.0326   15.431   3.1417 -0.8986797 4.366620 
1 1 1    0   30   23 o   46.355   0.8953  2090.96   79.601  2096.96  104.865  2082.81  122.277   46.441   1.1632   46.269   1.3614 0.1717796 1.790676 
1 1 1    0   30   24 o   49.753   0.9053  2401.85   85.830  2370.19  110.910  2449.12  135.520   49.359   1.1576   50.147   1.3922 -0.7887840 1.810544 
1 1 1    0   30   25 o   60.160   0.9097  3523.58  104.253  3512.00  134.933  3540.74  164.215   60.060   1.1574   60.261   1.4038 -0.2010689 1.819398 
1 1 1    0   30   26 o   42.808   0.9853  1798.93   80.811  1854.35  107.006  1725.37  123.282   43.602   1.2643   42.014   1.5116 1.588150 1.970617 
1 1 1    0   30   27 o   22.780   1.4866  514.731   65.471  558.987   91.707  468.726   93.501   23.805   1.9846   21.756   2.2140 2.049189 2.973270 
1 1 1    0   30   28 o   10.516   2.6062   98.861   68.696  157.540   99.132   44.648   95.283   12.181   3.7893   8.8514   3.5792 3.329790 5.212483 
1 1 1    0   30   29 o   22.979   1.7489  528.388   77.240  573.355  119.567  496.184  101.186   23.764   2.5920   22.194   2.3486 1.569378 3.497781 
1 1 1    0   30   30 o   22.963   1.7483  539.602   77.666  593.275  110.554  487.301  109.132   24.144   2.3589   21.782   2.5810 2.361666 3.496546 
1 1 1    0   30   31 o   13.213   2.9527  205.278   83.291  209.485  136.057  202.756  105.335   13.233   4.4652   13.193   3.8646 0.4001617E-01 5.905401 
1 1 1    0   31    1 o   56.170   2.1816  3505.47   95.785  3551.80   98.241  2613.75  431.005   60.491   0.8366   51.850   4.2822 8.641602 4.363201 
1 1 1    0   31    2 f  238.642   1.5177 55206.79  693.797 54740.46  908.447 55859.45  1074.74  237.442   1.9710  239.841   2.3084 -2.398483 3.035362 
1 1 1    0   31    3 f  302.057   1.6591 88556.02  965.667 88224.84  1288.78 88979.98  1458.17  301.423   2.2026  302.691   2.4817 -1.268188 3.318153 
1 1 1    0   31    4 o  202.570   1.4289 39897.59  552.555 40137.76  720.074 39553.64  861.728  203.321   1.8244  201.820   2.1996 1.501160 2.857760 
1 1 1    0   31    5 o  151.624   1.3581 22324.71  399.693 22448.42  563.357 22199.32  567.165  152.047   1.9087  151.200   1.9324 0.8467712 2.716112 
1 1 1    0   31    6 o  173.215   1.4717 29138.54  494.839 29346.33  698.950 28929.73  700.669  173.835   2.0713  172.595   2.0913 1.239243 2.943452 
1 1 1    0   31    7 o  217.612   1.5778 45996.74  666.414 46092.42  934.981 45897.94  950.104  217.843   2.2110  217.380   2.2516 0.4629211 3.155664 
1 1 1    0   31    8 o  244.960   1.6673 58298.75  792.601 58395.31  1109.00 58197.92  1133.21  245.170   2.3302  244.750   2.3852 0.4202271 3.334528 
1 1 1    0   31    9 o  105.448   1.1407 10798.14  233.498 10771.58  329.356 10824.99  331.082  105.317   1.6110  105.578   1.6155 -0.2606125 2.281467 
1 1 1    0   31   10 o   66.521   0.8593  4295.12  110.937  4178.35  155.489  4416.20  158.327   65.601   1.2210   67.442   1.2094 -1.841537 1.718574 
1 1 1    0   31   11 o   53.718   3.2843  2803.42  341.547  2663.58  462.641  2970.93  506.354   52.257   4.5607   55.180   4.7273 -2.922642 6.568647 
1 1 1    0   31   12 o   91.681   0.8985  8171.54  156.137  8206.82  200.490  8117.17  248.902   91.937   1.1234   91.424   1.4025 0.5127716 1.796950 
1 1 1    0   31   13 o   55.526   0.7230  2971.80   75.140  2913.42   94.036  3074.90  124.970   54.780   0.8843   56.272   1.1441 -1.492058 1.445993 
1 1 1    0   31   14 o  107.209   1.0228 11244.33  206.296 11497.54  262.888 10838.49  332.821  108.803   1.2447  105.614   1.6234 3.188828 2.045645 
1 1 1    0   31   15 o   6.3002   1.9329  -9.8100   43.698   2.4022   57.090 -27.0858   67.903   6.3615   2.6883   6.2390   2.7781 0.1225381 3.865864 
1 1 1    0   31   16 o   18.052   1.4252  316.064   49.672  308.719   66.512  325.326   74.689   17.817   1.9231   18.287   2.1040 -0.4694614 2.850476 
1 1 1    0   31   17 o  115.375   1.1882 12982.71  255.780 13090.78  320.922 12794.49  423.505  116.064   1.4244  114.687   1.9023 1.376663 2.376497 
1 1 1    0   31   18 o   55.022   0.8090  2938.98   84.749  2930.84  109.556  2951.11  133.736   54.932   1.0274   55.113   1.2501 -0.1804199 1.618091 
1 1 1    0   31   19 o   33.699   0.9374  1085.73   60.598  994.519   78.711  1218.47   94.955   31.991   1.2675   35.406   1.3816 -3.415237 1.874892 
1 1 1    0   31   20 o   56.392   0.8226  3106.61   88.785  3195.19  117.151  2987.09  136.087   57.347   1.0524   55.436   1.2646 1.911293 1.645224 
1 1 1    0   31   21 o  129.195   1.2688 16253.91  310.220 16257.01  396.861 16249.03  497.406  129.257   1.5817  129.132   1.9843 0.1251831 2.537566 
1 1 1    0   31   22 o   76.957   0.9312  5747.50  134.917  5710.61  170.833  5808.66  219.941   76.648   1.1482   77.267   1.4664 -0.6188660 1.862419 
1 1 1    0   31   23 o   24.010   1.3875  556.576   64.326  495.556   86.091  633.699   96.786   22.536   1.9680   25.485   1.9564 -2.948999 2.774992 
1 1 1    0   31   24 o   26.447   1.3095  680.020   66.893  650.914   89.483  716.891  100.713   25.815   1.7857   27.079   1.9160 -1.263884 2.619068 
1 1 1    0   31   25 o   11.003   2.5808  116.110   65.028  138.862   89.355   90.493   94.814   11.733   3.5891   10.274   3.7095 1.458673 5.161577 
1 1 1    0   31   26 o   38.656   1.0369  1460.39   77.406  1458.26  104.283  1463.00  115.513   38.639   1.3904   38.674   1.5387 -0.3531647E-01 2.073793 
1 1 1    0   31   27 o   45.797   0.9555  2062.90   83.849  2119.68  110.965  1987.33  128.014   46.569   1.2275   45.025   1.4647 1.543831 1.911036 
1 1 1    0   31   28 f   39.306   1.0233  1516.37   77.646  1494.59  104.135  1543.64  116.522   39.013   1.3751   39.599   1.5159 -0.5855865 2.046623 
1 1 1    0   31   29 o   16.656   2.3439  299.733   73.087  328.320  103.331  271.112  103.390   17.546   3.1495   15.765   3.4723 1.781414 4.687890 
1 1 1    0   31   30 o   30.335   1.5271  931.038   87.754  932.458  140.031  930.120  112.608   30.216   2.3874   30.454   1.9048 -0.2381153 3.054178 
1 1 1    0   31   31 o   10.894   2.8496  123.628   84.720   43.291  132.775  178.797  110.030   9.4458   4.0491   12.343   4.0108 -2.896735 5.699298 
1 1 1    0   32    0 o  235.934   2.4372 54311.49  1062.10 54884.19  1317.12 53246.71  1795.93  237.745   2.8540  234.124   3.9516 3.620438 4.874480 
1 1 1    0   32    1 o   76.876   1.8669  5886.76  141.209  5910.76  146.503  5572.60  530.067   78.034   0.9672   75.718   3.6063 2.315208 3.733758 
1 1 1    0   32    2 o  180.921   1.3448 31712.92  463.196 31429.52  597.839 32138.55  732.645  179.919   1.7118  181.923   2.0746 -2.003693 2.689646 
1 1 1    0   32    3 o   34.020   0.7137  1121.52   45.110  1116.88   56.115  1130.01   75.844   33.921   0.8522   34.118   1.1452 -0.1975288 1.427461 
1 1 1    0   32    4 o   91.896   0.9169  8169.02  155.387  8105.60  191.463  8291.39  265.963   91.378   1.0794   92.413   1.4826 -1.035088 1.833891 
1 1 1    0   32    5 o  137.763   1.2965 18417.77  346.539 18105.64  480.883 18754.98  499.828  136.550   1.8142  138.976   1.8527 -2.425690 2.593056 
1 1 1    0   32    6 o   85.677   0.9750  7125.72  162.137  7252.82  230.653  7001.56  227.963   86.432   1.3747   84.922   1.3829 1.510437 1.949932 
1 1 1    0   32    7 o   36.244   0.8110  1272.14   56.820  1308.28   84.843  1242.75   76.512   36.710   1.1906   35.779   1.1016 0.9305573 1.622087 
1 1 1    0   32    8 o   77.174   0.9378  5772.04  140.359  6064.40  203.763  5508.07  193.620   79.030   1.3282   75.318   1.3243 3.712082 1.875606 
1 1 1    0   32    9 o   75.534   0.9223  5537.58  135.192  5456.82  188.324  5623.45  194.190   74.966   1.2941   76.102   1.3145 -1.135513 1.844646 
1 1 1    0   32   10 f  170.352   1.4974 28214.54  494.836 28933.08  693.244 27468.14  706.553  172.568   2.0695  168.135   2.1648 4.433426 2.994858 
1 1 1    0   32   11 o  174.247   1.5158 29509.42  512.635 30045.42  723.653 28969.48  726.305  175.837   2.1201  172.656   2.1671 3.181763 3.031659 
1 1 1    0   32   12 o   84.773   0.8907  6947.35  139.631  6876.35  172.503  7082.26  237.792   84.155   1.0560   85.392   1.4346 -1.236839 1.781302 
1 1 1    0   32   13 o   41.610   0.7232  1680.34   57.305  1676.72   74.136  1685.70   90.323   41.556   0.9190   41.664   1.1168 -0.1075935 1.446311 
1 1 1    0   32   14 o   56.998   0.7405  3133.04   79.410  3068.80  100.122  3241.98  130.383   56.219   0.9174   57.777   1.1625 -1.557861 1.480932 
1 1 1    0   32   15 o   61.499   0.7577  3666.01   87.623  3645.37  110.757  3700.54  143.259   61.272   0.9312   61.725   1.1956 -0.4534111 1.515469 
1 1 1    0   32   16 o  125.112   1.1292 15220.44  266.486 15235.61  339.077 15195.92  430.973  125.216   1.3950  125.008   1.7760 0.2081680 2.258373 
1 1 1    0   32   17 o   82.512   0.9191  6665.24  143.154  6841.27  183.615  6392.41  228.596   83.922   1.1271   81.101   1.4520 2.821114 1.838145 
1 1 1    0   32   18 o  129.002   1.2354 16230.24  302.881 16406.55  391.542 15967.54  477.941  129.905   1.5527  128.098   1.9221 1.807022 2.470865 
1 1 1    0   32   19 f   21.767   1.3325  452.823   55.664  370.954   73.764  561.112   84.835   19.521   1.9466   24.013   1.8200 -4.492022 2.664918 
1 1 1    0   32   20 o   61.992   0.8540  3755.44  100.682  3841.35  130.759  3630.32  157.794   62.877   1.0713   61.108   1.3302 1.769218 1.707986 
1 1 1    0   32   21 o   29.339   1.4624  847.157   79.439  813.331  132.832  865.991   99.117   28.857   2.3713   29.821   1.7122 -0.9645214 2.924886 
1 1 1    0   32   22 o   73.210   0.9302  5234.10  128.449  5304.42  163.969  5122.39  206.660   73.868   1.1435   72.552   1.4674 1.315750 1.860322 
1 1 1    0   32   23 o   52.539   0.8760  2684.06   88.017  2676.80  114.924  2694.36  136.887   52.464   1.1285   52.615   1.3403 -0.1505547 1.752060 
1 1 1    0   32   24 o   14.608   2.2642  224.588   63.825  283.210   85.702  151.583   95.639   16.959   2.6032   12.257   3.7053 4.702740 4.528389 
1 1 1    0   32   25 o   54.536   0.9040  2919.76   94.251  3025.03  124.313  2777.43  144.546   55.724   1.1492   53.348   1.3958 2.376167 1.808042 
1 1 1    0   32   26 o   13.158   2.4836  180.790   64.450  171.627   87.335  191.747   95.504   12.807   3.4399   13.508   3.5833 -0.7005405 4.967226 
1 1 1    0   32   27 o   27.147   1.3303  728.487   70.066  739.358   97.979  717.109  100.237   27.363   1.8446   26.930   1.9175 0.4333744 2.660659 
1 1 1    0   32   28 o   13.670   2.4456  203.542   68.083  284.171   95.507  120.237   97.079   16.391   3.1155   10.948   3.7705 5.443082 4.891102 
1 1 1    0   32   29 o   11.888   3.0309  147.290   87.093  114.639  157.583  161.650  104.504   11.622   4.6366   12.155   3.9048 -0.5327721 6.061817 
1 1 1    0   32   30 o   26.626   1.4969  718.016   77.343  739.497  109.597  696.704  109.162   27.038   2.0882   26.214   2.1452 0.8233509 2.993718 
1 1 1    0   32   31 o   16.073   2.8022  300.286   87.330  394.071  133.781  230.645  115.282   18.312   3.8839   13.834   4.0403 4.478029 5.604353 
1 1 1    0   33    1 o  102.599   1.7072 10375.88  226.605 10428.37  242.882 10023.17  629.601  103.645   1.2072  101.553   3.1938 2.091705 3.414322 
1 1 1    0   33    2 o  207.157   1.4525 41634.42  574.649 41448.83  747.633 41902.35  898.311  206.604   1.8642  207.710   2.2279 -1.106689 2.904965 
1 1 1    0   33    3 o  268.156   1.6269 69977.60  838.790 70849.41  1115.69 68844.23  1272.09  270.095   2.1280  266.217   2.4616 3.877441 3.253871 
1 1 1    0   33    4 o  167.895   1.3364 27339.83  424.975 27220.07  543.765 27527.79  681.210  167.432   1.6730  168.357   2.0844 -0.9249725 2.672796 
1 1 1    0   33    5 o  210.362   1.5760 42982.00  643.364 42868.16  898.030 43102.04  922.158  210.078   2.2021  210.646   2.2552 -0.5683136 3.152043 
1 1 1    0   33    6 o   96.709   1.0808  9079.46  202.825  9011.73  282.387  9151.63  291.506   96.337   1.5100   97.081   1.5468 -0.7438812 2.161693 
1 1 1    0   33    7 o  150.264   1.3711 21927.71  399.845 21676.71  558.571 22191.51  572.624  149.384   1.9262  151.145   1.9517 -1.761826 2.742165 
1 1 1    0   33    8 o  121.813   1.2624 14411.54  298.496 14308.87  419.167 14517.18  425.170  121.373   1.7791  122.253   1.7916 -0.8796463 2.524878 
1 1 1    0   33    9 o   14.575   1.7138  211.213   46.983  194.933   69.222  225.119   63.976   13.929   2.6570   15.221   2.1652 -1.291976 3.427554 
1 1 1    0   33   10 f  126.148   1.2835 15463.20  314.185 15874.86  443.237 15047.48  445.420  127.838   1.7861  124.459   1.8437 3.379272 2.566958 
1 1 1    0   33   11 o   80.264   0.9699  6256.27  151.107  6314.01  214.501  6199.39  212.903   80.631   1.3704   79.896   1.3727 0.7352905 1.939730 
1 1 1    0   33   12 o   52.650   0.7391  2707.64   73.329  2760.37   93.604  2623.87  117.985   53.321   0.9043   51.980   1.1693 1.340733 1.478209 
1 1 1    0   33   13 o   90.323   0.9202  7936.02  156.387  7972.83  198.367  7875.56  254.205   90.609   1.1278   90.038   1.4544 0.5707855 1.840472 
1 1 1    0   33   14 o   62.025   0.7603  3734.99   89.050  3731.41  113.457  3740.74  143.710   61.990   0.9428   62.060   1.1929 -0.6939316E-01 1.520534 
1 1 1    0   33   15 o   41.855   0.7495  1709.31   59.078  1734.89   75.242  1668.19   95.399   42.269   0.9170   41.442   1.1859 0.8267212 1.499067 
1 1 1    0   33   16 o   44.867   0.7883  1958.87   67.437  1974.41   87.693  1936.38  105.498   45.089   1.0019   44.646   1.2173 0.4429321 1.576597 
1 1 1    0   33   17 o  120.499   1.1700 14168.95  267.474 14364.13  344.920 13874.52  423.628  121.568   1.4616  119.431   1.8273 2.136894 2.339930 
1 1 1    0   33   18 f   58.940   0.8232  3372.76   92.605  3362.49  120.367  3387.67  144.962   58.835   1.0539   59.044   1.2648 -0.2093315 1.646327 
1 1 1    0   33   19 o   95.040   1.0357  8824.86  184.933  8952.50  234.686  8615.77  300.377   95.974   1.2597   94.106   1.6443 1.868240 2.071385 
1 1 1    0   33   20 o   67.711   0.8711  4435.44  111.635  4364.53  142.284  4549.00  180.053   67.020   1.0937   68.401   1.3560 -1.380882 1.742116 
1 1 1    0   33   21 o   47.502   0.8537  2184.43   77.612  2140.68  101.117  2247.17  121.080   46.931   1.1099   48.072   1.2975 -1.141113 1.707484 
1 1 1    0   33   22 o   37.699   0.9868  1379.06   71.854  1346.21   96.393  1420.14  107.794   37.199   1.3349   38.199   1.4537 -0.9996262 1.973623 
1 1 1    0   33   23 o   48.213   0.9173  2267.65   84.890  2295.90  112.379  2230.12  129.547   48.575   1.1918   47.851   1.3947 0.7232056 1.834536 
1 1 1    0   33   24 o   29.640   1.2165  863.012   69.624  928.500   96.324  791.361  100.753   30.837   1.6092   28.444   1.8247 2.392578 2.432915 
1 1 1    0   33   25 o   8.4273   2.4297   17.639   65.097 -31.4195   89.816   71.930   94.484   7.1537   3.1896   9.7009   3.6662 -2.547210 4.859442 
1 1 1    0   33   26 o   29.052   1.2286  825.226   69.119  770.783   93.910  889.581  102.102   28.014   1.7269   30.091   1.7480 -2.077145 2.457161 
1 1 1    0   33   27 o   24.396   1.4454  585.438   68.114  528.603   91.141  657.344  102.515   23.071   2.0351   25.722   2.0531 -2.651312 2.890835 
1 1 1    0   33   28 o   23.783   1.5691  566.875   72.362  600.164  102.841  534.234  101.838   24.493   2.1630   23.072   2.2738 1.420551 3.138266 
1 1 1    0   33   29 o   16.218   2.3860  287.740   72.571  286.270   99.745  289.394  105.781   16.220   3.2806   16.216   3.4655 0.3740311E-02 4.772053 
1 1 1    0   33   30 o   17.860   2.4740  340.436   83.291  457.100  131.423  262.123  107.676   20.583   3.2892   15.137   3.6965 5.446270 4.947974 
1 1 1    0   34    0 o   97.783   2.4078  9310.17  292.678  9316.82  311.352  9259.67  858.019   97.966   1.6372   97.601   4.5287 0.3644791 4.815601 
1 1 1    0   34    1 o   32.379   2.3322  855.726   48.245  847.196   48.826  1207.41  313.499   29.543   0.8514   35.216   4.5860 -5.672834 4.664386 
1 1 1    0   34    2 o  106.341   1.0347 11007.55  205.232 11081.93  257.274 10877.39  340.332  106.841   1.2405  105.841   1.6565 1.000366 2.069472 
1 1 1    0   34    3 o  234.007   1.5410 53271.19  691.373 53719.45  911.119 52662.71  1061.52  235.184   1.9957  232.830   2.3487 2.353851 3.082096 
1 1 1    0   34    4 o   31.324   0.7510  940.362   43.619  912.801   53.819  993.122   74.462   30.665   0.9041   31.984   1.1993 -1.318933 1.501961 
1 1 1    0   34    5 o   87.108   1.0073  7366.00  170.258  7309.61  237.186  7425.95  244.545   86.765   1.4083   87.452   1.4405 -0.6869278 2.014536 
1 1 1    0   34    6 o  239.500   1.6757 55745.64  778.899 55817.23  1090.76 55671.15  1112.63  239.660   2.3446  239.340   2.3948 0.3202515 3.351443 
1 1 1    0   34    7 o   68.894   0.8931  4608.85  119.429  4658.22  168.613  4559.14  169.186   69.264   1.2541   68.524   1.2719 0.7409286 1.786175 
1 1 1    0   34    8 f   67.551   0.8759  4431.54  114.787  4618.13  162.756  4246.87  161.913   68.967   1.2157   66.136   1.2612 2.831131 1.751734 
1 1 1    0   34    9 o   19.925   1.3042  389.743   49.716  462.958   70.041  315.397   70.580   21.833   1.6527   18.017   2.0180 3.815266 2.608403 
1 1 1    0   34   10 o   91.140   1.0653  8065.80  188.438  8254.29  268.774  7883.58  264.265   92.188   1.5019   90.093   1.5111 2.094269 2.130519 
1 1 1    0   34   11 o  108.183   1.1839 11370.21  248.615 11542.93  353.527 11201.21  349.693  108.996   1.6709  107.370   1.6778 1.625946 2.367891 
1 1 1    0   34   12 o  103.826   1.0049 10481.23  194.657 10506.31  243.839 10437.17  323.210  104.009   1.2077  103.642   1.6065 0.3675003 2.009842 
1 1 1    0   34   13 o   73.592   0.8324  5268.42  114.853  5292.92  144.931  5227.05  188.312   73.829   1.0113   73.355   1.3225 0.4734421 1.664803 
1 1 1    0   34   14 o   97.061   0.9693  9163.42  176.156  9194.59  221.798  9110.17  289.902   97.297   1.1743   96.826   1.5424 0.4716873 1.938573 
1 1 1    0   34   15 o   80.877   0.8672  6315.83  130.904  6216.72  163.360  6493.65  218.819   80.005   1.0519   81.748   1.3789 -1.743019 1.734322 
1 1 1    0   34   16 f  142.757   1.3086 19862.54  356.155 20037.89  463.141 19608.79  557.148  143.559   1.6619  141.955   2.0219 1.604568 2.617262 
1 1 1    0   34   17 o   79.906   0.9061  6207.00  136.207  6215.39  172.607  6193.16  221.748   79.989   1.1116   79.823   1.4311 0.1657028 1.812109 
1 1 1    0   34   18 o   9.8617   2.4215   85.546   56.910   98.618   76.387   69.240   85.316   10.233   3.3426   9.4906   3.5044 0.7422028 4.842931 
1 1 1    0   34   19 o   72.729   0.8920  5121.18  122.481  5055.31  155.548  5228.67  198.699   72.128   1.1109   73.330   1.3959 -1.201805 1.784007 
1 1 1    0   34   20 o   65.043   0.8564  4080.42  105.602  3968.04  134.630  4260.12  170.249   63.898   1.0854   66.187   1.3251 -2.289028 1.712872 
1 1 1    0   34   21 o   24.403   1.3367  581.696   63.133  601.481   86.981  559.667   91.779   24.847   1.8034   23.959   1.9734 0.8881550 2.673311 
1 1 1    0   34   22 o   55.486   0.8825  2996.96   93.522  3007.01  121.929  2982.60  145.760   55.610   1.1295   55.362   1.3563 0.2483978 1.765046 
1 1 1    0   34   23 o   75.957   0.9580  5667.19  137.366  5832.38  176.366  5412.44  219.019   77.411   1.1737   74.503   1.5144 2.907677 1.915972 
1 1 1    0   34   24 f   50.188   0.9070  2453.76   87.155  2446.99  114.149  2463.22  134.957   50.122   1.1732   50.254   1.3834 -0.1313095 1.813933 
1 1 1    0   34   25 o   17.690   1.9241  318.108   63.707  340.207   85.822  290.984   95.079   18.550   2.3834   16.830   3.0213 1.719952 3.848223 
1 1 1    0   34   26 o   37.534   1.0439  1381.70   75.907  1391.77  104.331  1370.37  110.644   37.692   1.4259   37.376   1.5250 0.3158226 2.087780 
1 1 1    0   34   27 o   12.598   2.5572  171.034   66.288  195.198   93.311  146.415   94.185   13.432   3.5319   11.764   3.6991 1.667460 5.114465 
1 1 1    0   34   28 o   16.372   2.2514  286.391   69.622  360.716   99.104  213.965   97.830   18.787   2.7175   13.958   3.5902 4.828703 4.502716 
1 1 1    0   34   29 o   26.794   1.5216  726.545   78.694  634.306  110.206  822.507  112.408   24.995   2.2713   28.592   2.0253 -3.596796 3.043143 
1 1 1    0   34   30 o   10.655   2.7808   90.366   81.032  208.704  125.710   6.2460  105.989   13.213   4.2867   8.0974   3.5432 5.116018 5.561533 
1 1 1    0   35    1 o  153.210   1.6998 23098.41  423.235 23345.53  482.599 22275.18  880.816  155.053   1.6034  151.367   2.9977 3.686188 3.399573 
1 1 1    0   35    2 o  100.631   0.9745  9858.84  182.560  9926.98  228.320  9738.05  303.982  101.119   1.1632  100.142   1.5637 0.9774475 1.948917 
1 1 1    0   35    3 o  145.012   1.2193 20374.32  333.178 20224.07  422.328 20621.95  542.185  144.316   1.5075  145.708   1.9169 -1.391556 2.438689 
1 1 1    0   35    4 o   25.976   0.8348  656.181   39.616  658.272   48.475  651.977   68.742   26.040   0.9590   25.912   1.3666 0.1275368 1.669521 
1 1 1    0   35    5 o   92.367   0.9416  8320.95  161.214  8409.85  200.747  8159.50  270.547   93.071   1.1111   91.663   1.5205 1.407372 1.883220 
1 1 1    0   35    6 o   62.267   0.8375  3759.00  101.129  3651.85  139.206  3878.76  147.162   61.329   1.1693   63.205   1.1994 -1.876183 1.675083 
1 1 1    0   35    7 o   73.011   0.9345  5175.48  132.421  5152.01  185.464  5199.90  189.134   72.842   1.3116   73.179   1.3314 -0.3373032 1.868968 
1 1 1    0   35    8 o   40.799   0.8056  1616.06   63.779  1618.80   91.553  1613.48   88.901   40.832   1.1551   40.766   1.1234 0.6673431E-01 1.611288 
1 1 1    0   35    9 o  103.486   1.1609 10397.87  233.105 10243.83  324.120 10562.92  335.493  102.693   1.6259  104.278   1.6574 -1.585533 2.321759 
1 1 1    0   35   10 o   83.535   1.0039  6777.97  162.791  6803.59  230.023  6752.26  230.419   83.693   1.4158   83.376   1.4237 0.3166809 2.007849 
1 1 1    0   35   11 o   65.833   0.8807  4208.89  112.537  4249.56  160.205  4169.27  158.117   66.147   1.2477   65.520   1.2432 0.6277847 1.761315 
1 1 1    0   35   12 o   85.068   0.9221  7075.70  145.466  7190.69  181.516  6869.29  243.197   86.050   1.0867   84.085   1.4900 1.964813 1.844131 
1 1 1    0   35   13 o  144.778   1.2114 20408.71  331.856 20533.35  424.996 20213.98  531.202  145.369   1.5061  144.187   1.8979 1.181946 2.422858 
1 1 1    0   35   14 o  105.754   1.0112 10859.00  200.969 10833.61  254.015 10901.49  328.598  105.604   1.2391  105.904   1.5984 -0.2997818 2.022462 
1 1 1    0   35   15 o   61.922   0.7797  3728.40   90.796  3740.62  115.037  3708.20  147.867   62.063   0.9549   61.782   1.2329 0.2810516 1.559458 
1 1 1    0   35   16 o   23.398   1.1829  526.497   53.218  492.692   69.755  573.580   82.321   22.512   1.5963   24.285   1.7462 -1.773710 2.365879 
1 1 1    0   35   17 o  145.829   1.3485 20724.88  373.745 20840.61  482.540 20551.34  590.872  146.378   1.6982  145.279   2.0952 1.099792 2.697000 
1 1 1    0   35   18 o   14.793   1.9617  219.665   54.964   86.970   73.989  383.061   82.104   9.7590   3.2928   19.827   2.1332 -10.06831 3.923419 
1 1 1    0   35   19 o   39.077   0.9125  1485.66   68.972  1500.10   93.930  1468.78  101.603   39.286   1.2317   38.868   1.3466 0.4176102 1.824959 
1 1 1    0   35   20 o   62.486   0.8634  3829.49  102.731  3984.33  134.445  3612.25  159.251   64.029   1.0817   60.944   1.3461 3.084785 1.726877 
1 1 1    0   35   21 o   45.079   0.8925  1964.51   77.382  1893.96  101.943  2060.42  118.864   44.135   1.1899   46.023   1.3305 -1.888332 1.784960 
1 1 1    0   35   22 o  101.602   1.1107 10045.77  211.761 10004.56  267.004 10115.63  347.668  101.374   1.3568  101.831   1.7588 -0.4568710 2.221354 
1 1 1    0   35   23 o   54.889   0.9100  2933.54   94.622  2929.22  121.220  2940.28  151.382   54.859   1.1383   54.919   1.4200 -0.6037903E-01 1.819934 
1 1 1    0   35   24 o   30.439   1.1779  900.479   69.110  859.396   91.603  954.758  105.292   29.649   1.5916   31.229   1.7369 -1.580282 2.355824 
1 1 1    0   35   25 o   44.512   0.9304  1940.48   79.400  1971.47  104.865  1898.83  121.551   44.953   1.2017   44.072   1.4208 0.8810349 1.860870 
1 1 1    0   35   26 o   33.899   1.0658  1129.41   69.898  1143.94   95.412  1112.58  102.690   34.152   1.4392   33.647   1.5723 0.5051613 2.131505 
1 1 1    0   35   27 o   29.048   1.2458  833.705   70.185  809.423   96.840  860.571  101.863   28.608   1.7438   29.487   1.7796 -0.8786736 2.491542 
1 1 1    0   35   28 o   25.272   1.5185  642.099   73.707  767.576  106.631  527.287  101.999   27.701   1.9830   22.843   2.3003 4.858620 3.037000 
1 1 1    0   35   29 o   11.168   2.6586  128.295   71.237   70.610   98.607  191.266  103.026   9.3686   3.6897   12.967   3.8288 -3.598839 5.317257 
1 1 1    0   35   30 o   26.737   1.8305  777.104   90.277  623.141  141.546  882.676  117.210   24.050   3.0319   29.425   2.0521 -5.374380 3.661060 
1 1 1    0   36    0 o   64.071   3.0821  3943.46  147.364  3939.37  150.246  4046.93  755.942   63.703   1.2150   64.439   6.0433 -0.7359314 6.164248 
1 1 1    0   36    1 o   26.294   3.2823  625.109   50.112  622.127   50.671  757.923  338.194   25.314   1.0312   27.274   6.4831 -1.959236 6.564630 
1 1 1    0   36    2 o   61.198   0.7317  3647.43   82.839  3674.19  102.825  3597.95  139.835   61.521   0.8610   60.875   1.1833 0.6462440 1.463433 
1 1 1    0   36    3 o   30.611   0.7750  905.626   43.799  896.598   54.013  922.961   74.847   30.391   0.9156   30.831   1.2506 -0.4408913 1.549919 
1 1 1    0   36    4 o   57.684   0.7169  3254.03   76.563  3311.23   95.388  3150.45  128.365   58.404   0.8414   56.964   1.1609 1.439938 1.433705 
1 1 1    0   36    5 o   17.940   1.2682  323.651   41.673  350.919   52.352  276.489   68.850   19.010   1.4187   16.869   2.1025 2.140827 2.536415 
1 1 1    0   36    6 o   29.366   0.9446  834.559   53.741  880.969   79.115  794.798   73.229   30.121   1.3531   28.610   1.3185 1.510721 1.889288 
1 1 1    0   36    7 o   98.971   1.1207  9513.70  215.288  9536.57  302.587  9490.26  306.373   99.092   1.5731   98.850   1.5966 0.2418823 2.241390 
1 1 1    0   36    8 o   67.340   0.8825  4403.66  115.322  4411.29  161.084  4395.64  165.173   67.401   1.2312   67.280   1.2647 0.1205750 1.765016 
1 1 1    0   36    9 o   68.927   0.8957  4608.15  119.771  4436.88  165.915  4794.51  173.073   67.592   1.2645   70.263   1.2689 -2.671204 1.791431 
1 1 1    0   36   10 f   28.860   4.8053  864.925  263.659  932.479  349.796  776.054  401.210   30.226   6.1704   27.493   7.3681 2.733316 9.610554 
1 1 1    0   36   11 o  115.152   1.2727 12888.09  284.483 12863.02  400.404 12913.66  404.262  115.039   1.7930  115.264   1.8068 -0.2249832 2.545465 
1 1 1    0   36   12 f  144.501   1.4492 20308.40  406.465 20329.91  571.767 20286.42  577.940  144.580   2.0373  144.422   2.0615 0.1582184 2.898309 
1 1 1    0   36   13 o  116.365   1.0892 13172.07  239.407 13216.29  305.504 13101.68  385.390  116.635   1.3493  116.095   1.7101 0.5403214 2.178337 
1 1 1    0   36   14 o   44.514   0.7477  1899.76   62.937  1820.52   79.644  2031.51  102.701   43.297   0.9476   45.732   1.1569 -2.434181 1.495451 
1 1 1    0   36   15 o   75.852   0.8602  5522.20  121.623  5356.74  151.041  5827.31  205.112   74.264   1.0477   77.439   1.3645 -3.174454 1.720330 
1 1 1    0   36   16 o  120.453   1.1948 14171.78  272.703 14401.50  351.070 13822.30  433.016  121.717   1.4859  119.190   1.8715 2.526817 2.389658 
1 1 1    0   36   17 o   72.500   0.8701  5121.90  118.724  5166.23  150.810  5049.65  192.532   72.925   1.0653   72.076   1.3761 0.8489838 1.740280 
1 1 1    0   36   18 o  112.611   1.1503 12377.40  244.531 12508.03  312.316 12170.46  393.090  113.414   1.4186  111.807   1.8112 1.607124 2.300596 
1 1 1    0   36   19 o   44.252   0.8715  1903.47   74.445  1901.00  100.119  1906.52  111.333   44.224   1.1663   44.280   1.2952 -0.5667496E-01 1.742923 
1 1 1    0   36   20 o   60.412   0.8655  3554.82   99.950  3586.56  130.771  3510.23  154.998   60.746   1.1090   60.078   1.3291 0.6682358 1.730987 
1 1 1    0   36   21 o   41.850   0.9262  1721.95   74.257  1844.64   99.635  1568.65  111.373   43.554   1.1785   40.146   1.4291 3.408024 1.852362 
1 1 1    0   36   22 o   33.602   1.0869  1100.81   70.455  1100.71   94.534  1100.93  105.672   33.609   1.4490   33.595   1.6204 0.1345825E-01 2.173762 
1 1 1    0   36   23 o   34.390   1.1233  1172.72   73.772  1298.52   99.552  1019.51  109.868   36.490   1.4054   32.291   1.7528 4.199589 2.246659 
1 1 1    0   36   24 o   14.369   2.3723  216.126   64.747  224.959   87.003  205.161   96.933   14.737   3.1376   14.000   3.5590 0.7362070 4.744543 
1 1 1    0   36   25 o   40.609   1.0112  1601.27   78.982  1526.25  103.870  1704.11  121.611   39.507   1.3544   41.710   1.5020 -2.203007 2.022468 
1 1 1    0   36   26 o   8.7067   2.4763   41.411   65.108   68.900   90.375   11.751   93.878   9.3484   3.5729   8.0649   3.4296 1.283488 4.952508 
1 1 1    0   36   27 o   27.803   1.3555  771.998   72.760  824.466  100.324  713.777  105.681   28.845   1.7917   26.760   2.0344 2.085272 2.710929 
1 1 1    0   36   28 o   19.066   1.9047  374.533   70.402  393.514   99.198  355.270   99.933   19.587   2.6089   18.545   2.7759 1.041807 3.809482 
1 1 1    0   36   29 o   12.143   2.6408  163.290   72.714   89.240  103.313  235.978  102.359   9.8973   3.8109   14.390   3.6569 -4.492174 5.281676 
1 1 1    0   37    1 o   49.209   2.5804  2491.29   79.011  2499.12   80.144  2220.09  471.672   50.739   0.8137   47.678   5.0963 3.060604 5.160835 
1 1 1    0   37    2 o   93.480   0.9406  8375.65  162.046  8147.56  198.635  8829.47  280.191   91.608   1.1170   95.352   1.5138 -3.744644 1.881274 
1 1 1    0   37    3 o  165.124   1.3514 26529.10  420.560 26665.27  534.957 26308.75  680.487  165.697   1.6632  164.551   2.1304 1.145782 2.702708 
1 1 1    0   37    4 o   61.677   0.7424  3722.52   84.707  3792.75  105.460  3594.83  142.199   62.506   0.8692   60.848   1.2039 1.657761 1.484850 
1 1 1    0   37    5 o   95.485   0.9774  8895.37  173.178  8998.50  215.982  8709.71  289.802   96.271   1.1557   94.700   1.5765 1.570999 1.954734 
1 1 1    0   37    6 o   80.165   0.9974  6240.05  155.200  6172.94  217.848  6309.22  221.161   79.728   1.4076   80.603   1.4135 -0.8751221 1.994817 
1 1 1    0   37    7 o   56.105   0.8289  3048.54   90.152  3218.92  131.707  2898.33  123.660   57.576   1.1784   54.634   1.1660 2.942059 1.657793 
1 1 1    0   37    8 o  123.660   1.2708 14860.15  305.055 14866.80  431.023 14853.48  431.803  123.688   1.7952  123.632   1.7992 0.5575562E-01 2.541633 
1 1 1    0   37    9 o   39.940   0.8296  1550.53   64.247  1512.68   92.317  1586.09   89.468   39.466   1.2050   40.414   1.1404 -0.9476738 1.659117 
1 1 1    0   37   10 o   84.562   1.0257  6946.84  168.365  7045.59  238.547  6848.81  237.665   85.161   1.4430   83.963   1.4582 1.198479 2.051471 
1 1 1    0   37   11 o   65.776   0.9054  4199.13  115.553  4333.51  166.289  4073.65  160.687   66.793   1.2825   64.759   1.2782 2.033424 1.810748 
1 1 1    0   37   12 o  111.905   1.2482 12174.10  271.118 12407.00  383.779 11942.08  383.059  112.975   1.7500  110.835   1.7804 2.139908 2.496464 
1 1 1    0   37   13 o   89.043   0.9522  7636.52  156.589  7490.07  192.768  7920.62  268.490   87.813   1.1309   90.273   1.5322 -2.459641 1.904312 
1 1 1    0   37   14 o  107.942   1.0564 11304.51  213.156 11250.59  267.227 11398.83  353.426  107.609   1.2793  108.275   1.6815 -0.6664810 2.112839 
1 1 1    0   37   15 o   86.126   0.9448  7211.26  152.104  7219.73  190.959  7196.57  251.575   86.209   1.1411   86.043   1.5062 0.1663971 1.889660 
1 1 1    0   37   16 o   51.477   0.7805  2559.92   75.602  2517.15   95.417  2632.08  123.920   50.908   0.9656   52.046   1.2266 -1.138119 1.561009 
1 1 1    0   37   17 o   77.775   0.9035  5882.06  132.002  5890.00  166.915  5868.79  215.679   77.859   1.1044   77.690   1.4301 0.1684265 1.806917 
1 1 1    0   37   18 o   29.249   1.0723  834.552   60.492  855.273   81.635  809.321   90.083   29.657   1.4180   28.842   1.6090 0.8154469 2.144696 
1 1 1    0   37   19 o   78.802   0.9472  6038.27  140.723  6034.94  178.829  6043.70  228.053   78.793   1.1692   78.812   1.4907 -0.1934052E-01 1.894484 
1 1 1    0   37   20 o   48.398   0.8781  2280.73   82.020  2305.53  110.532  2250.33  122.353   48.697   1.1693   48.100   1.3104 0.5969200 1.756256 
1 1 1    0   37   21 o   42.497   0.9257  1729.12   75.560  1571.96   98.522  1953.60  117.744   40.194   1.2627   44.800   1.3539 -4.605999 1.851369 
1 1 1    0   37   22 o   22.526   1.5558  500.571   67.466  526.373   91.260  469.477  100.184   23.187   2.0275   21.865   2.3604 1.322447 3.111664 
1 1 1    0   37   23 o   22.152   1.5808  485.526   67.228  504.502   89.799  461.326  101.406   22.672   2.0404   21.632   2.4149 1.039959 3.161514 
1 1 1    0   37   24 o   21.803   1.6175  488.531   65.612  579.464   87.311  370.560   99.449   24.294   1.8514   19.312   2.6529 4.982433 3.235025 
1 1 1    0   37   25 o   13.395   2.0599  169.609   61.920   15.735   83.148  361.189   92.778   7.7802   3.2637   19.010   2.5142 -11.22966 4.119810 
1 1 1    0   37   26 f   27.401   1.3184  745.075   69.923  814.945   99.471  676.826   98.310   28.696   1.7857   26.106   1.9400 2.589857 2.636714 
1 1 1    0   37   27 o   49.439   0.9606  2401.95   91.826  2383.57  124.253  2424.06  136.307   49.259   1.2994   49.620   1.4151 -0.3613434 1.921240 
1 1 1    0   37   28 f   8.5152   2.4953   35.348   68.307   59.366   92.714   6.8336  101.021   8.9698   3.5634   8.0606   3.4940 0.9091940 4.990533 
1 1 1    0   37   29 o   11.376   2.8892  139.990   80.304  159.233  124.734  126.367  104.946   11.894   4.2593   10.859   3.9050 1.034385 5.778485 
1 1 1    0   38    0 f   81.904   2.5632  6352.70  212.251  6324.43  220.240  6721.32  795.214   80.713   1.4057   83.095   4.9300 -2.382423 5.126451 
1 1 1    0   38    1 o   35.768   3.5280  1414.12   61.277  1419.81   61.884  1128.65  438.489   38.244   0.8336   33.293   7.0067 4.950993 7.056083 
1 1 1    0   38    2 o   49.193   2.4029  2300.08   74.339  2296.97   75.340  2414.81  457.593   48.644   0.7979   49.742   4.7390 -1.098591 4.805726 
1 1 1    0   38    3 f   62.689   0.7487  3784.02   86.118  3721.18  105.321  3910.79  149.589   61.913   0.8763   63.465   1.2142 -1.551964 1.497443 
1 1 1    0   38    4 o  121.441   1.1268 14331.85  254.675 14351.38  317.958 14296.89  425.378  121.568   1.3474  121.313   1.8063 0.2552261 2.253504 
1 1 1    0   38    5 o  134.576   1.1933 17643.41  301.425 17792.70  381.367 17394.91  492.030  135.352   1.4515  133.800   1.8944 1.551620 2.386531 
1 1 1    0   38    6 o   75.567   0.9529  5546.03  139.706  5785.59  198.597  5311.34  196.568   77.184   1.3255   73.951   1.3693 3.232475 1.905779 
1 1 1    0   38    7 o   91.777   1.0723  8182.69  190.934  8184.68  265.678  8180.56  274.584   91.790   1.4911   91.764   1.5415 0.2577972E-01 2.144623 
1 1 1    0   38    8 o  127.041   1.3178 15661.46  324.622 15163.43  446.311 16220.90  473.024  124.903   1.8408  129.180   1.8864 -4.277229 2.635672 
1 1 1    0   38    9 o  130.660   1.3503 16598.18  342.428 16720.63  481.346 16472.71  487.239  131.150   1.8907  130.170   1.9283 0.9800110 2.700547 
1 1 1    0   38   10 o  112.272   1.2759 12253.55  277.757 12254.28  383.872 12252.75  402.398  112.280   1.7612  112.264   1.8465 0.1534271E-01 2.551774 
1 1 1    0   38   11 o  151.123   1.4893 22226.28  436.410 22467.94  604.773 21963.72  630.376  151.990   2.0498  150.257   2.1612 1.732498 2.978693 
1 1 1    0   38   12 o   61.650   0.8729  3692.29  104.465  3706.89  147.408  3677.56  148.066   61.773   1.2293   61.527   1.2397 0.2452850 1.745883 
1 1 1    0   38   13 o   51.362   0.7605  2551.49   73.360  2520.32   92.425  2604.57  120.605   50.944   0.9346   51.780   1.1999 -0.8355293 1.520925 
1 1 1    0   38   14 o   72.873   0.8472  5122.12  115.357  5025.79  144.049  5294.35  192.611   71.934   1.0316   73.813   1.3443 -1.879059 1.694472 
1 1 1    0   38   15 o   42.095   0.8129  1749.46   64.703  1863.82   84.225  1584.79  101.066   43.806   0.9905   40.384   1.2892 3.421822 1.625782 
1 1 1    0   38   16 o   6.3647   1.9778 -38.2217   48.146 -78.2742   62.531   20.091   75.451   5.0043   2.3766   7.7251   3.1620 -2.720824 3.955590 
1 1 1    0   38   17 o   57.530   0.8148  3230.72   88.660  3282.17  113.762  3151.14  141.494   58.124   1.0083   56.935   1.2802 1.188656 1.629606 
1 1 1    0   38   18 o   64.103   0.8464  4017.75  102.210  4093.92  130.397  3896.37  164.599   64.908   1.0349   63.298   1.3396 1.610260 1.692790 
1 1 1    0   38   19 f   26.255   1.2129  674.768   61.491  721.022   84.756  623.365   89.349   27.216   1.6043   25.295   1.8196 1.920712 2.425872 
1 1 1    0   38   20 o   22.961   1.4099  514.016   62.594  454.350   86.936  578.244   90.198   21.574   2.0759   24.349   1.9083 -2.775154 2.819793 
1 1 1    0   38   21 o   22.454   1.5136  510.522   63.680  600.104   85.176  396.991   95.888   24.794   1.7697   20.113   2.4559 4.681044 3.027120 
1 1 1    0   38   22 o   42.266   0.9463  1751.49   76.856  1825.03  102.989  1659.07  115.458   43.287   1.2256   41.245   1.4421 2.042587 1.892567 
1 1 1    0   38   23 o   37.579   1.0204  1372.63   73.303  1342.44   95.220  1416.56  114.849   37.093   1.3224   38.065   1.5543 -0.9722176 2.040748 
1 1 1    0   38   24 o   10.410   2.4873  100.319   63.098  148.443   85.480   42.703   93.532   11.958   3.4753   8.8628   3.5594 3.095102 4.974633 
1 1 1    0   38   25 o   14.210   2.2689  213.989   61.303  181.679   85.969  247.415   87.441   13.058   3.3691   15.362   3.0399 -2.303838 4.537826 
1 1 1    0   38   26 o   14.508   2.3372  225.568   64.393  207.786   89.805  244.384   92.380   13.890   3.3659   15.126   3.2435 -1.236193 4.674381 
1 1 1    0   38   27 o   9.4499   2.5634   70.999   67.241  104.990   95.005   36.881   95.181   10.346   3.7160   8.5543   3.5321 1.791359 5.126778 
1 1 1    0   38   28 o   6.7980   2.2303 -65.9332   70.649 -46.0190   97.278 -88.1612  102.773   6.9830   3.1953   6.6131   3.1123 0.3698773 4.460556 
1 1 1    0   38   29 o   9.9946   2.6970   76.648   85.205 -86.1155  139.039  174.532  107.824   7.7884   3.6509   12.201   3.9707 -4.412476 5.393992 
1 1 1    0   39    1 o   43.300   2.7482  2053.57   72.129  2066.83   73.181  1602.35  426.863   46.142   0.8170   40.458   5.4353 5.683659 5.496322 
1 1 1    0   39    2 o  140.879   1.8959 19577.19  388.507 19719.32  427.003 18893.85  936.289  142.486   1.5438  139.272   3.4632 3.214371 3.791737 
1 1 1    0   39    3 o  198.373   1.5112 38204.90  567.719 38045.60  726.324 38455.06  910.189  197.873   1.8909  198.872   2.3577 -0.9990692 3.022333 
1 1 1    0   39    4 o   96.915   0.9884  9093.21  176.900  9028.29  218.355  9217.20  301.764   96.424   1.1666   97.407   1.5959 -0.9837189 1.976833 
1 1 1    0   39    5 o   50.918   0.7236  2553.91   68.145  2644.44   85.221  2393.38  113.482   52.191   0.8412   49.645   1.1776 2.545597 1.447156 
1 1 1    0   39    6 o  156.529   1.3501 23846.55  398.089 23943.71  505.799 23688.39  645.315  156.977   1.6599  156.081   2.1299 0.8954773 2.700296 
1 1 1    0   39    7 o   79.673   0.9788  6165.69  151.340  6150.63  211.444  6181.51  216.706   79.574   1.3689   79.772   1.3994 -0.1981049 1.957613 
1 1 1    0   39    8 o   99.951   1.1196  9702.65  217.159  9549.06  302.307  9866.39  312.146   99.135   1.5709  100.767   1.5958 -1.631973 2.239284 
1 1 1    0   39    9 o   89.539   1.0807  7789.96  187.833  7828.38  267.104  7752.37  264.191   89.758   1.5330   89.321   1.5237 0.4362030 2.161423 
1 1 1    0   39   10 o   66.689   0.9032  4321.13  116.897  4405.55  164.734  4235.51  165.906   67.346   1.2601   66.032   1.2943 1.313881 1.806409 
1 1 1    0   39   11 o   22.335   1.2145  484.158   52.472  475.249   70.997  494.883   77.895   22.111   1.6541   22.560   1.7787 -0.4493618 2.428978 
1 1 1    0   39   12 o   78.829   1.0020  6036.75  153.301  6145.33  219.199  5932.79  214.479   79.522   1.4200   78.135   1.4141 1.386864 2.003990 
1 1 1    0   39   13 o   18.597   1.3670  330.687   48.692  303.290   62.979  371.401   76.774   17.658   1.8373   19.536   2.0245 -1.877914 2.733924 
1 1 1    0   39   14 o   30.489   0.9188  910.649   53.433  946.727   70.179  860.884   82.422   31.217   1.1581   29.761   1.4267 1.456102 1.837567 
1 1 1    0   39   15 o   82.089   0.9194  6547.06  141.016  6542.05  176.867  6555.81  233.634   82.060   1.1103   82.118   1.4657 -0.5744934E-01 1.838740 
1 1 1    0   39   16 o   79.086   0.9145  6097.60  135.453  6148.21  170.843  6011.94  222.269   79.545   1.1064   78.627   1.4563 0.9185867 1.828903 
1 1 1    0   39   17 o   41.369   0.8765  1665.67   69.462  1677.08   91.310  1649.99  107.017   41.543   1.1323   41.196   1.3382 0.3469276 1.752987 
1 1 1    0   39   18 o   22.860   1.3403  506.285   58.809  408.623   80.031  620.914   86.705   20.472   2.0139   25.249   1.7690 -4.776684 2.680531 
1 1 1    0   39   19 o   51.607   0.8534  2586.20   84.653  2565.24  111.936  2614.20  129.387   51.370   1.1225   51.845   1.2856 -0.4752846 1.706739 
1 1 1    0   39   20 o   22.547   1.5035  505.843   64.608  577.255   88.014  422.396   95.142   24.322   1.8641   20.772   2.3595 3.549978 3.007038 
1 1 1    0   39   21 o   18.760   1.9714  376.200   64.896  504.549   88.447  226.530   95.512   22.705   2.0068   14.816   3.3938 7.888947 3.942755 
1 1 1    0   39   22 o   30.734   1.1559  921.580   68.267  911.993   90.155  934.466  104.517   30.562   1.5197   30.907   1.7421 -0.3452549 2.311759 
1 1 1    0   39   23 o   53.745   0.8859  2802.45   90.909  2735.20  117.705  2901.88  143.120   52.973   1.1447   54.517   1.3524 -1.544308 1.771783 
1 1 1    0   39   24 o   36.948   0.9993  1335.96   71.614  1320.81   99.013  1352.58  103.705   36.734   1.3885   37.162   1.4376 -0.4280014 1.998660 
1 1 1    0   39   25 o   8.6536   2.2134 -12.8193   64.044 -175.5630   89.704  156.379   91.465   5.1974   2.5548   12.110   3.6152 -6.912375 4.426829 
1 1 1    0   39   26 o   18.857   1.9832  372.238   69.080  458.288   97.598  285.851   97.789   21.337   2.3564   16.378   3.1905 4.958706 3.966375 
1 1 1    0   39   27 o   36.432   1.1258  1311.02   79.393  1255.69  107.546  1377.28  117.698   35.607   1.5559   37.256   1.6274 -1.649147 2.251547 
1 1 1    0   39   28 o   9.9310   2.5589   79.473   72.866  169.712   99.207 -26.2297  107.371   12.222   3.7889   7.6399   3.4404 4.582119 5.117850 
1 1 1    0   39   29 o   7.1490   2.3622 -77.5573   82.363 -149.6212  129.992 -29.2248  106.458   6.8345   3.2936   7.4635   3.3871 -0.6290059 4.724452 
1 1 1    0   40    0 o   53.537   3.5455  3058.74  129.043  3078.22  131.370  2523.32  688.684   56.309   1.2019   50.766   6.9885 5.542961 7.091091 
1 1 1    0   40    1 o   75.960   2.1277  5942.44  147.947  5988.40  152.845  5259.51  589.150   78.534   1.0026   73.386   4.1357 5.148506 4.255499 
1 1 1    0   40    2 o   63.770   2.6577  4298.75  117.048  4323.81  119.206  3625.37  617.936   66.734   0.9202   60.806   5.2352 5.928181 5.315464 
1 1 1    0   40    3 o   17.479   1.3069  292.487   42.518  281.920   52.632  312.337   72.135   17.035   1.5917   17.924   2.0733 -0.8892727 2.613770 
1 1 1    0   40    4 o   17.392   1.3010  289.785   42.138  279.685   52.208  308.661   71.371   16.967   1.5852   17.818   2.0635 -0.8509426 2.602098 
1 1 1    0   40    5 o   61.492   0.7728  3651.74   86.918  3612.47  106.116  3731.79  151.510   60.997   0.8962   61.986   1.2592 -0.9889297 1.545528 
1 1 1    0   40    6 o   29.944   0.8343  876.491   46.545  891.592   58.426  850.258   77.005   30.302   0.9933   29.586   1.3408 0.7159004 1.668628 
1 1 1    0   40    7 f   88.559   1.0554  7618.34  181.413  7809.68  258.362  7432.27  254.787   89.656   1.4845   87.462   1.5007 2.194199 2.110893 
1 1 1    0   40    8 o   52.401   0.8347  2659.61   84.782  2861.64  123.432  2479.16  116.655   54.281   1.1714   50.522   1.1895 3.758049 1.669462 
1 1 1    0   40    9 o   65.605   0.9070  4175.80  115.440  4019.93  160.025  4344.94  166.695   64.330   1.2815   66.880   1.2840 -2.549904 1.814046 
1 1 1    0   40   10 o   65.483   0.8832  4166.29  112.248  4219.50  158.075  4112.17  159.420   65.906   1.2356   65.061   1.2623 0.8448486 1.766362 
1 1 1    0   40   11 o   27.499   5.5434  497.666  382.235 -223.3398  495.352  1558.83  600.947   16.395   7.3857   38.603   8.2686 -22.20835 11.08686 
1 1 1    0   40   12 f   65.798   0.9165  4205.47  117.015  4366.99  166.813  4049.00  164.185   67.042   1.2818   64.554   1.3102 2.488480 1.832949 
1 1 1    0   40   13 o   72.073   0.8554  5042.23  114.460  5031.15  142.333  5062.52  192.566   71.972   1.0188   72.175   1.3744 -0.2031097 1.710851 
1 1 1    0   40   14 o   87.377   0.9595  7477.01  157.659  7658.21  200.881  7186.36  254.409   88.782   1.1656   85.973   1.5244 2.809486 1.918983 
1 1 1    0   40   15 o   34.686   0.8894  1165.71   58.380  1153.39   74.475  1185.36   94.024   34.454   1.1135   34.918   1.3871 -0.4640808 1.778794 
1 1 1    0   40   16 o   63.835   0.8362  3988.93  100.863  4091.90  129.572  3830.57  160.681   64.898   1.0285   62.772   1.3187 2.126270 1.672341 
1 1 1    0   40   17 o  130.502   1.3644 16641.71  333.524 16765.33  420.674 16432.51  547.264  131.229   1.6514  129.776   2.1724 1.452896 2.728812 
1 1 1    0   40   18 o   41.764   0.8758  1678.96   70.007  1600.31   90.771  1794.42  109.980   40.574   1.1525   42.955   1.3190 -2.380222 1.751544 
1 1 1    0   40   19 o   10.520   2.2989   82.615   61.455 -21.9271   85.073  196.699   88.871   7.1809   3.1575   13.859   3.3422 -6.677988 4.597868 
1 1 1    0   40   20 o   65.273   0.9016  4166.73  111.914  4247.10  145.184  4049.05  175.682   66.073   1.1320   64.473   1.4037 1.599411 1.803274 
1 1 1    0   40   21 o   16.931   2.0162  286.957   64.167  283.174   84.912  291.992   97.974   16.952   2.5803   16.910   3.0989 0.4190636E-01 4.032499 
1 1 1    0   40   22 o   36.798   1.0118  1322.12   72.047  1321.06   98.075  1323.35  106.189   36.791   1.3732   36.806   1.4863 -0.1450348E-01 2.023568 
1 1 1    0   40   23 o   38.572   0.9875  1456.67   73.618  1483.56  100.104  1425.00  108.643   38.974   1.3232   38.169   1.4663 0.8041763 1.975042 
1 1 1    0   40   24 f   49.896   0.8854  2432.15   84.957  2412.38  112.525  2458.34  129.563   49.686   1.1667   50.106   1.3321 -0.4197540 1.770749 
1 1 1    0   40   25 o   18.730   1.8030  354.201   65.268  352.996   88.269  355.655   96.946   18.729   2.4278   18.732   2.6662 -0.2111435E-02 3.605962 
1 1 1    0   40   26 o   14.032   2.2339  218.801   66.719  353.252   91.968   69.430   96.937   18.638   2.5420   9.4264   3.6741 9.211312 4.467793 
1 1 1    0   40   27 o   12.789   2.6052  177.674   70.153  119.423   94.562  248.976  104.620   10.694   3.7191   14.884   3.6491 -4.190414 5.210320 
1 1 1    0   40   28 o   12.644   3.0185  179.464   86.076  233.731  140.080  146.544  109.104   13.837   4.5269   11.452   3.9941 2.384954 6.037041 
1 1 1    0   41    1 o   63.467   2.6274  4402.98  118.411  4442.19  120.824  3450.56  595.491   67.640   0.9202   59.294   5.1736 8.345734 5.254843 
1 1 1    0   41    2 o  157.441   1.9101 24533.01  462.999 24797.83  517.716 23475.11  1034.77  159.747   1.6695  155.134   3.4361 4.613281 3.820247 
1 1 1    0   41    3 o   66.358   0.7860  4283.16   95.959  4298.32  118.270  4253.94  164.157   66.536   0.9157   66.180   1.2778 0.3556213 1.572038 
1 1 1    0   41    4 o  109.778   1.0818 11721.21  219.708 11750.59  272.422 11666.52  371.606  109.992   1.2759  109.564   1.7472 0.4278793 2.163502 
1 1 1    0   41    5 o   79.817   0.8765  6146.98  128.071  6067.22  156.399  6309.31  223.130   79.045   1.0193   80.589   1.4263 -1.543587 1.753090 
1 1 1    0   41    6 o   88.338   0.9387  7546.01  152.450  7474.23  187.154  7687.57  262.814   87.728   1.0990   88.948   1.5221 -1.219650 1.877394 
1 1 1    0   41    7 o   33.557   0.8848  1093.47   57.626  1065.90   80.741  1122.10   82.272   33.126   1.2556   33.988   1.2470 -0.8621597 1.769598 
1 1 1    0   41    8 o   19.203   1.4066  358.689   52.360  357.689   76.027  359.592   72.215   19.177   2.0423   19.230   1.9346 -0.5300903E-01 2.813116 
1 1 1    0   41    9 o  107.152   1.2054 11164.02  250.609 11214.11  349.775 11111.18  359.244  107.402   1.6777  106.902   1.7312 0.4996490 2.410715 
1 1 1    0   41   10 o   36.506   0.8860  1294.17   62.756  1350.76   89.672  1239.84   87.856   37.288   1.2389   35.723   1.2669 1.564598 1.771972 
1 1 1    0   41   11 o   86.993   1.0720  7356.34  181.007  7480.16  255.983  7232.53  255.981   87.726   1.5032   86.260   1.5287 1.466400 2.143984 
1 1 1    0   41   12 o   69.983   0.9434  4760.44  128.095  4798.65  178.734  4720.10  183.674   70.273   1.3102   69.693   1.3577 0.5804520 1.886794 
1 1 1    0   41   13 f  124.117   1.2526 14925.27  287.721 14786.12  355.869 15187.93  488.913  123.327   1.4865  124.907   2.0164 -1.579971 2.505113 
1 1 1    0   41   14 o   42.644   5.4912  2868.73  103.531  2900.25  104.362  912.971  821.960   54.643   0.9839   30.646   10.938 23.99640 10.98241 
1 1 1    0   41   15 o   16.523   1.7213  264.737   53.927  258.715   68.856  274.290   86.727   16.290   2.1774   16.755   2.6665 -0.4646950 3.442601 
1 1 1    0   41   16 o   24.928   1.2387  623.832   57.378  683.233   73.550  531.471   91.712   26.504   1.4296   23.352   2.0232 3.152538 2.477306 
1 1 1    0   41   17 o   45.241   0.8385  1990.69   71.839  1994.21   92.036  1985.20  114.927   45.300   1.0466   45.182   1.3103 0.1180305 1.677027 
1 1 1    0   41   18 o   11.231   2.4466  119.386   59.061   87.758   78.486  160.678   89.679   9.8712   3.3907   12.590   3.5280 -2.719113 4.893261 
1 1 1    0   41   19 o   18.764   1.6631  348.994   59.779  383.709   81.100  307.693   88.458   19.814   2.1085   17.713   2.5726 2.100786 3.326275 
1 1 1    0   41   20 o   21.860   1.5449  477.135   64.300  553.437   88.143  390.342   94.008   23.789   1.9088   19.932   2.4297 3.856939 3.089774 
1 1 1    0   41   21 o   8.3960   2.3963   27.238   62.497   66.380   84.005 -21.2823   93.528   9.2665   3.4663   7.5255   3.3098 1.741077 4.792671 
1 1 1    0   41   22 o   38.892   0.9837  1482.34   73.961  1551.47  101.700  1404.74  107.755   39.871   1.3140   37.913   1.4641 1.957417 1.967307 
1 1 1    0   41   23 o   33.208   1.0513  1082.83   67.559  1174.65   95.224  989.761   95.865   34.643   1.4160   31.773   1.5543 2.870260 2.102597 
1 1 1    0   41   24 o   6.5336   2.1217 -54.7086   61.404 -56.4991   86.461 -52.8864   87.222   6.4872   2.9846   6.5801   3.0164 -0.9283066E-01 4.243414 
1 1 1    0   41   25 o   27.118   1.3325  733.430   69.733  812.699   97.802  651.460   99.454   28.655   1.7583   25.582   2.0028 3.073179 2.665059 
1 1 1    0   41   26 o   11.044   2.6643  127.849   68.690  138.503   95.169  116.264   99.243   11.366   3.7319   10.722   3.8036 0.6433287 5.328639 
1 1 1    0   41   27 o   7.8090   2.4000  -5.7373   69.201 -50.4819   95.118   44.577  100.865   6.8210   3.1353   8.7970   3.6344 -1.975992 4.799959 
1 1 1    0   41   28 o   18.166   2.4625  359.275   84.059  519.189  130.478  245.812  109.907   21.924   3.0659   14.408   3.8543 7.515400 4.924975 
1 1 1    0   42    0 o   50.771   4.7233  2583.14  116.079  2583.82  117.112  2545.06  875.596   51.588   1.1695   49.953   9.3740 1.634548 9.446692 
1 1 1    0   42    1 o   60.520   2.6362  3747.57  104.784  3758.81  106.456  3398.22  593.536   62.220   0.8814   58.820   5.1983 3.400696 5.272471 
1 1 1    0   42    2 f   71.977   2.2859  5059.75  131.043  5060.51  134.044  5043.33  622.778   72.192   0.9565   71.762   4.4707 0.4302139 4.571864 
1 1 1    0   42    3 o   45.535   0.7309  2037.72   60.798  2087.60   74.804  1940.66  104.359   46.370   0.8310   44.700   1.2027 1.669548 1.461879 
1 1 1    0   42    4 o   64.187   0.7800  3985.55   91.510  3955.32  111.735  4047.14  159.482   63.825   0.9019   64.549   1.2728 -0.7240601 1.559919 
1 1 1    0   42    5 o  108.134   1.0905 11375.74  217.403 11405.49  268.524 11319.14  370.396  108.359   1.2766  107.909   1.7683 0.4505844 2.180918 
1 1 1    0   42    6 o  103.797   1.0560 10529.46  203.041 10676.85  252.865 10261.95  340.658  104.843   1.2425  102.751   1.7079 2.091919 2.112037 
1 1 1    0   42    7 o   28.835   1.0084  807.726   56.440  821.268   80.375  794.553   79.273   29.073   1.4242   28.596   1.4281 0.4768505 2.016837 
1 1 1    0   42    8 o   61.646   0.8796  3694.42  105.150  3758.42  146.230  3625.89  151.310   62.201   1.2111   61.091   1.2759 1.109489 1.759176 
1 1 1    0   42    9 o   60.941   0.8810  3607.42  104.165  3590.44  144.864  3625.59  149.888   60.793   1.2275   61.089   1.2640 -0.2951431 1.761968 
1 1 1    0   42   10 o   20.433   1.3716  410.253   53.654  485.635   75.615  333.812   76.145   22.347   1.7431   18.519   2.1181 3.828020 2.743166 
1 1 1    0   42   11 o   14.178   1.9551  203.482   52.367  115.867   72.433  299.429   75.798   10.820   3.2142   17.535   2.2268 -6.715301 3.910233 
1 1 1    0   42   12 o   55.190   0.8775  2957.85   93.983  2884.81  130.967  3035.40  134.947   54.488   1.2382   55.892   1.2438 -1.403809 1.755052 
1 1 1    0   42   13 o   40.665   0.8250  1588.52   62.353  1545.59   77.201  1669.07  105.752   39.890   0.9970   41.441   1.3146 -1.550915 1.649913 
1 1 1    0   42   14 o   89.188   0.9932  7762.56  164.833  7834.16  206.169  7635.73  274.417   89.784   1.1829   88.593   1.5957 1.191147 1.986341 
1 1 1    0   42   15 o   55.876   0.8259  3046.80   86.817  3086.26  110.344  2982.67  140.656   56.363   1.0085   55.390   1.3082 0.9721184 1.651791 
1 1 1    0   42   16 o   47.952   0.8180  2209.02   73.962  2130.01   93.261  2342.93  121.420   46.818   1.0262   49.087   1.2743 -2.268402 1.636093 
1 1 1    0   42   17 o   31.640   1.0292  974.068   61.884  973.927   79.767  974.283   98.079   31.645   1.2985   31.635   1.5972 0.1054764E-01 2.058419 
1 1 1    0   42   18 o   15.109   2.0907  236.917   58.468  269.509   76.115  190.005   91.317   16.599   2.3622   13.619   3.4502 2.980408 4.181408 
1 1 1    0   42   19 o   28.701   1.1454  802.272   62.849  796.599   81.915  810.390   97.992   28.590   1.4760   28.813   1.7520 -0.2224674 2.290890 
1 1 1    0   42   20 o   14.582   2.2365  218.608   61.186  216.701   82.042  220.998   91.846   14.536   3.0068   14.627   3.3117 -0.9172058E-01 4.473071 
1 1 1    0   42   21 o   24.167   1.4022  572.588   65.670  560.343   89.927  586.579   96.124   23.896   1.9386   24.437   2.0264 -0.5407352 2.804342 
1 1 1    0   42   22 o   53.887   0.8832  2847.29   91.662  2955.41  123.590  2715.12  136.652   55.051   1.1565   52.724   1.3352 2.326805 1.766436 
1 1 1    0   42   23 o   16.545   1.9884  280.713   61.914  325.593   88.387  237.473   86.757   18.037   2.5243   15.053   3.0729 2.983981 3.976819 
1 1 1    0   42   24 o   8.4988   2.4442   38.802   63.229   37.914   90.907   39.634   88.003   8.5262   3.4782   8.4714   3.4348 0.5477142E-01 4.888327 
1 1 1    0   42   25 o   9.5152   2.6031   71.860   68.344   63.982   93.885   80.741   99.680   9.2226   3.6100   9.8078   3.7514 -0.5852251 5.206239 
1 1 1    0   42   26 o   9.9825   2.6171   91.754   69.465  127.542   93.685   48.050  103.527   10.959   3.7052   9.0058   3.6971 1.953369 5.234251 
1 1 1    0   42   27 o   23.396   1.7128  573.155   76.188  667.830  104.839  467.195  110.911   25.644   2.1061   21.149   2.7016 4.495260 3.425539 
1 1 1    0   43    1 o   54.877   3.6355  3768.93  108.070  3811.99  109.551  2207.82  659.621   62.657   0.9007   47.097   7.2150 15.56011 7.270953 
1 1 1    0   43    2 f   87.858   2.3553  8190.14  196.167  8295.18  203.461  6803.40  739.276   92.418   1.1341   83.297   4.5721 9.121536 4.710635 
1 1 1    0   43    3 o   47.876   3.8305  3010.00   92.974  3048.52   94.257  1623.21  565.520   56.033   0.8666   39.718   7.6119 16.31506 7.661085 
1 1 1    0   43    4 o  116.301   1.1163 13184.63  241.531 13287.38  301.876 13001.83  402.641  116.953   1.3297  115.649   1.7935 1.304817 2.232684 
1 1 1    0   43    5 o   56.982   0.7639  3175.94   80.251  3227.34   99.469  3080.10  135.826   57.652   0.8888   56.311   1.2426 1.341473 1.527745 
1 1 1    0   43    6 o  111.579   1.1213 12101.80  230.720 12103.38  284.847 12098.77  393.410  111.615   1.3147  111.544   1.8169 0.7128906E-01 2.242683 
1 1 1    0   43    7 o   82.212   0.8967  6516.58  135.123  6417.71  165.137  6716.90  235.050   81.288   1.0465   83.136   1.4565 -1.847366 1.793483 
1 1 1    0   43    8 f   66.017   0.9127  4235.45  116.930  4309.20  164.584  4160.28  166.155   66.599   1.2731   65.436   1.3081 1.162666 1.825327 
1 1 1    0   43    9 o   69.462   0.9448  4690.07  127.350  4782.28  178.905  4595.35  181.320   70.156   1.3137   68.768   1.3583 1.387390 1.889645 
1 1 1    0   43   10 o   74.713   0.9929  5425.31  143.985  5492.24  203.426  5358.11  203.826   75.175   1.3940   74.250   1.4142 0.9250717 1.985727 
1 1 1    0   43   11 o   51.755   0.8645  2602.62   86.851  2607.33  122.504  2597.85  123.150   51.802   1.2183   51.708   1.2269 0.9466934E-01 1.729007 
1 1 1    0   43   12 o   57.196   0.8950  3176.61   99.325  3263.24  143.161  3096.21  137.918   57.947   1.2727   56.446   1.2587 1.501705 1.790004 
1 1 1    0   43   13 o   30.005   0.9777  885.607   55.940  939.742   73.937  813.128   85.551   31.095   1.2249   28.914   1.5242 2.181210 1.955420 
1 1 1    0   43   14 o   61.802   0.8378  3693.29   96.676  3644.76  120.780  3779.82  161.281   61.251   1.0158   62.354   1.3325 -1.103111 1.675517 
1 1 1    0   43   15 o   39.920   0.8961  1563.65   67.320  1610.32   86.008  1489.83  108.167   40.705   1.0885   39.134   1.4239 1.570793 1.792263 
1 1 1    0   43   16 o   53.932   0.8272  2796.09   84.140  2700.43  106.176  2957.58  137.951   52.715   1.0376   55.149   1.2886 -2.434559 1.654414 
1 1 1    0   43   17 o   47.151   0.8629  2179.41   77.485  2259.55  101.343  2066.65  120.219   48.213   1.0829   46.090   1.3437 2.122963 1.725718 
1 1 1    0   43   18 o   23.888   1.3147  553.597   60.738  518.705   81.692  596.727   90.824   23.054   1.8254   24.722   1.8926 -1.668074 2.629453 
1 1 1    0   43   19 f   18.274   1.7467  326.908   61.699  313.833   82.897  343.148   92.385   17.874   2.3892   18.675   2.5485 -0.8007565 3.493308 
1 1 1    0   43   20 o   18.785   1.7446  353.337   62.457  386.379   83.495  311.359   94.110   19.831   2.1690   17.738   2.7331 2.092173 3.489166 
1 1 1    0   43   21 o   42.359   0.9317  1758.31   76.115  1823.80  103.146  1680.00  112.784   43.243   1.2288   41.474   1.4009 1.769684 1.863440 
1 1 1    0   43   22 o   54.554   0.8950  2893.22   93.833  2809.71  123.452  3007.48  144.395   53.648   1.1854   55.459   1.3413 -1.811169 1.790036 
1 1 1    0   43   23 o   28.188   1.2499  791.226   67.763  879.018   93.690  694.920   98.128   29.881   1.6152   26.495   1.9079 3.386414 2.499817 
1 1 1    0   43   24 o   20.688   1.6456  429.566   66.006  429.566   91.186  429.567   95.669   20.705   2.2688   20.671   2.3842 0.3378868E-01 3.291136 
1 1 1    0   43   25 o   8.8893   2.4849   47.472   65.762   0.4500   91.229   98.336   94.883   7.6306   3.3140   10.148   3.7037 -2.517409 4.969849 
1 1 1    0   43   26 o   23.519   1.5976  559.632   72.606  534.657   97.354  590.933  108.989   22.966   2.1838   24.072   2.3324 -1.106461 3.195147 
1 1 1    0   43   27 o   13.688   2.8750  224.329   84.451  163.622  121.233  281.556  117.709   11.932   4.2070   15.444   3.9197 -3.512262 5.749979 
1 1 1    0   44    0 o  100.384   3.2643 10523.56  343.175 10663.54  358.928  9033.08  1171.22  104.776   1.7647   95.992   6.2855 8.784340 6.528531 
1 1 1    0   44    1 o   86.012   2.3894  7744.64  187.708  7819.71  194.012  6645.59  742.369   89.730   1.1138   82.294   4.6472 7.436928 4.778794 
1 1 1    0   44    2 o   35.682   4.6179  1979.91   74.715  2003.08   75.343  606.910  580.040   45.420   0.8545   25.944   9.1962 19.47598 9.235848 
1 1 1    0   44    3 o   52.377   4.1002  2732.38  413.545  2996.55  570.765  2440.44  600.012   55.136   5.3328   49.619   6.2295 5.517147 8.200322 
1 1 1    0   44    4 o  170.507   1.4334 28290.06  459.244 28305.51  580.799 28264.28  750.167  170.620   1.7536  170.394   2.2680 0.2264099 2.866852 
1 1 1    0   44    5 o  102.838   1.0547 10292.12  200.820 10324.16  249.261 10232.85  339.009  103.088   1.2456  102.589   1.7023 0.4985428 2.109380 
1 1 1    0   44    6 o  107.949   1.0891 11330.55  217.126 11339.33  268.570 11313.99  368.909  108.034   1.2807  107.865   1.7619 0.1688919 2.178140 
1 1 1    0   44    7 o  103.780   1.0684 10494.10  205.362 10554.99  255.162 10382.14  346.016  104.231   1.2611  103.329   1.7251 0.9014130 2.136883 
1 1 1    0   44    8 o   76.085   0.9833  5624.40  145.211  5552.62  203.197  5699.31  207.592   75.590   1.3848   76.581   1.3964 -0.9911880 1.966660 
1 1 1    0   44    9 o   38.606   0.9086  1447.48   68.076  1411.25   95.041  1485.65   97.557   38.110   1.2847   39.102   1.2853 -0.9916649 1.817246 
1 1 1    0   44   10 o  101.370   1.1945  9994.86  235.023 10041.85  330.240  9946.63  334.546  101.613   1.6742  101.127   1.7042 0.4866180 2.389019 
1 1 1    0   44   11 o   57.495   0.8905  3212.57   99.371  3273.26  140.636  3152.06  140.428   58.038   1.2483   56.952   1.2702 1.085857 1.780935 
1 1 1    0   44   12 o   29.710   1.1022  854.294   63.401  798.799   85.957  920.510   93.894   28.658   1.5452   30.763   1.5724 -2.104733 2.204499 
1 1 1    0   44   13 o   10.605   2.1224   70.116   60.281 -71.5435   83.020  228.086   87.669   6.2206   2.8841   14.990   3.1146 -8.769470 4.244838 
1 1 1    0   44   14 o   98.243   1.0889  9295.92  196.360  9104.04  240.060  9683.85  341.333   96.765   1.2780   99.720   1.7633 -2.954880 2.177755 
1 1 1    0   44   15 o   25.648   1.1945  634.373   58.609  606.489   75.944  675.439   92.161   24.963   1.5672   26.332   1.8030 -1.369179 2.388911 
1 1 1    0   44   16 o   27.817   1.1474  745.463   61.560  684.764   81.617  825.565   93.759   26.520   1.5854   29.114   1.6590 -2.594782 2.294719 
1 1 1    0   44   17 o   57.512   0.8508  3241.87   92.110  3322.29  117.563  3114.04  148.229   58.459   1.0360   56.566   1.3499 1.893456 1.701643 
1 1 1    0   44   18 o   24.705   1.2911  588.262   60.764  557.012   77.862  636.943   97.181   23.890   1.6790   25.520   1.9617 -1.630798 2.582112 
1 1 1    0   44   19 o   34.857   1.0019  1160.19   66.368  1072.48   84.319  1303.01  107.598   33.174   1.3094   36.541   1.5169 -3.366734 2.003858 
1 1 1    0   44   20 o   44.902   0.9089  1959.19   78.237  1921.21  102.409  2012.43  121.251   44.398   1.1883   45.407   1.3756 -1.009464 1.817770 
1 1 1    0   44   21 o   34.996   1.0336  1197.02   69.986  1188.53   95.042  1207.09  103.442   34.871   1.4041   35.121   1.5173 -0.2506599 2.067237 
1 1 1    0   44   22 o   38.492   0.9913  1453.80   73.927  1492.95  102.353  1411.11  106.893   39.047   1.3503   37.936   1.4516 1.111172 1.982532 
1 1 1    0   44   23 o   36.273   1.0314  1295.77   72.166  1312.85   97.149  1274.74  107.796   36.568   1.3686   35.978   1.5435 0.5903702 2.062865 
1 1 1    0   44   24 o   9.9522   2.5011   83.881   65.764   13.413   94.014  151.402   92.027   8.0423   3.4263   11.862   3.6446 -3.819808 5.002244 
1 1 1    0   44   25 o   15.949   2.2797  276.210   68.135  275.593   95.195  276.858   97.564   15.949   3.1862   15.949   3.2612 -0.2756119E-03 4.559364 
1 1 1    0   44   26 o   13.588   2.6742  212.084   73.087  211.131  101.108  213.127  105.769   13.580   3.7240   13.596   3.8391 -0.1653767E-01 5.348495 
1 1 1    0   44   27 o   8.2831   2.6173  -5.5885   84.548 -10.4585  134.236  -2.3863  108.852   8.5880   3.8590   7.9783   3.5368 0.6097059 5.234584 
1 1 1    0   45    1 o   76.224   2.3469  5909.58  150.428  5936.31  154.487  5421.05  660.584   78.182   1.0179   74.267   4.5821 3.914665 4.693831 
1 1 1    0   45    2 o   24.955   4.1827  314.918   53.112  306.663   53.396  1082.98  515.046   17.762   1.5486   32.148   8.2209 -14.38619 8.365468 
1 1 1    0   45    3 o   65.518   2.8402  4363.22  119.589  4372.98  121.397  4042.77  695.395   67.105   0.9319   63.931   5.6034 3.174007 5.680387 
1 1 1    0   45    4 o   37.263   0.8197  1321.82   55.119  1278.00   66.125  1421.60   99.775   36.277   0.9390   38.250   1.3438 -1.972973 1.639343 
1 1 1    0   45    5 o   72.070   0.8419  5054.33  111.715  5073.01  137.821  5018.53  190.762   72.275   0.9823   71.865   1.3674 0.4092636 1.683715 
1 1 1    0   45    6 o   52.918   0.7711  2749.38   74.333  2807.49   91.134  2633.90  128.477   53.770   0.8731   52.067   1.2712 1.703026 1.542152 
1 1 1    0   45    7 o   93.913   0.9928  8538.66  171.549  8469.81  210.856  8673.47  295.038   93.374   1.1633   94.451   1.6092 -1.077469 1.985631 
1 1 1    0   45    8 o   48.452   0.8551  2282.07   80.360  2314.94  111.892  2247.06  115.486   48.814   1.1808   48.091   1.2371 0.7232475 1.710202 
1 1 1    0   45    9 o   21.664   6.3439  183.525  433.401  229.731  571.162  120.811  665.421   21.495   8.7377   21.833   9.1996 -0.3386517 12.68779 
1 1 1    0   45   10 o   62.104   0.9142  3746.98  110.187  3679.98  153.873  3817.50  157.857   61.535   1.2882   62.674   1.2975 -1.138664 1.828373 
1 1 1    0   45   11 o   63.806   0.9391  3958.17  116.294  3927.40  165.843  3987.94  163.121   63.561   1.3441   64.051   1.3120 -0.4903793 1.878278 
1 1 1    0   45   12 o   23.533   1.4451  535.751   65.369  650.606   96.642  438.884   88.752   25.846   1.9262   21.219   2.1547 4.627161 2.890158 
1 1 1    0   45   13 o   95.882   1.1932  8948.79  222.072  9029.24  315.284  8869.58  312.846   96.309   1.6864   95.454   1.6884 0.8555756 2.386354 
1 1 1    0   45   14 o   95.587   1.0597  8925.60  188.886  9019.48  236.976  8762.06  312.783   96.313   1.2675   94.861   1.6986 1.451866 2.119393 
1 1 1    0   45   15 o   7.7767   2.2983   11.328   57.364   7.8269   75.377   16.148   88.428   7.3929   3.1046   8.1605   3.3898 -0.7676001 4.596674 
1 1 1    0   45   16 o   50.797   0.8289  2500.05   79.572  2469.86  101.234  2548.86  128.714   50.408   1.0346   51.186   1.2954 -0.7781258 1.657857 
1 1 1    0   45   17 o   30.882   1.0582  934.375   62.423  959.345   81.938  899.838   96.365   31.388   1.3448   30.375   1.6343 1.012623 2.116474 
1 1 1    0   45   18 o   39.812   0.9121  1549.30   68.861  1569.59   88.704  1518.54  109.239   40.157   1.1379   39.466   1.4259 0.6903229 1.824298 
1 1 1    0   45   19 o   23.530   1.3762  541.417   61.460  535.779   78.845  550.147   98.116   23.399   1.7358   23.662   2.1361 -0.2622738 2.752486 
1 1 1    0   45   20 o   12.381   2.1376  159.834   58.201  255.103   78.812   45.556   86.318   16.045   2.5304   8.7161   3.4459 7.328885 4.275191 
1 1 1    0   45   21 o   46.851   0.9096  2148.00   82.291  2172.64  111.223  2118.19  122.321   47.166   1.2148   46.536   1.3541 0.6297302 1.819124 
1 1 1    0   45   22 o   15.387   2.1363  251.030   62.237  365.628   89.438  143.439   86.660   19.106   2.4114   11.669   3.5270 7.437967 4.272572 
1 1 1    0   45   23 o   21.966   1.5764  482.995   67.190  499.026   95.143  467.045   94.900   22.340   2.1940   21.592   2.2642 0.7483006 3.152783 
1 1 1    0   45   24 o   11.826   2.5605  152.429   64.525  165.311   88.670  137.930   94.072   12.285   3.5307   11.366   3.7093 0.9192801 5.120983 
1 1 1    0   45   25 o   9.8273   2.6048   88.719   67.789   65.630   96.365  111.338   95.379   9.2069   3.6406   10.448   3.7264 -1.240910 5.209619 
1 1 1    0   45   26 o   24.581   1.5575  609.664   73.641  509.200   98.483  737.079  110.910   22.271   2.2780   26.891   2.1247 -4.619530 3.115090 
1 1 1    0   46    0 o   79.867   3.6309  7303.12  258.051  7461.35  267.249  5122.36  992.138   87.645   1.5708   72.089   7.0899 15.55613 7.261837 
1 1 1    0   46    1 o   70.833   2.5911  5500.65  142.899  5561.62  146.467  4294.66  651.441   75.674   0.9971   65.992   5.0853 9.682220 5.182133 
1 1 1    0   46    2 o   70.175   2.6403  5357.68  140.661  5409.55  143.952  4262.01  661.613   74.633   0.9936   65.717   5.1864 8.915947 5.280682 
1 1 1    0   46    3 o   22.251   4.1132  606.856   56.202  613.066   56.534   83.081  519.231   25.122   1.1593   19.381   8.1442 5.740835 8.226303 
1 1 1    0   46    4 o  127.320   1.2333 15759.22  290.656 15747.16  360.314 15781.68  491.809  127.288   1.4582  127.353   1.9894 -0.6474304E-01 2.466614 
1 1 1    0   46    5 o   70.574   0.8416  4868.09  109.185  4931.89  134.792  4746.35  186.197   71.261   0.9744   69.887   1.3725 1.374718 1.683229 
1 1 1    0   46    6 o   36.133   0.8138  1274.14   53.928  1286.27   66.351  1250.52   92.568   36.393   0.9392   35.873   1.3293 0.5202141 1.627643 
1 1 1    0   46    7 f   9.9853   2.0313  101.836   46.817  154.028   59.127   14.120   76.652   12.344   2.5519   7.6270   3.1611 4.716650 4.062603 
1 1 1    0   46    8 o   48.093   3.6595  2511.64   88.118  2520.32   88.971  2065.29  637.925   50.942   0.8997   45.244   7.2635 5.698448 7.318987 
1 1 1    0   46    9 o   71.194   0.9620  4925.50  132.899  4879.45  185.242  4974.33  190.776   70.852   1.3469   71.536   1.3738 -0.6834335 1.923914 
1 1 1    0   46   10 o   65.208   0.9439  4132.08  119.379  4097.09  165.077  4170.45  172.846   64.921   1.3099   65.496   1.3595 -0.5747375 1.887875 
1 1 1    0   46   11 o   98.136   1.2393  9373.36  236.084  9298.20  331.996  9450.24  335.783   97.739   1.7498   98.534   1.7555 -0.7949600 2.478680 
1 1 1    0   46   12 o   53.636   0.9050  2791.66   94.140  2643.34  130.073  2954.80  136.421   52.143   1.2851   55.130   1.2748 -2.987141 1.810092 
1 1 1    0   46   13 o   70.238   1.0127  4797.71  138.047  4691.43  193.325  4908.29  197.187   69.444   1.4341   71.031   1.4301 -1.587357 2.025314 
1 1 1    0   46   14 o   37.567   0.9576  1369.99   68.619  1358.18   88.944  1387.37  107.849   37.374   1.2260   37.759   1.4714 -0.3846741 1.915204 
1 1 1    0   46   15 o   20.033   1.4917  389.016   57.107  376.534   73.965  407.438   89.857   19.647   1.9394   20.419   2.2670 -0.7716827 2.983393 
1 1 1    0   46   16 o   31.953   1.0283  1005.40   62.673  1062.98   82.790  928.115   95.917   33.048   1.2905   30.857   1.6013 2.190651 2.056613 
1 1 1    0   46   17 o   14.816   2.0876  249.581   58.880  366.595   77.905   93.690   89.920   19.348   2.0743   10.285   3.6235 9.062693 4.175221 
1 1 1    0   46   18 o   8.8784   2.3846   38.270   57.895  -4.7311   73.582  108.156   93.805   6.9652   3.0005   10.792   3.7069 -3.826416 4.769127 
1 1 1    0   46   19 o   24.126   1.3314  578.268   61.460  628.594   82.722  516.259   91.824   25.339   1.6818   22.913   2.0645 2.425533 2.662770 
1 1 1    0   46   20 o   40.213   0.9395  1585.32   72.947  1642.24   99.267  1518.49  107.556   41.017   1.2467   39.410   1.4059 1.606216 1.879094 
1 1 1    0   46   21 o   47.302   0.8767  2185.84   79.939  2168.45  106.758  2208.05  120.606   47.108   1.1674   47.496   1.3081 -0.3875580 1.753320 
1 1 1    0   46   22 o   22.003   1.5346  484.836   65.352  455.745   93.977  512.079   90.943   21.333   2.2694   22.672   2.0663 -1.339874 3.069204 
1 1 1    0   46   23 o   14.111   2.4072  216.874   65.270  233.337   90.485  199.015   94.241   14.725   3.2524   13.497   3.5496 1.228124 4.814380 
1 1 1    0   46   24 o   10.219   2.5072   84.472   67.373   1.3920   91.409  183.281   99.687   7.6299   3.3154   12.808   3.7619 -5.177756 5.014346 
1 1 1    0   46   25 o   10.368   2.6689  108.705   69.790   95.904   98.717  121.495   98.680   10.004   3.7545   10.733   3.7943 -0.7289534 5.337885 
1 1 1    0   46   26 o   10.164   2.8735   76.932   86.379  159.609  136.233   21.348  111.703   11.839   4.4170   8.4880   3.6767 3.351313 5.746986 
1 1 1    0   47    1 o   33.860   4.5062  1360.02   64.574  1365.45   65.002  951.194  564.096   37.498   0.8930   30.222   8.9680 7.276075 9.012364 
1 1 1    0   47    2 o   49.258   3.3924  2610.64   86.409  2619.73   87.294  2168.77  608.402   51.940   0.8658   46.575   6.7293 5.365074 6.784812 
1 1 1    0   47    3 o   82.229   2.5768  7309.00  182.763  7398.09  188.381  5881.66  754.010   87.269   1.1120   77.188   5.0323 10.08129 5.153656 
1 1 1    0   47    4 o   50.563   0.7640  2477.71   70.632  2466.56   86.330  2500.29  122.842   50.398   0.8824   50.728   1.2475 -0.3298073 1.528053 
1 1 1    0   47    5 o   20.226   1.2924  409.725   46.718  430.184   56.817  367.018   82.090   21.038   1.3912   19.413   2.1784 1.625246 2.584720 
1 1 1    0   47    6 o   22.172   1.1528  454.558   47.754  398.044   58.673  565.461   82.193   20.234   1.4938   24.110   1.7562 -3.875181 2.305587 
1 1 1    0   47    7 o   59.500   0.7784  3432.25   85.317  3416.97  105.093  3461.79  146.116   59.315   0.9127   59.685   1.2612 -0.3702545 1.556787 
1 1 1    0   47    8 o   42.429   0.7896  1778.32   61.084  1838.52   75.224  1661.79  104.666   43.508   0.8907   41.349   1.3040 2.159534 1.579145 
1 1 1    0   47    9 o   23.492   1.3399  536.692   60.865  604.651   87.911  474.122   84.353   24.922   1.8172   22.062   1.9696 2.859140 2.679848 
1 1 1    0   47   10 o  103.461   1.2764 10416.67  256.298 10652.89  366.631 10190.91  358.428  104.608   1.8055  102.315   1.8047 2.293221 2.552783 
1 1 1    0   47   11 o   57.699   0.9319  3236.81  104.368  3215.78  146.573  3258.44  148.647   57.510   1.3129   57.889   1.3228 -0.3794441 1.863769 
1 1 1    0   47   12 o   69.443   1.0037  4691.42  135.292  4660.34  192.257  4721.91  190.421   69.214   1.4310   69.672   1.4080 -0.4582825 2.007485 
1 1 1    0   47   13 o   22.122   1.5787  477.825   67.754  498.305   96.110  457.591   95.531   22.595   2.1912   21.648   2.2733 0.9473343 3.157450 
1 1 1    0   47   14 o   73.440   0.9159  5249.75  125.425  5259.02  156.985  5233.40  208.563   73.552   1.0995   73.328   1.4652 0.2240677 1.831888 
1 1 1    0   47   15 o   19.986   1.5393  387.485   59.471  355.791   79.832  427.008   89.147   19.077   2.1558   20.896   2.1978 -1.819262 3.078569 
1 1 1    0   47   16 o   47.739   0.8761  2209.92   78.093  2186.75   97.632  2251.07  130.120   47.412   1.0608   48.065   1.3946 -0.6528358 1.752195 
1 1 1    0   47   17 o   10.956   2.3358  121.948   55.601  155.421   73.369   76.793   85.216   12.282   3.0822   9.6291   3.5106 2.653035 4.671663 
1 1 1    0   47   18 o   23.313   1.3352  517.344   59.233  458.862   75.240  612.670   96.060   21.643   1.7909   24.983   1.9807 -3.340048 2.670304 
1 1 1    0   47   19 o   32.169   1.0701  1034.70   64.887  1128.61   84.788  901.960  100.804   34.005   1.2845   30.334   1.7119 3.671219 2.140230 
1 1 1    0   47   20 o   61.309   0.8772  3678.45  101.295  3695.59  128.734  3650.59  164.138   61.547   1.0775   61.070   1.3846 0.4776039 1.754441 
1 1 1    0   47   21 o   9.7893   2.3892   82.429   59.994   15.637   86.033  145.652   83.704   7.8524   3.3082   11.726   3.4479 -3.873894 4.778337 
1 1 1    0   47   22 o   24.006   1.4073  574.731   65.300  635.213   92.407  514.404   92.289   25.302   1.8814   22.710   2.0935 2.591709 2.814679 
1 1 1    0   47   23 o   20.216   1.7224  414.821   67.564  413.122   94.152  416.625   97.012   20.185   2.4029   20.247   2.4683 -0.6150818E-01 3.444794 
1 1 1    0   47   24 o   6.1836   2.0620 -104.1459   66.052 -172.6151   92.658 -33.4045   94.183   5.2927   2.6006   7.0746   3.2006 -1.781932 4.123987 
1 1 1    0   47   25 f   16.227   2.3563  293.189   71.674  274.058   98.525  314.693  104.459   15.644   3.3456   16.810   3.3190 -1.165810 4.712631 
1 1 1    0   48    0 o   87.787   3.3068  7615.79  267.078  7626.59  275.586  7448.87  1083.27   88.603   1.6023   86.971   6.4165 1.632286 6.613510 
1 1 1    0   48    1 o   69.584   2.7687  5140.79  138.613  5173.42  141.415  4341.73  699.788   72.982   0.9982   66.187   5.4467 6.795525 5.537373 
1 1 1    0   48    2 o   38.924   4.5125  1794.71   74.048  1802.31   74.599  1286.55  610.403   43.080   0.8921   34.768   8.9809 8.311604 9.025074 
1 1 1    0   48    3 o   67.078   2.7828  4486.70  123.733  4491.34  125.689  4341.11  704.188   68.003   0.9522   66.154   5.4836 1.848984 5.565691 
1 1 1    0   48    4 o   67.538   3.0886  5118.38  137.986  5164.47  140.480  3854.40  735.639   72.918   0.9925   62.157   6.0969 10.76097 6.177149 
1 1 1    0   48    5 o   68.202   0.8310  4507.53  103.719  4483.84  126.862  4555.29  180.124   67.944   0.9619   68.459   1.3554 -0.5151138 1.662029 
1 1 1    0   48    6 o   85.681   0.9439  7130.62  148.279  7120.36  181.884  7150.97  256.042   85.610   1.0945   85.753   1.5381 -0.1432877 1.887796 
1 1 1    0   48    7 o   29.082   0.9377  819.464   50.631  813.047   62.878  831.297   85.384   28.927   1.1198   29.237   1.5045 -0.3098164 1.875466 
1 1 1    0   48    8 o   35.175   0.8960  1167.81   58.308  1094.48   71.289  1316.02  101.343   33.562   1.0943   36.788   1.4191 -3.226265 1.792021 
1 1 1    0   48    9 o   21.037   1.5363  433.398   62.331  488.466   87.965  377.866   88.335   22.391   2.0238   19.682   2.3120 2.708769 3.072638 
1 1 1    0   48   10 o   30.587   1.1455  911.174   67.942  962.411   96.227  860.241   95.942   31.448   1.5763   29.727   1.6626 1.720490 2.291072 
1 1 1    0   48   11 o   75.442   1.0364  5536.32  151.766  5421.43  213.050  5654.69  216.243   74.647   1.4703   76.237   1.4612 -1.590057 2.072889 
1 1 1    0   48   12 o   17.084   2.0043  293.560   64.103  339.485   89.521  245.231   91.834   18.636   2.4746   15.532   3.1535 3.103618 4.008519 
1 1 1    0   48   13 f   32.552   1.1943  1030.74   75.160  1164.81  108.647  907.688  104.085   34.584   1.6184   30.520   1.7568 4.063925 2.388640 
1 1 1    0   48   14 o   15.482   2.0106  246.478   57.896  295.673   78.903  189.094   85.217   17.382   2.3385   13.581   3.2712 3.800317 4.021119 
1 1 1    0   48   15 o   67.491   0.9030  4417.13  113.816  4370.56  142.332  4499.74  189.547   67.027   1.0939   67.954   1.4369 -0.9268570 1.805944 
1 1 1    0   48   16 o   32.549   1.0308  1020.87   64.136  966.872   82.824  1101.74  101.362   31.497   1.3546   33.601   1.5540 -2.103287 2.061548 
1 1 1    0   48   17 o   46.845   0.8833  2130.35   77.785  2104.88   98.152  2173.38  127.541   46.494   1.0875   47.196   1.3921 -0.7022324 1.766542 
1 1 1    0   48   18 o   47.131   0.8744  2192.35   78.421  2316.62  103.052  2021.39  120.875   48.762   1.0887   45.499   1.3686 3.263100 1.748787 
1 1 1    0   48   19 o   10.761   2.3969  115.553   56.216   95.143   77.278  138.493   81.928   9.9562   3.3652   11.566   3.4141 -1.610286 4.793768 
1 1 1    0   48   20 o   18.333   1.6227  337.046   57.289  355.716   77.772  314.897   84.708   18.928   2.1167   17.739   2.4600 1.188803 3.245304 
1 1 1    0   48   21 o   9.1911   2.2672   45.742   59.189 -52.1035   81.193  156.711   86.467   6.2946   2.8946   12.088   3.4902 -5.792992 4.534357 
1 1 1    0   48   22 o   12.738   2.4041  170.707   64.328   91.686   88.060  261.130   94.198   9.8737   3.5734   15.603   3.2170 -5.729302 4.808131 
1 1 1    0   48   23 o   22.586   1.5060  514.157   65.992  513.395   91.784  514.972   94.950   22.583   2.0937   22.590   2.1653 -0.6523132E-02 3.012029 
1 1 1    0   48   24 o   9.8193   2.5282   85.004   66.909  149.329   94.165   19.410   95.089   11.577   3.7054   8.0620   3.4405 3.514567 5.056353 
1 1 1    0   48   25 o   10.757   2.6569  124.026   71.026  174.642   99.821   72.123  101.082   12.220   3.8026   9.2940   3.7117 2.926297 5.313807 
1 1 1    0   49    1 o   49.566   3.9599  2260.87   83.734  2256.44   84.223  2638.67  777.932   48.201   0.9001   50.931   7.8685 -2.730148 7.919809 
1 1 1    0   49    2 o   17.041   5.0962   59.848   57.610   56.136   57.824  558.323  670.084   8.1716   2.9028   25.911   9.7704 -17.73930 10.19247 
1 1 1    0   49    3 o   79.099   2.9159  6246.76  161.850  6253.66  164.739  6055.35  867.963   80.233   1.0577   77.964   5.7351 2.269318 5.831841 
1 1 1    0   49    4 o   90.728   2.8628  8757.72  214.049  8833.36  219.872  7386.11  936.286   95.343   1.1880   86.113   5.6011 9.229805 5.725694 
1 1 1    0   49    5 o   36.133   0.8851  1265.01   57.958  1258.01   70.234  1279.96  102.614   35.986   1.0054   36.280   1.4570 -0.2946243 1.770270 
1 1 1    0   49    6 o   31.030   0.9588  926.422   53.907  909.526   65.123  963.199   96.082   30.595   1.0965   31.466   1.5730 -0.8711472 1.917501 
1 1 1    0   49    7 o   36.653   0.8798  1312.52   59.238  1326.95   73.040  1284.78  101.265   36.957   1.0181   36.348   1.4352 0.6092262 1.759633 
1 1 1    0   49    8 o   90.422   0.9935  7947.14  165.649  7939.28  204.451  7962.17  282.614   90.384   1.1653   90.460   1.6094 -0.7660675E-01 1.986995 
1 1 1    0   49    9 o   21.231   1.3389  441.013   52.134  444.698   64.138  433.838   89.502   21.377   1.5457   21.086   2.1866 0.2905178 2.677736 
1 1 1    0   49   10 o   26.099   1.2919  666.538   65.156  720.216   90.690  609.273   93.671   27.196   1.7179   25.003   1.9300 2.192904 2.583788 
1 1 1    0   49   11 o   26.672   1.3133  691.265   67.627  596.403   93.060  797.422   98.445   24.734   1.9382   28.611   1.7726 -3.876476 2.626526 
1 1 1    0   49   12 o   61.464   0.9738  3675.88  116.182  3621.28  164.344  3730.43  164.267   61.006   1.3878   61.921   1.3666 -0.9148598 1.947696 
1 1 1    0   49   13 o   47.408   0.9585  2174.26   87.916  2352.86  131.028  2028.01  118.568   49.167   1.3729   45.650   1.3380 3.516937 1.917052 
1 1 1    0   49   14 o   49.354   0.8517  2329.69   79.033  2214.95   98.970  2531.63  131.303   47.720   1.0684   50.988   1.3266 -3.268139 1.703331 
1 1 1    0   49   15 o   55.630   0.8786  3004.02   91.689  2976.29  115.418  3051.47  150.958   55.306   1.0751   55.953   1.3898 -0.6470222 1.757103 
1 1 1    0   49   16 o   59.854   0.8843  3492.43   98.443  3495.62  122.799  3486.70  164.681   59.927   1.0556   59.781   1.4191 0.1457100 1.768672 
1 1 1    0   49   17 o   40.904   0.9189  1621.00   70.617  1588.09   88.858  1677.41  116.342   40.370   1.1339   41.438   1.4463 -1.068188 1.837840 
1 1 1    0   49   18 o   35.362   0.9765  1211.74   65.656  1172.80   84.117  1272.45  105.030   34.663   1.2501   36.061   1.5004 -1.397827 1.952968 
1 1 1    0   49   19 o   20.869   1.4267  430.083   57.068  425.728   74.855  436.127   88.188   20.773   1.8563   20.964   2.1671 -0.1907082 2.853426 
1 1 1    0   49   20 o   36.350   0.9862  1295.43   68.729  1285.69   90.239  1308.87  106.062   36.219   1.2835   36.481   1.4977 -0.2613564 1.972433 
1 1 1    0   49   21 o   18.069   1.9111  332.953   64.007  250.012   86.537  433.138   95.107   15.381   3.0061   20.756   2.3605 -5.375241 3.822129 
1 1 1    0   49   22 o   28.149   1.2630  793.327   68.544  871.086   95.185  709.574   98.786   29.640   1.6543   26.659   1.9089 2.981686 2.526035 
1 1 1    0   49   23 o   12.118   2.3555  156.303   66.415   35.663   95.232  270.544   92.672   8.4565   3.5157   15.779   3.1360 -7.322831 4.711091 
1 1 1    0   49   24 o   15.992   2.3209  284.441   69.602  273.444   96.461  296.385  100.529   15.665   3.2775   16.319   3.2871 -0.6545925 4.641895 
1 1 1    0   50    0 o  113.028   3.9951 13691.90  436.571 13882.27  453.733 11317.21  1602.53  119.493   1.9561  106.563   7.7470 12.92960 7.990141 
1 1 1    0   50    1 o   33.955   5.6407  1226.86   69.506  1227.83   69.732  1078.62  862.979   35.551   1.0105   32.358   11.236 3.192619 11.28147 
1 1 1    0   50    2 o   36.526   5.5087  1602.27   75.387  1606.54   75.706  1098.17  822.079   40.667   0.9590   32.384   10.976 8.283691 11.01750 
1 1 1    0   50    3 o   34.220   4.4837  2297.24   86.973  2332.88   87.539 -433.3628  766.292   49.007   0.9202   19.433   8.9201 29.57431 8.967434 
1 1 1    0   50    4 o   16.163   5.2144 -70.2347   59.337 -75.4174   59.540  686.446  719.431   4.8679   2.3140   27.458   10.169 -22.59024 10.42882 
1 1 1    0   50    5 o   60.727   0.8276  3622.67   91.761  3701.61  112.764  3467.94  157.876   61.731   0.9410   59.724   1.3618 2.006813 1.655287 
1 1 1    0   50    6 o   51.517   0.7890  2572.29   75.409  2556.34   93.599  2601.78  127.296   51.299   0.9399   51.735   1.2675 -0.4362068 1.578013 
1 1 1    0   50    7 o   80.936   0.9332  6393.25  138.559  6442.60  170.466  6297.17  237.865   81.423   1.0785   80.449   1.5232 0.9734879 1.866334 
1 1 1    0   50    8 o   30.615   1.0184  935.042   56.285  979.338   68.963  846.662   97.411   31.742   1.1192   29.487   1.7018 2.255775 2.036868 
1 1 1    0   50    9 o   42.383   0.8482  1755.33   66.270  1775.59   82.032  1717.26  112.437   42.748   0.9886   42.019   1.3785 0.7296257 1.696316 
1 1 1    0   50   10 o   18.126   1.9785  327.427   67.364  274.666   94.257  382.511   96.309   16.474   3.0602   19.777   2.5086 -3.303549 3.956978 
1 1 1    0   50   11 o   26.767   1.3301  697.942   68.915  706.961  101.650  690.270   93.750   26.922   1.9451   26.611   1.8149 0.3112411 2.660261 
1 1 1    0   50   12 o   61.871   0.9809  3717.50  117.661  3912.87  171.592  3544.10  161.648   63.401   1.3942   60.341   1.3800 3.059792 1.961726 
1 1 1    0   50   13 o   83.547   1.1365  6805.24  184.286  6999.10  262.745  6617.52  258.545   84.720   1.5977   82.373   1.6169 2.346428 2.273077 
1 1 1    0   50   14 o   65.951   0.9001  4256.29  111.275  4315.27  140.736  4157.92  181.746   66.594   1.0887   65.308   1.4336 1.286079 1.800141 
1 1 1    0   50   15 o   25.882   1.2169  646.031   60.636  587.594   79.748  726.110   93.355   24.519   1.6755   27.246   1.7651 -2.726759 2.433731 
1 1 1    0   50   16 o   72.246   0.9357  5106.57  125.838  5142.77  157.407  5042.46  209.469   72.656   1.1161   71.836   1.5022 0.8204498 1.871381 
1 1 1    0   50   17 o   61.539   0.8858  3706.91  102.133  3739.83  128.922  3651.44  167.360   61.951   1.0720   61.126   1.4105 0.8246422 1.771627 
1 1 1    0   50   18 o   9.6885   2.3029   79.293   55.359   19.905   76.538  144.447   80.168   7.6272   3.1598   11.750   3.3509 -4.122526 4.605749 
1 1 1    0   50   19 o   22.639   1.3680  498.007   59.523  421.151   78.472  602.139   91.341   20.615   1.9610   24.663   1.9079 -4.048325 2.735950 
1 1 1    0   50   20 o   15.359   2.0977  248.542   60.160  263.433   78.928  227.896   92.937   16.159   2.5163   14.559   3.3571 1.599811 4.195411 
1 1 1    0   50   21 o   15.032   2.2359  240.304   62.382  229.025   81.140  256.607   97.554   14.679   2.9500   15.384   3.3607 -0.7059126 4.471727 
1 1 1    0   50   22 o   9.5105   2.5472   79.816   64.697   90.878   92.352   69.155   90.661   9.8327   3.6430   9.1882   3.5610 0.6444225 5.094301 
1 1 1    0   50   23 o   8.4182   2.4792   32.791   67.767   5.7682   94.155   61.836   97.614   7.7463   3.3655   9.0900   3.6413 -1.343614 4.958369 
1 1 1    0   50   24 o   15.498   2.2679  264.799   70.643  109.309   95.242  454.961  105.326   10.184   3.7116   20.812   2.6071 -10.62846 4.535702 
1 1 1    0   51    1 o   17.600   5.0037  155.286   60.494  155.356   60.698  144.939  739.822   12.383   2.6075   22.817   9.6617 -10.43364 10.00733 
1 1 1    0   51    2 o   92.844   2.8700  8745.66  216.630  8772.53  222.034  8213.88  987.920   95.007   1.2039   90.682   5.6122 4.324738 5.739922 
1 1 1    0   51    3 o   29.073   5.0095  718.367   65.159  715.553   65.462  1019.97  677.672   27.132   1.2429   31.014   9.9416 -3.881884 10.01900 
1 1 1    0   51    4 o   93.922   2.8061  9494.52  229.421  9600.42  236.568  7820.87  940.446   99.381   1.2263   88.463   5.4766 10.91862 5.612181 
1 1 1    0   51    5 o   17.647   1.6295  300.551   53.798  291.532   67.149  316.715   89.898   17.294   2.0003   18.000   2.5728 -0.7061577 3.258917 
1 1 1    0   51    6 o   92.907   1.0307  8365.21  174.967  8301.52  213.569  8495.20  305.123   92.409   1.1906   93.406   1.6828 -0.9971924 2.061393 
1 1 1    0   51    7 o   41.133   0.8772  1673.67   65.662  1731.53   80.731  1560.60  112.862   42.215   0.9852   40.051   1.4517 2.163120 1.754381 
1 1 1    0   51    8 o   99.965   1.1005  9669.89  202.053  9554.67  247.677  9899.15  349.365   99.124   1.2872  100.807   1.7854 -1.682953 2.200986 
1 1 1    0   51    9 o   55.625   0.8444  3033.09   86.474  3088.22  107.083  2929.75  146.612   56.374   0.9785   54.877   1.3763 1.497231 1.688711 
1 1 1    0   51   10 o   32.869   0.9301  1022.44   55.684  972.322   67.150  1132.79   99.637   31.626   1.0938   34.112   1.5047 -2.485781 1.860263 
1 1 1    0   51   11 f   54.264   0.9599  2866.21  101.095  2856.29  144.194  2875.80  141.776   54.170   1.3713   54.358   1.3436 -0.1877823 1.919816 
1 1 1    0   51   12 o   26.379   1.3549  681.196   68.953  691.674   92.925  668.359  102.859   26.615   1.7986   26.142   2.0269 0.4734783 2.709887 
1 1 1    0   51   13 o   15.083   2.3884  234.898   70.656  154.677  101.165  311.299   98.726   12.412   3.8225   17.754   2.8646 -5.341722 4.776799 
1 1 1    0   51   14 o   23.340   1.3108  530.095   58.243  517.684   74.947  549.019   92.547   23.015   1.6775   23.666   2.0146 -0.6503582 2.621554 
1 1 1    0   51   15 o   61.873   0.8718  3685.79  100.605  3570.52  125.017  3897.61  169.473   60.552   1.0636   63.194   1.3815 -2.641220 1.743518 
1 1 1    0   51   16 o   47.090   0.8644  2180.52   77.470  2259.82  101.182  2068.16  120.436   48.158   1.0823   46.022   1.3481 2.136803 1.728837 
1 1 1    0   51   17 o   19.103   1.6750  381.698   58.467  444.910   75.584  287.531   92.253   21.265   1.8311   16.941   2.8053 4.323664 3.350012 
1 1 1    0   51   18 f   8.6885   2.2805   32.614   54.945 -25.8022   70.001  126.361   88.678   6.2575   2.8010   11.120   3.5996 -4.861985 4.561040 
1 1 1    0   51   19 o   12.622   2.2988  169.472   56.381  158.497   75.289  183.484   85.073   12.182   3.1577   13.061   3.3417 -0.8786802 4.597603 
1 1 1    0   51   20 f   26.039   1.2550  672.115   62.979  671.764   84.189  672.561   94.901   26.065   1.6640   26.014   1.8793 0.5052567E-01 2.510079 
1 1 1    0   51   21 o   6.7977   2.1373 -54.7595   63.081   35.344   84.343 -169.1433   95.031   8.1492   3.3403   5.4462   2.6674 2.703022 4.274606 
1 1 1    0   51   22 o   15.186   2.3615  256.500   67.628  276.413   92.191  233.302   99.507   15.966   3.0862   14.406   3.5752 1.560943 4.723021 
1 1 1    0   51   23 o   8.4331   2.5334   27.588   72.567   6.9114  100.279   50.320  105.143   7.9216   3.4569   8.9445   3.7043 -1.022929 5.066772 
1 1 1    0   52    0 o   19.415   5.6581  192.100   87.102  193.768   87.459 -11.1661  965.517   13.814   3.3057   25.016   10.823 -11.20205 11.31618 
1 1 1    0   52    1 o   24.255   5.0396  567.255   64.590  568.951   64.828  337.286  754.867   24.186   1.3808   24.325   9.9842 -0.1384716 10.07927 
1 1 1    0   52    2 o   33.642   5.4815  1241.03   71.651  1242.48   71.931  1054.54  813.904   35.758   1.0363   31.526   10.914 4.231449 10.96305 
1 1 1    0   52    3 o   80.251   3.1517  6536.69  171.593  6547.16  174.494  6229.60  945.009   82.076   1.0952   78.426   6.2074 3.650040 6.303315 
1 1 1    0   52    4 o   49.841   3.8897  2255.62   89.275  2248.87   89.877  2754.69  772.822   48.110   0.9624   51.572   7.7197 -3.461872 7.779420 
1 1 1    0   52    5 f   32.076   0.9638  996.979   57.619  987.547   71.879  1013.94   96.376   31.874   1.1617   32.279   1.5381 -0.4048157 1.927534 
1 1 1    0   52    6 o   53.060   0.8278  2769.85   80.692  2843.00   99.915  2632.68  136.832   54.094   0.9515   52.027   1.3549 2.066826 1.655609 
1 1 1    0   52    7 o   69.418   0.8855  4720.15  113.149  4796.34  140.013  4576.74  192.100   70.252   1.0267   68.583   1.4429 1.669662 1.770929 
1 1 1    0   52    8 o   32.565   1.0205  1008.85   62.066  951.957   76.879  1115.34  105.176   31.286   1.2659   33.843   1.6010 -2.557745 2.040966 
1 1 1    0   52    9 o   45.430   0.8635  2014.25   72.898  2031.48   91.002  1983.39  121.783   45.716   1.0254   45.144   1.3897 0.5719795 1.727073 
1 1 1    0   52   10 o   67.947   0.8807  4529.29  110.704  4618.41  137.888  4367.65  185.693   68.922   1.0306   66.972   1.4283 1.949715 1.761354 
1 1 1    0   52   11 o   11.473   2.4280  121.411   62.940   48.472   86.263  204.443   92.037   8.8632   3.4628   14.084   3.4042 -5.220438 4.855917 
1 1 1    0   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   13 o   7.2077   2.2510 -50.4909   65.973 -130.5965   94.628   25.271   92.027   5.9592   2.8557   8.4562   3.4803 -2.497066 4.501910 
1 1 1    0   52   14 o   43.800   0.8763  1859.32   72.943  1818.09   93.536  1923.31  116.525   43.203   1.1153   44.398   1.3520 -1.195362 1.752698 
1 1 1    0   52   15 o   25.130   1.2796  642.250   59.394  710.864   75.933  534.109   95.329   26.970   1.4504   23.290   2.1086 3.680792 2.559270 
1 1 1    0   52   16 o   30.787   1.0552  910.912   62.048  839.181   79.697  1021.30   98.868   29.292   1.4016   32.282   1.5777 -2.989906 2.110369 
1 1 1    0   52   17 o   13.649   2.2632  200.868   58.487  220.978   75.933  171.535   91.709   14.593   2.7820   12.704   3.5705 1.889241 4.526355 
1 1 1    0   52   18 o   18.329   1.7246  344.217   59.656  373.072   78.079  303.748   92.467   19.357   2.0780   17.302   2.7531 2.054777 3.449284 
1 1 1    0   52   19 o   14.510   2.2493  216.448   60.978  173.284   78.446  282.352   96.931   12.717   3.1847   16.302   3.1772 -3.584894 4.498524 
1 1 1    0   52   20 o   26.383   1.2736  688.987   63.841  675.723   81.948  709.466  101.825   26.124   1.6159   26.642   1.9689 -0.5175114 2.547116 
1 1 1    0   52   21 o   11.677   2.5513  145.936   62.736  125.377   80.733  177.276   99.677   10.783   3.4288   12.571   3.7788 -1.787807 5.102563 
1 1 1    0   52   22 o   24.538   1.5484  604.317   73.204  533.533   96.812  698.820  111.863   22.891   2.1787   26.186   2.2007 -3.294516 3.096735 
1 1 1    0   52   23 o   22.734   1.6863  534.371   74.081  469.226  101.793  607.722  108.015   21.211   2.4723   24.256   2.2940 -3.045454 3.372626 
1 1 1    0   53    1 o   40.315   4.5116  1180.98   72.045  1171.21   72.362  2287.66  769.848   34.715   1.0738   45.915   8.9590 -11.20012 9.023155 
1 1 1    0   53    2 o   47.423   5.6467  2965.30  100.044  2979.95  100.662  1783.47  904.321   55.383   0.9363   39.463   11.254 15.91923 11.29334 
1 1 1    0   53    3 o   62.127   3.8649  3575.01  113.041  3566.01  113.853  4198.46  947.877   60.582   0.9681   63.672   7.6690 -3.090412 7.729834 
1 1 1    0   53    4 o   41.414   5.4671  1952.84   84.431  1955.94   84.857  1645.78  844.342   44.866   0.9743   37.961   10.891 6.904938 10.93423 
1 1 1    0   53    5 o   25.395   5.5445  493.018   67.541  491.641   67.749  716.140  862.226   22.473   1.5530   28.317   10.980 -5.843500 11.08898 
1 1 1    0   53    6 o   47.280   0.8256  2115.25   71.317  2009.51   86.242  2343.96  126.833   45.474   0.9770   49.087   1.3311 -3.613014 1.651134 
1 1 1    0   53    7 o   59.700   0.8505  3463.68   92.791  3458.96  113.453  3473.23  161.269   59.659   0.9797   59.742   1.3906 -0.8361816E-01 1.701034 
1 1 1    0   53    8 o   28.671   1.1327  809.637   59.790  829.471   74.172  772.836  101.034   29.196   1.3087   28.146   1.8492 1.050200 2.265463 
1 1 1    0   53    9 o   53.082   0.8326  2748.53   80.891  2763.00   99.217  2719.86  139.697   53.313   0.9587   52.852   1.3616 0.4602242 1.665288 
1 1 1    0   53   10 o   10.547   2.2809   85.002   52.399   33.763   64.116  188.046   90.924   7.5887   2.9795   13.505   3.4544 -5.916444 4.561860 
1 1 1    0   53   11 o   22.852   1.5140  511.852   67.146  497.543   94.372  526.521   95.557   22.526   2.1582   23.177   2.1239 -0.6504021 3.027995 
1 1 1    0   53   12 o   35.894   1.1115  1256.93   77.403  1204.22  107.660  1313.33  111.364   35.115   1.5794   36.674   1.5643 -1.558578 2.222979 
1 1 1    0   53   13 o   63.671   0.9915  3953.51  122.489  4098.20  176.308  3818.51  170.298   64.797   1.4017   62.546   1.4026 2.250393 1.982964 
1 1 1    0   53   14 o   23.513   1.3451  538.012   59.623  523.055   75.312  563.127   97.593   23.109   1.6789   23.916   2.1021 -0.8073769 2.690284 
1 1 1    0   53   15 o   24.292   1.3041  567.345   60.799  491.525   79.213  676.051   94.849   22.363   1.8247   26.220   1.8635 -3.856924 2.608114 
1 1 1    0   53   16 f   15.539   2.0009  247.305   57.749  247.745   74.572  246.647   91.275   15.754   2.4384   15.323   3.1731 0.4312305 4.001789 
1 1 1    0   53   17 o   17.487   1.6992  303.483   56.881  288.707   73.804  325.099   89.267   17.005   2.2358   17.968   2.5594 -0.9625549 3.398394 
1 1 1    0   53   18 o   5.6563   1.8880 -84.3176   55.111 -46.5588   72.029 -137.6351   85.592   5.9411   2.7300   5.3715   2.6086 0.5695558 3.775906 
1 1 1    0   53   19 o   18.008   1.8384  346.535   59.247  387.357   76.132  283.846   94.344   19.695   1.9913   16.321   3.0910 3.373743 3.676877 
1 1 1    0   53   20 o   7.0291   2.1976 -16.7348   60.150   15.119   78.690 -61.5056   93.291   7.4397   3.1507   6.6185   3.0646 0.8211579 4.395296 
1 1 1    0   53   21 o   11.356   2.5641  142.986   64.018  155.216   86.519  128.188   95.168   11.795   3.5149   10.917   3.7342 0.8779202 5.128276 
1 1 1    0   53   22 o   11.051   2.6572  136.768   68.712  155.664   94.327  115.405  100.295   11.654   3.7063   10.447   3.8086 1.206777 5.314299 
1 1 1    0   54    0 o   22.383   5.5044  439.253   94.102  447.284   94.424 -732.0155  1140.28   21.433   2.2695   23.333   10.772 -1.899805 11.00873 
1 1 1    0   54    1 o   55.017   5.2450  4199.79  126.051  4241.89  127.371  2199.12  878.013   66.069   0.9931   43.966   10.443 22.10308 10.48996 
1 1 1    0   54    2 o   19.369   4.9247  296.049   65.132  299.490   65.313 -322.4858  875.706   17.525   1.9198   21.212   9.6604 -3.686852 9.849349 
1 1 1    0   54    3 o   33.526   6.2191  1346.74   76.865  1349.75   77.027  634.402  1184.47   37.264   1.0648   29.787   12.393 7.477039 12.43822 
1 1 1    0   54    4 o   25.690   5.0276  873.512   70.292  880.839   70.452 -728.8954  1041.94   30.096   1.2059   21.284   9.9827 8.812025 10.05526 
1 1 1    0   54    5 o   24.592   5.3801  589.968   70.175  592.460   70.369  139.395  946.175   24.670   1.4694   24.514   10.659 0.1561604 10.76018 
1 1 1    0   54    6 o   23.292   1.3470  552.464   55.031  588.190   66.334  473.595   98.561   24.582   1.3901   22.002   2.3076 2.579630 2.694015 
1 1 1    0   54    7 o   21.884   1.4325  470.939   57.371  477.031   70.525  459.022   98.646   22.120   1.6424   21.648   2.3474 0.4717388 2.864949 
1 1 1    0   54    8 o   10.282   2.4097  100.852   55.510  110.931   70.052   83.845   91.000   10.538   3.1679   10.026   3.6319 0.5120373 4.819418 
1 1 1    0   54    9 o   37.682   0.9227  1370.07   63.284  1346.35   76.789  1420.29  111.731   37.201   1.0634   38.163   1.5082 -0.9625015 1.845384 
1 1 1    0   54   10 o   34.530   0.9584  1154.59   59.761  1141.89   72.109  1182.43  106.794   34.254   1.0844   34.805   1.5807 -0.5508270 1.916896 
1 1 1    0   54   11 f   31.109   1.0384  908.518   57.929  855.315   68.793  1038.19  107.401   29.632   1.1960   32.586   1.6979 -2.954346 2.076842 
1 1 1    0   54   12 f   9.5592   2.5350   70.336   64.165   89.010   87.588   48.707   94.264   10.033   3.5717   9.0858   3.5982 0.9469242 5.069939 
1 1 1    0   54   13 f   24.081   1.4747  569.222   68.574  585.937  102.980  555.906   91.918   24.383   2.1757   23.779   1.9913 0.6037750 2.949388 
1 1 1    0   54   14 o   8.3570   2.1999   30.030   57.439  110.503   74.077 -91.3103   90.962   10.473   3.2785   6.2405   2.9341 4.232922 4.399757 
1 1 1    0   54   15 o   10.911   2.2298  109.947   54.224   41.448   71.891  200.339   82.585   8.0278   3.1540   13.795   3.1529 -5.766845 4.459642 
1 1 1    0   54   16 o   21.483   1.4471  458.141   59.373  457.099   77.346  459.635   92.643   21.498   1.8535   21.469   2.2230 0.2830505E-01 2.894278 
1 1 1    0   54   17 o   17.096   1.8358  294.710   59.942  290.719   77.934  300.490   93.794   17.014   2.3597   17.177   2.8130 -0.1626606 3.671628 
1 1 1    0   54   18 o   22.281   1.4800  492.449   62.933  474.934   81.257  518.705   99.489   21.844   1.9163   22.719   2.2559 -0.8755322 2.959960 
1 1 1    0   54   19 o   10.902   2.3074  126.859   58.963  194.567   78.348   38.420   89.543   13.412   3.0750   8.3929   3.4411 5.018976 4.614827 
1 1 1    0   54   20 o   17.581   2.0143  359.044   60.839  456.085   78.708  215.003   95.892   21.322   1.9016   13.840   3.5516 7.482152 4.028671 
1 1 1    0   54   21 o   14.847   2.4133  238.465   67.795  181.791   87.439  323.883  107.347   12.657   3.4599   17.037   3.3653 -4.379657 4.826567 
1 1 1    0   55    1 o   26.450   5.5146  703.770   70.110  705.598   70.304  375.040  942.694   26.928   1.3450   25.972   10.947 0.9565220 11.02913 
1 1 1    0   55    2 o   53.779   6.0137  3651.64  115.614  3663.94  116.278  2583.06  1083.74   61.398   0.9756   46.160   11.988 15.23801 12.02736 
1 1 1    0   55    3 o   67.939   4.7603  4731.96  137.632  4730.88  138.524  4815.27  1214.87   69.761   1.0229   66.118   9.4655 3.642845 9.520648 
1 1 1    0   55    4 o   47.930   5.6012  2616.40   97.621  2619.54   98.136  2319.01  953.824   51.912   0.9739   43.947   11.160 7.964760 11.20240 
1 1 1    0   55    5 o   33.797   6.3053  1345.01   78.613  1347.05   78.780  867.454  1207.01   37.216   1.0905   30.378   12.563 6.837759 12.61066 
1 1 1    0   55    6 o   58.346   0.8598  3324.38   91.741  3346.67  112.482  3280.10  158.554   58.667   0.9877   58.026   1.4076 0.6410522 1.719599 
1 1 1    0   55    7 o   22.135   1.5885  526.537   60.511  606.379   74.247  368.606  104.423   24.935   1.5339   19.335   2.7821 5.599752 3.176979 
1 1 1    0   55    8 o   41.099   0.9077  1624.36   68.729  1580.65   84.243  1711.36  118.853   40.304   1.0768   41.893   1.4615 -1.588974 1.815316 
1 1 1    0   55    9 o   24.007   1.3515  595.869   56.691  646.246   68.609  487.452  100.650   25.746   1.3728   22.267   2.3285 3.478771 2.703074 
1 1 1    0   55   10 o   21.198   1.4062  433.596   55.646  415.788   69.099  466.454   93.860   20.616   1.7267   21.780   2.2201 -1.163919 2.812485 
1 1 1    0   55   11 o   18.001   1.6856  325.992   53.149  334.730   63.352  305.228   97.662   18.484   1.7656   17.518   2.8720 0.9666271 3.371292 
1 1 1    0   55   12 o   66.903   1.0179  4373.85  132.192  4346.35  186.112  4401.86  187.795   66.692   1.4376   67.115   1.4415 -0.4233093 2.035802 
1 1 1    0   55   13 o   29.624   1.2346  871.095   70.190  761.513  102.568  967.613   96.260   27.822   1.8992   31.427   1.5779 -3.605223 2.469140 
1 1 1    0   55   14 o   31.806   1.0410  994.260   63.185  1005.95   82.442  977.619   98.368   32.063   1.3246   31.549   1.6062 0.5146503 2.081940 
1 1 1    0   55   15 o   9.0235   2.4162   59.990   57.342   39.508   73.540   91.759   91.587   8.0004   3.1750   10.047   3.6430 -2.046297 4.832437 
1 1 1    0   55   16 o   16.813   1.7180  277.875   55.160  249.845   70.701  321.476   88.180   15.784   2.3075   17.842   2.5460 -2.058041 3.436030 
1 1 1    0   55   17 o   13.620   2.2939  197.773   58.518  191.836   74.324  207.455   94.919   13.443   2.9308   13.798   3.5296 -0.3546743 4.587801 
1 1 1    0   55   18 o   32.691   1.1147  1036.21   68.403  977.752   85.369  1141.05  114.328   31.497   1.3962   33.885   1.7381 -2.387709 2.229465 
1 1 1    0   55   19 o   15.903   2.0870  258.579   60.242  221.545   74.943  326.206  101.272   14.415   2.7790   17.391   3.1143 -2.975701 4.173904 
1 1 1    0   55   20 o   17.164   2.1524  347.814   63.376  410.421   78.675  232.107  106.957   20.149   2.0115   14.180   3.8060 5.968516 4.304888 
1 1 1    0   55   21 o   12.802   2.4296  200.388   69.854  287.464   90.083   69.060  110.630   16.180   2.9780   9.4237   3.8398 6.755908 4.859250 
1 1 1    0   56    0 o   24.198   5.5640  635.058   98.805  646.723   99.027 -1952.0850  1474.71   25.769   1.9797   22.627   10.950 3.141304 11.12801 
1 1 1    0   56    1 o   35.849   6.0415  1024.26   71.141  1019.51   71.320  1964.14  1003.84   32.373   1.1349   39.326   12.030 -6.953156 12.08300 
1 1 1    0   56    2 o   18.580   5.8424   91.727   65.911   88.945   66.068  674.793  956.554   9.6179   3.1064   27.542   11.264 -17.92397 11.68485 
1 1 1    0   56    3 o   21.886   5.5647  274.754   67.581  272.356   67.779  684.966  886.577   16.682   2.0930   27.090   10.931 -10.40803 11.12933 
1 1 1    0   56    4 o   29.851   5.6918  1207.96   77.012  1213.41   77.150 -314.7675  1289.48   35.313   1.1255   24.388   11.328 10.92547 11.38353 
1 1 1    0   56    5 o   20.446   6.1256  199.662   68.374  199.243   68.475  341.471  1260.06   14.011   2.6139   26.882   11.969 -12.87184 12.25123 
1 1 1    0   56    6 o   16.972   2.0301  282.110   66.885  282.110   66.885   0.0000   0.0000   16.972   2.0301  ?   ?       ?      ? 
1 1 1    0   56    7 o   47.073   0.8861  2196.36   75.349  2266.56   91.976  2053.10  131.394   48.270   0.9816   45.876   1.4754 2.394066 1.772135 
1 1 1    0   56    8 o   25.617   1.2610  635.824   58.249  625.399   70.127  659.023  104.609   25.318   1.4269   25.915   2.0795 -0.5966187 2.521930 
1 1 1    0   56    9 o   39.529   0.9358  1540.66   65.430  1565.19   78.217  1483.47  119.412   40.100   1.0048   38.958   1.5790 1.142242 1.871615 
1 1 1    0   56   10 o   12.204   2.3238  156.917   54.263  166.205   65.579  136.751   96.628   12.706   2.7395   11.703   3.7543 1.002773 4.647572 
1 1 1    0   56   11 o   15.971   1.9468  257.381   54.824  256.068   66.496  260.168   96.879   16.120   2.1250   15.822   3.2627 0.2979746 3.893664 
1 1 1    0   56   12 o   13.010   2.1141  173.339   49.118  169.596   58.855  181.928   89.152   12.870   2.4453   13.151   3.4495 -0.2813463 4.228241 
1 1 1    0   56   13 o   34.764   1.1103  1186.53   74.923  1166.34  105.657  1206.95  106.259   34.464   1.5793   35.063   1.5612 -0.5994568 2.220689 
1 1 1    0   56   14 o   21.768   1.4003  459.232   57.929  421.667   73.566  520.536   93.979   20.655   1.8348   22.881   2.1158 -2.226328 2.800584 
1 1 1    0   56   15 o   19.799   1.6168  390.347   61.190  378.845   79.393  407.176   96.033   19.491   2.0983   20.107   2.4604 -0.6154041 3.233673 
1 1 1    0   56   16 o   11.228   2.4209  134.714   57.610  146.746   75.393  117.829   89.310   11.708   3.2178   10.749   3.6178 0.9589119 4.841748 
1 1 1    0   56   17 o   6.8331   2.0928 -69.4538   56.980 -164.0365   74.198   66.508   88.960   4.5406   2.2489   9.1255   3.5300 -4.584884 4.185527 
1 1 1    0   56   18 o   9.6478   2.5322   83.333   60.759   72.100   75.158  104.523  103.225   8.8969   3.2884   10.399   3.8517 -1.501781 5.064470 
1 1 1    0   56   19 o   22.018   1.6434  514.934   65.304  559.343   81.316  434.263  109.597   23.642   1.7719   20.394   2.7684 3.248161 3.286895 
1 1 1    0   56   20 o   8.9356   2.5271   40.747   67.197 -11.0126   85.061  126.670  109.595   7.0193   3.1184   10.852   3.9774 -3.832604 5.054127 
1 1 1    0   57    1 o   20.452   5.4559  271.314   65.737  271.603   65.882  205.434  993.249   16.655   2.0378   24.249   10.720 -7.593901 10.91179 
1 1 1    0   57    2 o   40.643   6.0305  1741.96   83.247  1739.98   83.537  2024.86  999.748   42.293   1.0175   38.992   12.018 3.301308 12.06101 
1 1 1    0   57    3 o   55.937   6.6142  2767.55  100.110  2758.54  100.344  4687.69  1464.92   53.256   0.9706   58.617   13.193 -5.361172 13.22840 
1 1 1    0   57    4 o   32.887   6.7794  1087.12   73.931  1086.39   74.032  1353.54  1414.44   33.406   1.1416   32.368   13.511 1.038387 13.55871 
1 1 1    0   57    5 o   17.340   1.9136  294.405   64.411  294.405   64.411   0.0000   0.0000   17.340   1.9136  ?   ?       ?      ? 
1 1 1    0   57    6 o   35.154   1.1370  1203.44   77.588  1203.44   77.588   0.0000   0.0000   35.154   1.1370  ?   ?       ?      ? 
1 1 1    0   57    7 o   60.071   0.8705  3514.84   95.661  3510.22  117.093  3524.11  165.882   60.054   1.0044   60.088   1.4221 -0.3422928E-01 1.741093 
1 1 1    0   57    8 o   32.753   1.0885  1082.26   63.980  1144.76   78.278  956.475  111.048   34.272   1.1766   31.234   1.8315 3.037107 2.176902 
1 1 1    0   57    9 o   56.173   0.8536  3035.77   87.936  2954.60  107.263  3202.14  153.564   55.084   1.0031   57.262   1.3815 -2.178047 1.707293 
1 1 1    0   57   10 o   32.427   1.0177  1034.16   60.187  1046.23   73.711  1010.02  104.254   32.754   1.1593   32.101   1.6731 0.6537666 2.035482 
1 1 1    0   57   11 o   20.053   1.4276  377.050   54.170  302.947   68.246  503.234   89.057   17.524   2.0062   22.581   2.0316 -5.057199 2.855240 
1 1 1    0   57   12 o   31.212   1.0361  925.471   60.752  845.267   75.544  1072.30  102.213   29.387   1.3243   33.037   1.5938 -3.650051 2.072212 
1 1 1    0   57   13 o   25.840   1.3977  662.433   70.057  638.491   99.547  685.926   98.611   25.364   2.0218   26.315   1.9304 -0.9509277 2.795388 
1 1 1    0   57   14 o   8.5291   2.2596   25.526   55.982 -43.9491   72.765  126.292   87.632   6.0246   2.7593   11.034   3.5790 -5.008980 4.519206 
1 1 1    0   57   15 o   18.375   1.7256  326.117   60.238  266.774   76.486  423.046   97.752   16.271   2.4215   20.479   2.4590 -4.207113 3.451157 
1 1 1    0   57   16 o   19.501   1.6508  371.745   60.659  335.255   75.719  437.112  101.346   18.273   2.1347   20.729   2.5186 -2.456793 3.301566 
1 1 1    0   57   17 o   10.504   2.5057  114.307   59.875  106.639   78.073  125.257   93.300   10.117   3.3826   10.891   3.6975 -0.7736797 5.011390 
1 1 1    0   57   18 o   14.608   2.2320  239.736   61.177  270.042   78.227  192.016   98.162   16.206   2.4867   13.010   3.7072 3.196082 4.463926 
1 1 1    0   57   19 o   6.3126   2.0521 -66.2763   62.251   5.9105   78.003 -192.8920  103.306   7.1086   3.0758   5.5165   2.7175 1.592124 4.104276 
1 1 1    0   58    0 o   46.689   8.0647  2562.47  134.247  2564.34  134.610  2216.35  1829.45   51.343   1.3506   42.035   16.073 9.308262 16.12947 
1 1 1    0   58    1 o   36.327   6.6485  1165.80   75.490  1161.79   75.640  2176.29  1200.04   34.543   1.1280   38.111   13.249 -3.568089 13.29698 
1 1 1    0   58    2 o   46.231   6.3410  2915.83  103.959  2923.69  104.434  2058.71  1090.87   54.817   0.9814   37.644   12.644 17.17391 12.68193 
1 1 1    0   58    3 o   39.703   7.2905  1758.09   85.314  1756.38   85.447  2306.05  1532.28   42.480   1.0362   36.926   14.544 5.553772 14.58092 
1 1 1    0   58    4 o   16.824   2.0111  277.758   65.680  277.758   65.680   0.0000   0.0000   16.824   2.0111  ?   ?       ?      ? 
1 1 1    0   58    5 o   11.873   2.8987  145.567   66.227  145.567   66.227   0.0000   0.0000   11.873   2.8987  ?   ?       ?      ? 
1 1 1    0   58    6 o   16.357   2.1174  263.224   67.231  263.224   67.231   0.0000   0.0000   16.357   2.1174  ?   ?       ?      ? 
1 1 1    0   58    7 o   32.703   1.0239  1065.43   61.066  1108.59   75.390  983.090  104.132   33.725   1.1516   31.681   1.6932 2.043846 2.047740 
1 1 1    0   58    8 o   9.3355   2.3946   71.738   54.077   62.315   67.313   88.888   90.811   8.5975   3.1223   10.074   3.6314 -1.476088 4.789132 
1 1 1    0   58    9 o   22.401   1.3895  506.839   57.313  539.300   72.003  450.712   94.680   23.462   1.5810   21.341   2.2855 2.121424 2.779048 
1 1 1    0   58   10 o   30.627   1.0354  926.584   58.657  945.094   73.085  893.078   98.329   31.105   1.2104   30.149   1.6801 0.9567490 2.070741 
1 1 1    0   58   11 o   7.7075   2.2228   28.297   51.233   31.887   64.521   22.171   84.286   7.4486   2.9683   7.9664   3.3093 -0.5178342 4.445521 
1 1 1    0   58   12 o   28.558   1.1463  834.437   59.223  901.736   73.526  710.113   99.934   30.347   1.2481   26.770   1.9231 3.577072 2.292618 
1 1 1    0   58   13 f   37.506   0.9440  1422.67   63.049  1494.94   76.535  1270.04  111.220   39.122   1.0078   35.889   1.5964 3.232830 1.887923 
1 1 1    0   58   14 o   19.102   1.6155  355.109   58.912  305.748   75.442  432.248   94.310   17.469   2.2248   20.735   2.3431 -3.266350 3.231044 
1 1 1    0   58   15 o   7.5076   2.2811   0.1412   58.890 -22.1954   75.541   34.747   94.026   6.5316   2.9177   8.4836   3.5074 -1.952013 4.562289 
1 1 1    0   58   16 o   26.114   1.3390  698.586   63.017  730.922   77.232  634.176  109.000   27.196   1.4629   25.032   2.2432 2.163729 2.678041 
1 1 1    0   58   17 o   12.675   2.4751  179.082   60.980  179.989   75.004  177.313  104.734   12.834   3.0547   12.515   3.8952 0.3189020 4.950128 
1 1 1    0   58   18 o   7.9221   2.3740   24.537   62.637   41.946   78.370  -6.2528  104.222   8.0102   3.2436   7.8340   3.4674 0.1761742 4.748050 
1 1 1    0   58   19 o   16.894   2.1532  313.582   64.943  317.177   80.101  306.687  110.940   17.492   2.3590   16.296   3.6028 1.196301 4.306437 
1 1 1    0   59    1 o   34.668   6.9046  849.335   68.789  844.159   68.886  2671.34  1292.41   29.428   1.2059   39.908   13.757 -10.48045 13.80928 
1 1 1    0   59    2 f   28.359   5.3021  1205.88   74.487  1212.05   74.575 -1420.8470  1538.55   35.275   1.0891   21.442   10.548 13.83270 10.60417 
1 1 1    0   59    3 o   24.270   1.4122  575.206   66.530  575.206   66.530   0.0000   0.0000   24.270   1.4122  ?   ?       ?      ? 
1 1 1    0   59    4 o   16.443   2.0317  265.854   64.851  265.854   64.851   0.0000   0.0000   16.443   2.0317  ?   ?       ?      ? 
1 1 1    0   59    5 o   24.650   1.3989  593.547   66.940  593.547   66.940   0.0000   0.0000   24.650   1.3989  ?   ?       ?      ? 
1 1 1    0   59    6 o   20.323   1.6730  404.760   66.002  404.760   66.002   0.0000   0.0000   20.323   1.6730  ?   ?       ?      ? 
1 1 1    0   59    7 o   28.225   1.0661  777.606   55.751  772.602   69.110  786.931   94.338   28.130   1.2656   28.320   1.7161 -0.1894951 2.132298 
1 1 1    0   59    8 o   28.150   1.1771  802.406   58.843  843.231   71.282  715.076  104.255   29.380   1.2499   26.921   1.9950 2.458963 2.354203 
1 1 1    0   59    9 o   39.833   0.8995  1587.22   65.031  1659.04   80.045  1447.78  111.536   41.246   0.9997   38.419   1.4956 2.827179 1.798927 
1 1 1    0   59   10 o   26.190   1.1848  683.487   55.879  697.772   67.868  653.424   98.460   26.693   1.3098   25.686   1.9747 1.007076 2.369579 
1 1 1    0   59   11 o   13.346   2.1950  180.278   54.542  149.395   68.497  233.790   90.163   11.875   2.9770   14.817   3.2262 -2.941577 4.389916 
1 1 1    0   59   12 o   8.2508   2.0990   45.375   52.771  111.191   63.360 -103.6688   95.347   10.293   2.9922   6.2081   2.9444 4.085326 4.197908 
1 1 1    0   59   13 o   32.817   1.0639  1061.98   64.111  1064.13   78.888  1057.80  110.021   32.946   1.2335   32.689   1.7339 0.2570152 2.127874 
1 1 1    0   59   14 o   22.161   1.4743  507.961   60.342  554.745   76.892  432.959   97.358   23.657   1.6744   20.665   2.4270 2.992655 2.948548 
1 1 1    0   59   15 o   10.157   2.3613  103.296   61.898  169.798   79.072  -1.9443   99.471   12.455   3.2398   7.8595   3.4360 4.595757 4.722532 
1 1 1    0   59   16 o   9.6908   2.5047   87.791   59.531   76.335   74.502  108.023   99.009   8.9931   3.2819   10.388   3.7846 -1.395268 5.009383 
1 1 1    0   59   17 o   8.7204   2.4052   56.998   63.342  103.337   77.407 -36.9229  110.201   9.8879   3.3679   7.5528   3.4348 2.335059 4.810423 
1 1 1    0   59   18 o   14.167   2.4332  232.880   65.291  244.603   83.114  213.986  105.517   14.895   2.9786   13.439   3.8484 1.456522 4.866427 
1 1 1    0   60    0 o   29.888   6.4520  1003.29  103.539  1008.46  103.748 -274.5713  1630.96   32.159   1.6619   27.616   12.797 4.543301 12.90401 
1 1 1    0   60    1 o   22.067   5.6885  431.891   67.720  433.821   67.778 -690.1277  1634.42   21.044   1.6592   23.091   11.255 -2.046946 11.37705 
1 1 1    0   60    2 o   51.084   0.9601  2540.84   95.207  2540.84   95.207   0.0000   0.0000   51.084   0.9601  ?   ?       ?      ? 
1 1 1    0   60    3 o   36.930   1.0815  1329.14   77.533  1329.14   77.533   0.0000   0.0000   36.930   1.0815  ?   ?       ?      ? 
1 1 1    0   60    4 o   17.085   1.8998  287.038   63.006  287.038   63.006   0.0000   0.0000   17.085   1.8998  ?   ?       ?      ? 
1 1 1    0   60    5 o   7.0657   2.9256   15.913   65.562   15.913   65.562   0.0000   0.0000   7.0657   2.9256  ?   ?       ?      ? 
1 1 1    0   60    6 o   6.6209   2.8507  -2.2858   66.341  -2.2858   66.341   0.0000   0.0000   6.6209   2.8507  ?   ?       ?      ? 
1 1 1    0   60    7 o   21.279   1.6251  444.897   67.124  444.897   67.124   0.0000   0.0000   21.279   1.6251  ?   ?       ?      ? 
1 1 1    0   60    8 o   26.608   1.1960  710.735   58.434  742.588   72.764  652.888   98.059   27.531   1.3616   25.685   1.9667 1.846256 2.392054 
1 1 1    0   60    9 o   39.326   0.9431  1513.59   67.430  1509.13   82.048  1522.86  118.356   39.305   1.0754   39.347   1.5496 -0.4253387E-01 1.886149 
1 1 1    0   60   10 o   11.092   2.3549  133.236   54.072  148.773   65.434   99.779   96.018   11.858   2.8729   10.325   3.7322 1.533622 4.709854 
1 1 1    0   60   11 o   31.207   1.0425  956.184   59.192  952.664   72.076  963.476  103.741   31.191   1.1904   31.222   1.7117 -0.3034401E-01 2.084935 
1 1 1    0   60   12 o   14.456   2.1955  220.815   57.669  222.757   70.433  216.866  100.449   14.850   2.4434   14.063   3.6484 0.7870111 4.391055 
1 1 1    0   60   13 o   29.383   1.1185  838.034   57.048  818.667   66.756  890.475  109.851   28.886   1.1906   29.880   1.8939 -0.9944496 2.237027 
1 1 1    0   60   14 o   9.1088   2.1774   87.468   47.503  113.537   54.617   6.4858   96.262   10.312   2.6976   7.9056   3.4187 2.406437 4.354819 
1 1 1    0   60   15 o   8.9913   2.2457   63.279   59.241  140.004   74.910 -64.8227   96.794   11.295   3.2449   6.6876   3.1054 4.607223 4.491430 
1 1 1    0   60   16 o   16.617   2.0833  286.159   63.442  259.687   78.838  334.798  106.865   15.821   2.5671   17.413   3.2819 -1.592111 4.166670 
1 1 1    0   60   17 o   5.9402   2.0255 -123.8136   66.856 -150.8119   85.904 -82.3400  106.471   5.1437   2.5227   6.7367   3.1696 -1.593068 4.050982 
1 1 1    0   61    1 o   6.8440   2.8563   12.052   63.202   12.052   63.202   0.0000   0.0000   6.8440   2.8563  ?   ?       ?      ? 
1 1 1    0   61    2 o   17.832   1.8838  313.241   65.206  313.241   65.206   0.0000   0.0000   17.832   1.8838  ?   ?       ?      ? 
1 1 1    0   61    3 o   20.374   1.5931  407.384   63.007  407.384   63.007   0.0000   0.0000   20.374   1.5931  ?   ?       ?      ? 
1 1 1    0   61    4 o   4.9440   2.3665 -86.4694   64.575 -86.4694   64.575   0.0000   0.0000   4.9440   2.3665  ?   ?       ?      ? 
1 1 1    0   61    5 o   6.9706   2.8890   16.072   64.020   16.072   64.020   0.0000   0.0000   6.9706   2.8890  ?   ?       ?      ? 
1 1 1    0   61    6 o   15.901   2.0869  250.936   64.417  250.936   64.417   0.0000   0.0000   15.901   2.0869  ?   ?       ?      ? 
1 1 1    0   61    7 o   8.3408   3.0138   61.258   62.601   61.258   62.601   0.0000   0.0000   8.3408   3.0138  ?   ?       ?      ? 
1 1 1    0   61    8 o   26.880   1.2447  743.291   59.538  795.438   72.708  637.157  103.728   28.479   1.3152   25.282   2.1136 3.196993 2.489386 
1 1 1    0   61    9 o   25.392   1.2780  623.804   59.811  593.466   73.057  685.469  104.158   24.548   1.5331   26.235   2.0452 -1.687004 2.556057 
1 1 1    0   61   10 o   32.575   1.0962  1058.48   63.189  1077.68   75.659  1014.22  114.899   33.175   1.1748   31.976   1.8511 1.199118 2.192443 
1 1 1    0   61   11 o   18.894   1.6400  364.141   56.357  373.294   69.238  346.173   97.012   19.379   1.8405   18.409   2.7148 0.9703255 3.279900 
1 1 1    0   61   12 o   27.676   1.2147  772.173   60.939  794.719   74.649  727.134  105.509   28.410   1.3536   26.942   2.0174 1.468227 2.429441 
1 1 1    0   61   13 o   37.651   0.9987  1364.03   67.283  1310.59   80.114  1491.94  123.946   36.546   1.1293   38.755   1.6476 -2.209194 1.997425 
1 1 1    0   61   14 o   28.407   1.2309  821.403   56.728  835.629   64.870  775.167  116.949   29.163   1.1459   27.651   2.1788 1.511862 2.461790 
1 1 1    0   61   15 o   13.207   2.4295  191.704   60.614  179.196   74.828  215.571  103.369   12.748   3.0623   13.667   3.7726 -0.9193096 4.859011 
1 1 1    0   61   16 o   9.3374   2.5791   76.642   65.663   70.901   82.175   86.783  109.213   8.8618   3.4022   9.8129   3.8772 -0.9510422 5.158222 
1 1 1    0   62    0 o   14.837   3.1979  227.152   89.389  227.152   89.389   0.0000   0.0000   14.837   3.1979  ?   ?       ?      ? 
1 1 1    0   62    1 o   26.990   1.2845  712.967   67.296  712.967   67.296   0.0000   0.0000   26.990   1.2845  ?   ?       ?      ? 
1 1 1    0   62    2 o   12.891   2.5154  171.770   60.683  171.770   60.683   0.0000   0.0000   12.891   2.5154  ?   ?       ?      ? 
1 1 1    0   62    3 f   14.995   2.2236  223.975   64.727  223.975   64.727   0.0000   0.0000   14.995   2.2236  ?   ?       ?      ? 
1 1 1    0   62    4 o   4.7417   2.2961 -102.9127   65.082 -102.9127   65.082   0.0000   0.0000   4.7417   2.2961  ?   ?       ?      ? 
1 1 1    0   62    5 o   12.524   2.7497  164.572   65.015  164.572   65.015   0.0000   0.0000   12.524   2.7497  ?   ?       ?      ? 
1 1 1    0   62    6 o   23.710   1.5070  553.256   69.362  553.256   69.362   0.0000   0.0000   23.710   1.5070  ?   ?       ?      ? 
1 1 1    0   62    7 o   40.373   1.0599  1593.13   83.067  1593.13   83.067   0.0000   0.0000   40.373   1.0599  ?   ?       ?      ? 
1 1 1    0   62    8 o   29.171   1.0661  828.675   59.097  795.133   75.508  881.703   94.942   28.454   1.3670   29.888   1.6364 -1.433403 2.132298 
1 1 1    0   62    9 o   29.811   1.1616  898.502   61.906  933.528   75.148  824.541  109.201   30.848   1.2550   28.773   1.9551 2.074255 2.323225 
1 1 1    0   62   10 o   27.002   1.1989  714.953   59.246  699.367   72.261  746.920  103.486   26.649   1.3969   27.355   1.9489 -0.7052689 2.397790 
1 1 1    0   62   11 o   22.209   1.5004  543.615   56.818  623.789   69.433  381.099   98.854   25.144   1.4225   19.273   2.6422 5.871019 3.000838 
1 1 1    0   62   12 o   18.391   1.7164  341.414   55.897  335.708   66.500  355.153  103.186   18.317   1.8702   18.465   2.8787 -0.1482258 3.432871 
1 1 1    0   62   13 o   20.498   1.6912  437.079   61.225  448.552   73.571  411.233  110.420   21.176   1.7897   19.819   2.8701 1.356937 3.382397 
1 1 1    0   62   14 o   16.825   2.0289  300.512   53.000  299.011   60.037  305.812  112.820   17.261   1.7918   16.390   3.6407 0.8709793 4.057791 
1 1 1    0   62   15 o   8.2684   2.3273   53.922   50.831   59.224   58.070   36.547  105.126   7.9296   2.8969   8.6073   3.6432 -0.6776638 4.654586 
1 1 1    0   63    1 o   9.7502   3.0320   97.815   63.473   97.815   63.473   0.0000   0.0000   9.7502   3.0320  ?   ?       ?      ? 
1 1 1    0   63    2 o   10.406   3.0384  113.639   65.202  113.639   65.202   0.0000   0.0000   10.406   3.0384  ?   ?       ?      ? 
1 1 1    0   63    3 o   16.628   2.0628  275.462   66.583  275.462   66.583   0.0000   0.0000   16.628   2.0628  ?   ?       ?      ? 
1 1 1    0   63    4 o   11.545   3.0133  141.620   68.251  141.620   68.251   0.0000   0.0000   11.545   3.0133  ?   ?       ?      ? 
1 1 1    0   63    5 o   23.032   1.5565  522.667   69.592  522.667   69.592   0.0000   0.0000   23.032   1.5565  ?   ?       ?      ? 
1 1 1    0   63    6 o   13.209   2.7138  183.094   67.260  183.094   67.260   0.0000   0.0000   13.209   2.7138  ?   ?       ?      ? 
1 1 1    0   63    7 o   20.748   1.7134  426.215   69.008  426.215   69.008   0.0000   0.0000   20.748   1.7134  ?   ?       ?      ? 
1 1 1    0   63    8 o   9.8318   3.2236   99.205   71.016   99.205   71.016   0.0000   0.0000   9.8318   3.2236  ?   ?       ?      ? 
1 1 1    0   63    9 o   12.355   2.3652  172.895   58.061  195.715   72.023  130.538   98.123   13.558   2.8280   11.151   3.7919 2.407354 4.730319 
1 1 1    0   63   10 o   11.844   2.3184  163.245   57.349  201.344   70.685   89.865   98.099   13.764   2.7419   9.9241   3.7392 3.839648 4.636767 
1 1 1    0   63   11 o   6.4619   2.0821 -27.6079   53.788  -3.0959   62.197 -100.3222  107.125   6.2759   2.7310   6.6479   3.1435 -0.3719878 4.164111 
1 1 1    0   63   12 o   30.965   1.1731  932.142   64.667  897.858   76.771  1015.89  119.984   30.162   1.3112   31.768   1.9457 -1.606432 2.346246 
1 1 1    0   63   13 o   15.753   2.1523  263.574   56.227  257.996   64.956  280.246  112.300   15.927   2.1009   15.578   3.7571 0.3491135 4.304651 
1 1 1    0   63   14 o   7.6681   2.3204 -34.7972   56.776 -83.3055   65.659  108.979  113.040   4.9343   2.3683   10.402   3.9910 -5.467576 4.640810 
1 1 1    0   64    0 o   25.455   1.9787  636.719   97.772  636.719   97.772   0.0000   0.0000   25.455   1.9787  ?   ?       ?      ? 
1 1 1    0   64    1 o   18.405   1.8847  336.215   67.334  336.215   67.334   0.0000   0.0000   18.405   1.8847  ?   ?       ?      ? 
1 1 1    0   64    2 o   17.697   1.9823  311.654   68.096  311.654   68.096   0.0000   0.0000   17.697   1.9823  ?   ?       ?      ? 
1 1 1    0   64    3 o   29.024   1.3201  826.999   74.374  826.999   74.374   0.0000   0.0000   29.024   1.3201  ?   ?       ?      ? 
1 1 1    0   64    4 o   5.7431   2.6434 -45.1146   67.926 -45.1146   67.926   0.0000   0.0000   5.7431   2.6434  ?   ?       ?      ? 
1 1 1    0   64    5 o   23.364   1.5795  539.269   71.636  539.269   71.636   0.0000   0.0000   23.364   1.5795  ?   ?       ?      ? 
1 1 1    0   64    6 o   11.286   2.9769  136.549   66.158  136.549   66.158   0.0000   0.0000   11.286   2.9769  ?   ?       ?      ? 
1 1 1    0   64    7 o   5.1503   2.4488 -76.6739   66.754 -76.6739   66.754   0.0000   0.0000   5.1503   2.4488  ?   ?       ?      ? 
1 1 1    0   64    8 o   18.058   2.0342  327.502   71.308  327.502   71.308   0.0000   0.0000   18.058   2.0342  ?   ?       ?      ? 
1 1 1    0   64    9 o   19.303   1.6663  358.097   59.442  314.256   72.059  451.462  105.157   17.651   2.1031   20.954   2.5852 -3.303827 3.332639 
1 1 1    0   64   10 o   15.348   2.1914  244.706   60.440  218.188   74.044  297.656  104.628   14.286   2.7700   16.410   3.3964 -2.124476 4.382771 
1 1 1    0   64   11 o   13.204   2.4001  164.988   58.180  116.202   68.366  293.097  110.785   10.331   3.1349   16.078   3.6350 -5.746548 4.800123 
1 1 1    0   64   12 o   10.005   2.5646   91.030   58.148   72.312   67.746  143.400  113.321   8.6369   3.1330   11.374   4.0612 -2.736938 5.129227 
1 1 1    0   64   13 o   7.6177   2.3643   0.4595   61.718 -13.7676   73.695   33.873  112.940   6.4839   2.8902   8.7514   3.7425 -2.267543 4.728575 
1 1 1    0   65    1 f   12.933   2.8944  178.453   70.851  178.453   70.851   0.0000   0.0000   12.933   2.8944  ?   ?       ?      ? 
1 1 1    0   65    2 o   12.714   2.7953  171.850   67.108  171.850   67.108   0.0000   0.0000   12.714   2.7953  ?   ?       ?      ? 
1 1 1    0   65    3 o   9.4931   3.1423   91.901   67.421   91.901   67.421   0.0000   0.0000   9.4931   3.1423  ?   ?       ?      ? 
1 1 1    0   65    4 o   41.175   1.0722  1660.56   85.702  1660.56   85.702   0.0000   0.0000   41.175   1.0722  ?   ?       ?      ? 
1 1 1    0   65    5 f   19.199   1.8829  368.214   70.173  368.214   70.173   0.0000   0.0000   19.199   1.8829  ?   ?       ?      ? 
1 1 1    0   65    6 o   8.8702   3.2020   74.064   70.642   74.064   70.642   0.0000   0.0000   8.8702   3.2020  ?   ?       ?      ? 
1 1 1    0   65    7 o   37.028   1.1748  1347.12   84.446  1347.12   84.446   0.0000   0.0000   37.028   1.1748  ?   ?       ?      ? 
1 1 1    0   65    8 o   14.700   2.7636  230.508   75.963  230.508   75.963   0.0000   0.0000   14.700   2.7636  ?   ?       ?      ? 
1 1 1    0   65    9 o   7.4884   2.2673   13.629   58.024   29.701   72.613 -14.7621   96.510   7.5254   3.0936   7.4513   3.3154 0.7414150E-01 4.534599 
1 1 1    0   65   10 o   7.1862   2.2655 -11.0065   56.577 -17.4836   65.839   7.2793  110.624   6.0887   2.7216   8.2837   3.6224 -2.195004 4.530902 
1 1 1    0   65   11 o   9.2375   2.5343   59.897   60.294   30.944   71.322  132.416  112.877   7.4475   3.0643   11.028   4.0373 -3.580114 5.068546 
1 1 1    0   65   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   66    0 o   15.373   3.4605  249.638  100.776  249.638  100.776   0.0000   0.0000   15.373   3.4605  ?   ?       ?      ? 
1 1 1    0   66    1 o   8.4355   3.1358   62.610   68.541   62.610   68.541   0.0000   0.0000   8.4355   3.1358  ?   ?       ?      ? 
1 1 1    0   66    2 o   15.582   2.3594  246.949   71.366  246.949   71.366   0.0000   0.0000   15.582   2.3594  ?   ?       ?      ? 
1 1 1    0   66    3 o   17.417   2.1189  305.975   71.638  305.975   71.638   0.0000   0.0000   17.417   2.1189  ?   ?       ?      ? 
1 1 1    0   66    4 o   9.0625   3.2487   79.024   72.579   79.024   72.579   0.0000   0.0000   9.0625   3.2487  ?   ?       ?      ? 
1 1 1    0   66    5 o   15.861   2.2472  255.485   69.187  255.485   69.187   0.0000   0.0000   15.861   2.2472  ?   ?       ?      ? 
1 1 1    0   66    6 o   7.4924   3.0759   29.215   71.659   29.215   71.659   0.0000   0.0000   7.4924   3.0759  ?   ?       ?      ? 
1 1 1    0   66    7 o   4.8792   2.3769 -119.1454   72.592 -119.1454   72.592   0.0000   0.0000   4.8792   2.3769  ?   ?       ?      ? 
1 1 1    0   66    8 o   16.569   2.1824  279.910   70.194  279.910   70.194   0.0000   0.0000   16.569   2.1824  ?   ?       ?      ? 
1 1 1    0   66    9 o   10.798   3.2637  129.950   74.205  129.950   74.205   0.0000   0.0000   10.798   3.2637  ?   ?       ?      ? 
1 1 1    0   66   10 o   14.311   2.4196  242.867   64.892  265.251   78.145  193.144  116.469   15.925   2.5279   12.697   4.1265 3.227937 4.839253 
1 1 1    0   67    1 f   14.074   2.6321  210.264   69.267  210.264   69.267   0.0000   0.0000   14.074   2.6321  ?   ?       ?      ? 
1 1 1    0   67    2 o   12.872   2.8401  178.955   69.062  178.955   69.062   0.0000   0.0000   12.872   2.8401  ?   ?       ?      ? 
1 1 1    0   67    3 o   22.189   1.7093  491.517   73.624  491.517   73.624   0.0000   0.0000   22.189   1.7093  ?   ?       ?      ? 
1 1 1    0   67    4 f   25.719   1.5498  657.462   77.371  657.462   77.371   0.0000   0.0000   25.719   1.5498  ?   ?       ?      ? 
1 1 1    0   67    5 o   19.089   1.9834  368.129   73.495  368.129   73.495   0.0000   0.0000   19.089   1.9834  ?   ?       ?      ? 
1 1 1    0   67    6 o   20.080   1.8595  406.068   72.478  406.068   72.478   0.0000   0.0000   20.080   1.8595  ?   ?       ?      ? 
1 1 1    0   67    7 o   16.710   2.2903  287.440   74.291  287.440   74.291   0.0000   0.0000   16.710   2.2903  ?   ?       ?      ? 
1 1 1    0   67    8 o   11.119   3.2178  139.202   73.422  139.202   73.422   0.0000   0.0000   11.119   3.2178  ?   ?       ?      ? 
1 1 1    0   68    0 o   29.753   1.8725  875.542  108.148  875.542  108.148   0.0000   0.0000   29.753   1.8725  ?   ?       ?      ? 
1 1 1    0   68    1 o   9.5869   3.2111   97.346   70.358   97.346   70.358   0.0000   0.0000   9.5869   3.2111  ?   ?       ?      ? 
1 1 1    0   68    2 o   7.8125   3.0834   45.582   69.004   45.582   69.004   0.0000   0.0000   7.8125   3.0834  ?   ?       ?      ? 
1 1 1    0   68    3 f   16.415   2.2457  276.405   71.558  276.405   71.558   0.0000   0.0000   16.415   2.2457  ?   ?       ?      ? 
1 1 1    0   68    4 o   12.201   3.0665  165.924   72.544  165.924   72.544   0.0000   0.0000   12.201   3.0665  ?   ?       ?      ? 
1 1 1    0   68    5 o   23.123   1.5990  534.874   71.773  534.874   71.773   0.0000   0.0000   23.123   1.5990  ?   ?       ?      ? 
1 1 1    0   68    6 o   4.9539   2.3932 -97.3898   69.662 -97.3898   69.662   0.0000   0.0000   4.9539   2.3932  ?   ?       ?      ? 
1 1 1    0   69    1 o   7.7244   3.1032   41.826   71.115   41.826   71.115   0.0000   0.0000   7.7244   3.1032  ?   ?       ?      ? 
1 1 1    0   69    2 o   16.175   2.2806  270.118   71.608  270.118   71.608   0.0000   0.0000   16.175   2.2806  ?   ?       ?      ? 
1 1 1    1    0    0 f  104.496   1.2578 10596.00  254.794 10250.50  352.416 10974.39  368.809  102.713   1.7687  106.280   1.7888 -0.000000 0.000000 
1 1 1    1    0    1 o   64.248   0.7401  4016.36   91.904  4093.17  125.418  3927.30  135.062   64.915   0.9958   63.580   1.0951 -0.000000 0.000000 
1 1 1    1    0    2 o   87.634   0.8832  7458.49  150.173  7411.69  211.068  7506.48  213.710   87.356   1.2453   87.913   1.2529 -0.000000 0.000000 
1 1 1    1    0    3 o  109.540   2.2762 11664.08  483.525   0.0000   0.0000 11664.08  483.525  109.540   2.2762  109.540   2.2762 -0.000000 0.000000 
1 1 1    1    0    4 o   74.505   0.7904  5391.48  114.254  5411.01  162.048  5372.17  161.116   74.639   1.1190   74.370   1.1166 -0.000000 0.000000 
1 1 1    1    0    5 o   41.383   0.5185  1663.87   41.613  1660.01   59.503  1667.57   58.217   41.336   0.7421   41.431   0.7244 -0.000000 0.000000 
1 1 1    1    0    6 o  369.769   1.8447 132703.30  1323.46 130862.60  1842.57 134665.09  1902.17  367.122   2.5858  372.416   2.6315 -0.000000 0.000000 
1 1 1    1    0    7 o  220.041   1.4514 47014.86  619.838 47092.75  877.720 46937.36  875.452  220.222   2.0536  219.859   2.0517 -0.000000 0.000000 
1 1 1    1    0    8 o   49.795   0.6221  2407.66   60.069  2460.92   86.314  2357.63   83.651   50.329   0.8841   49.261   0.8754 -0.000000 0.000000 
1 1 1    1    0    9 o   30.903   0.5678  926.932   33.963  963.395   49.643  894.848   46.566   31.473   0.8138   30.332   0.7921 -0.000000 0.000000 
1 1 1    1    0   10 o  219.117   1.4810 46626.42  629.820 46569.71  889.485 46683.45  891.920  218.984   2.0929  219.251   2.0961 -0.000000 0.000000 
1 1 1    1    0   11 o  127.550   1.1814 15800.37  292.399 15815.60  414.393 15785.27  412.642  127.611   1.6735  127.489   1.6680 -0.000000 0.000000 
1 1 1    1    0   12 o   33.930   0.6866  1119.78   45.096  1112.24   62.322  1128.06   65.337   33.811   0.9512   34.048   0.9905 -0.000000 0.000000 
1 1 1    1    0   13 o  292.656   1.6652 83156.56  945.861 83872.88  1343.36 82452.30  1332.01  293.906   2.3549  291.406   2.3551 -0.000000 0.000000 
1 1 1    1    0   14 o  281.528   1.6686 76956.04  911.694 76466.95  1283.07 77454.81  1295.68  280.625   2.3557  282.431   2.3637 -0.000000 0.000000 
1 1 1    1    0   15 o   48.936   0.8035  2325.06   76.144  2267.51  104.714  2389.62  110.921   48.294   1.1183   49.577   1.1540 -0.000000 0.000000 
1 1 1    1    0   16 o  266.995   1.6737 69225.13  867.293 68964.45  1222.36 69489.39  1230.76  266.489   2.3634  267.501   2.3706 -0.000000 0.000000 
1 1 1    1    0   17 o  127.132   1.2469 15685.68  307.450 15206.30  427.172 16200.90  442.852  125.117   1.7596  129.146   1.7672 -0.000000 0.000000 
1 1 1    1    0   18 o   64.012   0.9215  3982.73  114.393  3999.11  161.748  3966.35  161.806   64.144   1.3002   63.880   1.3061 -0.000000 0.000000 
1 1 1    1    0   19 o  230.392   1.6419 51568.14  734.153 51604.21  1037.22 51531.91  1039.28  230.473   2.3189  230.311   2.3252 -0.000000 0.000000 
1 1 1    1    0   20 o   37.161   1.0262  1355.90   73.255  1465.25  100.821  1233.62  106.617   38.779   1.3430   35.542   1.5520 -0.000000 0.000000 
1 1 1    1    0   21 f  132.187   1.3472 16977.18  345.464 17443.44  493.636 16529.63  483.637  133.967   1.8991  130.408   1.9114 -0.000000 0.000000 
1 1 1    1    0   22 o  274.353   3.3386 73494.56  1776.47 72139.85  2481.49 74918.73  2544.32  271.764   4.7070  276.943   4.7359 -0.000000 0.000000 
1 1 1    1    0   23 o   57.965   0.9798  3264.08  110.024  3396.28  159.272  3143.42  152.167   59.088   1.3903   56.843   1.3809 -0.000000 0.000000 
1 1 1    1    0   24 o   82.525   1.1588  6622.73  185.431  6427.75  260.454  6823.15  264.061   81.290   1.6521   83.759   1.6255 -0.000000 0.000000 
1 1 1    1    0   25 o  121.427   1.5505 14350.12  365.153 14540.59  522.048 14167.68  510.940  122.215   2.2021  120.639   2.1834 -0.000000 0.000000 
1 1 1    1    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   27 o   41.483   1.2113  1683.10   97.068  1628.35  138.674  1735.69  135.916   40.810   1.7579   42.155   1.6668 -0.000000 0.000000 
1 1 1    1    0   28 o   32.652   1.4879  1051.85   93.341  1018.87  132.876  1083.98  131.150   32.128   2.1528   33.176   2.0546 -0.000000 0.000000 
1 1 1    1    0   29 o   12.675   3.4164  217.432   85.180  287.643  120.013  146.156  120.919   15.369   4.6160   9.9804   5.0379 -0.000000 0.000000 
1 1 1    1    0   30 o   8.8508   3.3954  107.154   85.779   57.369  124.329  152.383  118.502   7.5632   4.5820   10.138   5.0121 -0.000000 0.000000 
1 1 1    1    0   31 o   13.108   3.5638  235.704   85.830  239.410  121.936  232.064  120.836   13.239   5.0414   12.977   5.0384 -0.000000 0.000000 
1 1 1    1    0   32 o   7.9346   3.1066   40.628   86.553 -100.0587  123.247  177.532  121.579   5.0784   3.5309   10.791   5.1125 -0.000000 0.000000 
1 1 1    1    0   33 o   35.752   1.4423  1249.48   98.338  1442.50  152.979  1113.55  128.376   38.064   2.0847   33.441   1.9939 -0.000000 0.000000 
1 1 1    1    0   34 o   27.573   1.8944  771.941   97.839  938.089  148.016  643.020  130.384   30.304   2.5582   24.842   2.7948 -0.000000 0.000000 
1 1 1    1    1    0 o   65.354   0.6392  4149.81   78.141  4160.76   98.233  4130.95  128.948   65.472   0.7729   65.235   1.0183 0.2365875 1.278400 
1 1 1    1    1    1 o  236.353   1.5135 53942.76  678.310 55640.29  1089.92 52869.63  866.586  239.360   2.3457  233.347   1.9131 6.012970 3.026961 
1 1 1    1    1    2 o  135.296   1.0192 17763.37  257.057 17745.57  321.399 17794.98  428.243  135.206   1.2246  135.387   1.6295 -0.1804962 2.038329 
1 1 1    1    1    3 o  189.164   1.1097 34717.56  404.926 34928.13  608.532 34550.25  542.451  189.676   1.6527  188.652   1.4813 1.023819 2.219400 
1 1 1    1    1    4 o  202.717   1.1195 39827.57  437.827 40476.86  659.084 39314.73  585.744  204.192   1.6628  201.243   1.4994 2.948517 2.238998 
1 1 1    1    1    5 o   78.244   0.5848  5942.16   88.816  5897.42  125.243  5987.41  125.969   77.948   0.8277   78.541   0.8262 -0.5924835 1.169525 
1 1 1    1    1    6 o  333.967   1.2769 108270.80  827.773 107589.40  1164.38 108967.10  1177.02  332.905   1.8018  335.030   1.8098 -2.124451 2.553811 
1 1 1    1    1    7 o  357.222   1.3044 123892.60  904.542 123956.20  1279.69 123829.10  1278.74  357.313   1.8450  357.130   1.8446 0.1832886 2.608891 
1 1 1    1    1    8 o  161.491   0.9164 25318.98  287.264 25247.16  405.226 25391.53  407.286  161.260   1.2945  161.721   1.2974 -0.4602814 1.832745 
1 1 1    1    1    9 o   80.482   0.6176  6287.43   96.493  6318.60  136.744  6256.52  136.182   80.680   0.8731   80.283   0.8738 0.3973083 1.235288 
1 1 1    1    1   10 o  265.094   1.1125 68223.04  572.474 68975.39  814.593 67488.86  804.700  266.538   1.5744  263.650   1.5723 2.887695 2.225071 
1 1 1    1    1   11 o  255.598   1.1076 63421.94  549.545 63500.75  777.273 63343.16  777.074  255.757   1.5656  255.440   1.5671 0.3175812 2.215184 
1 1 1    1    1   12 o  178.032   0.9805 30766.95  338.847 30797.88  479.362 30736.06  479.042  178.122   1.3864  177.943   1.3868 0.1788483 1.960966 
1 1 1    1    1   13 o  273.489   1.1534 72610.19  612.322 72629.35  865.202 72590.97  866.708  273.526   1.6295  273.453   1.6328 0.7235718E-01 2.306774 
1 1 1    1    1   14 o   31.798   0.5743  981.430   35.442  956.682   49.944  1006.54   50.303   31.395   0.8195   32.202   0.8047 -0.8076591 1.148561 
1 1 1    1    1   15 o  191.969   1.0359 35775.00  386.028 35621.38  544.527 35930.21  547.335  191.555   1.4644  192.384   1.4656 -0.8285370 2.071836 
1 1 1    1    1   16 o  156.866   0.9960 23903.73  302.811 23596.63  439.385 24181.54  417.901  155.904   1.4518  157.827   1.3640 -1.922516 1.992100 
1 1 1    1    1   17 o  129.322   0.8862 16235.45  222.457 16129.76  313.610 16342.49  315.602  128.898   1.2534  129.745   1.2531 -0.8472137 1.772332 
1 1 1    1    1   18 o   34.460   0.8303  1130.36   53.467  1074.12   66.346  1234.57   90.304   33.263   1.0275   35.658   1.3046 -2.395424 1.660675 
1 1 1    1    1   19 o  102.207   0.8219 10140.81  163.046 10027.53  228.837 10257.61  232.367  101.627   1.1600  102.786   1.1646 -1.159149 1.643726 
1 1 1    1    1   20 o  109.800   0.8723 11713.93  185.470 11611.91  271.203 11803.56  254.209  109.348   1.2777  110.251   1.1878 -0.9029388 1.744506 
1 1 1    1    1   21 o  101.559   0.8188 10016.50  161.428  9954.10  227.632 10079.63  228.961  101.241   1.1583  101.878   1.1578 -0.6364059 1.637679 
1 1 1    1    1   22 o  152.880   1.0446 22709.32  310.013 22740.88  438.827 22677.88  438.024  152.986   1.4777  152.774   1.4770 0.2119751 2.089270 
1 1 1    1    1   23 o  104.990   0.8797 10708.86  179.277 10721.96  253.528 10695.75  253.543  105.054   1.2432  104.926   1.2448 0.1286392 1.759306 
1 1 1    1    1   24 o  104.141   0.9355 10539.15  189.106 10497.18  267.655 10580.98  267.218  103.933   1.3266  104.348   1.3192 -0.4147034 1.870918 
1 1 1    1    1   25 o   40.174   0.8346  1568.49   65.077  1598.87   91.932  1537.98   92.133   40.564   1.1675   39.783   1.1930 0.7809105 1.669251 
1 1 1    1    1   26 o   93.106   0.9034  8424.80  163.253  8614.50  233.173  8242.39  228.643   94.134   1.2760   92.078   1.2792 2.055916 1.806827 
1 1 1    1    1   27 o   57.788   0.7778  3245.81   87.244  3252.92  124.109  3238.87  122.666   57.850   1.1052   57.726   1.0947 0.1242790 1.555552 
1 1 1    1    1   28 o   14.427   2.2141  212.633   60.178  218.228   87.232  207.552   83.124   14.606   3.1679   14.248   3.0940 0.3573751 4.428147 
1 1 1    1    1   29 o   43.175   0.8616  1813.46   72.117  1945.68  103.681  1689.53  100.377   44.701   1.1949   41.649   1.2415 3.051659 1.723129 
1 1 1    1    1   30 o   46.133   0.8418  2073.69   75.340  2178.99  107.845  1973.31  105.293   47.279   1.1751   44.987   1.2057 2.291775 1.683614 
1 1 1    1    1   31 o   30.975   1.1035  941.851   66.306  985.305   94.052  898.912   93.492   31.693   1.5288   30.258   1.5917 1.434734 2.206973 
1 1 1    1    1   32 o   26.271   1.2507  683.607   63.690  668.697   91.957  697.354   88.296   25.980   1.8234   26.563   1.7124 -0.5827236 2.501414 
1 1 1    1    1   33 o   12.515   2.4452  169.285   64.087  105.822   89.304  236.671   92.022   10.280   3.6120   14.750   3.2969 -4.469161 4.890404 
1 1 1    1    1   34 o   23.799   1.4823  574.878   68.149  510.262   96.057  640.363   96.701   22.394   2.2096   25.204   1.9765 -2.809311 2.964654 
1 1 1    1    2    0 o  237.864   1.9160 53914.39  756.379 56976.74  1562.54 52977.20  864.405  242.144   3.3242  233.583   1.9064 8.560501 3.832078 
1 1 1    1    2    1 f  125.443   0.9512 15318.50  230.665 14737.75  338.191 15823.68  315.418  123.212   1.4140  127.673   1.2727 -4.461189 1.902388 
1 1 1    1    2    2 o  473.069   1.3736 216985.91  1259.06 212575.91  1721.47 222058.41  1846.22  467.913   1.8953  478.227   1.9888 -10.31403 2.747225 
1 1 1    1    2    3 o  122.773   0.8788 14570.63  204.807 14344.67  262.431 14922.65  327.558  121.563   1.1121  123.984   1.3610 -2.420998 1.757588 
1 1 1    1    2    4 f  132.506   0.8120 17041.53  208.844 16894.03  293.558 17192.68  297.177  131.925   1.1463  133.086   1.1503 -1.160904 1.623958 
1 1 1    1    2    5 o   30.919   0.3729  931.786   21.381  914.711   35.869  941.197   26.629   30.699   0.6019   31.140   0.4405 -0.4413967 0.7458981 
1 1 1    1    2    6 o  187.258   0.9650 34035.62  350.755 33619.23  493.495 34460.71  498.628  186.101   1.3661  188.416   1.3633 -2.314667 1.929955 
1 1 1    1    2    7 o  147.428   0.8758 21098.74  250.645 21064.38  353.885 21133.33  355.048  147.308   1.2376  147.549   1.2396 -0.2408600 1.751638 
1 1 1    1    2    8 o  129.576   0.8154 16299.75  205.091 16299.70  290.148 16299.79  289.937  129.576   1.1535  129.576   1.1527 -0.3814697E-03 1.630749 
1 1 1    1    2    9 o  208.437   1.0241 42178.48  414.356 41733.52  583.286 42631.80  588.727  207.328   1.4493  209.547   1.4473 -2.219498 2.048227 
1 1 1    1    2   10 o   49.448   0.4637  2373.09   44.510  2390.57   63.369  2356.06   62.534   49.627   0.6578   49.268   0.6539 0.3594818 0.9274838 
1 1 1    1    2   11 o  366.406   1.3586 130344.10  966.296 130288.10  1365.90 130400.10  1367.20  366.327   1.9208  366.485   1.9218 -0.1572876 2.717145 
1 1 1    1    2   12 o  222.857   1.0675 48210.48  461.820 48401.68  654.791 48021.23  651.446  223.296   1.5106  222.417   1.5088 0.8792725 2.135090 
1 1 1    1    2   13 o  167.702   0.9653 27300.30  314.257 27306.54  444.816 27294.09  444.039  167.721   1.3662  167.683   1.3642 0.3819275E-01 1.930694 
1 1 1    1    2   14 o  169.845   0.9904 28000.69  326.528 28314.53  464.330 27693.64  459.272  170.786   1.4006  168.904   1.4008 1.882935 1.980852 
1 1 1    1    2   15 o   42.048   0.7069  1697.72   54.495  1771.84   95.009  1661.38   66.525   42.724   1.1456   41.372   0.8284 1.351898 1.413708 
1 1 1    1    2   16 o   94.924   0.7435  8746.30  136.990  8786.78  194.393  8706.36  193.080   95.142   1.0526   94.705   1.0503 0.4364014 1.486915 
1 1 1    1    2   17 o   93.525   0.7380  8490.66  133.979  8559.36  190.225  8423.02  188.732   93.901   1.0436   93.150   1.0438 0.7508850 1.475983 
1 1 1    1    2   18 o  171.529   1.0641 28551.20  353.294 28832.24  520.831 28311.66  480.829  172.307   1.5571  170.751   1.4507 1.556488 2.128163 
1 1 1    1    2   19 o   45.345   0.6404  1995.99   56.363  2044.92   80.025  1947.82   79.398   45.896   0.8982   44.793   0.9131 1.103054 1.280856 
1 1 1    1    2   20 o   31.717   0.7808  974.587   47.992  1056.36   69.574  900.352   66.288   32.984   1.0866   30.450   1.1214 2.533283 1.561542 
1 1 1    1    2   21 o  149.363   1.1653 21677.80  336.900 21691.57  495.607 21665.98  459.353  149.401   1.7089  149.326   1.5847 0.7489014E-01 2.330587 
1 1 1    1    2   22 o  113.726   1.0461 12498.10  221.304 12330.52  275.106 12805.41  372.537  112.669   1.2579  114.783   1.6720 -2.114624 2.092285 
1 1 1    1    2   23 o  148.414   1.1317 21412.22  326.037 21370.20  459.410 21454.85  462.780  148.268   1.5962  148.560   1.6047 -0.2921448 2.263422 
1 1 1    1    2   24 o   90.289   0.8624  7904.07  150.904  8197.04  221.117  7648.67  206.457   91.850   1.2402   88.728   1.1987 3.122391 1.724774 
1 1 1    1    2   25 o  112.572   1.0290 12318.71  224.822 12492.15  321.271 12152.26  314.724  113.347   1.4601  111.796   1.4502 1.551292 2.057959 
1 1 1    1    2   26 o   68.351   0.7863  4540.10  104.331  4538.17  147.418  4542.04  147.674   68.337   1.1113   68.366   1.1128 -0.2906036E-01 1.572642 
1 1 1    1    2   27 o   50.657   0.7976  2494.58   78.426  2514.54  110.515  2474.34  111.312   50.862   1.1193   50.452   1.1366 0.4093590 1.595220 
1 1 1    1    2   28 o   47.564   0.8321  2200.73   76.827  2227.72  108.622  2173.71  108.678   47.856   1.1693   47.271   1.1843 0.5850296 1.664288 
1 1 1    1    2   29 o   18.783   1.6972  349.780   61.190  292.570   87.010  405.762   86.070   17.229   2.6016   20.336   2.1803 -3.107151 3.394437 
1 1 1    1    2   30 o   38.634   0.9198  1455.68   68.959  1500.67   98.701  1412.77   96.385   39.217   1.2965   38.050   1.3049 1.167191 1.839516 
1 1 1    1    2   31 o   33.390   1.0279  1092.84   66.512  1011.77   93.326  1176.53   94.817   32.122   1.4967   34.659   1.4093 -2.536839 2.055805 
1 1 1    1    2   32 o   12.116   2.4550  157.065   61.375  186.140   86.959  128.206   86.636   13.143   3.3872   11.089   3.5546 2.053451 4.910074 
1 1 1    1    2   33 o   22.868   1.5211  526.074   67.518  530.718   95.305  521.396   95.667   22.974   2.1370   22.761   2.1652 0.2131557 3.042201 
1 1 1    1    2   34 o   17.018   1.9466  302.087   64.284  312.988   91.794  291.596   90.053   17.329   2.7288   16.706   2.7769 0.6230831 3.893244 
1 1 1    1    3    0 o  208.045   1.4887 42103.86  588.892 42405.66  761.257 41654.11  929.291  208.985   1.8765  207.105   2.3115 1.879745 2.977308 
1 1 1    1    3    1 o  233.600   1.3529 52976.05  613.421 53732.05  873.436 52240.24  861.701  235.245   1.9127  231.956   1.9138 3.288681 2.705709 
1 1 1    1    3    2 o   69.887   0.5423  4739.87   73.562  4805.86  104.971  4676.19  103.118   70.365   0.7685   69.409   0.7653 0.9557571 1.084593 
1 1 1    1    3    3 o   65.301   0.5842  4115.31   71.554  4048.80   89.880  4230.40  118.239   64.585   0.7169   66.017   0.9227 -1.431343 1.168445 
1 1 1    1    3    4 o   74.709   0.6363  5398.92   89.411  5343.36  112.938  5492.21  146.354   74.196   0.7841   75.221   1.0023 -1.025307 1.272588 
1 1 1    1    3    5 f  182.679   0.9520 32391.80  337.575 32626.08  479.180 32160.98  475.645  183.335   1.3464  182.024   1.3461 1.311447 1.903944 
1 1 1    1    3    6 o  220.803   1.0650 47347.83  455.232 47049.19  667.941 47606.87  622.091  220.152   1.5630  221.455   1.4471 -1.303574 2.130030 
1 1 1    1    3    7 o   73.214   0.5605  5202.97   79.661  5192.66  112.430  5213.35  112.888   73.142   0.7919   73.287   0.7935 -0.1455536 1.121036 
1 1 1    1    3    8 o   17.894   0.4460  310.791   15.455  339.755   22.106  283.100   21.615   18.709   0.6087   17.078   0.6520 1.631056 0.8919843 
1 1 1    1    3    9 o  125.219   0.8060 15220.58  195.902 15130.71  275.255 15312.82  278.876  124.845   1.1358  125.594   1.1439 -0.7489090 1.611979 
1 1 1    1    3   10 o  227.394   1.0622 50199.21  468.851 50490.32  666.108 49913.38  660.044  228.048   1.5047  226.741   1.4996 1.306458 2.124380 
1 1 1    1    3   11 o  370.231   1.3623 133075.41  979.015 133569.20  1390.76 132590.30  1378.40  370.912   1.9316  369.551   1.9215 1.361145 2.724543 
1 1 1    1    3   12 o  201.206   1.0335 39298.42  403.643 39227.88  570.012 39369.37  571.667  201.025   1.4607  201.387   1.4623 -0.3621826 2.066914 
1 1 1    1    3   13 o  140.187   0.8829 19076.31  240.273 18968.66  339.154 19184.77  340.443  139.790   1.2498  140.584   1.2475 -0.7940674 1.765893 
1 1 1    1    3   14 o  258.069   1.1479 64649.28  575.002 65323.14  817.486 63989.45  808.934  259.400   1.6235  256.739   1.6231 2.661713 2.295703 
1 1 1    1    3   15 o   81.363   0.6698  6418.38  105.725  6635.81  152.909  6219.22  146.343   82.682   0.9527   80.045   0.9418 2.637360 1.339662 
1 1 1    1    3   16 o  216.048   1.1946 45313.43  500.965 45654.54  713.985 44982.65  703.083  216.848   1.6962  215.247   1.6827 1.601044 2.389233 
1 1 1    1    3   17 o  167.099   1.0110 27109.17  327.930 27149.75  463.630 27068.55  463.896  167.225   1.4283  166.974   1.4312 0.2503662 2.021955 
1 1 1    1    3   18 o   55.311   0.6343  2968.22   68.084  3036.14   97.795  2904.34   94.843   55.925   0.9008   54.697   0.8932 1.227173 1.268624 
1 1 1    1    3   19 o   84.229   0.7548  6887.49  123.409  6917.77  175.231  6857.69  173.832   84.412   1.0694   84.045   1.0655 0.3673325 1.509602 
1 1 1    1    3   20 o  103.948   0.8185 10489.82  165.122 10611.01  236.487 10374.54  230.658  104.534   1.1654  103.363   1.1496 1.170647 1.636992 
1 1 1    1    3   21 o   72.374   0.6995  5081.16   98.213  5225.18  141.956  4948.92  136.023   73.357   0.9969   71.391   0.9815 1.965103 1.398997 
1 1 1    1    3   22 o   83.891   0.7803  6835.36  127.061  6788.18  180.489  6881.71  178.904   83.604   1.1121   84.178   1.0949 -0.5747681 1.560626 
1 1 1    1    3   23 o   75.121   0.7408  5479.92  108.016  5549.15  154.181  5413.18  151.371   75.587   1.0508   74.656   1.0445 0.9315491 1.481616 
1 1 1    1    3   24 o  135.563   1.1118 17863.04  292.273 17767.59  403.873 17968.00  423.497  135.188   1.5390  135.938   1.6049 -0.7504578 2.223556 
1 1 1    1    3   25 o   69.337   0.7707  4669.56  103.704  4732.74  148.538  4609.48  144.852   69.794   1.0964   68.880   1.0833 0.9140701 1.541317 
1 1 1    1    3   26 o  105.178   0.9816 10758.00  200.415 10801.25  283.890 10715.04  282.970  105.389   1.3877  104.968   1.3887 0.4215698 1.963220 
1 1 1    1    3   27 o   26.592   1.1851  688.896   61.144  713.552   86.377  664.134   86.564   27.071   1.6437   26.113   1.7077 0.9575481 2.370261 
1 1 1    1    3   28 o   57.820   0.7916  3250.90   88.840  3282.16  126.878  3220.82  124.435   58.093   1.1251   57.548   1.1139 0.5442581 1.583251 
1 1 1    1    3   29 o   62.493   0.7939  3801.60   96.310  3781.44  136.387  3821.65  136.020   62.327   1.1273   62.659   1.1183 -0.3319321 1.587871 
1 1 1    1    3   30 o   16.124   2.0284  263.684   61.885  236.199   87.567  291.108   87.469   15.117   3.0885   17.132   2.6302 -2.015174 4.056711 
1 1 1    1    3   31 o   86.432   0.8843  7303.37  148.364  7304.93  209.834  7301.81  209.803   86.441   1.2505   86.423   1.2506 0.1851654E-01 1.768552 
1 1 1    1    3   32 o   26.554   1.2505  697.848   64.329  642.155   90.193  755.517   91.779   25.459   1.8250   27.649   1.7100 -2.190247 2.500975 
1 1 1    1    3   33 o   31.341   1.1688  972.690   71.056  927.663   98.547  1021.45  102.548   30.584   1.6599   32.098   1.6458 -1.514553 2.337519 
1 1 1    1    3   34 o   9.0825   2.5057   67.572   64.122   83.450   90.390   51.486   90.978   9.5003   3.5870   8.6647   3.4997 0.8355513 5.011377 
1 1 1    1    4    0 o  203.155   1.4848 40205.86  574.023 40752.36  744.455 39404.49  901.480  204.872   1.8719  201.438   2.3054 3.434509 2.969692 
1 1 1    1    4    1 o  375.975   1.4747 137198.30  1075.88 139309.09  1547.01 135221.00  1497.27  378.774   2.1040  373.177   2.0669 5.596313 2.949395 
1 1 1    1    4    2 o  201.314   1.3425 39346.39  524.597 39010.89  738.107 39688.85  745.737  200.447   1.8969  202.181   1.9001 -1.734131 2.684924 
1 1 1    1    4    3 o  284.100   1.2180 78362.12  671.719 78570.77  951.276 78154.62  948.638  284.478   1.7226  283.723   1.7224 0.7543335 2.436025 
1 1 1    1    4    4 o  238.919   1.1978 55412.52  555.534 55345.59  784.725 55479.77  786.565  238.774   1.6930  239.064   1.6949 -0.2892303 2.395662 
1 1 1    1    4    5 o  300.935   1.2466 87876.90  728.045 86414.11  1015.56 89423.54  1044.26  298.360   1.7535  303.510   1.7724 -5.150299 2.493233 
1 1 1    1    4    6 o  223.572   1.0710 48510.31  463.470 48366.25  631.320 48678.73  682.566  223.214   1.4570  223.931   1.5702 -0.7171631 2.142086 
1 1 1    1    4    7 o  223.301   1.0771 48425.18  465.603 48193.11  683.364 48626.26  636.098  222.800   1.5801  223.803   1.4642 -1.003403 2.154155 
1 1 1    1    4    8 o   88.782   0.6482  7648.67  111.691  7463.98  156.331  7841.24  159.631   87.687   0.9184   89.876   0.9150 -2.188751 1.296413 
1 1 1    1    4    9 o  141.299   0.8579 19382.31  235.309 19387.00  332.552 19377.62  333.002  141.316   1.2123  141.282   1.2142 0.3427124E-01 1.715794 
1 1 1    1    4   10 o   75.729   0.7753  5565.61  113.950  5641.04  162.919  5493.36  159.438   76.231   1.1010   75.227   1.0918 1.004387 1.550558 
1 1 1    1    4   11 o  158.987   0.9303 24536.24  287.119 24672.69  407.052 24401.13  405.050  159.427   1.3153  158.547   1.3161 0.8798065 1.860671 
1 1 1    1    4   12 f  185.437   1.0011 33378.20  360.356 33127.24  507.668 33633.04  511.595  184.734   1.4157  186.139   1.4159 -1.404953 2.002211 
1 1 1    1    4   13 o   74.819   0.6222  5430.69   90.342  5284.73  126.118  5584.53  129.475   73.787   0.8805   75.851   0.8793 -2.064102 1.244398 
1 1 1    1    4   14 o   39.504   0.6625  1504.02   47.805  1546.41   83.680  1483.48   58.246   39.914   1.0800   39.094   0.7675 0.8195992 1.324962 
1 1 1    1    4   15 o  129.888   0.8596 16376.00  216.740 16524.87  307.940 16229.85  305.112  130.473   1.2159  129.303   1.2156 1.169861 1.719286 
1 1 1    1    4   16 o  367.309   1.3970 131008.00  990.343 131024.60  1331.11 130987.50  1482.14  367.344   1.8667  367.274   2.0789 0.6948853E-01 2.794002 
1 1 1    1    4   17 o  180.937   1.0334 31785.46  362.970 31862.18  513.576 31708.88  513.058  181.155   1.4605  180.719   1.4625 0.4364014 2.066850 
1 1 1    1    4   18 f   43.550   0.6420  1840.78   54.267  1809.31   76.072  1873.38   77.437   43.172   0.9077   43.929   0.9081 -0.7576675 1.283985 
1 1 1    1    4   19 o  101.844   0.7943 10067.97  157.020 10256.96  223.979  9885.33  220.190  102.784   1.1226  100.905   1.1241 1.879280 1.588671 
1 1 1    1    4   20 o   79.671   0.7490  6163.78  115.818  6203.13  162.911  6123.57  164.685   79.929   1.0500   79.414   1.0683 0.5147858 1.497913 
1 1 1    1    4   21 o   88.316   0.7594  7571.94  130.170  7452.78  182.031  7696.65  186.217   87.606   1.0704   89.027   1.0775 -1.421432 1.518835 
1 1 1    1    4   22 o   92.796   0.7836  8360.93  141.130  8482.10  201.688  8244.68  197.552   93.454   1.1118   92.137   1.1045 1.316818 1.567174 
1 1 1    1    4   23 o  148.003   1.1011 21298.20  316.073 21440.47  438.684 21144.61  455.795  148.522   1.5216  147.484   1.5921 1.038254 2.202249 
1 1 1    1    4   24 o   63.077   0.7493  3865.07   91.741  3831.73  130.140  3897.99  129.348   62.807   1.0674   63.348   1.0519 -0.5414581 1.498606 
1 1 1    1    4   25 o   43.516   0.8051  1839.62   68.002  1870.59   97.034  1809.72   95.328   43.876   1.1393   43.157   1.1379 0.7197189 1.610216 
1 1 1    1    4   26 o   87.507   0.8668  7440.11  147.202  7299.55  205.040  7589.61  211.457   86.656   1.2189   88.359   1.2328 -1.703377 1.733683 
1 1 1    1    4   27 o   70.929   0.7977  4889.54  109.808  5027.75  156.312  4754.88  154.291   71.919   1.1197   69.938   1.1365 1.980446 1.595368 
1 1 1    1    4   28 o   77.896   0.8321  5901.63  125.802  5837.00  176.256  5968.76  179.612   77.462   1.1722   78.330   1.1812 -0.8680420 1.664127 
1 1 1    1    4   29 o   25.397   1.3210  630.935   65.091  659.697   92.884  603.180   91.243   25.968   1.8426   24.826   1.8934 1.142708 2.641963 
1 1 1    1    4   30 o   45.232   0.8692  1995.44   76.291  1929.03  107.530  2062.74  108.258   44.471   1.2456   45.993   1.2126 -1.521378 1.738353 
1 1 1    1    4   31 o   21.471   1.5489  458.569   64.393  427.928   91.938  488.074   90.218   20.745   2.2830   22.197   2.0937 -1.452141 3.097725 
1 1 1    1    4   32 o   36.791   0.9723  1330.59   69.278  1222.77   97.616  1440.02   98.337   35.271   1.4257   38.310   1.3223 -3.038849 1.944536 
1 1 1    1    4   33 o   30.620   1.2021  932.175   71.347  978.460  100.237  884.645  101.576   31.414   1.6438   29.826   1.7544 1.587685 2.404128 
1 1 1    1    4   34 o   10.304   2.4625   99.559   64.364  181.534   92.613   22.979   89.514   12.661   3.5984   7.9468   3.3626 4.714441 4.925057 
1 1 1    1    5    0 o  182.385   1.6110 32302.63  570.342 32444.34  805.135 32159.90  808.044  182.787   2.2691  181.983   2.2874 0.8037415 3.221962 
1 1 1    1    5    1 o  148.219   0.9899 21281.56  281.536 21619.49  433.863 21035.77  370.019  149.231   1.4977  147.206   1.2949 2.024399 1.979869 
1 1 1    1    5    2 o  187.708   1.4972 34306.71  534.872 33733.15  840.325 34697.35  693.495  186.377   2.3227  189.040   1.8898 -2.662186 2.994384 
1 1 1    1    5    3 o  151.967   0.9556 22410.31  281.491 22270.86  387.396 22566.30  409.720  151.467   1.3176  152.467   1.3843 -1.000153 1.911124 
1 1 1    1    5    4 o  218.130   1.0869 46186.92  460.216 46427.12  651.346 45947.46  650.343  218.697   1.5343  217.564   1.5399 1.132736 2.173772 
1 1 1    1    5    5 o  135.061   0.8986 17632.13  232.686 17248.87  304.498 18170.05  360.740  133.305   1.1767  136.816   1.3583 -3.511536 1.797112 
1 1 1    1    5    6 o   88.696   0.6476  7633.85  111.487  7476.43  156.172  7797.43  159.206   87.764   0.9167   89.628   0.9151 -1.864281 1.295240 
1 1 1    1    5    7 o  218.916   1.0263 46526.35  436.142 46369.68  615.799 46684.03  617.802  218.546   1.4515  219.286   1.4514 -0.7395325 2.052661 
1 1 1    1    5    8 o  156.572   0.9657 23824.25  290.982 23627.06  440.466 23976.95  387.605  155.994   1.4546  157.151   1.2706 -1.157684 1.931383 
1 1 1    1    5    9 o   26.229   0.4167  667.786   21.214  668.302   29.720  667.249   30.289   26.240   0.5835   26.219   0.5951 0.2070808E-01 0.8334463 
1 1 1    1    5   10 o  128.057   0.8176 15918.73  203.231 15937.51  287.810 15900.06  287.016  128.133   1.1571  127.982   1.1553 0.1505966 1.635125 
1 1 1    1    5   11 f  372.538   1.3693 134741.09  990.235 134826.80  1402.15 134655.91  1398.66  372.656   1.9383  372.420   1.9347 0.2361450 2.738628 
1 1 1    1    5   12 o   72.502   0.5929  5102.12   83.445  5076.23  117.919  5128.08  118.100   72.318   0.8400   72.686   0.8370 -0.3684006 1.185825 
1 1 1    1    5   13 o   92.631   0.7060  8326.17  126.933  8183.22  177.571  8475.55  181.515   91.818   0.9963   93.444   1.0007 -1.625580 1.412065 
1 1 1    1    5   14 o   64.616   0.5900  4049.38   73.970  3947.99  102.672  4158.80  106.661   63.776   0.8293   65.457   0.8394 -1.680531 1.180019 
1 1 1    1    5   15 o  230.569   1.1221 51610.91  502.234 51583.13  709.743 51638.78  710.789  230.507   1.5862  230.631   1.5877 -0.1242218 2.244245 
1 1 1    1    5   16 o  177.099   1.0221 30446.55  351.353 30744.97  499.613 30154.57  494.209  177.957   1.4463  176.240   1.4446 1.716904 2.044144 
1 1 1    1    5   17 o  130.448   1.1504 16602.69  283.411 16877.49  362.785 16172.34  453.990  131.846   1.4175  129.050   1.8123 2.796432 2.300774 
1 1 1    1    5   18 o  209.706   1.2594 42689.62  510.189 42462.25  687.690 42967.97  760.881  209.093   1.6943  210.320   1.8637 -1.226715 2.518719 
1 1 1    1    5   19 o   41.371   0.7968  1617.11   61.130  1519.83   74.977  1809.98  105.574   39.567   0.9762   43.175   1.2597 -3.608593 1.593656 
1 1 1    1    5   20 f   39.019   0.7002  1477.31   53.013  1535.32   75.974  1422.26   74.007   39.765   0.9842   38.273   0.9961 1.492245 1.400352 
1 1 1    1    5   21 o   68.747   0.6865  4589.13   91.607  4605.41  129.253  4572.69  129.851   68.869   0.9668   68.624   0.9748 0.2453003 1.372933 
1 1 1    1    5   22 o   37.328   0.7746  1354.26   56.084  1301.09   79.718  1406.37   78.919   36.601   1.1220   38.055   1.0683 -1.453110 1.549268 
1 1 1    1    5   23 o  133.130   1.0124 17221.07  261.615 16963.75  367.088 17486.66  372.941  132.120   1.4313  134.141   1.4322 -2.020721 2.024840 
1 1 1    1    5   24 o   66.834   0.7537  4339.37   97.761  4223.70  138.056  4455.71  138.455   65.940   1.0785   67.728   1.0531 -1.788109 1.507417 
1 1 1    1    5   25 o   90.419   0.8767  7945.14  153.879  7859.60  216.402  8032.64  218.854   89.927   1.2397   90.912   1.2401 -0.9844971 1.753492 
1 1 1    1    5   26 o   69.545   0.7831  4699.12  105.709  4785.96  150.898  4615.44  148.130   70.176   1.1077   68.914   1.1073 1.261520 1.566267 
1 1 1    1    5   27 o   59.288   0.7879  3416.01   90.660  3373.94  126.912  3459.86  129.554   58.915   1.1097   59.660   1.1187 -0.7447319 1.575713 
1 1 1    1    5   28 f   44.986   1.0271  1914.88   85.119  1802.59  103.659  2147.34  149.145   43.040   1.2407   46.931   1.6371 -3.891224 2.054145 
1 1 1    1    5   29 o   19.984   1.5973  391.537   61.905  409.861   89.940  375.042   85.334   20.426   2.2683   19.541   2.2496 0.8849812 3.194668 
1 1 1    1    5   30 o   50.544   0.8275  2490.44   81.178  2432.23  114.424  2549.42  115.187   49.947   1.1802   51.140   1.1603 -1.192986 1.655020 
1 1 1    1    5   31 o   22.267   1.4661  493.871   62.926  433.425   89.804  552.174   88.199   20.889   2.2147   23.645   1.9216 -2.755417 2.932143 
1 1 1    1    5   32 o   34.587   1.0165  1176.40   68.219  1208.90   96.254  1143.60   96.702   35.074   1.4137   34.100   1.4609 0.9746246 2.032926 
1 1 1    1    5   33 o   44.116   0.9190  1913.24   78.673  1853.93  109.575  1976.35  113.024   43.410   1.3003   44.821   1.2990 -1.411015 1.838028 
1 1 1    1    5   34 o   30.714   1.1571  940.841   68.951  917.782   98.176  963.286   96.859   30.327   1.6677   31.101   1.6043 -0.7744694 2.314123 
1 1 1    1    6    0 o   62.267   0.6802  3758.29   82.158  3900.36  119.040  3629.06  113.534   63.389   0.9674   61.145   0.9565 2.244278 1.360458 
1 1 1    1    6    1 o  162.346   1.3356 25473.52  368.740 25349.35  427.826 25832.22  727.164  161.594   1.3639  163.098   2.2968 -1.504166 2.671203 
1 1 1    1    6    2 o  142.932   0.9078 19830.10  251.874 19645.72  354.102 20018.92  358.342  142.259   1.2823  143.604   1.2855 -1.344803 1.815684 
1 1 1    1    6    3 o  105.002   0.7452 10701.54  151.882 10622.32  214.106 10781.80  215.487  104.610   1.0544  105.393   1.0533 -0.7823792 1.490327 
1 1 1    1    6    4 o   40.112   0.4336  1567.81   32.438  1584.16   40.696  1539.34   53.715   40.400   0.5189   39.824   0.6948 0.5758781 0.8672318 
1 1 1    1    6    5 o  300.777   1.2493 87818.16  729.376 87357.75  1025.87 88288.80  1037.21  299.980   1.7617  301.574   1.7718 -1.593994 2.498563 
1 1 1    1    6    6 o  230.600   1.1356 51693.09  502.291 52088.90  662.708 51158.75  769.998  231.642   1.4738  229.557   1.7280 2.084915 2.271108 
1 1 1    1    6    7 o   67.039   0.6133  4372.78   77.298  4320.74  125.767  4404.37   97.991   66.716   0.9711   67.361   0.7494 -0.6443558 1.226644 
1 1 1    1    6    8 o  242.420   1.0681 57060.54  502.646 57289.14  712.410 56833.92  709.297  242.903   1.5109  241.936   1.5103 0.9669495 2.136297 
1 1 1    1    6    9 o  187.000   1.0380 33961.30  374.803 33850.17  559.209 34051.94  505.026  186.719   1.5428  187.281   1.3892 -0.5617218 2.076088 
1 1 1    1    6   10 o  181.100   0.9788 31837.71  344.099 32049.64  488.491 31628.98  484.787  181.698   1.3850  180.502   1.3836 1.196304 1.957660 
1 1 1    1    6   11 o  165.277   0.9811 26545.83  314.098 27013.31  432.667 26024.96  456.710  166.818   1.3361  163.736   1.4369 3.081848 1.962127 
1 1 1    1    6   12 o  127.590   0.8442 15801.58  209.074 15870.21  296.606 15733.81  294.753  127.866   1.1950  127.315   1.1927 0.5506516 1.688311 
1 1 1    1    6   13 o  118.621   0.8168 13659.05  188.063 13592.83  266.881 13724.36  265.049  118.336   1.1618  118.907   1.1483 -0.5712967 1.633527 
1 1 1    1    6   14 o  103.613   0.7629 10420.94  153.446 10516.46  217.102 10325.60  216.908  104.087   1.0745  103.138   1.0834 0.9489212 1.525874 
1 1 1    1    6   15 o  275.807   1.1881 73852.56  636.115 74004.05  898.854 73700.59  900.354  276.091   1.6772  275.524   1.6834 0.5669556 2.376278 
1 1 1    1    6   16 o  161.627   0.9763 25355.32  306.282 24977.08  429.302 25747.42  437.100  160.399   1.3788  162.854   1.3827 -2.454636 1.952639 
1 1 1    1    6   17 o  127.120   0.8866 15687.18  218.766 15848.41  310.781 15528.83  308.001  127.768   1.2531  126.473   1.2546 1.294785 1.773145 
1 1 1    1    6   18 o  170.137   1.0330 28107.12  341.148 27813.21  479.901 28407.37  485.051  169.238   1.4608  171.036   1.4609 -1.798126 2.065978 
1 1 1    1    6   19 o   89.031   0.7596  7693.28  131.240  7798.31  188.039  7593.53  183.257   89.623   1.0808   88.439   1.0675 1.184265 1.519110 
1 1 1    1    6   20 o   32.985   0.7558  1056.08   48.381  1019.32   67.762  1094.31   69.099   32.400   1.0774   33.571   1.0603 -1.170975 1.511660 
1 1 1    1    6   21 o   71.285   0.8555  4923.89  112.270  4971.63  192.585  4899.31  138.178   71.539   1.3868   71.032   1.0021 0.5075150 1.710984 
1 1 1    1    6   22 o  115.862   0.9246 13052.82  207.543 13248.37  285.912 12834.99  301.749  116.784   1.2612  114.941   1.3524 1.843521 1.849221 
1 1 1    1    6   23 o   75.804   0.7583  5581.02  111.576  5498.31  157.276  5664.81  158.314   75.239   1.0769   76.370   1.0679 -1.131187 1.516589 
1 1 1    1    6   24 o  131.928   1.0666 16920.52  273.144 16876.51  386.065 16964.63  386.504  131.756   1.5095  132.100   1.5072 -0.3438568 2.133142 
1 1 1    1    6   25 o   57.596   0.7601  3223.06   84.977  3227.45  119.947  3218.63  120.407   57.635   1.0721   57.556   1.0777 0.7907104E-01 1.520132 
1 1 1    1    6   26 o   55.761   0.9322  2966.94   95.208  2859.20  115.739  3192.46  167.443   54.240   1.0992   57.281   1.5059 -3.041218 1.864401 
1 1 1    1    6   27 o   39.916   0.8852  1549.44   68.582  1522.54   96.865  1576.48   97.114   39.568   1.2611   40.264   1.2425 -0.6959343 1.770392 
1 1 1    1    6   28 f   77.573   0.8333  5846.42  125.389  6075.94  181.547  5637.06  173.388   79.026   1.1835   76.120   1.1734 2.906113 1.666585 
1 1 1    1    6   29 o   28.610   1.1324  799.141   62.841  804.113   90.846  794.580   87.018   28.692   1.6311   28.528   1.5713 0.1641064 2.264844 
1 1 1    1    6   30 o   42.783   0.8857  1785.07   73.547  1750.87  102.915  1820.77  105.144   42.365   1.2514   43.202   1.2538 -0.8369408 1.771449 
1 1 1    1    6   31 o   12.308   2.2654  155.854   61.610   47.603   87.539  262.103   86.726   8.7302   3.4643   15.886   2.9200 -7.155572 4.530732 
1 1 1    1    6   32 o   13.418   2.3762  193.798   62.898  246.429   89.710  142.913   88.210   15.231   3.1387   11.606   3.5686 3.624672 4.752498 
1 1 1    1    6   33 o   26.088   1.3683  682.153   68.943  601.491   96.986  764.546   98.022   24.483   2.0407   27.694   1.8234 -3.211405 2.736651 
1 1 1    1    6   34 o   15.677   2.2447  270.442   65.964  301.010   93.851  240.599   92.733   16.661   3.0127   14.693   3.3285 1.968586 4.489469 
1 1 1    1    7    0 o  160.988   1.6044 25163.85  501.327 24766.54  703.679 25573.38  714.410  159.698   2.2699  162.279   2.2679 -2.580551 3.208710 
1 1 1    1    7    1 o  206.834   1.6445 41543.25  660.221 41408.23  928.288 41681.46  939.194  206.494   2.3158  207.173   2.3354 -0.6792145 3.288939 
1 1 1    1    7    2 o  116.470   0.9448 13142.61  204.632 13079.55  254.794 13257.17  343.454  116.080   1.1308  116.860   1.5140 -0.7807007 1.889685 
1 1 1    1    7    3 o  261.961   1.3966 66619.98  710.205 66695.24  1002.85 66544.26  1005.92  262.110   1.9710  261.813   1.9793 0.2970581 2.793281 
1 1 1    1    7    4 o  194.189   1.0570 36601.81  398.427 36261.92  560.618 36948.68  566.346  193.279   1.4942  195.100   1.4954 -1.821640 2.113995 
1 1 1    1    7    5 o   58.286   0.5505  3286.89   59.959  3336.44   99.673  3258.80   75.059   58.629   0.8758   57.944   0.6673 0.6854973 1.101050 
1 1 1    1    7    6 o  118.909   0.7784 13724.68  179.663 13623.17  253.603 13826.96  254.562  118.467   1.1028  119.350   1.0988 -0.8828278 1.556735 
1 1 1    1    7    7 o  153.363   0.9573 22812.11  282.584 22661.38  375.422 23009.15  429.228  152.781   1.2659  153.944   1.4364 -1.162277 1.914548 
1 1 1    1    7    8 o  204.748   1.0090 40702.43  401.037 40671.04  566.883 40733.89  567.423  204.669   1.4268  204.827   1.4271 -0.1580658 2.018039 
1 1 1    1    7    9 o  149.041   0.8879 21564.75  256.896 21611.32  363.739 21518.41  362.873  149.202   1.2559  148.881   1.2556 0.3210754 1.775890 
1 1 1    1    7   10 o  389.054   1.3721 146964.41  1036.26 146886.59  1464.33 147042.50  1466.65  388.951   1.9395  389.157   1.9415 -0.2062683 2.744247 
1 1 1    1    7   11 o  274.227   1.1399 72999.23  606.794 72564.69  854.696 73440.85  861.618  273.404   1.6104  275.050   1.6138 -1.645538 2.279844 
1 1 1    1    7   12 o  362.662   1.2808 127692.80  900.920 127939.20  1249.16 127425.80  1300.58  363.028   1.7726  362.296   1.8493 0.7323303 2.561654 
1 1 1    1    7   13 o  168.488   0.9693 27556.52  317.025 27719.70  449.492 27395.01  447.198  168.984   1.3703  167.991   1.3713 0.9926147 1.938630 
1 1 1    1    7   14 o  171.388   0.9809 28514.59  326.337 28693.96  461.724 28335.54  461.297  171.927   1.3835  170.850   1.3909 1.077316 1.961803 
1 1 1    1    7   15 o  173.264   1.0016 29142.31  336.868 28919.05  475.139 29367.97  477.679  172.597   1.4181  173.932   1.4148 -1.334549 2.003193 
1 1 1    1    7   16 o   75.404   0.6651  5519.23   97.350  5546.77  137.480  5491.54  137.867   75.592   0.9369   75.215   0.9443 0.3772964 1.330193 
1 1 1    1    7   17 o  179.988   1.1380 31532.56  393.690 30897.44  597.153 32020.84  523.594  178.376   1.7246  181.601   1.4853 -3.225494 2.276022 
1 1 1    1    7   18 o  224.104   1.2559 48780.63  546.331 49180.45  774.765 48385.20  770.509  225.018   1.7737  223.190   1.7784 1.827133 2.511763 
1 1 1    1    7   19 o  112.447   0.8633 12274.97  188.335 12218.61  261.564 12335.65  271.398  112.179   1.2012  112.714   1.2404 -0.5345764 1.726672 
1 1 1    1    7   20 o   95.656   0.8054  8884.52  149.539  8766.06  210.375  9005.49  212.603   95.011   1.1407   96.300   1.1373 -1.288933 1.610763 
1 1 1    1    7   21 o   62.574   0.6824  3801.54   82.866  3819.28  118.903  3784.78  115.549   62.716   0.9767   62.433   0.9534 0.2832565 1.364889 
1 1 1    1    7   22 o   36.183   0.7865  1272.00   55.208  1257.82   79.210  1285.40   76.989   35.987   1.1339   36.380   1.0902 -0.3932457 1.572966 
1 1 1    1    7   23 o   75.624   0.7690  5554.09  112.880  5606.63  161.017  5503.31  158.289   75.975   1.0918   75.272   1.0833 0.7028656 1.538029 
1 1 1    1    7   24 o   88.413   0.8287  7593.91  142.215  7666.39  202.079  7522.79  200.178   88.831   1.1719   87.995   1.1719 0.8358917 1.657329 
1 1 1    1    7   25 o   76.818   0.8029  5734.07  119.715  5749.53  170.194  5718.92  168.424   76.921   1.1398   76.716   1.1310 0.2043304 1.605707 
1 1 1    1    7   26 o   63.556   0.7746  3926.04   95.537  3801.50  134.711  4052.07  135.511   62.541   1.1096   64.571   1.0811 -2.030464 1.549209 
1 1 1    1    7   27 o   82.690   0.8496  6648.35  136.370  6692.32  193.219  6604.71  192.497   82.963   1.1998   82.417   1.2032 0.5452576 1.699168 
1 1 1    1    7   28 o   53.921   0.8116  2825.47   84.895  2916.57  122.713  2741.84  117.572   54.753   1.1546   53.089   1.1409 1.663960 1.623132 
1 1 1    1    7   29 o   31.321   1.0614  957.106   64.514  969.796   92.465  945.069   90.057   31.522   1.5111   31.120   1.4908 0.4021645 2.122703 
1 1 1    1    7   30 o   17.392   1.8347  300.082   61.916  300.652   88.864  299.545   86.316   17.402   2.6306   17.381   2.5583 0.2156067E-01 3.669474 
1 1 1    1    7   31 o   11.618   2.4694  139.222   61.847   96.316   87.187  182.680   87.746   10.129   3.5681   13.106   3.4146 -2.977614 4.938705 
1 1 1    1    7   32 o   25.341   1.3274  639.732   64.149  495.740   89.024  795.242   92.516   22.307   2.0559   28.375   1.6797 -6.067776 2.654807 
1 1 1    1    7   33 o   33.496   1.0883  1110.98   70.693  1057.03  100.089  1164.69   99.862   32.667   1.5784   34.324   1.4988 -1.657299 2.176585 
1 1 1    1    7   34 o   10.314   2.5799  103.110   68.124  164.710   97.223   43.692   95.485   12.045   3.7536   8.5830   3.5402 3.461787 5.159737 
1 1 1    1    8    0 o  256.938   1.6793 64107.94  837.542 64320.75  1182.89 63893.99  1186.04  257.366   2.3677  256.510   2.3819 0.8559875 3.358520 
1 1 1    1    8    1 o  166.468   1.2620 26901.22  407.785 26647.47  573.935 27159.90  579.494  165.675   1.7846  167.260   1.7848 -1.585373 2.523952 
1 1 1    1    8    2 o   75.438   0.7096  5537.03  100.004  5573.08  125.632  5474.69  165.217   75.774   0.8541   75.101   1.1333 0.6730118 1.419109 
1 1 1    1    8    3 o  197.979   1.1941 38047.16  458.896 37788.92  647.126 38308.37  650.844  197.304   1.6896  198.655   1.6878 -1.351471 2.388170 
1 1 1    1    8    4 o   32.643   0.4288  1032.78   27.151  1079.74   39.264  989.755   37.586   33.353   0.6064   31.933   0.6063 1.420080 0.8575697 
1 1 1    1    8    5 o  258.242   1.2165 64647.36  604.744 65458.80  919.174 64028.04  803.021  259.666   1.8236  256.819   1.6108 2.846741 2.433093 
1 1 1    1    8    6 f  236.529   1.0896 54325.75  499.030 54479.69  682.394 54148.79  731.649  236.892   1.4840  236.167   1.5959 0.7247925 2.179258 
1 1 1    1    8    7 o  245.752   1.0691 58637.23  509.993 58229.59  717.685 59053.06  724.847  244.890   1.5097  246.615   1.5141 -1.725235 2.138187 
1 1 1    1    8    8 o  179.630   1.0179 31299.19  352.727 31075.01  472.268 31582.00  530.448  178.907   1.3599  180.354   1.5151 -1.447372 2.035897 
1 1 1    1    8    9 o  146.923   0.8853 20952.90  252.473 21262.83  359.662 20651.80  354.496  147.995   1.2519  145.853   1.2521 2.141968 1.770612 
1 1 1    1    8   10 o  191.745   1.1026 35660.15  403.285 35867.38  632.865 35518.47  523.292  192.210   1.6962  191.281   1.4093 0.9296265 2.205257 
1 1 1    1    8   11 o  113.668   0.8740 12539.21  189.328 12555.05  297.664 12528.46  245.354  113.727   1.3483  113.609   1.1125 0.1183014 1.748063 
1 1 1    1    8   12 o  405.497   1.3685 159633.70  1076.45 159570.20  1551.53 159692.59  1494.74  405.418   1.9715  405.577   1.8986 -0.1592712 2.737017 
1 1 1    1    8   13 o  245.488   1.1252 58486.12  536.096 59691.89  765.638 57326.38  750.886  247.969   1.5906  243.006   1.5918 4.963013 2.250305 
1 1 1    1    8   14 o   93.232   0.7209  8437.68  130.462  8381.58  185.087  8493.09  183.922   92.924   1.0261   93.540   1.0129 -0.6161880 1.441820 
1 1 1    1    8   15 o  242.281   1.1445 56988.08  538.248 56774.05  761.502 57201.77  760.894  241.827   1.6222  242.736   1.6148 -0.9094696 2.288917 
1 1 1    1    8   16 o  249.104   1.1660 60247.77  563.821 60533.84  799.414 59964.60  795.330  249.692   1.6493  248.515   1.6487 1.176743 2.332009 
1 1 1    1    8   17 o   94.677   0.8753  8671.02  156.101  8831.83  254.598  8574.15  197.600   95.375   1.3752   93.980   1.0832 1.395699 1.750512 
1 1 1    1    8   18 f  127.827   0.8884 15864.16  220.443 16027.67  313.108 15703.46  310.416  128.480   1.2554  127.174   1.2574 1.306160 1.776855 
1 1 1    1    8   19 o   83.970   0.7271  6845.48  118.519  6859.93  168.014  6831.17  167.211   84.058   1.0297   83.882   1.0269 0.1763077 1.454227 
1 1 1    1    8   20 o  100.508   0.8030  9809.74  156.657  9753.35  221.467  9866.20  221.626  100.218   1.1384  100.797   1.1327 -0.5783539 1.605906 
1 1 1    1    8   21 o   72.688   0.7092  5130.59  100.060  5096.39  141.492  5164.79  141.520   72.445   1.0061   72.930   0.9996 -0.4847336 1.418303 
1 1 1    1    8   22 o  101.496   0.8662 10005.29  170.518 10045.47  246.475  9968.41  236.154  101.690   1.2486  101.303   1.2009 0.3874969 1.732399 
1 1 1    1    8   23 o   75.196   0.7556  5491.71  110.285  5440.46  155.201  5543.97  156.742   74.842   1.0683   75.550   1.0688 -0.7085800 1.511123 
1 1 1    1    8   24 o   86.347   0.8281  7243.51  138.794  7263.16  197.266  7224.24  195.318   86.462   1.1753   86.231   1.1668 0.2313309 1.656181 
1 1 1    1    8   25 o   35.031   1.1297  1147.76   72.873  1057.94   88.406  1338.17  128.713   32.986   1.3807   37.076   1.7884 -4.090183 2.259331 
1 1 1    1    8   26 o   46.836   0.8140  2132.74   73.965  2048.50  104.406  2217.61  104.800   45.906   1.1716   47.765   1.1303 -1.859783 1.627962 
1 1 1    1    8   27 o   25.873   1.2816  651.965   64.347  671.652   92.446  633.463   89.622   26.252   1.8141   25.494   1.8109 0.7570610 2.563296 
1 1 1    1    8   28 o   35.770   0.9594  1245.15   66.592  1294.16   95.494  1198.75   92.910   36.455   1.3494   35.085   1.3642 1.370808 1.918864 
1 1 1    1    8   29 f   43.287   0.8635  1822.57   72.486  1939.04  104.655  1715.19  100.493   44.616   1.2084   41.958   1.2338 2.657593 1.727009 
1 1 1    1    8   30 o   18.465   1.7597  339.023   62.724  378.905   88.631  299.007   88.780   19.580   2.3319   17.350   2.6360 2.229671 3.519397 
1 1 1    1    8   31 o   28.127   1.1965  778.904   65.329  777.402   92.584  780.394   92.196   28.098   1.6974   28.155   1.6869 -0.5650520E-01 2.393084 
1 1 1    1    8   32 o   13.084   2.4396  185.260   63.284  212.134   88.930  157.690   90.076   14.048   3.3146   12.120   3.5805 1.928230 4.879183 
1 1 1    1    8   33 o   40.424   0.9556  1610.20   74.983  1611.68  106.696  1608.76  105.401   40.439   1.3592   40.409   1.3437 0.2973175E-01 1.911269 
1 1 1    1    8   34 o   17.639   2.0663  331.961   69.151  305.716   95.874  360.420   99.835   16.745   3.0623   18.532   2.7751 -1.787027 4.132689 
1 1 1    1    9    0 o  412.234   1.8586 164980.80  1487.09 166658.50  2122.88 163364.41  2083.79  414.291   2.6397  410.177   2.6171 4.113312 3.717139 
1 1 1    1    9    1 o  281.334   1.7148 76822.24  936.237 75867.92  1305.89 77831.50  1342.96  279.538   2.4066  283.131   2.4435 -3.592896 3.429627 
1 1 1    1    9    2 o  320.809   1.7644 99904.86  1098.56 99127.66  1536.02 100718.70  1571.79  319.533   2.4764  322.086   2.5140 -2.552582 3.528802 
1 1 1    1    9    3 o  166.611   1.1372 27052.17  355.870 27372.74  451.063 26523.66  579.174  167.927   1.3837  165.296   1.8050 2.630692 2.274376 
1 1 1    1    9    4 o  215.460   1.1726 45056.51  488.197 45160.94  726.508 44970.54  659.215  215.685   1.7352  215.234   1.5778 0.4514618 2.345300 
1 1 1    1    9    5 o  314.699   1.3647 96214.73  826.115 95672.15  1253.97 96630.80  1098.09  313.908   2.0579  315.490   1.7930 -1.581512 2.729440 
1 1 1    1    9    6 o   95.831   0.6880  8919.69  127.908  8712.79  182.693  9118.62  179.138   94.740   0.9934   96.922   0.9521 -2.181801 1.376014 
1 1 1    1    9    7 o  100.421   0.7022  9788.48  136.885  9652.93  192.560  9926.94  194.625   99.718   0.9948  101.124   0.9915 -1.405449 1.404492 
1 1 1    1    9    8 o   88.802   0.6569  7654.91  113.231  7553.21  159.893  7757.22  160.373   88.211   0.9338   89.394   0.9242 -1.183434 1.313796 
1 1 1    1    9    9 o   42.430   0.5570  1748.21   45.851  1716.73   65.502  1778.45   64.203   42.055   0.8024   42.804   0.7727 -0.7494659 1.113931 
1 1 1    1    9   10 o  280.381   1.1830 76280.09  642.342 75766.54  877.369 76873.36  942.995  279.366   1.6179  281.395   1.7263 -2.028900 2.365959 
1 1 1    1    9   11 o  336.459   1.4267 110139.90  913.865 108683.70  1435.84 111131.40  1184.83  334.577   2.2108  338.342   1.8040 -3.764526 2.853408 
1 1 1    1    9   12 o  370.947   1.3156 133567.00  947.245 134865.00  1351.33 132313.20  1328.18  372.718   1.8677  369.176   1.8534 3.542328 2.631232 
1 1 1    1    9   13 o  278.652   1.1696 75378.30  632.662 75116.30  892.638 75642.78  896.815  278.165   1.6531  279.138   1.6551 -0.9730530 2.339256 
1 1 1    1    9   14 o  185.387   1.0929 33363.84  392.052 33357.39  533.717 33371.40  577.792  185.369   1.4832  185.405   1.6054 -0.3591919E-01 2.185704 
1 1 1    1    9   15 o   68.023   0.6350  4490.35   83.834  4417.53  117.541  4565.74  119.603   67.461   0.8976   68.584   0.8984 -1.122375 1.269921 
1 1 1    1    9   16 o  135.504   0.9232 17823.80  242.815 17585.55  341.794 18066.57  345.014  134.589   1.3082  136.418   1.3029 -1.828430 1.846336 
1 1 1    1    9   17 o  110.126   0.8289 11773.04  177.182 11861.55  252.200 11686.78  248.978  110.534   1.1754  109.717   1.1690 0.8171692 1.657752 
1 1 1    1    9   18 o  167.747   1.0947 27326.24  356.468 27464.53  505.777 27189.73  502.482  168.168   1.5494  167.325   1.5470 0.8432922 2.189465 
1 1 1    1    9   19 o  146.464   1.0375 20833.40  294.954 21031.16  417.721 20636.76  416.537  147.158   1.4623  145.771   1.4720 1.386963 2.074901 
1 1 1    1    9   20 o   51.742   0.6776  2599.90   68.047  2570.89   96.883  2628.13   95.595   51.457   0.9699   52.027   0.9466 -0.5701561 1.355262 
1 1 1    1    9   21 o  106.216   0.8788 10958.68  181.095 10942.38  260.254 10973.98  252.151  106.138   1.2632  106.294   1.2220 -0.1557465 1.757552 
1 1 1    1    9   22 o  129.612   0.9958 16319.56  250.514 16585.00  357.922 16064.66  350.747  130.645   1.4113  128.579   1.4053 2.065109 1.991642 
1 1 1    1    9   23 o   23.135   1.1546  519.276   51.691  579.856   74.876  464.114   71.449   24.423   1.5794   21.848   1.6847 2.575378 2.309253 
1 1 1    1    9   24 f   52.334   0.7335  2659.68   74.508  2709.09  106.477  2612.27  104.297   52.810   1.0387   51.858   1.0361 0.9521866 1.467053 
1 1 1    1    9   25 o   73.870   0.7939  5300.26  113.817  5432.93  162.865  5173.62  159.123   74.773   1.1221   72.967   1.1234 1.806358 1.587804 
1 1 1    1    9   26 o   54.862   0.7805  2925.40   83.119  2943.04  117.608  2907.79  117.488   55.028   1.1010   54.697   1.1065 0.3308792 1.560972 
1 1 1    1    9   27 o   74.371   0.8179  5375.35  118.048  5478.16  169.210  5277.87  164.769   75.063   1.1613   73.679   1.1520 1.384033 1.635778 
1 1 1    1    9   28 o   11.090   2.4415  117.676   61.100   63.212   87.222  170.156   85.618   9.3103   3.5215   12.870   3.3826 -3.560136 4.882942 
1 1 1    1    9   29 f   59.063   0.7901  3396.36   90.566  3502.41  128.760  3292.51  127.410   59.977   1.1059   58.148   1.1288 1.828754 1.580251 
1 1 1    1    9   30 o   28.541   1.1596  801.828   63.873  711.523   91.077  889.231   89.601   26.935   1.7419   30.147   1.5311 -3.211773 2.319146 
1 1 1    1    9   31 o   27.775   1.2138  760.714   65.254  833.632   92.938  689.816   91.642   29.105   1.6450   26.444   1.7853 2.661579 2.427566 
1 1 1    1    9   32 o   17.682   1.8743  317.156   64.216  293.862   90.257  341.034   91.383   16.999   2.7352   18.364   2.5635 -1.364576 3.748668 
1 1 1    1    9   33 o   25.701   1.3741  661.911   67.894  784.360   97.998  548.886   94.152   28.045   1.8001   23.358   2.0765 4.687439 2.748139 
1 1 1    1    9   34 o   46.543   0.9321  2141.56   84.205  2128.52  117.980  2155.10  120.220   46.404   1.3097   46.682   1.3267 -0.2777863 1.864252 
1 1 1    1   10    0 o  411.471   1.8612 164328.20  1485.95 162680.30  2065.79 166094.91  2139.02  409.336   2.5998  413.606   2.6642 -4.270233 3.722481 
1 1 1    1   10    1 o  267.946   1.7078 69704.21  888.262 69880.23  1251.59 69525.57  1260.84  268.287   2.4032  267.605   2.4272 0.6824036 3.415669 
1 1 1    1   10    2 o  127.146   1.0879 15691.20  268.484 15594.64  376.760 15790.82  382.695  126.749   1.5313  127.544   1.5457 -0.7946167 2.175792 
1 1 1    1   10    3 o  184.097   1.1932 32862.43  412.271 32751.43  519.966 33050.34  676.546  183.683   1.4583  184.511   1.8889 -0.8282166 2.386319 
1 1 1    1   10    4 o  210.366   1.4410 43317.17  538.666 43852.70  645.302 42086.39  978.277  212.541   1.5641  208.191   2.4207 4.349976 2.882003 
1 1 1    1   10    5 o  335.554   1.4831 109328.50  966.055 109770.80  1369.02 108889.80  1363.41  336.230   2.0975  334.878   2.0974 1.351959 2.966245 
1 1 1    1   10    6 o  233.876   1.1433 53116.61  518.865 52874.32  742.463 53347.88  725.407  233.353   1.6391  234.398   1.5943 -1.045334 2.286533 
1 1 1    1   10    7 o  169.235   0.9347 27806.33  307.055 27871.50  434.251 27741.17  434.233  169.433   1.3203  169.036   1.3234 0.3967438 1.869360 
1 1 1    1   10    8 o  232.839   1.0606 52635.77  479.388 52404.68  676.516 52868.84  679.406  232.326   1.5001  233.352   1.4999 -1.026596 2.121284 
1 1 1    1   10    9 o  257.932   1.1081 64589.95  554.814 64523.41  784.169 64656.65  785.083  257.799   1.5670  258.065   1.5672 -0.2660217 2.216188 
1 1 1    1   10   10 o  152.631   0.9296 22606.21  275.369 22157.78  385.137 23075.21  393.872  151.083   1.3132  154.179   1.3160 -3.096024 1.859150 
1 1 1    1   10   11 o  271.166   1.1436 71377.66  601.952 70953.84  848.149 71807.83  854.463  270.355   1.6161  271.977   1.6184 -1.622040 2.287174 
1 1 1    1   10   12 o  374.810   1.4980 136046.91  1058.82 137848.00  1719.89 134947.70  1343.63  376.789   2.3515  372.831   1.8565 3.957397 2.996008 
1 1 1    1   10   13 o  232.387   1.2399 52397.32  549.055 52588.98  863.931 52267.46  711.141  232.738   1.9123  232.036   1.5788 0.7019043 2.479806 
1 1 1    1   10   14 o  283.155   1.1956 77839.27  657.168 77895.19  928.993 77783.26  929.760  283.257   1.6895  283.054   1.6921 0.2037048 2.391206 
1 1 1    1   10   15 o  167.168   0.9962 27128.45  323.275 27081.44  456.784 27175.63  457.578  167.023   1.4089  167.313   1.4089 -0.2902222 1.992436 
1 1 1    1   10   16 o  222.837   1.1254 48212.52  486.817 48279.81  688.377 48145.21  688.549  222.993   1.5903  222.682   1.5929 0.3111725 2.250833 
1 1 1    1   10   17 o  143.600   0.9956 20022.33  277.524 20059.73  393.097 19985.16  391.861  143.734   1.4089  143.466   1.4071 0.2673492 1.991184 
1 1 1    1   10   18 f   51.738   0.6465  2597.22   64.916  2680.18   92.959  2518.25   90.692   52.544   0.9114   50.932   0.9173 1.612087 1.293096 
1 1 1    1   10   19 o   31.216   0.7970  945.041   48.259  994.819   69.500  898.694   67.062   32.009   1.1185   30.423   1.1356 1.585907 1.593917 
1 1 1    1   10   20 o   54.346   0.6515  2867.08   68.707  2889.50   98.610  2845.93   95.785   54.553   0.9312   54.140   0.9114 0.4124069 1.302991 
1 1 1    1   10   21 o   63.175   0.6979  3875.80   85.576  3820.20  121.141  3931.18  120.904   62.722   0.9950   63.627   0.9789 -0.9050331 1.395769 
1 1 1    1   10   22 f   40.944   0.7525  1628.59   59.785  1679.72   84.534  1577.44   84.563   41.587   1.0471   40.300   1.0810 1.286861 1.504983 
1 1 1    1   10   23 o  102.498   0.9075 10208.57  180.521 10249.91  252.840 10165.59  257.823  102.711   1.2681  102.285   1.2985 0.4259338 1.815016 
1 1 1    1   10   24 o   78.828   0.7779  6036.51  119.029  6000.40  167.966  6072.94  168.702   78.591   1.1010   79.065   1.0992 -0.4738007 1.555757 
1 1 1    1   10   25 o   37.171   0.8886  1348.12   63.875  1244.85   91.823  1444.95   88.912   35.784   1.3219   38.559   1.1879 -2.774807 1.777217 
1 1 1    1   10   26 o   68.603   0.8013  4571.52  106.667  4423.04  148.770  4728.61  153.020   67.457   1.1361   69.749   1.1302 -2.291809 1.602520 
1 1 1    1   10   27 o   38.421   1.1110  1478.32   78.979  1592.70  100.109  1289.78  128.529   40.466   1.2744   36.375   1.8203 4.091007 2.222053 
1 1 1    1   10   28 o   28.895   1.1687  816.808   65.341  745.911   92.817  886.464   92.002   27.642   1.7298   30.149   1.5720 -2.507151 2.337404 
1 1 1    1   10   29 o   29.031   1.1381  822.843   64.096  863.620   92.094  784.534   89.264   29.730   1.5958   28.332   1.6230 1.397171 2.276143 
1 1 1    1   10   30 f   40.518   0.8968  1602.45   70.537  1599.16   99.449  1605.77  100.063   40.477   1.2657   40.559   1.2709 -0.8261871E-01 1.793661 
1 1 1    1   10   31 o   20.038   1.6674  404.695   63.604  499.099   90.687  313.301   89.230   22.421   2.0836   17.654   2.6038 4.767580 3.334846 
1 1 1    1   10   32 o   11.412   2.5178  137.181   62.281  115.330   87.419  159.704   88.753   10.648   3.5793   12.176   3.5420 -1.527516 5.035553 
1 1 1    1   10   33 f   29.453   1.2285  860.803   70.083  944.619  102.294  786.661   96.210   30.811   1.7103   28.095   1.7641 2.715906 2.457092 
1 1 1    1   10   34 o   28.680   1.2984  826.246   71.757  965.846  104.138  700.042   99.016   31.041   1.7283   26.319   1.9381 4.721544 2.596733 
1 1 1    1   11    0 o  150.662   1.2189 22030.76  356.458 22359.55  508.206 21712.36  500.108  151.768   1.7250  149.555   1.7226 2.212540 2.437869 
1 1 1    1   11    1 o  308.561   1.7520 92432.61  1049.30 91954.34  1471.31 92927.63  1496.88  307.749   2.4629  309.372   2.4925 -1.623169 3.504068 
1 1 1    1   11    2 o  295.458   1.7472 84748.08  1001.93 84164.48  1402.65 85356.09  1431.69  294.420   2.4542  296.495   2.4875 -2.075409 3.494438 
1 1 1    1   11    3 o  226.927   1.5853 50004.46  688.826 50033.07  902.940 49964.63  1065.38  227.011   2.0490  226.842   2.4194 0.1684723 3.170525 
1 1 1    1   11    4 o   72.025   0.6795  5032.02   90.582  5024.17  112.242  5046.68  153.395   71.945   0.8037   72.105   1.0959 -0.1593552 1.359036 
1 1 1    1   11    5 o  155.878   1.1430 23595.21  332.964 23606.43  417.819 23575.69  551.174  155.936   1.3803  155.821   1.8222 0.1152649 2.285980 
1 1 1    1   11    6 o  253.182   1.2285 62209.01  599.175 62562.38  906.238 61934.57  798.645  253.812   1.8393  252.551   1.6291 1.260834 2.457045 
1 1 1    1   11    7 o   78.057   0.6067  5909.62   91.818  6008.52  133.565  5821.01  126.429   78.676   0.8746   77.439   0.8411 1.237007 1.213348 
1 1 1    1   11    8 o  125.049   0.8122 15180.00  197.146 15059.96  278.428 15300.69  279.188  124.553   1.1516  125.544   1.1456 -0.9916458 1.624360 
1 1 1    1   11    9 o  245.859   1.1329 58696.10  539.375 58865.58  738.030 58501.79  790.224  246.242   1.5440  245.476   1.6584 0.7664795 2.265846 
1 1 1    1   11   10 o  237.253   1.0900 54642.45  502.009 54540.53  708.487 54745.20  711.417  237.031   1.5398  237.475   1.5433 -0.4442291 2.180054 
1 1 1    1   11   11 o  491.684   1.8133 234094.41  1624.41 232880.00  1978.29 236607.91  2846.07  489.767   2.0808  493.601   2.9703 -3.834381 3.626667 
1 1 1    1   11   12 o  267.255   1.1564 69336.55  599.906 69828.73  850.610 68849.46  846.197  268.199   1.6338  266.311   1.6369 1.887329 2.312746 
1 1 1    1   11   13 o  341.631   1.4536 113317.30  933.335 113316.30  1524.34 113317.90  1180.49  341.615   2.2987  341.647   1.7800 -0.3118896E-01 2.907293 
1 1 1    1   11   14 o  377.532   1.3301 138414.00  974.154 139273.91  1356.48 137498.41  1399.87  378.745   1.8450  376.318   1.9163 2.426697 2.660142 
1 1 1    1   11   15 o  102.079   0.7760 10114.10  153.767 10214.12  218.662 10016.25  216.276  102.578   1.0981  101.580   1.0968 0.9983902 1.552063 
1 1 1    1   11   16 o  115.196   0.8349 12882.47  186.685 12873.82  264.587 12891.05  263.440  115.158   1.1836  115.235   1.1777 -0.7716370E-01 1.669704 
1 1 1    1   11   17 o  152.662   1.0645 22704.76  311.885 23146.82  413.499 22121.38  475.017  154.397   1.3797  150.927   1.6214 3.470459 2.128904 
1 1 1    1   11   18 o  108.711   0.8607 11473.94  181.622 11538.47  257.949 11410.50  255.769  109.014   1.2190  108.408   1.2154 0.6061172 1.721359 
1 1 1    1   11   19 o   55.806   0.6510  3023.59   70.518  3017.85   99.916  3029.29   99.540   55.754   0.9232   55.859   0.9180 -0.1057434 1.301925 
1 1 1    1   11   20 o  114.215   0.8826 12661.58  195.485 12843.37  283.723 12497.28  269.723  114.993   1.2710  113.436   1.2249 1.557159 1.765193 
1 1 1    1   11   21 o  102.613   0.8451 10222.89  168.199 10321.52  243.507 10132.90  232.605  103.085   1.2169  102.142   1.1731 0.9436417 1.690290 
1 1 1    1   11   22 o   86.541   0.8393  7275.23  140.987  7233.76  198.991  7317.04  199.782   86.294   1.1879   86.789   1.1858 -0.4954453 1.678504 
1 1 1    1   11   23 f   88.369   0.8428  7586.36  144.572  7570.77  203.834  7602.14  205.083   88.278   1.1895   88.460   1.1943 -0.1823807 1.685607 
1 1 1    1   11   24 o   60.074   0.7402  3501.81   86.255  3603.01  124.990  3409.79  119.182   60.902   1.0573   59.247   1.0363 1.654472 1.480431 
1 1 1    1   11   25 o   56.102   0.7612  3057.05   82.854  2917.22  116.078  3202.29  118.300   54.793   1.0913   57.410   1.0615 -2.616589 1.522455 
1 1 1    1   11   26 o   90.724   0.8931  8002.26  157.277  8060.05  224.113  7946.19  220.771   91.046   1.2681   90.402   1.2581 0.6441116 1.786246 
1 1 1    1   11   27 o   42.675   0.8784  1774.87   72.579  1708.10  105.227  1835.45  100.238   41.904   1.2936   43.445   1.1886 -1.541588 1.756744 
1 1 1    1   11   28 o   82.219   0.8556  6580.11  136.542  6608.69  194.402  6552.28  191.824   82.394   1.2155   82.043   1.2045 0.3501740 1.711165 
1 1 1    1   11   29 o   40.132   0.9272  1576.61   71.953  1458.91  103.606  1686.26  100.003   38.670   1.3802   41.595   1.2385 -2.925041 1.854455 
1 1 1    1   11   30 o   18.476   1.7298  338.783   61.911  334.149   90.127  342.923   85.192   18.342   2.5313   18.609   2.3583 -0.2672176 3.459607 
1 1 1    1   11   31 o   27.063   1.2421  722.629   65.210  759.564   93.004  686.911   91.458   27.751   1.7265   26.375   1.7863 1.375364 2.484298 
1 1 1    1   11   32 o   18.510   1.7960  347.852   64.287  377.938   90.357  317.011   91.484   19.363   2.4040   17.657   2.6690 1.705465 3.592063 
1 1 1    1   11   33 o   14.238   2.4288  222.235   66.559  267.025   98.574  184.701   90.236   15.591   3.3563   12.885   3.5117 2.705840 4.857669 
1 1 1    1   11   34 o   39.550   0.9932  1558.08   75.921  1426.70  108.988  1681.94  105.820   37.875   1.4824   41.225   1.3223 -3.350243 1.986465 
1 1 1    1   12    0 o  268.569   1.6080 70094.00  832.346 70567.61  1114.58 69496.87  1251.51  269.601   2.1297  267.537   2.4098 2.064056 3.216055 
1 1 1    1   12    1 o  154.386   1.2371 23137.29  370.719 22976.63  521.370 23301.59  527.230  153.844   1.7458  154.928   1.7531 -1.083969 2.474107 
1 1 1    1   12    2 o  132.484   1.1688 17038.84  300.587 17002.64  423.898 17075.45  426.301  132.342   1.6501  132.625   1.6559 -0.2829742 2.337640 
1 1 1    1   12    3 o  275.522   1.7427 73716.89  932.012 74035.81  1314.30 73394.28  1321.86  276.122   2.4520  274.922   2.4769 1.200256 3.485348 
1 1 1    1   12    4 o   23.494   0.3885  539.247   17.065  549.089   21.524  522.590   28.002   23.785   0.4662   23.204   0.6217 0.5812225 0.7770551 
1 1 1    1   12    5 o  169.965   1.1811 28098.23  376.449 28235.41  475.154 27866.96  616.951  170.533   1.4354  169.398   1.8762 1.135696 2.362279 
1 1 1    1   12    6 o  170.772   1.1884 28410.67  380.587 28678.33  480.973 27962.41  622.436  171.863   1.4417  169.682   1.8897 2.180695 2.376864 
1 1 1    1   12    7 o   62.097   0.6980  3743.53   84.129  3715.19  119.670  3771.22  118.296   61.865   0.9965   62.329   0.9777 -0.4649200 1.396043 
1 1 1    1   12    8 o  153.879   0.9349 22979.58  278.500 23095.45  409.753 22880.09  379.682  154.238   1.3686  153.520   1.2741 0.7183228 1.869809 
1 1 1    1   12    9 o  125.352   0.8071 15247.49  196.343 15462.96  281.691 15043.90  273.818  126.213   1.1497  124.491   1.1331 1.721817 1.614244 
1 1 1    1   12   10 o  325.094   1.2602 102704.60  792.079 103824.30  1076.40 101382.30  1169.75  327.032   1.6956  323.156   1.8647 3.875488 2.520359 
1 1 1    1   12   11 o   96.009   0.7353  8947.51  137.035  8912.78  194.403  8981.80  193.196   95.824   1.0451   96.194   1.0346 -0.3703461 1.470616 
1 1 1    1   12   12 o  113.174   0.8349 12414.07  182.482 12252.34  245.185 12614.92  273.224  112.349   1.1242  113.998   1.2347 -1.649109 1.669833 
1 1 1    1   12   13 o  168.698   0.9976 27626.40  326.687 27716.67  461.875 27536.03  462.135  168.973   1.4081  168.422   1.4135 0.5516663 1.995216 
1 1 1    1   12   14 o  159.019   1.0166 24497.94  312.774 25139.12  464.042 23964.15  423.405  160.921   1.4855  157.117   1.3882 3.803482 2.033230 
1 1 1    1   12   15 o  118.761   1.0116 13727.08  228.281 13863.90  294.894 13522.49  360.604  119.504   1.2712  118.018   1.5740 1.486595 2.023263 
1 1 1    1   12   16 o  164.026   1.0344 26094.36  328.408 25773.85  446.606 26471.71  484.595  162.932   1.4121  165.120   1.5119 -2.187469 2.068734 
1 1 1    1   12   17 o  165.736   1.2222 26704.81  392.202 26294.12  573.348 27066.01  537.683  164.533   1.7951  166.940   1.6592 -2.406403 2.444489 
1 1 1    1   12   18 o  106.290   0.9884 10889.82  196.531 10676.13  245.765 11268.85  327.315  104.861   1.2074  107.720   1.5653 -2.858833 1.976862 
1 1 1    1   12   19 o  263.511   1.3111 67474.38  667.831 67476.43  903.898 67471.92  991.014  263.530   1.7670  263.493   1.9375 0.3686523E-01 2.622229 
1 1 1    1   12   20 o  147.484   1.0864 21141.57  310.638 21312.10  429.599 20954.71  449.706  148.111   1.4942  146.856   1.5775 1.255142 2.172827 
1 1 1    1   12   21 o  125.440   0.9320 15285.09  226.927 15151.90  320.207 15419.49  321.645  124.891   1.3208  125.989   1.3152 -1.098480 1.863903 
1 1 1    1   12   22 o   68.414   0.7171  4547.31   95.196  4419.62  135.046  4673.42  134.213   67.458   1.0313   69.370   0.9967 -1.911385 1.434212 
1 1 1    1   12   23 o  151.633   1.1720 22357.49  344.979 22345.94  488.390 22369.00  487.360  151.594   1.6597  151.673   1.6553 -0.7891846E-01 2.344033 
1 1 1    1   12   24 o  115.566   0.9762 12982.68  218.984 12911.06  310.589 13053.49  308.801  115.248   1.3883  115.884   1.3727 -0.6359177 1.952385 
1 1 1    1   12   25 o   27.947   1.1260  762.772   60.806  721.928   88.859  798.739   83.386   27.237   1.6806   28.657   1.4990 -1.419968 2.251977 
1 1 1    1   12   26 o  100.311   0.9502  9786.18  185.013  9713.79  261.622  9858.60  261.674   99.939   1.3486  100.683   1.3389 -0.7435989 1.900316 
1 1 1    1   12   27 o   93.749   0.9140  8547.75  166.292  8660.98  238.042  8439.82  232.404   94.354   1.2997   93.144   1.2854 1.210075 1.827912 
1 1 1    1   12   28 o   22.042   1.4183  476.954   60.497  446.622   87.046  505.296   84.141   21.354   2.1000   22.731   1.9069 -1.377480 2.836529 
1 1 1    1   12   29 o   12.117   2.4472  152.310   61.122  122.137   90.920  177.190   82.562   11.168   3.6467   13.066   3.2646 -1.897325 4.894478 
1 1 1    1   12   30 o   40.066   0.9076  1566.79   70.540  1593.32  101.909  1542.39   97.739   40.388   1.2999   39.743   1.2669 0.6444817 1.815112 
1 1 1    1   12   31 o   26.985   1.2677  718.411   66.326  741.810   96.715  697.637   91.133   27.392   1.8189   26.578   1.7664 0.8142529 2.535473 
1 1 1    1   12   32 o   24.370   1.4137  606.061   64.941  455.156   93.589  746.188   90.185   21.283   2.2654   27.458   1.6920 -6.175436 2.827499 
1 1 1    1   12   33 o   34.088   1.0878  1152.33   71.900  1134.32  103.627  1169.05   99.844   33.812   1.5788   34.364   1.4968 -0.5516777 2.175559 
1 1 1    1   12   34 o   24.847   1.4705  628.706   70.369  632.559  106.384  625.708   93.828   24.840   2.2063   24.853   1.9448 -0.1300812E-01 2.941081 
1 1 1    1   13    0 o  122.431   0.9733 14449.88  224.971 14130.82  285.096 14976.43  366.249  120.654   1.2173  124.208   1.5190 -3.553886 1.946564 
1 1 1    1   13    1 o  101.894   0.9921 10078.31  196.234 10152.21  278.076 10005.00  276.961  102.266   1.4008  101.522   1.4054 0.7442169 1.984254 
1 1 1    1   13    2 o  214.817   1.5786 44906.95  647.862 45382.48  846.734 44235.43  1006.19  216.200   2.0176  213.434   2.4286 2.765427 3.157292 
1 1 1    1   13    3 o  194.872   1.3918 36849.00  526.302 35944.99  732.905 37811.51  756.251  192.406   1.9623  197.338   1.9742 -4.931885 2.783527 
1 1 1    1   13    4 o  197.054   1.4105 37708.37  539.508 37634.94  758.940 37783.39  767.084  196.860   1.9860  197.247   2.0034 -0.3869171 2.820971 
1 1 1    1   13    5 o   38.462   0.5193  1435.36   38.732  1423.96   53.463  1447.96   56.189   38.301   0.7191   38.622   0.7495 -0.3212776 1.038634 
1 1 1    1   13    6 o  107.680   0.9211 11230.99  184.316 11167.64  229.278 11346.73  309.894  107.256   1.1012  108.104   1.4767 -0.8483353 1.842136 
1 1 1    1   13    7 o  135.049   0.9796 17724.54  252.967 17810.98  330.841 17602.88  392.511  135.449   1.2583  134.649   1.5017 0.8000946 1.959174 
1 1 1    1   13    8 o  218.711   1.0932 46470.63  462.365 46078.94  682.815 46802.30  628.342  217.857   1.6146  219.566   1.4742 -1.708557 2.186393 
1 1 1    1   13    9 o  112.257   0.7875 12228.87  171.323 12287.86  249.807 12176.49  235.407  112.512   1.1438  112.001   1.0828 0.5104523 1.574990 
1 1 1    1   13   10 o  189.751   1.0062 34946.49  370.586 35359.13  527.810 34545.29  520.443  190.856   1.4246  188.646   1.4212 2.209137 2.012330 
1 1 1    1   13   11 o  433.480   1.3863 182360.59  1164.96 181203.80  1604.00 183652.00  1694.74  432.029   1.9126  434.932   2.0073 -2.903351 2.772624 
1 1 1    1   13   12 o  136.190   0.8853 18001.81  234.028 18261.72  333.276 17748.98  328.703  137.160   1.2517  135.221   1.2523 1.939285 1.770594 
1 1 1    1   13   13 o  255.317   1.3019 63339.74  631.088 63539.93  812.544 63035.39  1001.90  255.834   1.6362  254.801   2.0256 1.032791 2.603863 
1 1 1    1   13   14 o  145.600   0.9346 20576.62  264.135 20794.30  376.368 20365.36  370.781  146.359   1.3247  144.842   1.3187 1.517303 1.869222 
1 1 1    1   13   15 o  144.189   0.9458 20179.89  264.669 20366.35  378.487 20001.46  370.247  144.840   1.3462  143.537   1.3288 1.302963 1.891523 
1 1 1    1   13   16 f  207.998   1.1122 42007.66  449.044 41945.57  634.306 42070.04  635.785  207.844   1.5722  208.152   1.5735 -0.3080750 2.224306 
1 1 1    1   13   17 o  188.523   1.1263 34493.13  411.003 34216.38  559.550 34817.38  605.679  187.706   1.5357  189.340   1.6479 -1.633392 2.252526 
1 1 1    1   13   18 o  125.927   0.9440 15397.99  230.755 15376.17  326.961 15419.64  325.715  125.838   1.3385  126.016   1.3315 -0.1780167 1.887998 
1 1 1    1   13   19 o   48.189   0.6568  2255.21   61.405  2233.34   88.126  2275.85   85.610   47.961   0.9466   48.416   0.9109 -0.4548264 1.313661 
1 1 1    1   13   20 o   44.863   0.6763  1955.34   58.857  1915.20   84.160  1993.78   82.343   44.412   0.9762   45.315   0.9361 -0.9026527 1.352505 
1 1 1    1   13   21 o   42.459   0.7380  1754.77   60.678  1669.79   87.487  1833.53   84.228   41.465   1.0869   43.453   0.9986 -1.987503 1.475973 
1 1 1    1   13   22 o   96.479   0.8743  9037.78  163.693  8747.64  228.591  9343.15  234.514   94.891   1.2410   98.068   1.2319 -3.177383 1.748618 
1 1 1    1   13   23 o   84.822   1.0155  7026.84  158.084  7098.33  194.693  6888.49  270.829   85.478   1.1734   84.166   1.6577 1.312294 2.030902 
1 1 1    1   13   24 o   84.365   0.8261  6913.94  135.232  6970.02  194.581  6861.54  188.080   84.694   1.1835   84.035   1.1530 0.6592941 1.652297 
1 1 1    1   13   25 o   16.262   1.8975  268.428   57.056  226.672   86.022  301.226   76.239   14.948   3.0674   17.576   2.2346 -2.627548 3.795012 
1 1 1    1   13   26 o   49.977   0.9771  2428.64   91.007  2426.61  113.758  2432.23  151.681   49.963   1.1729   49.991   1.5631 -0.2779770E-01 1.954206 
1 1 1    1   13   27 f   53.836   0.7891  2819.11   82.438  2759.06  117.243  2877.83  115.937   53.267   1.1339   54.405   1.0978 -1.137573 1.578227 
1 1 1    1   13   28 o   38.304   0.8990  1425.90   66.772  1502.92   97.102  1356.80   91.967   39.283   1.2734   37.325   1.2693 1.957890 1.797970 
1 1 1    1   13   29 o   36.292   0.9481  1287.62   66.601  1246.41   96.984  1324.41   91.620   35.733   1.3982   36.851   1.2808 -1.118053 1.896129 
1 1 1    1   13   30 o   38.024   0.9356  1412.70   68.957  1419.56  100.420  1406.58   94.857   38.105   1.3576   37.944   1.2878 0.1607552 1.871270 
1 1 1    1   13   31 o   19.392   1.7040  376.623   64.074  394.871   93.273  360.318   88.171   19.832   2.4228   18.951   2.3967 0.8808289 3.407967 
1 1 1    1   13   32 o   11.354   2.3430  121.382   62.583  234.895   92.318   24.858   85.129   14.740   3.3078   7.9683   3.3193 6.771327 4.686045 
1 1 1    1   13   33 f   17.581   1.9349  320.032   65.954  328.519   96.058  312.462   90.717   17.781   2.7829   17.380   2.6890 0.4019566 3.869789 
1 1 1    1   13   34 o   32.541   1.1383  1056.54   71.674  1093.61  106.372  1025.72   96.999   33.033   1.6589   32.050   1.5591 0.9826202 2.276566 
1 1 1    1   14    0 o   93.189   0.8234  8422.42  143.956  8401.27  181.486  8458.32  236.400   93.033   1.0049   93.345   1.3046 -0.3125763 1.646813 
1 1 1    1   14    1 o  201.889   1.3960 39574.98  547.081 39834.12  773.872 39316.09  773.505  202.550   1.9682  201.229   1.9802 1.321793 2.791959 
1 1 1    1   14    2 o   40.422   1.7936  1583.31  140.553  1481.81  193.853  1695.81  204.087   39.059   2.5567   41.785   2.5161 -2.725788 3.587142 
1 1 1    1   14    3 o   28.598   0.4473  793.109   24.778  783.601   33.836  804.103   36.385   28.413   0.6135   28.782   0.6512 -0.3691959 0.8946724 
1 1 1    1   14    4 o  205.330   1.4176 40943.84  564.993 40634.59  792.814 41262.96  805.377  204.543   1.9967  206.117   2.0129 -1.574310 2.835263 
1 1 1    1   14    5 f  153.581   1.1159 22917.92  320.767 22959.37  403.500 22846.75  528.742  153.778   1.3517  153.383   1.7758 0.3949280 2.231743 
1 1 1    1   14    6 o   57.951   0.6795  3258.35   76.422  3330.10  109.702  3190.70  106.523   58.571   0.9649   57.332   0.9572 1.238934 1.359083 
1 1 1    1   14    7 f   74.551   0.6992  5398.41   98.064  5408.38  124.261  5381.94  159.670   74.644   0.8576   74.459   1.1047 0.1851273 1.398497 
1 1 1    1   14    8 o   70.405   0.6802  4812.73   90.494  4816.81  115.474  4806.24  145.684   70.445   0.8444   70.366   1.0666 0.7869720E-01 1.360381 
1 1 1    1   14    9 o  238.845   1.1480 55407.33  529.813 55089.41  786.665 55671.24  716.745  238.216   1.7012  239.475   1.5418 -1.259171 2.295939 
1 1 1    1   14   10 o   67.713   0.6863  4434.79   86.168  4502.85  145.788  4398.25  106.824   68.110   1.1027   67.315   0.8175 0.7945099 1.372661 
1 1 1    1   14   11 o  248.038   1.1299 59724.21  544.011 59713.02  769.321 59735.39  769.375  248.015   1.5980  248.061   1.5978 -0.4646301E-01 2.259721 
1 1 1    1   14   12 o  353.471   1.2904 121271.40  884.042 120811.30  1215.83 121787.50  1287.71  352.762   1.7755  354.180   1.8730 -1.417450 2.580789 
1 1 1    1   14   13 o  198.477   1.1129 38273.52  426.660 38557.25  576.610 37930.19  634.282  199.293   1.4905  197.662   1.6531 1.631683 2.225802 
1 1 1    1   14   14 o  201.075   1.1885 39251.27  456.919 39246.58  596.668 39257.91  710.496  201.065   1.5287  201.085   1.8202 -0.1985168E-01 2.377001 
1 1 1    1   14   15 o  100.098   0.7796  9725.80  151.467  9768.91  216.131  9684.18  212.332  100.316   1.1099   99.880   1.0951 0.4357758 1.559231 
1 1 1    1   14   16 f  136.800   0.9383 18163.18  249.093 18434.55  357.220 17906.34  347.521  137.794   1.3355  135.806   1.3182 1.987930 1.876516 
1 1 1    1   14   17 o  170.217   1.2067 28141.35  398.716 27909.86  563.280 28373.82  564.461  169.515   1.7118  170.919   1.7013 -1.403915 2.413421 
1 1 1    1   14   18 o   60.125   0.7386  3533.36   84.638  3643.42  110.681  3378.36  131.347   61.262   0.9307   58.988   1.1471 2.273922 1.477170 
1 1 1    1   14   19 o   73.326   0.7069  5220.82  100.619  5158.31  142.312  5283.30  142.282   72.887   1.0058   73.765   0.9936 -0.8781281 1.413871 
1 1 1    1   14   20 o   98.671   0.8269  9453.54  158.349  9543.66  226.768  9367.79  221.215   99.130   1.1785   98.213   1.1603 0.9166718 1.653817 
1 1 1    1   14   21 o   60.650   0.6881  3570.80   80.963  3603.95  116.750  3540.08  112.374   60.921   0.9873   60.379   0.9588 0.5413513 1.376190 
1 1 1    1   14   22 o   37.873   0.7845  1390.64   57.609  1445.48   84.033  1342.01   79.132   38.576   1.1222   37.171   1.0967 1.405788 1.569091 
1 1 1    1   14   23 o   80.623   0.7824  6315.57  122.397  6264.46  175.178  6364.32  171.087   80.303   1.1238   80.943   1.0889 -0.6396942 1.564769 
1 1 1    1   14   24 o   78.818   0.7952  6036.01  121.608  6037.53  174.689  6034.58  169.391   78.827   1.1416   78.810   1.1072 0.1665497E-01 1.590385 
1 1 1    1   14   25 o   46.044   0.7943  2061.07   70.854  2045.86  103.246  2074.61   97.413   45.881   1.1592   46.206   1.0861 -0.3248940 1.588506 
1 1 1    1   14   26 o  134.704   1.2051 17665.95  315.057 17895.63  451.109 17447.23  440.207  135.556   1.7143  133.852   1.6942 1.703751 2.410252 
1 1 1    1   14   27 o   20.740   1.8442  358.635   67.956  604.998  133.103  271.776   79.033   24.823   2.7623   16.658   2.4441 8.164921 3.688354 
1 1 1    1   14   28 f   33.303   0.9904  1087.48   63.602  1008.34   93.246  1156.34   86.975   32.153   1.4940   34.452   1.3005 -2.299286 1.980713 
1 1 1    1   14   29 o   9.6744   2.3676   72.130   60.025  -2.6852   86.167  142.663   83.664   7.5612   3.2522   11.788   3.4418 -4.226312 4.735217 
1 1 1    1   14   30 o   34.062   1.0144  1129.64   66.808  1203.39  100.046  1070.28   89.751   35.053   1.4703   33.072   1.3980 1.981110 2.028872 
1 1 1    1   14   31 o   31.001   1.1401  956.838   67.829  865.841  100.636  1032.59   91.819   29.594   1.7518   32.408   1.4595 -2.814922 2.280153 
1 1 1    1   14   32 o   15.806   2.1933  266.357   64.492  271.148   97.344  262.609   86.099   15.861   3.2703   15.752   2.9235 0.1091805 4.386534 
1 1 1    1   14   33 o   25.532   1.3757  653.826   67.851  667.119  101.463  643.072   91.259   25.727   2.0317   25.337   1.8554 0.3900242 2.751416 
1 1 1    1   14   34 o   9.2902   2.6159   58.123   78.626  131.026   99.619 -62.3199  128.045   10.861   3.8150   7.7197   3.5801 3.140953 5.231717 
1 1 1    1   15    0 o   47.478   0.4909  2183.54   42.829  2174.23   52.620  2201.82   73.721   47.329   0.5727   47.627   0.7974 -0.2984428 0.9817693 
1 1 1    1   15    1 o  156.324   1.2677 23727.26  384.681 23568.42  541.513 23889.07  546.563  155.796   1.7906  156.852   1.7951 -1.056046 2.535431 
1 1 1    1   15    2 o  101.094   0.9775  9917.14  191.761  9709.28  267.341 10137.42  275.213  100.003   1.3772  102.184   1.3875 -2.180832 1.954900 
1 1 1    1   15    3 o   57.199   0.6638  3169.89   73.607  3059.36  101.057  3294.78  107.425   56.139   0.9273   58.259   0.9499 -2.119762 1.327504 
1 1 1    1   15    4 o   52.800   0.6257  2699.04   64.014  2593.02   87.392  2821.80   94.032   51.684   0.8711   53.916   0.8985 -2.231613 1.251391 
1 1 1    1   15    5 o   70.218   0.6927  4771.68   89.645  4740.38  110.419  4832.19  153.541   69.882   0.8140   70.553   1.1211 -0.6703720 1.385430 
1 1 1    1   15    6 o   63.815   0.6407  3970.00   75.779  4010.80   94.344  3895.83  127.211   64.281   0.7561   63.350   1.0345 0.9303207 1.281310 
1 1 1    1   15    7 o  145.805   1.0977 20680.04  299.263 20791.80  376.272 20487.65  493.696  146.348   1.3245  145.263   1.7508 1.085068 2.195371 
1 1 1    1   15    8 o  216.551   1.2187 45479.52  509.201 45109.09  682.127 45945.73  765.258  215.559   1.6302  217.543   1.8122 -1.984161 2.437496 
1 1 1    1   15    9 o  107.831   1.0020 11281.62  209.033 11222.47  283.810 11351.75  309.032  107.523   1.3598  108.139   1.4722 -0.6163788 2.004046 
1 1 1    1   15   10 o  321.780   1.3074 100485.90  814.828 101007.10  1194.56 100032.40  1114.30  322.558   1.9078  321.002   1.7883 1.555511 2.614883 
1 1 1    1   15   11 o   61.634   0.7367  3686.39   88.101  3716.70  126.731  3658.03  122.562   61.879   1.0551   61.389   1.0285 0.4902000 1.473409 
1 1 1    1   15   12 o   95.092   0.9630  8786.94  177.387  8935.86  244.358  8621.04  257.916   95.945   1.3120   94.238   1.4099 1.706268 1.925926 
1 1 1    1   15   13 o  212.136   1.1009 43688.40  453.350 43439.19  640.901 43937.96  641.366  211.531   1.5608  212.742   1.5531 -1.211166 2.201852 
1 1 1    1   15   14 o  106.027   0.9090 10896.39  182.968 10834.73  235.048 10991.20  291.473  105.648   1.1461  106.405   1.4111 -0.7564468 1.817944 
1 1 1    1   15   15 o   42.472   0.6214  1751.58   51.123  1742.54   74.673  1759.55   70.136   42.369   0.9079   42.576   0.8486 -0.2065887 1.242775 
1 1 1    1   15   16 o   42.865   0.6333  1781.00   52.624  1831.48   76.887  1736.51   72.179   43.436   0.9119   42.295   0.8791 1.140888 1.266658 
1 1 1    1   15   17 o  213.506   1.2112 44254.31  498.515 44453.20  751.293 44097.86  666.341  213.926   1.8092  213.087   1.6109 0.8394470 2.422433 
1 1 1    1   15   18 f   49.627   0.6357  2393.65   61.174  2306.63   87.506  2476.83   85.554   48.744   0.9248   50.511   0.8726 -1.767052 1.271468 
1 1 1    1   15   19 o   83.559   0.7477  6780.21  121.250  6761.06  173.355  6798.55  169.652   83.443   1.0702   83.675   1.0445 -0.2319717 1.495442 
1 1 1    1   15   20 o   67.041   0.6863  4364.18   89.302  4270.04  125.932  4459.41  126.656   66.313   0.9783   67.768   0.9628 -1.454956 1.372600 
1 1 1    1   15   21 o  157.769   1.0886 24195.02  332.727 24112.86  485.850 24267.59  456.604  157.510   1.5890  158.028   1.4885 -0.5178833 2.177281 
1 1 1    1   15   22 o  155.895   1.2566 23634.46  380.257 23724.11  539.407 23545.88  536.136  156.188   1.7791  155.601   1.7750 0.5870819 2.513138 
1 1 1    1   15   23 o  104.409   0.9352 10589.46  189.483 10753.40  272.220 10435.38  263.911  105.191   1.3331  103.626   1.3120 1.565079 1.870433 
1 1 1    1   15   24 o   75.386   0.7706  5517.60  112.693  5624.44  163.056  5419.90  155.928   76.083   1.1040   74.689   1.0755 1.394211 1.541287 
1 1 1    1   15   25 o   50.634   0.7643  2485.79   74.908  2562.13  110.911  2421.77  101.575   51.345   1.1128   49.923   1.0482 1.422573 1.528696 
1 1 1    1   15   26 o   59.290   0.9509  3395.06  105.613  3328.98  132.338  3510.95  175.266   58.517   1.1650   60.063   1.5032 -1.545601 1.901837 
1 1 1    1   15   27 f   55.331   0.7751  2978.22   82.978  2964.83  122.310  2989.64  112.945   55.211   1.1412   55.451   1.0493 -0.2394638 1.550291 
1 1 1    1   15   28 o   63.689   0.7851  3947.21   96.937  3965.85  140.834  3930.43  133.630   63.828   1.1367   63.551   1.0832 0.2771034 1.570153 
1 1 1    1   15   29 o   35.284   0.9649  1210.48   65.911  1280.06   97.704  1152.38   89.289   36.207   1.3901   34.361   1.3387 1.845753 1.929884 
1 1 1    1   15   30 o   19.209   1.6652  362.082   61.295  453.511   92.083  289.338   82.136   21.383   2.2184   17.034   2.4840 4.349722 3.330407 
1 1 1    1   15   31 o   36.142   1.0047  1290.62   70.090  1173.17  101.183  1398.98   97.183   34.523   1.5098   37.760   1.3258 -3.236652 2.009344 
1 1 1    1   15   32 o   30.980   1.1360  967.081   66.923  834.320  100.669  1072.21   89.584   28.968   1.7903   32.992   1.3988 -4.024603 2.271922 
1 1 1    1   15   33 o   10.307   2.3406   95.343   64.436 -25.8691   94.520  200.583   88.073   7.1976   3.2359   13.416   3.3826 -6.218298 4.681129 
1 1 1    1   15   34 o   12.860   2.9555  181.217   95.001  323.205  137.591   51.856  131.331   16.199   4.3029   9.5213   4.0528 6.677319 5.910996 
1 1 1    1   16    0 o   37.566   0.5033  1367.72   36.667  1322.32   50.552  1418.13   53.264   36.909   0.7056   38.223   0.7179 -1.313663 1.006566 
1 1 1    1   16    1 o  119.661   1.0929 13901.54  253.850 13787.15  356.200 14019.58  361.862  119.161   1.5399  120.161   1.5514 -0.9998779 2.185882 
1 1 1    1   16    2 o   41.152   0.5283  1641.57   42.167  1590.42   58.206  1698.07   61.171   40.478   0.7408   41.825   0.7534 -1.347317 1.056592 
1 1 1    1   16    3 o  248.253   1.7501 59881.59  843.243 59965.34  1183.31 59795.18  1201.96  248.432   2.4537  248.075   2.4960 0.3572083 3.500105 
1 1 1    1   16    4 o  250.243   1.7596 60840.48  854.710 61393.55  1206.61 60283.48  1210.88  251.386   2.4726  249.100   2.5042 2.286011 3.519208 
1 1 1    1   16    5 o  280.897   1.6912 76592.62  913.415 76262.85  1210.04 77029.44  1392.65  280.211   2.2246  281.584   2.5478 -1.373657 3.382335 
1 1 1    1   16    6 o  153.618   1.1509 22743.02  328.387 22342.34  407.062 23489.78  555.715  151.702   1.3823  155.534   1.8406 -3.831833 2.301864 
1 1 1    1   16    7 o  134.642   1.0686 17566.38  267.844 17484.25  333.969 17714.44  448.407  134.206   1.2819  135.079   1.7101 -0.8724670 2.137243 
1 1 1    1   16    8 o  155.214   1.0904 23300.26  323.782 22891.36  421.670 23887.73  505.419  153.563   1.4146  156.865   1.6598 -3.301956 2.180825 
1 1 1    1   16    9 o   61.460   0.6380  3634.34   73.085  3554.81   90.909  3779.67  122.892   60.518   0.7739   62.401   1.0145 -1.883785 1.275975 
1 1 1    1   16   10 o  194.011   1.1888 36534.73  444.106 36496.46  591.470 36584.21  672.407  193.897   1.5714  194.125   1.7844 -0.2282410 2.377684 
1 1 1    1   16   11 o  226.320   1.2709 49752.73  555.316 49979.85  748.292 49474.33  828.487  226.898   1.6989  225.742   1.8906 1.156448 2.541823 
1 1 1    1   16   12 o  324.909   1.3186 102510.30  826.973 102300.80  1236.35 102680.00  1112.47  324.604   1.9621  325.215   1.7622 -0.6109924 2.637262 
1 1 1    1   16   13 o  182.809   1.0409 32443.69  369.368 32299.20  523.379 32587.07  521.359  182.403   1.4781  183.215   1.4659 -0.8113708 2.081790 
1 1 1    1   16   14 o  317.771   1.2587 98042.19  776.431 97703.54  1093.54 98386.45  1102.60  317.218   1.7759  318.324   1.7844 -1.106140 2.517466 
1 1 1    1   16   15 o   78.709   0.8097  6016.39  119.994  6023.67  152.229  6004.46  194.998   78.774   0.9955   78.644   1.2773 0.1293793 1.619439 
1 1 1    1   16   16 f  116.228   0.8630 13109.82  194.580 12957.21  269.638 13275.64  281.073  115.523   1.2024  116.933   1.2383 -1.409782 1.725995 
1 1 1    1   16   17 o   63.401   0.7600  3875.81   90.734  3795.57  114.533  4011.04  148.685   62.528   0.9436   64.274   1.1917 -1.746315 1.520039 
1 1 1    1   16   18 o  111.385   1.0000 12036.01  209.236 12101.06  342.592 11997.31  264.244  111.617   1.5812  111.154   1.2247 0.4625244 1.999987 
1 1 1    1   16   19 o  113.750   0.8689 12561.58  191.812 12764.66  275.263 12369.89  267.434  114.643   1.2369  112.857   1.2207 1.785759 1.737847 
1 1 1    1   16   20 o  104.489   0.8649 10605.00  175.420 10558.84  249.044 10650.45  247.130  104.263   1.2305  104.715   1.2158 -0.4522171 1.729801 
1 1 1    1   16   21 o  116.338   1.0808 13214.23  237.410 13419.39  303.701 12891.87  380.690  117.523   1.3312  115.152   1.7031 2.370941 2.161634 
1 1 1    1   16   22 o   62.038   0.8392  3737.89   97.246  3735.15  121.912  3742.69  161.247   62.015   1.0127   62.062   1.3384 -0.4740906E-01 1.678396 
1 1 1    1   16   23 o   58.859   0.7221  3368.65   82.374  3290.46  119.079  3440.40  114.071   58.201   1.0540   59.516   0.9874 -1.314270 1.444225 
1 1 1    1   16   24 o   90.427   0.8436  7947.27  148.046  7930.29  211.336  7963.65  207.455   90.331   1.2052   90.523   1.1806 -0.1922455 1.687128 
1 1 1    1   16   25 o   48.002   0.9805  2289.68   87.908  2442.80  112.370  2048.14  141.131   50.131   1.1547   45.873   1.5849 4.257961 1.960950 
1 1 1    1   16   26 o  126.055   1.1368 15444.43  277.866 16044.64  404.850 14909.89  382.063  128.362   1.6248  123.748   1.5905 4.613930 2.273665 
1 1 1    1   16   27 o   26.037   1.2344  660.527   62.072  670.732   92.908  652.299   83.422   26.212   1.8259   25.862   1.6617 0.3499298 2.468827 
1 1 1    1   16   28 o   27.646   1.1944  764.141   62.572  606.132   91.679  901.931   85.613   24.883   1.8980   30.408   1.4504 -5.524237 2.388742 
1 1 1    1   16   29 o   36.814   1.2299  1333.69   78.232  1316.06  149.216  1340.37   91.871   36.563   2.1023   37.064   1.2769 -0.5009117 2.459743 
1 1 1    1   16   30 f   25.869   1.2359  652.656   61.763  729.832   92.892  591.503   82.689   27.224   1.7577   24.513   1.7377 2.711418 2.471730 
1 1 1    1   16   31 o   42.746   0.8979  1788.83   74.412  1839.18  108.489  1744.11  102.258   43.306   1.2905   42.186   1.2487 1.120323 1.795763 
1 1 1    1   16   32 o   27.776   1.2579  776.417   66.848  698.440  100.072  839.250   89.830   26.433   1.9503   29.118   1.5893 -2.684635 2.515818 
1 1 1    1   16   33 o   7.9760   2.3911   11.565   65.177   60.577   97.831 -27.5503   87.397   9.0774   3.6421   6.8747   3.0991 2.202716 4.782242 
1 1 1    1   17    0 o  122.402   1.0089 14486.84  232.575 14303.75  294.211 14791.85  379.741  121.380   1.2487  123.424   1.5850 -2.043335 2.017751 
1 1 1    1   17    1 o  155.867   1.2553 23587.25  379.757 23290.06  531.464 23897.28  542.830  154.864   1.7679  156.869   1.7826 -2.005066 2.510626 
1 1 1    1   17    2 o  202.971   1.4322 40010.17  564.210 39853.32  791.241 40172.42  804.758  202.567   2.0122  203.375   2.0385 -0.8075714 2.864320 
1 1 1    1   17    3 o  150.033   1.2630 21856.21  367.814 21710.16  516.002 22007.07  524.434  149.524   1.7778  150.542   1.7946 -1.018280 2.526073 
1 1 1    1   17    4 o   42.914   0.5587  1787.69   46.515  1790.68   64.786  1784.52   66.825   42.951   0.7770   42.877   0.8029 0.7397079E-01 1.117318 
1 1 1    1   17    5 o  286.895   1.7153 79926.98  946.691 79760.55  1256.66 80145.35  1439.55  286.565   2.2591  287.225   2.5819 -0.6595154 3.430678 
1 1 1    1   17    6 o  110.683   0.9497 11816.58  193.772 11653.88  238.320 12133.94  332.849  109.570   1.1205  111.797   1.5337 -2.227661 1.899433 
1 1 1    1   17    7 o  169.361   1.2055 27739.91  381.974 27453.05  478.771 28242.25  633.569  168.167   1.4666  170.556   1.9136 -2.389511 2.411031 
1 1 1    1   17    8 o  250.390   1.2823 60815.17  620.360 60361.70  836.429 61369.60  924.864  249.356   1.7280  251.424   1.8950 -2.068130 2.564559 
1 1 1    1   17    9 o   66.482   0.7352  4290.25   94.875  4317.23  134.124  4263.23  134.225   66.691   1.0360   66.273   1.0433 0.4184494 1.470348 
1 1 1    1   17   10 o   23.357   0.6796  514.206   29.639  477.277   36.600  584.563   50.518   22.175   0.8503   24.540   1.0605 -2.365675 1.359256 
1 1 1    1   17   11 o  147.877   1.0895 21210.55  307.785 21128.14  400.718 21329.13  480.651  147.530   1.3992  148.225   1.6705 -0.6951599 2.179088 
1 1 1    1   17   12 o   48.194   0.7634  2254.60   71.393  2255.50  102.442  2253.75   99.550   48.204   1.0948   48.185   1.0643 0.1849365E-01 1.526855 
1 1 1    1   17   13 o  266.478   1.1886 68939.95  614.820 69154.38  869.497 68725.52  869.476  266.892   1.6783  266.063   1.6835 0.8290405 2.377134 
1 1 1    1   17   14 o   43.515   0.6404  1842.24   53.814  1793.69   79.686  1882.95   72.966   42.986   0.9550   44.044   0.8534 -1.057232 1.280745 
1 1 1    1   17   15 f  167.719   1.0146 27311.35  330.317 27376.77  467.208 27245.97  467.071  167.920   1.4333  167.518   1.4363 0.4017487 2.029157 
1 1 1    1   17   16 o  101.685   0.9939 10037.62  196.074 10119.68  282.417  9961.27  272.434  102.085   1.4252  101.285   1.3856 0.8008423 1.987735 
1 1 1    1   17   17 o  110.530   0.8404 11858.89  180.264 11978.17  258.185 11745.45  251.800  111.072   1.1975  109.988   1.1794 1.083687 1.680715 
1 1 1    1   17   18 o   89.761   0.7783  7822.25  135.533  7853.73  195.317  7793.01  188.226   89.935   1.1188   89.588   1.0823 0.3471069 1.556646 
1 1 1    1   17   19 o   32.637   0.9245  1014.48   54.269  1087.82   98.788  982.781   64.946   33.462   1.5209   31.813   1.0517 1.648371 1.849067 
1 1 1    1   17   20 o   91.866   0.9365  8209.61  161.491  8243.32  204.089  8153.16  264.108   92.129   1.1412   91.603   1.4853 0.5255432 1.873057 
1 1 1    1   17   21 o  138.870   1.0970 18742.86  295.684 18865.48  421.944 18624.53  414.476  139.315   1.5602  138.425   1.5425 0.8902283 2.193997 
1 1 1    1   17   22 o   70.300   0.7415  4797.04  101.098  4870.25  146.527  4730.52  139.668   70.810   1.0660   69.789   1.0310 1.021553 1.482985 
1 1 1    1   17   23 o   43.558   0.7703  1843.14   64.877  1843.39   96.076  1842.94   87.960   43.559   1.1362   43.557   1.0403 0.1926422E-02 1.540545 
1 1 1    1   17   24 f   94.317   0.8847  8642.54  161.938  8367.86  226.409  8930.24  231.713   92.783   1.2571   95.851   1.2453 -3.068420 1.769489 
1 1 1    1   17   25 o   60.453   0.7591  3554.07   88.809  3519.95  130.481  3583.51  121.219   60.179   1.1170   60.726   1.0283 -0.5474052 1.518240 
1 1 1    1   17   26 o   54.696   0.7866  2910.99   83.297  2868.99  121.869  2947.81  114.113   54.322   1.1557   55.070   1.0675 -0.7480507 1.573268 
1 1 1    1   17   27 f   48.881   0.7911  2317.13   74.779  2405.09  111.479  2245.19  100.827   49.718   1.1551   48.044   1.0811 1.673779 1.582110 
1 1 1    1   17   28 o   46.416   0.8262  2090.23   74.240  2203.61  110.033  1995.48  100.584   47.564   1.1917   45.268   1.1446 2.295708 1.652402 
1 1 1    1   17   29 o   85.942   0.8721  7206.38  145.420  7162.03  208.439  7248.42  202.980   85.677   1.2533   86.206   1.2130 -0.5294342 1.744135 
1 1 1    1   17   30 o   10.872   2.3619  100.830   59.926  206.241   93.023   26.051   78.350   13.909   3.4596   7.8355   3.2164 6.073679 4.723812 
1 1 1    1   17   31 o   14.663   2.1890  219.468   61.579  298.773   93.952  159.742   81.534   17.123   2.8266   12.203   3.3432 4.920095 4.377964 
1 1 1    1   17   32 o   16.501   2.0656  284.515   64.303  339.049   94.736  237.926   87.564   18.164   2.6868   14.838   3.1380 3.325871 4.131114 
1 1 1    1   17   33 o   15.969   2.2168  272.042   67.150  342.341  100.974  216.298   89.914   18.035   2.8842   13.903   3.3673 4.131902 4.433696 
1 1 1    1   18    0 o  105.810   0.9334 10886.67  185.572 10938.63  234.911 10800.42  302.655  106.150   1.1400  105.470   1.4783 0.6798477 1.866801 
1 1 1    1   18    1 o   14.065   2.8944  195.274   83.622  184.050  113.865  208.415  123.204   13.653   4.0234   14.478   4.1621 -0.8243151 5.788846 
1 1 1    1   18    2 o   88.771   0.9296  7649.99  160.187  7765.32  227.423  7536.44  225.665   89.435   1.3100   88.107   1.3194 1.328064 1.859284 
1 1 1    1   18    3 o   87.393   0.8858  7413.61  150.250  7361.03  210.395  7468.33  214.639   87.077   1.2447   87.709   1.2607 -0.6320648 1.771602 
1 1 1    1   18    4 o   11.510   0.8312  127.138   18.466  112.978   24.646  145.259   27.881   10.788   1.1769   12.232   1.1742 -1.444479 1.662460 
1 1 1    1   18    5 o  133.898   1.2061 17406.45  313.453 17367.20  439.827 17446.96  446.834  133.745   1.6941  134.052   1.7172 -0.3062134 2.412171 
1 1 1    1   18    6 o  208.489   1.3114 42123.88  512.631 41903.81  645.278 42500.40  844.043  207.760   1.6000  209.217   2.0783 -1.457855 2.622823 
1 1 1    1   18    7 o   34.621   0.5007  1167.35   32.605  1179.75   41.405  1147.11   52.901   34.864   0.6118   34.378   0.7927 0.4859772 1.001356 
1 1 1    1   18    8 o  198.258   1.2841 38033.82  475.601 37706.12  595.166 38612.80  791.099  197.086   1.5557  199.430   2.0435 -2.344467 2.568269 
1 1 1    1   18    9 f  302.799   1.3788 88935.85  807.967 88057.58  1097.79 89973.91  1193.47  301.172   1.8778  304.426   2.0196 -3.253784 2.757675 
1 1 1    1   18   10 o   36.584   0.5618  1273.47   38.544  1205.69   48.043  1395.92   64.567   35.245   0.7022   37.923   0.8771 -2.678165 1.123573 
1 1 1    1   18   11 f  153.835   1.1962 22864.70  342.602 22592.81  426.511 23359.19  575.201  152.557   1.4402  155.113   1.9103 -2.556152 2.392406 
1 1 1    1   18   12 o  252.980   1.3381 62111.10  654.039 61863.65  882.498 62412.64  974.187  252.426   1.8010  253.535   1.9794 -1.109451 2.676145 
1 1 1    1   18   13 o  187.645   1.2353 34199.07  445.909 34289.19  592.582 34081.43  677.047  187.934   1.6243  187.356   1.8616 0.5778351 2.470638 
1 1 1    1   18   14 o   82.030   0.8261  6518.58  126.785  6481.35  159.093  6583.39  209.883   81.712   1.0030   82.349   1.3130 -0.6367722 1.652240 
1 1 1    1   18   15 o   95.201   0.7662  8797.53  141.572  8855.37  202.077  8741.77  198.400   95.508   1.0900   94.893   1.0771 0.6143417 1.532347 
1 1 1    1   18   16 o  162.346   1.0132 25593.80  319.284 25540.63  452.173 25646.68  450.902  162.178   1.4363  162.514   1.4293 -0.3367310 2.026302 
1 1 1    1   18   17 o  108.445   0.9503 11480.84  196.102 11743.71  254.987 11100.27  306.807  109.978   1.1944  106.913   1.4783 3.065605 1.900535 
1 1 1    1   18   18 o   33.762   0.9316  1096.16   55.001  1132.20  104.211  1082.24   64.755   34.139   1.5725   33.386   0.9992 0.7526474 1.863127 
1 1 1    1   18   19 o  114.729   0.8843 12777.25  196.889 13082.94  282.648 12489.08  274.419  116.061   1.2546  113.397   1.2467 2.664200 1.768648 
1 1 1    1   18   20 o  114.356   1.0808 12712.93  229.767 12687.67  384.788 12726.93  286.440  114.249   1.7350  114.463   1.2891 -0.2145615 2.161524 
1 1 1    1   18   21 o   50.558   0.7025  2483.68   68.738  2465.46  100.963  2499.42   93.847   50.384   1.0323   50.732   0.9530 -0.3482628 1.404914 
1 1 1    1   18   22 o   42.793   0.7327  1784.03   60.664  1691.82   87.943  1867.75   83.793   41.734   1.0855   43.853   0.9843 -2.119282 1.465368 
1 1 1    1   18   23 o   83.602   0.8053  6784.19  130.591  6953.88  188.992  6629.14  180.656   84.600   1.1508   82.603   1.1267 1.997246 1.610508 
1 1 1    1   18   24 f  113.893   0.9815 12602.09  216.885 12929.23  312.856 12299.40  300.934  115.313   1.3977  112.472   1.3784 2.840950 1.962989 
1 1 1    1   18   25 o   28.172   1.1334  769.498   61.176  790.983   95.025  754.290   79.948   28.501   1.7176   27.843   1.4792 0.6571178 2.266736 
1 1 1    1   18   26 o   30.594   1.0652  901.657   62.761  984.946   96.371  840.320   82.702   31.804   1.5610   29.383   1.4500 2.421143 2.130499 
1 1 1    1   18   27 o   47.269   0.8149  2168.83   74.240  2219.61  112.430  2129.57   98.856   47.752   1.2129   46.786   1.0885 0.9654045 1.629704 
1 1 1    1   18   28 o   30.367   1.0792  906.348   62.985  853.885   94.392  948.457   84.565   29.555   1.6453   31.180   1.3972 -1.624678 2.158483 
1 1 1    1   18   29 o   18.683   1.6735  343.218   59.713  357.587   94.002  333.497   77.317   18.979   2.5515   18.386   2.1663 0.5932312 3.347052 
1 1 1    1   18   30 o   30.446   1.0808  912.842   63.125  895.169   96.454  926.083   83.487   30.158   1.6476   30.734   1.3994 -0.5756435 2.161658 
1 1 1    1   18   31 o   11.719   2.4053  140.909   59.689  202.183   89.200   91.225   80.322   13.690   3.3775   9.7488   3.4255 3.940748 4.810574 
1 1 1    1   18   32 o   39.173   0.9525  1508.72   72.201  1552.49  107.074  1472.22   97.774   39.673   1.3903   38.672   1.3025 1.001514 1.905097 
1 1 1    1   18   33 o   33.244   1.0976  1088.88   69.971  1168.86  109.186  1033.15   91.147   34.219   1.6437   32.268   1.4551 1.951012 2.195272 
1 1 1    1   19    0 o   75.436   0.7197  5509.85  100.670  5476.59  124.882  5571.58  170.121   75.113   0.8565   75.758   1.1568 -0.6453629 1.439367 
1 1 1    1   19    1 o  179.000   1.3276 31113.98  461.279 31067.70  649.564 31161.06  655.165  178.866   1.8708  179.134   1.8841 -0.2679138 2.655150 
1 1 1    1   19    2 o  157.758   1.2673 24162.27  388.035 23947.02  542.616 24387.56  555.127  157.040   1.7800  158.477   1.8045 -1.436905 2.534694 
1 1 1    1   19    3 o  240.757   1.5191 56293.15  709.930 56255.53  998.807 56331.55  1009.26  240.676   2.1379  240.837   2.1588 -0.1611328 3.038255 
1 1 1    1   19    4 o   97.344   0.9834  9191.05  185.725  8971.74  257.402  9429.23  268.243   96.134   1.3793   98.554   1.4021 -2.420258 1.966862 
1 1 1    1   19    5 o   90.895   0.9477  8020.80  167.203  8093.03  235.836  7947.81  237.091   91.307   1.3306   90.484   1.3498 0.8231049 1.895388 
1 1 1    1   19    6 o  185.367   1.4073 33360.52  506.336 33372.05  710.980 33348.66  721.266  185.400   1.9755  185.334   2.0048 0.6581116E-01 2.814605 
1 1 1    1   19    7 o  137.364   1.0958 18212.30  279.968 17958.52  347.924 18678.49  471.558  136.017   1.3177  138.711   1.7513 -2.693741 2.191679 
1 1 1    1   19    8 o   31.467   0.5478  964.591   32.385  975.248   41.058  947.043   52.683   31.698   0.6673   31.236   0.8689 0.4620571 1.095518 
1 1 1    1   19    9 o   58.758   0.6899  3350.90   78.678  3326.70  110.423  3375.86  112.133   58.543   0.9717   58.974   0.9795 -0.4309235 1.379704 
1 1 1    1   19   10 o  186.008   1.1768 33553.91  421.109 33332.06  558.403 33846.45  641.227  185.299   1.5524  186.718   1.7691 -1.419052 2.353689 
1 1 1    1   19   11 o  158.257   1.1090 24317.74  336.697 24341.08  443.607 24286.01  517.127  158.349   1.4432  158.165   1.6843 0.1841888 2.218030 
1 1 1    1   19   12 o  125.165   1.0502 15249.27  250.327 15423.33  324.992 14995.36  392.525  126.048   1.3282  124.281   1.6270 1.766304 2.100336 
1 1 1    1   19   13 o  384.366   1.5359 143445.70  1143.92 143065.59  1570.60 143875.09  1669.42  383.829   2.1080  384.902   2.2343 -1.072144 3.071771 
1 1 1    1   19   14 o  232.590   1.3456 52536.78  604.026 52558.56  811.844 52509.76  904.013  232.650   1.7976  232.530   2.0028 0.1209564 2.691209 
1 1 1    1   19   15 o  127.565   1.0712 15802.78  258.829 15806.22  331.583 15797.42  414.093  127.590   1.3388  127.541   1.6726 0.4876709E-01 2.142388 
1 1 1    1   19   16 f  131.792   1.1438 16920.15  275.457 17022.34  337.388 16715.85  477.042  132.404   1.3127  131.179   1.8734 1.225388 2.287512 
1 1 1    1   19   17 o   61.268   0.7493  3636.14   86.961  3606.71  111.202  3682.45  139.526   60.952   0.9399   61.584   1.1671 -0.6325302 1.498514 
1 1 1    1   19   18 o   63.494   0.7710  3903.99   92.372  3869.62  117.302  3960.09  149.871   63.130   0.9572   63.857   1.2090 -0.7268448 1.542085 
1 1 1    1   19   19 o   28.291   0.8960  783.658   48.746  720.611   72.225  836.403   66.061   27.236   1.3661   29.346   1.1596 -2.110268 1.791914 
1 1 1    1   19   20 o  157.626   1.1903 24151.12  364.176 24098.07  517.515 24203.16  512.565  157.454   1.6932  157.799   1.6733 -0.3456268 2.380523 
1 1 1    1   19   21 o   32.604   1.0427  1040.02   60.322  1016.01  109.974  1050.34   72.144   32.324   1.7527   32.883   1.1302 -0.5597496 2.085480 
1 1 1    1   19   22 o   45.513   0.7287  2022.70   63.799  1922.68   95.527  2103.22   85.718   44.489   1.1061   46.536   0.9489 -2.047096 1.457373 
1 1 1    1   19   23 o   28.761   1.0307  797.780   57.299  878.659   85.978  733.157   76.853   30.061   1.4734   27.461   1.4417 2.600552 2.061413 
1 1 1    1   19   24 o   83.442   0.8191  6765.87  132.590  6778.92  190.933  6753.72  184.266   83.518   1.1777   83.366   1.1387 0.1518784 1.638143 
1 1 1    1   19   25 o   82.633   0.8263  6637.27  132.416  6641.85  191.642  6633.09  183.175   82.657   1.1944   82.608   1.1423 0.4893494E-01 1.652693 
1 1 1    1   19   26 o   49.596   0.7914  2387.19   75.683  2429.19  114.232  2354.32  101.041   49.979   1.1774   49.212   1.0577 0.7669640 1.582729 
1 1 1    1   19   27 f   60.165   0.7832  3510.16   91.019  3639.05  136.695  3407.50  121.995   61.147   1.1516   59.182   1.0619 1.965168 1.566484 
1 1 1    1   19   28 o   37.629   0.8994  1381.19   65.108  1375.94   98.828  1385.22   86.542   37.555   1.3557   37.704   1.1824 -0.1495590 1.798872 
1 1 1    1   19   29 o   38.958   0.9030  1485.04   67.646  1458.80  102.471  1505.30   90.058   38.636   1.3663   39.281   1.1811 -0.6449280 1.806022 
1 1 1    1   19   30 o   31.697   1.0169  977.562   61.998  1047.76   95.522  926.465   81.497   32.654   1.5070   30.740   1.3658 1.914654 2.033768 
1 1 1    1   19   31 o   19.325   1.6381  386.889   58.978  323.883   92.610  429.877   76.496   17.850   2.6728   20.799   1.8946 -2.949566 3.276175 
1 1 1    1   19   32 o   26.267   1.5403  688.955   77.903  635.479  102.555  761.909  119.785   25.111   2.1039   27.423   2.2502 -2.311880 3.080607 
1 1 1    1   19   33 o   20.217   2.1424  432.218   80.805  339.977  107.408  552.509  122.656   17.511   3.2803   22.923   2.7565 -5.411324 4.284716 
1 1 1    1   20    0 o   52.499   0.5564  2652.80   53.418  2609.40   65.115  2742.14   93.411   51.849   0.6470   53.150   0.9054 -1.300995 1.112777 
1 1 1    1   20    1 o  116.161   1.0909 13091.17  245.860 12821.41  341.147 13382.71  354.643  114.917   1.5293  117.405   1.5561 -2.487892 2.181789 
1 1 1    1   20    2 o  182.725   1.3601 32418.88  482.408 32235.80  678.824 32605.67  685.684  182.204   1.9193  183.246   1.9276 -1.041946 2.720173 
1 1 1    1   20    3 o  301.675   1.7377 88426.16  1013.41 87927.37  1500.83 88844.18  1373.93  300.884   2.5696  302.466   2.3400 -1.581940 3.475435 
1 1 1    1   20    4 o  230.632   1.5112 51625.36  676.326 50827.47  941.985 52474.27  971.644  228.795   2.1210  232.470   2.1532 -3.675507 3.022342 
1 1 1    1   20    5 o  205.274   1.4429 40896.75  574.788 40376.04  800.813 41450.04  825.493  203.928   2.0230  206.621   2.0581 -2.693283 2.885889 
1 1 1    1   20    6 o  169.185   1.3366 27789.67  438.947 27917.57  618.304 27659.71  623.255  169.578   1.8783  168.793   1.9022 0.7854462 2.673249 
1 1 1    1   20    7 o  205.225   1.3067 40793.36  501.807 40537.18  629.728 41239.02  830.585  204.350   1.5875  206.100   2.0761 -1.749817 2.613466 
1 1 1    1   20    8 o  295.964   1.5095 84699.20  839.408 83691.84  1058.17 86409.11  1378.63  293.611   1.8566  298.317   2.3807 -4.705750 3.019041 
1 1 1    1   20    9 o  230.228   1.2749 51484.35  566.704 51708.47  763.833 51209.92  845.213  230.789   1.7050  229.667   1.8958 1.121353 2.549738 
1 1 1    1   20   10 o   93.325   0.8539  8448.72  150.359  8430.64  191.228  8478.00  243.353   93.195   1.0570   93.454   1.3414 -0.2588654 1.707871 
1 1 1    1   20   11 o  345.372   1.4671 115791.70  981.571 115388.00  1344.42 116252.50  1436.45  344.732   2.0090  346.012   2.1386 -1.280396 2.934266 
1 1 1    1   20   12 o  223.492   1.2856 48480.28  554.375 48366.35  743.781 48622.68  831.549  223.200   1.7167  223.783   1.9142 -0.5831757 2.571232 
1 1 1    1   20   13 o  120.457   1.0183 14076.06  232.577 14036.93  298.266 14136.78  371.485  120.247   1.2778  120.667   1.5859 -0.4200745 2.036670 
1 1 1    1   20   14 f  149.052   1.1392 21584.85  325.222 21651.42  426.885 21492.76  502.077  149.331   1.4726  148.773   1.7385 0.5583038 2.278406 
1 1 1    1   20   15 f   63.147   0.7586  3874.28   90.087  3883.38  114.109  3859.21  146.777   63.248   0.9294   63.046   1.1993 0.2012520 1.517291 
1 1 1    1   20   16 o   82.986   0.8619  6654.42  134.425  6560.86  169.436  6813.35  220.821   82.206   1.0618   83.766   1.3580 -1.559837 1.723837 
1 1 1    1   20   17 o  112.730   1.0190 12316.22  214.822 12245.75  269.426 12439.21  355.934  112.298   1.2360  113.162   1.6203 -0.8640976 2.037907 
1 1 1    1   20   18 o   50.550   0.7644  2468.76   73.470  2420.79   94.353  2542.64  117.095   49.931   0.9735   51.168   1.1789 -1.236515 1.528856 
1 1 1    1   20   19 o  130.427   1.2150 16601.11  298.557 16817.74  380.323 16253.23  481.942  131.563   1.4892  129.290   1.9203 2.272766 2.430061 
1 1 1    1   20   20 o  142.136   1.1998 19611.03  322.716 19509.78  412.219 19771.33  518.688  141.688   1.4988  142.583   1.8740 -0.8956146 2.399618 
1 1 1    1   20   21 o  174.798   1.3659 29725.41  463.460 29733.95  653.057 29716.75  657.833  174.825   1.9243  174.772   1.9390 0.5368042E-01 2.731817 
1 1 1    1   20   22 o   45.546   0.9790  2007.15   86.182  2109.27  129.165  1925.20  115.704   46.583   1.4284   44.508   1.3392 2.075047 1.957989 
1 1 1    1   20   23 o  127.383   1.0516 15781.16  260.005 15659.24  369.409 15900.84  366.020  126.894   1.4997  127.873   1.4746 -0.9793320 2.103183 
1 1 1    1   20   24 o  105.083   0.9530 10738.99  194.339 10673.28  278.086 10801.71  271.697  104.766   1.3674  105.400   1.3279 -0.6341400 1.906098 
1 1 1    1   20   25 o   53.565   0.7453  2768.25   76.672  2921.36  118.660  2658.51  100.459   54.823   1.1150   52.306   0.9894 2.516464 1.490686 
1 1 1    1   20   26 o   77.011   0.8080  5774.01  120.639  5601.56  173.331  5936.04  168.013   75.890   1.1766   78.132   1.1078 -2.242203 1.616026 
1 1 1    1   20   27 f   14.115   2.1269  192.141   57.620  279.805   90.404  132.166   74.776   16.840   2.7655   11.391   3.2320 5.449189 4.253735 
1 1 1    1   20   28 o   38.482   0.8900  1442.47   65.307  1452.62  102.590  1435.55   84.683   38.579   1.3699   38.385   1.1365 0.1943016 1.779946 
1 1 1    1   20   29 o   26.656   1.3646  694.486   70.248  649.426   93.757  752.158  106.069   25.687   1.8803   27.624   1.9780 -1.936758 2.729119 
1 1 1    1   20   30 o   18.027   2.0963  331.250   70.205  245.767   93.973  439.223  105.614   15.188   3.2832   20.866   2.6075 -5.678195 4.192605 
1 1 1    1   20   31 o   19.904   1.9558  401.951   71.468  285.701   95.035  553.268  108.425   16.393   3.1001   23.415   2.3854 -7.022684 3.911667 
1 1 1    1   20   32 o   23.453   1.6868  556.195   76.379  516.070  101.763  607.963  115.587   22.520   2.3279   24.386   2.4418 -1.866415 3.373617 
1 1 1    1   20   33 o   47.056   1.2482  2214.79  113.395  2331.34  171.062  2123.42  151.452   48.092   1.8324   46.020   1.6953 2.071468 2.496368 
1 1 1    1   21    0 o  255.722   1.4746 63439.16  725.834 63047.24  964.358 63951.32  1102.41  254.819   1.9496  256.625   2.2130 -1.806305 2.949257 
1 1 1    1   21    1 o  394.557   1.9313 151207.80  1479.06 151231.59  2077.04 151183.41  2106.67  394.590   2.7117  394.523   2.7508 0.6710815E-01 3.862637 
1 1 1    1   21    2 o  271.072   1.5825 71352.41  832.629 71399.97  1168.40 71303.36  1186.84  271.165   2.2197  270.979   2.2563 0.1855469 3.165097 
1 1 1    1   21    3 o   90.460   0.9523  7939.46  167.159  7803.19  232.560  8085.10  240.434   89.657   1.3362   91.262   1.3572 -1.605019 1.904595 
1 1 1    1   21    4 o  187.460   1.4197 34116.70  516.555 34032.95  724.148 34203.47  737.060  187.226   1.9925  187.694   2.0230 -0.4675903 2.839435 
1 1 1    1   21    5 o  372.753   1.9311 134929.70  1397.07 135109.70  1957.79 134742.91  1994.21  373.008   2.7038  372.498   2.7579 0.5103760 3.862246 
1 1 1    1   21    6 o  399.844   1.9751 155193.80  1532.00 153811.91  2123.84 156692.70  2212.01  397.992   2.7490  401.695   2.8368 -3.703522 3.950263 
1 1 1    1   21    7 o   85.838   0.9343  7145.72  155.220  7069.15  211.005  7236.03  229.144   85.338   1.2738   86.339   1.3672 -1.000725 1.868619 
1 1 1    1   21    8 o  106.704   0.9456 11094.81  187.920 11205.06  235.317 10900.73  312.217  107.441   1.1283  105.968   1.5178 1.473167 1.891238 
1 1 1    1   21    9 o  198.389   1.3434 38264.85  498.467 38411.67  626.689 38011.98  822.433  198.916   1.6230  197.863   2.1413 1.052826 2.686849 
1 1 1    1   21   10 o   32.203   0.6230  1007.45   38.528  1012.36   50.953  1000.88   58.877   32.295   0.8128   32.111   0.9445 0.1839943 1.246089 
1 1 1    1   21   11 o  190.884   1.2425 35379.66  456.144 35405.60  605.494 35345.63  693.620  190.969   1.6334  190.799   1.8727 0.1694794 2.484964 
1 1 1    1   21   12 o  244.017   1.3509 57697.96  636.388 56737.39  852.961 58904.02  955.765  241.736   1.8177  246.299   1.9990 -4.563263 2.701896 
1 1 1    1   21   13 o  110.564   0.9994 11778.68  207.797 11517.96  261.680 12223.70  341.880  108.924   1.2376  112.205   1.5696 -3.280342 1.998850 
1 1 1    1   21   14 o  153.976   1.1861 22975.17  352.233 22614.09  470.380 23436.10  531.459  152.606   1.5879  155.346   1.7624 -2.740494 2.372202 
1 1 1    1   21   15 o  107.968   0.9944 11345.94  202.872 11436.22  259.333 11203.55  325.675  108.529   1.2310  107.407   1.5620 1.121536 1.988766 
1 1 1    1   21   16 o  217.055   1.4193 45753.66  597.692 45224.61  829.606 46324.63  861.844  215.754   1.9808  218.357   2.0333 -2.602478 2.838649 
1 1 1    1   21   17 o  149.566   1.2523 21692.70  348.160 21586.48  433.310 21886.19  584.829  149.074   1.4974  150.058   2.0077 -0.9841766 2.504612 
1 1 1    1   21   18 o   68.867   0.8048  4613.73  104.737  4641.24  133.826  4570.24  168.257   69.136   0.9972   68.597   1.2636 0.5396729 1.609653 
1 1 1    1   21   19 o  176.346   1.3733 30198.89  452.674 30090.60  567.676 30387.99  750.168  175.956   1.6620  176.736   2.1866 -0.7799377 2.746535 
1 1 1    1   21   20 o  100.605   1.0255  9816.88  192.502  9766.68  240.730  9905.93  320.596  100.267   1.2368  100.944   1.6361 -0.6775360 2.050996 
1 1 1    1   21   21 o   67.462   0.8611  4392.72  108.904  4313.05  136.657  4531.38  180.277   66.637   1.0565   68.287   1.3600 -1.649681 1.722112 
1 1 1    1   21   22 o   44.866   0.8582  1957.25   73.751  1964.42   96.846  1947.36  113.791   44.968   1.1095   44.764   1.3095 0.2036705 1.716324 
1 1 1    1   21   23 o   64.200   0.8902  3996.26  108.174  3961.71  138.122  4051.08  173.967   63.852   1.1144   64.548   1.3884 -0.6957207 1.780313 
1 1 1    1   21   24 o   49.421   0.9166  2394.53   86.275  2484.87  112.884  2267.64  133.783   50.561   1.1501   48.281   1.4274 2.279617 1.833137 
1 1 1    1   21   25 o   52.127   0.8975  2646.11   89.026  2661.17  115.223  2623.81  140.231   52.321   1.1345   51.932   1.3910 0.3891258 1.795012 
1 1 1    1   21   26 o   59.912   0.9042  3490.55  103.076  3479.77  133.085  3506.71  162.952   59.812   1.1462   60.011   1.3988 -0.1993446 1.808471 
1 1 1    1   21   27 o   39.492   1.0125  1483.70   76.434  1318.90   98.183  1737.21  121.775   36.783   1.3751   42.200   1.4866 -5.416851 2.024999 
1 1 1    1   21   28 o   46.767   0.9561  2097.53   85.117  1957.30  108.643  2320.42  136.967   44.798   1.2493   48.737   1.4478 -3.938446 1.912287 
1 1 1    1   21   29 o   23.440   1.5574  548.126   70.221  579.263   94.986  510.600  104.276   24.217   2.0206   22.662   2.3704 1.554434 3.114718 
1 1 1    1   21   30 o   25.477   1.4613  663.791   69.682  842.383   97.207  475.021   99.939   29.199   1.7150   21.754   2.3666 7.445379 2.922691 
1 1 1    1   21   31 o   24.840   1.5082  615.723   72.373  588.543   96.876  650.050  108.872   24.251   2.0579   25.430   2.2055 -1.178844 3.016492 
1 1 1    1   21   32 o   15.494   2.6012  269.762   76.705  261.338  102.791  280.345  115.223   15.293   3.5336   15.695   3.8183 -0.4019918 5.202468 
1 1 1    1   21   33 o   20.132   2.6102  508.619   93.603  285.401  146.201  663.672  121.850   15.033   4.5895   25.232   2.4878 -10.19913 5.220376 
1 1 1    1   22    0 o   64.040   0.7613  3981.27   94.595  3969.04  135.902  3992.75  131.750   63.945   1.0949   64.135   1.0582 -0.1908875 1.522699 
1 1 1    1   22    1 o  266.364   1.5058 68792.99  772.060 68165.99  1025.17 69614.60  1173.52  264.970   1.9931  267.758   2.2578 -2.788361 3.011672 
1 1 1    1   22    2 o  361.085   1.9070 126624.30  1336.58 127166.30  1882.15 126072.90  1898.39  361.866   2.6794  360.304   2.7143 1.561676 3.813980 
1 1 1    1   22    3 o  129.718   1.1962 16333.01  301.166 16206.18  421.866 16464.83  430.078  129.205   1.6820  130.231   1.7012 -1.026657 2.392369 
1 1 1    1   22    4 o  143.366   1.2154 19949.68  338.207 19738.59  473.770 20169.04  482.956  142.593   1.7116  144.139   1.7261 -1.546158 2.430831 
1 1 1    1   22    5 o  315.167   1.7845 96524.57  1087.99 95487.26  1602.29 97411.98  1482.02  313.589   2.6322  316.745   2.4104 -3.155884 3.569061 
1 1 1    1   22    6 o  214.606   1.4742 44707.91  614.032 44405.83  859.489 45022.80  877.536  213.866   2.0703  215.346   2.0992 -1.479767 2.948384 
1 1 1    1   22    7 o  298.470   1.6805 86494.91  973.466 86273.06  1361.57 86726.88  1392.32  298.080   2.3531  298.861   2.4000 -0.7805481 3.361095 
1 1 1    1   22    8 o  167.298   1.2265 27006.59  382.743 26587.31  477.247 27762.33  640.736  165.494   1.4856  169.101   1.9519 -3.606888 2.452965 
1 1 1    1   22    9 o  189.218   1.3034 34689.46  461.857 34494.11  580.359 35026.85  762.718  188.500   1.5861  189.937   2.0687 -1.436691 2.606714 
1 1 1    1   22   10 o  137.874   1.0591 18436.54  278.254 18362.50  360.281 18545.98  438.037  137.535   1.3495  138.214   1.6326 -0.6799622 2.118163 
1 1 1    1   22   11 o  274.112   1.3859 72961.30  734.936 73048.98  999.483 72858.10  1084.42  274.295   1.8771  273.929   2.0394 0.3666687 2.771743 
1 1 1    1   22   12 o  233.576   1.3489 53020.41  608.341 53405.78  820.670 52550.38  906.345  234.525   1.8027  232.628   2.0071 1.897110 2.697781 
1 1 1    1   22   13 o   45.714   0.6907  2051.15   59.569  2131.58   76.617  1928.21   94.721   46.861   0.8423   44.568   1.0949 2.293079 1.381355 
1 1 1    1   22   14 o  106.554   0.9584 11028.67  192.656 11043.38  245.189 11004.94  311.464  106.652   1.1843  106.456   1.5072 0.1956482 1.916837 
1 1 1    1   22   15 o   48.680   0.7314  2307.06   67.921  2336.42   88.524  2265.03  105.905   49.058   0.9296   48.301   1.1295 0.7577057 1.462857 
1 1 1    1   22   16 o  111.434   1.0063 12138.58  213.068 12469.82  276.558 11654.85  334.209  113.323   1.2572  109.544   1.5717 3.779106 2.012640 
1 1 1    1   22   17 o   59.673   0.7618  3478.67   86.682  3576.49  113.354  3340.90  134.520   60.692   0.9621   58.654   1.1815 2.038334 1.523682 
1 1 1    1   22   18 o  204.991   1.4226 40877.33  565.672 41411.31  788.229 40310.27  812.276  206.380   1.9675  203.602   2.0552 2.778046 2.845175 
1 1 1    1   22   19 o   49.933   0.7883  2400.61   74.863  2321.75   95.943  2523.36  119.701   48.897   1.0108   50.970   1.2098 -2.073212 1.576509 
1 1 1    1   22   20 o  124.678   1.2581 15026.53  290.291 14822.98  358.656 15413.15  494.302  123.496   1.4961  125.860   2.0232 -2.363441 2.516276 
1 1 1    1   22   21 o   61.477   0.8353  3678.14   97.273  3701.62  124.829  3641.84  155.213   61.734   1.0417   61.220   1.3061 0.5131874 1.670598 
1 1 1    1   22   22 o  105.537   1.0817 10902.41  214.347 11125.09  272.181 10538.80  347.799  106.991   1.3105  104.084   1.7214 2.907211 2.163487 
1 1 1    1   22   23 o   47.231   0.8915  2192.99   80.200  2314.64  105.547  2026.79  123.367   48.806   1.1141   45.656   1.3920 3.150288 1.782913 
1 1 1    1   22   24 o   44.627   0.9430  1968.09   80.042  2130.86  106.000  1752.15  122.090   46.819   1.1663   42.435   1.4821 4.383980 1.886004 
1 1 1    1   22   25 o   73.281   0.9491  5212.09  130.198  5178.94  163.486  5269.56  215.281   72.985   1.1539   73.577   1.5073 -0.5916824 1.898294 
1 1 1    1   22   26 o   21.394   1.7159  460.458   69.397  530.223   93.343  374.241  103.767   23.283   2.0652   19.504   2.7407 3.779011 3.431736 
1 1 1    1   22   27 o   18.026   2.0533  338.337   67.558  408.872   91.449  253.593  100.238   20.393   2.3101   15.660   3.3953 4.732932 4.106682 
1 1 1    1   22   28 o   40.988   1.0068  1646.29   79.205  1676.09  105.009  1606.96  120.635   41.441   1.3053   40.536   1.5331 0.9058037 2.013544 
1 1 1    1   22   29 o   28.048   1.2928  768.986   69.949  720.235   92.852  832.961  106.366   27.043   1.7688   29.054   1.8860 -2.010628 2.585621 
1 1 1    1   22   30 o   40.431   1.0405  1617.83   80.815  1687.49  108.294  1530.28  121.404   41.463   1.3455   39.399   1.5874 2.064739 2.080903 
1 1 1    1   22   31 o   21.727   1.7047  479.309   71.778  451.280  101.881  506.933  101.143   21.064   2.4917   22.390   2.3271 -1.326614 3.409371 
1 1 1    1   22   32 f   35.480   1.2413  1253.03   84.256  1229.37  109.800  1286.93  131.398   35.156   1.6089   35.804   1.8905 -0.6488075 2.482515 
1 1 1    1   22   33 o   8.1479   2.6206 -28.0782   89.940 -60.4615  143.388  -7.0726  115.483   8.1906   3.7949   8.1052   3.6150 0.8539009E-01 5.241168 
1 1 1    1   23    0 o  165.112   1.2097 26403.34  379.740 26161.51  488.772 26771.59  603.153  164.164   1.5338  166.060   1.8711 -1.896255 2.419401 
1 1 1    1   23    1 o   63.141   0.6575  3838.22   75.965  3776.98   92.666  3963.71  132.649   62.380   0.7653   63.902   1.0694 -1.522163 1.314972 
1 1 1    1   23    2 o  191.822   1.3853 35726.92  515.775 36076.94  725.860 35369.96  733.024  192.771   1.9397  190.872   1.9784 1.899109 2.770671 
1 1 1    1   23    3 o  483.927   2.0725 227376.70  1945.98 225962.00  2707.34 228888.91  2799.02  482.374   2.8913  485.481   2.9701 -3.106934 4.145006 
1 1 1    1   23    4 o  282.208   1.6320 77304.32  893.663 76634.28  1243.97 78018.93  1284.68  280.946   2.2810  283.471   2.3346 -2.524506 3.263956 
1 1 1    1   23    5 o  150.404   1.2910 21960.01  376.890 21897.89  529.051 22024.01  537.044  150.189   1.8147  150.620   1.8368 -0.4314880 2.582021 
1 1 1    1   23    6 o  374.629   1.9681 136302.50  1431.10 136871.70  2010.62 135718.09  2037.42  375.424   2.7589  373.835   2.8076 1.589081 3.936292 
1 1 1    1   23    7 o  186.707   1.4335 33826.77  519.298 33306.00  721.044 34388.00  748.522  185.215   2.0055  188.198   2.0489 -2.983154 2.867062 
1 1 1    1   23    8 o   89.423   0.8544  7810.71  141.976  7933.88  177.564  7592.38  236.404   90.408   1.0118   88.438   1.3771 1.970192 1.708791 
1 1 1    1   23    9 o   44.992   0.6957  1960.42   60.688  2079.95   88.249  1853.18   83.592   46.290   0.9821   43.694   0.9855 2.596203 1.391334 
1 1 1    1   23   10 o  186.158   1.2190 33613.45  435.933 33427.82  575.662 33863.02  667.483  185.560   1.5982  186.756   1.8412 -1.196548 2.438053 
1 1 1    1   23   11 o  290.365   1.4241 81802.82  799.760 81134.22  1083.48 82603.18  1185.45  289.067   1.9309  291.663   2.0938 -2.595032 2.848221 
1 1 1    1   23   12 o   55.970   0.8252  3025.72   88.946  3158.55  135.767  2925.83  117.730   57.040   1.2262   54.900   1.1047 2.140484 1.650408 
1 1 1    1   23   13 o   62.137   0.7387  3740.09   85.944  3717.77  107.949  3778.75  142.037   61.886   0.8986   62.389   1.1728 -0.5024071 1.477484 
1 1 1    1   23   14 o  138.479   1.1429 18619.32  300.259 18603.04  385.653 18644.37  478.460  138.411   1.4354  138.547   1.7790 -0.1358490 2.285877 
1 1 1    1   23   15 o   90.073   0.9136  7832.58  154.319  7706.76  193.807  8050.54  255.088   89.095   1.1206   91.052   1.4432 -1.956551 1.827203 
1 1 1    1   23   16 o   83.567   0.8797  6776.89  137.973  6764.16  174.085  6798.38  226.261   83.466   1.0745   83.667   1.3931 -0.2005310 1.759332 
1 1 1    1   23   17 f   73.570   0.8244  5255.21  114.482  5251.69  145.765  5260.86  184.948   73.542   1.0211   73.597   1.2946 -0.5448151E-01 1.648774 
1 1 1    1   23   18 o   59.108   0.8073  3347.60   89.322  3228.59  111.421  3561.64  149.424   57.662   0.9954   60.554   1.2712 -2.892128 1.614577 
1 1 1    1   23   19 o  105.254   1.0136 10797.21  201.731 10912.54  258.360 10617.06  322.893  105.989   1.2557  104.518   1.5915 1.471497 2.027238 
1 1 1    1   23   20 o   90.790   0.9902  8040.88  168.178  8127.46  211.901  7893.51  276.446   91.468   1.1934   90.112   1.5804 1.355919 1.980381 
1 1 1    1   23   21 o   48.801   0.8227  2315.12   76.857  2322.49  100.766  2304.87  118.843   48.898   1.0616   48.704   1.2570 0.1934433 1.645317 
1 1 1    1   23   22 f  104.808   1.1250 10740.88  220.230 10899.48  277.199 10469.43  362.647  105.893   1.3485  103.723   1.8011 2.169769 2.250017 
1 1 1    1   23   23 o   10.712   2.4065   94.749   60.544   29.397   80.922  177.850   91.251   8.1964   3.3041   13.227   3.4996 -5.030845 4.812935 
1 1 1    1   23   24 o   79.116   0.9558  6093.68  142.325  6112.77  180.574  6062.37  231.258   79.299   1.1731   78.932   1.5093 0.3671951 1.911565 
1 1 1    1   23   25 o   39.157   1.1724  1479.75   87.509  1565.49  139.132  1423.63  112.562   40.075   1.7885   38.239   1.5164 1.835888 2.344813 
1 1 1    1   23   26 o   64.552   0.9215  4052.38  112.085  4034.68  142.204  4081.42  182.127   64.392   1.1377   64.712   1.4498 -0.3203659 1.842911 
1 1 1    1   23   27 f   39.512   1.0269  1531.29   78.118  1592.59  105.275  1456.17  116.532   40.413   1.3420   38.612   1.5547 1.800495 2.053787 
1 1 1    1   23   28 o   41.447   1.0010  1671.63   79.429  1637.08  103.576  1720.96  123.760   40.951   1.3030   41.943   1.5200 -0.9923630 2.002055 
1 1 1    1   23   29 o   17.170   2.1974  321.676   68.698  401.428   91.602  219.162  103.855   20.061   2.3523   14.279   3.7123 5.781974 4.394841 
1 1 1    1   23   30 o   37.460   1.1116  1386.52   80.470  1426.02  109.729  1340.55  118.365   38.069   1.4849   36.850   1.6547 1.218979 2.223251 
1 1 1    1   23   31 o   16.293   2.4162  292.950   73.728  319.559  100.009  261.272  109.121   17.282   3.0948   15.303   3.7115 1.978383 4.832477 
1 1 1    1   23   32 o   35.762   1.2224  1286.09   83.764  1333.15  111.266  1224.53  127.259   36.615   1.5654   34.909   1.8780 1.706379 2.444879 
1 1 1    1   24    0 o  257.367   1.4943 64268.41  739.908 64012.75  982.097 64604.02  1125.22  256.780   1.9703  257.954   2.2471 -1.173615 2.988582 
1 1 1    1   24    1 o  313.653   1.6159 95510.13  978.059 95457.41  1313.70 95575.72  1465.00  313.562   2.1583  313.745   2.4054 -0.1830750 3.231775 
1 1 1    1   24    2 o  172.154   1.3550 28772.85  452.791 28881.23  637.585 28662.57  643.138  172.481   1.9043  171.826   1.9282 0.6546326 2.710022 
1 1 1    1   24    3 o  119.063   1.1273 13752.16  260.441 13452.77  361.971 14073.51  375.013  117.721   1.5840  120.406   1.6045 -2.685066 2.254639 
1 1 1    1   24    4 o  120.106   1.1233 14002.53  261.849 13949.05  367.053 14057.95  373.655  119.872   1.5774  120.339   1.5996 -0.4667282 2.246509 
1 1 1    1   24    5 f  272.068   1.6292 71849.19  860.103 71093.38  1197.92 72653.43  1235.70  270.593   2.2806  273.543   2.3271 -2.950714 3.258314 
1 1 1    1   24    6 o  231.483   1.5480 52017.45  695.427 51620.30  970.790 52436.05  996.684  230.576   2.1689  232.389   2.2094 -1.813171 3.096088 
1 1 1    1   24    7 o  298.958   1.6929 86709.88  981.669 84993.48  1356.21 88598.83  1422.76  295.855   2.3615  302.061   2.4264 -6.206085 3.385879 
1 1 1    1   24    8 o  277.022   1.5075 74689.28  786.635 75255.34  1000.32 73771.98  1273.41  278.414   1.8509  275.631   2.3800 2.782806 3.014994 
1 1 1    1   24    9 o  122.703   1.0626 14652.29  242.198 14741.22  302.017 14492.05  405.415  123.230   1.2626  122.176   1.7094 1.053658 2.125123 
1 1 1    1   24   10 o  200.091   1.3690 38811.18  512.316 38644.42  642.819 39101.55  848.201  199.512   1.6598  200.670   2.1775 -1.157883 2.737930 
1 1 1    1   24   11 o  117.021   0.9995 13266.45  222.031 13161.69  285.013 13428.17  354.119  116.438   1.2610  117.605   1.5512 -1.166794 1.999040 
1 1 1    1   24   12 o  106.286   0.9618 10996.71  192.613 11090.92  245.117 10844.63  311.427  106.886   1.1814  105.686   1.5180 1.200516 1.923537 
1 1 1    1   24   13 o   64.132   0.7498  4004.68   90.139  4038.83  113.824  3947.24  147.614   64.502   0.9091   63.763   1.1926 0.7394562 1.499569 
1 1 1    1   24   14 o  275.772   1.4358 73911.65  765.333 74163.94  1036.60 73609.32  1134.74  276.302   1.9327  275.242   2.1238 1.060638 2.871556 
1 1 1    1   24   15 o  100.276   1.0881  9765.66  211.797  9665.20  299.343  9866.36  299.709   99.760   1.5458  100.793   1.5318 -1.033333 2.176205 
1 1 1    1   24   16 o   23.281   1.1082  528.989   49.800  556.383   68.076  497.453   73.041   23.933   1.4653   22.628   1.6629 1.305420 2.216353 
1 1 1    1   24   17 o   80.665   0.8543  6329.60  129.668  6361.14  164.510  6277.85  210.700   80.937   1.0471   80.393   1.3501 0.5440674 1.708588 
1 1 1    1   24   18 o   97.582   0.9784  9276.99  179.194  9354.34  226.682  9148.13  292.587   98.138   1.1899   97.027   1.5535 1.111496 1.956808 
1 1 1    1   24   19 o  128.650   1.2074 16002.36  291.295 15752.49  365.913 16434.70  481.322  127.314   1.4806  129.987   1.9075 -2.672386 2.414713 
1 1 1    1   24   20 o   25.027   1.1547  605.072   55.433  584.871   72.462  633.575   86.072   24.530   1.5218   25.525   1.7371 -0.9952202 2.309419 
1 1 1    1   24   21 o   68.109   0.8719  4476.73  111.693  4386.71  140.777  4629.66  183.497   67.200   1.0792   69.018   1.3696 -1.818130 1.743701 
1 1 1    1   24   22 o   51.075   0.8398  2513.89   81.469  2436.85  104.169  2635.24  130.733   50.082   1.0715   52.068   1.2934 -1.986839 1.679611 
1 1 1    1   24   23 o   67.642   0.8863  4452.44  113.406  4468.70  145.082  4426.90  181.827   67.813   1.1021   67.471   1.3883 0.3417282 1.772581 
1 1 1    1   24   24 o   44.324   0.9164  1915.70   78.284  1957.56  105.288  1863.96  117.067   44.872   1.2088   43.775   1.3777 1.096794 1.832761 
1 1 1    1   24   25 o   17.831   1.9920  314.134   66.868  262.780   90.735  375.178   98.927   16.097   3.0146   19.565   2.6047 -3.468456 3.984065 
1 1 1    1   24   26 o   31.437   1.1946  963.508   72.466  951.931   97.048  978.097  108.944   31.233   1.6007   31.641   1.7738 -0.4070740 2.389217 
1 1 1    1   24   27 f   50.556   0.9306  2514.93   89.101  2600.88  115.204  2386.99  140.561   51.670   1.1486   49.443   1.4645 2.227303 1.861202 
1 1 1    1   24   28 o   37.148   1.0647  1333.02   75.800  1248.14   98.388  1456.95  118.894   35.729   1.4186   38.567   1.5881 -2.837555 2.129422 
1 1 1    1   24   29 o   23.017   1.5744  526.473   69.870  516.659   93.195  539.069  105.585   22.804   2.1053   23.230   2.3415 -0.4258289 3.148779 
1 1 1    1   24   30 o   36.390   1.1315  1302.37   79.204  1276.44  104.737  1337.01  121.048   36.005   1.4986   36.776   1.6956 -0.7709579 2.262914 
1 1 1    1   24   31 f   23.768   1.6729  581.438   75.864  627.046  101.299  523.188  114.481   24.961   2.0906   22.576   2.6123 2.385149 3.345892 
1 1 1    1   24   32 o   13.882   2.9051  182.788   93.492  409.477  152.473   46.206  118.351   18.524   4.3196   9.2399   3.8858 9.284520 5.810206 
1 1 1    1   25    0 o  119.556   1.0537 13896.68  236.740 13961.51  299.737 13789.17  385.990  119.929   1.2875  119.183   1.6684 0.7468338 2.107414 
1 1 1    1   25    1 o  144.876   1.1621 20350.55  318.933 20263.14  408.233 20487.49  510.934  144.479   1.4556  145.271   1.8118 -0.7921448 2.324107 
1 1 1    1   25    2 o   64.374   0.7737  4022.53   96.681  4079.06  136.878  3966.24  136.577   64.825   1.0877   63.923   1.1007 0.9028549 1.547466 
1 1 1    1   25    3 o  237.389   1.5423 54705.71  710.544 54349.27  993.044 55079.64  1017.11  236.597   2.1622  238.180   2.1999 -1.583084 3.084559 
1 1 1    1   25    4 o  237.160   1.5433 54615.63  710.409 55080.71  999.487 54140.78  1009.94  238.181   2.1617  236.139   2.2032 2.042557 3.086649 
1 1 1    1   25    5 o  352.911   1.8846 120985.20  1282.99 121271.50  1721.99 120627.90  1923.53  353.392   2.5102  352.431   2.8116 0.9607849 3.769143 
1 1 1    1   25    6 o  308.460   1.7151 92306.87  1025.92 90608.31  1414.28 94193.30  1490.45  305.470   2.3851  311.450   2.4653 -5.979706 3.430170 
1 1 1    1   25    7 o  319.316   1.7345 98979.33  1074.46 98127.30  1490.54 99901.00  1550.25  317.889   2.4155  320.744   2.4899 -2.855438 3.469001 
1 1 1    1   25    8 o  165.176   1.3825 26467.06  442.783 26025.52  609.921 26959.06  643.833  163.722   1.9191  166.631   1.9905 -2.908340 2.764944 
1 1 1    1   25    9 o   72.582   0.7903  5076.74  105.674  4998.40  129.824  5230.55  181.917   71.760   0.9320   73.405   1.2767 -1.644882 1.580677 
1 1 1    1   25   10 o   95.632   0.9414  8825.98  167.021  8703.60  206.915  9054.84  282.950   94.689   1.1257   96.576   1.5093 -1.886299 1.882875 
1 1 1    1   25   11 o  147.098   1.1318 20995.72  317.951 20937.19  413.779 21080.09  496.830  146.852   1.4515  147.343   1.7370 -0.4912720 2.263682 
1 1 1    1   25   12 o   40.942   0.7143  1628.48   55.094  1632.37   69.976  1622.14   89.362   41.007   0.8791   40.877   1.1262 0.1304398 1.428652 
1 1 1    1   25   13 o  165.584   1.2273 26636.98  388.206 26668.86  506.035 26591.38  605.188  165.715   1.5731  165.453   1.8843 0.2613831 2.454627 
1 1 1    1   25   14 o  152.143   1.2048 22443.15  349.498 22277.75  452.751 22687.05  549.793  151.460   1.5399  152.826   1.8533 -1.365891 2.409554 
1 1 1    1   25   15 o  159.647   1.2299 24819.18  375.345 25113.55  491.468 24407.17  581.438  160.798   1.5745  158.495   1.8898 2.302612 2.459791 
1 1 1    1   25   16 o   50.944   0.7438  2492.72   71.894  2397.41   91.588  2645.73  116.044   49.691   0.9495   52.197   1.1453 -2.505810 1.487700 
1 1 1    1   25   17 o   64.369   0.9273  4025.11  114.974  4020.87  173.718  4028.42  153.371   64.336   1.3910   64.403   1.2268 -0.6652069E-01 1.854700 
1 1 1    1   25   18 o  158.682   1.2696 24440.26  388.051 24179.71  516.308 24778.50  588.282  157.726   1.6863  159.637   1.8984 -1.911118 2.539209 
1 1 1    1   25   19 o   79.877   0.9354  6108.96  138.876  5898.31  171.667  6507.93  236.251   77.925   1.1349   81.830   1.4873 -3.905022 1.870818 
1 1 1    1   25   20 o   84.712   0.9556  7002.62  151.063  7081.52  189.719  6865.95  249.703   85.381   1.1447   84.043   1.5306 1.338013 1.911287 
1 1 1    1   25   21 o   69.000   0.8526  4617.52  111.445  4587.28  142.577  4665.02  178.677   68.718   1.0688   69.282   1.3286 -0.5636215 1.705137 
1 1 1    1   25   22 o   26.083   1.1911  661.344   60.254  646.225   83.103  678.102   87.489   25.770   1.6613   26.396   1.7075 -0.6260204 2.382261 
1 1 1    1   25   23 o   58.017   0.8814  3246.44   97.143  3150.43  124.281  3397.21  155.745   56.933   1.1245   59.102   1.3575 -2.168888 1.762802 
1 1 1    1   25   24 o   51.182   3.8374  2724.63  112.927  2729.39  114.312  2531.61  727.835   52.990   1.1113   49.374   7.5940 3.615391 7.674844 
1 1 1    1   25   25 o   54.913   0.8927  2932.31   93.431  2924.14  121.053  2944.34  146.939   54.832   1.1373   54.995   1.3764 -0.1628189 1.785490 
1 1 1    1   25   26 o   91.913   1.0879  8233.31  186.658  8208.85  233.740  8276.39  310.114   91.790   1.3118   92.036   1.7358 -0.2455902 2.175741 
1 1 1    1   25   27 o   33.117   1.1818  1077.66   75.029  1102.00   99.271  1045.23  114.582   33.579   1.5230   32.656   1.8075 0.9225197 2.363600 
1 1 1    1   25   28 o   35.746   1.1332  1274.75   76.818  1380.06  101.201  1131.58  117.998   37.564   1.3879   33.928   1.7916 3.635567 2.266312 
1 1 1    1   25   29 o   16.665   2.1514  292.497   67.076  324.254   90.607  253.992   99.772   17.932   2.6029   15.398   3.4262 2.533955 4.302821 
1 1 1    1   25   30 o   23.466   1.6606  549.601   75.187  474.646  101.504  640.727  111.919   21.686   2.4113   25.245   2.2838 -3.559803 3.321127 
1 1 1    1   25   31 o   12.945   2.7396  188.592   73.861  184.971   98.742  193.192  111.291   12.837   3.7364   13.054   4.0075 -0.2164173 5.479135 
1 1 1    1   25   32 o   42.288   1.2877  1801.83  105.290  1771.12  155.026  1828.12  143.452   41.880   1.9069   42.695   1.7309 -0.8147583 2.575319 
1 1 1    1   26    0 o  224.119   1.4129 48656.14  605.914 48126.98  790.735 49408.76  943.024  222.651   1.8295  225.586   2.1535 -2.935165 2.825731 
1 1 1    1   26    1 o  193.448   1.3496 36342.87  498.489 36396.78  649.185 36265.42  778.150  193.628   1.7272  193.269   2.0741 0.3589020 2.699102 
1 1 1    1   26    2 o  339.171   1.7390 111705.10  1144.79 111805.30  1605.23 111601.40  1633.08  339.327   2.4370  339.015   2.4816 0.3122253 3.478075 
1 1 1    1   26    3 o   66.773   0.7932  4318.75  102.657  4169.61  140.561  4489.23  150.282   65.540   1.1048   68.006   1.1384 -2.465416 1.586374 
1 1 1    1   26    4 o   98.662   1.0382  9449.42  198.772  9446.36  277.529  9452.65  284.826   98.646   1.4493   98.678   1.4869 -0.3244781E-01 2.076416 
1 1 1    1   26    5 o  144.108   1.2927 20158.78  361.526 20040.78  504.964 20282.86  517.828  143.676   1.8106  144.540   1.8456 -0.8644409 2.585393 
1 1 1    1   26    6 o  210.325   1.6735 42974.46  674.134 42834.66  1041.20 43075.38  884.577  210.023   2.5539  210.627   2.1635 -0.6049500 3.347093 
1 1 1    1   26    7 o  153.063   1.3809 22746.64  410.196 22730.61  574.040 22763.38  586.366  153.008   1.9327  153.117   1.9728 -0.1091614 2.761732 
1 1 1    1   26    8 f  224.061   1.5811 48749.21  687.605 48698.33  964.802 48801.73  980.223  223.943   2.2194  224.179   2.2525 -0.2360535 3.162194 
1 1 1    1   26    9 o  224.199   1.4314 48873.91  603.661 49080.67  765.351 48533.52  981.992  224.839   1.7536  223.559   2.2628 1.279709 2.862762 
1 1 1    1   26   10 o  418.871   1.7676 170315.00  1397.45 169937.80  1778.31 170924.00  2259.61  418.304   2.1900  419.437   2.7752 -1.132935 3.535287 
1 1 1    1   26   11 o  155.895   1.1712 23612.63  348.815 23680.10  454.975 23516.43  543.287  156.171   1.5008  155.619   1.7985 0.5521545 2.342406 
1 1 1    1   26   12 o  167.266   1.2291 27212.19  393.158 27411.31  514.644 26933.11  609.277  168.010   1.5780  166.520   1.8849 1.490097 2.458213 
1 1 1    1   26   13 o  110.624   0.9923 11847.89  207.393 11731.35  263.862 12036.26  335.456  109.920   1.2366  111.328   1.5523 -1.407600 1.984630 
1 1 1    1   26   14 f  221.969   1.3636 47889.76  583.472 48075.55  781.290 47655.47  877.345  222.469   1.8092  221.470   2.0408 0.9984741 2.727222 
1 1 1    1   26   15 f   60.654   0.7670  3529.38   87.365  3410.47  109.520  3737.43  144.871   59.268   0.9519   62.039   1.2030 -2.770294 1.534050 
1 1 1    1   26   16 o  186.650   1.3021 33820.94  465.534 33612.38  609.779 34112.33  720.784  185.982   1.6890  187.318   1.9823 -1.335587 2.604263 
1 1 1    1   26   17 o   91.850   0.9486  8229.91  163.828  8337.53  208.066  8054.35  265.753   92.653   1.1568   91.046   1.5037 1.607231 1.897183 
1 1 1    1   26   18 o   49.191   0.7997  2351.03   75.046  2354.58   97.538  2345.89  117.487   49.240   1.0204   49.143   1.2316 0.9725952E-01 1.599410 
1 1 1    1   26   19 o  132.389   1.2324 17080.98  311.302 17253.25  405.670 16834.23  485.503  133.226   1.5686  131.551   1.9012 1.674469 2.464791 
1 1 1    1   26   20 o   55.671   0.8330  3008.52   88.231  2998.55  113.905  3023.49  139.507   55.561   1.0561   55.781   1.2884 -0.2202263 1.665907 
1 1 1    1   26   21 o   93.798   1.0013  8536.68  176.749  8487.45  223.697  8618.50  288.358   93.457   1.2331   94.140   1.5780 -0.6828461 2.002595 
1 1 1    1   26   22 o   26.019   1.2891  667.988   64.098  725.541   85.923  595.766   96.252   27.308   1.6209   24.729   2.0051 2.578323 2.578298 
1 1 1    1   26   23 o   45.334   0.9119  2015.65   79.155  2119.12  105.310  1881.28  120.008   46.691   1.1619   43.977   1.4058 2.713581 1.823804 
1 1 1    1   26   24 o   50.533   0.8904  2487.87   86.601  2517.86  115.561  2449.45  130.794   50.888   1.1698   50.178   1.3428 0.7099495 1.780894 
1 1 1    1   26   25 o   32.439   1.1118  1028.72   69.671  1059.13   94.853  993.093  102.671   32.969   1.4821   31.909   1.6575 1.060030 2.223532 
1 1 1    1   26   26 o   20.545   1.7660  418.952   69.752  445.196   94.326  387.283  103.616   21.286   2.2829   19.805   2.6951 1.480328 3.532026 
1 1 1    1   26   27 o   11.282   2.6495  115.925   70.957   57.182   98.339  179.726  102.485   9.4168   3.6922   13.148   3.8008 -3.730996 5.298913 
1 1 1    1   26   28 o   32.285   1.1799  1027.69   72.628  1043.67   94.670  1004.83  113.226   32.630   1.4946   31.940   1.8262 0.6900558 2.359816 
1 1 1    1   26   29 o   16.239   2.1807  277.713   66.810  224.068   94.798  330.652   94.173   14.416   3.4361   18.062   2.6859 -3.645864 4.361313 
1 1 1    1   26   30 o   53.227   0.9816  2777.86  100.082  2724.24  130.765  2853.68  155.501   52.665   1.2791   53.789   1.4893 -1.123634 1.963175 
1 1 1    1   26   31 o   9.7664   2.7095   76.310   76.375  109.916  105.038   38.610  111.252   10.542   3.8892   8.9907   3.7735 1.551392 5.418997 
1 1 1    1   26   32 o   18.473   2.5988  374.662   90.931  550.812  141.818  251.691  118.493   22.465   3.2521   14.481   4.0545 7.984044 5.197625 
1 1 1    1   27    0 o  122.880   1.0395 14647.66  239.250 14619.15  300.948 14696.63  394.394  122.720   1.2633  123.040   1.6513 -0.3193893 2.079101 
1 1 1    1   27    1 o  210.289   1.3882 42768.66  557.651 42033.13  723.702 43843.68  874.920  208.077   1.7917  212.501   2.1210 -4.423538 2.776499 
1 1 1    1   27    2 o  131.694   1.0904 16866.17  271.542 16969.21  347.349 16704.21  435.453  132.215   1.3534  131.173   1.7101 1.042038 2.180869 
1 1 1    1   27    3 o  225.702   1.5299 49461.61  670.234 50228.31  949.390 48699.85  946.326  227.446   2.1503  223.957   2.1768 3.488342 3.059759 
1 1 1    1   27    4 o  320.306   1.7225 99613.05  1070.60 99169.83  1492.99 100082.20  1536.05  319.575   2.4067  321.038   2.4648 -1.463074 3.444925 
1 1 1    1   27    5 o  259.436   1.6200 65358.86  815.737 65554.86  1144.22 65156.30  1163.27  259.833   2.2686  259.039   2.3134 0.7932434 3.240083 
1 1 1    1   27    6 o  326.404   1.7484 103409.20  1107.07 102074.10  1533.68 104861.60  1599.69  324.208   2.4369  328.599   2.5079 -4.391785 3.496866 
1 1 1    1   27    7 o  237.722   1.6104 54869.51  742.982 54527.13  1038.84 55228.04  1063.05  236.964   2.2584  238.480   2.2963 -1.516190 3.220794 
1 1 1    1   27    8 o  318.295   1.7663 98363.09  1090.82 97517.30  1517.20 99268.11  1569.44  316.882   2.4665  319.709   2.5289 -2.827240 3.532529 
1 1 1    1   27    9 o  347.661   1.6454 117324.60  1078.84 117108.30  1371.27 117676.10  1747.77  347.268   2.0342  348.054   2.5869 -0.7858276 3.290859 
1 1 1    1   27   10 o   94.867   0.9348  8663.64  163.572  8506.32  201.119  8971.07  281.136   93.609   1.1068   96.125   1.5067 -2.516159 1.869506 
1 1 1    1   27   11 o  211.916   1.4586 43612.87  579.059 43590.99  728.905 43650.30  953.396  211.865   1.7723  211.967   2.3171 -0.1018066 2.917199 
1 1 1    1   27   12 o   61.646   0.7269  3695.25   84.199  3712.84  106.585  3666.05  137.323   61.844   0.8878   61.449   1.1512 0.3947144 1.453823 
1 1 1    1   27   13 o  173.690   1.2442 29224.45  413.157 28862.63  537.833 29745.36  645.333  172.393   1.6072  174.988   1.8998 -2.595184 2.488436 
1 1 1    1   27   14 o  163.654   1.2489 26055.40  390.816 26239.37  511.359 25797.02  606.013  164.362   1.6027  162.946   1.9159 1.416611 2.497883 
1 1 1    1   27   15 o   72.481   0.8091  5088.88  110.085  5052.24  138.741  5151.15  180.874   72.134   0.9908   72.828   1.2794 -0.6935043 1.618228 
1 1 1    1   27   16 o  136.426   1.1617 18161.93  301.026 18466.53  389.330 17709.14  474.672  137.872   1.4547  134.981   1.8116 2.891068 2.323359 
1 1 1    1   27   17 o   58.189   0.7966  3288.96   87.265  3290.73  110.675  3286.05  141.881   58.214   0.9794   58.164   1.2566 0.5021286E-01 1.593217 
1 1 1    1   27   18 o  123.110   1.1321 14742.46  265.470 14782.85  344.011 14683.00  417.406  123.337   1.4369  122.884   1.7498 0.4537125 2.264178 
1 1 1    1   27   19 o   36.607   0.9223  1304.04   64.646  1314.37   84.905  1289.80   99.719   36.783   1.1891   36.431   1.4101 0.3520088 1.844533 
1 1 1    1   27   20 o  164.695   1.4511 26461.92  458.860 26798.46  607.908 26016.26  699.552  165.953   1.8871  163.437   2.2050 2.515808 2.902237 
1 1 1    1   27   21 f   52.595   0.8465  2686.88   84.463  2682.34  108.470  2693.89  134.620   52.545   1.0634   52.644   1.3173 -0.9945297E-01 1.693001 
1 1 1    1   27   22 o   56.044   0.8488  3033.39   90.479  2959.51  116.171  3147.31  144.257   55.189   1.0844   56.898   1.3061 -1.709789 1.697564 
1 1 1    1   27   23 o   34.225   1.0506  1142.84   69.240  1165.98   92.788  1113.76  104.010   34.623   1.3806   33.828   1.5839 0.7956123 2.101159 
1 1 1    1   27   24 o   20.019   1.7290  388.351   65.565  282.318   88.143  519.698   98.102   16.973   2.6753   23.065   2.1911 -6.091917 3.458051 
1 1 1    1   27   25 o   14.421   2.3593  216.283   67.487  284.360   92.209  137.745   99.040   16.986   2.7966   11.856   3.8006 5.130039 4.718636 
1 1 1    1   27   26 o   14.468   2.3453  219.255   67.738  301.748   93.337  127.458   98.460   17.462   2.7535   11.473   3.7973 5.989203 4.690544 
1 1 1    1   27   27 o   25.566   1.4445  638.600   71.309  600.238   95.111  687.846  107.762   24.706   1.9832   26.426   2.1007 -1.720600 2.888937 
1 1 1    1   27   28 f   8.8441   2.5846   17.556   72.214   80.144  114.958 -23.2409   92.813   10.325   4.0075   7.3636   3.2650 2.961040 5.169172 
1 1 1    1   27   29 o   7.7547   2.3685   1.2825   65.182   0.2664   91.507   2.3291   92.871   7.7073   3.3331   7.8020   3.3660 -0.9464788E-01 4.737021 
1 1 1    1   27   30 o   16.549   2.3631  309.356   74.377  430.407  102.359  173.950  108.258   20.538   2.5674   12.559   3.9680 7.978749 4.726181 
1 1 1    1   27   31 o   14.350   2.6593  235.057   79.829  339.241  113.223  132.072  112.570   17.496   3.4564   11.204   4.0425 6.291682 5.318648 
1 1 1    1   27   32 o   34.489   1.5158  1206.90  100.970  1356.31  152.120  1089.23  134.995   36.368   2.1548   32.609   2.1326 3.759007 3.031691 
1 1 1    1   28    0 o   82.538   0.8001  6619.00  122.923  6634.75  153.517  6590.87  205.195   82.676   0.9566   82.400   1.2829 0.2762070 1.600225 
1 1 1    1   28    1 o  317.588   1.6537 97844.10  1012.45 97151.41  1352.33 98727.54  1527.22  316.318   2.2024  318.858   2.4674 -2.539917 3.307350 
1 1 1    1   28    2 o  204.763   1.3839 40623.39  541.974 40225.77  706.651 41191.41  844.599  203.554   1.7884  205.972   2.1124 -2.418365 2.767770 
1 1 1    1   28    3 o  114.128   1.1916 12639.90  262.729 12697.18  391.500 12592.97  354.376  114.362   1.7635  113.894   1.6029 0.4677582 2.383120 
1 1 1    1   28    4 o  392.269   2.0311 149445.70  1546.14 149176.70  2158.40 149729.20  2215.88  391.909   2.8371  392.628   2.9074 -0.7183533 4.062284 
1 1 1    1   28    5 o  278.744   1.6734 75434.97  905.039 74899.27  1259.08 76007.66  1301.82  277.722   2.3355  279.766   2.3971 -2.043549 3.346756 
1 1 1    1   28    6 o  147.884   1.3173 21228.46  378.069 21019.55  527.809 21448.59  541.805  147.137   1.8479  148.631   1.8779 -1.493256 2.634642 
1 1 1    1   28    7 o  157.742   1.3608 24157.97  416.647 24647.88  591.459 23675.39  587.022  159.330   1.9123  156.154   1.9366 3.175537 2.721642 
1 1 1    1   28    8 o  171.990   1.4371 28727.77  479.676 28879.09  672.223 28570.79  684.678  172.452   2.0081  171.527   2.0563 0.9249878 2.874149 
1 1 1    1   28    9 o  217.675   1.4221 46009.64  581.788 45997.05  735.789 46030.65  950.315  217.650   1.7415  217.700   2.2488 -0.4975891E-01 2.844269 
1 1 1    1   28   10 o   58.297   0.7324  3311.35   79.675  3344.17  100.028  3254.38  131.782   58.695   0.8779   57.898   1.1725 0.7962685 1.464777 
1 1 1    1   28   11 o  194.604   1.3963 36866.70  508.835 37090.14  641.208 36486.68  836.217  195.424   1.6903  193.784   2.2230 1.639923 2.792608 
1 1 1    1   28   12 o  136.647   1.1262 18090.98  292.851 17918.40  377.610 18351.43  463.885  135.839   1.4320  137.455   1.7385 -1.615570 2.252386 
1 1 1    1   28   13 o   45.554   0.7166  1989.38   61.761  1907.46   78.235  2124.86  100.616   44.327   0.9092   46.782   1.1079 -2.455521 1.433261 
1 1 1    1   28   14 o  120.814   1.0627 14229.65  243.308 14424.58  313.072 13932.37  386.633  121.873   1.3233  119.756   1.6632 2.117500 2.125413 
1 1 1    1   28   15 o  134.763   1.1380 17580.24  290.851 17344.42  372.213 17950.02  466.091  133.621   1.4350  135.904   1.7667 -2.282700 2.276093 
1 1 1    1   28   16 o   61.249   0.7733  3648.03   89.955  3667.02  115.955  3619.33  142.558   61.453   0.9720   61.045   1.2030 0.4080849 1.546652 
1 1 1    1   28   17 f   85.352   0.9002  7088.04  144.279  7122.63  182.476  7030.35  235.657   85.639   1.0977   85.064   1.4271 0.5744705 1.800450 
1 1 1    1   28   18 o   56.588   0.9197  3104.10  100.882  3244.47  147.525  2980.80  138.263   57.786   1.3151   55.390   1.2859 2.396484 1.839342 
1 1 1    1   28   19 o  101.164   1.0931  9980.23  207.961 10077.75  263.969  9820.68  337.653  101.838   1.3353  100.490   1.7309 1.347404 2.186131 
1 1 1    1   28   20 o   46.586   0.8443  2120.63   75.481  2196.07  100.528  2023.13  114.284   47.546   1.0892   45.627   1.2903 1.918732 1.688573 
1 1 1    1   28   21 o   49.815   0.8471  2408.65   80.449  2395.46  104.248  2428.06  126.497   49.653   1.0816   49.977   1.3039 -0.3244362 1.694104 
1 1 1    1   28   22 o   93.878   1.0590  8543.79  184.836  8468.80  229.892  8680.89  310.850   93.329   1.2689   94.426   1.6959 -1.097267 2.118063 
1 1 1    1   28   23 o   73.196   0.9238  5180.74  126.983  5095.30  159.795  5327.15  209.182   72.400   1.1370   73.992   1.4564 -1.592773 1.847642 
1 1 1    1   28   24 o   47.862   0.9086  2233.47   82.980  2254.39  108.131  2203.51  129.422   48.146   1.1570   47.578   1.4013 0.5684929 1.817221 
1 1 1    1   28   25 o   41.146   0.9972  1641.04   78.644  1595.20  102.709  1705.98  122.268   40.467   1.3075   41.824   1.5060 -1.356899 1.994369 
1 1 1    1   28   26 o   62.519   0.9369  3847.44  111.331  4001.13  145.190  3628.13  173.440   64.083   1.1672   60.956   1.4658 3.127239 1.873705 
1 1 1    1   28   27 o   15.323   2.2807  235.309   67.186  161.675   89.403  330.847  101.836   12.453   3.5342   18.192   2.8838 -5.738111 4.561460 
1 1 1    1   28   28 o   32.666   1.1123  1048.39   70.502  1091.21  101.032  1007.75   98.429   33.319   1.5621   32.013   1.5839 1.305275 2.224593 
1 1 1    1   28   29 o   17.769   2.3183  316.488   76.885  433.243  124.101  243.759   97.947   20.507   3.1175   15.032   3.4322 5.474881 4.636679 
1 1 1    1   28   30 o   8.8542   2.5998   39.235   73.522   34.445  103.553   44.105  104.404   8.7371   3.6520   8.9712   3.7013 -0.2340975 5.199698 
1 1 1    1   28   31 o   28.305   1.4536  810.164   79.826  791.729  110.709  830.127  115.207   27.979   2.0384   28.630   2.0730 -0.6506958 2.907249 
1 1 1    1   29    0 o  116.626   1.0540 13246.44  231.452 13381.57  294.317 13027.44  374.689  117.410   1.2914  115.841   1.6663 1.569267 2.108086 
1 1 1    1   29    1 o   53.709   0.6359  2817.13   63.464  2860.57   79.362  2740.07  105.699   54.287   0.7531   53.131   1.0249 1.156731 1.271798 
1 1 1    1   29    2 o   43.841   0.6199  1853.46   49.320  1831.72   59.753  1899.93   87.363   43.441   0.7086   44.242   1.0173 -0.8004303 1.239723 
1 1 1    1   29    3 o  365.041   1.8219 129399.50  1290.64 128833.00  1800.98 129997.70  1850.52  364.223   2.5473  365.860   2.6056 -1.637634 3.643895 
1 1 1    1   29    4 o  123.587   1.2027 14825.19  288.504 14599.67  404.248 15059.31  411.872  122.629   1.6982  124.545   1.7036 -1.915298 2.405454 
1 1 1    1   29    5 o  128.191   1.3226 15937.32  326.385 16089.88  495.564 15820.45  433.744  128.730   1.9832  127.653   1.7504 1.077156 2.645148 
1 1 1    1   29    6 o  314.783   1.7687 96233.68  1080.76 96867.95  1526.90 95596.86  1529.97  315.823   2.4906  313.742   2.5121 2.080536 3.537498 
1 1 1    1   29    7 o  115.605   1.2133 12976.63  272.256 13109.71  384.650 12843.02  385.408  116.199   1.7053  115.011   1.7263 1.188461 2.426542 
1 1 1    1   29    8 o  211.401   1.5762 43396.14  646.742 42866.26  906.097 43946.47  923.410  210.086   2.2218  212.716   2.2363 -2.629684 3.152393 
1 1 1    1   29    9 o   67.978   0.7756  4494.58   97.167  4513.55  120.002  4458.47  165.577   68.189   0.9066   67.768   1.2587 0.4213562 1.551181 
1 1 1    1   29   10 o   89.146   0.9145  7719.18  151.061  7726.98  187.561  7704.79  254.852   89.215   1.0830   89.078   1.4739 0.1370163 1.828989 
1 1 1    1   29   11 o   38.608   0.7088  1449.74   52.468  1464.62   69.178  1429.59   80.506   38.842   0.9175   38.373   1.0808 0.4688339 1.417691 
1 1 1    1   29   12 o  171.054   1.2401 28466.46  405.421 28692.50  530.072 28147.85  629.322  171.885   1.5887  170.223   1.9045 1.661362 2.480143 
1 1 1    1   29   13 o   63.923   0.7660  3966.30   91.868  3963.21  115.882  3971.52  150.721   63.893   0.9343   63.954   1.2141 -0.6144714E-01 1.531960 
1 1 1    1   29   14 o   77.239   0.8364  5780.39  120.991  5744.21  152.035  5842.89  199.803   76.915   1.0183   77.562   1.3270 -0.6471329 1.672708 
1 1 1    1   29   15 f   48.111   0.7279  2254.93   66.265  2281.01   84.978  2214.48  105.846   48.470   0.9032   47.752   1.1419 0.7170982 1.455879 
1 1 1    1   29   16 o  100.267   0.9909  9723.52  185.614  9608.90  232.117  9926.81  309.122   99.464   1.2022  101.070   1.5756 -1.606300 1.981855 
1 1 1    1   29   17 o   50.577   0.7737  2494.92   74.172  2533.97   95.514  2435.58  117.725   51.082   0.9632   50.073   1.2112 1.009243 1.547493 
1 1 1    1   29   18 o   72.345   0.8660  5099.60  118.049  5148.09  150.259  5021.41  190.808   72.804   1.0632   71.886   1.3674 0.9179077 1.732096 
1 1 1    1   29   19 o   71.878   0.8818  5029.35  119.004  5057.37  150.508  4982.62  194.381   72.156   1.0745   71.601   1.3985 0.5550461 1.763667 
1 1 1    1   29   20 o   85.933   0.9535  7194.61  154.526  7250.36  196.889  7105.18  249.357   86.382   1.1742   85.483   1.5027 0.8990250 1.907041 
1 1 1    1   29   21 o   30.889   1.1066  922.552   65.289  898.046   84.549  958.750  102.757   30.389   1.4333   31.388   1.6865 -0.9988327 2.213243 
1 1 1    1   29   22 o  120.697   1.2374 14295.34  285.361 14857.68  376.263 13533.96  437.819  123.553   1.5688  117.841   1.9140 5.712196 2.474760 
1 1 1    1   29   23 o   51.695   4.6444  2155.26  108.602  2140.39  109.236  3425.42  1009.74   46.918   1.1994   56.473   9.2110 -9.554943 9.288771 
1 1 1    1   29   24 o   39.223   0.9711  1509.60   73.294  1616.24   99.667  1384.01  108.160   40.753   1.2599   37.692   1.4782 3.060230 1.942299 
1 1 1    1   29   25 o   19.068   1.8578  354.337   68.235  327.316   89.941  390.980  104.737   18.231   2.5415   19.905   2.7106 -1.674498 3.715700 
1 1 1    1   29   26 o   21.926   1.7119  486.201   70.922  544.139   94.125  410.102  107.872   23.526   2.0611   20.326   2.7340 3.200285 3.423836 
1 1 1    1   29   27 o   14.952   2.3140  233.436   68.028  138.206   95.244  332.616   97.199   11.665   3.7258   18.239   2.7453 -6.573740 4.627988 
1 1 1    1   29   28 o   21.070   1.6451  443.292   67.183  429.112   92.011  459.486   98.325   20.721   2.2876   21.420   2.3647 -0.6995697 3.290100 
1 1 1    1   29   29 o   23.632   1.6339  568.136   73.662  455.348  104.884  677.921  103.478   21.201   2.5486   26.064   2.0453 -4.862913 3.267761 
1 1 1    1   29   30 o   12.597   2.5703  136.619   80.266  334.675  122.691 -11.5750  106.129   17.280   3.7641   7.9133   3.5009 9.367008 5.140530 
1 1 1    1   29   31 o   14.358   2.7800  259.346   85.007  138.895  142.693  325.611  105.839   11.582   4.4734   17.134   3.3019 -5.552021 5.560000 
1 1 1    1   30    0 o  107.515   1.5385 11212.06  231.923 11206.52  252.156 11242.50  590.917  107.445   1.2090  107.584   2.8295 -0.1388245 3.076980 
1 1 1    1   30    1 o   86.067   0.8657  7108.88  136.147  6954.10  165.627  7431.36  239.077   84.641   1.0081   87.493   1.4077 -2.852211 1.731378 
1 1 1    1   30    2 o  133.409   1.0938 17188.16  274.540 16919.94  346.476 17640.71  450.044  132.021   1.3520  134.796   1.7199 -2.775314 2.187687 
1 1 1    1   30    3 f  263.651   1.6588 67495.18  848.844 67115.73  1188.28 67890.55  1212.99  262.896   2.3285  264.407   2.3633 -1.511078 3.317680 
1 1 1    1   30    4 o  133.303   1.2547 17248.70  324.466 17159.95  450.592 17344.28  467.609  132.947   1.7460  133.658   1.8023 -0.7109070 2.509317 
1 1 1    1   30    5 o  119.163   1.1990 13775.06  277.057 13558.62  381.936 14015.44  402.507  118.176   1.6649  120.149   1.7258 -1.973076 2.397988 
1 1 1    1   30    6 o  247.545   1.6384 59496.52  787.061 58843.63  1096.77 60189.73  1130.13  246.146   2.2954  248.943   2.3386 -2.796463 3.276892 
1 1 1    1   30    7 o   76.426   0.9235  5670.78  136.982  5810.60  194.032  5531.85  193.411   77.365   1.2920   75.486   1.3199 1.878906 1.847020 
1 1 1    1   30    8 o   45.036   0.7747  1960.85   67.545  1862.38   91.561  2078.41  100.047   43.800   1.0769   46.271   1.1139 -2.470341 1.549308 
1 1 1    1   30    9 o  147.533   1.3766 21116.10  393.745 20682.37  541.049 21604.42  574.097  145.926   1.9100  149.140   1.9830 -3.213364 2.753277 
1 1 1    1   30   10 o  164.230   1.3040 26275.64  400.791 26492.22  504.909 25906.70  658.986  165.165   1.5748  163.295   2.0789 1.870132 2.608064 
1 1 1    1   30   11 o  125.182   1.1273 15315.81  262.883 15572.89  329.893 14868.54  435.129  126.641   1.3419  123.722   1.8118 2.918846 2.254631 
1 1 1    1   30   12 o   31.190   0.8169  936.420   48.774  898.449   63.328  991.787   76.469   30.420   1.0724   31.960   1.2326 -1.539598 1.633814 
1 1 1    1   30   13 o   69.971   0.7882  4774.10  103.283  4832.08  130.368  4676.38  169.258   70.548   0.9520   69.394   1.2565 1.153786 1.576400 
1 1 1    1   30   14 f   16.702   1.3812  266.824   43.981  249.577   56.343  293.724   70.366   16.025   1.8113   17.380   2.0856 -1.355738 2.762369 
1 1 1    1   30   15 o   29.416   0.9108  842.751   50.457  849.832   64.153  831.267   81.703   29.582   1.1172   29.251   1.4389 0.3304634 1.821684 
1 1 1    1   30   16 o   45.640   0.7595  1995.74   65.580  1907.92   83.040  2141.29  106.906   44.326   0.9651   46.954   1.1729 -2.627560 1.518911 
1 1 1    1   30   17 o   24.087   1.1766  572.877   54.069  628.389   72.477  503.211   81.194   25.428   1.4683   22.746   1.8389 2.681658 2.353168 
1 1 1    1   30   18 o  104.341   1.0652 10482.23  208.445 10206.67  261.239 10965.09  345.806  102.490   1.3131  106.193   1.6775 -3.702301 2.130331 
1 1 1    1   30   19 f   29.044   1.0529  821.625   59.116  838.880   80.514  801.444   87.075   29.378   1.4119   28.710   1.5624 0.6676598 2.105814 
1 1 1    1   30   20 o   75.378   0.9189  5559.37  129.637  5665.00  163.802  5382.30  212.080   76.358   1.1051   74.398   1.4685 1.959778 1.837863 
1 1 1    1   30   21 o   64.151   0.8680  4014.20  106.016  4074.94  137.715  3925.83  166.103   64.758   1.0955   63.544   1.3466 1.214432 1.735949 
1 1 1    1   30   22 o   46.443   0.9228  2103.79   81.771  2132.75  106.657  2062.50  127.361   46.840   1.1730   46.046   1.4249 0.7946434 1.845619 
1 1 1    1   30   23 o   32.730   1.1123  1048.72   69.928  1085.83   93.381  1001.34  105.511   33.401   1.4402   32.058   1.6955 1.342796 2.224610 
1 1 1    1   30   24 o   46.327   0.9390  2071.29   83.254  1984.02  108.024  2198.95  130.655   45.147   1.2326   47.507   1.4168 -2.360409 1.877927 
1 1 1    1   30   25 o   46.478   0.9783  2126.43   86.734  2227.36  114.236  1989.05  133.273   47.815   1.2308   45.141   1.5209 2.674541 1.956520 
1 1 1    1   30   26 o   27.560   1.3407  744.643   70.972  738.196   93.653  753.340  108.775   27.442   1.7581   27.677   2.0246 -0.2355423 2.681383 
1 1 1    1   30   27 o   21.823   1.5694  471.805   66.405  458.525   91.262  486.746   96.804   21.504   2.1862   22.142   2.2522 -0.6375732 3.138814 
1 1 1    1   30   28 o   30.142   1.2721  901.544   74.193  934.987  102.218  864.307  107.860   30.762   1.7118   29.522   1.8821 1.240009 2.544135 
1 1 1    1   30   29 o   21.387   1.7455  465.134   71.048  356.409   98.370  583.698  102.724   18.670   2.7143   24.105   2.1953 -5.435192 3.490983 
1 1 1    1   30   30 o   28.433   1.4974  819.385   82.174  914.363  116.018  723.768  116.408   30.161   1.9816   26.704   2.2456 3.457075 2.994895 
1 1 1    1   30   31 o   9.2903   2.7527   28.137   83.570  125.634  135.731 -31.3896  106.057   11.130   4.3450   7.4500   3.3809 3.680428 5.505439 
1 1 1    1   31    0 o  124.806   1.5799 15265.31  297.045 15348.47  329.435 14903.70  686.971  125.741   1.3497  123.870   2.8570 1.871674 3.159740 
1 1 1    1   31    1 o  266.564   1.5877 68923.22  812.530 68495.51  1070.91 69503.47  1247.34  265.599   2.0771  267.528   2.4019 -1.929108 3.175444 
1 1 1    1   31    2 o  179.199   1.3236 31158.34  451.584 31077.52  583.855 31278.67  712.441  178.915   1.6811  179.482   2.0449 -0.5666504 2.647170 
1 1 1    1   31    3 o   55.200   0.7909  2957.73   84.748  2985.98  120.183  2929.78  119.524   55.462   1.1163   54.938   1.1208 0.5244789 1.581848 
1 1 1    1   31    4 o  140.079   1.3085 19047.40  355.689 18870.42  495.638 19235.32  510.742  139.409   1.8315  140.749   1.8693 -1.340286 2.617036 
1 1 1    1   31    5 o  243.833   1.6488 57741.54  780.054 57610.57  1086.57 57880.83  1120.54  243.550   2.2983  244.116   2.3646 -0.5658112 3.297526 
1 1 1    1   31    6 o   19.594   1.3113  381.457   48.722  446.875   66.451  305.405   71.649   21.454   1.5956   17.733   2.0814 3.720152 2.622628 
1 1 1    1   31    7 o  108.632   1.1893 11459.82  250.628 11492.68  348.415 11424.58  360.793  108.794   1.6498  108.469   1.7135 0.3245697 2.378637 
1 1 1    1   31    8 f   77.435   0.9203  5820.84  138.320  5771.44  194.010  5871.90  197.260   77.101   1.2963   77.769   1.3067 -0.6679230 1.840592 
1 1 1    1   31    9 o   72.973   0.9148  5170.44  129.588  5122.47  183.072  5218.61  183.459   72.634   1.2984   73.313   1.2891 -0.6786270 1.829685 
1 1 1    1   31   10 f   35.335   0.7580  1209.76   51.350  1197.26   67.350  1227.13   79.360   35.118   0.9880   35.552   1.1499 -0.4339333 1.516066 
1 1 1    1   31   11 o   24.354   0.9756  577.395   45.213  583.473   58.591  568.448   71.087   24.514   1.2313   24.194   1.5136 0.3199673 1.951167 
1 1 1    1   31   12 o   79.890   0.8598  6189.82  127.686  6171.13  158.981  6223.80  214.320   79.725   1.0273   80.054   1.3792 -0.3291702 1.719698 
1 1 1    1   31   13 o   68.314   0.7793  4505.97   99.288  4440.60  123.812  4623.77  166.196   67.628   0.9431   69.000   1.2408 -1.371880 1.558557 
1 1 1    1   31   14 o   37.683   0.7621  1378.70   54.407  1377.83   69.701  1380.07   87.042   37.670   0.9532   37.696   1.1895 -0.2637863E-01 1.524297 
1 1 1    1   31   15 o   85.760   0.8933  7166.15  143.375  7228.46  180.644  7060.06  235.687   86.274   1.0786   85.245   1.4243 1.028984 1.786640 
1 1 1    1   31   16 o   48.806   0.7565  2298.30   70.044  2244.25   89.490  2383.79  112.538   48.073   0.9590   49.539   1.1703 -1.465797 1.512992 
1 1 1    1   31   17 o  118.607   1.1693 13685.39  264.988 13724.83  345.793 13629.27  412.458  118.832   1.4991  118.382   1.7948 0.4499359 2.338510 
1 1 1    1   31   18 o   38.246   0.8884  1403.63   64.959  1326.31   83.874  1519.52  102.686   36.949   1.1694   39.543   1.3377 -2.594170 1.776800 
1 1 1    1   31   19 o  114.786   1.2069 12839.76  260.539 12910.10  330.368 12724.05  423.733  115.235   1.4769  114.338   1.9091 0.8973846 2.413717 
1 1 1    1   31   20 o  112.998   1.2051 12508.13  256.862 12786.31  328.698 12071.79  411.662  114.660   1.4768  111.335   1.9048 3.324905 2.410198 
1 1 1    1   31   21 o   85.033   0.9911  7063.98  158.601  7162.23  201.738  6904.98  256.632   85.834   1.2108   84.232   1.5695 1.601494 1.982265 
1 1 1    1   31   22 o   14.698   2.0900  229.709   60.115  369.832   84.162   83.751   85.896   19.463   2.2276   9.9319   3.5369 9.531390 4.179946 
1 1 1    1   31   23 o   17.141   2.0365  297.321   65.199  330.065   88.572  258.593   96.326   18.358   2.4855   15.924   3.2268 2.433766 4.073073 
1 1 1    1   31   24 f   29.732   1.2273  853.688   69.997  804.313   91.165  924.600  109.254   28.707   1.6360   30.757   1.8299 -2.050381 2.454571 
1 1 1    1   31   25 o   36.497   1.1004  1292.34   77.013  1246.18  100.548  1357.85  119.786   35.730   1.4497   37.265   1.6559 -1.534241 2.200837 
1 1 1    1   31   26 o   38.499   1.0580  1437.55   78.327  1366.44  102.899  1535.51  120.780   37.391   1.4177   39.606   1.5710 -2.214615 2.116066 
1 1 1    1   31   27 o   11.188   2.4861  124.516   65.191  189.834   89.078   49.186   95.662   13.353   3.4212   9.0227   3.6081 4.330038 4.972251 
1 1 1    1   31   28 o   9.4991   2.4936   61.348   67.952  137.796   93.265 -25.1541   99.208   11.466   3.6895   7.5320   3.3557 3.934052 4.987230 
1 1 1    1   31   29 o   33.383   1.2239  1113.20   78.546  1160.22  105.486  1054.68  117.672   34.240   1.5871   32.527   1.8636 1.712841 2.447852 
1 1 1    1   31   30 o   22.117   1.8028  502.834   77.248  483.421  105.365  525.395  113.589   21.679   2.5037   22.554   2.5945 -0.8747253 3.605556 
1 1 1    1   31   31 o   9.9555   2.7930   41.991   85.624  195.096  137.872 -54.1349  109.244   12.707   4.4857   7.2037   3.3288 5.503689 5.585925 
1 1 1    1   32    0 o   90.101   1.6912  7920.94  178.598  7930.27  188.469  7838.75  559.198   90.385   1.0742   89.817   3.2073 0.5684891 3.382419 
1 1 1    1   32    1 o  189.430   1.3741 34826.05  495.430 34756.34  640.249 34930.08  782.149  189.202   1.7432  189.658   2.1245 -0.4564819 2.748152 
1 1 1    1   32    2 o   19.345   1.0866  360.308   38.806  353.782   47.755  372.995   66.582   19.090   1.2887   19.600   1.7500 -0.5098553 2.173289 
1 1 1    1   32    3 o   35.028   0.8262  1189.42   56.133  1255.54   80.996  1128.30   77.865   35.963   1.1602   34.092   1.1766 1.870991 1.652392 
1 1 1    1   32    4 o  224.784   1.6099 49067.23  702.265 48772.02  979.415 49379.61  1007.49  224.090   2.2515  225.478   2.3018 -1.388092 3.219897 
1 1 1    1   32    5 o   50.166   0.7833  2440.62   76.087  2410.12  103.708  2476.19  111.974   49.827   1.0722   50.505   1.1421 -0.6778221 1.566560 
1 1 1    1   32    6 f  111.555   1.1860 12073.85  256.659 11817.39  355.444 12353.25  370.997  110.319   1.6598  112.791   1.6945 -2.472496 2.371943 
1 1 1    1   32    7 o  206.938   1.5976 41608.25  641.668 41958.58  902.269 41249.75  912.734  207.822   2.2366  206.055   2.2819 1.766830 3.195190 
1 1 1    1   32    8 o   35.415   0.8495  1214.92   58.329  1298.01   84.731  1140.07   80.417   36.564   1.1938   34.267   1.2089 2.296680 1.699018 
1 1 1    1   32    9 o   34.687   0.8556  1168.25   57.607  1152.87   81.426  1183.66   81.511   34.458   1.2173   34.916   1.2026 -0.4573555 1.711187 
1 1 1    1   32   10 o   56.684   0.7245  3120.50   76.794  3123.71   96.453  3114.94  126.922   56.725   0.8759   56.642   1.1543 0.8345413E-01 1.449055 
1 1 1    1   32   11 o   82.306   0.8758  6618.56  134.072  6723.47  167.865  6433.73  222.805   83.217   1.0392   81.394   1.4102 1.823242 1.751683 
1 1 1    1   32   12 o   38.280   0.7378  1413.35   54.053  1368.94   70.256  1477.79   84.618   37.549   0.9639   39.011   1.1174 -1.462002 1.475673 
1 1 1    1   32   13 o   99.211   0.9788  9619.44  182.907  9810.85  233.343  9314.41  294.561  100.509   1.1960   97.913   1.5498 2.596077 1.957603 
1 1 1    1   32   14 o   91.080   0.9200  8063.69  156.796  8079.35  197.163  8036.74  258.626   91.210   1.1136   90.950   1.4649 0.2602463 1.840085 
1 1 1    1   32   15 o   99.175   1.1336  9558.79  218.238  9529.89  309.043  9587.55  308.230   99.025   1.6077   99.325   1.5986 -0.2998505 2.267237 
1 1 1    1   32   16 o   41.009   0.7862  1623.46   61.464  1582.37   79.265  1685.42   97.338   40.365   1.0116   41.653   1.2039 -1.288273 1.572458 
1 1 1    1   32   17 o   38.611   0.8565  1455.26   62.805  1483.28   81.271  1413.71   98.958   39.078   1.0714   38.143   1.3365 0.9352341 1.712907 
1 1 1    1   32   18 o  101.351   1.0526  9973.84  200.832  9937.60  254.436 10033.74  327.099  101.126   1.2961  101.575   1.6589 -0.4491272 2.105233 
1 1 1    1   32   19 o   51.027   0.8292  2527.33   81.045  2513.59  106.178  2546.51  125.445   50.865   1.0753   51.188   1.2625 -0.3227158 1.658368 
1 1 1    1   32   20 o  132.564   1.2931 17186.96  325.590 17502.32  421.335 16719.48  512.982  134.124   1.6183  131.003   2.0172 3.121155 2.586133 
1 1 1    1   32   21 o   72.744   0.9082  5207.34  124.937  5446.11  161.668  4853.30  196.858   74.856   1.1126   70.632   1.4358 4.223999 1.816408 
1 1 1    1   32   22 o   53.507   0.8724  2797.52   88.640  2850.96  114.668  2718.16  139.728   54.157   1.0907   52.858   1.3618 1.298561 1.744754 
1 1 1    1   32   23 o   15.253   2.2522  243.840   65.103  300.132   87.106  172.602   97.991   17.488   2.5659   13.017   3.7021 4.471082 4.504337 
1 1 1    1   32   24 o   36.605   1.0417  1309.02   73.243  1322.14   97.097  1291.69  111.567   36.832   1.3581   36.379   1.5799 0.4530869 2.083334 
1 1 1    1   32   25 o   71.405   0.9552  4978.06  127.447  4984.80  159.980  4966.35  210.846   71.524   1.1523   71.286   1.5237 0.2375870 1.910326 
1 1 1    1   32   26 o   20.520   1.7594  415.102   68.299  300.425   92.131  555.011  101.763   17.347   2.7360   23.692   2.2127 -6.345287 3.518764 
1 1 1    1   32   27 o   34.711   1.1441  1185.94   77.051  1183.53  107.209  1188.53  110.814   34.682   1.5924   34.740   1.6432 -0.5798340E-01 2.288236 
1 1 1    1   32   28 o   11.129   2.5919  126.956   65.656   99.333   92.333  155.209   93.379   10.225   3.6643   12.034   3.6665 -1.808197 5.183701 
1 1 1    1   32   29 o   25.584   1.5312  659.779   75.833  656.591  103.387  663.491  111.568   25.553   2.0843   25.616   2.2437 -0.6322289E-01 3.062441 
1 1 1    1   32   30 o   31.636   1.3456  1001.65   82.411  930.336  111.715  1086.79  122.065   30.413   1.8923   32.858   1.9137 -2.444866 2.691288 
1 1 1    1   33    0 o   88.218   1.8480  8346.25  191.517  8572.41  203.615  6611.00  564.009   93.972   1.1162   82.464   3.5234 11.50834 3.695955 
1 1 1    1   33    1 o  122.928   1.1138 14658.53  256.636 14621.43  323.109 14721.95  422.402  122.723   1.3563  123.133   1.7672 -0.4106903 2.227685 
1 1 1    1   33    2 o   25.940   0.8669  652.690   40.159  651.878   48.123  654.552   72.884   25.914   0.9566   25.965   1.4460 -0.5105019E-01 1.733825 
1 1 1    1   33    3 o   43.779   0.7819  1856.46   66.374  1773.96   91.223  1949.27   96.755   42.748   1.0993   44.811   1.1123 -2.062401 1.563880 
1 1 1    1   33    4 o  157.176   1.3901 23987.94  423.813 23897.45  587.821 24085.91  611.612  156.869   1.9304  157.483   2.0007 -0.6141052 2.780118 
1 1 1    1   33    5 o  158.321   1.3976 24344.35  429.416 24351.62  600.340 24336.73  614.478  158.346   1.9531  158.295   1.9997 0.5087280E-01 2.795272 
1 1 1    1   33    6 o  106.677   1.1610 11051.22  240.414 11155.61  340.077 10946.92  339.917  107.181   1.6345  106.173   1.6493 1.007751 2.322035 
1 1 1    1   33    7 o  152.492   1.3953 22593.00  412.978 22861.82  581.407 22319.25  586.707  153.409   1.9524  151.575   1.9940 1.834152 2.790678 
1 1 1    1   33    8 o   30.909   0.9094  927.917   54.505  922.050   78.850  933.286   75.428   30.816   1.3182   31.003   1.2533 -0.1878128 1.818882 
1 1 1    1   33    9 o   99.126   1.0969  9540.94  211.040  9453.68  295.640  9631.60  301.354   98.664   1.5436   99.588   1.5589 -0.9235535 2.193798 
1 1 1    1   33   10 o   57.410   0.7341  3218.02   78.956  3270.97   99.831  3129.56  129.023   58.046   0.8860   56.773   1.1707 1.273075 1.468189 
1 1 1    1   33   11 o  142.541   1.2395 19782.58  328.259 19885.44  409.332 19597.24  549.470  143.083   1.4737  141.999   1.9934 1.084213 2.479018 
1 1 1    1   33   12 o   55.835   0.7512  3031.76   78.263  3043.72   98.086  3010.81  129.835   55.990   0.9025   55.680   1.2012 0.3106575 1.502468 
1 1 1    1   33   13 o   81.837   0.8650  6556.22  133.001  6718.62  169.264  6294.13  215.029   83.180   1.0483   80.495   1.3761 2.684715 1.729938 
1 1 1    1   33   14 o   69.585   0.8114  4707.34  106.247  4721.91  134.751  4683.39  172.740   69.733   0.9955   69.436   1.2816 0.2961197 1.622767 
1 1 1    1   33   15 o   91.478   0.9361  8131.53  160.138  8134.98  201.142  8125.56  264.645   91.517   1.1322   91.440   1.4910 0.7751465E-01 1.872139 
1 1 1    1   33   16 o   53.331   0.7730  2764.94   77.733  2772.38   98.882  2752.90  125.765   53.430   0.9534   53.233   1.2171 0.1974640 1.546026 
1 1 1    1   33   17 o   32.127   0.9405  998.805   57.828  978.769   75.349  1027.52   90.203   31.740   1.2230   32.515   1.4292 -0.7748432 1.880983 
1 1 1    1   33   18 o   58.999   0.8464  3407.03   94.964  3514.17  123.612  3252.71  148.347   60.146   1.0587   57.852   1.3210 2.294434 1.692890 
1 1 1    1   33   19 o   77.853   0.9158  5852.22  133.679  5742.58  167.738  6043.06  221.305   76.875   1.1240   78.830   1.4462 -1.955589 1.831670 
1 1 1    1   33   20 o   52.344   0.8791  2669.45   87.972  2698.81  115.191  2628.36  136.273   52.697   1.1261   51.990   1.3503 0.7070274 1.758202 
1 1 1    1   33   21 o   58.180   0.8643  3319.19   95.847  3455.26  125.751  3130.55  148.062   59.626   1.0865   56.735   1.3444 2.890766 1.728526 
1 1 1    1   33   22 o   30.763   1.1128  920.444   66.408  884.656   92.005  959.368   95.951   30.140   1.5725   31.387   1.5749 -1.246748 2.225547 
1 1 1    1   33   23 o   53.811   0.8896  2798.90   91.508  2708.92  118.593  2931.31  143.859   52.762   1.1579   54.859   1.3509 -2.097519 1.779227 
1 1 1    1   33   24 o   26.154   1.3912  665.664   70.292  581.891   95.495  764.726  103.844   24.363   2.0192   27.944   1.9144 -3.580549 2.782465 
1 1 1    1   33   25 o   39.864   1.0143  1549.09   77.515  1531.07  101.646  1574.13  119.830   39.607   1.3221   40.121   1.5386 -0.5137482 2.028592 
1 1 1    1   33   26 o   32.549   1.1413  1051.44   71.164  1132.86   95.740  950.910  106.381   34.008   1.4503   31.090   1.7627 2.917919 2.282590 
1 1 1    1   33   27 o   51.903   0.9351  2651.42   93.470  2724.59  125.621  2560.66  139.903   52.746   1.2269   51.061   1.4115 1.684986 1.870173 
1 1 1    1   33   28 o   10.477   2.4017   78.503   69.315 -56.3971   97.657  215.465   98.400   6.9321   3.1829   14.022   3.5975 -7.089682 4.803392 
1 1 1    1   33   29 o   22.524   1.7505  528.920   74.581  638.040  103.389  410.533  107.689   25.149   2.1178   19.899   2.7879 5.250320 3.501086 
1 1 1    1   33   30 o   11.905   2.8536  157.498   87.630   38.989  136.725  240.117  114.160   9.5279   4.0973   14.282   3.9729 -4.754500 5.707165 
1 1 1    1   34    0 o   79.914   1.7622  6514.37  153.132  6582.01  160.598  5837.31  508.111   82.343   1.0047   77.485   3.3781 4.858017 3.524357 
1 1 1    1   34    1 o  124.578   1.1123 15064.21  259.294 15051.52  325.840 15086.13  428.160  124.512   1.3481  124.643   1.7696 -0.1307220 2.224602 
1 1 1    1   34    2 o  102.777   0.9739 10194.37  185.821 10049.86  230.386 10463.38  314.341  101.746   1.1665  103.809   1.5599 -2.063362 1.947819 
1 1 1    1   34    3 o   43.749   0.6667  1848.99   53.291  1831.63   65.013  1884.55   93.035   43.439   0.7710   44.060   1.0878 -0.6207962 1.333302 
1 1 1    1   34    4 o  223.242   1.6247 48414.48  703.963 48186.55  985.917 48651.54  1005.48  222.708   2.2806  223.777   2.3147 -1.068695 3.249416 
1 1 1    1   34    5 o   25.499   1.0616  631.628   52.499  666.074   74.477  597.608   74.016   26.191   1.4649   24.807   1.5370 1.383127 2.123283 
1 1 1    1   34    6 o  152.306   1.4142 22535.43  418.079 22987.31  593.006 22088.86  589.516  153.825   1.9859  150.787   2.0140 3.038010 2.828471 
1 1 1    1   34    7 o  126.537   1.2689 15553.13  311.581 15569.14  435.542 15536.36  445.924  126.605   1.7722  126.469   1.8164 0.1357346 2.537716 
1 1 1    1   34    8 o  152.081   1.3980 22465.69  412.671 22955.75  587.274 21987.68  580.003  153.720   1.9681  150.442   1.9861 3.277466 2.796048 
1 1 1    1   34    9 o  100.279   1.1280  9766.68  219.574  9770.13  309.108  9763.16  311.961  100.297   1.5877  100.261   1.6029 0.3643799E-01 2.256086 
1 1 1    1   34   10 o   66.193   0.7831  4302.56   96.533  4433.63  121.550  4078.70  158.853   67.577   0.9266   64.808   1.2627 2.769142 1.566202 
1 1 1    1   34   11 o   33.491   0.8323  1088.74   52.715  1087.01   67.312  1091.49   84.771   33.458   1.0364   33.523   1.3027 -0.6488037E-01 1.664651 
1 1 1    1   34   12 o   29.777   0.8786  876.114   49.465  938.306   64.502  787.317   77.073   31.085   1.0690   28.469   1.3946 2.615568 1.757179 
1 1 1    1   34   13 o  136.459   1.1825 18165.65  305.292 18408.35  391.669 17789.90  487.337  137.646   1.4659  135.272   1.8559 2.374359 2.364982 
1 1 1    1   34   14 o   66.203   0.7953  4210.34   97.777  4102.38  120.971  4413.77  166.058   64.998   0.9588   67.407   1.2691 -2.409714 1.590533 
1 1 1    1   34   15 o   43.356   0.7924  1824.26   65.070  1818.68   83.285  1833.00  104.251   43.274   0.9914   43.437   1.2364 -0.1628685 1.584808 
1 1 1    1   34   16 o   37.187   0.8301  1333.12   58.609  1296.07   74.926  1391.54   94.078   36.529   1.0566   37.844   1.2806 -1.315010 1.660259 
1 1 1    1   34   17 o   33.344   0.9104  1052.12   58.048  921.955   74.637  1251.40   92.347   30.803   1.2482   35.885   1.3257 -5.081390 1.820873 
1 1 1    1   34   18 o  147.367   1.3536 21191.95  381.441 21446.08  499.864 20837.65  590.201  148.466   1.7344  146.268   2.0787 2.198730 2.707242 
1 1 1    1   34   19 o   64.701   0.8747  4063.91  106.998  4047.07  136.494  4090.76  172.330   64.538   1.0895   64.865   1.3686 -0.3268738 1.749346 
1 1 1    1   34   20 o   96.151   1.0721  8953.59  192.684  8840.11  241.109  9154.17  320.540   95.344   1.3027   96.957   1.7031 -1.613060 2.144201 
1 1 1    1   34   21 o   33.381   1.0846  1081.55   69.403  1065.64   90.914  1103.77  107.445   33.095   1.4152   33.667   1.6440 -0.5726662 2.169226 
1 1 1    1   34   22 o   34.676   1.0939  1179.58   72.937  1244.14   98.368  1100.74  108.701   35.748   1.4175   33.605   1.6663 2.142910 2.187721 
1 1 1    1   34   23 o   55.329   0.8973  3004.35   94.922  3129.68  125.459  2836.56  145.167   56.707   1.1397   53.951   1.3861 2.756214 1.794525 
1 1 1    1   34   24 o   11.749   2.2580  107.475   64.854 -21.7672   86.459  273.763   98.071   7.1964   3.1730   16.301   3.2134 -9.104862 4.515994 
1 1 1    1   34   25 o   55.798   0.9031  3052.37   96.477  3125.87  127.244  2952.98  147.966   56.620   1.1577   54.977   1.3865 1.642845 1.806287 
1 1 1    1   34   26 o   12.556   2.5153  168.221   66.410  217.856   90.843  111.248   97.327   14.333   3.3288   10.779   3.7717 3.553979 5.030572 
1 1 1    1   34   27 o   58.373   0.9324  3352.92  103.933  3400.44  135.898  3285.97  161.316   58.931   1.1880   57.814   1.4374 1.117290 1.864772 
1 1 1    1   34   28 o   21.765   1.6925  475.708   71.182  421.840   96.108  541.164  105.943   20.398   2.4272   23.131   2.3595 -2.732689 3.385018 
1 1 1    1   34   29 o   37.400   1.1953  1397.04   86.541  1470.91  120.409  1318.10  124.468   38.469   1.6124   36.331   1.7649 2.137459 2.390548 
1 1 1    1   34   30 o   35.401   1.4585  1293.62   98.467  1159.33  148.510  1398.96  131.536   33.553   2.2802   37.249   1.8191 -3.696182 2.916913 
1 1 1    1   35    0 o  185.324   1.7306 33788.32  556.278 34315.96  656.209 32440.80  1048.69  187.975   1.7984  182.673   2.9574 5.302063 3.461241 
1 1 1    1   35    1 o   70.785   0.7914  4860.59  102.535  4853.23  125.542  4875.35  177.702   70.707   0.9147   70.863   1.2918 -0.1554108 1.582868 
1 1 1    1   35    2 o   58.242   0.7223  3279.19   76.647  3253.18   93.282  3333.24  134.478   57.890   0.8301   58.594   1.1823 -0.7038765 1.444612 
1 1 1    1   35    3 o  143.351   1.2057 19901.84  325.299 19732.52  411.508 20183.91  531.141  142.551   1.4871  144.151   1.8981 -1.599808 2.411305 
1 1 1    1   35    4 o   29.175   0.9635  826.463   54.564  831.467   77.704  821.594   76.638   29.263   1.3679   29.088   1.3573 0.1741638 1.927013 
1 1 1    1   35    5 o   99.804   1.1226  9673.60  217.484  9652.10  307.482  9695.12  307.656   99.693   1.5889   99.915   1.5862 -0.2220230 2.245158 
1 1 1    1   35    6 o  142.642   1.3677 19768.10  378.660 20059.94  534.521 19474.10  536.496  143.700   1.9162  141.584   1.9520 2.116241 2.735380 
1 1 1    1   35    7 o  135.776   1.3396 17908.17  353.082 17898.33  499.777 17917.98  498.890  135.739   1.8967  135.813   1.8923 -0.7475281E-01 2.679279 
1 1 1    1   35    8 o  200.617   1.5980 39129.00  622.028 39626.21  870.056 38609.16  889.631  201.925   2.2197  199.308   2.2994 2.617661 3.195995 
1 1 1    1   35    9 o   27.632   1.0073  743.178   53.910  698.668   77.111  785.732   75.398   26.820   1.4811   28.444   1.3655 -1.623554 2.014543 
1 1 1    1   35   10 o   46.123   0.8072  2065.54   72.117  2061.86   98.810  2069.75  105.496   46.080   1.1047   46.166   1.1772 -0.8659363E-01 1.614329 
1 1 1    1   35   11 o   68.908   0.8043  4640.57  103.562  4722.70  130.507  4500.92  170.183   69.742   0.9640   68.074   1.2879 1.667816 1.608696 
1 1 1    1   35   12 o   65.760   0.7955  4224.10   97.633  4290.77  122.782  4109.47  161.010   66.475   0.9515   65.044   1.2752 1.430511 1.591064 
1 1 1    1   35   13 o  106.131   1.0665 11009.15  210.605 11176.27  263.804 10715.46  349.723  107.265   1.2669  104.996   1.7159 2.269096 2.132921 
1 1 1    1   35   14 f   68.566   0.8030  4599.02  103.527  4702.48  131.818  4432.46  167.245   69.586   0.9759   67.545   1.2755 2.040878 1.606012 
1 1 1    1   35   15 o   72.190   0.9377  5061.08  131.372  4933.48  183.396  5195.57  188.277   71.256   1.3259   73.124   1.3264 -1.868233 1.875435 
1 1 1    1   35   16 o   33.327   0.8991  1100.63   56.772  1203.38   74.888  961.782   87.053   35.197   1.0961   31.457   1.4256 3.739765 1.798245 
1 1 1    1   35   17 o   33.345   0.9221  1080.57   58.605  1080.61   76.003  1080.49   92.042   33.350   1.1740   33.340   1.4222 0.9975433E-02 1.844169 
1 1 1    1   35   18 o  129.799   1.2748 16398.58  312.504 16392.11  398.330 16408.95  503.971  129.810   1.5808  129.788   2.0004 0.2175903E-01 2.549560 
1 1 1    1   35   19 o   33.180   1.0480  1068.02   67.374  1027.39   91.916  1115.19   99.047   32.501   1.4569   33.859   1.5069 -1.357841 2.096045 
1 1 1    1   35   20 o   33.657   1.0249  1099.45   66.857  1057.48   91.503  1147.51   97.922   32.970   1.4297   34.343   1.4689 -1.372601 2.049775 
1 1 1    1   35   21 o   28.655   1.2393  794.136   68.594  694.089   92.950  913.782  101.647   26.686   1.7943   30.625   1.7098 -3.939285 2.478537 
1 1 1    1   35   22 o   47.925   0.8907  2221.37   81.766  2152.06  106.540  2320.70  127.544   47.031   1.1670   48.820   1.3459 -1.788467 1.781340 
1 1 1    1   35   23 o   22.456   1.5747  499.325   67.955  535.725   92.117  455.865  100.655   23.383   2.0294   21.529   2.4085 1.854370 3.149485 
1 1 1    1   35   24 f   13.681   2.2945  177.334   65.835   75.349   86.955  314.316  100.776   9.5932   3.5387   17.768   2.9218 -8.175199 4.589053 
1 1 1    1   35   25 o   44.016   0.9429  1889.43   79.592  1868.85  104.497  1917.86  122.833   43.753   1.2303   44.279   1.4291 -0.5253792 1.885731 
1 1 1    1   35   26 o   5.8264   1.9823 -134.7323   65.248 -168.4676   87.690 -92.8859   97.664   5.1795   2.5419   6.4732   3.0425 -1.293756 3.964636 
1 1 1    1   35   27 o   12.424   2.6272  167.117   68.795  188.108   93.795  142.676  101.208   13.167   3.5768   11.680   3.8491 1.486852 5.254486 
1 1 1    1   35   28 o   43.128   1.0585  1829.54   88.188  1754.85  118.094  1923.71  132.596   42.165   1.4428   44.091   1.5492 -1.925961 2.117018 
1 1 1    1   35   29 o   32.159   1.3504  1046.76   83.566  1111.31  113.464  970.234  123.537   33.337   1.7533   30.980   2.0542 2.356836 2.700744 
1 1 1    1   35   30 o   21.626   2.2554  507.212   93.678  532.583  144.360  488.757  123.122   21.935   3.3903   21.317   2.9754 0.6180897 4.510817 
1 1 1    1   36    0 o   35.621   2.8038  1340.58   59.997  1346.40   60.821  1129.93  365.912   37.242   0.8413   34.000   5.5441 3.241840 5.607537 
1 1 1    1   36    1 o   91.142   0.9415  8030.69  157.795  7957.46  193.775  8174.82  271.867   90.533   1.1026   91.750   1.5265 -1.216370 1.883042 
1 1 1    1   36    2 o   77.846   0.8463  5865.76  120.523  5830.33  147.334  5937.42  209.539   77.496   0.9794   78.196   1.3804 -0.6997452 1.692577 
1 1 1    1   36    3 o   99.510   1.0006  9602.03  185.056  9569.00  230.344  9662.17  310.780   99.275   1.1953   99.744   1.6051 -0.4684906 2.001260 
1 1 1    1   36    4 o   93.224   0.9225  8402.22  159.257  8318.79  197.078  8559.22  270.359   92.566   1.0968   93.883   1.4835 -1.316887 1.844926 
1 1 1    1   36    5 o  190.356   1.5377 35207.32  568.161 35105.42  797.431 35312.39  809.710  190.077   2.1612  190.634   2.1881 -0.5568695 3.075474 
1 1 1    1   36    6 o  169.422   1.4859 27887.03  488.396 27816.67  678.703 27962.61  703.349  169.204   2.0664  169.641   2.1359 -0.4372559 2.971828 
1 1 1    1   36    7 o   61.150   0.8525  3630.60  101.166  3638.92  144.991  3622.71  141.225   61.218   1.2201   61.082   1.1911 0.1359062 1.705063 
1 1 1    1   36    8 o  109.884   1.1975 11728.17  255.389 11622.15  357.331 11838.87  365.143  109.377   1.6830  110.391   1.7040 -1.013832 2.394990 
1 1 1    1   36    9 o  118.560   1.3031 13664.07  299.817 13826.36  420.502 13496.26  427.598  119.278   1.8161  117.841   1.8693 1.436905 2.606233 
1 1 1    1   36   10 o   32.484   0.9066  1023.91   57.115  1088.14   82.049  963.522   79.556   33.472   1.2628   31.496   1.3012 1.975508 1.813226 
1 1 1    1   36   11 o   22.832   1.1107  502.354   48.335  485.545   62.214  527.950   76.771   22.356   1.4336   23.307   1.6968 -0.9514332 2.221360 
1 1 1    1   36   12 o   23.392   1.1101  537.768   49.632  573.189   66.055  491.844   75.215   24.290   1.4009   22.495   1.7225 1.795013 2.220280 
1 1 1    1   36   13 o  124.004   1.1757 14998.36  270.159 15120.05  336.100 14776.19  454.129  124.746   1.3880  123.262   1.8979 1.483818 2.351301 
1 1 1    1   36   14 o   57.875   0.7707  3231.11   83.704  3168.58  105.154  3339.26  138.290   57.121   0.9483   58.629   1.2151 -1.507900 1.541373 
1 1 1    1   36   15 o   32.599   0.8756  1041.07   54.207  1077.18   70.444  988.638   84.877   33.301   1.0897   31.896   1.3708 1.405148 1.751212 
1 1 1    1   36   16 o   11.510   2.1608  136.430   49.072  153.024   63.525  111.875   77.274   12.284   2.7343   10.735   3.3466 1.549508 4.321616 
1 1 1    1   36   17 o   28.394   1.0562  805.020   55.990  875.269   72.005  697.584   89.046   30.011   1.2360   26.777   1.7131 3.234142 2.112437 
1 1 1    1   36   18 o   32.769   1.0293  1048.73   64.449  1070.71   84.514  1018.19   99.631   33.187   1.3119   32.351   1.5865 0.8361855 2.058627 
1 1 1    1   36   19 o   91.112   1.0203  8075.67  173.905  8074.48  218.513  8077.74  287.216   91.131   1.2352   91.093   1.6243 0.3835297E-01 2.040595 
1 1 1    1   36   20 o   50.889   0.8721  2517.09   84.905  2512.42  110.997  2523.67  131.818   50.840   1.1247   50.938   1.3331 -0.9823608E-01 1.744195 
1 1 1    1   36   21 o   30.878   1.1497  945.347   67.634  1050.71   90.891  814.625  101.242   32.854   1.4252   28.903   1.8045 3.950987 2.299412 
1 1 1    1   36   22 o   42.353   1.1800  1743.96   94.829  1783.42  151.761  1718.68  121.461   42.721   1.8300   41.986   1.4903 0.7348709 2.360070 
1 1 1    1   36   23 o   67.650   0.9224  4431.69  117.269  4345.99  147.659  4578.07  192.980   66.805   1.1386   68.495   1.4514 -1.690048 1.844738 
1 1 1    1   36   24 o   60.814   0.9123  3626.80  105.157  3695.25  135.582  3523.46  166.592   61.574   1.1343   60.053   1.4291 1.521568 1.824537 
1 1 1    1   36   25 o   21.615   1.5922  463.479   66.790  456.512   93.195  470.836   95.766   21.451   2.2381   21.779   2.2652 -0.3281746 3.184409 
1 1 1    1   36   26 o   10.313   2.5669  102.468   64.076  115.345   87.313   87.440   94.328   10.681   3.5772   9.9455   3.6823 0.7350264 5.133789 
1 1 1    1   36   27 o   23.699   1.5538  566.312   71.058  615.311   98.588  513.340  102.508   24.823   2.0460   22.576   2.3391 2.246981 3.107662 
1 1 1    1   36   28 f   32.861   1.2716  1078.02   80.648  1083.08  108.614  1071.81  120.400   32.997   1.6957   32.726   1.8953 0.2709808 2.543122 
1 1 1    1   36   29 o   12.661   2.9869  157.824   87.059  296.744  146.467   81.929  108.259   15.544   4.5583   9.7781   3.8612 5.765663 5.973849 
1 1 1    1   37    0 o   31.022   4.0932  1283.56   60.389  1295.29   60.928  629.652  454.845   36.528   0.8593   25.515   8.1412 11.01288 8.186392 
1 1 1    1   37    1 o  233.647   1.5801 52944.79  705.782 52459.84  919.366 53640.74  1101.36  232.370   2.0382  234.924   2.4151 -2.553787 3.160208 
1 1 1    1   37    2 o   38.030   0.7415  1401.72   50.905  1397.61   61.516  1410.65   90.666   37.944   0.8352   38.117   1.2254 -0.1729355 1.482926 
1 1 1    1   37    3 o   93.355   0.9444  8426.91  163.311  8345.16  202.167  8580.43  277.053   92.712   1.1233   93.998   1.5184 -1.286232 1.888741 
1 1 1    1   37    4 o  132.135   1.1736 16836.00  290.979 16495.87  365.425 17425.32  481.012  130.335   1.4443  133.935   1.8501 -3.599991 2.347133 
1 1 1    1   37    5 o  119.656   1.2305 13911.69  285.668 14068.38  399.066 13747.01  409.113  120.349   1.7082  118.963   1.7716 1.385902 2.461000 
1 1 1    1   37    6 f  108.439   1.1887 11420.57  250.169 11336.25  349.784 11508.87  357.943  108.030   1.6680  108.848   1.6941 -0.8179779 2.377400 
1 1 1    1   37    7 o   67.294   0.8977  4397.75  117.257  4412.40  165.302  4382.91  166.356   67.407   1.2633   67.181   1.2756 0.2259979 1.795332 
1 1 1    1   37    8 o   44.921   0.8161  1957.95   71.100  1924.79   98.100  1994.64  103.194   44.521   1.1351   45.321   1.1730 -0.7999077 1.632288 
1 1 1    1   37    9 o   7.6558   2.1278   17.095   49.689   70.411   71.257 -33.3675   69.324   9.1235   3.2244   6.1881   2.7774 2.935418 4.255696 
1 1 1    1   37   10 o   75.776   0.9653  5577.82  141.981  5582.62  199.980  5572.95  201.613   75.809   1.3589   75.743   1.3712 0.6624603E-01 1.930544 
1 1 1    1   37   11 o   66.396   0.8046  4274.84   99.290  4258.52  123.575  4304.58  166.779   66.224   0.9613   66.569   1.2906 -0.3450699 1.609295 
1 1 1    1   37   12 o  121.182   1.1762 14356.02  264.960 14566.09  331.448 13984.13  441.014  122.443   1.3945  119.921   1.8945 2.522255 2.352386 
1 1 1    1   37   13 o   42.389   0.7935  1747.46   63.272  1754.04   80.218  1736.62  102.931   42.499   0.9724   42.279   1.2542 0.2196617 1.586951 
1 1 1    1   37   14 o   52.400   0.7653  2653.89   75.413  2615.28   95.127  2719.20  123.720   51.894   0.9443   52.906   1.2047 -1.011616 1.530684 
1 1 1    1   37   15 o   56.314   0.7847  3064.98   82.872  3021.11  104.120  3140.80  136.890   55.773   0.9617   56.855   1.2403 -1.082054 1.569479 
1 1 1    1   37   16 o   95.962   1.0370  8998.90  186.592  9136.03  236.144  8770.98  304.445   96.962   1.2546   94.963   1.6515 1.998703 2.074043 
1 1 1    1   37   17 f   63.066   0.8314  3875.57   98.525  3906.82  124.833  3823.96  160.448   63.415   1.0141   62.718   1.3179 0.6964493 1.662884 
1 1 1    1   37   18 o  109.616   1.1366 11736.06  234.804 11881.65  299.241 11502.81  378.765  110.537   1.3946  108.694   1.7952 1.843956 2.273201 
1 1 1    1   37   19 o   25.276   1.2892  617.368   63.000  557.419   84.880  690.901   94.007   23.920   1.8280   26.631   1.8185 -2.710964 2.578437 
1 1 1    1   37   20 o   45.637   0.8898  2025.16   78.496  2021.07  106.199  2030.08  116.542   45.590   1.2000   45.683   1.3142 -0.9310913E-01 1.779634 
1 1 1    1   37   21 o   10.731   2.5648  105.370   63.287   91.105   84.849  123.260   95.015   10.110   3.5225   11.353   3.7290 -1.242537 5.129633 
1 1 1    1   37   22 o   36.677   1.0725  1326.11   75.186  1406.94   99.943  1220.73  114.119   37.997   1.3550   35.357   1.6627 2.639572 2.144919 
1 1 1    1   37   23 o   16.400   2.1863  280.177   66.986  342.424   92.051  210.110   97.662   18.611   2.5479   14.189   3.5535 4.422378 4.372607 
1 1 1    1   37   24 o   22.979   1.5593  543.601   66.393  678.150   90.174  384.311   98.115   26.288   1.7671   19.669   2.5697 6.618149 3.118644 
1 1 1    1   37   25 o   24.163   1.4849  574.410   69.301  533.332   92.519  626.919  104.602   23.198   2.0545   25.128   2.1444 -1.929972 2.969792 
1 1 1    1   37   26 o   8.0209   2.4086   2.3330   66.917 -41.5892   91.567   52.677   98.034   6.9355   3.1451   9.1063   3.6487 -2.170773 4.817116 
1 1 1    1   37   27 f   9.4637   2.6352   62.943   72.219   28.717  100.288   99.810  104.084   8.5509   3.5855   10.377   3.8629 -1.825728 5.270459 
1 1 1    1   37   28 o   32.770   1.2725  1080.71   80.241  1149.23  108.982  999.606  118.579   33.987   1.6519   31.553   1.9360 2.433294 2.544930 
1 1 1    1   37   29 o   11.912   2.7944  138.199   82.675  274.441  126.602   36.900  109.166   15.072   4.1807   8.7514   3.7089 6.320582 5.588731 
1 1 1    1   38    0 o  113.335   2.0203 13307.25  281.625 13564.81  300.629 11461.16  804.858  118.195   1.3103  108.474   3.8223 9.720581 4.040668 
1 1 1    1   38    1 o   83.026   1.9881  7032.32  169.488  7093.96  176.704  6323.49  599.185   85.480   1.0649   80.572   3.8310 4.908875 3.976269 
1 1 1    1   38    2 o  108.283   1.0351 11377.44  208.972 11354.28  261.268 11418.57  348.159  108.138   1.2446  108.427   1.6541 -0.2895737 2.070102 
1 1 1    1   38    3 o   97.134   0.9813  9196.04  176.320  9275.13  218.924  9050.02  297.464   97.739   1.1539   96.530   1.5875 1.208496 1.962530 
1 1 1    1   38    4 o  111.604   1.0747 12049.09  223.617 11926.82  279.008 12268.71  373.923  110.826   1.2969  112.383   1.7140 -1.557144 2.149385 
1 1 1    1   38    5 o   53.830   3.1312  2833.03  326.785  2967.39  459.533  2695.58  464.798   55.132   4.2939   52.527   4.5584 2.604992 6.262315 
1 1 1    1   38    6 f   68.263   0.9161  4525.71  121.376  4607.13  171.759  4444.48  171.543   68.876   1.2847   67.649   1.3063 1.227402 1.832152 
1 1 1    1   38    7 o   78.108   0.9850  5925.12  149.332  5989.31  212.870  5862.92  209.544   78.524   1.3965   77.691   1.3894 0.8326187 1.969973 
1 1 1    1   38    8 o  124.964   1.3112 15182.02  317.849 15270.50  442.138 15087.39  457.257  125.344   1.8171  124.583   1.8908 0.7609787 2.622393 
1 1 1    1   38    9 f   87.649   1.0644  7462.37  181.061  7382.23  253.324  7546.07  258.885   87.168   1.4971   88.129   1.5133 -0.9610748 2.128704 
1 1 1    1   38   10 f   88.347   1.0528  7582.83  180.525  7783.24  256.842  7387.17  253.786   89.502   1.4783   87.193   1.4994 2.308304 2.105629 
1 1 1    1   38   11 o   40.701   0.7932  1587.46   60.641  1527.94   75.989  1691.83  100.628   39.667   0.9869   41.734   1.2421 -2.067116 1.586431 
1 1 1    1   38   12 o   32.570   0.9140  1028.66   55.608  1023.47   69.645  1037.78   92.362   32.461   1.1053   32.678   1.4560 -0.2173767 1.828000 
1 1 1    1   38   13 o   95.307   0.9974  8825.96  176.028  8823.28  218.331  8830.94  297.553   95.304   1.1802   95.310   1.6083 -0.6027222E-02 1.994828 
1 1 1    1   38   14 o   71.399   0.8381  4969.59  111.856  5016.98  140.742  4888.33  184.298   71.871   1.0088   70.926   1.3386 0.9457474 1.676165 
1 1 1    1   38   15 o   69.183   0.8430  4596.98  108.704  4465.66  135.014  4838.98  183.281   67.804   1.0258   70.563   1.3381 -2.758148 1.686019 
1 1 1    1   38   16 o   42.793   0.8304  1759.25   67.908  1671.55   87.672  1890.77  107.368   41.479   1.0888   44.108   1.2540 -2.628963 1.660744 
1 1 1    1   38   17 o   96.569   1.0645  9095.45  192.740  9169.16  243.451  8971.65  315.499   97.121   1.2913   96.016   1.6927 1.104660 2.129043 
1 1 1    1   38   18 o   26.843   1.1907  700.072   61.649  688.540   82.350  714.776   92.985   26.597   1.5950   27.090   1.7682 -0.4931431 2.381352 
1 1 1    1   38   19 o  117.122   1.2615 13483.77  277.744 13869.45  354.181 12867.82  447.595  119.375   1.5284  114.869   2.0073 4.506104 2.522995 
1 1 1    1   38   20 o   37.531   0.9908  1372.91   71.647  1387.74   95.936  1354.19  107.737   37.767   1.3086   37.294   1.4882 0.4725800 1.981696 
1 1 1    1   38   21 o   19.036   1.7830  354.142   65.530  338.339   87.489  374.338   98.904   18.563   2.4279   19.508   2.6117 -0.9450722 3.565920 
1 1 1    1   38   22 o   8.8231   2.4194   27.216   63.484 -36.7349   85.288  106.668   95.065   6.8707   3.0825   10.775   3.7300 -3.904649 4.838854 
1 1 1    1   38   23 o   16.353   2.1282  270.610   64.775  165.188   87.324  399.582   96.586   12.608   3.4623   20.098   2.4757 -7.490781 4.256304 
1 1 1    1   38   24 o   19.414   1.7734  369.937   65.951  294.810   88.278  464.832   99.215   17.186   2.6461   21.641   2.3617 -4.454845 3.546763 
1 1 1    1   38   25 o   19.208   1.7595  369.541   65.347  361.290   88.189  379.586   97.313   18.995   2.3917   19.421   2.5813 -0.4259491 3.518997 
1 1 1    1   38   26 o   16.364   2.1346  280.254   66.129  299.823   91.694  259.046   95.460   17.164   2.7520   15.564   3.2639 1.600294 4.269237 
1 1 1    1   38   27 o   10.729   2.5896  104.079   69.723   30.657   94.626  191.288  103.129   8.3769   3.4954   13.080   3.8218 -4.703481 5.179140 
1 1 1    1   38   28 o   6.2929   2.1094 -109.9929   70.977 -48.5573   96.047 -183.9064  105.350   6.8811   3.1584   5.7046   2.7969 1.176520 4.218802 
1 1 1    1   38   29 o   9.6008   2.7324   57.016   87.171 -73.2626  137.025  145.585  112.981   7.8570   3.6638   11.345   4.0547 -3.487754 5.464765 
1 1 1    1   39    0 o   63.276   2.4814  4143.91  111.924  4163.32  114.078  3644.56  578.600   65.486   0.8974   61.066   4.8811 4.420525 4.962876 
1 1 1    1   39    1 o   17.345   4.8167   55.678  243.968 -148.4138  306.297  409.863  403.502   12.951   5.8236   21.738   7.6739 -8.786230 9.633426 
1 1 1    1   39    2 f   29.018   0.8760  807.395   46.433  788.097   56.444  847.793   81.667   28.491   1.0206   29.546   1.4239 -1.054857 1.751911 
1 1 1    1   39    3 o   61.038   0.7477  3610.41   83.940  3595.70  103.225  3639.12  144.221   60.858   0.8738   61.217   1.2136 -0.3592339 1.495459 
1 1 1    1   39    4 o   60.266   0.7503  3509.11   83.399  3471.24  102.715  3582.36  142.871   59.795   0.8849   60.737   1.2118 -0.9421349 1.500503 
1 1 1    1   39    5 o  101.433   1.1454  9996.05  225.501 10181.69  319.758  9812.38  318.061  102.371   1.6091  100.495   1.6304 1.875099 2.290729 
1 1 1    1   39    6 o   17.452   1.5012  296.159   50.830  296.153   70.750  296.165   73.077   17.452   2.0884   17.452   2.1571 0.6809235E-03 3.002445 
1 1 1    1   39    7 o   60.993   0.8771  3605.28  103.728  3798.20  150.955  3432.71  142.774   62.536   1.2435   59.451   1.2372 3.084679 1.754113 
1 1 1    1   39    8 f   28.827   0.9890  807.031   55.333  796.191   77.288  818.429   79.254   28.629   1.3907   29.025   1.4066 -0.3967628 1.978072 
1 1 1    1   39    9 o   33.615   0.9382  1098.19   61.126  1106.70   84.289  1088.76   88.774   33.754   1.2864   33.477   1.3661 0.2764168 1.876443 
1 1 1    1   39   10 o   84.776   1.0414  6981.37  171.357  7150.02  244.371  6818.22  240.349   85.783   1.4675   83.768   1.4781 2.014748 2.082863 
1 1 1    1   39   11 o   63.955   0.8978  3974.63  111.436  4026.62  156.518  3921.20  158.694   64.380   1.2524   63.530   1.2868 0.8500023 1.795672 
1 1 1    1   39   12 o   81.638   0.9257  6493.50  140.856  6540.41  176.453  6411.09  233.861   82.058   1.1078   81.218   1.4833 0.8396301 1.851319 
1 1 1    1   39   13 o   58.770   0.8099  3382.98   88.316  3452.71  110.407  3259.10  147.164   59.626   0.9539   57.915   1.3090 1.710999 1.619703 
1 1 1    1   39   14 o   36.290   0.8646  1275.17   59.343  1260.37   75.610  1298.91   95.767   36.021   1.0813   36.559   1.3495 -0.5381317 1.729253 
1 1 1    1   39   15 o   40.568   0.8491  1587.57   64.794  1553.43   81.651  1645.65  106.483   39.989   1.0519   41.148   1.3331 -1.159000 1.698115 
1 1 1    1   39   16 o   70.215   0.8709  4840.30  115.157  5003.65  147.438  4584.74  184.411   71.763   1.0584   68.668   1.3835 3.095100 1.741887 
1 1 1    1   39   17 o   90.640   0.9958  8021.97  169.485  8119.02  214.788  7861.85  275.905   91.393   1.2107   89.887   1.5812 1.505928 1.991502 
1 1 1    1   39   18 o   9.6609   2.3321   64.085   56.999   1.8965   75.603  145.990   86.764   7.2625   3.0827   12.059   3.5003 -4.796713 4.664223 
1 1 1    1   39   19 o   41.968   0.9387  1710.86   75.729  1695.41  100.128  1731.52  115.758   41.754   1.2354   42.183   1.4137 -0.4296570 1.877382 
1 1 1    1   39   20 o   58.533   0.8751  3322.58   97.266  3280.69  124.820  3387.35  155.200   58.080   1.1071   58.987   1.3554 -0.9068184 1.750104 
1 1 1    1   39   21 o   45.418   0.9382  2016.29   81.868  2058.31  108.939  1961.76  124.094   45.977   1.2206   44.860   1.4251 1.117367 1.876340 
1 1 1    1   39   22 o   27.009   1.3105  707.922   67.913  672.613   88.611  758.189  105.726   26.215   1.7413   27.803   1.9590 -1.587141 2.620999 
1 1 1    1   39   23 o   36.543   1.0381  1299.78   73.088  1260.32   96.955  1351.71  111.232   35.917   1.3906   37.169   1.5417 -1.251602 2.076182 
1 1 1    1   39   24 o   33.589   1.0743  1108.58   69.875  1133.86   96.204  1080.36  101.658   34.009   1.4572   33.169   1.5789 0.8406410 2.148562 
1 1 1    1   39   25 o   28.434   1.2811  801.348   70.620  821.480   98.273  779.849  101.552   28.821   1.7566   28.048   1.8652 0.7730160 2.562124 
1 1 1    1   39   26 o   14.686   2.2667  239.077   66.918  110.310   96.493  358.388   92.882   10.581   3.7508   18.791   2.5464 -8.209922 4.533494 
1 1 1    1   39   27 o   23.121   1.7150  543.616   74.725  387.715  101.535  727.830  110.371   19.379   2.6991   26.863   2.1166 -7.484003 3.429990 
1 1 1    1   39   28 o   13.299   2.5753  199.185   70.260  139.786   95.941  267.881  103.177   11.220   3.7498   15.378   3.5309 -4.157961 5.150554 
1 1 1    1   40    0 o   11.165   3.7304   7.4737   48.422   8.1474   48.771 -39.0472  405.271   6.0720   2.5195   16.258   7.0226 -10.18556 7.460877 
1 1 1    1   40    1 o  113.133   1.9550 12951.11  277.005 13111.08  295.940 11819.66  787.049  116.189   1.3121  110.078   3.6833 6.111015 3.910039 
1 1 1    1   40    2 o   49.222   0.7333  2358.22   65.824  2369.22   80.436  2335.91  114.529   49.400   0.8388   49.045   1.2030 0.3555145 1.466547 
1 1 1    1   40    3 o   88.455   0.9229  7606.00  150.837  7621.31  186.717  7577.25  255.916   88.592   1.0857   88.317   1.4927 0.2748184 1.845833 
1 1 1    1   40    4 o   77.203   0.8497  5763.40  120.883  5709.53  148.777  5868.06  207.366   76.682   0.9995   77.725   1.3744 -1.043007 1.699390 
1 1 1    1   40    5 o   50.437   0.7430  2512.02   68.834  2606.69   85.484  2337.44  116.085   51.816   0.8499   49.059   1.2190 2.756897 1.486001 
1 1 1    1   40    6 o   47.529   0.8211  2193.85   75.751  2196.87  106.920  2190.81  107.337   47.562   1.1581   47.496   1.1642 0.6572342E-01 1.642103 
1 1 1    1   40    7 o   47.861   0.8347  2223.57   77.523  2180.26  107.993  2269.62  111.352   47.380   1.1742   48.341   1.1866 -0.9608383 1.669370 
1 1 1    1   40    8 f   85.045   1.0471  7028.37  172.808  7064.92  241.765  6990.19  247.097   85.272   1.4606   84.818   1.5008 0.4547043 2.094171 
1 1 1    1   40    9 f  121.960   1.3107 14464.70  310.234 14621.24  435.527 14303.45  442.019  122.633   1.8295  121.288   1.8774 1.345436 2.621428 
1 1 1    1   40   10 f   38.508   0.8872  1439.00   66.145  1419.86   90.054  1461.42   97.473   38.231   1.2134   38.784   1.2947 -0.5531502 1.774439 
1 1 1    1   40   11 o   32.081   0.8708  997.622   51.069  993.243   62.412  1006.49   88.838   31.980   1.0054   32.182   1.4221 -0.2026768 1.741553 
1 1 1    1   40   12 o   22.999   1.1229  504.550   49.221  467.011   62.928  563.712   78.999   21.920   1.4789   24.078   1.6902 -2.157566 2.245893 
1 1 1    1   40   13 o   63.153   0.8147  3871.01   95.896  3861.73  119.821  3887.55  159.944   63.056   0.9789   63.250   1.3027 -0.1941566 1.629490 
1 1 1    1   40   14 o   78.406   0.9134  5991.23  133.435  6035.32  167.076  5913.59  221.726   78.820   1.0920   77.993   1.4645 0.8272018 1.826815 
1 1 1    1   40   15 o   45.347   0.8145  1978.28   69.734  1915.83   88.207  2082.36  113.876   44.408   1.0232   46.286   1.2674 -1.878323 1.628918 
1 1 1    1   40   16 o   74.192   0.8961  5342.54  124.403  5320.72  156.205  5380.38  205.708   74.000   1.0874   74.384   1.4246 -0.3845520 1.792232 
1 1 1    1   40   17 o   25.999   1.1734  652.396   58.541  622.562   76.457  694.670   91.011   25.292   1.5573   26.706   1.7556 -1.414679 2.346740 
1 1 1    1   40   18 o   92.704   1.0382  8402.47  179.622  8510.01  225.743  8216.88  296.555   93.550   1.2431   91.858   1.6631 1.692429 2.076353 
1 1 1    1   40   19 o   68.942   0.8937  4616.46  115.805  4594.86  146.334  4652.64  189.430   68.746   1.0966   69.138   1.4115 -0.3920975 1.787355 
1 1 1    1   40   20 f   13.008   2.4625  175.184   65.609  230.107   90.330  113.857   95.451   14.974   3.2044   11.042   3.7400 3.931766 4.924973 
1 1 1    1   40   21 o   26.436   1.3428  696.980   66.853  746.005   86.637  624.827  105.105   27.638   1.6149   25.234   2.1458 2.403997 2.685526 
1 1 1    1   40   22 o   23.271   1.5142  539.011   67.477  581.276   90.737  486.717  100.929   24.335   1.9208   22.208   2.3413 2.127396 3.028391 
1 1 1    1   40   23 o   36.057   1.0798  1289.29   74.291  1380.99   98.720  1169.53  112.813   37.589   1.3529   34.525   1.6833 3.063320 2.159603 
1 1 1    1   40   24 o   32.684   1.0966  1051.85   69.352  1077.05   95.042  1023.16  101.426   33.122   1.4782   32.246   1.6203 0.8762474 2.193286 
1 1 1    1   40   25 o   24.621   1.4136  603.727   67.340  545.219   94.684  663.614   95.793   23.385   2.0858   25.856   1.9086 -2.470135 2.827209 
1 1 1    1   40   26 o   12.856   2.5713  182.469   68.612  228.071   96.155  135.167   97.933   14.408   3.4777   11.305   3.7885 3.102413 5.142665 
1 1 1    1   40   27 o   10.988   2.6439  121.387   69.308   72.581   93.124  181.993  103.771   9.2997   3.6077   12.676   3.8658 -3.376219 5.287728 
1 1 1    1   40   28 o   12.246   2.9417  157.860   85.510  263.140  135.315   87.866  110.332   14.608   4.4054   9.8837   3.8996 4.724506 5.883413 
1 1 1    1   41    0 o  106.137   1.8959 11161.03  248.262 11219.84  264.138 10715.47  727.056  107.481   1.2660  104.793   3.5741 2.688034 3.791739 
1 1 1    1   41    1 o   51.190   2.4303  2467.98   79.784  2462.85   80.892  2651.23  483.600   50.366   0.8274   52.014   4.7896 -1.648060 4.860535 
1 1 1    1   41    2 o   52.826   0.7256  2704.36   70.116  2693.86   85.747  2725.55  121.804   52.675   0.8386   52.976   1.1844 -0.3010483 1.451260 
1 1 1    1   41    3 f   99.281   1.0034  9595.20  183.967  9640.98  227.758  9509.28  312.043   99.636   1.1776   98.926   1.6249 0.7093811 2.006777 
1 1 1    1   41    4 o   9.4775   2.0980   74.731   41.127   51.789   49.543  125.593   73.765   7.7315   2.6918   11.224   3.2187 -3.492046 4.195939 
1 1 1    1   41    5 o   69.436   0.8089  4637.07  102.288  4554.09  124.152  4812.44  180.485   68.485   0.9339   70.387   1.3209 -1.901718 1.617722 
1 1 1    1   41    6 o   85.329   1.0559  7074.27  174.891  7185.46  248.159  6964.56  246.517   85.996   1.4866   84.663   1.5000 1.333000 2.111844 
1 1 1    1   41    7 o  126.947   1.3614 15660.99  335.256 15439.63  464.476 15901.75  484.397  126.014   1.8988  127.879   1.9514 -1.865616 2.722725 
1 1 1    1   41    8 o   82.537   1.0232  6619.66  163.917  6674.74  231.068  6563.85  232.566   82.884   1.4362   82.191   1.4577 0.6926880 2.046309 
1 1 1    1   41    9 o   28.203   1.0371  768.478   56.599  695.988   76.929  854.025   83.571   26.761   1.4809   29.645   1.4523 -2.883722 2.074145 
1 1 1    1   41   10 o   18.801   1.5222  347.350   54.984  297.939   79.144  393.448   76.444   17.491   2.3309   20.110   1.9582 -2.618790 3.044320 
1 1 1    1   41   11 o   8.9617   2.2104   48.715   48.518   7.6980   60.293  124.078   81.726   6.6747   2.7880   11.249   3.4308 -4.573980 4.420767 
1 1 1    1   41   12 o   36.704   0.8625  1323.23   59.762  1375.41   76.953  1243.95   94.864   37.630   1.0535   35.777   1.3659 1.852619 1.724990 
1 1 1    1   41   13 o   75.579   0.8905  5574.73  125.981  5643.11  158.934  5459.14  206.643   76.218   1.0742   74.941   1.4205 1.276794 1.780942 
1 1 1    1   41   14 o   73.846   0.8894  5345.52  122.941  5479.53  155.643  5123.19  200.475   75.101   1.0676   72.591   1.4227 2.509949 1.778729 
1 1 1    1   41   15 o   81.730   0.9478  6524.30  144.534  6605.78  181.557  6383.32  238.823   82.449   1.1344   81.010   1.5187 1.438492 1.895596 
1 1 1    1   41   16 o   74.547   0.8977  5396.48  125.660  5376.49  158.594  5430.19  205.974   74.379   1.0984   74.716   1.4201 -0.3377380 1.795373 
1 1 1    1   41   17 o   72.119   0.8935  5068.47  121.196  5103.02  153.725  5011.72  197.010   72.461   1.0929   71.777   1.4140 0.6836700 1.787089 
1 1 1    1   41   18 f   47.148   0.8662  2148.17   77.628  2096.97   99.564  2227.55  123.973   46.444   1.1043   47.851   1.3347 -1.406754 1.732301 
1 1 1    1   41   19 o   48.096   0.8790  2253.42   80.253  2262.50  103.335  2239.62  127.394   48.232   1.1037   47.961   1.3683 0.2707367 1.757989 
1 1 1    1   41   20 o   16.967   2.0044  282.158   62.821  195.968   82.839  398.812   96.373   13.795   3.1611   20.139   2.4652 -6.343591 4.008719 
1 1 1    1   41   21 o   22.647   1.6076  519.456   68.581  606.663   92.300  411.968  102.473   24.878   1.9113   20.417   2.5855 4.460258 3.215279 
1 1 1    1   41   22 o   24.954   1.3542  612.535   65.172  618.621   87.598  604.989   97.537   25.111   1.7970   24.797   2.0263 0.3140335 2.708357 
1 1 1    1   41   23 o   9.8784   2.4833   80.975   61.926   36.871   84.324  132.607   91.238   8.3565   3.3713   11.400   3.6471 -3.043853 4.966642 
1 1 1    1   41   24 o   18.373   1.8120  339.306   64.193  289.047   88.274  395.712   93.517   16.898   2.6911   19.848   2.4272 -2.949932 3.624040 
1 1 1    1   41   25 o   13.799   2.4744  207.391   66.442  219.500   93.219  194.888   94.726   14.230   3.4176   13.367   3.5793 0.8631535 4.948863 
1 1 1    1   41   26 o   16.274   2.2835  287.937   70.351  342.830   97.857  229.219  101.210   18.218   2.7672   14.331   3.6332 3.886794 4.566958 
1 1 1    1   41   27 o   14.477   2.5817  236.360   72.270  214.727   96.833  263.563  108.585   13.759   3.5883   15.196   3.7128 -1.437308 5.163400 
1 1 1    1   41   28 f   13.556   2.5839  171.568   83.475  415.902  132.498   10.761  107.490   18.945   3.7356   8.1664   3.5710 10.77865 5.167860 
1 1 1    1   42    0 o   49.779   2.5028  2308.86   75.939  2303.19   76.877  2537.16  487.553   48.706   0.8131   50.853   4.9390 -2.146721 5.005520 
1 1 1    1   42    1 f   49.424   2.8713  2733.15   85.042  2753.35   86.285  2046.98  502.865   53.253   0.8347   45.595   5.6815 7.657745 5.742516 
1 1 1    1   42    2 o   93.552   0.9872  8502.69  170.256  8504.08  210.122  8500.04  290.513   93.576   1.1568   93.527   1.6002 0.4831696E-01 1.974479 
1 1 1    1   42    3 o   50.851   0.7403  2508.10   67.904  2503.12   82.027  2518.95  121.046   50.775   0.8322   50.926   1.2245 -0.1506424 1.480512 
1 1 1    1   42    4 o   86.727   0.9280  7265.78  147.666  7183.52  180.821  7430.48  255.853   86.006   1.0831   87.448   1.5072 -1.442574 1.855998 
1 1 1    1   42    5 o   7.1858   2.0589   18.657   41.529   12.259   49.637   33.582   75.816   6.2497   2.5622   8.1219   3.2236 -1.872238 4.117836 
1 1 1    1   42    6 o   49.549   0.8404  2384.55   80.831  2375.83  114.107  2393.33  114.518   49.458   1.1885   49.640   1.1884 -0.1819153 1.680764 
1 1 1    1   42    7 o   75.165   0.9756  5490.58  142.312  5628.24  200.995  5352.19  201.526   76.111   1.3604   74.219   1.3988 1.892181 1.951232 
1 1 1    1   42    8 o   42.035   5.4923  1828.56  420.446  1887.80  529.725  1727.71  691.180   43.591   6.2602   40.480   9.0261 3.111134 10.98457 
1 1 1    1   42    9 o   50.930   0.8743  2518.23   86.399  2467.14  119.958  2573.31  124.546   50.394   1.2263   51.466   1.2466 -1.072147 1.748670 
1 1 1    1   42   10 o   25.225   1.1586  617.794   56.646  571.738   78.654  667.423   81.648   24.249   1.6709   26.201   1.6053 -1.952482 2.317113 
1 1 1    1   42   11 o   98.794   1.1681  9491.14  224.001  9522.45  314.871  9459.05  318.734   98.960   1.6391   98.627   1.6648 0.3328247 2.336299 
1 1 1    1   42   12 o   67.369   0.8371  4388.15  104.727  4336.79  129.973  4483.22  176.833   66.820   1.0020   67.919   1.3412 -1.098923 1.674213 
1 1 1    1   42   13 o   97.164   1.0609  9186.35  191.474  9202.37  238.499  9157.29  321.150   97.309   1.2626   97.019   1.7053 0.2901993 2.121808 
1 1 1    1   42   14 o   44.318   0.8621  1950.73   71.654  2096.73   92.358  1729.98  113.567   46.456   1.0242   42.181   1.3870 4.275253 1.724138 
1 1 1    1   42   15 o   9.1677   2.4102   62.990   56.348   60.400   72.614   66.910   89.335   8.8009   3.2358   9.5346   3.5730 -0.7336321 4.820390 
1 1 1    1   42   16 o   15.896   2.0415  265.300   59.125  317.516   77.654  193.276   91.202   18.038   2.2178   13.755   3.4280 4.282948 4.082914 
1 1 1    1   42   17 f  103.054   1.1243 10359.81  216.605 10414.27  272.302 10265.97  357.432  103.468   1.3558  102.641   1.7939 0.8265686 2.248616 
1 1 1    1   42   18 f   65.759   0.8918  4237.06  110.218  4332.09  140.248  4083.57  178.238   66.751   1.0824   64.768   1.4177 1.982872 1.783626 
1 1 1    1   42   19 o   46.171   0.9070  2074.54   80.062  2068.25  104.452  2083.49  124.660   46.100   1.1672   46.243   1.3887 -0.1435966 1.814098 
1 1 1    1   42   20 o   41.474   0.9538  1683.39   75.313  1711.88   97.887  1642.07  117.903   41.924   1.2028   41.024   1.4806 0.9004135 1.907566 
1 1 1    1   42   21 o   33.896   1.0753  1122.89   69.796  1122.12   91.507  1123.96  107.927   33.902   1.3905   33.891   1.6405 0.1117325E-01 2.150530 
1 1 1    1   42   22 o   34.899   1.0339  1183.72   69.808  1085.18   94.346  1302.94  103.772   33.305   1.4593   36.492   1.4649 -3.187767 2.067760 
1 1 1    1   42   23 o   30.632   1.1498  922.085   68.333  893.735   94.748  952.815   98.644   30.144   1.6192   31.120   1.6329 -0.9768791 2.299636 
1 1 1    1   42   24 f   9.7462   2.5483   82.052   64.441   58.183   89.744  107.458   92.589   9.0032   3.5280   10.489   3.6782 -1.486125 5.096681 
1 1 1    1   42   25 o   31.639   1.1839  990.938   72.604  975.120   99.703  1008.80  105.937   31.385   1.6365   31.893   1.7111 -0.5082932 2.367722 
1 1 1    1   42   26 o   10.096   2.5860   94.982   68.788  146.203   94.135   36.289  100.767   11.542   3.7059   8.6490   3.6078 2.893383 5.171990 
1 1 1    1   42   27 o   17.784   2.2161  339.102   73.300  241.405   98.125  462.450  110.257   14.566   3.5114   21.003   2.7044 -6.436915 4.432136 
1 1 1    1   43    0 o   26.043   4.0206  879.745   57.096  888.017   57.581  395.018  440.770   30.241   0.9809   21.845   7.9811 8.395277 8.041127 
1 1 1    1   43    1 o   22.231   3.7964  672.654   53.633  681.744   54.036   70.377  439.849   26.496   1.0506   17.966   7.5197 8.529367 7.592711 
1 1 1    1   43    2 o   67.167   0.7878  4304.45   96.725  4160.91  117.413  4607.58  170.625   65.461   0.9240   68.872   1.2762 -3.410995 1.575611 
1 1 1    1   43    3 o  112.135   1.1191 12283.15  232.804 12440.11  290.360 12000.65  389.548  113.164   1.3218  111.106   1.8062 2.057922 2.238161 
1 1 1    1   43    4 o   48.449   0.7532  2282.72   66.264  2288.52   80.607  2270.61  116.373   48.549   0.8553   48.349   1.2399 0.2000999 1.506323 
1 1 1    1   43    5 o   91.032   0.9634  8063.52  161.151  8089.90  198.367  8012.33  276.364   91.266   1.1197   90.798   1.5680 0.4676971 1.926713 
1 1 1    1   43    6 o   67.919   0.8194  4487.90  101.601  4501.58  124.225  4460.25  176.577   68.085   0.9399   67.754   1.3426 0.3314209 1.638879 
1 1 1    1   43    7 o   52.917   0.8609  2711.24   88.238  2590.14  120.028  2853.66  130.163   51.636   1.1975   54.198   1.2372 -2.561588 1.721795 
1 1 1    1   43    8 o   70.207   0.9466  4789.65  129.001  4866.98  182.486  4712.40  182.383   70.774   1.3283   69.640   1.3492 1.134239 1.893288 
1 1 1    1   43    9 o   85.860   1.0690  7163.77  178.138  7329.90  254.098  7003.21  249.807   86.839   1.5074   84.881   1.5161 1.958031 2.137929 
1 1 1    1   43   10 o   11.372   2.0902  112.044   56.396  243.382   81.882  -6.4824   77.786   15.557   2.8150   7.1869   3.0905 8.370380 4.180385 
1 1 1    1   43   11 o   18.907   1.6468  348.896   60.337  333.531   86.535  363.434   84.172   18.498   2.4099   19.315   2.2450 -0.8168564 3.293542 
1 1 1    1   43   12 o   41.795   0.8432  1681.99   66.033  1640.39   82.678  1755.28  109.732   41.093   1.0365   42.496   1.3302 -1.402969 1.686324 
1 1 1    1   43   13 o   63.271   0.8592  3892.66  101.589  3897.81  127.505  3883.73  168.107   63.340   1.0370   63.202   1.3702 0.1379585 1.718406 
1 1 1    1   43   14 o   73.337   0.9058  5211.50  123.399  5171.29  153.361  5285.32  207.821   72.953   1.0829   73.720   1.4522 -0.7675323 1.811559 
1 1 1    1   43   15 o   69.056   0.8749  4625.42  113.396  4593.50  142.895  4679.70  186.355   68.750   1.0707   69.362   1.3841 -0.6119308 1.749884 
1 1 1    1   43   16 o   11.765   2.0836  143.045   58.082  240.671   74.722  -5.9994   92.325   15.692   2.4531   7.8377   3.3686 7.853786 4.167147 
1 1 1    1   43   17 o   7.3390   2.2271  -7.8311   58.039   23.181   75.696 -52.0682   90.407   7.7959   3.1763   6.8822   3.1226 0.9136491 4.454153 
1 1 1    1   43   18 o   67.159   0.9049  4420.68  113.031  4499.54  141.625  4282.33  187.598   68.018   1.0726   66.299   1.4577 1.718971 1.809776 
1 1 1    1   43   19 o   26.266   1.2641  650.098   63.264  543.195   80.789  819.578  101.723   23.576   1.7653   28.955   1.8098 -5.378323 2.528157 
1 1 1    1   43   20 f   14.001   2.3695  204.141   63.142  208.784   83.627  197.985   96.300   14.214   3.1167   13.787   3.5701 0.4274750 4.739075 
1 1 1    1   43   21 o   25.012   1.3146  610.462   63.627  564.946   86.004  665.497   94.570   23.990   1.8468   26.034   1.8713 -2.043602 2.629188 
1 1 1    1   43   22 o   23.663   1.4110  553.418   64.760  528.778   91.684  577.951   91.485   23.128   2.0422   24.199   1.9475 -1.071424 2.821974 
1 1 1    1   43   23 o   9.1027   2.4742   63.706   61.566   68.466   86.447   58.808   87.701   9.2204   3.5014   8.9851   3.4968 0.2353268 4.948487 
1 1 1    1   43   24 o   8.4079   2.4304   24.985   65.109 -22.0722   89.915   76.863   94.407   7.1979   3.2015   9.6179   3.6575 -2.420017 4.860755 
1 1 1    1   43   25 o   10.468   2.5788  107.329   66.844  154.157   93.721   58.846   95.363   11.867   3.6833   9.0683   3.6103 2.798610 5.157620 
1 1 1    1   43   26 o   8.7598   2.4852   25.933   69.360 -49.9775   93.211  120.116  103.826   6.7500   3.1031   10.770   3.8828 -4.019672 4.970454 
1 1 1    1   43   27 o   20.826   2.0392  450.874   80.750  524.618  131.033  405.720  102.534   22.042   3.0624   19.610   2.6936 2.432375 4.078405 
1 1 1    1   44    0 o   60.614   3.0788  4140.60  116.650  4175.60  118.530  3063.19  657.551   65.576   0.9311   55.652   6.0867 9.924004 6.157527 
1 1 1    1   44    1 o  105.980   2.1195 11262.64  253.287 11336.17  266.453 10573.17  815.885  108.027   1.2706  103.933   4.0440 4.094894 4.238931 
1 1 1    1   44    2 o   89.792   2.2141  8307.82  198.705  8385.95  206.744  7361.26  719.580   92.919   1.1462   86.666   4.2773 6.253815 4.428190 
1 1 1    1   44    3 o   86.773   0.9305  7326.74  148.801  7352.28  183.751  7278.08  253.620   87.006   1.0880   86.539   1.5098 0.4667587 1.860919 
1 1 1    1   44    4 o   48.578   0.7583  2292.73   66.394  2294.01   80.193  2289.94  118.385   48.606   0.8499   48.550   1.2561 0.5534744E-01 1.516668 
1 1 1    1   44    5 o   55.873   0.7768  3026.13   78.565  3015.50   95.158  3048.92  139.246   55.726   0.8797   56.019   1.2805 -0.2932243 1.553543 
1 1 1    1   44    6 o  151.924   1.3792 22578.53  393.132 22952.74  498.172 21960.77  640.072  153.649   1.6703  150.199   2.1953 3.450073 2.758479 
1 1 1    1   44    7 o  100.416   1.1964  9804.92  233.121  9827.77  325.426  9780.83  334.113  100.538   1.6675  100.293   1.7162 0.2455750 2.392828 
1 1 1    1   44    8 o   61.507   0.9103  3673.33  108.594  3620.11  150.019  3731.90  157.397   61.040   1.2661   61.973   1.3084 -0.9331207 1.820652 
1 1 1    1   44    9 o   60.493   0.8942  3548.97  104.900  3405.89  144.440  3708.67  152.599   59.205   1.2568   61.780   1.2724 -2.574722 1.788468 
1 1 1    1   44   10 o   62.339   0.9239  3776.56  111.735  3958.61  158.970  3598.79  157.083   63.825   1.2831   60.853   1.3298 2.972507 1.847884 
1 1 1    1   44   11 o   64.605   0.9430  4054.27  118.217  4189.14  169.468  3926.43  164.992   65.651   1.3298   63.558   1.3373 2.092365 1.885911 
1 1 1    1   44   12 o  115.405   1.2127 13010.66  259.805 13132.93  324.045 12790.60  434.710  116.213   1.4364  114.596   1.9542 1.616478 2.425315 
1 1 1    1   44   13 o   54.764   0.8202  2871.77   84.731  2742.71  106.738  3091.67  139.324   53.132   1.0349   56.397   1.2726 -3.264538 1.640316 
1 1 1    1   44   14 o   75.488   0.9159  5557.92  129.175  5603.76  162.372  5478.88  213.200   75.933   1.1016   75.043   1.4636 0.8897552 1.831808 
1 1 1    1   44   15 f   73.832   0.9013  5342.29  125.497  5485.71  160.747  5118.42  200.831   75.128   1.1022   72.536   1.4263 2.592171 1.802580 
1 1 1    1   44   16 o   75.928   0.9188  5624.70  130.982  5675.92  165.813  5539.68  213.607   76.410   1.1179   75.445   1.4585 0.9651947 1.837675 
1 1 1    1   44   17 f   62.619   0.8781  3846.39  103.469  3948.66  132.055  3683.78  166.521   63.726   1.0675   61.512   1.3946 2.213642 1.756254 
1 1 1    1   44   18 o   56.717   0.8846  3132.42   93.348  3132.86  116.475  3131.62  156.084   56.748   1.0573   56.685   1.4185 0.6334686E-01 1.769197 
1 1 1    1   44   19 o   46.315   0.8987  2089.23   78.283  2085.93   99.103  2094.70  127.660   46.289   1.1029   46.340   1.4191 -0.5142593E-01 1.797336 
1 1 1    1   44   20 o   15.535   2.0605  249.463   59.334  270.328   77.501  219.916   92.229   16.541   2.4137   14.529   3.3400 2.011566 4.120913 
1 1 1    1   44   21 o   9.0728   2.4472   59.129   60.730   83.761   84.813   33.211   86.998   9.7512   3.5101   8.3944   3.4110 1.356845 4.894447 
1 1 1    1   44   22 o   37.764   0.9872  1391.87   72.208  1299.47   98.334  1500.01  106.374   36.411   1.3912   39.118   1.4009 -2.706177 1.974338 
1 1 1    1   44   23 o   13.641   2.4103  201.533   63.861  222.430   88.666  179.008   92.056   14.417   3.2464   12.865   3.5636 1.551340 4.820655 
1 1 1    1   44   24 o   16.128   2.2772  279.650   68.761  295.219   96.332  263.478   98.181   16.652   3.0941   15.603   3.3422 1.048480 4.554493 
1 1 1    1   44   25 o   11.104   2.3592  110.309   69.507  247.311   96.095 -40.0187  100.660   14.975   3.3853   7.2331   3.2868 7.741574 4.718424 
1 1 1    1   44   26 o   8.6970   2.4977   15.110   72.516 -76.7372   98.499  123.808  107.154   6.5527   3.0720   10.841   3.9390 -4.288582 4.995349 
1 1 1    1   45    0 o   90.334   2.4130  8552.73  206.498  8643.64  214.041  7330.60  784.750   94.330   1.1689   86.338   4.6824 7.992798 4.826073 
1 1 1    1   45    1 o   31.377   4.1123  662.745   57.080  655.020   57.373  1415.39  566.304   25.968   1.1381   36.786   8.1454 -10.81833 8.224530 
1 1 1    1   45    2 o   48.838   4.0747  2955.08   90.921  2977.56   91.849  1859.64  641.246   55.375   0.8545   42.300   8.1045 13.07549 8.149417 
1 1 1    1   45    3 o  103.114   1.0544 10386.88  201.140 10512.35  250.005 10156.62  338.680  104.023   1.2381  102.205   1.7071 1.818146 2.108789 
1 1 1    1   45    4 o   17.350   1.7971  306.747   57.012  353.545   75.965  246.394   86.268   19.061   2.0531   15.638   2.9500 3.422675 3.594104 
1 1 1    1   45    5 o   60.500   0.7814  3541.47   86.276  3515.02  105.188  3595.84  150.816   60.164   0.9007   60.836   1.2771 -0.6721840 1.562742 
1 1 1    1   45    6 o   76.732   0.8883  5739.95  124.954  5780.37  153.583  5660.81  214.907   77.146   1.0256   76.318   1.4506 0.8277740 1.776549 
1 1 1    1   45    7 o   42.204   0.9145  1719.42   74.665  1590.61  100.689  1876.78  111.290   40.460   1.2820   43.948   1.3045 -3.488373 1.829018 
1 1 1    1   45    8 o   42.617   5.4115  1973.28  415.641  2339.95  538.918  1435.00  652.976   48.546   5.7188   36.687   9.1887 11.85815 10.82302 
1 1 1    1   45    9 o   39.734   0.9300  1534.10   71.726  1569.22  102.104  1499.89  100.781   40.183   1.3090   39.285   1.3216 0.8982010 1.860083 
1 1 1    1   45   10 o   87.385   1.1058  7425.38  187.556  7387.60  262.850  7464.57  267.704   87.160   1.5536   87.610   1.5741 -0.4506149 2.211640 
1 1 1    1   45   11 o   46.327   0.9282  2088.00   83.398  2033.99  119.477  2139.32  116.466   45.740   1.3456   46.913   1.2789 -1.173080 1.856412 
1 1 1    1   45   12 o   55.525   0.8239  3002.95   86.185  3024.79  109.615  2967.58  139.477   55.799   1.0120   55.252   1.3004 0.5471420 1.647815 
1 1 1    1   45   13 o   12.341   2.2080  160.330   56.237  226.016   75.288   77.423   84.584   14.978   2.6882   9.7026   3.5036 5.275809 4.416039 
1 1 1    1   45   14 o   61.456   0.8575  3660.57   98.264  3631.90  122.695  3711.86  164.094   61.135   1.0339   61.777   1.3684 -0.6417122 1.715028 
1 1 1    1   45   15 o   50.945   0.8615  2548.52   83.680  2672.02  110.115  2379.71  128.739   52.431   1.0819   49.460   1.3409 2.970272 1.722932 
1 1 1    1   45   16 o   36.865   0.9636  1297.33   67.434  1209.95   85.584  1440.39  109.512   35.267   1.2501   38.463   1.4667 -3.195602 1.927217 
1 1 1    1   45   17 o   20.169   1.6551  399.698   62.087  401.599   77.558  396.307  103.601   20.266   1.9715   20.071   2.6590 0.1946144 3.310162 
1 1 1    1   45   18 o   45.623   0.9028  2037.12   77.219  2064.67   97.669  1991.19  126.113   46.059   1.0924   45.187   1.4377 0.8722420 1.805668 
1 1 1    1   45   19 f   9.7301   2.4896   80.509   59.829   79.274   78.233   82.248   92.855   9.4964   3.3761   9.9639   3.6597 -0.4674520 4.979135 
1 1 1    1   45   20 o   51.561   0.8713  2584.92   85.302  2552.12  109.454  2635.65  136.133   51.173   1.1019   51.950   1.3499 -0.7772560 1.742537 
1 1 1    1   45   21 o   32.525   1.0426  1039.31   65.622  1076.93   90.420  997.447   95.387   33.163   1.4046   31.887   1.5410 1.275856 2.085109 
1 1 1    1   45   22 o   31.189   1.1566  958.850   70.001  961.026   97.797  956.563  100.241   31.232   1.6131   31.146   1.6580 0.8566666E-01 2.313220 
1 1 1    1   45   23 o   7.8718   2.3787   7.2103   64.625 -10.7874   89.104   27.185   93.870   7.3813   3.2389   8.3623   3.4847 -0.9809928 4.757425 
1 1 1    1   45   24 o   19.248   1.8514  379.857   68.904  385.465   93.922  373.320  101.398   19.451   2.4875   19.045   2.7427 0.4058990 3.702709 
1 1 1    1   45   25 o   12.723   2.6334  184.326   70.428  218.009   96.096  145.238  103.519   13.927   3.5453   11.518   3.8948 2.408808 5.266794 
1 1 1    1   45   26 o   10.050   2.6665   93.000   71.660   49.488   95.748  148.411  108.049   8.6539   3.5544   11.446   3.9758 -2.792086 5.332959 
1 1 1    1   46    0 o   24.212   4.1931  796.620   58.275  805.045   58.605   56.410  549.345   28.790   1.0486   19.634   8.3203 9.156454 8.386151 
1 1 1    1   46    1 o  128.028   2.1217 16558.64  353.821 16763.97  380.508 15246.98  961.724  131.332   1.4925  124.725   3.9722 6.607231 4.243372 
1 1 1    1   46    2 o   96.709   2.3825  9766.01  230.915  9878.95  240.470  8428.92  827.379  100.840   1.2285   92.577   4.6040 8.262718 4.765074 
1 1 1    1   46    3 o  116.629   1.1509 13181.22  248.819 13079.94  308.459 13369.89  420.994  116.018   1.3696  117.240   1.8498 -1.221397 2.301703 
1 1 1    1   46    4 o   50.261   0.7865  2492.31   71.560  2564.64   87.423  2345.44  124.575   51.391   0.8763   49.131   1.3062 2.260120 1.572941 
1 1 1    1   46    5 o   38.386   0.8542  1429.95   58.523  1427.48   70.096  1435.62  106.328   38.339   0.9419   38.433   1.4252 -0.9452438E-01 1.708301 
1 1 1    1   46    6 o  125.508   1.2287 15345.57  286.238 15406.15  356.408 15235.49  480.410  125.896   1.4584  125.119   1.9780 0.7762146 2.457497 
1 1 1    1   46    7 o  110.076   1.1299 11822.54  229.422 11913.59  283.889 11651.13  389.516  110.721   1.3209  109.431   1.8337 1.290169 2.259860 
1 1 1    1   46    8 f   28.924   1.1605  815.203   64.600  681.696   89.967  957.298   92.816   26.471   1.7508   31.378   1.5238 -4.906710 2.321094 
1 1 1    1   46    9 o   36.455   0.9576  1293.31   67.661  1370.14   95.452  1215.72   95.923   37.546   1.3097   35.363   1.3973 2.182373 1.915146 
1 1 1    1   46   10 o   5.7843   1.9287 -110.9891   58.167 -178.4281   82.033 -42.7966   82.490   4.8926   2.4123   6.6760   3.0101 -1.783397 3.857466 
1 1 1    1   46   11 o   61.266   0.9313  3649.00  110.746  3649.13  157.730  3648.88  155.529   61.267   1.3262   61.266   1.3078 0.7781982E-03 1.862564 
1 1 1    1   46   12 o   90.544   1.0227  8009.47  172.327  8098.42  215.671  7852.42  286.591   91.272   1.2173   89.816   1.6438 1.455765 2.045429 
1 1 1    1   46   13 o   48.757   0.8531  2299.18   77.940  2266.37   97.813  2356.25  128.995   48.293   1.0434   49.221   1.3501 -0.9281960 1.706262 
1 1 1    1   46   14 o   28.442   1.1261  782.011   61.874  734.047   82.697  843.010   93.260   27.461   1.5514   29.424   1.6328 -1.963007 2.252281 
1 1 1    1   46   15 o   49.714   0.8564  2393.63   80.173  2362.97  101.403  2444.75  130.942   49.303   1.0595   50.125   1.3457 -0.8220558 1.712766 
1 1 1    1   46   16 o   8.7376   2.4165   45.195   58.580   37.113   75.895   57.107   92.135   8.1716   3.2310   9.3037   3.5942 -1.132125 4.833022 
1 1 1    1   46   17 o   44.252   0.9266  1921.09   76.531  1958.11   96.367  1857.86  125.934   44.857   1.1067   43.647   1.4864 1.209503 1.853122 
1 1 1    1   46   18 o   23.563   1.3721  519.134   61.061  440.680   76.314  658.724  101.795   21.213   1.8533   25.913   2.0237 -4.700031 2.744110 
1 1 1    1   46   19 o   44.240   0.9002  1918.33   75.294  1950.32   96.581  1868.77  120.223   44.739   1.1121   43.740   1.4159 0.9984932 1.800441 
1 1 1    1   46   20 o   15.660   1.9583  249.539   57.866  255.464   78.295  242.407   85.904   16.026   2.5168   15.293   3.0008 0.7321863 3.916545 
1 1 1    1   46   21 o   26.623   1.2368  698.587   63.906  682.307   89.542  715.489   91.235   26.306   1.7535   26.940   1.7446 -0.6341915 2.473581 
1 1 1    1   46   22 o   28.558   1.2420  812.156   68.311  864.699   93.064  750.773  100.588   29.607   1.6193   27.510   1.8836 2.097303 2.483987 
1 1 1    1   46   23 o   37.065   1.0658  1363.69   76.086  1441.03  103.341  1272.14  112.438   38.264   1.3913   35.866   1.6150 2.398159 2.131606 
1 1 1    1   46   24 o   12.222   2.6088  166.150   70.791  224.520   96.403   97.843  104.287   14.205   3.5152   10.239   3.8558 3.966068 5.217625 
1 1 1    1   46   25 o   24.797   1.5997  626.251   76.876  588.192  105.272  669.736  112.527   23.993   2.2603   25.600   2.2644 -1.606848 3.199427 
1 1 1    1   46   26 o   16.824   2.6228  336.044   84.830  261.004  128.493  394.019  112.941   14.556   4.2696   19.092   3.0474 -4.535755 5.245631 
1 1 1    1   47    0 o   86.487   2.6692  7988.99  195.992  8070.45  201.719  6615.22  828.397   91.148   1.1401   81.827   5.2153 9.320732 5.338434 
1 1 1    1   47    1 o   34.632   4.5644  1076.45   61.864  1073.57   62.160  1376.91  634.464   33.248   0.9631   36.016   9.0779 -2.768322 9.128872 
1 1 1    1   47    2 o   70.720   2.7254  4925.90  133.017  4927.58  135.276  4876.71  730.848   71.230   0.9784   70.211   5.3623 1.018242 5.450865 
1 1 1    1   47    3 o   79.811   0.9125  6188.48  132.939  6186.46  162.390  6192.58  231.480   79.807   1.0482   79.816   1.4940 -0.8689880E-02 1.825076 
1 1 1    1   47    4 o  135.348   1.2712 17830.71  322.178 17859.63  405.562 17781.23  530.422  135.537   1.5415  135.159   2.0217 0.3784485 2.542304 
1 1 1    1   47    5 o   67.282   0.8420  4435.86  104.455  4522.03  129.586  4276.02  176.493   68.234   0.9784   66.330   1.3707 1.904022 1.684070 
1 1 1    1   47    6 o   34.658   0.8753  1176.55   53.875  1190.73   64.508  1143.88   97.953   35.014   0.9491   34.302   1.4711 0.7119370 1.750663 
1 1 1    1   47    7 o   29.013   1.0166  843.823   52.847  889.762   64.478  749.806   92.241   30.263   1.0976   27.763   1.7116 2.500641 2.033278 
1 1 1    1   47    8 o   81.803   1.0593  6501.24  168.091  6357.82  232.394  6658.60  243.421   80.860   1.4806   82.747   1.5155 -1.886932 2.118652 
1 1 1    1   47    9 o   24.567   1.3160  589.715   62.363  669.464   88.549  511.231   87.844   26.226   1.7393   22.909   1.9754 3.317358 2.631978 
1 1 1    1   47   10 o   46.351   0.9347  2087.58   84.040  2114.73  121.476  2062.66  116.388   46.639   1.3418   46.063   1.3016 0.5755501 1.869374 
1 1 1    1   47   11 o   62.861   0.9614  3831.31  117.132  3617.76  160.453  4074.95  171.387   60.992   1.3552   64.730   1.3640 -3.738384 1.922772 
1 1 1    1   47   12 o   51.280   0.8542  2573.24   81.976  2621.52  103.559  2492.22  134.154   51.940   1.0271   50.620   1.3653 1.319881 1.708474 
1 1 1    1   47   13 o   57.199   0.8779  3185.98   94.397  3200.12  119.571  3162.59  153.792   57.381   1.0735   57.017   1.3895 0.3640709 1.755887 
1 1 1    1   47   14 o   34.980   0.9725  1184.08   64.850  1157.18   83.679  1224.53  102.614   34.493   1.2498   35.467   1.4905 -0.9739876 1.945086 
1 1 1    1   47   15 o   50.185   0.8819  2448.33   83.358  2440.61  105.711  2461.02  135.546   50.096   1.0870   50.274   1.3889 -0.1778221 1.763740 
1 1 1    1   47   16 o   28.774   1.2086  806.528   65.372  800.698   82.586  816.310  106.977   28.657   1.4846   28.892   1.9074 -0.2351952 2.417125 
1 1 1    1   47   17 o   8.4937   2.3490   29.395   57.146  -9.3435   73.497   88.620   90.876   6.8582   2.9765   10.129   3.6347 -3.271139 4.697946 
1 1 1    1   47   18 o   34.871   0.9821  1189.50   64.950  1198.75   83.579  1175.39  103.200   35.064   1.2279   34.677   1.5331 0.3870277 1.964230 
1 1 1    1   47   19 o   14.498   2.1568  220.034   59.589  262.571   80.897  169.579   88.106   16.259   2.5631   12.736   3.4695 3.523319 4.313595 
1 1 1    1   47   20 o   40.297   0.9100  1578.88   70.319  1530.07   91.898  1647.84  109.223   39.571   1.1964   41.023   1.3716 -1.451569 1.820042 
1 1 1    1   47   21 f   22.791   1.4282  505.393   62.439  416.929   82.167  626.288   96.055   20.468   2.0681   25.114   1.9703 -4.646648 2.856374 
1 1 1    1   47   22 o   27.713   1.2811  763.692   68.682  805.099   95.169  718.686   99.219   28.528   1.7185   26.897   1.9003 1.630852 2.562122 
1 1 1    1   47   23 o   18.690   2.0109  367.739   70.527  405.370   97.299  326.080  102.375   19.936   2.5142   17.443   3.1390 2.493769 4.021704 
1 1 1    1   47   24 o   19.109   2.0907  399.793   72.493  493.437   99.218  292.552  106.177   21.997   2.3236   16.222   3.4763 5.774235 4.181368 
1 1 1    1   47   25 f   17.078   2.3568  320.330   74.660  281.620   97.698  374.669  115.753   15.867   3.2804   18.290   3.3850 -2.423297 4.713695 
1 1 1    1   48    0 o   59.521   3.2472  3500.41  105.925  3500.87  107.038  3478.61  736.349   60.040   0.9184   59.003   6.4291 1.037304 6.494329 
1 1 1    1   48    1 o   73.412   2.9281  5652.31  149.234  5679.63  151.988  4919.07  787.502   76.468   1.0239   70.357   5.7661 6.111122 5.856282 
1 1 1    1   48    2 o   89.095   2.5801  8012.09  197.084  8039.99  202.581  7518.89  851.808   90.971   1.1472   87.218   5.0312 3.752563 5.160294 
1 1 1    1   48    3 o   44.660   0.7526  1924.13   62.841  1889.13   78.552  1986.36  104.733   44.104   0.9175   45.215   1.1933 -1.110992 1.505230 
1 1 1    1   48    4 o   49.386   0.7902  2381.94   70.590  2404.22   85.720  2334.98  124.426   49.755   0.8875   49.017   1.3077 0.7388458 1.580416 
1 1 1    1   48    5 o   57.701   0.8026  3246.83   84.378  3270.11  103.089  3199.59  146.870   58.026   0.9152   57.377   1.3187 0.6493073 1.605143 
1 1 1    1   48    6 o   22.034   1.2857  491.124   50.816  526.619   62.405  421.275   87.543   23.275   1.3812   20.793   2.1689 2.481724 2.571345 
1 1 1    1   48    7 o   51.955   0.8028  2629.82   76.113  2643.11   93.076  2602.98  132.240   52.164   0.9192   51.746   1.3165 0.4182663 1.605632 
1 1 1    1   48    8 o   74.205   1.0161  5352.60  146.329  5226.14  204.635  5484.92  209.327   73.308   1.4380   75.102   1.4359 -1.793304 2.032126 
1 1 1    1   48    9 o   38.880   0.9822  1471.01   74.060  1436.50  106.313  1503.55  103.230   38.434   1.4250   39.325   1.3523 -0.8905220 1.964485 
1 1 1    1   48   10 o   22.177   1.5806  480.793   67.906  513.382   95.693  447.734   96.379   22.940   2.1489   21.414   2.3185 1.525797 3.161211 
1 1 1    1   48   11 o   25.128   1.4000  617.909   67.947  684.751   95.693  549.940   96.495   26.510   1.8595   23.746   2.0934 2.764688 2.800040 
1 1 1    1   48   12 o   37.641   0.9590  1377.71   67.940  1376.19   86.110  1380.23  110.581   37.624   1.1790   37.659   1.5127 -0.3503418E-01 1.917905 
1 1 1    1   48   13 o   20.229   1.5686  403.513   60.640  424.244   80.314  376.023   92.484   20.853   1.9841   19.606   2.4300 1.246246 3.137123 
1 1 1    1   48   14 o   8.7055   2.4292   27.738   60.883  -9.2376   77.586   86.999   98.223   7.0851   3.0666   10.326   3.7683 -3.240921 4.858403 
1 1 1    1   48   15 o   68.121   0.9140  4547.10  116.159  4623.48  146.074  4415.73  191.574   68.936   1.0916   67.305   1.4663 1.631210 1.828014 
1 1 1    1   48   16 o   10.977   2.4599  120.293   59.820  145.525   77.237   82.470   94.565   11.906   3.2507   10.049   3.6929 1.856566 4.919791 
1 1 1    1   48   17 o   41.384   0.9408  1667.00   73.325  1655.86   92.911  1685.39  119.395   41.225   1.1610   41.542   1.4806 -0.3164902 1.881513 
1 1 1    1   48   18 o   18.775   1.6972  352.491   59.708  364.458   75.969  333.155   96.570   19.246   2.0334   18.304   2.7179 0.9423580 3.394394 
1 1 1    1   48   19 o   34.026   0.9859  1125.13   64.128  1090.07   83.137  1176.62  100.765   33.397   1.2824   34.654   1.4979 -1.256969 1.971881 
1 1 1    1   48   20 o   14.439   2.2433  217.209   60.573  196.649   79.217  246.153   93.991   13.646   3.0654   15.232   3.2760 -1.586164 4.486524 
1 1 1    1   48   21 o   16.782   2.0077  292.872   62.417  301.000   81.170  281.111   97.636   17.298   2.4173   16.265   3.2063 1.032751 4.015406 
1 1 1    1   48   22 o   20.293   1.6736  413.206   65.555  356.974   89.057  479.709   96.850   18.770   2.4442   21.816   2.2869 -3.046049 3.347218 
1 1 1    1   48   23 o   14.482   2.3015  237.729   67.149  338.380   91.765  121.716   98.519   18.140   2.6060   10.824   3.7943 7.316226 4.603012 
1 1 1    1   48   24 o   11.853   2.7070  152.133   72.883   99.796   98.553  215.305  108.275   10.083   3.7579   13.623   3.8974 -3.539764 5.414005 
1 1 1    1   48   25 o   22.209   1.8166  519.648   77.221  533.633  102.212  501.050  117.868   22.713   2.3182   21.706   2.7974 1.007545 3.633155 
1 1 1    1   49    0 f   22.909   4.5750  550.536   58.970  553.653   59.234  202.356  626.011   23.869   1.2784   21.949   9.0602 1.919399 9.149945 
1 1 1    1   49    1 o   30.211   4.9375  1141.37   67.199  1147.09   67.532  565.837  677.200   34.364   1.0124   26.058   9.8230 8.305933 9.875072 
1 1 1    1   49    2 o   45.635   5.7878  2172.80  496.339  2274.62  667.447  2046.84  742.374   47.432   7.2490   43.837   9.0247 3.594631 11.57553 
1 1 1    1   49    3 o   14.850   4.9016 -25.2792   58.717 -28.7402   58.959  394.395  649.243   5.6924   2.5577   24.008   9.4636 -18.31529 9.803115 
1 1 1    1   49    4 o   59.675   0.8094  3459.73   89.069  3458.67  109.956  3461.75  151.900   59.672   0.9493   59.678   1.3112 -0.5699158E-02 1.618771 
1 1 1    1   49    5 o   62.979   0.8297  3823.08   94.927  3766.75  115.030  3943.36  168.077   62.271   0.9516   63.687   1.3595 -1.415909 1.659490 
1 1 1    1   49    6 o   19.870   1.4420  404.683   51.342  445.554   63.596  328.188   87.003   21.402   1.5308   18.337   2.4442 3.064962 2.883979 
1 1 1    1   49    7 o   30.691   0.9733  914.110   53.606  911.299   64.460  920.413   96.529   30.625   1.0843   30.758   1.6167 -0.1324062 1.946678 
1 1 1    1   49    8 o   24.508   1.1420  600.402   49.487  625.125   59.547  545.207   88.973   25.360   1.2096   23.657   1.9375 1.703411 2.284093 
1 1 1    1   49    9 o   45.488   0.9510  2015.02   83.865  1938.18  120.134  2088.06  117.129   44.639   1.3864   46.338   1.3021 -1.699707 1.902032 
1 1 1    1   49   10 f   47.043   0.9652  2153.22   88.106  2184.81  123.367  2120.33  125.872   47.397   1.3408   46.689   1.3888 0.7080383 1.930464 
1 1 1    1   49   11 o   24.355   1.4960  597.089   68.485  456.519  101.298  715.432   92.945   21.612   2.4146   27.099   1.7669 -5.487055 2.992023 
1 1 1    1   49   12 o   24.507   1.2647  586.872   59.086  593.326   76.873  577.554   92.362   24.683   1.6044   24.332   1.9554 0.3503304 2.529412 
1 1 1    1   49   13 o   13.203   2.3218  163.702   61.511   88.285   79.335  277.374   97.399   9.8933   3.4084   16.513   3.1536 -6.619397 4.643541 
1 1 1    1   49   14 o   36.501   1.0524  1315.25   71.611  1361.62   90.433  1237.29  117.262   37.398   1.2457   35.604   1.6966 1.794411 2.104839 
1 1 1    1   49   15 o   86.145   1.0352  7246.03  164.895  7265.80  204.370  7209.15  279.122   86.377   1.2189   85.913   1.6737 0.4641953 2.070456 
1 1 1    1   49   16 o   22.965   1.4257  523.417   62.061  548.259   80.733  487.531   97.033   23.668   1.7572   22.261   2.2455 1.407526 2.851303 
1 1 1    1   49   17 f   30.209   1.0935  882.458   62.922  843.183   80.718  943.293  100.458   29.381   1.4153   31.038   1.6673 -1.657152 2.187017 
1 1 1    1   49   18 o   10.156   2.1628   93.188   57.416  184.432   74.709 -38.4570   89.737   13.316   2.9663   6.9960   3.1483 6.319641 4.325618 
1 1 1    1   49   19 o   33.221   1.0471  1085.52   66.345  1097.43   86.432  1068.43  103.514   33.478   1.3300   32.964   1.6177 0.5143852 2.094214 
1 1 1    1   49   20 o   10.507   2.4781  103.278   59.587   67.700   77.098  156.057   93.904   8.9295   3.3245   12.085   3.6757 -3.155133 4.956108 
1 1 1    1   49   21 o   8.3450   2.3526   32.827   61.258   86.219   83.187 -30.4229   90.542   9.6244   3.4747   7.0656   3.1725 2.558814 4.705136 
1 1 1    1   49   22 o   26.259   1.3525  700.815   67.667  783.664   91.391  600.286  100.672   28.094   1.6758   24.423   2.1234 3.671165 2.705047 
1 1 1    1   49   23 o   11.312   2.6585  139.831   68.279  146.315   95.884  133.160   97.253   11.516   3.7442   11.108   3.7750 0.4080000 5.316944 
1 1 1    1   49   24 o   20.008   1.9329  420.013   74.900  393.658  101.863  451.035  110.515   19.339   2.7134   20.676   2.7535 -1.337496 3.865781 
1 1 1    1   50    0 o   28.960   4.9764  989.007   66.532  993.044   66.842  556.334  692.060   31.970   1.0771   25.950   9.8944 6.019663 9.952862 
1 1 1    1   50    1 o   39.576   5.4234  1623.27   73.916  1623.27   74.205  1622.72  838.080   40.880   0.9351   38.273   10.806 2.606098 10.84684 
1 1 1    1   50    2 o   46.853   4.9545  1957.99   79.546  1953.01   79.856  2595.82  903.662   44.840   0.9174   48.866   9.8664 -4.026093 9.908942 
1 1 1    1   50    3 o   29.477   5.5891  892.939   66.227  894.168   66.412  674.099  886.051   30.334   1.1278   28.620   11.121 1.714596 11.17817 
1 1 1    1   50    4 o   43.695   0.8379  1854.26   66.522  1851.88   80.887  1859.24  116.933   43.662   0.9543   43.729   1.3776 -0.6652451E-01 1.675836 
1 1 1    1   50    5 o   22.878   1.2560  486.576   53.908  426.921   66.650  599.433   91.673   20.947   1.6391   24.810   1.9035 -3.863245 2.511976 
1 1 1    1   50    6 o   18.158   1.5756  324.432   51.718  329.629   62.895  313.582   90.880   18.401   1.7608   17.915   2.6133 0.4857731 3.151102 
1 1 1    1   50    7 o   37.269   0.9006  1356.25   62.068  1369.63   77.062  1331.54  104.724   37.542   1.0574   36.996   1.4582 0.5460930 1.801284 
1 1 1    1   50    8 o   53.547   0.8184  2774.68   81.111  2746.23  100.310  2828.40  137.860   53.164   0.9720   53.930   1.3169 -0.7655411 1.636738 
1 1 1    1   50    9 o   36.453   1.0392  1291.34   73.493  1340.03  106.182  1246.56  101.825   37.111   1.4739   35.794   1.4655 1.317188 2.078467 
1 1 1    1   50   10 o   30.777   1.1967  921.859   71.060  790.445   98.429  1064.91  102.694   28.482   1.7803   33.072   1.5996 -4.589424 2.393355 
1 1 1    1   50   11 o   32.175   1.1880  1008.76   74.157  1001.99  106.449  1015.14  103.368   32.068   1.7101   32.282   1.6495 -0.2141609 2.375980 
1 1 1    1   50   12 o   29.128   1.1100  805.287   60.404  752.922   74.744  903.870  102.555   27.810   1.3845   30.445   1.7353 -2.634506 2.219973 
1 1 1    1   50   13 o   48.123   0.8928  2230.37   79.864  2173.00   98.921  2337.77  135.343   47.264   1.0782   48.982   1.4234 -1.718399 1.785681 
1 1 1    1   50   14 o   27.591   1.2200  733.295   64.202  691.315   82.415  798.092  102.392   26.614   1.5953   28.568   1.8464 -1.954426 2.440097 
1 1 1    1   50   15 o   28.227   1.2182  752.379   63.920  692.161   78.402  871.757  110.388   26.625   1.5170   29.829   1.9064 -3.203718 2.436331 
1 1 1    1   50   16 o   55.405   0.8869  3003.33   91.245  3026.52  113.794  2961.55  152.704   55.746   1.0516   55.065   1.4286 0.6809616 1.773894 
1 1 1    1   50   17 o   11.122   2.4294  124.998   57.325  120.634   75.920  130.787   87.432   10.882   3.3039   11.363   3.5626 -0.4809074 4.858851 
1 1 1    1   50   18 o   37.396   0.9281  1356.05   66.476  1297.59   86.404  1440.84  104.061   36.437   1.2216   38.355   1.3977 -1.917763 1.856253 
1 1 1    1   50   19 o   19.847   1.5387  394.766   58.098  403.946   75.615  381.538   90.772   20.186   1.9297   19.507   2.3971 0.6784725 3.077325 
1 1 1    1   50   20 o   16.482   1.9768  286.447   60.140  317.245   79.732  245.799   91.598   17.783   2.3097   15.180   3.2088 2.602746 3.953663 
1 1 1    1   50   21 o   32.706   1.1114  1047.06   69.893  984.899   91.695  1133.25  107.977   31.588   1.4954   33.824   1.6445 -2.236305 2.222783 
1 1 1    1   50   22 o   11.797   2.5235  153.912   65.872  205.392   89.663   93.545   97.093   13.613   3.4024   9.9799   3.7278 3.633582 5.047064 
1 1 1    1   50   23 o   14.741   2.3302  251.091   69.439  361.526   95.195  125.511  101.513   18.640   2.6309   10.842   3.8467 7.797878 4.660367 
1 1 1    1   50   24 o   27.623   1.4968  783.679   79.953  824.947  110.545  738.413  115.777   28.465   2.0006   26.782   2.2270 1.683409 2.993669 
1 1 1    1   51    0 o   14.858   4.7398   93.450   60.704   96.183   60.902 -324.1931  752.829   9.8642   2.9512   19.852   9.0085 -9.987769 9.479566 
1 1 1    1   51    1 o   89.384   3.1505  8951.25  220.842  9065.36  226.592  6787.79  986.607   96.579   1.2086   82.189   6.1839 14.38964 6.300928 
1 1 1    1   51    2 o   55.586   3.9902  2852.57   97.287  2846.48   97.890  3342.50  877.577   54.133   0.9316   57.040   7.9258 -2.906967 7.980339 
1 1 1    1   51    3 o   39.605   5.5068  2223.26   86.938  2237.08   87.425  994.331  824.310   47.989   0.9385   31.222   10.974 16.76698 11.01364 
1 1 1    1   51    4 o   42.623   0.8667  1757.05   67.196  1740.64   81.629  1791.56  118.349   42.327   0.9935   42.919   1.4205 -0.5921135 1.733461 
1 1 1    1   51    5 o   54.817   0.8153  2899.41   81.773  2857.73   99.784  2984.64  142.688   54.235   0.9478   55.400   1.3268 -1.164833 1.630587 
1 1 1    1   51    6 o   9.4137   2.3393   77.844   52.034   89.532   63.845   54.720   89.801   9.6293   3.0478   9.1981   3.5498 0.4312162 4.678693 
1 1 1    1   51    7 o   79.625   0.9325  6133.96  136.292  6069.31  167.014  6262.85  235.807   79.025   1.0887   80.226   1.5142 -1.200684 1.864961 
1 1 1    1   51    8 o   42.105   0.8741  1750.10   68.884  1831.42   87.731  1619.39  111.231   43.411   1.0411   40.800   1.4044 2.611412 1.748227 
1 1 1    1   51    9 o   25.709   1.3375  644.117   66.731  661.594   95.470  627.422   93.312   26.050   1.8880   25.368   1.8949 0.6820831 2.674921 
1 1 1    1   51   10 o   53.069   0.9734  2737.91  100.216  2668.00  138.762  2814.12  144.890   52.363   1.3652   53.775   1.3880 -1.412506 1.946854 
1 1 1    1   51   11 o   37.368   1.0510  1360.44   76.220  1387.38  107.383  1333.09  108.205   37.743   1.4657   36.993   1.5068 0.7494698 2.102061 
1 1 1    1   51   12 o   42.545   0.8851  1719.13   69.360  1632.66   84.578  1896.70  121.204   40.969   1.0635   44.121   1.4152 -3.151592 1.770244 
1 1 1    1   51   13 o   21.871   1.4625  448.910   60.080  396.303   74.456  547.095  101.719   20.127   1.9057   23.615   2.2190 -3.487867 2.925020 
1 1 1    1   51   14 o   70.798   0.9323  4931.88  122.998  5055.34  154.801  4720.46  202.566   72.057   1.1067   69.539   1.5006 2.518532 1.864585 
1 1 1    1   51   15 o   11.616   2.3516  144.551   61.294  204.428   77.209   42.496  100.800   14.087   2.9195   9.1457   3.6873 4.940817 4.703150 
1 1 1    1   51   16 o   21.755   1.4905  458.782   61.881  427.486   79.429  507.110   98.704   20.848   1.9626   22.662   2.2438 -1.813145 2.981018 
1 1 1    1   51   17 f   13.875   2.2601  195.029   58.699  163.770   74.918  244.727   94.464   12.492   3.1033   15.258   3.2865 -2.765636 4.520123 
1 1 1    1   51   18 o   18.716   1.6108  340.785   57.787  286.584   75.266  418.610   90.189   16.947   2.2880   20.486   2.2679 -3.539791 3.221532 
1 1 1    1   51   19 o   32.313   1.0720  1016.77   66.377  962.395   86.243  1095.78  103.961   31.293   1.4198   33.333   1.6067 -2.040239 2.144091 
1 1 1    1   51   20 o   14.453   2.3070  225.727   61.853  228.106   78.628  221.865  100.183   14.695   2.8593   14.212   3.6212 0.4836550 4.613917 
1 1 1    1   51   21 o   14.237   2.3289  228.713   63.845  265.242   81.522  170.768  102.676   16.076   2.6123   12.398   3.8564 3.678355 4.657901 
1 1 1    1   51   22 o   17.695   2.0977  332.845   70.078  328.648   94.111  338.070  104.992   17.772   2.7279   17.617   3.1875 0.1552467 4.195436 
1 1 1    1   51   23 o   15.738   2.3528  274.283   71.338  196.415   97.324  364.698  104.873   12.993   3.6875   18.483   2.9230 -5.490200 4.705502 
1 1 1    1   52    0 o   71.381   3.3573  5350.49  146.380  5367.02  148.440  4767.42  881.577   74.318   1.0289   68.444   6.6353 5.874290 6.714592 
1 1 1    1   52    1 o   38.913   5.2528  1982.84   82.357  1992.89   82.858  1158.34  750.195   45.291   0.9425   32.536   10.463 12.75510 10.50564 
1 1 1    1   52    2 o   33.034   4.9178  1741.39   80.231  1759.01   80.708  263.638  739.009   42.548   0.9772   23.519   9.7870 19.02947 9.835685 
1 1 1    1   52    3 o   50.603   5.8536  4251.45  125.051  4305.31  126.200  1334.53  928.750   66.566   0.9767   34.641   11.666 31.92437 11.70724 
1 1 1    1   52    4 o   65.669   3.6165  4118.99  123.268  4111.89  124.384  4509.39  921.989   65.053   0.9850   66.284   7.1655 -1.231445 7.232923 
1 1 1    1   52    5 o   26.680   1.1424  668.535   56.331  618.570   68.657  771.454   98.537   25.217   1.4025   28.142   1.8038 -2.924255 2.284898 
1 1 1    1   52    6 o   8.9974   2.3550   63.091   53.987   77.665   66.900   35.879   91.415   9.2346   3.1310   8.7602   3.5186 0.4743881 4.710003 
1 1 1    1   52    7 o   60.606   0.8362  3593.48   93.483  3644.31  115.880  3498.75  158.199   61.240   0.9748   59.972   1.3589 1.268517 1.672375 
1 1 1    1   52    8 o   25.680   1.1879  660.057   54.822  692.405   66.954  594.251   95.497   26.680   1.2928   24.680   1.9933 2.000227 2.375837 
1 1 1    1   52    9 o   34.196   0.9960  1157.76   62.435  1201.11   77.388  1076.92  105.671   35.146   1.1343   33.246   1.6374 1.899727 1.991908 
1 1 1    1   52   10 o   59.183   0.9894  3410.78  113.633  3411.69  158.652  3409.83  162.833   59.194   1.3807   59.172   1.4176 0.2123260E-01 1.978894 
1 1 1    1   52   11 o   9.9342   2.4333   64.311   64.956 -24.9450   90.367  159.724   93.432   7.3412   3.2400   12.527   3.6312 -5.186094 4.866558 
1 1 1    1   52   12 o   10.433   2.5025   97.222   57.054   88.816   68.701  115.906  102.422   9.6474   3.1709   11.218   3.8723 -1.570964 5.004947 
1 1 1    1   52   13 o   16.268   2.0445  240.403   60.564  161.480   74.306  396.600  104.534   12.506   3.0810   20.031   2.6884 -7.524926 4.088978 
1 1 1    1   52   14 o   26.858   1.1979  691.754   60.870  646.068   76.795  768.967   99.835   25.709   1.5388   28.007   1.8364 -2.297266 2.395830 
1 1 1    1   52   15 o   13.278   2.2789  179.320   57.596  153.849   74.892  216.190   90.107   12.163   3.1477   14.392   3.2962 -2.229144 4.557722 
1 1 1    1   52   16 o   8.9364   2.4380   57.379   59.134   60.519   76.328   52.664   93.523   8.7789   3.3001   9.0939   3.5895 -0.3150063 4.876015 
1 1 1    1   52   17 o   5.3852   1.8340 -123.5984   57.979 -72.2287   74.353 -203.2909   92.609   5.6671   2.6607   5.1033   2.5249 0.5637493 3.668097 
1 1 1    1   52   18 o   40.544   0.9694  1635.10   73.609  1701.05   93.723  1528.94  118.914   41.692   1.1581   39.397   1.5549 2.294895 1.938773 
1 1 1    1   52   19 o   10.463   2.5047  108.774   59.673   98.730   77.213  123.670   94.030   9.9368   3.3637   10.989   3.7121 -1.052158 5.009411 
1 1 1    1   52   20 o   10.778   2.5348  121.378   60.682  122.301   76.016  119.756  100.751   10.702   3.3164   10.853   3.8342 -0.1511917 5.069538 
1 1 1    1   52   21 o   25.152   1.4409  641.827   69.299  667.646   91.724  607.491  105.778   25.835   1.8290   24.469   2.2270 1.366018 2.881764 
1 1 1    1   52   22 o   9.5713   2.5520   74.085   66.710   24.017   88.541  139.824  101.456   7.9049   3.3446   11.238   3.8554 -3.332829 5.103984 
1 1 1    1   53    0 o   23.033   4.8100  550.347   66.331  554.045   66.605  103.657  732.037   23.865   1.4378   22.201   9.5119 1.663822 9.619992 
1 1 1    1   53    1 o   44.866   4.0640  1549.33   76.964  1539.08   77.340  2596.25  781.847   39.799   1.0011   49.933   8.0662 -10.13438 8.128059 
1 1 1    1   53    2 o   27.570   4.9221  976.268   71.677  983.214   72.012  234.655  744.066   31.803   1.1665   23.336   9.7748 8.467402 9.844118 
1 1 1    1   53    3 o   70.170   3.7529  5108.86  143.355  5116.91  144.920  4742.17  978.160   72.564   1.0288   67.775   7.4349 4.789131 7.505751 
1 1 1    1   53    4 o   55.014   4.8640  3083.48  105.171  3082.38  105.792  3176.50  972.031   56.323   0.9676   53.706   9.6798 2.616459 9.728080 
1 1 1    1   53    5 o   25.793   1.2211  636.418   57.599  614.434   69.939  682.759  101.543   25.128   1.4338   26.458   1.9771 -1.329960 2.442254 
1 1 1    1   53    6 o   56.954   0.8502  3147.05   87.378  3134.76  105.538  3173.83  155.804   56.797   0.9572   57.111   1.4054 -0.3136864 1.700405 
1 1 1    1   53    7 o   6.1862   2.0387 -65.0235   53.631 -65.1934   63.632 -64.6067   99.651   5.2660   2.4689   7.1063   3.2450 -1.840319 4.077475 
1 1 1    1   53    8 o   7.1927   2.1438  -1.4912   53.913   43.048   64.485 -104.9180   98.267   7.9187   3.0200   6.4668   3.0434 1.451838 4.287529 
1 1 1    1   53    9 o   44.610   0.8823  1950.84   70.948  1975.17   85.976  1898.91  125.607   45.072   0.9827   44.147   1.4657 0.9253616 1.764630 
1 1 1    1   53   10 o   7.3445   2.2808 -39.4766   66.284   24.352   90.093 -114.7975   97.868   8.3807   3.4457   6.3084   2.9893 2.072316 4.561673 
1 1 1    1   53   11 o   22.112   1.6221  482.310   69.293  523.919   96.627  438.260   99.421   23.113   2.1537   21.110   2.4262 2.003056 3.244167 
1 1 1    1   53   12 o   27.216   1.2141  705.429   59.678  674.693   71.509  775.952  108.319   26.299   1.4007   28.133   1.9835 -1.833715 2.428195 
1 1 1    1   53   13 o   10.763   2.4316  115.986   57.540  132.404   73.698   90.353   92.088   11.349   3.2046   10.176   3.6581 1.173059 4.863243 
1 1 1    1   53   14 o   32.128   1.0738  1010.20   65.015  1012.29   82.647  1006.80  105.305   32.201   1.3222   32.055   1.6924 0.1467476 2.147615 
1 1 1    1   53   15 f   21.760   1.4595  468.256   60.486  472.194   78.534  462.514   94.835   21.909   1.8466   21.611   2.2606 0.2978020 2.918982 
1 1 1    1   53   16 o   12.575   2.2651  161.791   55.118  131.075   71.592  206.495   86.369   11.184   3.1587   13.965   3.2474 -2.781701 4.530244 
1 1 1    1   53   17 o   50.070   0.8885  2448.48   82.237  2430.98  101.666  2481.60  139.869   49.882   1.0499   50.257   1.4337 -0.3746452 1.777044 
1 1 1    1   53   18 o   16.783   2.0457  300.344   61.529  321.979   77.429  263.272  101.353   17.934   2.2241   15.631   3.4341 2.303386 4.091429 
1 1 1    1   53   19 o   10.793   2.4107  125.599   59.829  166.126   76.485   61.706   96.037   12.391   3.1677   9.1944   3.6348 3.196162 4.821466 
1 1 1    1   53   20 o   19.861   1.6399  395.542   62.712  360.038   82.516  444.090   96.492   18.845   2.2557   20.878   2.3808 -2.033659 3.279729 
1 1 1    1   53   21 f   11.530   2.5878  148.301   64.945  148.958   88.246  147.525   95.925   11.551   3.5723   11.510   3.7452 0.4115963E-01 5.175651 
1 1 1    1   53   22 o   8.3007   2.3996 -24.9720   70.508 -142.0920   92.610  136.529  108.751   5.5173   2.6871   11.084   3.9763 -5.566667 4.799106 
1 1 1    1   54    0 o   55.073   4.2769  3194.32  105.621  3198.01  106.407  2947.16  870.856   57.369   0.9555   52.777   8.5003 4.591331 8.553807 
1 1 1    1   54    1 o   40.195   5.4179  1644.81   79.668  1643.66   80.022  1774.44  847.705   41.126   1.0024   39.264   10.789 1.862255 10.83581 
1 1 1    1   54    2 o   28.577   5.5071  731.272   66.982  730.166   67.201  900.092  830.317   27.400   1.2634   29.755   10.941 -2.354549 11.01416 
1 1 1    1   54    3 f   29.728   5.5715  1110.39   75.203  1115.51   75.410  182.235  1015.53   33.873   1.1469   25.584   11.084 8.289097 11.14291 
1 1 1    1   54    4 o   64.604   4.5374  3353.33  110.976  3336.99  111.425  5365.34  1236.58   58.598   0.9796   70.610   9.0217 -12.01240 9.074763 
1 1 1    1   54    5 o   15.752   1.9606  220.166   55.398  171.775   65.954  336.097  102.085   13.001   2.7016   18.504   2.8421 -5.502679 3.921257 
1 1 1    1   54    6 o   45.170   0.8796  1998.88   71.605  2023.00   86.748  1947.31  126.849   45.621   0.9796   44.719   1.4613 0.9018745 1.759224 
1 1 1    1   54    7 o   75.349   0.9321  5525.22  128.118  5521.90  156.410  5531.98  223.345   75.353   1.0693   75.345   1.5271 0.7843018E-02 1.864214 
1 1 1    1   54    8 o   52.224   0.8712  2679.12   82.517  2724.44  100.657  2586.25  144.088   52.932   0.9796   51.517   1.4408 1.415443 1.742324 
1 1 1    1   54    9 o   17.767   1.8766  323.317   57.810  336.987   70.232  294.594  101.804   18.559   1.9495   16.974   3.2071 1.584181 3.753182 
1 1 1    1   54   10 f   21.312   1.4306  438.711   51.935  431.979   60.190  458.329  102.746   21.044   1.4735   21.580   2.4527 -0.5363827 2.861296 
1 1 1    1   54   11 o   24.609   1.4894  595.203   71.046  557.536  100.378  633.015  100.571   23.820   2.1709   25.399   2.0398 -1.579458 2.978859 
1 1 1    1   54   12 f   28.669   1.2026  836.855   62.485  908.058   77.774  707.213  104.944   30.508   1.3133   26.830   2.0150 3.678230 2.405179 
1 1 1    1   54   13 o   25.650   1.2379  651.540   59.816  673.740   76.674  617.020   95.611   26.248   1.5048   25.052   1.9661 1.195518 2.475876 
1 1 1    1   54   14 o   24.538   1.3096  579.029   61.422  521.003   78.919  668.178   97.821   23.028   1.7655   26.047   1.9347 -3.018856 2.619126 
1 1 1    1   54   15 o   16.228   1.8729  264.556   57.227  221.724   76.739  318.218   85.895   14.615   2.8070   17.842   2.4801 -3.227019 3.745713 
1 1 1    1   54   16 o   8.1826   2.3453   35.674   57.988   46.494   77.046   21.536   88.071   8.3076   3.2647   8.0577   3.3680 0.2499590 4.690617 
1 1 1    1   54   17 o   20.237   1.5992  417.743   61.030  449.472   79.543  372.331   95.161   21.274   1.9261   19.199   2.5534 2.075542 3.198398 
1 1 1    1   54   18 f   14.950   2.1562  249.671   60.476  315.371   80.087  162.507   92.247   17.681   2.3334   12.219   3.6267 5.462102 4.312494 
1 1 1    1   54   19 o   15.684   2.0943  262.246   60.587  269.306   77.541  251.179   97.083   16.249   2.4583   15.120   3.3914 1.129332 4.188644 
1 1 1    1   54   20 o   11.383   2.5353  139.807   62.051  119.547   81.283  168.102   96.062   10.542   3.4483   12.223   3.7176 -1.681788 5.070669 
1 1 1    1   54   21 o   5.7643   1.9731 -131.9691   67.632 -99.8862   87.763 -178.8804  106.124   5.7873   2.7672   5.7413   2.8133 0.4600286E-01 3.946141 
1 1 1    1   55    0 o   26.839   5.5302  745.237   68.453  747.230   68.629  358.911  955.532   27.715   1.2757   25.964   10.986 1.750589 11.06032 
1 1 1    1   55    1 o   19.992   4.5991  411.144   65.755  417.336   65.949 -636.9236  857.991   20.696   1.6416   19.289   9.0505 1.407293 9.198197 
1 1 1    1   55    2 o   24.871   7.4681  273.467  640.560  566.733  830.472 -157.2652  1006.46   26.420   10.608   23.322   10.515 3.097729 14.93610 
1 1 1    1   55    3 o   32.107   5.6955  1316.29   74.899  1320.71   75.116  550.765  987.407   36.857   1.0499   27.357   11.342 9.500381 11.39097 
1 1 1    1   55    4 o   30.144   5.6671  1132.91   76.631  1137.32   76.838  315.466  1045.25   34.194   1.1576   26.094   11.275 8.099901 11.33414 
1 1 1    1   55    5 o   32.758   1.0557  1075.37   61.898  1127.89   75.347  966.343  108.556   34.050   1.1399   31.466   1.7772 2.584169 2.111408 
1 1 1    1   55    6 o   13.913   2.0826  231.044   55.754  317.210   69.406   74.282   93.616   18.010   1.9853   9.8154   3.6616 8.194439 4.165188 
1 1 1    1   55    7 o   43.647   1.0522  1860.35   88.917  1901.18  122.250  1814.49  129.562   44.165   1.4260   43.130   1.5475 1.034821 2.104318 
1 1 1    1   55    8 o   43.318   0.9162  1841.29   71.008  1862.70   85.510  1793.72  127.443   43.759   1.0067   42.878   1.5312 0.8811722 1.832436 
1 1 1    1   55    9 o   35.885   0.9816  1226.17   64.602  1169.54   78.486  1345.14  113.757   34.655   1.1667   37.115   1.5789 -2.459465 1.963229 
1 1 1    1   55   10 o   24.177   1.3128  553.084   58.904  510.183   72.128  638.989  102.066   22.844   1.6266   25.510   2.0612 -2.665817 2.625654 
1 1 1    1   55   11 o   13.570   2.4228  192.006   63.803  187.559   88.672  196.780   91.873   13.411   3.4012   13.728   3.4513 -0.3174763 4.845527 
1 1 1    1   55   12 o   17.033   1.9775  312.973   59.077  361.950   74.805  231.795   96.306   19.181   2.0091   14.885   3.4066 4.295300 3.954964 
1 1 1    1   55   13 o   9.2370   2.3214   69.392   56.919  119.796   74.953   0.7291   87.482   10.821   3.2822   7.6526   3.2837 3.168827 4.642830 
1 1 1    1   55   14 o   11.216   2.3265  113.564   55.501   59.619   69.891  205.655   91.317   8.5246   3.1670   13.908   3.4089 -5.383408 4.652990 
1 1 1    1   55   15 o   12.507   2.3392  170.494   57.278  187.390   72.564  142.564   93.293   13.350   2.8844   11.665   3.6834 1.684566 4.678344 
1 1 1    1   55   16 o   21.726   1.4814  451.708   61.134  353.390   78.366  604.576   97.716   18.813   2.1458   24.640   2.0430 -5.826145 2.962827 
1 1 1    1   55   17 o   13.012   2.3881  172.008   60.790  122.479   77.320  252.184   98.376   10.771   3.3459   15.253   3.4084 -4.481774 4.776183 
1 1 1    1   55   18 o   9.8776   2.2804   97.953   57.902  158.993   73.032  -5.3484   95.007   12.109   3.0951   7.6458   3.3499 4.463673 4.560897 
1 1 1    1   55   19 o   12.654   2.5063  181.657   63.426  194.494   79.787  159.617  104.544   13.328   3.1362   11.981   3.9103 1.346944 5.012646 
1 1 1    1   55   20 o   30.773   1.2460  933.816   72.932  874.972   93.049  1027.56  117.443   29.614   1.6186   31.932   1.8946 -2.318352 2.491909 
1 1 1    1   55   21 o   7.8457   2.2641  -3.0002   66.541  102.980   85.219 -168.5476  106.509   9.8683   3.5220   5.8230   2.8459 4.045234 4.528149 
1 1 1    1   56    0 o   28.136   5.2795  1064.78   74.741  1071.30   74.940 -158.9683  1027.02   33.183   1.1634   23.090   10.495 10.09313 10.55894 
1 1 1    1   56    1 o   28.398   5.7030  849.471   72.975  850.838   73.173  598.415  991.536   29.564   1.2750   27.231   11.335 2.333080 11.40605 
1 1 1    1   56    2 o   29.939   8.1253  980.588  663.464  813.744  908.831  1170.96  970.791   28.320   11.186   31.559   11.788 -3.239126 16.25053 
1 1 1    1   56    3 o   22.055   5.7435  224.114   67.764  220.108   67.956  929.349  901.675   14.980   2.3369   29.130   11.247 -14.14976 11.48692 
1 1 1    1   56    4 o   27.170   6.3417  259.124   66.583  252.488   66.712  1961.44  1068.49   16.054   2.1407   38.286   12.501 -22.23159 12.68331 
1 1 1    1   56    5 o   11.206   2.3074  123.084   52.991   99.744   69.222  156.125   82.360   10.079   3.1716   12.334   3.3522 -2.255121 4.614830 
1 1 1    1   56    6 o   9.3981   2.4294   54.390   55.604   23.183   66.938  123.859   99.871   7.3844   2.9951   11.412   3.8258 -4.027308 4.858716 
1 1 1    1   56    7 o   30.846   1.1159  926.218   61.419  922.013   73.516  935.934  111.759   30.766   1.2310   30.926   1.8617 -0.1597939 2.231833 
1 1 1    1   56    8 o   27.236   1.1995  697.790   56.419  667.069   65.473  786.400  111.195   26.159   1.2894   28.313   2.0231 -2.154097 2.399071 
1 1 1    1   56    9 o   9.0443   2.2697   24.571   52.901 -32.8728   63.597  153.582   95.307   5.8279   2.6339   12.261   3.6972 -6.432971 4.539454 
1 1 1    1   56   10 o   33.363   1.0248  1111.67   61.520  1155.80   75.022  1021.09  107.492   34.440   1.1222   32.285   1.7152 2.154583 2.049659 
1 1 1    1   56   11 o   20.829   1.6790  433.907   66.284  324.237   92.707  548.601   94.807   18.059   2.6445   23.599   2.0695 -5.540266 3.358047 
1 1 1    1   56   12 o   34.641   1.0166  1180.38   66.515  1201.18   85.216  1147.95  106.406   35.068   1.2518   34.213   1.6022 0.8546295 2.033216 
1 1 1    1   56   13 o   16.077   1.8625  257.101   57.676  242.301   76.161  277.002   88.315   15.561   2.5213   16.592   2.7419 -1.031546 3.724970 
1 1 1    1   56   14 o   7.7739   2.1918   13.811   56.690   83.061   74.402 -82.0408   87.533   9.3930   3.2971   6.1549   2.8889 3.238087 4.383632 
1 1 1    1   56   15 o   15.221   2.1763  243.870   61.050  237.945   78.697  252.823   96.745   15.087   2.7899   15.355   3.3407 -0.2682705 4.352507 
1 1 1    1   56   16 o   24.515   1.3682  590.520   63.007  568.709   79.038  628.546  104.360   23.972   1.6985   25.058   2.1455 -1.086044 2.736461 
1 1 1    1   56   17 o   21.586   1.5185  467.691   61.989  463.774   79.140  473.910   99.716   21.555   1.8914   21.617   2.3763 -0.6222343E-01 3.037098 
1 1 1    1   56   18 o   22.061   1.5881  514.755   64.209  579.667   82.212  413.235  102.814   24.107   1.7568   20.015   2.6462 4.091789 3.176262 
1 1 1    1   56   19 o   9.8259   2.5937   86.131   65.784   57.665   84.520  129.874  104.774   8.6366   3.4113   11.015   3.9080 -2.378453 5.187492 
1 1 1    1   56   20 f   10.276   2.6280  111.871   65.913  114.901   82.084  106.370  110.595   10.243   3.4682   10.309   3.9494 -0.6563568E-01 5.256082 
1 1 1    1   57    0 o   41.667   6.9525  2035.29   87.788  2035.24   87.978  2046.88  1335.91   45.744   0.9908   37.590   13.870 8.154457 13.90496 
1 1 1    1   57    1 o   19.965   6.1750  148.801   67.131  147.112   67.242  658.716  1168.48   11.968   2.9201   27.962   12.000 -15.99356 12.35010 
1 1 1    1   57    2 o   21.239   4.9460  444.279   67.277  448.179   67.446 -328.8620  949.685   21.427   1.6215   21.051   9.7582 0.3761616 9.891962 
1 1 1    1   57    3 f   20.289   5.0103  360.663   67.241  363.879   67.404 -299.9171  966.004   19.293   1.7998   21.285   9.8577 -1.992163 10.02067 
1 1 1    1   57    4 o   62.295   5.0838  3864.14  123.212  3856.80  123.856  4564.33  1210.33   62.962   1.0134   61.629   10.117 1.333065 10.16768 
1 1 1    1   57    5 o   33.490   7.1712  993.352   73.450  991.239   73.534  1911.91  1532.88   31.902   1.1874   35.079   14.293 -3.176222 14.34239 
1 1 1    1   57    6 o   21.977   1.5322  494.812   58.045  522.148   69.050  428.963  107.170   23.123   1.5384   20.832   2.6502 2.290712 3.064338 
1 1 1    1   57    7 o   17.577   1.7636  281.235   56.871  237.235   68.176  381.906  103.124   15.521   2.2627   19.633   2.7059 -4.111502 3.527270 
1 1 1    1   57    8 o   23.246   1.3643  529.464   57.200  527.704   69.102  533.296  101.944   23.234   1.5322   23.259   2.2579 -0.2543259E-01 2.728680 
1 1 1    1   57    9 o   27.251   1.1994  739.532   58.525  759.846   70.857  695.920  103.819   27.901   1.3082   26.601   2.0106 1.300648 2.398727 
1 1 1    1   57   10 o   20.613   1.4796  410.918   54.692  398.447   65.357  440.051   99.894   20.160   1.6701   21.066   2.4428 -0.9065037 2.959166 
1 1 1    1   57   11 o   19.612   1.5101  370.123   55.890  339.041   70.042  424.600   92.729   18.541   1.9460   20.683   2.3096 -2.141283 3.020165 
1 1 1    1   57   12 o   17.369   1.7026  295.333   56.160  274.419   71.325  329.451   91.099   16.614   2.2116   18.124   2.5893 -1.510246 3.405270 
1 1 1    1   57   13 o   10.387   2.3724   77.045   59.943   2.2796   75.874  201.202   97.776   7.1253   3.0578   13.648   3.6282 -6.522703 4.744885 
1 1 1    1   57   14 o   9.1647   2.4148   59.429   57.899   23.065   73.951  117.028   93.071   7.5349   3.1124   10.794   3.6929 -3.259428 4.829545 
1 1 1    1   57   15 o   11.966   2.5370  154.085   62.881  156.680   80.916  150.129   99.911   12.059   3.3413   11.872   3.8185 0.1875515 5.073997 
1 1 1    1   57   16 o   17.697   1.8593  308.463   62.613  259.860   79.596  387.358  101.410   15.957   2.5697   19.437   2.6877 -3.480403 3.718502 
1 1 1    1   57   17 o   14.824   2.3620  234.589   65.140  205.531   83.024  281.118  105.060   13.714   3.1805   15.934   3.4930 -2.219817 4.724063 
1 1 1    1   57   18 o   7.6413   2.3420   3.6452   65.227   36.886   82.565 -51.5484  106.391   8.0516   3.3031   7.2311   3.3209 0.8204722 4.683901 
1 1 1    1   57   19 f   15.443   2.3563  252.528   66.313  208.839   81.829  336.116  113.185   13.677   3.1474   17.208   3.5074 -3.530560 4.712552 
1 1 1    1   58    0 o   26.918   5.3632  934.538   72.447  939.263   72.585 -303.2408  1174.74   31.052   1.2042   22.784   10.659 8.268040 10.72633 
1 1 1    1   58    1 o   31.748   5.5848  1501.75   80.459  1508.55   80.638 -22.1649  1207.19   39.369   1.0552   24.127   11.120 15.24180 11.16962 
1 1 1    1   58    2 o   22.436   5.6570  360.791   67.099  360.136   67.240  517.071  1038.54   19.183   1.8057   25.689   11.169 -6.506636 11.31407 
1 1 1    1   58    3 o   44.206   6.3732  2730.15  102.222  2737.60  102.658  1857.62  1111.05   53.039   0.9971   35.373   12.707 17.66591 12.74644 
1 1 1    1   58    4 o   44.767   7.1431  3263.04  110.652  3269.55  110.849  1437.64  1855.54   57.962   0.9852   31.573   14.252 26.38912 14.28620 
1 1 1    1   58    5 o   30.773   6.9624  1033.18   74.714  1033.71   74.756  563.077  2223.03   32.568   1.1825   28.978   13.875 3.590519 13.92480 
1 1 1    1   58    6 o   26.488   1.2284  675.411   58.532  656.377   70.134  719.093  106.248   25.928   1.3935   27.049   2.0235 -1.121315 2.456899 
1 1 1    1   58    7 f   45.339   0.9070  1944.76   73.009  1860.55   86.295  2156.86  136.948   43.709   1.0171   46.969   1.5020 -3.259350 1.813990 
1 1 1    1   58    8 o   17.491   1.7466  297.668   55.999  286.728   68.176  320.354   98.179   17.062   2.0584   17.920   2.8223 -0.8582001 3.493252 
1 1 1    1   58    9 f   44.395   0.8610  1895.23   69.831  1841.22   84.826  2008.82  123.007   43.469   1.0053   45.322   1.3982 -1.852444 1.722039 
1 1 1    1   58   10 o   12.572   2.2413  150.364   55.059   94.566   69.045  247.818   91.249   9.7635   3.1774   15.381   3.1619 -5.617236 4.482541 
1 1 1    1   58   11 o   11.642   2.2886  135.174   50.606  120.833   60.880  167.239   91.032   10.744   2.8661   12.540   3.5688 -1.795870 4.577244 
1 1 1    1   58   12 o   14.531   2.0962  253.406   57.104  343.589   72.481  105.819   92.722   18.596   2.0078   10.466   3.6803 8.130424 4.192368 
1 1 1    1   58   13 o   17.296   2.0767  346.220   60.601  414.340   75.055  218.637  102.717   20.435   1.8921   14.158   3.6974 6.277184 4.153369 
1 1 1    1   58   14 o   16.584   1.9535  288.602   59.157  302.433   75.763  266.999   94.685   17.358   2.2485   15.810   3.1952 1.548529 3.907020 
1 1 1    1   58   15 o   12.977   2.2549  190.941   59.992  247.985   77.470  105.495   94.816   15.593   2.5594   10.362   3.7133 5.231291 4.509857 
1 1 1    1   58   16 o   6.8468   2.1927 -35.0252   62.866  -4.5029   79.332 -86.5442  103.068   7.0225   3.0694   6.6711   3.1323 0.3513527 4.385473 
1 1 1    1   58   17 o   10.402   2.3400  110.255   64.243  193.324   81.774 -23.6772  103.833   13.227   3.2159   7.5765   3.4000 5.650778 4.679981 
1 1 1    1   58   18 o   21.447   1.6840  458.869   67.147  422.121   82.483  531.075  115.621   20.365   2.0865   22.528   2.6439 -2.163162 3.368024 
1 1 1    1   59    0 o   23.541   5.9641  474.575   68.053  475.582   68.122 -18.2145  1507.15   22.053   1.5913   25.029   11.822 -2.976427 11.92822 
1 1 1    1   59    1 o   29.707   9.2683  1177.91  1008.90  1478.89  1715.39  1018.73  1247.48   30.973   13.865   28.442   12.303 2.530521 18.53655 
1 1 1    1   59    2 o   22.815   5.8130  415.036   69.626  415.335   69.730  315.549  1272.79   20.591   1.7445   25.038   11.494 -4.447126 11.62591 
1 1 1    1   59    3 o   39.092   7.6860  1900.59   86.106  1899.58   86.176  2523.78  2143.12   44.170   1.0051   34.015   15.339 10.15556 15.37201 
1 1 1    1   59    4 o   25.478   6.6063  557.593   68.258  558.044   68.292  108.016  2156.63   23.896   1.4723   27.059   13.130 -3.163891 13.21257 
1 1 1    1   59    5 o   31.543   1.1668  970.078   71.447  970.078   71.447   0.0000   0.0000   31.543   1.1668  ?   ?       ?      ? 
1 1 1    1   59    6 o   19.309   1.4972  363.291   52.564  355.532   63.700  379.849   93.055   19.040   1.7235   19.577   2.4486 -0.5375710 2.994335 
1 1 1    1   59    7 o   38.429   0.9381  1479.20   64.956  1547.19   79.451  1342.16  112.803   39.846   1.0272   37.013   1.5700 2.833038 1.876192 
1 1 1    1   59    8 o   27.604   1.1763  790.441   58.000  877.193   71.927  629.166   98.071   29.964   1.2366   25.243   2.0014 4.720915 2.352594 
1 1 1    1   59    9 o   7.5512   2.1680   22.319   52.262   59.883   63.311 -58.0282   92.593   8.3380   3.0281   6.7643   3.1034 1.573688 4.335942 
1 1 1    1   59   10 o   34.499   0.9981  1195.19   62.673  1253.73   77.441  1084.08  106.699   35.821   1.1137   33.176   1.6568 2.644688 1.996299 
1 1 1    1   59   11 o   14.373   2.0805  192.355   55.585  131.683   67.947  315.113   96.650   11.150   3.0508   17.596   2.8296 -6.445720 4.160966 
1 1 1    1   59   12 o   9.0609   2.3192   72.920   48.024   73.767   55.610   70.434   95.251   8.6409   2.8535   9.4810   3.6568 -0.8400230 4.638386 
1 1 1    1   59   13 o   22.799   1.4721  493.528   63.095  421.256   78.196  628.384  106.815   20.565   1.9588   25.034   2.1980 -4.469084 2.944208 
1 1 1    1   59   14 o   13.653   2.2810  193.817   57.641  169.328   71.641  238.769   97.065   12.549   2.9844   14.756   3.4503 -2.206538 4.561982 
1 1 1    1   59   15 o   6.2877   2.0373 -56.5011   58.946  -1.8254   74.716 -146.6325   95.930   6.8855   2.9947   5.6900   2.7629 1.195512 4.074537 
1 1 1    1   59   16 o   6.2105   2.0514 -66.4955   60.987 -39.4684   78.032 -108.9192   97.764   6.2687   2.8660   6.1522   2.9358 0.1164827 4.102793 
1 1 1    1   59   17 o   32.373   1.1859  1062.31   72.127  1110.58   92.508  987.480  115.186   33.458   1.4243   31.288   1.8965 2.169775 2.371807 
1 1 1    1   59   18 f   6.5620   2.1592 -55.5772   64.774 -49.8264   81.936 -65.1601  105.769   6.1996   2.8711   6.9245   3.2256 -0.7249599 4.318316 
1 1 1    1   60    0 o   46.577   0.9718  2112.33   87.864  2112.33   87.864   0.0000   0.0000   46.577   0.9718  ?   ?       ?      ? 
1 1 1    1   60    1 o   25.266   4.8418  957.442   71.343  964.706   71.410 -2883.6189  1642.12   31.454   1.1696   19.079   9.6127 12.37424 9.683583 
1 1 1    1   60    2 o   41.439   1.0090  1672.53   81.162  1672.53   81.162   0.0000   0.0000   41.439   1.0090  ?   ?       ?      ? 
1 1 1    1   60    3 o   25.817   5.6959  825.245   71.611  828.520   71.648 -2363.6951  2235.72   29.134   1.2669   22.501   11.321 6.632975 11.39180 
1 1 1    1   60    4 o   13.504   2.5549  186.882   64.521  186.882   64.521   0.0000   0.0000   13.504   2.5549  ?   ?       ?      ? 
1 1 1    1   60    5 o   14.715   2.2412  214.395   64.021  214.395   64.021   0.0000   0.0000   14.715   2.2412  ?   ?       ?      ? 
1 1 1    1   60    6 o   14.826   2.3118  218.335   66.534  218.335   66.534   0.0000   0.0000   14.826   2.3118  ?   ?       ?      ? 
1 1 1    1   60    7 o   8.8813   2.3653   56.507   53.310   39.289   65.564   90.097   91.575   7.7241   3.0186   10.038   3.6424 -2.314357 4.730612 
1 1 1    1   60    8 o   25.286   1.2565  642.706   58.385  670.952   72.754  591.611   97.853   26.153   1.4331   24.420   2.0643 1.733217 2.512962 
1 1 1    1   60    9 o   11.856   2.2877  126.993   54.939   69.401   67.620  238.838   94.233   8.7578   3.1361   14.955   3.3314 -6.197030 4.575317 
1 1 1    1   60   10 o   36.807   0.9433  1289.25   61.948  1231.20   73.486  1431.82  115.163   35.491   1.0667   38.122   1.5562 -2.631588 1.886676 
1 1 1    1   60   11 o   12.370   2.4423  157.302   57.866  142.467   70.117  188.986  102.470   11.568   3.0711   13.172   3.7984 -1.603825 4.884649 
1 1 1    1   60   12 o   7.4586   2.2429   11.767   51.108   6.5204   59.781   26.017   98.518   6.4539   2.7404   8.4632   3.5515 -2.009364 4.485866 
1 1 1    1   60   13 o   16.662   2.0549  281.302   61.314  261.473   74.470  323.033  108.033   16.056   2.3893   17.267   3.3438 -1.211540 4.109751 
1 1 1    1   60   14 o   11.779   2.3801  158.880   62.186  216.372   79.554   68.568   99.708   14.167   2.9870   9.3909   3.7065 4.775657 4.760252 
1 1 1    1   60   15 o   10.294   2.5797  108.528   63.883  108.000   83.085  109.292   99.913   10.165   3.4889   10.423   3.8011 -0.2578793 5.159482 
1 1 1    1   60   16 o   17.381   2.0966  324.834   67.134  325.693   86.025  323.496  107.367   17.731   2.4994   17.031   3.3669 0.6994286 4.193210 
1 1 1    1   60   17 o   8.1754   2.4561   29.336   67.313   37.501   86.939   17.115  106.360   8.0990   3.3624   8.2518   3.5810 -0.1528292 4.912177 
1 1 1    1   61    0 o   23.315   1.4702  532.316   66.537  532.316   66.537   0.0000   0.0000   23.315   1.4702  ?   ?       ?      ? 
1 1 1    1   61    1 o   10.184   2.9976  106.467   63.235  106.467   63.235   0.0000   0.0000   10.184   2.9976  ?   ?       ?      ? 
1 1 1    1   61    2 o   32.172   1.1835  1010.67   73.913  1010.67   73.913   0.0000   0.0000   32.172   1.1835  ?   ?       ?      ? 
1 1 1    1   61    3 o   4.8318   2.3207 -89.4659   63.281 -89.4659   63.281   0.0000   0.0000   4.8318   2.3207  ?   ?       ?      ? 
1 1 1    1   61    4 o   37.990   1.0439  1408.01   76.982  1408.01   76.982   0.0000   0.0000   37.990   1.0439  ?   ?       ?      ? 
1 1 1    1   61    5 o   36.915   1.0836  1330.34   77.648  1330.34   77.648   0.0000   0.0000   36.915   1.0836  ?   ?       ?      ? 
1 1 1    1   61    6 o   28.090   1.2941  772.594   70.564  772.594   70.564   0.0000   0.0000   28.090   1.2941  ?   ?       ?      ? 
1 1 1    1   61    7 o   13.259   2.2561  179.770   54.174  166.956   65.205  208.327   97.344   12.624   2.7395   13.894   3.5853 -1.269499 4.512117 
1 1 1    1   61    8 o   11.792   2.9777  147.580   68.176  147.580   68.176   0.0000   0.0000   11.792   2.9777  ?   ?       ?      ? 
1 1 1    1   61    9 o   14.960   2.0907  206.399   57.256  146.050   69.131  338.220  102.172   11.720   3.0198   18.199   2.8922 -6.478321 4.181368 
1 1 1    1   61   10 o   8.1236   2.3026   39.560   55.663   63.868   68.382  -8.1749   95.828   8.5526   3.1407   7.6946   3.3680 0.8580647 4.605162 
1 1 1    1   61   11 o   8.8608   2.3258   69.690   53.909   94.258   63.884   8.9227  100.470   9.5600   3.0511   8.1616   3.5111 1.398369 4.651585 
1 1 1    1   61   12 o   29.051   1.1848  849.000   56.983  860.027   65.635  815.248  114.832   29.612   1.1418   28.490   2.0763 1.121367 2.369598 
1 1 1    1   61   13 o   28.624   1.2040  838.234   55.084  857.190   62.698  774.096  115.328   29.563   1.0925   27.685   2.1460 1.878025 2.408086 
1 1 1    1   61   14 o   17.426   2.0021  311.027   65.247  252.485   84.521  397.366  102.645   15.294   2.9538   19.559   2.7035 -4.264221 4.004278 
1 1 1    1   61   15 o   12.162   2.5223  172.559   66.974  222.684   87.782  102.736  103.604   14.119   3.2676   10.205   3.8432 3.913305 5.044501 
1 1 1    1   61   16 o   25.041   1.4931  650.872   70.206  685.182   90.322  598.500  111.591   26.070   1.7848   24.011   2.3942 2.059452 2.986191 
1 1 1    1   62    0 o   7.7145   3.0070   40.046   64.930   40.046   64.930   0.0000   0.0000   7.7145   3.0070  ?   ?       ?      ? 
1 1 1    1   62    1 o   11.639   2.8166  142.019   62.949  142.019   62.949   0.0000   0.0000   11.639   2.8166  ?   ?       ?      ? 
1 1 1    1   62    2 o   13.094   2.6211  177.941   64.297  177.941   64.297   0.0000   0.0000   13.094   2.6211  ?   ?       ?      ? 
1 1 1    1   62    3 o   26.840   1.3187  705.737   68.706  705.737   68.706   0.0000   0.0000   26.840   1.3187  ?   ?       ?      ? 
1 1 1    1   62    4 o   23.458   1.5095  540.923   68.736  540.923   68.736   0.0000   0.0000   23.458   1.5095  ?   ?       ?      ? 
1 1 1    1   62    5 o   5.0311   2.3952 -77.8691   64.287 -77.8691   64.287   0.0000   0.0000   5.0311   2.3952  ?   ?       ?      ? 
1 1 1    1   62    6 f   11.814   2.8881  147.779   65.676  147.779   65.676   0.0000   0.0000   11.814   2.8881  ?   ?       ?      ? 
1 1 1    1   62    7 o   27.196   1.2119  715.067   59.882  687.081   72.238  776.537  107.061   26.444   1.4073   27.948   1.9734 -1.504646 2.423764 
1 1 1    1   62    8 o   7.2018   2.0705  -9.8680   56.220   74.921   67.606 -199.9561  101.226   8.9251   3.1422   5.4786   2.6971 3.446534 4.140954 
1 1 1    1   62    9 o   17.082   2.0132  325.505   56.712  355.457   67.606  254.376  104.183   18.914   1.8413   15.249   3.5807 3.665126 4.026392 
1 1 1    1   62   10 o   7.3733   2.2477   7.5734   56.518   29.290   67.019 -45.8999  105.166   7.3826   2.9960   7.3641   3.3514 0.1844263E-01 4.495357 
1 1 1    1   62   11 o   8.4965   2.3925   31.366   55.881   1.1744   66.588  103.264  102.757   6.6047   2.8498   10.388   3.8439 -3.783776 4.785096 
1 1 1    1   62   12 o   10.652   2.4358  108.466   50.387   95.220   57.301  153.634  105.810   9.4798   2.8686   11.824   3.9376 -2.343801 4.871692 
1 1 1    1   62   13 o   7.3488   2.0801   9.8146   55.174   81.705   64.097 -195.8086  108.402   8.9717   3.0646   5.7259   2.8134 3.245822 4.160152 
1 1 1    1   62   14 o   8.6374   2.4533   23.508   65.875 -41.3187   84.537  123.733  105.113   6.4862   2.9720   10.789   3.9042 -4.302454 4.906632 
1 1 1    1   62   15 o   18.671   2.0816  400.653   67.710  467.823   86.404  293.761  108.997   21.399   2.0800   15.943   3.6063 5.456315 4.163130 
1 1 1    1   63    0 o   18.007   1.9000  321.617   66.412  321.617   66.412   0.0000   0.0000   18.007   1.9000  ?   ?       ?      ? 
1 1 1    1   63    1 o   22.324   1.5480  490.811   67.083  490.811   67.083   0.0000   0.0000   22.324   1.5480  ?   ?       ?      ? 
1 1 1    1   63    2 o   30.893   1.2119  934.696   72.678  934.696   72.678   0.0000   0.0000   30.893   1.2119  ?   ?       ?      ? 
1 1 1    1   63    3 o   10.761   3.0454  122.320   66.477  122.320   66.477   0.0000   0.0000   10.761   3.0454  ?   ?       ?      ? 
1 1 1    1   63    4 o   14.982   2.4262  225.860   70.562  225.860   70.562   0.0000   0.0000   14.982   2.4262  ?   ?       ?      ? 
1 1 1    1   63    5 o   31.452   1.2396  969.394   75.680  969.394   75.680   0.0000   0.0000   31.452   1.2396  ?   ?       ?      ? 
1 1 1    1   63    6 o   11.933   2.9907  151.659   69.140  151.659   69.140   0.0000   0.0000   11.933   2.9907  ?   ?       ?      ? 
1 1 1    1   63    7 o   8.4991   3.1853   60.584   71.006   60.584   71.006   0.0000   0.0000   8.4991   3.1853  ?   ?       ?      ? 
1 1 1    1   63    8 o   35.607   1.0637  1279.11   67.486  1325.49   81.639  1179.02  119.926   36.775   1.1436   34.440   1.7939 2.335136 2.127401 
1 1 1    1   63    9 o   16.753   2.0379  278.885   59.358  256.104   70.150  336.311  111.380   15.916   2.2705   17.590   3.3848 -1.673948 4.075774 
1 1 1    1   63   10 o   8.9809   2.4547   56.724   56.222   38.482   66.665  101.660  104.627   7.6073   3.0217   10.354   3.8693 -2.747150 4.909459 
1 1 1    1   63   11 o   12.774   2.1621  202.859   58.667  275.088   71.532   54.447  102.536   16.459   2.2389   9.0903   3.6995 7.368329 4.324243 
1 1 1    1   63   12 o   8.9476   2.4116   69.280   52.172   70.034   59.595   66.809  107.946   8.4373   2.9514   9.4579   3.8149 -1.020634 4.823277 
1 1 1    1   63   13 o   12.455   2.4783  166.739   55.916  157.783   63.965  195.761  115.142   12.026   2.7934   12.884   4.0945 -0.8578854 4.956676 
1 1 1    1   63   14 o   14.320   2.2350  238.234   54.371  250.599   62.708  200.785  109.132   15.667   2.0619   12.972   3.9661 2.695145 4.470044 
1 1 1    1   64    0 o   28.311   1.3154  786.531   72.290  786.531   72.290   0.0000   0.0000   28.311   1.3154  ?   ?       ?      ? 
1 1 1    1   64    1 o   10.105   3.0476  106.635   64.755  106.635   64.755   0.0000   0.0000   10.105   3.0476  ?   ?       ?      ? 
1 1 1    1   64    2 o   7.0872   2.9461   17.512   66.864   17.512   66.864   0.0000   0.0000   7.0872   2.9461  ?   ?       ?      ? 
1 1 1    1   64    3 o   14.799   2.4470  221.062   70.295  221.062   70.295   0.0000   0.0000   14.799   2.4470  ?   ?       ?      ? 
1 1 1    1   64    4 f   22.684   1.6081  508.385   70.812  508.385   70.812   0.0000   0.0000   22.684   1.6081  ?   ?       ?      ? 
1 1 1    1   64    5 o   14.923   2.3300  224.670   67.498  224.670   67.498   0.0000   0.0000   14.923   2.3300  ?   ?       ?      ? 
1 1 1    1   64    6 o   14.202   2.5681  211.003   68.194  211.003   68.194   0.0000   0.0000   14.202   2.5681  ?   ?       ?      ? 
1 1 1    1   64    7 o   14.137   2.5312  209.191   66.910  209.191   66.910   0.0000   0.0000   14.137   2.5312  ?   ?       ?      ? 
1 1 1    1   64    8 o   21.545   1.6180  475.509   60.071  481.923   70.752  458.943  113.700   22.027   1.6547   21.062   2.7809 0.9652596 3.235980 
1 1 1    1   64    9 o   12.972   2.2718  193.995   57.711  225.621   70.698  130.830   99.913   14.850   2.4525   11.093   3.8248 3.756501 4.543602 
1 1 1    1   64   10 o   10.878   2.5588  119.922   59.399  104.143   71.227  155.958  107.637   9.9092   3.2273   11.848   3.9717 -1.938474 5.117648 
1 1 1    1   64   11 o   14.341   2.3435  208.841   58.270  182.281   67.869  283.323  113.652   12.985   2.7766   15.696   3.7761 -2.710804 4.687005 
1 1 1    1   64   12 o   8.3645   2.3365   57.313   53.081   70.807   61.117   15.880  107.094   8.4422   2.9859   8.2867   3.5947 0.1554928 4.673073 
1 1 1    1   64   13 o   19.486   1.8297  416.768   55.685  431.659   64.151  371.254  112.156   20.769   1.5912   18.203   3.2954 2.566689 3.659450 
1 1 1    1   65    0 o   15.879   2.2314  253.850   68.780  253.850   68.780   0.0000   0.0000   15.879   2.2314  ?   ?       ?      ? 
1 1 1    1   65    1 o   10.535   3.1367  118.105   68.921  118.105   68.921   0.0000   0.0000   10.535   3.1367  ?   ?       ?      ? 
1 1 1    1   65    2 o   16.561   2.3040  277.006   74.070  277.006   74.070   0.0000   0.0000   16.561   2.3040  ?   ?       ?      ? 
1 1 1    1   65    3 o   12.075   3.0472  157.290   71.424  157.290   71.424   0.0000   0.0000   12.075   3.0472  ?   ?       ?      ? 
1 1 1    1   65    4 o   35.438   1.1305  1231.44   77.769  1231.44   77.769   0.0000   0.0000   35.438   1.1305  ?   ?       ?      ? 
1 1 1    1   65    5 o   8.0511   3.0961   50.950   68.127   50.950   68.127   0.0000   0.0000   8.0511   3.0961  ?   ?       ?      ? 
1 1 1    1   65    6 o   12.722   2.9529  174.816   71.517  174.816   71.517   0.0000   0.0000   12.722   2.9529  ?   ?       ?      ? 
1 1 1    1   65    7 o   36.093   1.1848  1280.37   83.009  1280.37   83.009   0.0000   0.0000   36.093   1.1848  ?   ?       ?      ? 
1 1 1    1   65    8 o   29.832   1.2346  897.020   66.007  911.419   79.818  865.870  117.401   30.382   1.3534   29.283   2.0653 1.098587 2.469271 
1 1 1    1   65    9 o   20.773   1.7498  442.711   60.957  440.919   70.498  448.018  121.345   20.999   1.7294   20.546   3.0424 0.4527798 3.499606 
1 1 1    1   65   10 o   16.197   2.2214  323.744   60.310  373.351   71.696  203.690  111.535   19.229   1.9208   13.166   4.0062 6.062891 4.442865 
1 1 1    1   65   11 o   15.102   2.3040  253.390   62.125  253.625   74.525  252.854  112.470   15.610   2.4594   14.594   3.8969 1.016584 4.608061 
1 1 1    1   66    0 o   30.253   1.3100  901.297   76.930  901.297   76.930   0.0000   0.0000   30.253   1.3100  ?   ?       ?      ? 
1 1 1    1   66    1 o   16.952   2.1255  289.706   69.941  289.706   69.941   0.0000   0.0000   16.952   2.1255  ?   ?       ?      ? 
1 1 1    1   66    2 o   5.9957   2.7189 -30.6969   68.429 -30.6969   68.429   0.0000   0.0000   5.9957   2.7189  ?   ?       ?      ? 
1 1 1    1   66    3 o   22.615   1.6828  508.770   73.875  508.770   73.875   0.0000   0.0000   22.615   1.6828  ?   ?       ?      ? 
1 1 1    1   66    4 o   10.083   3.2092  108.099   70.712  108.099   70.712   0.0000   0.0000   10.083   3.2092  ?   ?       ?      ? 
1 1 1    1   66    5 o   9.1622   3.1945   83.818   69.789   83.818   69.789   0.0000   0.0000   9.1622   3.1945  ?   ?       ?      ? 
1 1 1    1   66    6 o   15.493   2.3997  245.914   72.169  245.914   72.169   0.0000   0.0000   15.493   2.3997  ?   ?       ?      ? 
1 1 1    1   66    7 o   10.342   3.2650  116.094   73.304  116.094   73.304   0.0000   0.0000   10.342   3.2650  ?   ?       ?      ? 
1 1 1    1   66    8 o   7.9136   3.1462   45.221   72.331   45.221   72.331   0.0000   0.0000   7.9136   3.1462  ?   ?       ?      ? 
1 1 1    1   66    9 o   13.993   2.4340  207.952   60.549  185.808   71.205  265.772  115.059   13.001   2.8958   14.985   3.9131 -1.983972 4.868042 
1 1 1    1   66   10 o   11.697   2.5365  156.518   59.812  158.979   70.407  150.135  113.373   11.926   3.0340   11.468   4.0656 0.4582233 5.072927 
1 1 1    1   67    0 o   6.2497   2.7974 -20.2578   69.819 -20.2578   69.819   0.0000   0.0000   6.2497   2.7974  ?   ?       ?      ? 
1 1 1    1   67    1 o   18.324   1.9397  337.615   68.997  337.615   68.997   0.0000   0.0000   18.324   1.9397  ?   ?       ?      ? 
1 1 1    1   67    2 o   16.157   2.2075  265.310   69.234  265.310   69.234   0.0000   0.0000   16.157   2.2075  ?   ?       ?      ? 
1 1 1    1   67    3 o   8.6833   3.1508   71.568   68.528   71.568   68.528   0.0000   0.0000   8.6833   3.1508  ?   ?       ?      ? 
1 1 1    1   67    4 o   9.3823   3.2378   90.321   71.606   90.321   71.606   0.0000   0.0000   9.3823   3.2378  ?   ?       ?      ? 
1 1 1    1   67    5 o   10.439   3.1857  119.362   70.451  119.362   70.451   0.0000   0.0000   10.439   3.1857  ?   ?       ?      ? 
1 1 1    1   67    6 o   18.761   1.9520  356.046   71.090  356.046   71.090   0.0000   0.0000   18.761   1.9520  ?   ?       ?      ? 
1 1 1    1   67    7 f   30.867   1.3331  944.060   79.879  944.060   79.879   0.0000   0.0000   30.867   1.3331  ?   ?       ?      ? 
1 1 1    1   67    8 o   9.0277   3.1763   83.991   69.072   83.991   69.072   0.0000   0.0000   9.0277   3.1763  ?   ?       ?      ? 
1 1 1    1   68    0 o   16.942   2.1799  293.017   71.690  293.017   71.690   0.0000   0.0000   16.942   2.1799  ?   ?       ?      ? 
1 1 1    1   68    1 o   23.744   1.6024  562.612   73.856  562.612   73.856   0.0000   0.0000   23.744   1.6024  ?   ?       ?      ? 
1 1 1    1   68    2 o   6.9482   2.9158   18.334   66.411   18.334   66.411   0.0000   0.0000   6.9482   2.9158  ?   ?       ?      ? 
1 1 1    1   68    3 o   17.592   2.0444  314.711   69.817  314.711   69.817   0.0000   0.0000   17.592   2.0444  ?   ?       ?      ? 
1 1 1    1   68    4 o   25.279   1.5077  636.841   73.984  636.841   73.984   0.0000   0.0000   25.279   1.5077  ?   ?       ?      ? 
1 1 1    1   68    5 o   9.3675   3.2492   92.290   72.154   92.290   72.154   0.0000   0.0000   9.3675   3.2492  ?   ?       ?      ? 
1 1 1    1   68    6 o   15.871   2.4649  262.683   75.941  262.683   75.941   0.0000   0.0000   15.871   2.4649  ?   ?       ?      ? 
1 1 1    1   69    0 o   6.7410   2.9096   6.3028   69.464   6.3028   69.464   0.0000   0.0000   6.7410   2.9096  ?   ?       ?      ? 
1 1 1    1   69    1 o   9.7241   3.2143  102.736   70.559  102.736   70.559   0.0000   0.0000   9.7241   3.2143  ?   ?       ?      ? 
1 1 1    1   69    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    0 o   66.560   2.2470  4331.12  288.807  4359.34  410.465  4303.45  406.435   66.775   3.1831   66.345   3.1724 -0.000000 0.000000 
1 1 1    2    0    1 o   86.961   0.9177  7348.43  154.223  7381.76  209.293  7308.83  228.132   87.180   1.2373   86.742   1.3556 -0.000000 0.000000 
1 1 1    2    0    2 o  296.246   2.1326 84426.51  1144.21 87510.73  2038.97 83008.80  1382.40  300.119   3.5009  292.372   2.4361 -0.000000 0.000000 
1 1 1    2    0    3 o  117.927   1.2504 13466.60  273.415 13366.55  339.259 13651.99  461.827  117.318   1.4903  118.537   2.0084 -0.000000 0.000000 
1 1 1    2    0    4 o  100.746   0.9762  9856.88  190.814 10009.21  270.816  9706.70  268.899  101.520   1.3748   99.973   1.3862 -0.000000 0.000000 
1 1 1    2    0    5 o  151.439   1.4572 22175.46  408.816 22604.32  692.894 21946.45  506.339  152.543   2.3412  150.335   1.7356 -0.000000 0.000000 
1 1 1    2    0    6 o   58.253   2.1659  3406.81  228.740  3595.23  284.210  3060.32  385.402   60.711   2.4203   55.795   3.5926 -0.000000 0.000000 
1 1 1    2    0    7 o   85.456   0.8879  7090.32  147.190  6954.73  205.495  7233.17  210.927   84.617   1.2517   86.295   1.2598 -0.000000 0.000000 
1 1 1    2    0    8 o  427.367   1.9494 177367.20  1616.63 175664.09  2255.65 179165.91  2318.15  425.261   2.7327  429.473   2.7809 -0.000000 0.000000 
1 1 1    2    0    9 o  176.690   1.3480 30319.78  462.224 30388.32  653.780 30251.28  653.588  176.890   1.9045  176.490   1.9082 -0.000000 0.000000 
1 1 1    2    0   10 o   85.922   0.9474  7167.91  157.890  7316.92  226.615  7027.34  220.109   86.790   1.3458   85.055   1.3339 -0.000000 0.000000 
1 1 1    2    0   11 o  227.587   1.5186 50285.88  670.698 49709.29  940.415 50882.76  956.818  226.259   2.1416  228.914   2.1537 -0.000000 0.000000 
1 1 1    2    0   12 o  191.390   1.4376 35564.08  533.919 35226.53  748.185 35914.35  762.160  190.465   2.0241  192.316   2.0421 -0.000000 0.000000 
1 1 1    2    0   13 o  116.470   1.1410 13175.03  257.844 13145.26  363.915 13205.04  365.382  116.338   1.6121  116.602   1.6150 -0.000000 0.000000 
1 1 1    2    0   14 o   94.241   1.0126  8626.45  185.139  8573.86  260.819  8679.85  262.844   93.951   1.4309   94.530   1.4331 -0.000000 0.000000 
1 1 1    2    0   15 o   29.746   1.0334  871.437   58.815  927.411   79.854  805.070   86.952   30.823   1.3404   28.670   1.5732 -0.000000 0.000000 
1 1 1    2    0   16 o   55.528   0.8674  2997.71   93.356  3102.41  132.358  2894.06  131.696   56.496   1.2081   54.560   1.2449 -0.000000 0.000000 
1 1 1    2    0   17 o   80.624   0.9902  6316.77  154.846  6400.48  218.060  6231.62  219.923   81.164   1.3849   80.084   1.4157 -0.000000 0.000000 
1 1 1    2    0   18 o   91.743   2.2681  8212.28  402.582  8509.20  568.824  7914.29  569.850   93.420   3.1448   90.066   3.2691 -0.000000 0.000000 
1 1 1    2    0   19 o   74.850   0.9734  5440.49  141.241  5698.39  202.571  5196.49  197.033   76.577   1.3637   73.122   1.3892 -0.000000 0.000000 
1 1 1    2    0   20 o   40.966   0.9679  1634.90   76.775  1628.63  108.501  1641.19  108.650   40.887   1.3705   41.045   1.3671 -0.000000 0.000000 
1 1 1    2    0   21 f  138.236   1.3893 18561.47  372.506 19210.98  534.813 17949.47  519.141  140.585   1.9606  135.887   1.9690 -0.000000 0.000000 
1 1 1    2    0   22 f  115.315   1.4671 12933.13  328.154 12986.48  467.032 12881.10  461.182  115.549   2.0837  115.081   2.0660 -0.000000 0.000000 
1 1 1    2    0   23 o  110.658   1.3185 11903.76  282.984 12125.88  405.196 11692.26  395.385  111.666   1.8705  109.650   1.8588 -0.000000 0.000000 
1 1 1    2    0   24 o  110.900   1.4341 11966.45  308.474 11997.35  438.784 11936.25  433.756  111.041   2.0372  110.760   2.0189 -0.000000 0.000000 
1 1 1    2    0   25 o  129.351   1.6409 16294.38  411.707 16361.48  585.494 16228.74  579.042  129.613   2.3288  129.089   2.3124 -0.000000 0.000000 
1 1 1    2    0   26 o   48.240   1.1208  2268.77  104.631  2161.18  146.844  2379.74  149.124   47.071   1.6114   49.410   1.5583 -0.000000 0.000000 
1 1 1    2    0   27 o  117.183   1.5195 13347.89  344.923 14005.31  503.962 12768.55  473.089  119.890   2.1671  114.476   2.1306 -0.000000 0.000000 
1 1 1    2    0   28 o   28.566   1.7022  813.052   92.481  898.635  132.308  731.292  129.319   30.100   2.2951   27.031   2.5145 -0.000000 0.000000 
1 1 1    2    0   29 o   10.074   3.5406  148.070   84.742  122.943  118.930  173.985  120.778   9.2249   4.9079   10.924   5.1044 -0.000000 0.000000 
1 1 1    2    0   30 o   6.3640   2.8688 -12.0444   84.065 -102.0707  122.621   67.790  115.472   5.0974   3.5388   7.6307   4.5163 -0.000000 0.000000 
1 1 1    2    0   31 o   46.997   1.2021  2168.86  109.266  2115.85  156.084  2219.81  153.014   46.419   1.7377   47.574   1.6615 -0.000000 0.000000 
1 1 1    2    0   32 o   48.308   1.1929  2291.75  111.320  2319.03  163.226  2268.02  152.211   48.560   1.7366   48.056   1.6360 -0.000000 0.000000 
1 1 1    2    0   33 o   7.2988   3.1679   14.910   93.334  135.294  138.727 -84.6458  126.155   9.3261   5.1838   5.2715   3.6428 -0.000000 0.000000 
1 1 1    2    0   34 o   7.2298   3.1823   34.229   91.041  113.151  140.867 -22.3818  119.306   8.6626   5.0523   5.7971   3.8708 -0.000000 0.000000 
1 1 1    2    1    0 o  247.182   1.6653 59328.83  799.028 59939.99  1136.07 58730.57  1124.01  248.441   2.3557  245.922   2.3546 2.519150 3.330643 
1 1 1    2    1    1 o  229.320   1.3553 51059.07  603.336 51093.83  853.007 51024.26  853.484  229.399   1.9156  229.242   1.9179 0.1563263 2.710699 
1 1 1    2    1    2 o  142.572   0.9188 19656.09  250.982 20193.94  389.939 19275.67  327.942  144.229   1.3928  140.915   1.1989 3.313873 1.837695 
1 1 1    2    1    3 o  232.005   1.1901 52256.03  535.969 52075.60  756.358 52438.01  759.603  231.603   1.6824  232.407   1.6837 -0.8044434 2.380182 
1 1 1    2    1    4 o  211.515   1.0444 43299.96  426.121 42339.59  568.656 44529.82  643.516  208.850   1.4027  214.181   1.5478 -5.331421 2.088805 
1 1 1    2    1    5 o   66.838   0.5289  4337.04   68.610  4263.86   97.478  4408.89   96.586   66.279   0.7576   67.397   0.7383 -1.117783 1.057854 
1 1 1    2    1    6 o  145.478   0.9138 20490.48  255.495 20915.21  391.653 20175.83  337.101  146.785   1.3745  144.170   1.2045 2.615540 1.827630 
1 1 1    2    1    7 o  225.240   1.0373 49254.63  453.523 49238.45  640.337 49270.91  642.426  225.203   1.4648  225.277   1.4691 -0.7402039E-01 2.074534 
1 1 1    2    1    8 o   87.058   0.6596  7354.49  111.452  7203.16  155.793  7513.13  159.508   86.141   0.9317   87.975   0.9340 -1.833916 1.319260 
1 1 1    2    1    9 o  218.372   1.0401 46298.02  440.883 46175.43  622.474 46421.44  624.537  218.082   1.4704  218.663   1.4714 -0.5801239 2.080138 
1 1 1    2    1   10 o  327.320   1.2460 104021.00  791.661 103873.20  1118.25 104169.50  1120.91  327.087   1.7612  327.553   1.7629 -0.4661255 2.491908 
1 1 1    2    1   11 o  453.405   1.3757 199606.09  1210.67 201098.80  1702.32 198078.41  1722.13  455.122   1.9269  451.688   1.9641 3.433228 2.751444 
1 1 1    2    1   12 o  452.339   1.4467 198609.30  1270.06 197011.91  1774.84 200285.59  1818.21  450.476   2.0297  454.202   2.0622 -3.725464 2.893468 
1 1 1    2    1   13 o  189.548   1.0235 34875.19  376.581 34561.64  530.310 35194.13  534.850  188.688   1.4478  190.407   1.4470 -1.718735 2.046994 
1 1 1    2    1   14 o  205.281   1.0620 40907.74  423.190 40719.06  597.315 41097.89  599.655  204.806   1.5024  205.756   1.5014 -0.9505310 2.124001 
1 1 1    2    1   15 o  113.381   0.8085 12478.71  177.942 12409.13  251.395 12548.56  251.902  113.064   1.1454  113.698   1.1413 -0.6334915 1.616986 
1 1 1    2    1   16 o  163.013   1.0534 25798.76  333.332 25814.50  470.069 25782.84  472.749  163.063   1.4851  162.962   1.4944 0.1002960 2.106828 
1 1 1    2    1   17 o  130.013   1.1385 16399.90  287.210 15970.78  398.968 16861.51  413.792  128.249   1.6026  131.776   1.6176 -3.527313 2.277054 
1 1 1    2    1   18 o  217.121   1.2787 45870.23  536.780 46765.89  731.460 44824.98  790.179  219.430   1.7172  214.812   1.8950 4.618057 2.557307 
1 1 1    2    1   19 o   81.254   0.7044  6409.12  111.103  6464.42  157.987  6355.00  156.274   81.600   0.9974   80.907   0.9950 0.6935120 1.408855 
1 1 1    2    1   20 o  103.248   0.8345 10352.06  167.239 10361.38  238.074 10342.99  234.979  103.294   1.1873  103.202   1.1729 0.9104156E-01 1.668993 
1 1 1    2    1   21 o  207.713   1.1524 41926.67  464.637 41936.48  656.834 41916.86  657.357  207.737   1.6288  207.688   1.6305 0.4885864E-01 2.304705 
1 1 1    2    1   22 o   55.489   0.6714  2989.95   72.315  3029.07  102.418  2951.06  102.120   55.851   0.9447   55.127   0.9543 0.7241631 1.342784 
1 1 1    2    1   23 o   84.138   0.7859  6877.10  128.322  6845.27  183.550  6907.54  179.467   83.947   1.1264   84.330   1.0963 -0.3827133 1.571830 
1 1 1    2    1   24 o   94.197   0.8956  8621.38  163.752  8680.86  233.238  8563.57  229.958   94.517   1.2712   93.877   1.2619 0.6398697 1.791204 
1 1 1    2    1   25 o   55.996   0.7618  3046.52   82.796  3114.67  117.410  2979.11  116.776   56.619   1.0683   55.372   1.0864 1.246849 1.523643 
1 1 1    2    1   26 o   64.524   0.7764  4046.32   97.250  4066.58  137.700  4026.15  137.365   64.685   1.0966   64.363   1.0994 0.3225327 1.552863 
1 1 1    2    1   27 o   75.759   0.8214  5579.23  120.781  5512.40  169.598  5648.00  172.049   75.299   1.1603   76.219   1.1629 -0.9202347 1.642717 
1 1 1    2    1   28 o  100.252   0.9573  9786.92  186.305  9814.51  263.591  9759.37  263.360  100.394   1.3526  100.111   1.3552 0.2830505 1.914677 
1 1 1    2    1   29 o   49.475   0.8206  2383.67   78.811  2398.50  111.661  2368.95  111.250   49.629   1.1591   49.321   1.1620 0.3071556 1.641226 
1 1 1    2    1   30 o   15.966   2.0358  259.125   61.001  323.613   88.280  200.197   84.389   18.069   2.5168   13.863   3.2006 4.206061 4.071664 
1 1 1    2    1   31 o   17.598   1.8157  310.725   61.934  291.017   87.397  330.606   87.780   17.020   2.6453   18.176   2.4878 -1.156338 3.631371 
1 1 1    2    1   32 o   18.143   1.8006  333.633   63.084  297.085   89.487  369.740   88.945   17.109   2.6944   19.176   2.3894 -2.067457 3.601282 
1 1 1    2    1   33 o   19.201   1.7706  376.531   65.992  372.224   93.007  380.898   93.648   19.088   2.5102   19.313   2.4979 -0.2258453 3.541230 
1 1 1    2    1   34 o   20.519   1.6920  432.773   67.348  454.633   97.143  412.543   93.452   21.023   2.3804   20.014   2.4053 1.008707 3.384074 
1 1 1    2    2    0 o  159.367   1.4434 24928.35  417.690 25437.95  510.438 23895.50  726.679  161.871   1.6245  156.863   2.3865 5.007339 2.886885 
1 1 1    2    2    1 o  161.302   1.4747 25264.66  452.641 25257.43  714.587 25269.50  584.958  161.276   2.2826  161.328   1.8679 -0.5175781E-01 2.949414 
1 1 1    2    2    2 o   94.251   0.6618  8611.14  120.891  8821.95  176.773  8425.93  165.694   95.333   0.9552   93.169   0.9162 2.164040 1.323554 
1 1 1    2    2    3 o  117.831   0.8144 13469.63  184.780 13417.36  245.925 13537.40  280.020  117.569   1.0776  118.092   1.2215 -0.5231018 1.628883 
1 1 1    2    2    4 o  298.705   1.2400 86604.06  718.967 87383.44  1024.47 85847.67  1009.24  300.029   1.7590  297.381   1.7483 2.647888 2.480067 
1 1 1    2    2    5 o   50.442   0.4273  2469.35   41.836  2446.38   58.802  2492.89   59.534   50.204   0.6034   50.679   0.6052 -0.4750633 0.8545662 
1 1 1    2    2    6 o  150.178   0.8686 21892.50  253.207 22028.28  358.597 21757.48  357.583  150.643   1.2263  149.714   1.2304 0.9288483 1.737154 
1 1 1    2    2    7 o  171.481   1.0492 28548.77  349.265 28448.23  492.875 28650.17  495.003  171.178   1.4833  171.784   1.4844 -0.6064301 2.098490 
1 1 1    2    2    8 o  211.297   1.0225 43348.71  419.373 43288.37  592.169 43409.43  594.000  211.149   1.4447  211.444   1.4472 -0.2949066 2.044908 
1 1 1    2    2    9 o   63.413   0.5275  3903.21   64.928  3912.55   91.738  3893.84   91.907   63.488   0.7444   63.337   0.7475 0.1519279 1.054935 
1 1 1    2    2   10 o  277.461   1.1345 74739.11  611.053 74488.14  862.033 74992.56  866.302  276.993   1.6032  277.929   1.6057 -0.9361877 2.269058 
1 1 1    2    2   11 f  138.005   0.8734 18484.00  233.967 18146.05  328.480 18832.01  333.333  136.725   1.2376  139.286   1.2328 -2.560349 1.746897 
1 1 1    2    2   12 o  317.895   1.2371 98053.32  761.973 97298.30  1044.39 98912.61  1114.17  316.589   1.6994  319.201   1.7981 -2.612000 2.474144 
1 1 1    2    2   13 o  268.565   1.1532 70018.27  601.175 70545.23  852.513 69497.02  847.886  269.571   1.6292  267.560   1.6325 2.010315 2.306335 
1 1 1    2    2   14 o  230.957   1.1035 51782.86  494.720 52040.45  699.701 51525.36  699.578  231.532   1.5568  230.383   1.5643 1.148895 2.206968 
1 1 1    2    2   15 o  197.934   1.0537 38031.20  404.831 37717.22  569.677 38351.51  575.401  197.109   1.4889  198.760   1.4913 -1.650421 2.107329 
1 1 1    2    2   16 o  126.256   0.8681 15474.01  212.762 15594.40  302.085 15355.50  299.711  126.744   1.2278  125.769   1.2276 0.9745712 1.736265 
1 1 1    2    2   17 o  169.652   1.0148 27938.37  334.167 28529.11  476.522 27366.78  468.740  171.417   1.4321  167.888   1.4383 3.528458 2.029659 
1 1 1    2    2   18 o  160.120   1.0689 24897.27  332.234 24726.96  468.450 25069.62  471.262  159.570   1.5123  160.671   1.5110 -1.101883 2.137807 
1 1 1    2    2   19 o   84.936   0.7368  7004.06  121.475  7038.23  171.554  6969.70  172.029   85.144   1.0380   84.728   1.0459 0.4156570 1.473554 
1 1 1    2    2   20 o   32.502   0.7754  1025.94   48.912  1015.06   69.522  1036.60   68.827   32.331   1.1077   32.673   1.0852 -0.3416061 1.550710 
1 1 1    2    2   21 o  149.898   1.1178 21832.27  325.232 22026.36  462.160 21641.85  457.768  150.558   1.5813  149.238   1.5802 1.319809 2.235511 
1 1 1    2    2   22 o   93.622   0.7900  8512.92  143.574  8547.96  203.312  8478.06  202.776   93.814   1.1164   93.430   1.1181 0.3844376 1.580026 
1 1 1    2    2   23 o   40.990   0.7532  1630.33   59.900  1582.46   83.058  1682.22   86.467   40.364   1.0600   41.617   1.0703 -1.252659 1.506412 
1 1 1    2    2   24 o   49.293   0.9336  2296.90   82.159  2524.60  152.368  2203.56   97.557   50.957   1.5404   47.629   1.0552 3.328453 1.867112 
1 1 1    2    2   25 o   55.611   0.7539  3002.56   81.331  2853.92  113.496  3159.47  116.605   54.196   1.0788   57.025   1.0534 -2.828922 1.507788 
1 1 1    2    2   26 o   14.186   2.0572  205.834   57.825  343.874   83.418   78.147   80.229   18.768   2.2897   9.6041   3.4185 9.163762 4.114450 
1 1 1    2    2   27 o   60.033   0.7935  3502.20   92.434  3458.48  128.708  3548.77  132.834   59.647   1.1116   60.419   1.1326 -0.7717514 1.586954 
1 1 1    2    2   28 o   34.236   0.9972  1141.82   66.253  1106.25   93.500  1177.68   93.893   33.699   1.4293   34.773   1.3910 -1.074223 1.994460 
1 1 1    2    2   29 o   65.927   0.7976  4230.33  102.050  4123.03  142.842  4342.18  145.846   65.073   1.1308   66.781   1.1251 -1.708115 1.595142 
1 1 1    2    2   30 f   32.503   1.0753  1035.05   67.688  957.232   95.890  1112.34   95.563   31.274   1.5795   33.733   1.4594 -2.459208 2.150511 
1 1 1    2    2   31 o   45.875   0.8675  2058.01   77.249  2066.26  109.619  2049.88  108.878   45.966   1.2285   45.784   1.2251 0.1815910 1.734959 
1 1 1    2    2   32 o   52.504   0.8240  2698.63   83.977  2683.17  119.166  2713.88  118.361   52.352   1.1726   52.656   1.1580 -0.3043709 1.647998 
1 1 1    2    2   33 o   13.607   2.4282  204.954   64.397  227.822   90.323  181.311   91.839   14.430   3.2967   12.785   3.5659 1.644975 4.856319 
1 1 1    2    2   34 o   17.318   2.0504  321.986   66.920  288.189   95.779  354.220   93.539   16.187   3.1615   18.449   2.6119 -2.261482 4.100850 
1 1 1    2    3    0 o   71.958   0.5637  5021.60   78.634  5108.80  114.540  4943.86  108.147   72.548   0.8133   71.368   0.7806 1.180603 1.127335 
1 1 1    2    3    1 o  252.149   1.3740 61711.71  672.407 60659.98  940.268 62812.50  961.957  249.951   1.9379  254.347   1.9483 -4.395615 2.747994 
1 1 1    2    3    2 o  461.093   1.7567 206977.70  1550.91 209564.09  2039.17 203428.59  2388.71  464.543   2.2613  457.643   2.6889 6.900696 3.513358 
1 1 1    2    3    3 f  145.143   0.8347 20446.49  235.147 20190.08  330.427 20709.59  334.710  144.221   1.1803  146.065   1.1805 -1.843674 1.669302 
1 1 1    2    3    4 f  189.528   1.0070 34858.85  368.777 34774.04  497.856 34961.95  548.936  189.274   1.3550  189.783   1.4900 -0.5089569 2.014033 
1 1 1    2    3    5 o  249.753   1.1728 60591.15  567.391 61184.79  779.431 59921.96  827.554  251.056   1.5993  248.449   1.7159 2.607239 2.345686 
1 1 1    2    3    6 o  219.173   1.0777 46647.00  456.308 46479.51  678.649 46785.21  616.459  218.811   1.5978  219.534   1.4466 -0.7223511 2.155314 
1 1 1    2    3    7 o  187.848   0.9730 34256.76  354.800 34499.08  503.734 34018.20  499.815  188.508   1.3766  187.189   1.3755 1.318359 1.946032 
1 1 1    2    3    8 o  107.105   0.8295 11163.96  169.558 10985.96  264.185 11288.64  221.107  106.375   1.2794  107.836   1.0563 -1.460266 1.659080 
1 1 1    2    3    9 f  107.201   0.7515 11144.58  156.082 10980.51  213.541 11332.78  228.705  106.356   1.0343  108.047   1.0904 -1.691620 1.502951 
1 1 1    2    3   10 o  264.659   1.1178 68000.90  574.271 68210.09  813.863 67793.47  810.433  265.065   1.5817  264.254   1.5799 0.8106689 2.235616 
1 1 1    2    3   11 o  183.917   0.9878 32832.02  352.654 33297.15  501.264 32376.17  496.231  185.206   1.3943  182.627   1.3998 2.579376 1.975680 
1 1 1    2    3   12 o   56.984   0.6964  3151.79   77.024  3157.29  109.892  3146.48  107.989   57.033   0.9926   56.935   0.9771 0.9764862E-01 1.392821 
1 1 1    2    3   13 o  309.305   1.2036 92874.66  722.670 93289.32  1024.94 92464.70  1019.10  309.992   1.7033  308.619   1.7011 1.373047 2.407258 
1 1 1    2    3   14 o  215.481   1.1317 45103.34  471.533 45395.35  640.367 44757.49  696.914  216.246   1.5255  214.717   1.6720 1.528702 2.263387 
1 1 1    2    3   15 o  145.155   0.9229 20452.09  260.038 20245.17  365.909 20663.22  369.618  144.414   1.3053  145.897   1.3051 -1.483398 1.845802 
1 1 1    2    3   16 o  235.526   1.1957 53837.13  544.422 54116.63  808.404 53605.16  736.472  236.082   1.7640  234.971   1.6146 1.110794 2.391403 
1 1 1    2    3   17 o  210.250   1.4046 43051.01  568.977 43960.13  764.009 41918.93  852.566  212.759   1.8499  207.742   2.1142 5.016479 2.809230 
1 1 1    2    3   18 o  161.521   1.0643 25334.70  333.700 25650.04  473.206 25022.76  470.650  162.521   1.4999  160.521   1.5104 2.000183 2.128669 
1 1 1    2    3   19 o   49.926   0.6382  2419.82   61.847  2415.34   87.590  2424.28   87.342   49.880   0.9046   49.972   0.9004 -0.9232330E-01 1.276330 
1 1 1    2    3   20 o  127.733   0.9343 15843.55  231.487 15921.37  334.417 15771.96  320.755  128.032   1.3456  127.433   1.2967 0.5989380 1.868654 
1 1 1    2    3   21 o   70.305   0.7080  4799.86   96.612  4749.72  136.820  4849.73  136.440   69.938   1.0078   70.671   0.9946 -0.7329178 1.415912 
1 1 1    2    3   22 o   23.591   1.0710  540.797   49.040  529.742   69.075  552.031   69.633   23.347   1.5241   23.834   1.5051 -0.4864807 2.142005 
1 1 1    2    3   23 o   49.762   0.7168  2403.01   69.205  2348.43   95.939  2462.22   99.923   49.174   1.0051   50.350   1.0223 -1.176704 1.433648 
1 1 1    2    3   24 o   80.542   0.8125  6299.90  127.011  6439.00  181.695  6166.99  177.617   81.411   1.1497   79.673   1.1484 1.738037 1.625052 
1 1 1    2    3   25 o   40.027   0.8235  1556.84   63.981  1536.88   90.101  1577.14   90.870   39.768   1.1672   40.285   1.1620 -0.5177612 1.646979 
1 1 1    2    3   26 o   19.428   1.5640  369.192   58.765  332.621   83.053  405.859   83.161   18.457   2.3181   20.399   2.1002 -1.941868 3.128000 
1 1 1    2    3   27 o   64.307   0.7930  4020.52   98.985  4056.54  139.376  3983.86  140.605   64.599   1.1115   64.015   1.1315 0.5831375 1.586081 
1 1 1    2    3   28 o   58.195   0.7863  3294.48   88.826  3297.42  125.040  3291.48  126.206   58.222   1.1064   58.168   1.1177 0.5376053E-01 1.572681 
1 1 1    2    3   29 o   74.877   0.8239  5459.04  119.741  5346.14  168.119  5575.28  170.588   74.090   1.1689   75.663   1.1614 -1.572762 1.647836 
1 1 1    2    3   30 o   23.297   1.4189  535.705   63.574  627.494   90.897  447.810   88.948   25.280   1.8523   21.314   2.1499 3.966463 2.837734 
1 1 1    2    3   31 o   50.200   0.8285  2456.61   80.628  2628.24  117.314  2302.96  110.999   51.860   1.1653   48.541   1.1780 3.318745 1.657023 
1 1 1    2    3   32 o   29.101   1.1961  840.131   67.283  772.885   96.741  903.133   93.640   27.939   1.7837   30.262   1.5940 -2.322733 2.392219 
1 1 1    2    3   33 o   9.0105   2.4676   55.329   64.597   1.9218   91.007  109.557   91.705   7.6270   3.3112   10.394   3.6596 -2.766905 4.935198 
1 1 1    2    3   34 o   16.191   2.1976  284.384   67.265  354.379   97.672  221.238   92.771   18.389   2.7361   13.993   3.4397 4.396494 4.395214 
1 1 1    2    4    0 o  123.218   0.8280 14737.65  198.054 14841.63  281.044 14635.08  279.146  123.650   1.1709  122.787   1.1712 0.8634491 1.656073 
1 1 1    2    4    1 o   52.264   0.4297  2646.42   43.533  2562.22   59.720  2741.90   63.592   51.379   0.5988   53.150   0.6164 -1.770920 0.8593355 
1 1 1    2    4    2 o  225.737   1.3635 49458.60  597.374 48441.70  835.350 50522.92  854.608  223.363   1.9266  228.110   1.9300 -4.747604 2.727030 
1 1 1    2    4    3 f   53.793   0.5314  2807.66   53.098  2812.27   89.167  2805.13   66.095   53.827   0.8534   53.759   0.6334 0.6782532E-01 1.062725 
1 1 1    2    4    4 o  137.483   0.8173 18346.38  218.123 18229.33  307.765 18464.50  309.184  137.042   1.1569  137.923   1.1548 -0.8811646 1.634643 
1 1 1    2    4    5 o   32.555   0.3305  1028.56   20.875  1030.95   30.081  1026.33   28.993   32.591   0.4755   32.518   0.4593 0.7298279E-01 0.6610964 
1 1 1    2    4    6 o  218.182   1.1212 46217.15  467.727 46237.50  610.887 46188.31  727.125  218.244   1.4420  218.120   1.7173 0.1239471 2.242408 
1 1 1    2    4    7 o  274.967   1.1684 73403.81  623.607 72659.59  875.337 74170.81  888.640  273.552   1.6484  276.382   1.6563 -2.829620 2.336833 
1 1 1    2    4    8 o  196.074   1.0021 37325.74  381.404 37089.47  537.615 37565.16  541.177  195.449   1.4170  196.699   1.4173 -1.249359 2.004180 
1 1 1    2    4    9 o  116.061   0.8525 13069.38  188.959 13117.79  295.168 13035.77  245.968  116.241   1.3081  115.881   1.0935 0.3596649 1.704933 
1 1 1    2    4   10 o  195.367   1.0027 37052.76  380.251 36935.00  536.712 37171.45  538.806  195.056   1.4175  195.679   1.4185 -0.6233215 2.005326 
1 1 1    2    4   11 o  208.088   1.0370 42032.96  418.869 41750.93  591.263 42317.13  593.485  207.387   1.4687  208.789   1.4643 -1.401596 2.073962 
1 1 1    2    4   12 o  270.194   1.1430 70867.88  599.464 71164.59  850.552 70575.01  845.014  270.756   1.6183  269.632   1.6145 1.123810 2.285906 
1 1 1    2    4   13 o  264.471   1.1501 67896.25  590.439 67340.84  830.060 68465.12  840.044  263.377   1.6236  265.566   1.6295 -2.189301 2.300287 
1 1 1    2    4   14 o  304.249   1.2182 89866.45  719.459 90058.42  1018.57 89675.28  1016.37  304.573   1.7228  303.925   1.7227 0.6485596 2.436365 
1 1 1    2    4   15 o  190.760   1.0906 35301.25  402.375 35033.70  545.224 35621.26  596.288  189.968   1.4785  191.551   1.6036 -1.582947 2.181212 
1 1 1    2    4   16 o  130.768   0.8970 16600.86  227.699 16674.22  321.929 16527.42  322.100  131.057   1.2654  130.479   1.2717 0.5783081 1.794020 
1 1 1    2    4   17 o  136.709   0.9243 18144.60  245.283 18096.52  345.555 18193.42  348.227  136.526   1.3039  136.891   1.3105 -0.3648376 1.848614 
1 1 1    2    4   18 o  224.644   1.2059 49023.93  524.072 48902.46  773.216 49127.15  712.769  224.380   1.7752  224.908   1.6326 -0.5279388 2.411796 
1 1 1    2    4   19 o  136.367   0.9252 18056.39  244.899 18287.96  347.565 17828.06  345.127  137.236   1.3047  135.499   1.3121 1.736877 1.850375 
1 1 1    2    4   20 o  109.334   0.9142 11614.94  193.952 11866.63  272.403 11356.16  276.215  110.537   1.2695  108.131   1.3159 2.406219 1.828481 
1 1 1    2    4   21 o  163.150   1.1014 25870.68  348.032 25768.40  509.029 25960.45  476.922  162.840   1.6103  163.459   1.5030 -0.6184998 2.202799 
1 1 1    2    4   22 o   44.203   0.7151  1897.35   61.357  1909.29   87.298  1885.70   86.256   44.340   1.0143   44.065   1.0084 0.2746658 1.430226 
1 1 1    2    4   23 f   83.600   0.9829  6705.73  150.146  6543.83  182.561  7044.16  263.951   82.076   1.1458   85.123   1.5974 -3.046646 1.965857 
1 1 1    2    4   24 o   46.394   0.7757  2091.82   69.808  1994.31   98.609  2189.79   98.839   45.308   1.1212   47.479   1.0724 -2.170422 1.551482 
1 1 1    2    4   25 o   42.204   0.8193  1731.31   67.030  1723.71   97.297  1738.18   92.477   42.114   1.1902   42.294   1.1264 -0.1792870 1.638682 
1 1 1    2    4   26 o   54.005   0.7676  2833.80   80.462  2898.02  114.741  2771.66  112.862   54.607   1.0824   53.403   1.0887 1.204208 1.535259 
1 1 1    2    4   27 o   74.135   0.8160  5340.44  117.395  5475.35  168.450  5213.02  163.696   75.045   1.1563   73.225   1.1516 1.819328 1.631980 
1 1 1    2    4   28 o   36.992   0.9550  1332.75   68.550  1379.21   97.262  1286.89   96.630   37.635   1.3313   36.350   1.3694 1.284901 1.909930 
1 1 1    2    4   29 o   54.490   0.8090  2891.38   85.572  2890.69  121.171  2892.07  120.863   54.483   1.1457   54.497   1.1425 -0.1354599E-01 1.618012 
1 1 1    2    4   30 o   82.685   0.8633  6668.17  138.542  6732.11  198.188  6607.07  193.742   83.070   1.2290   82.300   1.2127 0.7695389 1.726625 
1 1 1    2    4   31 o   56.162   0.8131  3081.71   88.635  3052.75  124.551  3111.43  126.161   55.895   1.1479   56.428   1.1518 -0.5333481 1.626119 
1 1 1    2    4   32 o   19.568   1.6970  384.163   63.897  456.245   93.107  319.988   87.851   21.341   2.2475   17.795   2.5432 3.546114 3.393978 
1 1 1    2    4   33 o   12.640   2.4825  176.720   64.870  125.947   92.116  226.673   91.369   10.911   3.6741   14.369   3.3393 -3.457254 4.964938 
1 1 1    2    4   34 o   36.932   1.0642  1355.97   76.292  1335.69  107.636  1376.44  108.151   36.650   1.5129   37.214   1.4971 -0.5642700 2.128478 
1 1 1    2    5    0 o  104.808   0.7897 10653.04  159.475 10582.91  212.593 10743.28  241.164  104.415   1.0489  105.201   1.1809 -0.7865906 1.579477 
1 1 1    2    5    1 o  188.497   1.3363 34497.98  488.949 34365.41  688.779 34632.66  694.208  188.132   1.8860  188.862   1.8936 -0.7298431 2.672590 
1 1 1    2    5    2 o  285.882   1.4098 79352.77  782.378 79391.63  1104.55 79313.66  1108.36  285.953   1.9899  285.812   1.9977 0.1408081 2.819660 
1 1 1    2    5    3 o  152.090   0.9313 22452.33  274.946 22310.72  387.278 22596.23  390.404  151.607   1.3160  152.574   1.3182 -0.9669495 1.862604 
1 1 1    2    5    4 o  426.294   1.4535 176505.80  1192.06 175765.41  1808.86 177074.20  1584.91  425.498   2.1900  427.091   1.9117 -1.593384 2.907000 
1 1 1    2    5    5 o  225.934   1.0670 49564.21  466.620 49706.50  636.696 49399.13  685.841  226.286   1.4495  225.583   1.5662 0.7034302 2.134011 
1 1 1    2    5    6 o  269.577   1.1938 70580.43  623.601 70060.84  907.598 71045.08  858.276  268.634   1.7405  270.519   1.6344 -1.884674 2.387589 
1 1 1    2    5    7 o  223.142   1.1374 48373.04  485.551 48497.14  635.396 48198.83  752.774  223.494   1.4646  222.790   1.7406 0.7042542 2.274811 
1 1 1    2    5    8 o  123.994   0.7975 14924.67  191.952 15050.60  272.491 14800.62  270.443  124.513   1.1274  123.475   1.1283 1.038399 1.595026 
1 1 1    2    5    9 o   37.957   0.4166  1398.54   30.690  1394.36   43.843  1402.55   42.975   37.902   0.5959   38.013   0.5824 -0.1111832 0.8332447 
1 1 1    2    5   10 f  103.284   0.8162 10368.14  160.431 10288.00  252.738 10422.22  207.623  102.948   1.2647  103.619   1.0322 -0.6719208 1.632468 
1 1 1    2    5   11 o   94.415   0.7882  8601.77  140.633  8436.08  178.605  8872.11  228.135   93.226   0.9869   95.603   1.2293 -2.377136 1.576451 
1 1 1    2    5   12 o  191.545   1.0104 35613.52  375.685 35822.43  533.811 35408.49  528.822  192.102   1.4315  190.989   1.4264 1.113037 2.020832 
1 1 1    2    5   13 f  365.705   1.2735 129835.20  904.069 130454.50  1283.40 129225.20  1273.75  366.570   1.8036  364.839   1.7985 1.730927 2.547089 
1 1 1    2    5   14 o   81.791   1.1998  6788.89  153.321  7006.83  173.250  6001.68  329.267   84.962   1.0505   78.620   2.1575 6.341362 2.399629 
1 1 1    2    5   15 o   61.824   0.6054  3708.93   72.647  3796.40  103.704  3624.65  101.798   62.539   0.8542   61.108   0.8582 1.430996 1.210855 
1 1 1    2    5   16 o  249.565   1.1649 60467.41  564.335 61065.93  802.396 59881.59  793.853  250.787   1.6482  248.343   1.6467 2.443787 2.329890 
1 1 1    2    5   17 o  238.759   1.4618 55192.03  656.223 54660.04  828.614 56087.00  1074.75  237.243   1.7993  240.276   2.3043 -3.032822 2.923522 
1 1 1    2    5   18 o  170.585   1.1506 28271.48  380.043 28116.13  556.915 28406.87  519.914  170.142   1.6862  171.028   1.5660 -0.8854218 2.301250 
1 1 1    2    5   19 o   85.676   0.7721  7126.14  128.410  7190.61  182.715  7063.23  180.503   86.059   1.0937   85.293   1.0902 0.7655792 1.544280 
1 1 1    2    5   20 o  115.852   0.9043 13032.09  203.346 13287.99  290.284 12785.52  284.941  116.969   1.2785  114.736   1.2794 2.232857 1.808652 
1 1 1    2    5   21 o  199.406   1.3394 38657.15  518.430 39121.93  735.905 38199.21  730.468  200.597   1.8899  198.216   1.8984 2.381241 2.678750 
1 1 1    2    5   22 o   70.106   0.7270  4772.26   98.920  4811.79  141.588  4734.56  138.258   70.389   1.0362   69.822   1.0201 0.5665207 1.454075 
1 1 1    2    5   23 o  101.338   0.9008  9972.56  177.109 10123.34  255.415  9832.91  245.801  102.074   1.2890  100.602   1.2587 1.472404 1.801632 
1 1 1    2    5   24 o  167.238   1.4602 27229.27  474.020 27006.71  666.352 27457.27  674.451  166.548   2.0611  167.929   2.0690 -1.381516 2.920426 
1 1 1    2    5   25 o   68.172   0.7738  4514.96  102.388  4587.39  145.931  4444.72  143.693   68.710   1.0941   67.634   1.0945 1.076942 1.547568 
1 1 1    2    5   26 o   54.038   0.7805  2836.58   81.843  2944.36  117.155  2733.85  114.381   55.041   1.0965   53.035   1.1110 2.005070 1.560991 
1 1 1    2    5   27 o   34.916   0.9779  1186.24   66.270  1162.67   93.628  1209.91   93.813   34.568   1.3953   35.264   1.3704 -0.6967316 1.955759 
1 1 1    2    5   28 o   31.683   1.0796  978.508   66.388  976.537   93.141  980.545   94.652   31.651   1.5159   31.714   1.5375 -0.6294441E-01 2.159154 
1 1 1    2    5   29 o   17.402   1.9239  308.497   62.270  253.371   90.232  358.624   86.044   15.714   3.0682   19.091   2.3219 -3.376678 3.847709 
1 1 1    2    5   30 o   50.418   0.8352  2481.21   81.668  2559.15  114.399  2400.21  116.625   51.232   1.1503   49.603   1.2112 1.628704 1.670394 
1 1 1    2    5   31 o   56.344   0.8108  3101.97   88.673  3041.76  124.878  3163.20  125.934   55.791   1.1531   56.898   1.1402 -1.107105 1.621628 
1 1 1    2    5   32 o   26.598   1.2673  698.711   65.335  745.363   95.409  657.518   89.655   27.431   1.7918   25.764   1.7927 1.667385 2.534569 
1 1 1    2    5   33 o   29.391   1.2206  861.054   69.349  767.448   97.489  956.940   98.669   27.734   1.8108   31.047   1.6372 -3.312460 2.441192 
1 1 1    2    5   34 o   11.894   2.4910  157.917   67.504  237.255   93.262   70.611   97.833   14.523   3.3727   9.2640   3.6667 5.259078 4.981944 
1 1 1    2    6    0 o  103.360   0.8455 10389.35  167.787 10501.26  222.136 10240.67  256.032  104.010   1.1002  102.709   1.2842 1.300941 1.691016 
1 1 1    2    6    1 o  238.278   1.5304 55087.28  693.000 54919.80  892.511 55341.55  1099.71  237.833   1.9332  238.723   2.3731 -0.8904266 3.060873 
1 1 1    2    6    2 o  302.631   1.4248 88913.67  836.995 88521.13  1178.58 89313.09  1188.86  301.957   2.0107  303.304   2.0192 -1.347351 2.849612 
1 1 1    2    6    3 o  242.286   1.3872 56985.95  652.440 57334.39  924.506 56640.23  920.885  243.024   1.9597  241.548   1.9640 1.475754 2.774477 
1 1 1    2    6    4 o  402.983   1.4325 157670.80  1109.51 157535.30  1691.88 157773.09  1469.64  402.824   2.1637  403.141   1.8780 -0.3167725 2.864996 
1 1 1    2    6    5 o   18.435   0.3373  329.323   12.060  344.554   17.481  315.489   16.660   18.841   0.4780   18.029   0.4760 0.8121777 0.6745789 
1 1 1    2    6    6 o   69.446   0.5477  4680.35   73.827  4734.84  105.381  4627.84  103.459   69.843   0.7773   69.049   0.7719 0.7936401 1.095420 
1 1 1    2    6    7 o   51.155   0.5287  2510.84   49.763  2631.02   86.205  2450.78   60.943   52.062   0.8530   50.248   0.6248 1.813377 1.057349 
1 1 1    2    6    8 o  228.573   1.0938 50718.94  483.756 50622.31  658.032 50832.59  713.613  228.339   1.4846  228.806   1.6067 -0.4671478 2.187551 
1 1 1    2    6    9 o   83.184   0.6393  6716.36  103.234  6767.08  146.893  6666.87  145.113   83.495   0.9063   82.874   0.9020 0.6204987 1.278694 
1 1 1    2    6   10 o  160.534   0.9248 25014.81  288.172 25331.25  409.603 24704.68  405.501  161.539   1.3062  159.529   1.3094 2.010391 1.849563 
1 1 1    2    6   11 o  223.425   1.1238 48428.62  485.378 48783.39  721.308 48135.04  656.164  224.171   1.6576  222.679   1.5180 1.491409 2.247636 
1 1 1    2    6   12 o  170.111   0.9606 28089.08  317.202 27917.08  446.888 28263.72  450.314  169.586   1.3575  170.636   1.3595 -1.049576 1.921216 
1 1 1    2    6   13 o  144.854   0.9009 20367.49  253.329 20513.66  359.448 20223.23  357.086  145.371   1.2738  144.338   1.2745 1.032730 1.801880 
1 1 1    2    6   14 o  509.043   1.5384 251437.91  1518.97 255545.20  2199.71 247694.30  2100.05  513.011   2.2089  505.076   2.1419 7.935760 3.076865 
1 1 1    2    6   15 o  171.525   1.0440 28545.30  346.539 28764.28  511.387 28359.36  471.232  172.132   1.5305  170.919   1.4203 1.213287 2.087956 
1 1 1    2    6   16 o   74.493   0.6735  5385.72   97.387  5282.29  136.751  5492.15  138.721   73.768   0.9550   75.219   0.9501 -1.451118 1.347073 
1 1 1    2    6   17 o  224.599   1.1368 48980.25  495.600 49569.80  704.336 48402.11  697.484  225.937   1.6059  223.260   1.6094 2.677261 2.273568 
1 1 1    2    6   18 o   56.298   0.6290  3074.90   68.713  3157.22   98.708  2997.49   95.710   57.029   0.8916   55.567   0.8873 1.461296 1.257913 
1 1 1    2    6   19 o   96.817   0.8038  9097.52  151.035  9289.16  216.201  8914.85  211.083   97.812   1.1387   95.821   1.1348 1.990829 1.607606 
1 1 1    2    6   20 o  137.523   0.9850 18373.09  262.628 18323.68  380.845 18417.89  362.646  137.344   1.4285  137.702   1.3567 -0.3582153 1.970065 
1 1 1    2    6   21 o   96.272   0.8162  8998.27  152.500  9173.39  218.278  8831.29  213.149   97.187   1.1570   95.358   1.1515 1.829109 1.632365 
1 1 1    2    6   22 o  124.982   0.9694 15177.75  235.185 15149.55  333.841 15205.52  331.375  124.866   1.3773  125.098   1.3646 -0.2317047 1.938844 
1 1 1    2    6   23 o  105.382   0.9101 10790.37  186.162 10885.79  263.366 10695.08  263.178  105.848   1.2818  104.916   1.2922 0.9322128 1.820116 
1 1 1    2    6   24 o  133.996   1.1938 17461.02  310.488 17259.99  435.373 17669.08  442.917  133.212   1.6836  134.780   1.6929 -1.567856 2.387588 
1 1 1    2    6   25 o   29.624   1.0393  853.573   59.753  849.834   85.285  857.177   83.744   29.560   1.4863   29.689   1.4531 -0.1287785 2.078605 
1 1 1    2    6   26 o   58.062   0.7803  3275.33   87.908  3315.29  126.592  3238.11  122.167   58.403   1.1166   57.721   1.0903 0.6819115 1.560646 
1 1 1    2    6   27 o   18.630   1.7307  340.340   62.396  367.491   87.718  312.531   88.774   19.390   2.3304   17.869   2.5593 1.521484 3.461365 
1 1 1    2    6   28 o   71.627   0.8158  4979.57  113.273  4746.86  155.343  5243.80  165.527   69.846   1.1457   73.408   1.1616 -3.562447 1.631585 
1 1 1    2    6   29 o   44.218   0.8667  1904.11   74.366  1943.70  106.875  1866.95  103.543   44.662   1.2328   43.773   1.2186 0.8886185 1.733366 
1 1 1    2    6   30 o   58.767   0.8098  3367.10   92.366  3346.73  129.521  3388.18  131.758   58.588   1.1389   58.947   1.1515 -0.3587799 1.619525 
1 1 1    2    6   31 o   47.602   0.8650  2216.72   79.924  2175.74  112.981  2257.77  113.079   47.158   1.2342   48.046   1.2124 -0.8874550 1.730099 
1 1 1    2    6   32 o   26.206   1.2924  680.718   65.640  733.723   93.954  630.179   91.743   27.217   1.7783   25.195   1.8758 2.021940 2.584753 
1 1 1    2    6   33 o   24.120   1.4414  585.180   67.396  548.497   95.008  622.336   95.619   23.335   2.0975   24.906   1.9778 -1.571503 2.882873 
1 1 1    2    6   34 o   29.468   1.5852  942.657   83.001  1063.21  103.590  726.461  138.723   32.622   1.6359   26.314   2.7158 6.307756 3.170425 
1 1 1    2    7    0 o  282.312   1.3989 77379.70  766.613 77820.69  1086.13 76941.92  1082.19  283.113   1.9763  281.510   1.9804 1.603210 2.797795 
1 1 1    2    7    1 o  298.017   1.4169 86222.84  819.638 85861.03  1152.97 86592.52  1165.42  297.385   1.9973  298.648   2.0103 -1.263550 2.833770 
1 1 1    2    7    2 o  189.248   1.2191 34855.23  433.454 35121.64  549.005 34414.32  706.277  190.214   1.4869  188.281   1.9324 1.933060 2.438236 
1 1 1    2    7    3 o  649.390   1.8307 409423.00  2307.56 410749.50  3283.12 408127.91  3244.00  650.429   2.6003  648.352   2.5775 2.077087 3.661310 
1 1 1    2    7    4 o  156.791   0.9542 23858.29  290.385 24245.41  414.164 23483.97  407.257  158.042   1.3500  155.541   1.3488 2.501450 1.908368 
1 1 1    2    7    5 o   65.868   0.6114  4184.20   74.787  4303.07  126.482  4120.30   92.735   66.582   0.9786   65.154   0.7332 1.428299 1.222825 
1 1 1    2    7    6 o  295.626   1.2169 84848.96  697.112 84759.18  957.520 84950.23  1016.89  295.463   1.6695  295.789   1.7710 -0.3265686 2.433862 
1 1 1    2    7    7 o   50.691   0.4462  2491.07   43.875  2378.46   60.896  2612.63   63.271   49.501   0.6337   51.881   0.6282 -2.379654 0.8923641 
1 1 1    2    7    8 o  192.311   0.9866 35905.39  368.313 35716.05  519.707 36096.45  522.047  191.801   1.3959  192.820   1.3947 -1.018738 1.973249 
1 1 1    2    7    9 o  164.680   1.0052 26293.72  318.517 26069.20  422.489 26589.37  484.819  163.869   1.3282  165.490   1.5092 -1.621338 2.010388 
1 1 1    2    7   10 o  251.559   1.1074 61432.68  540.745 61209.67  763.071 61657.62  766.398  251.101   1.5655  252.018   1.5666 -0.9171143 2.214724 
1 1 1    2    7   11 o  105.201   0.7882 10759.81  160.296 10541.18  236.350 10946.03  218.130  104.210   1.1684  106.193   1.0582 -1.983177 1.576334 
1 1 1    2    7   12 o  317.019   1.2391 97584.28  761.698 97152.53  1102.00 97979.25  1054.01  316.346   1.7945  317.692   1.7091 -1.346375 2.478203 
1 1 1    2    7   13 o  260.929   1.1493 66093.98  582.124 65831.69  820.758 66359.47  825.761  260.408   1.6237  261.450   1.6270 -1.041656 2.298598 
1 1 1    2    7   14 f  401.348   1.3910 156395.80  1083.73 156656.59  1531.73 156134.30  1533.53  401.683   1.9644  401.013   1.9700 0.6705017 2.782065 
1 1 1    2    7   15 o  197.159   1.0590 37736.35  405.289 37730.23  572.945 37742.48  573.385  197.143   1.4972  197.175   1.4981 -0.3198242E-01 2.117937 
1 1 1    2    7   16 o  186.288   1.0935 33697.17  394.463 33635.51  577.989 33750.92  539.688  186.126   1.5997  186.449   1.4911 -0.3232269 2.186921 
1 1 1    2    7   17 o  147.604   0.9921 21142.55  283.685 20978.58  388.207 21330.46  415.570  146.992   1.3605  148.216   1.4444 -1.224274 1.984256 
1 1 1    2    7   18 o   68.105   0.6614  4502.10   87.433  4559.27  124.645  4446.71  122.677   68.531   0.9370   67.679   0.9338 0.8511581 1.322814 
1 1 1    2    7   19 o  109.972   0.8879 11744.82  189.457 11700.28  271.853 11786.89  264.177  109.769   1.2758  110.176   1.2352 -0.4071426 1.775809 
1 1 1    2    7   20 o   79.998   0.7472  6216.11  116.002  6070.53  164.613  6359.73  163.496   79.066   1.0725   80.929   1.0407 -1.862625 1.494465 
1 1 1    2    7   21 o  124.498   0.9923 15047.54  239.719 15426.51  345.249 14694.76  333.103  126.010   1.4114  122.987   1.3953 3.023567 1.984669 
1 1 1    2    7   22 o  126.906   0.9747 15647.87  240.104 15763.63  341.430 15534.62  337.717  127.370   1.3809  126.442   1.3759 0.9280701 1.949398 
1 1 1    2    7   23 o   91.997   0.8831  8222.69  157.702  8180.61  222.483  8265.18  223.568   91.761   1.2490   92.234   1.2487 -0.4731140 1.766162 
1 1 1    2    7   24 o   53.180   0.7541  2744.64   77.806  2665.36  107.937  2830.41  112.259   52.381   1.0615   53.978   1.0714 -1.597065 1.508193 
1 1 1    2    7   25 o   46.423   0.7824  2094.27   70.498  2123.16   99.574  2065.24   99.824   46.744   1.0974   46.101   1.1155 0.6428986 1.564756 
1 1 1    2    7   26 o   59.180   0.7837  3401.65   89.995  3521.72  129.119  3288.23  125.502   60.195   1.1050   58.165   1.1115 2.030159 1.567338 
1 1 1    2    7   27 o   76.633   0.8252  5709.78  122.747  5766.72  174.143  5653.55  173.044   77.013   1.1649   76.253   1.1691 0.7599030 1.650345 
1 1 1    2    7   28 o   28.177   1.2227  777.732   66.376  895.745   94.573  663.161   93.183   30.302   1.6078   26.052   1.8426 4.249819 2.445417 
1 1 1    2    7   29 o   34.125   1.0336  1132.65   68.324  1237.65   99.803  1040.04   93.733   35.610   1.4438   32.639   1.4794 2.970863 2.067150 
1 1 1    2    7   30 o   55.967   0.8103  3054.12   88.030  3075.20  125.471  3033.68  123.538   56.156   1.1510   55.778   1.1410 0.3780899 1.620693 
1 1 1    2    7   31 f   26.105   1.3183  673.243   66.700  623.271   93.030  726.105   95.682   25.098   1.9095   27.113   1.8180 -2.015690 2.636529 
1 1 1    2    7   32 o   29.743   1.1666  874.193   67.335  861.177   95.846  886.878   94.618   29.517   1.6728   29.969   1.6265 -0.4520187 2.333158 
1 1 1    2    7   33 o   14.651   2.3709  236.831   66.637  181.570   93.250  294.502   95.261   12.760   3.6053   16.541   3.0801 -3.780543 4.741881 
1 1 1    2    7   34 o   34.611   1.1166  1195.21   75.006  1212.11  105.612  1178.01  106.544   34.869   1.5603   34.353   1.5977 0.5160637 2.233202 
1 1 1    2    8    0 o  163.070   1.1249 25708.19  343.514 25419.84  431.030 26210.14  568.702  161.825   1.3721  164.315   1.7830 -2.489990 2.249832 
1 1 1    2    8    1 o  349.194   1.4648 118377.70  992.885 118277.00  1399.97 118479.60  1408.38  349.045   2.0662  349.344   2.0768 -0.2984009 2.929565 
1 1 1    2    8    2 o  196.366   1.2812 37443.75  483.637 37520.63  641.290 37342.34  736.478  196.602   1.6804  196.130   1.9344 0.4719696 2.562336 
1 1 1    2    8    3 o  253.202   1.4000 62220.15  687.998 61274.59  961.994 63210.16  984.343  251.233   1.9726  255.170   1.9872 -3.936783 2.800025 
1 1 1    2    8    4 o   83.545   0.6441  6774.87  104.451  6727.05  147.654  6822.77  147.779   83.250   0.9137   83.840   0.9080 -0.5902176 1.288148 
1 1 1    2    8    5 o  313.374   1.3670 95345.97  823.302 95339.62  1255.84 95350.75  1090.28  313.358   2.0646  313.390   1.7922 -0.3216553E-01 2.733942 
1 1 1    2    8    6 f  133.327   0.8576 17221.04  221.316 17702.66  327.563 16816.52  300.199  135.037   1.2496  131.616   1.1750 3.421463 1.715271 
1 1 1    2    8    7 o  241.818   1.0681 56775.02  501.346 56295.82  705.736 57263.21  712.331  240.788   1.5099  242.848   1.5111 -2.059967 2.136131 
1 1 1    2    8    8 o  199.348   1.0062 38579.73  389.338 38939.78  553.090 38226.06  548.157  200.270   1.4227  198.426   1.4231 1.843857 2.012300 
1 1 1    2    8    9 o  123.578   0.8066 14819.00  193.457 14435.42  270.743 15219.14  276.527  121.945   1.1437  125.212   1.1377 -3.266617 1.613227 
1 1 1    2    8   10 o  433.671   1.4166 182514.50  1191.94 180145.00  1655.48 185065.09  1717.56  430.751   1.9799  436.591   2.0266 -5.839539 2.833196 
1 1 1    2    8   11 o  321.941   1.2334 100585.10  769.565 100070.30  1057.46 101164.60  1122.07  321.067   1.6967  322.814   1.7906 -1.747406 2.466794 
1 1 1    2    8   12 o  326.289   1.4076 103068.60  860.839 104481.60  1420.21 102248.00  1082.32  328.040   2.2303  324.537   1.7180 3.502350 2.815273 
1 1 1    2    8   13 o  238.690   1.1711 55290.08  540.655 55532.50  800.149 55086.40  733.407  239.169   1.7235  238.211   1.5861 0.9582977 2.342194 
1 1 1    2    8   14 o  154.146   1.2530 23172.85  366.952 23594.74  475.018 22548.49  577.864  155.898   1.5697  152.393   1.9534 3.505127 2.505925 
1 1 1    2    8   15 o  245.726   1.2696 58622.74  605.583 58438.05  853.567 58809.90  859.308  245.336   1.7923  246.115   1.7986 -0.7790527 2.539184 
1 1 1    2    8   16 o   33.727   0.7270  1104.23   47.598  1100.14   67.124  1108.36   67.507   33.665   1.0272   33.790   1.0292 -0.1256638 1.454047 
1 1 1    2    8   17 o  130.196   0.8918 16454.96  225.361 16226.47  316.174 16690.93  321.306  129.278   1.2599  131.115   1.2624 -1.837082 1.783545 
1 1 1    2    8   18 o   91.133   0.7646  8063.25  135.254  8057.32  191.942  8069.10  190.620   91.100   1.0854   91.166   1.0771 -0.6674957E-01 1.529147 
1 1 1    2    8   19 o  112.069   0.8472 12195.97  184.295 12270.57  259.756 12120.35  261.517  112.414   1.1904  111.724   1.2058 0.6908722 1.694407 
1 1 1    2    8   20 o   89.108   0.7517  7705.93  129.980  7497.85  181.348  7925.76  186.395   87.871   1.0632   90.344   1.0628 -2.472633 1.503315 
1 1 1    2    8   21 o   57.969   0.6786  3262.88   76.357  3283.70  108.543  3242.49  107.435   58.152   0.9616   57.786   0.9578 0.3658981 1.357160 
1 1 1    2    8   22 o  152.002   1.1561 22460.85  341.103 22473.96  484.015 22447.91  480.786  152.045   1.6399  151.958   1.6299 0.8662415E-01 2.312123 
1 1 1    2    8   23 o   99.434   0.8814  9605.52  170.109  9652.62  242.060  9559.56  239.109   99.674   1.2510   99.193   1.2418 0.4808807 1.762716 
1 1 1    2    8   24 o   64.475   0.7520  4037.12   94.097  4087.73  134.852  3989.10  131.364   64.868   1.0709   64.082   1.0560 0.7866135 1.504019 
1 1 1    2    8   25 f   38.004   0.8660  1403.40   63.856  1466.16   91.106  1342.80   89.526   38.840   1.2084   37.169   1.2408 1.671253 1.731990 
1 1 1    2    8   26 o   73.971   0.8127  5318.25  116.694  5247.53  164.355  5390.14  165.712   73.475   1.1523   74.467   1.1464 -0.9922409 1.625441 
1 1 1    2    8   27 o   46.036   0.8504  2060.85   75.990  2076.12  108.022  2045.90  106.917   46.205   1.2044   45.868   1.2008 0.3373070 1.700722 
1 1 1    2    8   28 o   63.114   0.8009  3876.31   98.114  3856.40  139.224  3895.95  138.290   62.952   1.1393   63.275   1.1259 -0.3238754 1.601755 
1 1 1    2    8   29 o   84.187   0.8674  6905.92  141.719  6975.13  202.663  6839.69  198.253   84.597   1.2341   83.776   1.2191 0.8211670 1.734701 
1 1 1    2    8   30 o   10.646   2.5328  109.696   61.905  103.320   90.767  115.240   84.646   10.503   3.6442   10.790   3.5184 -0.2870932 5.065515 
1 1 1    2    8   31 o   48.470   0.8488  2299.07   79.793  2185.21  112.595  2413.94  113.094   47.255   1.2274   49.685   1.1726 -2.429321 1.697542 
1 1 1    2    8   32 o   17.589   1.9000  315.231   64.740  337.182   91.505  293.231   91.607   18.234   2.5853   16.945   2.7849 1.288157 3.799924 
1 1 1    2    8   33 o   24.618   1.4664  610.842   70.028  599.626  100.302  621.507   97.813   24.378   2.1196   24.859   2.0270 -0.4813080 2.932801 
1 1 1    2    8   34 o   40.353   0.9807  1615.17   76.806  1603.93  109.557  1626.03  107.708   40.205   1.4038   40.502   1.3700 -0.2970810 1.961468 
1 1 1    2    9    0 o  193.504   1.2234 36327.18  444.071 36268.18  559.833 36427.29  729.260  193.296   1.4920  193.712   1.9394 -0.4163361 2.446885 
1 1 1    2    9    1 o  324.444   1.6187 102196.90  997.620 102209.50  1284.79 102177.70  1583.19  324.478   2.0398  324.410   2.5140 0.6726074E-01 3.237447 
1 1 1    2    9    2 o   96.915   0.7088  9116.23  133.342  9043.54  187.680  9190.33  189.481   96.525   1.0016   97.305   1.0031 -0.7802429 1.417599 
1 1 1    2    9    3 o  128.862   0.8687 16117.75  217.295 15984.40  306.136 16253.14  308.480  128.325   1.2290  129.399   1.2281 -1.074265 1.737402 
1 1 1    2    9    4 o  315.190   1.4608 96453.18  893.783 96495.61  1261.64 96410.44  1266.37  315.259   2.0616  315.120   2.0702 0.1395874 2.921651 
1 1 1    2    9    5 o  194.314   1.1451 36655.43  429.110 36643.25  574.810 36670.75  644.932  194.280   1.5242  194.347   1.7095 -0.6701660E-01 2.290299 
1 1 1    2    9    6 o  105.695   0.9031 10857.76  184.856 10656.00  269.409 11037.27  254.113  104.765   1.3247  106.625   1.2277 -1.859955 1.806167 
1 1 1    2    9    7 o  194.018   0.9916 36547.22  373.455 36408.50  527.031 36687.12  529.267  193.648   1.4020  194.388   1.4026 -0.7395172 1.983188 
1 1 1    2    9    8 o   81.088   0.6227  6383.32   98.000  6462.73  138.149  6302.88  139.041   81.596   0.8722   80.580   0.8889 1.015556 1.245340 
1 1 1    2    9    9 o  100.716   0.7140  9845.52  139.567  9887.49  199.571  9805.34  195.256  100.926   1.0187  100.506   1.0008 0.4199600 1.428030 
1 1 1    2    9   10 o  158.308   0.9998 24326.29  307.235 24093.27  432.361 24563.96  436.664  157.542   1.4138  159.074   1.4141 -1.531448 1.999623 
1 1 1    2    9   11 o  448.490   1.6688 195195.59  1452.11 192427.41  2015.33 198184.50  2094.13  445.186   2.3321  451.793   2.3878 -6.606842 3.337679 
1 1 1    2    9   12 o  286.311   1.2476 79576.71  689.212 79539.02  925.331 79623.69  1032.90  286.239   1.6653  286.384   1.8580 -0.1451721 2.495101 
1 1 1    2    9   13 o   51.991   0.5522  2622.85   55.696  2645.84   80.426  2601.65   77.204   52.210   0.7936   51.772   0.7682 0.4377594 1.104478 
1 1 1    2    9   14 o  321.627   1.2422 100419.90  775.479 101481.60  1103.91 99385.48  1089.61  323.305   1.7590  319.949   1.7544 3.356079 2.484319 
1 1 1    2    9   15 o   46.678   0.8490  2113.34   76.884  2212.15  110.377  2020.21  107.156   47.737   1.1911   45.619   1.2100 2.118080 1.697930 
1 1 1    2    9   16 o   79.214   0.6950  6092.14  106.855  5990.68  151.602  6192.31  150.634   78.558   0.9941   79.869   0.9716 -1.311333 1.390066 
1 1 1    2    9   17 o   84.153   0.7090  6874.83  115.815  6826.24  163.506  6923.76  164.071   83.854   1.0045   84.451   1.0008 -0.5969391 1.417971 
1 1 1    2    9   18 o  121.641   0.8933 14367.47  210.811 14391.32  293.400 14342.01  303.099  121.746   1.2415  121.535   1.2847 0.2102890 1.786576 
1 1 1    2    9   19 o   88.555   0.7440  7611.67  127.864  7724.52  183.117  7504.29  178.619   89.195   1.0576   87.915   1.0466 1.280319 1.487954 
1 1 1    2    9   20 o   86.439   0.8029  7254.31  134.697  7163.81  188.610  7348.51  192.428   85.889   1.1313   86.989   1.1396 -1.099823 1.605732 
1 1 1    2    9   21 o  100.432   0.8668  9790.28  168.832  9644.06  233.191  9951.37  244.758   99.645   1.2056  101.218   1.2457 -1.572693 1.733533 
1 1 1    2    9   22 o  139.490   1.1595 18916.23  313.970 19059.33  444.089 18773.21  443.952  140.018   1.6339  138.962   1.6458 1.056610 2.319096 
1 1 1    2    9   23 o   60.171   0.7197  3516.50   84.063  3500.32  119.111  3532.56  118.657   60.032   1.0221   60.309   1.0136 -0.2762527 1.439449 
1 1 1    2    9   24 o  109.081   1.0027 11565.18  212.297 11469.95  297.709 11663.70  302.822  108.624   1.4119  109.537   1.4242 -0.9121323 2.005414 
1 1 1    2    9   25 o   44.443   0.8200  1919.53   70.723  1864.00   99.723  1975.72  100.314   43.796   1.1730   45.090   1.1461 -1.294716 1.639943 
1 1 1    2    9   26 o   66.003   0.7933  4232.88  101.625  4122.83  142.388  4347.15  145.088   65.129   1.1262   66.878   1.1176 -1.749054 1.586649 
1 1 1    2    9   27 o  131.742   1.1867 16907.35  303.462 17152.30  432.440 16669.68  425.954  132.681   1.6790  130.802   1.6776 1.879547 2.373464 
1 1 1    2    9   28 o   29.352   1.1616  848.055   65.556  729.660   94.083  959.780   91.395   27.330   1.7734   31.374   1.5007 -4.043461 2.323143 
1 1 1    2    9   29 o   41.425   0.9115  1673.06   73.285  1686.87  104.706  1659.80  102.606   41.591   1.2969   41.258   1.2811 0.3326302 1.822978 
1 1 1    2    9   30 f   18.682   1.6986  347.811   61.189  305.091   87.066  389.502   86.011   17.516   2.5607   19.848   2.2324 -2.332485 3.397182 
1 1 1    2    9   31 o   16.144   2.1285  278.963   64.060  432.374   92.585  138.077   88.726   20.802   2.2928   11.487   3.5868 9.315652 4.257049 
1 1 1    2    9   32 o   30.795   1.1294  936.779   67.492  944.978   94.448  928.224   96.480   30.941   1.5725   30.649   1.6216 0.2917614 2.258861 
1 1 1    2    9   33 o   26.672   1.3581  710.711   70.161  779.804  102.379  649.529   96.340   27.904   1.8901   25.441   1.9508 2.462866 2.716268 
1 1 1    2    9   34 o   12.024   2.3581  138.911   67.263  298.430  102.357   17.667   89.237   16.294   3.3480   7.7537   3.3215 8.540797 4.716110 
1 1 1    2   10    0 o   99.793   0.9689  9662.08  187.628  9479.59  261.544  9855.58  269.319   98.823   1.3634  100.763   1.3769 -1.940697 1.937703 
1 1 1    2   10    1 o  188.517   1.2751 34554.12  461.965 34897.79  613.205 34103.09  702.493  189.605   1.6661  187.429   1.9308 2.176071 2.550259 
1 1 1    2   10    2 o   22.336   0.2948  484.016   12.776  478.069   17.733  490.435   18.424   22.193   0.4116   22.479   0.4222 -0.2851791 0.5896682 
1 1 1    2   10    3 o  187.363   1.0470 34077.62  380.804 34078.59  537.146 34076.63  539.941  187.366   1.4769  187.360   1.4846 0.5554199E-02 2.094057 
1 1 1    2   10    4 o  321.506   1.4095 100379.80  878.208 100000.20  1278.44 100719.00  1208.46  320.927   2.0522  322.085   1.9328 -1.157745 2.819078 
1 1 1    2   10    5 o   77.183   0.6046  5781.51   90.571  5689.17  127.104  5876.75  129.092   76.557   0.8553   77.809   0.8547 -1.251900 1.209124 
1 1 1    2   10    6 o  279.661   1.2258 76031.11  655.459 75476.02  1017.15 76425.32  857.167  278.775   1.8796  280.548   1.5740 -1.773407 2.451576 
1 1 1    2   10    7 o  164.800   0.9569 26338.75  305.091 26711.58  451.678 26025.93  413.742  165.870   1.4028  163.731   1.3018 2.139313 1.913755 
1 1 1    2   10    8 o  151.527   0.8958 22289.45  263.498 22111.21  371.500 22469.90  373.796  150.917   1.2681  152.137   1.2657 -1.219208 1.791677 
1 1 1    2   10    9 o  428.731   1.4040 178468.30  1168.43 178185.91  1648.22 178753.59  1656.63  428.390   1.9820  429.072   1.9890 -0.6814270 2.807931 
1 1 1    2   10   10 o  330.968   1.2369 106372.40  794.028 107161.00  1102.98 105524.10  1143.99  332.243   1.7102  329.693   1.7875 2.550323 2.473858 
1 1 1    2   10   11 o  300.667   1.2180 87781.73  709.902 88226.27  980.217 87291.38  1029.50  301.469   1.6750  299.864   1.7686 1.604553 2.435914 
1 1 1    2   10   12 o  172.750   1.0734 28890.75  354.993 28503.55  463.533 29439.99  552.063  171.356   1.3935  174.144   1.6331 -2.787292 2.146854 
1 1 1    2   10   13 o  218.920   1.0915 46522.53  463.812 46162.14  652.917 46889.65  658.985  218.064   1.5424  219.776   1.5447 -1.711548 2.182905 
1 1 1    2   10   14 o  133.813   1.0991 17412.87  284.520 17777.57  389.010 16993.36  417.211  135.323   1.4809  132.302   1.6245 3.021210 2.198200 
1 1 1    2   10   15 o  274.488   1.2683 73220.34  673.036 72408.30  995.018 73905.20  913.793  273.079   1.8771  275.897   1.7062 -2.817932 2.536635 
1 1 1    2   10   16 o  218.091   1.2321 46184.62  521.588 46021.71  735.432 46349.51  739.860  217.704   1.7402  218.478   1.7445 -0.7736969 2.464109 
1 1 1    2   10   17 o   80.716   0.7532  6324.38  118.003  6247.16  165.875  6403.50  167.906   80.217   1.0652   81.215   1.0650 -0.9975128 1.506334 
1 1 1    2   10   18 o  121.374   0.8892 14303.67  209.507 14302.16  296.421 14305.18  296.154  121.367   1.2582  121.380   1.2569 -0.1284790E-01 1.778437 
1 1 1    2   10   19 o   99.349   0.8164  9583.14  157.427  9387.42  221.412  9783.24  223.880   98.323   1.1601  100.375   1.1490 -2.051956 1.632773 
1 1 1    2   10   20 o   92.835   0.7786  8369.56  140.307  8232.45  198.235  8507.20  198.613   92.073   1.1091   93.598   1.0931 -1.524483 1.557284 
1 1 1    2   10   21 o  132.387   1.0735 17040.27  275.400 16843.82  400.112 17217.13  379.642  131.656   1.5656  133.117   1.4692 -1.460480 2.146979 
1 1 1    2   10   22 o  139.050   1.0927 18793.33  294.927 18815.51  419.325 18771.62  414.889  139.130   1.5526  138.970   1.5380 0.1604309 2.185392 
1 1 1    2   10   23 o   46.136   0.9286  2065.98   79.415  2060.37   98.553  2076.37  134.106   46.055   1.1024   46.218   1.4948 -0.1627197 1.857298 
1 1 1    2   10   24 o   55.958   0.7479  3041.87   81.232  3046.37  115.761  3037.51  114.018   55.999   1.0649   55.918   1.0504 0.8081818E-01 1.495794 
1 1 1    2   10   25 o   66.735   0.7779  4326.96  100.760  4260.10  141.696  4395.35  143.311   66.214   1.1024   67.257   1.0977 -1.043228 1.555707 
1 1 1    2   10   26 o   84.909   0.8618  7008.37  142.022  7054.62  202.649  6963.73  199.098   85.183   1.2255   84.634   1.2119 0.5489197 1.723528 
1 1 1    2   10   27 o   45.180   1.0445  2011.28   86.322  1914.37  147.700  2061.55  106.382   44.320   1.7168   46.041   1.1903 -1.721603 2.089064 
1 1 1    2   10   28 o   35.224   0.9958  1204.19   67.939  1311.87   99.681  1110.78   92.843   36.689   1.3996   33.758   1.4168 2.930553 1.991530 
1 1 1    2   10   29 o   57.474   0.8020  3212.21   89.382  3340.96  130.179  3097.37  122.941   58.560   1.1452   56.389   1.1232 2.171124 1.604041 
1 1 1    2   10   30 f   11.194   2.2719  118.109   59.142   25.076   82.780  215.112   84.528   8.0276   3.3020   14.360   3.1215 -6.332027 4.543859 
1 1 1    2   10   31 o   38.330   0.9632  1441.27   71.637  1492.85  101.713  1390.49  100.910   39.016   1.3430   37.643   1.3810 1.372570 1.926303 
1 1 1    2   10   32 o   8.2487   2.3967   28.606   62.491   61.082   90.217  -1.3480   86.642   9.0495   3.5397   7.4479   3.2321 1.601591 4.793322 
1 1 1    2   10   33 o   41.942   0.9568  1735.00   77.880  1769.23  111.592  1702.50  108.742   42.343   1.3577   41.541   1.3485 0.8016129 1.913556 
1 1 1    2   10   34 o   40.599   0.9926  1641.34   77.974  1564.88  113.136  1710.51  107.616   39.651   1.4699   41.546   1.3344 -1.894859 1.985221 
1 1 1    2   11    0 o   22.446   0.4267  485.988   18.524  454.150   24.940  525.163   27.664   21.631   0.5939   23.261   0.6127 -1.629751 0.8533139 
1 1 1    2   11    1 o   21.183   1.7944  443.783   70.198  463.791   87.882  408.511  116.682   21.857   2.0713   20.510   2.9307 1.346733 3.588816 
1 1 1    2   11    2 o  112.843   0.9401 12367.00  197.331 12383.03  246.166 12338.19  330.074  112.948   1.1228  112.739   1.5082 0.2087021 1.880266 
1 1 1    2   11    3 o  434.017   1.5713 182770.50  1322.71 179942.30  1827.16 185884.50  1917.28  430.495   2.1865  437.540   2.2574 -7.044983 3.142668 
1 1 1    2   11    4 o  323.195   1.4089 101443.90  882.040 101714.40  1209.35 101136.40  1289.27  323.660   1.9248  322.730   2.0580 0.9299316 2.817853 
1 1 1    2   11    5 o  184.975   1.0569 33221.11  379.516 33257.89  536.195 33184.18  537.240  185.077   1.4925  184.872   1.4970 0.2054291 2.113899 
1 1 1    2   11    6 o  106.370   0.7404 10984.66  152.723 10968.08  220.974 10999.82  211.314  106.293   1.0710  106.448   1.0226 -0.1546249 1.480797 
1 1 1    2   11    7 o   35.680   0.4574  1245.90   30.555  1275.74   38.674  1196.33   49.843   36.254   0.5495   35.107   0.7314 1.147015 0.9148352 
1 1 1    2   11    8 o  129.029   0.8445 16170.98  211.298 15936.70  304.583 16388.34  293.374  128.127   1.2246  129.931   1.1632 -1.804062 1.688979 
1 1 1    2   11    9 o  326.434   1.2220 103471.30  773.581 103910.00  1071.61 102993.90  1117.87  327.159   1.6874  325.710   1.7681 1.449188 2.444030 
1 1 1    2   11   10 o  150.623   1.0027 21970.81  289.797 21686.32  380.825 22362.20  446.678  149.469   1.3125  151.777   1.5161 -2.308426 2.005302 
1 1 1    2   11   11 o  164.323   0.9488 26210.21  302.636 26358.70  429.215 26063.41  426.779  164.785   1.3418  163.860   1.3417 0.9256439 1.897548 
1 1 1    2   11   12 o  128.567   0.8628 16044.99  215.316 16058.66  305.322 16031.47  303.690  128.621   1.2229  128.512   1.2174 0.1088715 1.725513 
1 1 1    2   11   13 o  152.475   1.0126 22558.98  297.083 22495.43  394.637 22642.10  451.324  152.229   1.3355  152.721   1.5224 -0.4921570 2.025122 
1 1 1    2   11   14 o  374.699   1.3335 136319.00  968.995 136383.50  1341.68 136248.80  1400.98  374.795   1.8441  374.604   1.9266 0.1906433 2.666948 
1 1 1    2   11   15 o  212.099   1.3294 43844.46  522.336 43133.73  878.502 44233.12  649.639  210.750   2.1474  213.447   1.5679 -2.697159 2.658863 
1 1 1    2   11   16 o  337.627   1.3069 110684.70  856.481 109705.20  1201.21 111697.70  1221.54  336.109   1.8411  339.146   1.8555 -3.037079 2.613884 
1 1 1    2   11   17 o   63.944   0.6364  3969.22   78.974  3972.21  112.847  3966.35  110.559   63.967   0.9088   63.920   0.8910 0.4690933E-01 1.272732 
1 1 1    2   11   18 o  151.772   1.0534 22365.13  310.319 22678.90  442.624 22061.83  435.186  152.818   1.4921  150.725   1.4874 2.093094 2.106805 
1 1 1    2   11   19 o   91.912   1.0159  8202.71  181.224  8373.04  258.984  8039.28  253.676   92.846   1.4370   90.977   1.4364 1.869278 2.031789 
1 1 1    2   11   20 o  114.552   0.8949 12743.29  198.976 12527.78  279.655 12964.26  283.167  113.571   1.2685  115.533   1.2626 -1.961906 1.789776 
1 1 1    2   11   21 o  114.928   0.9101 12830.46  203.047 12816.10  287.217 12844.80  287.087  114.864   1.2881  114.992   1.2861 -0.1287003 1.820274 
1 1 1    2   11   22 o  111.672   1.1633 12121.32  237.937 12131.73  411.495 12116.08  291.633  111.678   1.8982  111.667   1.3454 0.1099396E-01 2.326606 
1 1 1    2   11   23 o   85.772   0.8080  7147.14  134.522  7066.80  190.326  7227.33  190.159   85.290   1.1496   86.254   1.1357 -0.9642258 1.615977 
1 1 1    2   11   24 o   23.359   1.2235  527.378   54.819  651.337   81.024  422.731   74.446   25.878   1.6130   20.841   1.8402 5.036797 2.446997 
1 1 1    2   11   25 o   53.954   0.7685  2829.69   80.446  2739.22  114.051  2919.27  113.486   53.094   1.1066   54.813   1.0666 -1.719398 1.536926 
1 1 1    2   11   26 o   51.634   0.8096  2594.88   80.988  2530.56  117.446  2653.20  111.830   51.021   1.1858   52.248   1.1026 -1.227272 1.619253 
1 1 1    2   11   27 o   33.025   1.0408  1062.67   66.605  1047.98   96.713  1075.92   91.861   32.804   1.5188   33.245   1.4234 -0.4412003 2.081539 
1 1 1    2   11   28 o   48.376   0.8202  2278.75   76.924  2260.74  111.356  2295.20  106.388   48.189   1.1904   48.562   1.1286 -0.3733101 1.640353 
1 1 1    2   11   29 o   22.864   1.4397  512.815   63.762  525.892   93.727  501.549   86.995   23.128   2.0877   22.601   1.9829 0.5274925 2.879308 
1 1 1    2   11   30 o   28.395   1.1809  789.201   64.990  831.380   95.181  752.361   88.954   29.100   1.6849   27.689   1.6550 1.411909 2.361808 
1 1 1    2   11   31 o   26.606   1.2775  698.315   65.871  754.101   95.978  648.638   90.570   27.612   1.7907   25.599   1.8226 2.012100 2.555052 
1 1 1    2   11   32 o   18.167   1.8764  337.964   63.045  442.299   93.528  251.077   85.350   20.951   2.2997   15.383   2.9657 5.567342 3.752867 
1 1 1    2   11   33 o   40.279   0.9845  1607.19   76.751  1523.69  110.922  1683.90  106.310   39.240   1.4562   41.319   1.3254 -2.079365 1.969098 
1 1 1    2   11   34 o   9.8928   2.7149   89.474   78.661  136.377   98.197   5.4737  131.412   11.020   3.7923   8.7659   3.8860 2.253626 5.429782 
1 1 1    2   12    0 o  233.642   1.5764 53076.74  708.257 52443.56  1074.68 53562.92  941.701  232.403   2.3822  234.882   2.0654 -2.478790 3.152846 
1 1 1    2   12    1 o   75.844   0.8254  5582.15  121.489  5514.57  169.707  5653.20  173.996   75.373   1.1599   76.315   1.1745 -0.9414139 1.650719 
1 1 1    2   12    2 o  169.560   1.1754 27862.77  372.561 27733.02  467.076 28089.71  617.715  169.023   1.4236  170.097   1.8708 -1.073669 2.350830 
1 1 1    2   12    3 o  181.141   1.2085 31895.67  410.478 32010.55  517.891 31701.55  673.193  181.587   1.4692  180.695   1.9192 0.8916016 2.417037 
1 1 1    2   12    4 o  165.802   1.0051 26687.09  323.487 26420.88  455.102 26958.94  459.893  164.967   1.4212  166.638   1.4217 -1.671295 2.010241 
1 1 1    2   12    5 o  149.179   0.9439 21605.60  273.345 21433.15  385.187 21780.55  387.965  148.579   1.3355  149.779   1.3344 -1.199341 1.887897 
1 1 1    2   12    6 o   58.138   0.6733  3281.19   75.983  3235.73  107.427  3326.69  107.487   57.735   0.9585   58.541   0.9459 -0.8059540 1.346650 
1 1 1    2   12    7 o  316.267   1.3402 97205.96  821.549 95705.91  1190.19 98571.20  1135.44  313.930   1.9531  318.604   1.8359 -4.674866 2.680479 
1 1 1    2   12    8 o  333.218   1.3440 107730.80  861.737 108404.40  1309.91 107216.80  1144.19  334.127   2.0196  332.308   1.7737 1.818756 2.687930 
1 1 1    2   12    9 o  350.421   1.3242 119065.30  896.997 120820.40  1335.31 117622.10  1210.89  352.767   1.9500  348.075   1.7921 4.692566 2.648412 
1 1 1    2   12   10 o  281.833   1.1522 77103.55  630.365 77621.00  894.829 76593.78  888.151  282.771   1.6302  280.894   1.6288 1.877289 2.304487 
1 1 1    2   12   11 o   94.037   0.7343  8587.11  133.948  8476.35  192.380  8691.33  186.613   93.448   1.0605   94.626   1.0159 -1.177925 1.468625 
1 1 1    2   12   12 o  438.117   1.3857 186269.20  1178.00 189197.59  1695.80 183538.30  1637.61  441.442   1.9790  434.792   1.9403 6.649811 2.771446 
1 1 1    2   12   13 o  125.400   1.0656 15277.69  258.546 15108.50  380.176 15423.27  352.653  124.752   1.5699  126.047   1.4413 -1.294914 2.131170 
1 1 1    2   12   14 o  242.672   1.2967 57271.19  598.818 57666.36  775.284 56686.81  942.792  243.719   1.6387  241.625   2.0101 2.093994 2.593406 
1 1 1    2   12   15 o  111.924   0.8331 12159.66  180.998 11977.57  254.823 12345.06  257.132  111.078   1.1818  112.769   1.1746 -1.691238 1.666258 
1 1 1    2   12   16 o   70.007   0.7990  4734.22  104.655  4670.73  131.081  4845.85  173.810   69.365   0.9735   70.649   1.2674 -1.284409 1.598092 
1 1 1    2   12   17 o   98.087   0.7994  9340.83  152.208  9361.25  215.743  9320.60  214.768   98.194   1.1319   97.980   1.1292 0.2133255 1.598797 
1 1 1    2   12   18 o   56.657   0.7808  3080.74   82.605  2990.17  102.829  3245.55  138.706   55.498   0.9545   57.815   1.2359 -2.316956 1.561576 
1 1 1    2   12   19 f  161.210   1.0945 25245.89  342.512 25061.25  482.337 25433.70  486.460  160.616   1.5470  161.805   1.5488 -1.188934 2.189070 
1 1 1    2   12   20 o   99.521   0.8366  9617.42  161.440  9583.15  223.014  9655.15  234.004   99.336   1.1565   99.706   1.2090 -0.3696976 1.673125 
1 1 1    2   12   21 o   66.161   0.6876  4249.72   88.252  4273.77  127.171  4227.38  122.571   66.341   0.9875   65.981   0.9570 0.3600159 1.375133 
1 1 1    2   12   22 o   22.296   1.1882  483.410   51.297  482.414   75.232  484.276   70.126   22.273   1.7400   22.319   1.6186 -0.4573441E-01 2.376444 
1 1 1    2   12   23 o   50.793   0.7138  2500.88   70.239  2580.13  103.231  2432.57   95.845   51.540   1.0318   50.046   0.9866 1.493908 1.427586 
1 1 1    2   12   24 o   70.196   0.7504  4782.08  102.203  4965.53  147.319  4611.88  141.906   71.492   1.0615   68.899   1.0610 2.592880 1.500866 
1 1 1    2   12   25 o   31.610   1.0268  972.690   62.939  946.116   90.248  997.854   87.821   31.188   1.4907   32.033   1.4123 -0.8449669 2.053518 
1 1 1    2   12   26 o   52.798   0.7940  2710.07   81.285  2700.45  117.772  2718.82  112.329   52.707   1.1511   52.890   1.0941 -0.1829185 1.588098 
1 1 1    2   12   27 o   44.264   0.8577  1911.43   73.378  1839.11  107.716  1974.04  100.232   43.476   1.2763   45.053   1.1461 -1.577435 1.715389 
1 1 1    2   12   28 o   60.833   0.7792  3579.64   91.670  3848.98  137.133  3362.05  123.257   62.886   1.1234   58.780   1.0802 4.106133 1.558490 
1 1 1    2   12   29 o   67.051   0.8004  4382.12  104.134  4306.84  148.450  4455.04  146.112   66.479   1.1503   67.622   1.1131 -1.142807 1.600713 
1 1 1    2   12   30 o   49.084   0.8343  2350.85   79.350  2374.60  116.059  2330.01  108.735   49.309   1.2125   48.860   1.1464 0.4490852 1.668696 
1 1 1    2   12   31 o   17.749   1.8533  316.983   63.687  342.986   94.223  295.109   86.417   18.412   2.6363   17.086   2.6055 1.325182 3.706590 
1 1 1    2   12   32 o   9.1778   2.3294   61.236   60.408 -28.8562   88.804  138.829   82.414   6.9941   3.1411   11.362   3.4407 -4.367507 4.658826 
1 1 1    2   12   33 o   33.545   1.1254  1116.56   72.991  1135.39  108.528  1101.00   98.631   33.771   1.6555   33.319   1.5250 0.4521141 2.250855 
1 1 1    2   12   34 f   9.9509   2.8692   56.439   94.147  160.441  133.559 -46.2805  132.732   11.840   4.3821   8.0622   3.7051 3.777524 5.738473 
1 1 1    2   13    0 o  131.744   1.1622 16847.62  297.195 16641.19  417.632 17059.40  423.016  130.926   1.6432  132.561   1.6439 -1.634918 2.324355 
1 1 1    2   13    1 o  124.919   1.1199 15148.50  271.557 15069.47  382.483 15228.82  385.616  124.591   1.5815  125.247   1.5861 -0.6569595 2.239790 
1 1 1    2   13    2 o  181.714   1.2005 32177.72  409.638 32539.30  518.936 31579.88  667.268  183.080   1.4602  180.348   1.9060 2.732529 2.401044 
1 1 1    2   13    3 o  200.710   1.2526 39071.18  471.794 38942.65  594.956 39288.94  774.406  200.276   1.5304  201.143   1.9833 -0.8675232 2.505118 
1 1 1    2   13    4 o   68.830   0.6750  4562.77   85.054  4492.15  103.804  4707.02  148.368   68.028   0.7861   69.632   1.0976 -1.604485 1.350091 
1 1 1    2   13    5 o  219.514   1.1398 46775.49  485.629 45958.07  679.500 47628.93  694.305  217.554   1.6090  221.473   1.6150 -3.919037 2.279698 
1 1 1    2   13    6 o   97.076   0.7172  9146.58  135.139  9305.65  192.375  8991.61  189.880   97.909   1.0122   96.243   1.0164 1.666321 1.434398 
1 1 1    2   13    7 o  101.785   0.9225 10067.50  181.806  9914.66  265.709 10202.05  249.299  101.057   1.3545  102.513   1.2528 -1.456062 1.845018 
1 1 1    2   13    8 o   66.926   0.5654  4347.82   73.428  4341.17  105.169  4354.14  102.565   66.876   0.8101   66.976   0.7889 -0.9989166E-01 1.130764 
1 1 1    2   13    9 o  352.707   1.3641 120883.40  927.831 119821.00  1390.96 121735.20  1245.38  351.304   2.0397  354.111   1.8117 -2.806274 2.728148 
1 1 1    2   13   10 o   92.140   0.7100  8239.50  126.908  8270.54  183.156  8210.85  176.007   92.307   1.0222   91.974   0.9858 0.3334732 1.420097 
1 1 1    2   13   11 o  183.888   1.0028 32821.68  357.947 32439.92  503.271 33212.51  509.209  182.806   1.4182  184.970   1.4182 -2.164063 2.005639 
1 1 1    2   13   12 o  107.811   0.8822 11335.54  181.344 11576.37  236.663 10993.06  282.229  109.206   1.1164  106.417   1.3662 2.789505 1.764357 
1 1 1    2   13   13 o  393.066   1.3162 150002.50  1004.27 150312.30  1423.53 149695.59  1417.01  393.470   1.8638  392.662   1.8590 0.8077393 2.632418 
1 1 1    2   13   14 f  132.640   0.9847 17082.24  250.386 17099.64  329.252 17058.37  385.582  132.722   1.2780  132.558   1.4985 0.1641235 1.969418 
1 1 1    2   13   15 o  200.674   1.2488 39059.95  484.586 38638.23  655.550 39567.99  719.527  199.484   1.6929  201.863   1.8362 -2.379044 2.497524 
1 1 1    2   13   16 o  286.779   1.2414 79868.80  691.049 79607.80  976.023 80131.16  978.563  286.310   1.7561  287.249   1.7550 -0.9396973 2.482715 
1 1 1    2   13   17 o  147.966   1.0605 21279.62  300.250 21152.88  464.989 21370.24  393.214  147.581   1.6231  148.351   1.3654 -0.7699890 2.121066 
1 1 1    2   13   18 o  142.173   0.9814 19629.11  270.846 19595.61  384.796 19662.00  381.296  142.052   1.3955  142.293   1.3804 -0.2412415 1.962875 
1 1 1    2   13   19 o   40.000   0.6799  1549.48   52.628  1602.41   78.054  1505.36   71.263   40.624   0.9898   39.376   0.9323 1.248627 1.359756 
1 1 1    2   13   20 o  108.926   0.8620 11524.55  182.163 11501.46  262.047 11546.15  253.406  108.819   1.2405  109.033   1.1973 -0.2139206 1.724066 
1 1 1    2   13   21 o   74.867   0.7466  5441.74  108.451  5497.07  156.205  5390.24  150.690   75.234   1.0696   74.501   1.0420 0.7334900 1.493226 
1 1 1    2   13   22 o  166.483   1.2201 26952.67  394.284 26788.98  559.410 27114.25  555.810  165.979   1.7363  166.987   1.7147 -1.008484 2.440207 
1 1 1    2   13   23 o   40.664   0.7910  1608.85   62.179  1576.94   91.710  1635.99   84.591   40.288   1.1727   41.039   1.0618 -0.7508888 1.581971 
1 1 1    2   13   24 o   54.210   0.7250  2853.75   76.171  2875.76  111.164  2834.27  104.581   54.406   1.0526   54.015   0.9974 0.3911972 1.450087 
1 1 1    2   13   25 o   53.839   0.7722  2818.54   80.514  2792.39  117.681  2841.55  110.396   53.602   1.1310   54.077   1.0517 -0.4747009 1.544401 
1 1 1    2   13   26 o   54.060   0.7803  2839.24   81.751  2864.16  119.360  2817.23  112.199   54.281   1.1328   53.839   1.0736 0.4423599 1.560693 
1 1 1    2   13   27 o   66.952   0.7918  4355.13  102.753  4436.53  149.964  4283.09  141.072   67.538   1.1439   66.365   1.0951 1.172401 1.583530 
1 1 1    2   13   28 o   53.922   0.7997  2828.53   83.619  2869.17  121.351  2791.79  115.385   54.288   1.1515   53.557   1.1099 0.7312889 1.599317 
1 1 1    2   13   29 o   38.462   0.9233  1439.38   68.833  1523.69  100.707  1365.45   94.298   39.515   1.3129   37.409   1.2986 2.105961 1.846601 
1 1 1    2   13   30 f   50.331   0.8193  2473.76   79.937  2467.70  116.077  2479.23  110.243   50.264   1.1897   50.398   1.1269 -0.1334839 1.638634 
1 1 1    2   13   31 o   36.185   0.9934  1286.54   69.329  1285.43  104.066  1287.44   92.962   36.146   1.4832   36.224   1.3220 -0.7842255E-01 1.986833 
1 1 1    2   13   32 o   34.749   1.0243  1192.91   68.686  1169.98  102.252  1211.77   92.719   34.412   1.5307   35.086   1.3614 -0.6737862 2.048510 
1 1 1    2   13   33 o   48.266   0.9010  2298.90   84.014  2268.54  124.543  2324.26  113.809   47.935   1.3384   48.597   1.2064 -0.6623116 1.801917 
1 1 1    2   13   34 o   7.7684   2.5422 -69.8506   92.154 -132.9588  130.507  -7.0909  130.146   7.0108   3.3581   8.5260   3.8176 -1.515209 5.084392 
1 1 1    2   14    0 o   92.154   0.9494  8241.91  169.815  8085.11  237.881  8404.84  242.494   91.260   1.3428   93.047   1.3426 -1.786995 1.898831 
1 1 1    2   14    1 o  181.527   1.3281 31994.47  467.967 32255.63  664.231 31737.09  659.407  182.262   1.8774  180.791   1.8789 1.471008 2.656133 
1 1 1    2   14    2 f   91.296   0.9339  8091.75  165.502  8084.61  233.686  8098.92  234.425   91.256   1.3192   91.336   1.3222 -0.8068848E-01 1.867740 
1 1 1    2   14    3 o   99.960   0.8692  9707.88  161.492  9726.21  201.291  9674.78  270.531  100.096   1.0360   99.824   1.3961 0.2721558 1.738484 
1 1 1    2   14    4 o   78.055   1.3183  5936.04  127.096  5941.69  135.082  5892.47  375.204   78.236   0.8895   77.875   2.4820 0.3612671 2.636582 
1 1 1    2   14    5 f  128.728   1.0118 16087.40  242.835 16084.30  303.716 16092.90  404.317  128.717   1.2155  128.740   1.6179 -0.2323914E-01 2.023618 
1 1 1    2   14    6 o  136.426   0.8897 18060.38  235.548 17743.79  328.185 18396.73  338.273  135.194   1.2505  137.658   1.2659 -2.464584 1.779425 
1 1 1    2   14    7 o  135.156   0.9001 17732.43  236.139 17637.95  332.715 17828.33  335.200  134.793   1.2716  135.518   1.2742 -0.7254486 1.800140 
1 1 1    2   14    8 o  134.220   0.8802 17488.82  228.798 17466.33  334.948 17508.50  313.276  134.139   1.2863  134.301   1.2017 -0.1630249 1.760306 
1 1 1    2   14    9 o  193.970   1.0624 36523.53  398.624 36518.10  589.020 36528.12  541.456  193.955   1.5645  193.984   1.4379 -0.2903748E-01 2.124880 
1 1 1    2   14   10 o  123.827   0.9259 14881.81  220.942 14867.67  295.126 14899.84  333.254  123.761   1.2285  123.893   1.3857 -0.1321487 1.851816 
1 1 1    2   14   11 o  233.031   1.1594 52750.74  522.512 52315.45  771.357 53119.85  710.300  232.139   1.7118  233.922   1.5642 -1.782150 2.318831 
1 1 1    2   14   12 o  249.663   1.1415 60508.62  553.201 60180.36  779.137 60842.36  785.591  248.980   1.6121  250.346   1.6166 -1.365524 2.282987 
1 1 1    2   14   13 o  121.055   0.8708 14224.90  204.629 14365.83  290.336 14085.79  288.451  121.651   1.2295  120.460   1.2336 1.191597 1.741640 
1 1 1    2   14   14 o  145.260   0.9645 20485.42  271.289 20461.73  397.704 20506.03  371.008  145.180   1.4112  145.340   1.3150 -0.1590881 1.928927 
1 1 1    2   14   15 o  338.746   1.3269 111445.70  871.453 111775.30  1203.66 111082.60  1263.35  339.277   1.8276  338.216   1.9243 1.061462 2.653857 
1 1 1    2   14   16 f  218.499   1.1881 46353.93  502.362 46229.56  683.662 46499.90  740.651  218.186   1.6142  218.813   1.7437 -0.6273041 2.376148 
1 1 1    2   14   17 o   85.832   0.7580  7152.27  126.297  7229.51  179.080  7075.82  178.145   86.293   1.0691   85.371   1.0750 0.9223175 1.516067 
1 1 1    2   14   18 o  294.851   1.3464 84378.10  767.531 85463.07  1140.94 83481.20  1037.35  296.568   1.9819  293.134   1.8230 3.433075 2.692804 
1 1 1    2   14   19 o  102.956   0.8342 10295.78  166.601 10245.59  239.963 10342.49  231.485  102.712   1.2035  103.199   1.1555 -0.4869308 1.668453 
1 1 1    2   14   20 o  149.967   1.0841 21853.33  315.587 21863.04  448.854 21843.85  443.803  149.999   1.5415  149.936   1.5248 0.6399536E-01 2.168269 
1 1 1    2   14   21 o  122.186   0.9662 14505.01  229.144 14548.78  326.420 14462.48  321.746  122.367   1.3742  122.005   1.3585 0.3619995 1.932369 
1 1 1    2   14   22 o   29.692   0.9309  854.053   53.478  886.956   79.468  826.820   72.298   30.212   1.3550   29.172   1.2767 1.040272 1.861746 
1 1 1    2   14   23 o   75.522   0.7610  5542.12  111.505  5489.44  159.990  5591.87  155.491   75.172   1.0964   75.873   1.0557 -0.7004700 1.522067 
1 1 1    2   14   24 o   40.423   0.8165  1589.50   63.908  1563.66   93.371  1612.27   87.659   40.111   1.1992   40.734   1.1086 -0.6226654 1.633087 
1 1 1    2   14   25 o   91.011   1.0926  7990.85  182.488  7850.58  223.216  8273.57  316.892   89.855   1.2797   92.168   1.7712 -2.312813 2.185146 
1 1 1    2   14   26 o   93.043   0.9062  8415.60  163.589  8539.79  235.606  8300.00  227.316   93.704   1.2953   92.383   1.2676 1.320923 1.812317 
1 1 1    2   14   27 o   71.985   0.8057  5038.94  112.464  5073.94  163.150  5007.26  155.242   72.219   1.1638   71.750   1.1146 0.4692383 1.611432 
1 1 1    2   14   28 o   55.228   0.7947  2972.80   85.024  2906.40  123.442  3032.74  117.280   54.634   1.1639   55.821   1.0823 -1.186951 1.589404 
1 1 1    2   14   29 o   56.402   0.8009  3088.54   87.487  3274.52  129.179  2930.95  118.909   57.961   1.1481   54.843   1.1169 3.118729 1.601798 
1 1 1    2   14   30 o   67.290   0.8093  4411.80  105.351  4538.42  156.462  4306.79  142.494   68.157   1.1826   66.423   1.1051 1.734573 1.618585 
1 1 1    2   14   31 o   46.375   0.8564  2092.24   76.665  2237.33  115.990  1979.68  102.161   47.779   1.2506   44.971   1.1703 2.808262 1.712760 
1 1 1    2   14   32 o   23.878   1.4554  579.333   66.278  520.807  100.230  624.811   88.353   22.707   2.2739   25.049   1.8171 -2.341825 2.910752 
1 1 1    2   14   33 o   10.318   2.5701  109.262   66.518   60.120  101.094  146.781   88.334   9.1473   3.6910   11.490   3.5775 -2.342280 5.140226 
1 1 1    2   15    0 o  224.146   1.4539 48746.79  632.191 47487.13  875.430 50119.64  913.916  221.124   2.0395  227.168   2.0725 -6.044128 2.907710 
1 1 1    2   15    1 o  136.430   1.1914 18067.73  315.441 17832.79  439.917 18316.36  452.554  135.518   1.6723  137.342   1.6975 -1.824173 2.382843 
1 1 1    2   15    2 o   65.669   0.7331  4186.67   93.440  4226.20  131.784  4146.71  132.508   65.981   1.0289   65.357   1.0444 0.6236343 1.466118 
1 1 1    2   15    3 o  129.051   1.0161 16102.96  243.611 15940.87  302.613 16401.41  410.643  128.139   1.2166  129.964   1.6277 -1.824524 2.032119 
1 1 1    2   15    4 o  120.814   0.9751 14089.11  218.486 13898.23  270.596 14446.65  370.332  119.651   1.1650  121.978   1.5640 -2.327347 1.950256 
1 1 1    2   15    5 o  216.801   1.3074 45466.06  530.806 44982.07  666.168 46307.71  878.475  215.240   1.5944  218.361   2.0725 -3.121094 2.614812 
1 1 1    2   15    6 o  153.528   1.1364 22856.93  324.308 22786.80  403.782 22984.39  544.379  153.204   1.3577  153.852   1.8228 -0.6475830 2.272869 
1 1 1    2   15    7 o  115.808   0.8333 13018.44  187.321 13132.36  265.710 12905.88  264.121  116.312   1.1768  115.305   1.1800 1.007408 1.666555 
1 1 1    2   15    8 o  123.679   0.8415 14849.15  201.764 14829.81  292.988 14866.58  278.255  123.602   1.2211  123.756   1.1583 -0.1538544 1.683077 
1 1 1    2   15    9 f  202.684   1.0892 39857.75  426.846 40111.02  633.346 39646.97  577.777  203.273   1.6051  202.096   1.4728 1.176666 2.178384 
1 1 1    2   15   10 o  299.410   1.2584 87009.10  727.046 87208.25  1089.84 86849.40  975.959  299.716   1.8732  299.105   1.6809 0.6103516 2.516816 
1 1 1    2   15   11 o  386.288   1.3984 144780.59  1044.60 145926.30  1549.19 143825.41  1414.55  387.684   2.0586  384.893   1.8933 2.791046 2.796805 
1 1 1    2   15   12 o  183.171   1.1077 32571.59  393.852 32535.25  558.554 32607.52  555.441  183.069   1.5718  183.273   1.5613 -0.2034607 2.215387 
1 1 1    2   15   13 o   52.655   0.5810  2691.81   59.367  2664.58   84.818  2717.95   83.122   52.394   0.8340   52.916   0.8092 -0.5222054 1.162023 
1 1 1    2   15   14 o  295.312   1.2376 84670.56  709.415 84024.98  998.808 85327.80  1007.78  294.176   1.7491  296.448   1.7513 -2.271698 2.475118 
1 1 1    2   15   15 o  277.768   1.5425 74914.94  831.559 76508.03  1188.28 73386.02  1164.10  280.661   2.1811  274.875   2.1817 5.786072 3.084929 
1 1 1    2   15   16 o  160.469   1.0855 24960.57  334.545 24699.96  441.017 25313.80  513.433  159.490   1.4245  161.448   1.6383 -1.957932 2.170968 
1 1 1    2   15   17 o   78.443   0.7209  5973.63  109.766  5887.31  154.844  6060.82  155.624   77.873   1.0243   79.012   1.0146 -1.139359 1.441796 
1 1 1    2   15   18 o  106.021   0.8287 10914.47  170.521 10918.81  243.313 10910.28  239.049  106.041   1.1820  106.000   1.1618 0.4062653E-01 1.657365 
1 1 1    2   15   19 o  172.276   1.2737 28829.25  417.104 28925.89  661.146 28765.34  537.589  172.492   1.9745  172.060   1.6096 0.4318542 2.547437 
1 1 1    2   15   20 o  101.704   0.9672 10038.53  185.004 10007.68  234.086 10089.86  301.955  101.508   1.1880  101.901   1.5265 -0.3929520 1.934307 
1 1 1    2   15   21 o   82.078   0.7762  6543.21  123.669  6560.62  175.448  6526.01  174.345   82.186   1.0997   81.969   1.0957 0.2169037 1.552408 
1 1 1    2   15   22 o   65.686   0.7190  4193.48   91.559  4129.39  132.397  4252.22  126.755   65.204   1.0460   66.169   0.9868 -0.9652252 1.438057 
1 1 1    2   15   23 o   75.899   0.7634  5596.84  112.403  5575.14  161.830  5617.07  156.241   75.755   1.1005   76.042   1.0585 -0.2868652 1.526888 
1 1 1    2   15   24 o   43.849   1.0824  1871.15   91.869  1858.33  134.881  1882.24  125.472   43.705   1.5898   43.993   1.4693 -0.2878380 2.164800 
1 1 1    2   15   25 o   66.415   0.9628  4331.56  118.217  4430.62  147.263  4152.03  198.254   67.516   1.1236   65.315   1.5637 2.200630 1.925507 
1 1 1    2   15   26 o   70.548   0.9795  4820.62  127.525  4772.79  157.202  4912.68  218.086   70.065   1.1558   71.032   1.5816 -0.9668808 1.958966 
1 1 1    2   15   27 o   74.597   0.8148  5415.35  117.868  5385.13  170.236  5443.16  163.357   74.393   1.1788   74.801   1.1250 -0.4081573 1.629522 
1 1 1    2   15   28 o   25.566   1.2640  638.481   61.880  645.221   95.929  633.679   80.980   25.666   1.9254   25.467   1.6381 0.1985931 2.527965 
1 1 1    2   15   29 o   33.767   1.0114  1117.68   65.786  1083.77   98.507  1144.99   88.386   33.288   1.5245   34.246   1.3296 -0.9586143 2.022796 
1 1 1    2   15   30 f   49.634   0.8161  2403.63   78.045  2431.59  118.097  2381.95  103.989   49.871   1.2199   49.397   1.0845 0.4740715 1.632267 
1 1 1    2   15   31 f   37.245   0.9552  1361.88   68.619  1360.51  102.963  1362.98   92.039   37.205   1.4257   37.286   1.2716 -0.8148575E-01 1.910382 
1 1 1    2   15   32 o   40.079   0.9478  1576.44   73.170  1624.31  111.291  1540.00   97.108   40.581   1.4128   39.577   1.2640 1.004284 1.895670 
1 1 1    2   15   33 o   21.553   1.6163  466.416   67.022  546.123  103.278  408.428   88.090   23.108   2.3024   19.998   2.2692 3.109743 3.232675 
1 1 1    2   16    0 o   29.303   0.4854  833.808   27.595  865.794   39.001  801.741   39.050   29.866   0.6727   28.740   0.7000 1.126080 0.9708354 
1 1 1    2   16    1 o   46.514   0.5762  2099.51   52.020  2065.17   72.738  2135.46   74.426   46.125   0.8124   46.903   0.8174 -0.7783279 1.152465 
1 1 1    2   16    2 o   72.839   0.8016  5150.20  113.325  5122.81  158.808  5178.62  161.764   72.642   1.1262   73.037   1.1410 -0.3943558 1.603174 
1 1 1    2   16    3 o   53.579   0.6413  2785.48   66.673  2749.20   92.704  2824.34   95.961   53.218   0.8974   53.940   0.9165 -0.7222252 1.282651 
1 1 1    2   16    4 o  283.345   1.5964 77814.90  839.614 77417.89  1043.08 78545.53  1415.02  282.351   1.9031  284.339   2.5637 -1.988281 3.192832 
1 1 1    2   16    5 o  143.834   1.0909 20034.99  292.216 19905.24  364.399 20268.76  489.111  143.190   1.3110  144.478   1.7440 -1.288010 2.181773 
1 1 1    2   16    6 o  146.633   1.0991 20847.15  300.608 20776.76  375.896 20972.06  500.693  146.295   1.3236  146.971   1.7550 -0.6754456 2.198190 
1 1 1    2   16    7 o  108.691   0.9323 11414.19  187.320 11293.97  231.282 11643.40  319.363  107.866   1.1046  109.517   1.5022 -1.651222 1.864613 
1 1 1    2   16    8 o   32.418   0.5598  1020.03   35.227  1029.13   49.937  1011.01   49.700   32.562   0.7900   32.274   0.7933 0.2879601 1.119598 
1 1 1    2   16    9 o  179.654   1.0315 31322.71  358.545 31426.51  529.340 31234.71  487.374  179.928   1.5156  179.380   1.3997 0.5479736 2.062996 
1 1 1    2   16   10 o  147.928   0.9477 21243.03  271.565 21224.28  397.029 21259.52  372.268  147.866   1.3832  147.990   1.2959 -0.1239319 1.895398 
1 1 1    2   16   11 o  194.497   1.0946 36774.29  412.040 36013.17  603.162 37440.29  564.210  192.605   1.6132  196.388   1.4800 -3.782379 2.189283 
1 1 1    2   16   12 o  209.309   1.1264 42549.10  456.082 42312.22  672.794 42750.50  620.383  208.768   1.6602  209.850   1.5229 -1.082458 2.252900 
1 1 1    2   16   13 o  203.003   1.0796 40005.51  425.421 39784.66  599.364 40229.74  603.933  202.439   1.5252  203.568   1.5283 -1.129105 2.159181 
1 1 1    2   16   14 o  215.281   1.1243 44996.24  469.829 45217.73  666.362 44777.30  662.531  215.807   1.5907  214.754   1.5893 1.053513 2.248561 
1 1 1    2   16   15 o  121.928   0.8828 14433.43  208.947 14341.17  296.028 14525.04  294.965  121.540   1.2547  122.317   1.2423 -0.7770004 1.765672 
1 1 1    2   16   16 o  134.483   0.9524 17550.73  248.035 17708.20  364.323 17414.68  338.634  135.043   1.3898  133.923   1.3026 1.120209 1.904807 
1 1 1    2   16   17 o  110.963   0.9584 11930.97  201.846 11838.14  259.063 12074.39  321.997  110.420   1.2086  111.506   1.4876 -1.086258 1.916705 
1 1 1    2   16   18 o  106.166   0.8540 10940.21  175.916 10788.11  244.458 11103.58  253.346  105.402   1.1948  106.930   1.2205 -1.528831 1.707982 
1 1 1    2   16   19 o   56.393   0.6568  3085.37   71.788  3128.96  104.833  3046.89   98.509   56.767   0.9513   56.019   0.9059 0.7484131 1.313652 
1 1 1    2   16   20 o  106.316   1.0665 10977.08  219.980 11153.36  317.245 10813.81  305.297  107.137   1.5254  105.496   1.4908 1.640739 2.132940 
1 1 1    2   16   21 o   64.071   0.7089  3982.06   88.093  3757.37  122.462  4223.02  126.816   62.200   1.0143   65.942   0.9907 -3.742596 1.417820 
1 1 1    2   16   22 o   56.357   0.7000  3088.33   76.290  3041.23  112.441  3128.50  103.852   55.957   1.0352   56.757   0.9426 -0.8005753 1.400011 
1 1 1    2   16   23 o  136.527   1.2098 18132.19  320.629 18091.98  454.331 18172.08  452.552  136.375   1.7162  136.678   1.7057 -0.3034210 2.419671 
1 1 1    2   16   24 o  108.811   0.9797 11505.79  206.859 11724.17  297.774 11302.11  287.577  109.807   1.3970  107.815   1.3741 1.991394 1.959496 
1 1 1    2   16   25 o   38.515   1.1920  1443.48   88.856  1456.05  131.029  1432.78  120.905   38.666   1.7457   38.365   1.6235 0.3013420 2.383941 
1 1 1    2   16   26 o  127.046   1.1461 15720.24  282.638 15663.61  400.986 15776.15  398.447  126.817   1.6289  127.276   1.6127 -0.4591217 2.292183 
1 1 1    2   16   27 o   33.541   1.0306  1089.98   66.528  1143.59  101.895  1050.16   87.834   34.248   1.5327   32.833   1.3781 1.414593 2.061145 
1 1 1    2   16   28 f   60.172   0.7799  3523.05   90.839  3554.11  133.889  3496.56  123.651   60.411   1.1417   59.933   1.0628 0.4775810 1.559865 
1 1 1    2   16   29 o   42.938   0.8565  1790.96   71.072  1874.52  106.581  1724.06   95.372   43.828   1.2527   42.047   1.1685 1.781113 1.713084 
1 1 1    2   16   30 o   26.106   1.2501  685.222   61.795  598.656   94.729  749.346   81.531   24.589   1.9846   27.623   1.5205 -3.033922 2.500103 
1 1 1    2   16   31 o   17.950   1.8023  327.433   62.004  312.123   94.075  339.192   82.444   17.514   2.7671   18.386   2.3099 -0.8728161 3.604553 
1 1 1    2   16   32 o   22.997   1.4859  522.617   65.728  615.417  101.282  455.100   86.390   24.725   2.1102   21.269   2.0925 3.456608 2.971785 
1 1 1    2   16   33 o   10.076   2.5992  102.218   65.368  104.723  102.082  100.478   85.106   10.260   3.8244   9.8925   3.5209 0.3678131 5.198310 
1 1 1    2   17    0 o   66.508   0.7600  4294.06   98.109  4294.99  137.882  4293.11  139.630   66.515   1.0679   66.501   1.0817 0.1470947E-01 1.519973 
1 1 1    2   17    1 o   68.230   0.7571  4519.09  100.263  4511.69  140.696  4526.72  142.917   68.173   1.0632   68.286   1.0782 -0.1132889 1.514192 
1 1 1    2   17    2 o   99.255   0.9909  9564.55  190.925  9554.46  269.743  9574.68  270.276   99.202   1.4008   99.307   1.4020 -0.1049271 1.981883 
1 1 1    2   17    3 o  217.303   1.4704 45845.38  620.078 45252.94  864.918 46471.90  889.443  215.860   2.0641  218.746   2.0947 -2.885941 2.940784 
1 1 1    2   17    4 o   44.513   0.5736  1924.18   49.544  1984.64   69.863  1863.02   70.271   45.217   0.7959   43.810   0.8263 1.407471 1.147298 
1 1 1    2   17    5 o   59.958   0.6901  3489.27   80.239  3482.69  110.935  3496.49  116.198   59.899   0.9541   60.017   0.9974 -0.1181908 1.380227 
1 1 1    2   17    6 o  177.263   1.2265 30483.90  405.983 30424.21  508.609 30588.73  673.985  177.031   1.4800  177.496   1.9561 -0.4649353 2.452938 
1 1 1    2   17    7 o  164.307   1.1881 26073.20  363.885 25732.39  453.594 26688.56  609.505  162.813   1.4352  165.801   1.8938 -2.987915 2.376158 
1 1 1    2   17    8 o   69.129   0.6982  4628.62   89.236  4606.04  110.344  4671.28  151.709   68.887   0.8252   69.372   1.1266 -0.4848404 1.396462 
1 1 1    2   17    9 o  265.762   1.2034 68543.24  617.598 68782.45  922.424 68348.89  831.470  266.180   1.7852  265.345   1.6143 0.8351135 2.406823 
1 1 1    2   17   10 o   86.617   0.7002  7284.78  117.654  7212.10  168.999  7353.13  163.895   86.198   1.0100   87.037   0.9701 -0.8389359 1.400400 
1 1 1    2   17   11 o   85.473   0.6938  7093.67  115.078  6975.66  164.073  7207.93  161.450   84.773   0.9970   86.173   0.9652 -1.400017 1.387673 
1 1 1    2   17   12 o  338.682   1.3403 111357.40  875.950 111480.90  1312.40 111258.20  1176.31  338.845   1.9953  338.518   1.7901 0.3261414 2.680568 
1 1 1    2   17   13 o  258.131   1.2396 64709.93  618.359 64493.78  918.193 64889.32  836.490  257.733   1.8353  258.529   1.6668 -0.7966309 2.479207 
1 1 1    2   17   14 o  144.104   1.0391 20164.20  286.720 20180.33  375.845 20141.75  443.457  144.176   1.3429  144.032   1.5861 0.1447296 2.078249 
1 1 1    2   17   15 o   92.225   0.9643  8258.05  172.629  8249.03  243.822  8267.12  244.447   92.174   1.3627   92.275   1.3647 -0.1010132 1.928552 
1 1 1    2   17   16 o   88.371   0.8918  7574.82  146.324  7555.94  181.958  7609.36  246.167   88.220   1.0625   88.522   1.4326 -0.3015594 1.783592 
1 1 1    2   17   17 o   25.067   0.9313  614.130   44.751  582.498   67.908  638.412   59.497   24.492   1.4284   25.642   1.1953 -1.150545 1.862512 
1 1 1    2   17   18 o  206.679   1.3548 41507.09  538.565 41441.95  714.608 41592.73  819.393  206.511   1.7826  206.848   2.0407 -0.3369598 2.709639 
1 1 1    2   17   19 o  146.615   1.0595 20883.03  301.516 20659.93  424.494 21110.21  428.347  145.825   1.4996  147.406   1.4970 -1.580826 2.118903 
1 1 1    2   17   20 o  126.820   1.0108 15626.33  248.609 15631.38  344.406 15620.83  359.235  126.844   1.3987  126.796   1.4595 0.4824829E-01 2.021545 
1 1 1    2   17   21 o  140.591   1.3507 19112.70  351.852 19608.93  597.571 18849.37  435.311  141.934   2.1689  139.247   1.6105 2.686539 2.701417 
1 1 1    2   17   22 o   36.911   0.7890  1325.94   56.055  1303.74   84.577  1343.34   74.858   36.633   1.1894   37.189   1.0369 -0.5563545 1.577924 
1 1 1    2   17   23 o  117.948   0.9972 13521.88  228.284 13624.91  326.471 13423.31  319.332  118.386   1.4206  117.510   1.3999 0.8764191 1.994477 
1 1 1    2   17   24 o   56.339   0.7572  3089.21   82.540  3013.53  120.913  3155.25  112.951   55.689   1.1185   56.989   1.0210 -1.299885 1.514447 
1 1 1    2   17   25 o   43.709   0.8322  1843.84   70.115  1964.62  106.903  1752.66   92.884   44.953   1.2251   42.464   1.1268 2.488705 1.664490 
1 1 1    2   17   26 o   61.056   0.7943  3632.96   93.767  3515.40  137.544  3735.04  128.166   60.125   1.1785   61.986   1.0652 -1.860600 1.588503 
1 1 1    2   17   27 o   61.704   0.7798  3693.55   93.185  3858.89  137.562  3553.33  126.678   62.973   1.1253   60.434   1.0798 2.538361 1.559607 
1 1 1    2   17   28 o   26.792   1.2335  715.989   62.868  607.705   93.917  803.909   84.626   24.894   1.9435   28.689   1.5196 -3.795141 2.467042 
1 1 1    2   17   29 o   29.034   1.1410  823.415   63.998  850.324   95.928  801.832   85.913   29.450   1.6780   28.619   1.5464 0.8303585 2.281943 
1 1 1    2   17   30 f   47.783   0.8443  2202.89   77.623  2458.52  119.876  2018.32  101.861   50.126   1.2320   45.440   1.1548 4.686470 1.688591 
1 1 1    2   17   31 o   31.867   1.0730  996.883   65.903  1029.37   99.966  971.908   87.646   32.300   1.5944   31.433   1.4364 0.8662033 2.145978 
1 1 1    2   17   32 o   11.937   2.4700  159.346   63.113  106.820   95.264  200.436   84.258   10.350   3.7206   13.525   3.2498 -3.175233 4.940048 
1 1 1    2   17   33 o   27.809   1.5371  778.054   81.785  727.154  105.730  853.880  129.048   26.777   2.0341   28.841   2.3050 -2.064093 3.074207 
1 1 1    2   18    0 o   60.816   0.6917  3588.57   81.639  3706.04  116.826  3476.45  114.132   61.788   0.9740   59.844   0.9825 1.944561 1.383461 
1 1 1    2   18    1 o   42.142   0.5605  1723.95   45.849  1760.64   64.968  1687.55   64.712   42.589   0.7858   41.696   0.7995 0.8935394 1.121063 
1 1 1    2   18    2 o  147.457   1.2516 21113.30  358.217 21097.77  503.154 21129.27  510.108  147.402   1.7585  147.511   1.7814 -0.1091309 2.503137 
1 1 1    2   18    3 o  250.296   1.5363 60835.83  746.268 60358.64  1043.29 61335.80  1067.91  249.292   2.1559  251.300   2.1892 -2.007233 3.072515 
1 1 1    2   18    4 o  140.579   1.0939 19139.29  285.691 19024.11  355.198 19350.35  480.798  139.988   1.3071  141.171   1.7545 -1.183548 2.187877 
1 1 1    2   18    5 o  120.139   0.9947 13964.28  221.802 13851.92  275.336 14171.98  374.349  119.456   1.1874  120.822   1.5961 -1.365616 1.989344 
1 1 1    2   18    6 o  285.231   1.4635 78858.83  785.732 78455.52  994.877 79527.42  1280.96  284.275   1.8029  286.187   2.3058 -1.912109 2.926954 
1 1 1    2   18    7 o  319.226   1.6396 98345.19  950.895 97266.62  1153.32 100634.70  1680.36  316.529   1.8770  321.923   2.6890 -5.394135 3.279295 
1 1 1    2   18    8 o  103.930   0.9183 10455.28  177.071 10384.85  219.771 10585.59  298.948  103.435   1.0946  104.426   1.4748 -0.9916992 1.836564 
1 1 1    2   18    9 o  163.821   1.1721 26053.04  372.722 25987.78  526.666 26118.52  527.552  163.615   1.6582  164.027   1.6569 -0.4110718 2.344125 
1 1 1    2   18   10 o  268.060   1.2577 69778.03  654.245 68898.73  933.461 70627.03  917.237  266.399   1.8051  269.721   1.7519 -3.322571 2.515426 
1 1 1    2   18   11 o  167.309   1.0106 27149.90  327.163 27460.48  483.640 26887.89  444.225  168.189   1.4814  166.428   1.3750 1.760635 2.021168 
1 1 1    2   18   12 o  269.155   1.2454 70350.56  647.457 70175.46  964.441 70494.22  873.572  268.847   1.8480  269.465   1.6701 -0.6179199 2.490837 
1 1 1    2   18   13 o  276.699   1.2708 74346.27  679.275 74254.10  1011.48 74421.98  916.766  276.537   1.8843  276.860   1.7058 -0.3226318 2.541697 
1 1 1    2   18   14 o  143.764   1.0057 20027.79  278.202 20350.43  423.974 19783.84  368.670  144.777   1.5086  142.752   1.3304 2.024475 2.011447 
1 1 1    2   18   15 o   74.635   0.6750  5405.54   97.739  5468.10  140.896  5347.52  135.697   75.051   0.9671   74.220   0.9419 0.8316727 1.349963 
1 1 1    2   18   16 o   43.778   0.6415  1861.23   54.424  1847.89   79.128  1873.21   74.973   43.629   0.9343   43.927   0.8792 -0.2984276 1.282957 
1 1 1    2   18   17 o  170.620   1.0490 28273.04  347.417 28116.45  491.791 28429.04  490.853  170.148   1.4890  171.092   1.4779 -0.9440308 2.097942 
1 1 1    2   18   18 o   30.488   1.0056  845.453   52.881  1029.40  106.168  784.758   60.985   32.548   1.6804   28.428   1.1051 4.120533 2.011193 
1 1 1    2   18   19 o  114.927   1.0635 12867.80  232.332 13007.00  300.447 12660.76  366.424  115.715   1.3376  114.140   1.6538 1.575562 2.126992 
1 1 1    2   18   20 f   93.106   0.9525  8468.35  166.274  8239.20  271.224  8606.32  210.462   92.079   1.5174   94.133   1.1518 -2.053200 1.905018 
1 1 1    2   18   21 o   94.140   0.8428  8609.62  153.990  8378.44  217.236  8843.11  218.316   92.869   1.2050   95.411   1.1788 -2.542351 1.685691 
1 1 1    2   18   22 o   37.377   0.9735  1387.08   65.011  1281.28  115.330  1436.35   78.707   36.299   1.6367   38.454   1.0544 -2.154957 1.946969 
1 1 1    2   18   23 o   83.142   0.9669  6758.05  150.914  6874.34  191.412  6567.00  245.336   84.110   1.1723   82.175   1.5380 1.935638 1.933868 
1 1 1    2   18   24 o   92.623   0.8961  8341.58  161.078  8235.52  229.687  8444.22  225.956   92.042   1.2855   93.205   1.2489 -1.163078 1.792295 
1 1 1    2   18   25 o   39.058   0.8705  1496.22   65.276  1376.86   97.431  1593.44   87.927   37.626   1.3340   40.489   1.1187 -2.863281 1.740964 
1 1 1    2   18   26 o   65.411   0.9595  4120.25  116.056  4024.23  142.939  4306.01  198.806   64.330   1.1447   66.493   1.5402 -2.163193 1.919004 
1 1 1    2   18   27 o   50.822   0.8009  2510.28   78.814  2560.51  116.083  2467.33  107.348   51.289   1.1660   50.355   1.0982 0.9336700 1.601729 
1 1 1    2   18   28 o  102.141   0.9727 10180.91  192.803 10195.57  276.173 10166.97  269.288  102.206   1.3920  102.076   1.3590 0.1301422 1.945404 
1 1 1    2   18   29 o   10.384   2.4215   95.583   59.164  158.566   88.849   45.405   79.304   12.326   3.5318   8.4410   3.3138 3.885028 4.843063 
1 1 1    2   18   30 o   39.118   0.9364  1503.15   70.640  1469.74  105.465  1530.33   95.134   38.699   1.4039   39.537   1.2396 -0.8375282 1.872817 
1 1 1    2   18   31 o   15.352   2.1762  250.710   61.926  250.243   95.394  251.051   81.413   15.239   3.3188   15.464   2.8158 -0.2249641 4.352374 
1 1 1    2   18   32 o   13.057   2.2869  193.754   63.751   86.997   97.178  274.411   84.468   9.8045   3.7150   16.309   2.6681 -6.504234 4.573854 
1 1 1    2   18   33 f   42.482   1.3578  1830.34  111.267  1765.11  164.986  1884.75  150.693   41.677   2.0393   43.287   1.7934 -1.610054 2.715696 
1 1 1    2   19    0 o  217.592   1.4510 45975.27  612.815 45613.35  858.509 46351.26  875.030  216.720   2.0407  218.464   2.0634 -1.744492 2.902068 
1 1 1    2   19    1 o   73.558   0.8023  5252.80  114.553  5297.21  161.699  5208.05  162.309   73.870   1.1277   73.245   1.1416 0.6245193 1.604603 
1 1 1    2   19    2 o   97.092   1.0170  9150.80  191.659  9063.93  268.858  9240.56  273.290   96.623   1.4334   97.560   1.4431 -0.9367294 2.034004 
1 1 1    2   19    3 o   46.603   0.6105  2106.62   55.196  2204.20   79.143  2014.21   77.019   47.653   0.8556   45.553   0.8710 2.100010 1.220913 
1 1 1    2   19    4 o   93.433   0.9500  8474.58  172.290  8527.29  243.419  8421.68  243.891   93.724   1.3379   93.142   1.3489 0.5823288 1.899917 
1 1 1    2   19    5 o   56.344   0.6828  3079.95   74.664  3014.71  104.122  3149.00  107.123   55.730   0.9625   56.958   0.9689 -1.227699 1.365671 
1 1 1    2   19    6 o   99.022   0.8894  9414.71  162.499  9194.77  199.626  9846.70  279.768   97.328   1.0566  100.716   1.4310 -3.388023 1.778808 
1 1 1    2   19    7 f  265.078   1.4458 68001.80  719.692 67377.24  907.075 69063.03  1182.39  263.449   1.7737  266.707   2.2838 -3.258026 2.891693 
1 1 1    2   19    8 f  247.820   1.4331 59577.34  666.215 59440.05  839.847 59810.34  1094.15  247.444   1.7485  248.197   2.2710 -0.7521210 2.866107 
1 1 1    2   19    9 o  338.621   1.4853 111429.00  968.574 112135.00  1293.21 110527.00  1461.77  339.852   1.9603  337.391   2.2319 2.460144 2.970539 
1 1 1    2   19   10 o  386.647   1.5852 145101.41  1186.83 144384.30  1620.21 145931.80  1743.41  385.622   2.1644  387.672   2.3167 -2.050446 3.170464 
1 1 1    2   19   11 o   39.708   0.6804  1548.36   50.927  1611.12   65.425  1451.87   81.122   40.741   0.8273   38.674   1.0806 2.066746 1.360878 
1 1 1    2   19   12 o   91.369   0.7514  8101.15  133.219  8184.82  191.661  8022.94  185.300   91.826   1.0752   90.913   1.0500 0.9123840 1.502865 
1 1 1    2   19   13 o  341.267   1.3773 113170.00  907.742 112315.10  1351.29 113873.00  1225.41  340.083   2.0469  342.451   1.8434 -2.367798 2.754613 
1 1 1    2   19   14 o   77.744   0.7910  5882.11  116.872  5940.29  151.044  5795.31  184.491   78.226   0.9947   77.262   1.2301 0.9636917 1.581950 
1 1 1    2   19   15 o   62.316   0.7497  3786.86   88.534  3850.24  114.009  3690.59  140.519   62.977   0.9326   61.654   1.1741 1.323082 1.499419 
1 1 1    2   19   16 o  196.685   1.4824 37587.11  565.972 37187.23  800.224 37987.37  800.586  195.637   2.1071  197.733   2.0858 -2.095612 2.964868 
1 1 1    2   19   17 o   36.902   0.7105  1324.03   50.579  1304.81   75.574  1339.61   68.071   36.659   1.0620   37.146   0.9440 -0.4870300 1.420939 
1 1 1    2   19   18 o   93.711   0.8016  8528.31  145.800  8505.62  207.436  8550.47  204.972   93.587   1.1418   93.834   1.1253 -0.2471695 1.603144 
1 1 1    2   19   19 o  116.425   0.9006 13162.83  203.492 13503.74  290.274 12833.39  285.352  117.907   1.2682  114.943   1.2789 2.964569 1.801116 
1 1 1    2   19   20 o  150.152   1.3091 21903.58  371.376 21830.39  473.294 22020.84  599.068  149.859   1.6270  150.445   2.0513 -0.5851898 2.618201 
1 1 1    2   19   21 o  102.726   0.9111 10253.17  181.672 10244.36  258.430 10261.79  255.443  102.682   1.2965  102.771   1.2804 -0.8867645E-01 1.822229 
1 1 1    2   19   22 o   74.031   0.7585  5328.95  108.862  5207.89  156.964  5441.14  151.109   73.219   1.1044   74.844   1.0401 -1.625397 1.517036 
1 1 1    2   19   23 o   67.892   0.9160  4500.23  112.894  4424.23  197.766  4536.97  137.499   67.447   1.5105   68.337   1.0365 -0.8906631 1.831948 
1 1 1    2   19   24 o  104.185   1.1083 10497.50  214.403 10343.85  265.882 10783.18  362.538  103.139   1.3280  105.231   1.7748 -2.091431 2.216634 
1 1 1    2   19   25 o   24.613   1.2827  584.918   60.647  626.209   93.954  555.423   79.407   25.346   1.9096   23.880   1.7130 1.465429 2.565320 
1 1 1    2   19   26 o   61.115   0.7727  3632.65   91.291  3623.93  135.310  3639.93  123.682   61.043   1.1419   61.188   1.0413 -0.1450119 1.545407 
1 1 1    2   19   27 o   28.542   1.1425  802.340   62.634  733.819   93.078  859.046   84.673   27.404   1.7497   29.680   1.4697 -2.275566 2.285057 
1 1 1    2   19   28 o   30.552   1.0840  909.593   63.948  939.037   96.153  886.241   85.631   30.985   1.5986   30.120   1.4646 0.8650494 2.168097 
1 1 1    2   19   29 o   38.406   0.9320  1435.14   68.966  1495.65  104.965  1389.17   91.485   39.101   1.3829   37.711   1.2497 1.390614 1.863929 
1 1 1    2   19   30 o   8.8692   2.4393   56.539   59.943   68.002   90.717   47.656   79.862   9.3123   3.5747   8.4261   3.3199 0.8862505 4.878550 
1 1 1    2   19   31 o   24.352   1.3880  601.811   64.177  528.285   97.616  657.785   85.172   22.938   2.1923   25.767   1.7028 -2.828327 2.775934 
1 1 1    2   19   32 o   9.0505   2.4587   60.291   65.439 -12.9816  100.368  114.467   86.304   7.6609   3.3961   10.440   3.5561 -2.779299 4.917313 
1 1 1    2   19   33 o   12.634   3.1452  191.038   96.104  173.118  143.305  205.684  129.555   12.230   4.5367   13.037   4.3574 -0.8072109 6.290353 
1 1 1    2   20    0 o  241.214   1.5127 56502.70  708.259 56444.77  995.739 56562.02  1007.63  241.090   2.1277  241.338   2.1508 -0.2488556 3.025399 
1 1 1    2   20    1 o   69.136   0.7748  4637.83  103.948  4558.54  144.937  4721.81  149.163   68.528   1.0895   69.744   1.1018 -1.216339 1.549515 
1 1 1    2   20    2 o  184.866   1.3774 33180.56  494.233 33049.23  692.351 33317.02  705.743  184.493   1.9332  185.238   1.9627 -0.7448425 2.754900 
1 1 1    2   20    3 o  287.800   1.7250 80581.95  960.205 78571.31  1409.53 82322.95  1311.62  284.437   2.5528  291.163   2.3206 -6.726440 3.449975 
1 1 1    2   20    4 o  191.097   1.4109 35455.77  523.369 35606.88  739.356 35304.02  740.959  191.505   1.9889  190.688   2.0017 0.8165588 2.821799 
1 1 1    2   20    5 o  186.076   1.2429 33550.55  432.352 33381.57  542.031 33846.14  716.863  185.439   1.5058  186.714   1.9779 -1.274948 2.485811 
1 1 1    2   20    6 o  319.517   1.6375 99314.59  958.660 99708.40  1176.70 98537.27  1653.21  320.478   1.8915  318.555   2.6735 1.923920 3.274940 
1 1 1    2   20    7 o  201.084   1.2968 39203.72  489.042 39059.77  616.066 39449.00  804.132  200.591   1.5822  201.577   2.0550 -0.9857635 2.593535 
1 1 1    2   20    8 o  200.797   1.3155 39058.46  494.383 38825.71  620.680 39462.41  817.681  199.987   1.5988  201.607   2.0894 -1.619812 2.630909 
1 1 1    2   20    9 o   50.252   0.7093  2451.09   69.189  2425.98   97.590  2476.47   98.110   49.993   1.0056   50.511   1.0006 -0.5175781 1.418618 
1 1 1    2   20   10 o   91.515   0.8704  8080.99  149.297  7946.70  187.343  8314.69  247.144   90.481   1.0666   92.549   1.3757 -2.068375 1.740738 
1 1 1    2   20   11 o  272.565   1.3694 72119.73  721.723 71988.41  978.164 72276.66  1069.25  272.297   1.8506  272.833   2.0189 -0.5360718 2.738722 
1 1 1    2   20   12 o  195.099   1.2516 36882.29  469.711 36422.82  621.813 37492.86  716.813  193.690   1.6538  196.507   1.8792 -2.816483 2.503264 
1 1 1    2   20   13 o  198.239   1.2784 38153.66  487.699 38114.29  648.390 38204.96  740.094  198.127   1.6859  198.351   1.9222 -0.2241364 2.556731 
1 1 1    2   20   14 o   61.273   0.6372  3643.75   75.741  3663.45  109.208  3625.49  105.136   61.432   0.9158   61.113   0.8862 0.3188171 1.274392 
1 1 1    2   20   15 o  137.139   0.9509 18258.80  252.811 18316.96  367.412 18206.51  348.402  137.344   1.3781  136.933   1.3107 0.4117584 1.901870 
1 1 1    2   20   16 o  107.150   0.8544 11130.02  177.399 11427.97  260.034 10870.62  242.629  108.489   1.2348  105.812   1.1813 2.676926 1.708792 
1 1 1    2   20   17 f   27.150   0.8893  704.709   46.283  784.747   72.694  650.145   60.021   28.426   1.3174   25.875   1.1950 2.551043 1.778628 
1 1 1    2   20   18 f  108.726   0.8849 11480.98  186.769 11519.82  265.137 11442.72  263.137  108.908   1.2541  108.543   1.2489 0.3647614 1.769894 
1 1 1    2   20   19 o  111.390   0.9420 12053.44  203.670 12045.34  289.188 12061.41  286.893  111.353   1.3379  111.428   1.3264 -0.7507324E-01 1.883909 
1 1 1    2   20   20 o  120.805   1.0357 14181.89  242.850 14263.45  345.858 14102.57  341.075  121.147   1.4707  120.463   1.4586 0.6838684 2.071324 
1 1 1    2   20   21 o  109.804   1.0846 11794.48  224.570 12045.90  287.151 11398.55  360.350  111.341   1.3286  108.267   1.7146 3.074165 2.169110 
1 1 1    2   20   22 o  125.970   1.0583 15426.21  258.478 15454.79  375.075 15400.36  356.702  126.076   1.5326  125.864   1.4599 0.2119980 2.116652 
1 1 1    2   20   23 o   87.896   1.0374  7438.79  167.981  7281.92  206.136  7748.86  289.821   86.557   1.2268   89.235   1.6731 -2.678253 2.074728 
1 1 1    2   20   24 o   69.868   0.9235  4728.22  122.065  4664.83  155.521  4829.91  196.987   69.275   1.1565   70.461   1.4402 -1.186096 1.847080 
1 1 1    2   20   25 o   36.708   0.9141  1309.55   64.805  1320.41   96.839  1300.74   87.212   36.842   1.3541   36.574   1.2284 0.2679901 1.828231 
1 1 1    2   20   26 o   56.516   0.7712  3100.44   84.172  3162.92  126.122  3050.27  113.026   57.023   1.1394   56.009   1.0396 1.014400 1.542390 
1 1 1    2   20   27 o   46.075   0.9638  2086.17   84.536  2162.33  110.454  1978.48  131.346   47.120   1.2076   45.031   1.5026 2.089382 1.927696 
1 1 1    2   20   28 o   53.759   0.7843  2817.99   81.588  2789.02  119.887  2842.98  111.351   53.493   1.1545   54.026   1.0618 -0.5324173 1.568540 
1 1 1    2   20   29 o   10.324   2.3605   99.741   61.583   0.1737   95.819  169.815   80.384   7.9547   3.4254   12.694   3.2486 -4.739381 4.720924 
1 1 1    2   20   30 o   19.098   1.6818  362.964   61.698  389.817   95.602  343.798   80.770   19.663   2.5047   18.534   2.2450 1.128866 3.363582 
1 1 1    2   20   31 o   11.534   2.2665  116.089   60.213  260.531   94.880   18.689   77.913   15.536   3.2505   7.5326   3.1595 8.003265 4.533044 
1 1 1    2   20   32 o   18.300   1.9293  356.489   65.523  310.909   97.910  393.460   88.180   16.953   3.0890   19.647   2.3122 -2.693745 3.858506 
1 1 1    2   20   33 o   31.810   1.6303  1046.00  100.420  1033.90  146.612  1056.69  137.825   31.562   2.3930   32.057   2.2148 -0.4952335 3.260633 
1 1 1    2   21    0 o  236.435   1.4451 54252.39  657.315 54086.96  872.578 54469.42  999.455  236.024   1.9045  236.845   2.1739 -0.8210754 2.890131 
1 1 1    2   21    1 o  122.473   1.1311 14561.60  268.906 14546.14  379.209 14577.24  381.381  122.407   1.5959  122.538   1.6033 -0.1306381 2.262207 
1 1 1    2   21    2 o  169.388   1.3620 27857.76  447.833 27936.20  630.758 27778.04  635.935  169.629   1.9156  169.147   1.9368 0.4814148 2.724074 
1 1 1    2   21    3 o   96.419   0.9852  9023.53  184.366  8975.17  258.121  9073.90  263.427   96.155   1.3829   96.682   1.4036 -0.5271759 1.970407 
1 1 1    2   21    4 o  331.934   1.7100 106984.40  1101.64 107027.70  1544.73 106939.50  1571.53  332.003   2.3969  331.864   2.4395 0.1392212 3.419949 
1 1 1    2   21    5 o  155.751   1.1549 23560.06  335.517 23589.00  420.025 23509.04  557.716  155.887   1.3880  155.615   1.8463 0.2718201 2.309836 
1 1 1    2   21    6 o  229.698   1.3701 51245.11  590.437 51313.68  745.090 51129.38  968.004  229.911   1.6695  229.484   2.1730 0.4273834 2.740275 
1 1 1    2   21    7 o   66.790   0.7079  4306.23   86.686  4258.68  106.076  4401.82  150.410   66.238   0.8250   67.341   1.1506 -1.102516 1.415809 
1 1 1    2   21    8 o  219.087   1.3626 46565.64  559.401 46466.23  704.089 46735.81  921.187  218.779   1.6579  219.396   2.1630 -0.6173706 2.725276 
1 1 1    2   21    9 o  228.038   1.4084 50585.41  603.232 50877.06  763.386 50100.50  984.320  228.925   1.7179  227.152   2.2323 1.772156 2.816775 
1 1 1    2   21   10 o  236.741   1.3056 54399.35  596.344 54277.07  799.993 54552.28  894.637  236.446   1.7430  237.036   1.9443 -0.5907745 2.611188 
1 1 1    2   21   11 o  214.010   1.2771 44479.54  526.936 44576.55  705.660 44357.25  792.230  214.278   1.6965  213.743   1.9094 0.5353241 2.554187 
1 1 1    2   21   12 o  164.155   1.1754 26131.25  369.198 25975.34  482.348 26351.80  573.704  163.569   1.5191  164.741   1.7940 -1.171890 2.350775 
1 1 1    2   21   13 o  144.841   1.1168 20301.29  308.437 20014.61  398.931 20727.36  486.332  143.579   1.4313  146.104   1.7148 -2.524689 2.233644 
1 1 1    2   21   14 o  133.042   1.0780 17230.25  272.820 17404.26  353.215 16972.90  429.538  133.883   1.3591  132.201   1.6738 1.682724 2.156089 
1 1 1    2   21   15 o   38.791   0.6850  1469.42   51.215  1371.98   75.529  1552.36   69.682   37.592   1.0350   39.989   0.8977 -2.396240 1.370069 
1 1 1    2   21   16 o  122.525   0.9115 14573.14  216.460 14655.34  315.269 14499.82  297.724  122.851   1.3220  122.200   1.2551 0.6507111 1.822914 
1 1 1    2   21   17 o   30.534   0.7987  904.815   46.621  908.405   72.591  902.295   60.823   30.584   1.2227   30.484   1.0279 0.1004429 1.597346 
1 1 1    2   21   18 o  106.163   0.8860 10948.07  182.542 11276.00  258.585 10622.32  257.724  107.749   1.2363  104.577   1.2696 3.171700 1.772073 
1 1 1    2   21   19 o   32.332   0.8122  1013.83   50.828  1033.29   75.089  997.379   69.052   32.617   1.1860   32.046   1.1100 0.5703621 1.624391 
1 1 1    2   21   20 o  128.134   1.0369 15956.24  257.898 15988.49  365.482 15924.24  363.969  128.263   1.4679  128.005   1.4648 0.2576294 2.073721 
1 1 1    2   21   21 o   88.426   0.8439  7598.98  144.815  7459.62  206.201  7734.62  203.427   87.625   1.2123   89.228   1.1745 -1.603218 1.687886 
1 1 1    2   21   22 o   38.678   1.0648  1451.16   79.812  1510.62  117.093  1399.56  109.075   39.415   1.5304   37.941   1.4810 1.474289 2.129645 
1 1 1    2   21   23 o  167.155   1.2610 27200.36  409.158 27069.39  580.709 27329.49  576.585  166.753   1.7940  167.558   1.7727 -0.8051147 2.522076 
1 1 1    2   21   24 o   41.127   0.8681  1649.91   68.338  1611.09  105.199  1678.24   89.886   40.701   1.3315   41.553   1.1143 -0.8520203 1.736269 
1 1 1    2   21   25 o   14.394   2.1439  229.194   59.102  108.590   91.946  314.109   77.152   10.854   3.6707   17.933   2.2163 -7.078908 4.287871 
1 1 1    2   21   26 o   65.566   0.7836  4179.73   99.354  4206.70  147.245  4157.19  134.618   65.754   1.1536   65.378   1.0607 0.3756485 1.567147 
1 1 1    2   21   27 o   11.485   2.4292  133.042   57.857  135.669   89.313  131.143   75.946   11.628   3.5934   11.342   3.2698 0.2861090 4.858426 
1 1 1    2   21   28 o   53.584   0.7963  2800.70   82.467  2773.07  122.102  2823.88  111.826   53.330   1.1795   53.838   1.0700 -0.5080605 1.592503 
1 1 1    2   21   29 o   46.380   0.8334  2091.23   74.529  2189.17  113.137  2016.15   99.061   47.320   1.2317   45.439   1.1231 1.880650 1.666822 
1 1 1    2   21   30 o   23.341   1.3977  540.190   62.952  554.994   94.841  528.532   84.167   23.599   2.0703   23.083   1.8784 0.5163269 2.795419 
1 1 1    2   21   31 o   9.2915   2.4314   76.522   59.988   33.803   93.227  106.708   78.366   8.4194   3.4876   10.164   3.3889 -1.744094 4.862877 
1 1 1    2   21   32 o   13.161   2.4653  198.829   64.353  162.876  100.805  223.559   83.605   12.031   3.8320   14.292   3.1026 -2.260514 4.930517 
1 1 1    2   21   33 o   22.596   2.3918  581.167   97.697  504.799  154.001  632.601  126.384   20.700   3.9771   24.492   2.6583 -3.792162 4.783678 
1 1 1    2   22    0 f  167.577   1.2177 27250.61  389.558 27198.24  506.655 27326.35  609.262  167.383   1.5593  167.770   1.8708 -0.3868103 2.435433 
1 1 1    2   22    1 o   32.516   0.5586  1026.51   35.246  1044.25   49.558  1008.34   50.138   32.800   0.7784   32.231   0.8014 0.5688667 1.117146 
1 1 1    2   22    2 o  120.970   1.1221 14206.95  263.480 14345.68  371.700 14066.85  373.541  121.564   1.5752  120.376   1.5986 1.187531 2.244227 
1 1 1    2   22    3 o  282.318   1.6237 77378.23  889.696 76946.41  1245.59 77828.03  1271.24  281.514   2.2793  283.121   2.3131 -1.606689 3.247423 
1 1 1    2   22    4 o  185.259   1.4068 33318.61  505.850 33237.32  710.006 33402.40  720.877  185.030   1.9768  185.488   2.0021 -0.4583282 2.813523 
1 1 1    2   22    5 o  281.907   1.6376 77163.30  896.006 77349.91  1257.52 76970.88  1276.99  282.254   2.2951  281.560   2.3364 0.6940613 3.275146 
1 1 1    2   22    6 o  259.299   1.4442 65158.45  703.354 64810.61  887.631 65745.38  1153.02  258.380   1.7697  260.218   2.2826 -1.838226 2.888313 
1 1 1    2   22    7 o  269.137   1.4781 70252.93  747.691 70030.19  945.044 70625.66  1222.52  268.578   1.8127  269.696   2.3352 -1.117340 2.956136 
1 1 1    2   22    8 o   70.028   0.7359  4751.81   95.400  4732.81  118.178  4787.36  161.640   69.828   0.8719   70.227   1.1857 -0.3995285 1.471744 
1 1 1    2   22    9 o  153.398   1.1770 22774.66  334.967 22610.24  415.650 23079.29  565.759  152.616   1.4030  154.180   1.8903 -1.564667 2.354101 
1 1 1    2   22   10 o  210.609   1.2701 43151.02  516.085 43886.38  695.767 42251.54  769.497  212.612   1.6858  208.607   1.9003 4.005371 2.540272 
1 1 1    2   22   11 o  140.705   1.0875 19270.14  292.348 19510.62  382.373 18931.78  453.570  141.767   1.3895  139.643   1.6733 2.124832 2.174944 
1 1 1    2   22   12 o   79.522   0.8101  6139.42  120.949  6141.35  152.761  6136.18  198.002   79.540   0.9894   79.503   1.2830 0.3697205E-01 1.620155 
1 1 1    2   22   13 o  159.840   1.1702 24779.44  357.254 24645.29  464.816 24973.08  558.436  159.319   1.5030  160.362   1.7939 -1.043152 2.340323 
1 1 1    2   22   14 o   57.060   0.7207  3185.76   77.841  3279.64  100.399  3044.30  123.249   58.124   0.8898   55.997   1.1338 2.127419 1.441326 
1 1 1    2   22   15 o  136.873   1.1556 18230.65  296.329 18332.98  373.599 18057.07  486.587  137.404   1.4007  136.343   1.8385 1.060684 2.311276 
1 1 1    2   22   16 o   74.614   0.8417  5408.39  117.794  5415.58  148.605  5396.25  193.211   74.685   1.0250   74.543   1.3352 0.1417770 1.683307 
1 1 1    2   22   17 o  103.925   1.0308 10471.20  202.576 10400.86  258.331 10583.54  326.451  103.483   1.2860  104.368   1.6113 -0.8845825 2.061605 
1 1 1    2   22   18 o  182.124   1.1541 32238.16  407.337 32166.16  593.078 32302.45  560.430  181.925   1.6794  182.324   1.5835 -0.3985138 2.308205 
1 1 1    2   22   19 o   69.881   0.6980  4744.93   94.585  4677.56  136.424  4807.29  131.251   69.402   1.0126   70.360   0.9610 -0.9577637 1.396031 
1 1 1    2   22   20 o   94.186   0.8817  8614.38  161.142  8757.77  231.789  8480.25  224.180   94.944   1.2577   93.429   1.2361 1.514885 1.763407 
1 1 1    2   22   21 o   37.827   1.0519  1389.00   76.747  1407.56  115.569  1374.36  102.650   38.049   1.5647   37.604   1.4062 0.4452934 2.103749 
1 1 1    2   22   22 o   50.026   0.7379  2432.25   71.546  2410.09  103.889  2452.24   98.676   49.808   1.0745   50.244   1.0117 -0.4363441 1.475857 
1 1 1    2   22   23 o  101.893   0.9525 10095.73  188.365  9916.20  267.311 10272.80  265.476  100.991   1.3635  102.795   1.3304 -1.804070 1.905069 
1 1 1    2   22   24 o   46.854   0.7998  2138.95   72.336  2081.12  107.332  2187.07   97.914   46.269   1.1950   47.440   1.0633 -1.170990 1.599563 
1 1 1    2   22   25 o   24.667   1.3150  605.913   60.966  536.774   96.015  652.618   78.915   23.446   2.1096   25.887   1.5704 -2.441133 2.629941 
1 1 1    2   22   26 o   30.411   1.1059  905.651   64.227  880.976   99.492  923.282   84.098   30.040   1.7062   30.782   1.4074 -0.7413254 2.211752 
1 1 1    2   22   27 o   50.561   0.7986  2491.04   77.998  2474.58  115.974  2504.64  105.396   50.400   1.1854   50.722   1.0704 -0.3224754 1.597191 
1 1 1    2   22   28 o   39.012   0.8954  1493.60   66.681  1438.05  103.153  1533.48   87.397   38.365   1.3851   39.660   1.1352 -1.295479 1.790875 
1 1 1    2   22   29 o   15.961   1.8942  252.662   56.751  310.442   89.221  213.401   73.546   17.582   2.6142   14.340   2.7420 3.241323 3.788479 
1 1 1    2   22   30 o   38.545   0.9287  1461.23   68.675  1432.96  104.913  1482.43   90.842   38.184   1.4154   38.905   1.2029 -0.7206116 1.857489 
1 1 1    2   22   31 o   10.283   2.4695   81.757   71.937  198.237   97.514 -57.3234  106.555   13.341   3.6567   7.2245   3.3199 6.116242 4.938941 
1 1 1    2   22   32 o   7.9767   2.4932  -5.6202   75.514  -7.0386  101.236  -3.8411  113.380   7.7473   3.4238   8.2061   3.6251 -0.4587302 4.986315 
1 1 1    2   23    0 o  267.224   1.5206 69332.37  783.247 69350.46  1047.55 69309.42  1179.51  267.268   2.0191  267.180   2.2742 0.8892822E-01 3.041210 
1 1 1    2   23    1 o  192.468   1.4054 35959.38  525.017 35662.76  736.445 36265.95  748.680  191.661   1.9794  193.275   1.9955 -1.613663 2.810740 
1 1 1    2   23    2 o  151.857   1.2854 22385.46  378.905 22215.54  532.901 22559.21  538.854  151.274   1.8147  152.440   1.8210 -1.165482 2.570859 
1 1 1    2   23    3 o   59.973   0.7349  3488.02   85.502  3401.94  118.433  3581.73  123.568   59.201   1.0306   60.745   1.0479 -1.544132 1.469759 
1 1 1    2   23    4 o  366.741   2.1661 130632.70  1521.48 130550.70  2351.40 130691.80  1995.53  366.624   3.3040  366.858   2.8022 -0.2339478 4.332286 
1 1 1    2   23    5 o  195.845   1.4439 37238.77  548.859 37307.78  771.034 37167.86  781.479  196.029   2.0262  195.661   2.0575 0.3687897 2.887740 
1 1 1    2   23    6 o  188.900   1.2741 34567.34  449.513 34370.12  562.762 34914.98  747.137  188.163   1.5407  189.636   2.0296 -1.473190 2.548170 
1 1 1    2   23    7 o  162.620   1.2065 25736.59  366.751 25909.93  461.083 25438.02  605.131  163.373   1.4539  161.868   1.9259 1.504745 2.413035 
1 1 1    2   23    8 o  186.104   1.3050 33708.26  453.760 33934.28  570.119 33317.65  749.492  186.964   1.5709  185.244   2.0843 1.720398 2.609962 
1 1 1    2   23    9 o  178.722   1.2908 30838.59  431.204 30382.55  539.229 31647.46  718.142  176.907   1.5702  180.537   2.0492 -3.630493 2.581611 
1 1 1    2   23   10 o   21.146   1.0458  421.677   42.133  373.206   53.664  499.571   68.028   19.607   1.4099   22.685   1.5449 -3.077435 2.091538 
1 1 1    2   23   11 o  159.140   1.1483 24608.95  349.356 24707.92  456.609 24469.20  542.560  159.530   1.4745  158.749   1.7606 0.7813721 2.296504 
1 1 1    2   23   12 o  207.799   1.2936 41912.26  517.027 41796.96  685.817 42064.08  786.942  207.475   1.7029  208.124   1.9479 -0.6487274 2.587249 
1 1 1    2   23   13 o  108.630   0.9859 11426.74  201.928 11329.14  256.138 11587.02  328.222  108.023   1.2215  109.236   1.5479 -1.212906 1.971790 
1 1 1    2   23   14 o   30.080   0.9906  879.096   57.797  864.593   82.986  892.758   80.544   29.839   1.4327   30.322   1.3684 -0.4827709 1.981210 
1 1 1    2   23   15 o  211.192   1.3307 43359.17  541.047 43571.30  721.391 43086.41  817.995  211.795   1.7546  210.589   2.0010 1.206116 2.661360 
1 1 1    2   23   16 o  125.543   1.0669 15287.16  254.129 15203.96  326.132 15415.77  405.473  125.119   1.3428  125.967   1.6582 -0.8476563 2.133711 
1 1 1    2   23   17 o   44.978   0.7957  1953.65   67.946  1913.57   86.997  2016.34  108.799   44.393   1.0096   45.564   1.2301 -1.171646 1.591327 
1 1 1    2   23   18 o   69.286   0.8257  4675.08  107.812  4715.67  137.242  4609.66  174.234   69.686   1.0146   68.887   1.3030 0.7989883 1.651376 
1 1 1    2   23   19 o   95.444   1.0420  8875.70  184.695  8932.24  230.270  8773.73  309.259   95.889   1.2371   94.999   1.6770 0.8902817 2.083947 
1 1 1    2   23   20 o   54.027   0.8157  2858.40   83.076  2936.32  106.345  2736.38  133.071   54.985   0.9963   53.069   1.2917 1.916451 1.631350 
1 1 1    2   23   21 o   78.359   0.9105  5987.02  134.231  6051.03  170.532  5882.79  217.630   78.923   1.1131   77.795   1.4411 1.128357 1.820955 
1 1 1    2   23   22 o  135.061   1.2800 17714.46  324.474 17594.98  408.954 17917.49  533.086  134.496   1.5664  135.626   2.0248 -1.129333 2.559991 
1 1 1    2   23   23 o   61.047   0.8889  3630.67  102.317  3656.07  130.295  3589.80  165.253   61.338   1.0943   60.756   1.4012 0.5816689 1.777849 
1 1 1    2   23   24 o   16.561   1.9640  273.609   61.200  318.409   87.477  230.660   85.652   18.048   2.4969   15.074   3.0323 2.974250 3.928005 
1 1 1    2   23   25 o   25.804   1.2333  654.576   59.762  626.828   96.650  671.752   76.042   25.342   1.9647   26.265   1.4914 -0.9235592 2.466670 
1 1 1    2   23   26 o   63.332   0.9315  3947.94  112.578  4162.91  148.736  3659.60  172.262   65.396   1.1717   61.269   1.4484 4.127396 1.862957 
1 1 1    2   23   27 o   29.756   1.2888  871.005   74.097  916.366  101.804  819.903  108.054   30.599   1.7139   28.913   1.9252 1.686604 2.577590 
1 1 1    2   23   28 o   51.616   0.9378  2613.46   92.006  2657.92  119.189  2547.90  144.729   52.197   1.1763   51.034   1.4609 1.162292 1.875643 
1 1 1    2   23   29 o   18.758   1.9399  358.169   69.771  377.411   93.445  333.928  104.884   19.398   2.4816   18.117   2.9823 1.281096 3.879723 
1 1 1    2   23   30 o   23.660   1.6334  557.398   74.547  521.260   98.934  604.868  113.389   22.806   2.2348   24.514   2.3828 -1.708073 3.266836 
1 1 1    2   23   31 o   14.703   2.5841  240.049   72.764  229.421   95.578  254.702  112.221   14.398   3.4623   15.008   3.8371 -0.6101656 5.168252 
1 1 1    2   23   32 o   39.902   1.3711  1606.72  105.317  1612.45  159.515  1602.29  140.223   39.865   2.0613   39.939   1.8086 -0.7405090E-01 2.742294 
1 1 1    2   24    0 o  234.713   1.4436 53421.43  651.042 53051.63  859.941 53918.00  996.507  233.767   1.8950  235.659   2.1784 -1.892517 2.887298 
1 1 1    2   24    1 o  159.378   1.2990 24657.83  401.850 24544.45  563.972 24774.75  572.732  159.006   1.8272  159.750   1.8469 -0.7438660 2.598005 
1 1 1    2   24    2 o   53.947   0.6947  2822.18   72.717  2931.61  104.666  2720.08  101.101   54.957   0.9811   52.937   0.9839 2.019802 1.389443 
1 1 1    2   24    3 o  114.736   1.0980 12779.38  244.516 12799.16  343.607 12759.09  348.030  114.826   1.5416  114.646   1.5638 0.1801376 2.195904 
1 1 1    2   24    4 o  196.669   1.4499 37511.75  553.096 36589.80  764.125 38526.40  801.614  194.133   2.0277  199.203   2.0730 -5.069962 2.899806 
1 1 1    2   24    5 o  258.964   1.6013 65092.03  804.644 64341.58  1119.96 65892.67  1156.81  257.422   2.2413  260.505   2.2876 -3.082306 3.202558 
1 1 1    2   24    6 o  436.095   1.8518 185151.59  1522.92 186681.70  1940.50 182698.00  2457.35  438.475   2.2798  433.715   2.9188 4.759857 3.703614 
1 1 1    2   24    7 o   91.148   1.0080  8062.48  178.252  7992.15  247.601  8138.15  256.824   90.736   1.4057   91.561   1.4450 -0.8246384 2.015958 
1 1 1    2   24    8 o  248.880   1.4574 59952.80  680.145 59420.53  855.490 60867.28  1121.31  247.395   1.7814  250.365   2.3072 -2.970215 2.914890 
1 1 1    2   24    9 o  392.553   1.6897 149725.59  1253.79 149993.09  1601.09 149301.50  2016.00  393.031   2.0986  392.075   2.6488 0.9558716 3.379401 
1 1 1    2   24   10 o   81.609   0.8623  6484.51  131.019  6534.59  163.918  6395.90  218.026   82.048   1.0292   81.169   1.3837 0.8789291 1.724513 
1 1 1    2   24   11 o   45.021   0.7888  1966.61   68.908  1932.34   95.891  2003.22   99.090   44.616   1.1072   45.427   1.1237 -0.8108025 1.577532 
1 1 1    2   24   12 o   64.004   0.7566  3964.91   90.690  3932.15  113.890  4021.69  149.923   63.645   0.9218   64.363   1.2000 -0.7173996 1.513173 
1 1 1    2   24   13 o  180.984   1.2447 31741.17  431.788 31363.99  565.779 32267.27  668.201  179.709   1.6219  182.259   1.8887 -2.550308 2.489462 
1 1 1    2   24   14 o   81.754   0.8369  6513.48  128.887  6591.57  164.102  6387.75  208.223   82.399   1.0260   81.109   1.3225 1.290649 1.673795 
1 1 1    2   24   15 o   74.616   0.8281  5356.78  115.052  5236.99  142.904  5577.47  193.969   73.445   1.0023   75.787   1.3185 -2.342087 1.656225 
1 1 1    2   24   16 o  174.677   1.8442 29585.17  588.980 29374.00  719.476 30014.20  1025.51  173.812   2.1324  175.542   3.0095 -1.729782 3.688396 
1 1 1    2   24   17 o  132.944   1.1544 17191.41  293.973 17279.46  386.192 17070.10  453.307  133.363   1.4918  132.526   1.7621 0.8361511 2.308749 
1 1 1    2   24   18 o   78.494   0.9055  5975.67  131.465  5954.48  162.700  6015.55  223.146   78.304   1.0704   78.685   1.4609 -0.3814545 1.811091 
1 1 1    2   24   19 o   46.097   0.8065  2050.28   70.193  2006.37   88.976  2122.63  114.224   45.452   1.0084   46.742   1.2589 -1.290253 1.612987 
1 1 1    2   24   20 o  104.622   1.1102 10715.69  217.751 10938.82  275.918 10347.25  354.556  106.099   1.3397  103.145   1.7708 2.953964 2.220470 
1 1 1    2   24   21 o   61.984   0.8438  3729.15   99.196  3714.83  127.261  3751.32  158.348   61.840   1.0601   62.129   1.3130 -0.2890472 1.687532 
1 1 1    2   24   22 o   35.231   1.0002  1194.73   67.877  1114.42   89.537  1303.25  104.081   33.856   1.3624   36.607   1.4647 -2.751152 2.000357 
1 1 1    2   24   23 o   53.210   0.8777  2739.81   88.894  2688.91  114.441  2817.24  141.148   52.598   1.1209   53.821   1.3510 -1.223511 1.755419 
1 1 1    2   24   24 o   41.828   0.9531  1679.93   75.851  1597.72   96.989  1809.37  121.709   40.535   1.2326   43.121   1.4540 -2.585754 1.906167 
1 1 1    2   24   25 o   23.380   1.4971  536.097   67.486  551.162   91.083  517.760  100.486   23.756   1.9752   23.003   2.2504 0.7523746 2.994236 
1 1 1    2   24   26 o   58.931   0.9308  3331.72  104.168  3148.44  132.560  3627.62  168.433   56.863   1.2009   60.998   1.4225 -4.134659 1.861630 
1 1 1    2   24   27 o   13.560   2.5451  191.986   69.537  242.572   97.899  140.480   98.786   15.264   3.3921   11.855   3.7953 3.408595 5.090198 
1 1 1    2   24   28 o   47.334   0.9662  2200.44   87.716  2256.15  116.286  2126.90  133.609   48.062   1.2464   46.607   1.4768 1.455765 1.932474 
1 1 1    2   24   29 o   18.447   2.0067  360.093   66.438  498.653   94.804  226.369   93.135   22.358   2.1844   14.536   3.3668 7.821900 4.013338 
1 1 1    2   24   30 o   27.457   1.4381  755.546   76.195  784.145  103.608  721.860  112.446   28.073   1.9012   26.841   2.1582 1.232700 2.876156 
1 1 1    2   24   31 o   29.233   1.4531  855.106   82.039  809.160  109.601  913.651  123.720   28.379   1.9895   30.087   2.1183 -1.708525 2.906118 
1 1 1    2   24   32 o   20.057   2.4846  441.550   94.106  511.988  144.702  389.924  123.882   21.562   3.4571   18.552   3.5696 3.010309 4.969266 
1 1 1    2   25    0 o  320.315   1.6376 99687.18  1013.37 100329.80  1370.23 98911.44  1505.55  321.461   2.1958  319.169   2.4300 2.291656 3.275156 
1 1 1    2   25    1 o  153.335   1.3071 22824.56  389.018 23258.59  551.940 22396.09  548.385  154.784   1.8370  151.886   1.8600 2.897461 2.614170 
1 1 1    2   25    2 f   95.168   0.9926  8791.26  183.368  8676.17  258.245  8908.28  260.412   94.540   1.4072   95.797   1.4004 -1.256279 1.985252 
1 1 1    2   25    3 o  173.615   1.3737 29258.84  462.889 29025.69  647.384 29502.73  662.111  172.908   1.9288  174.322   1.9566 -1.414413 2.747480 
1 1 1    2   25    4 f  372.108   1.9027 134483.59  1366.41 134628.00  1836.85 134304.59  2044.59  372.343   2.5414  371.873   2.8323 0.4695740 3.805351 
1 1 1    2   25    5 o  269.057   1.6340 70275.70  853.020 69783.97  1186.48 70801.80  1227.26  268.085   2.2799  270.030   2.3413 -1.944977 3.268006 
1 1 1    2   25    6 o  145.850   1.2698 20652.42  359.475 20897.32  508.489 20407.73  508.259  146.714   1.7854  144.985   1.8059 1.729218 2.539505 
1 1 1    2   25    7 o  310.055   1.5727 93592.96  919.222 94397.23  1170.70 92299.91  1484.40  311.812   1.9341  308.298   2.4804 3.514740 3.145324 
1 1 1    2   25    8 o  263.102   1.4882 67025.09  734.199 66487.97  923.740 67946.48  1209.84  261.689   1.8184  264.515   2.3562 -2.826172 2.976313 
1 1 1    2   25    9 f  127.785   1.0977 15812.87  260.224 15719.52  323.007 15985.50  439.257  127.253   1.3076  128.316   1.7635 -1.063583 2.195390 
1 1 1    2   25   10 o  334.576   1.6305 108815.90  1029.86 109132.00  1312.68 108309.70  1660.87  335.234   2.0172  333.917   2.5623 1.317322 3.261060 
1 1 1    2   25   11 o  232.273   1.4498 52261.94  635.165 51837.57  806.221 52956.34  1031.29  231.049   1.7976  233.496   2.2753 -2.447403 2.899686 
1 1 1    2   25   12 o   95.010   0.8998  8764.29  161.466  8764.67  205.839  8763.68  260.338   95.016   1.1160   95.004   1.4117 0.1216125E-01 1.799510 
1 1 1    2   25   13 o  112.861   0.9980 12333.52  212.666 12219.15  270.319 12519.28  344.507  112.182   1.2413  113.539   1.5631 -1.357170 1.996045 
1 1 1    2   25   14 o  169.111   1.2340 27801.17  399.410 27918.83  523.481 27637.24  617.888  169.550   1.5905  168.672   1.8871 0.8782349 2.467994 
1 1 1    2   25   15 o   24.598   1.0498  589.706   49.165  598.287   63.849  577.208   77.059   24.821   1.3252   24.376   1.6285 0.4447250 2.099573 
1 1 1    2   25   16 o  125.492   1.0988 15314.67  260.837 15364.32  333.637 15236.62  418.324  125.768   1.3666  125.215   1.7210 0.5523376 2.197621 
1 1 1    2   25   17 o   39.906   0.8103  1550.34   62.030  1571.95   82.008  1521.45   94.828   40.234   1.0500   39.578   1.2343 0.6555099 1.620506 
1 1 1    2   25   18 o   56.689   0.8048  3164.07   86.428  3342.59  112.541  2907.42  134.941   58.669   0.9882   54.708   1.2707 3.961323 1.609670 
1 1 1    2   25   19 o   41.948   0.8391  1719.52   66.648  1757.52   85.831  1661.82  105.769   42.539   1.0394   41.356   1.3175 1.182629 1.678158 
1 1 1    2   25   20 o   36.064   0.9509  1259.90   65.940  1235.55   87.065  1292.66  100.982   35.660   1.2578   36.469   1.4265 -0.8091812 1.901772 
1 1 1    2   25   21 o   68.217   0.8875  4522.45  113.471  4522.92  142.948  4521.65  186.573   68.233   1.0792   68.201   1.4093 0.3154755E-01 1.775043 
1 1 1    2   25   22 o   30.689   1.1434  916.388   67.251  916.717   88.358  915.933  103.684   30.701   1.4826   30.677   1.7412 0.2493286E-01 2.286873 
1 1 1    2   25   23 o   17.524   2.0566  300.708   67.349  232.777   89.762  388.212  101.876   15.126   3.1589   19.922   2.6344 -4.795362 4.113282 
1 1 1    2   25   24 o   35.716   1.0548  1236.98   72.135  1214.03   94.144  1269.61  112.259   35.324   1.3729   36.108   1.6016 -0.7838249 2.109513 
1 1 1    2   25   25 f   20.527   1.6014  414.262   63.506  370.717   90.298  456.878   89.330   19.444   2.3923   21.609   2.1296 -2.164364 3.202890 
1 1 1    2   25   26 o   25.660   1.4416  648.302   71.376  677.879   97.206  613.698  105.142   26.314   1.9030   25.006   2.1660 1.308294 2.883245 
1 1 1    2   25   27 o   22.770   1.5935  510.015   69.145  388.754   94.413  650.300  101.549   19.825   2.4534   25.716   2.0343 -5.891293 3.187034 
1 1 1    2   25   28 o   44.785   1.1300  1967.36   97.550  1982.30  147.127  1955.64  130.311   44.907   1.6878   44.662   1.5031 0.2447662 2.260021 
1 1 1    2   25   29 o   25.807   1.4354  663.236   71.846  676.246  100.251  649.499  103.016   26.083   1.9800   25.531   2.0786 0.5517120 2.870729 
1 1 1    2   25   30 o   21.379   1.7968  464.219   74.181  404.279  102.852  529.201  107.090   19.895   2.6632   22.864   2.4129 -2.969301 3.593697 
1 1 1    2   25   31 o   14.819   2.4304  255.415   79.044  405.853  106.879   73.785  117.437   19.752   2.7875   9.8867   3.9821 9.865504 4.860792 
1 1 1    2   25   32 o   28.829   1.7709  843.350   97.698  1022.02  154.625  724.623  126.045   31.266   2.5476   26.391   2.4604 4.875597 3.541769 
1 1 1    2   26    0 o  164.659   1.2151 26258.72  380.377 26017.59  489.566 26626.03  604.214  163.711   1.5405  165.607   1.8795 -1.896118 2.430185 
1 1 1    2   26    1 o   90.241   0.9518  7903.90  166.712  7791.06  234.227  8019.76  237.337   89.588   1.3469   90.894   1.3451 -1.305389 1.903525 
1 1 1    2   26    2 o   91.062   0.9677  8049.37  171.041  8035.59  239.916  8063.61  243.911   90.983   1.3584   91.141   1.3786 -0.1582870 1.935442 
1 1 1    2   26    3 o  240.046   1.5693 55903.46  730.856 54668.00  1013.14 57243.95  1055.32  237.283   2.1996  242.808   2.2390 -5.524384 3.138674 
1 1 1    2   26    4 f  221.525   1.5240 47640.20  655.153 47375.43  913.824 47920.23  939.773  220.893   2.1312  222.157   2.1792 -1.264648 3.048074 
1 1 1    2   26    5 o   77.439   0.9174  5814.76  137.825  6050.00  198.766  5596.90  191.276   78.946   1.2970   75.932   1.2977 3.013771 1.834732 
1 1 1    2   26    6 o  186.708   1.4471 33822.42  524.216 33108.06  727.777 34592.69  755.720  184.661   2.0303  188.754   2.0625 -4.093811 2.894148 
1 1 1    2   26    7 o  228.158   1.4175 50485.23  607.371 50312.16  766.691 50776.88  995.260  227.644   1.7350  228.671   2.2421 -1.026901 2.835022 
1 1 1    2   26    8 o  248.298   1.4686 59794.91  684.444 59598.57  863.354 60127.07  1122.93  247.762   1.7951  248.833   2.3248 -1.070969 2.937159 
1 1 1    2   26    9 o  133.921   1.1114 17435.09  277.603 17495.01  347.708 17329.74  461.016  134.244   1.3343  133.598   1.7777 0.6462097 2.222717 
1 1 1    2   26   10 o  154.045   1.2377 23041.79  355.544 23042.77  444.816 23040.06  591.659  154.058   1.4874  154.032   1.9788 0.2671814E-01 2.475467 
1 1 1    2   26   11 o   64.558   0.7644  4032.85   91.404  4002.48  113.206  4089.72  154.927   64.212   0.9082   64.904   1.2297 -0.6922607 1.528701 
1 1 1    2   26   12 o   80.003   0.8252  6175.60  123.177  6077.20  153.634  6352.70  206.100   79.120   1.0003   80.887   1.3126 -1.766937 1.650324 
1 1 1    2   26   13 o   73.379   0.8162  5262.42  112.051  5361.64  141.494  5095.56  183.499   74.316   0.9808   72.442   1.3049 1.873825 1.632417 
1 1 1    2   26   14 o  133.125   1.1188 17246.96  281.301 17362.76  359.159 17063.20  452.437  133.715   1.3837  132.535   1.7586 1.179550 2.237683 
1 1 1    2   26   15 o   24.194   1.0970  575.466   50.002  599.231   64.204  538.837   79.711   24.839   1.3316   23.549   1.7438 1.290489 2.194030 
1 1 1    2   26   16 o  112.884   1.0252 12349.91  218.727 12252.46  278.583 12506.55  353.173  112.316   1.2778  113.452   1.6037 -1.135773 2.050458 
1 1 1    2   26   17 o   80.757   0.9027  6262.65  135.652  6089.34  168.156  6585.60  229.544   79.184   1.0940   82.330   1.4363 -3.145950 1.805461 
1 1 1    2   26   18 o   18.722   1.4458  341.762   51.961  345.966   68.787  336.175   79.296   18.860   1.8789   18.584   2.1980 0.2758732 2.891623 
1 1 1    2   26   19 o   50.789   0.8236  2531.64   79.245  2634.09  102.678  2380.74  124.619   52.078   1.0157   49.500   1.2969 2.577892 1.647296 
1 1 1    2   26   20 o   53.395   0.8132  2776.17   83.511  2819.49  111.314  2720.39  126.307   53.876   1.0644   52.913   1.2297 0.9624329 1.626356 
1 1 1    2   26   21 o   23.261   1.3670  513.620   60.864  449.360   78.513  610.393   96.349   21.485   1.8825   25.036   1.9825 -3.551420 2.733907 
1 1 1    2   26   22 o  101.616   1.0763 10044.88  205.860 10047.79  261.028 10040.09  334.820  101.662   1.3227  101.569   1.6982 0.9319305E-01 2.152527 
1 1 1    2   26   23 o  137.067   1.4872 18398.96  376.395 18569.35  466.559 18081.36  636.989  138.085   1.7406  136.048   2.4120 2.037384 2.974441 
1 1 1    2   26   24 o   46.965   0.9112  2158.19   82.450  2272.47  111.902  2022.48  121.949   48.341   1.1925   45.590   1.3780 2.751045 1.822342 
1 1 1    2   26   25 f   52.053   0.9220  2607.26   91.550  2479.26  117.717  2803.17  145.637   50.469   1.2016   53.638   1.3987 -3.168583 1.843976 
1 1 1    2   26   26 o   30.970   1.2235  950.294   72.463  1033.19   97.383  847.459  108.468   32.527   1.5423   29.412   1.8998 3.114571 2.447028 
1 1 1    2   26   27 f   54.643   0.9438  2916.86   99.050  2925.76  131.031  2904.99  151.300   54.764   1.2326   54.522   1.4296 0.2424622 1.887563 
1 1 1    2   26   28 o   29.935   1.2737  896.283   72.864  991.046   98.516  781.846  108.261   31.757   1.5981   28.113   1.9838 3.643707 2.547429 
1 1 1    2   26   29 o   24.034   1.9531  614.024   83.710  509.361  142.931  668.666  103.275   22.159   3.3229   25.909   2.0534 -3.750484 3.906163 
1 1 1    2   26   30 o   18.438   2.1225  356.027   73.894  309.489  101.723  408.023  107.522   16.966   3.2062   19.910   2.7821 -2.943731 4.244931 
1 1 1    2   26   31 o   22.816   1.8363  530.083   80.678  454.462  107.243  628.682  122.457   20.947   2.6375   24.684   2.5556 -3.737494 3.672529 
1 1 1    2   26   32 o   30.105   1.8483  968.550  102.949  890.586  168.610  1014.89  129.993   28.731   3.0232   31.479   2.1274 -2.747530 3.696657 
1 1 1    2   27    0 f   54.440   1.6346  2899.30   76.671  2901.82   78.762  2853.67  334.990   54.677   0.7421   54.202   3.1839 0.4758148 3.269193 
1 1 1    2   27    1 o   19.073   2.8062  572.104   36.348  584.864   36.799   61.375  232.817   24.547   0.7723   13.599   5.5590 10.94822 5.612384 
1 1 1    2   27    2 o  209.719   1.5249 42695.97  620.584 42401.76  865.359 43007.50  890.455  208.976   2.1332  210.462   2.1796 -1.485733 3.049785 
1 1 1    2   27    3 o  337.268   1.7549 110409.70  1148.17 109177.00  1591.71 111746.80  1657.82  335.309   2.4454  339.227   2.5176 -3.918549 3.509740 
1 1 1    2   27    4 o  150.022   1.2750 21850.04  371.283 21820.29  521.814 21880.56  528.394  149.919   1.7931  150.125   1.8132 -0.2064972 2.550027 
1 1 1    2   27    5 o   87.794   0.9759  7481.37  166.298  7600.37  236.529  7365.03  233.855   88.484   1.3771   87.103   1.3831 1.380753 1.951720 
1 1 1    2   27    6 o  135.125   1.2560 17724.30  329.352 17622.22  459.471 17832.19  472.342  134.725   1.7569  135.525   1.7955 -0.7993774 2.512034 
1 1 1    2   27    7 o  292.519   1.5506 82771.34  851.289 81867.16  1071.70 84317.34  1401.35  290.378   1.9013  294.659   2.4500 -4.280670 3.101165 
1 1 1    2   27    8 o   24.724   1.0469  593.543   50.233  598.115   70.473  588.821   71.622   24.821   1.4626   24.628   1.4982 0.1937408 2.093732 
1 1 1    2   27    9 o  212.365   1.4018 43773.87  558.877 43711.81  705.510 43878.41  915.722  212.177   1.7129  212.553   2.2194 -0.3762817 2.803525 
1 1 1    2   27   10 o   86.823   0.9013  7301.85  144.586  7265.09  178.656  7371.62  246.149   86.510   1.0639   87.135   1.4553 -0.6254196 1.802655 
1 1 1    2   27   11 o  108.188   1.0208 11460.75  205.641 11714.96  258.291 11020.64  339.853  109.847   1.2113  106.529   1.6435 3.318169 2.041623 
1 1 1    2   27   12 o  112.568   1.0091 12317.08  214.450 12357.68  273.409 12252.16  345.716  112.816   1.2485  112.320   1.5856 0.4954987 2.018123 
1 1 1    2   27   13 o  151.198   1.1779 22220.55  340.106 22300.43  443.291 22106.23  530.279  151.538   1.5070  150.858   1.8108 0.6795654 2.355833 
1 1 1    2   27   14 o  112.116   1.0114 12151.34  213.412 11980.72  269.585 12437.77  349.287  111.075   1.2503  113.157   1.5901 -2.081688 2.022818 
1 1 1    2   27   15 o  165.027   1.2275 26531.00  387.537 26862.03  508.428 26072.01  598.688  166.277   1.5752  163.778   1.8831 2.498962 2.455075 
1 1 1    2   27   16 o   69.281   0.8052  4644.92  104.714  4597.40  131.870  4726.03  172.277   68.809   0.9873   69.754   1.2723 -0.9456558 1.610429 
1 1 1    2   27   17 o   92.537   0.9361  8344.16  162.980  8424.69  207.001  8212.80  264.357   93.136   1.1450   91.937   1.4813 1.198860 1.872188 
1 1 1    2   27   18 o   36.179   0.9121  1285.31   62.792  1348.82   82.289  1196.79   97.152   37.264   1.1376   35.093   1.4261 2.170689 1.824282 
1 1 1    2   27   19 o  117.893   1.1559 13529.51  258.217 13587.39  331.397 13440.06  411.957  118.237   1.4439  117.549   1.8054 0.6878586 2.311735 
1 1 1    2   27   20 o   90.774   0.9983  8011.36  169.942  8017.06  214.320  8001.69  278.914   90.835   1.2155   90.713   1.5839 0.1219330 1.996553 
1 1 1    2   27   21 o   63.716   0.8622  3963.21  104.120  4029.36  134.113  3862.84  165.194   64.398   1.0728   63.034   1.3501 1.364075 1.724435 
1 1 1    2   27   22 o  116.273   1.2850 13261.70  277.007 13493.80  345.709 12845.42  462.989  117.767   1.5122  114.780   2.0780 2.987350 2.569993 
1 1 1    2   27   23 o   36.224   1.0441  1293.17   72.100  1380.01   95.428  1177.66  110.058   37.670   1.3050   34.779   1.6302 2.890438 2.088210 
1 1 1    2   27   24 o   24.393   1.4691  591.368   68.208  651.573   91.144  514.735  102.829   25.847   1.8166   22.939   2.3093 2.908148 2.938195 
1 1 1    2   27   25 o   35.030   1.1222  1194.27   76.003  1164.61  102.449  1230.58  113.343   34.555   1.5273   35.506   1.6445 -0.9513130 2.244344 
1 1 1    2   27   26 o   56.518   0.9027  3133.47   97.680  3240.54  129.239  2990.81  149.177   57.674   1.1544   55.361   1.3881 2.312809 1.805413 
1 1 1    2   27   27 o   12.319   2.3916  155.254   69.459  264.991   92.653   14.448  104.952   16.001   3.0949   8.6365   3.6470 7.364256 4.783259 
1 1 1    2   27   28 o   12.395   2.5540  164.158   66.931  204.345   91.244  117.346   98.479   13.833   3.4178   10.957   3.7962 2.875898 5.108066 
1 1 1    2   27   29 o   9.7636   2.6303   75.488   70.150   44.040   98.426  107.954  100.007   8.9056   3.6245   10.622   3.8128 -1.716083 5.260643 
1 1 1    2   27   30 o   21.837   2.2194  525.562   86.344  417.846  136.335  597.702  111.572   19.413   3.7536   24.260   2.3692 -4.846653 4.438763 
1 1 1    2   27   31 o   12.764   2.7292  178.241   77.464   99.931  105.134  271.244  114.574   10.203   3.8645   15.326   3.8548 -5.123163 5.458403 
1 1 1    2   28    0 o  225.278   1.4418 49203.21  622.784 48828.12  817.730 49721.29  961.018  224.262   1.8784  226.293   2.1877 -2.030487 2.883503 
1 1 1    2   28    1 o  414.679   1.9859 166967.41  1589.79 166637.20  2137.93 167375.91  2377.75  414.234   2.6588  415.124   2.9507 -0.8900146 3.971858 
1 1 1    2   28    2 o  221.202   1.5459 47494.06  663.591 46929.00  924.752 48093.91  952.794  219.847   2.1669  222.557   2.2054 -2.710388 3.091819 
1 1 1    2   28    3 o  239.589   1.5791 55734.06  734.110 55602.97  1023.24 55873.09  1053.81  239.301   2.2028  239.878   2.2631 -0.5778503 3.158144 
1 1 1    2   28    4 o  137.655   1.2563 18379.28  335.528 17876.17  465.161 18924.97  484.442  135.693   1.7660  139.617   1.7875 -3.923386 2.512697 
1 1 1    2   28    5 o  113.615   2.0045 12530.91  441.632 12382.23  609.428 12695.33  640.883  112.907   2.7806  114.322   2.8879 -1.415276 4.008950 
1 1 1    2   28    6 o  176.415   1.4522 30221.66  497.273 30494.24  700.529 29944.81  706.003  177.218   2.0364  175.613   2.0710 1.604935 2.904457 
1 1 1    2   28    7 o   85.460   0.8600  7097.02  136.216  7114.25  169.240  7065.31  229.529   85.610   1.0184   85.311   1.3860 0.2989502 1.719931 
1 1 1    2   28    8 o   44.449   0.7133  1876.02   58.275  1793.75   70.980  2046.12  102.068   42.988   0.8506   45.910   1.1453 -2.922829 1.426610 
1 1 1    2   28    9 o  179.742   1.3469 31406.13  451.884 31493.09  566.482 31253.96  749.332  180.098   1.6204  179.387   2.1519 0.7107391 2.693725 
1 1 1    2   28   10 o  177.388   1.3219 30651.97  438.958 30910.62  553.222 30212.37  721.229  178.417   1.5973  176.360   2.1067 2.056870 2.643824 
1 1 1    2   28   11 o  133.301   1.1552 17346.22  286.649 17577.79  359.053 16939.22  476.004  134.546   1.3748  132.055   1.8569 2.490280 2.310418 
1 1 1    2   28   12 o   97.407   0.9421  9223.72  172.222  9255.46  217.546  9170.42  281.884   97.637   1.1478   97.177   1.4943 0.4600906 1.884267 
1 1 1    2   28   13 o   82.197   0.8603  6521.11  131.968  6420.95  164.672  6700.93  220.635   81.324   1.0431   83.069   1.3683 -1.745331 1.720540 
1 1 1    2   28   14 o  157.712   1.2025 24093.55  361.405 23789.51  467.074 24547.16  570.510  156.490   1.5376  158.932   1.8492 -2.441864 2.404926 
1 1 1    2   28   15 o   74.862   0.8302  5377.47  116.110  5211.62  144.581  5678.72  194.859   73.261   1.0166   76.462   1.3128 -3.201408 1.660448 
1 1 1    2   28   16 o   28.927   0.9827  809.423   54.323  793.629   70.541  832.440   85.155   28.584   1.2713   29.270   1.4987 -0.6860771 1.965311 
1 1 1    2   28   17 o   44.966   0.8012  1943.40   68.285  1873.61   86.876  2056.22  110.456   43.924   1.0189   46.008   1.2368 -2.084484 1.602432 
1 1 1    2   28   18 o  155.964   1.3872 23769.83  414.978 24389.86  550.253 22952.09  631.923  158.364   1.7899  153.565   2.1199 4.799698 2.774476 
1 1 1    2   28   19 o   78.272   0.9147  5933.78  134.808  5874.52  170.580  6032.36  220.012   77.764   1.1300   78.780   1.4387 -1.016418 1.829404 
1 1 1    2   28   20 o   47.544   0.8397  2197.75   76.800  2206.55  102.103  2186.28  116.550   47.658   1.1037   47.431   1.2659 0.2265396 1.679426 
1 1 1    2   28   21 o  108.957   1.1798 11589.05  240.715 11693.57  303.586 11412.06  395.040  109.659   1.4262  108.256   1.8799 1.403557 2.359630 
1 1 1    2   28   22 o   79.984   0.9609  6215.91  144.212  6197.43  181.848  6247.23  236.733   79.845   1.1733   80.123   1.5221 -0.2776031 1.921783 
1 1 1    2   28   23 o   56.161   0.8950  3059.02   95.366  3028.37  122.256  3106.67  152.412   55.814   1.1284   56.508   1.3895 -0.6938057 1.789937 
1 1 1    2   28   24 o   47.382   0.9310  2195.06   84.388  2246.14  111.050  2125.24  129.824   48.050   1.1906   46.714   1.4317 1.335541 1.862032 
1 1 1    2   28   25 o   12.379   2.5609  155.248   65.534  137.936   90.150  174.648   95.435   11.731   3.6077   13.028   3.6355 -1.296904 5.121787 
1 1 1    2   28   26 o   16.098   2.3362  267.827   70.511  248.622   97.151  289.203  102.497   15.469   3.3336   16.727   3.2739 -1.257421 4.672403 
1 1 1    2   28   27 o   34.768   1.1314  1172.26   75.768  1086.64   99.902  1288.20  116.253   33.302   1.5454   36.235   1.6528 -2.932678 2.262720 
1 1 1    2   28   28 o   23.978   1.4875  573.488   69.043  600.645   95.783  544.116   99.612   24.597   2.0060   23.359   2.1968 1.237984 2.974901 
1 1 1    2   28   29 o   27.099   1.4200  736.608   74.118  780.237  100.838  685.338  109.312   28.030   1.8533   26.167   2.1520 1.862862 2.840024 
1 1 1    2   28   30 o   22.773   1.7393  532.162   76.454  566.026  105.235  494.309  111.262   23.617   2.2955   21.929   2.6138 1.688107 3.478661 
1 1 1    2   28   31 o   13.138   2.8005  206.246   86.388   79.775  134.460  295.148  112.733   10.232   4.2084   16.044   3.6959 -5.811634 5.600968 
1 1 1    2   29    0 o   59.245   0.6910  3408.05   74.791  3410.15   91.461  3403.80  129.938   59.273   0.7949   59.216   1.1304 0.5686188E-01 1.381905 
1 1 1    2   29    1 o  221.266   1.4474 47503.14  613.532 47332.74  804.426 47740.09  948.628  220.799   1.8768  221.734   2.2039 -0.9351349 2.894792 
1 1 1    2   29    2 o  224.264   1.5499 48835.69  674.549 48784.98  943.522 48888.70  964.746  224.146   2.1685  224.383   2.2149 -0.2360687 3.099707 
1 1 1    2   29    3 o  217.277   1.5334 45804.04  646.289 44905.43  894.247 46786.64  935.102  215.049   2.1422  219.505   2.1946 -4.455872 3.066771 
1 1 1    2   29    4 o  133.870   1.2762 17404.73  331.536 17695.44  465.735 17106.08  472.053  135.004   1.7772  132.736   1.8321 2.268524 2.552391 
1 1 1    2   29    5 o  245.492   1.6244 58482.16  773.522 57549.44  1069.92 59503.56  1119.63  243.444   2.2640  247.539   2.3300 -4.095139 3.248846 
1 1 1    2   29    6 o  213.549   1.5600 44287.72  646.330 44378.13  900.283 44191.57  928.465  213.776   2.1695  213.322   2.2421 0.4534607 3.119914 
1 1 1    2   29    7 o  115.673   1.0713 13079.69  230.309 13307.71  288.230 12676.99  383.035  117.082   1.2682  114.264   1.7269 2.818237 2.142539 
1 1 1    2   29    8 o  199.658   1.4005 38664.92  522.281 38539.93  654.301 38884.43  867.061  199.228   1.6918  200.087   2.2324 -0.8588562 2.801036 
1 1 1    2   29    9 o  133.729   1.1621 17360.90  288.182 17349.87  358.005 17381.22  485.710  133.678   1.3796  133.781   1.8703 -0.1026001 2.324119 
1 1 1    2   29   10 o  133.669   1.1491 17354.23  285.514 17360.24  355.786 17343.37  478.516  133.712   1.3707  133.625   1.8448 0.8728027E-01 2.298285 
1 1 1    2   29   11 o   66.931   0.7897  4368.53   97.723  4413.44  121.316  4285.55  164.913   67.426   0.9269   66.436   1.2788 0.9902954 1.579353 
1 1 1    2   29   12 o   29.924   0.8805  882.955   49.782  936.192   64.608  805.161   78.101   31.053   1.0718   28.795   1.3972 2.257818 1.760983 
1 1 1    2   29   13 o   93.092   0.9252  8421.42  160.967  8436.78  202.088  8394.78  266.233   93.215   1.1168   92.969   1.4752 0.2460709 1.850306 
1 1 1    2   29   14 o   98.765   0.9639  9496.70  178.528  9560.36  225.460  9389.67  292.320   99.220   1.1706   98.311   1.5318 0.9092102 1.927847 
1 1 1    2   29   15 o   91.805   0.9660  8170.48  164.539  8130.61  204.327  8244.03  277.516   91.499   1.1504   92.112   1.5520 -0.6135559 1.931905 
1 1 1    2   29   16 o   75.529   0.8530  5539.91  121.055  5537.38  153.048  5544.13  197.844   75.512   1.0441   75.545   1.3491 -0.3250885E-01 1.705960 
1 1 1    2   29   17 o  124.157   1.1377 14935.24  268.379 14746.85  344.762 15224.99  427.555  123.186   1.4418  125.128   1.7602 -1.942696 2.275329 
1 1 1    2   29   18 o   55.533   0.8354  3003.42   87.835  3030.60  112.691  2961.36  140.204   55.859   1.0393   55.207   1.3083 0.6528473 1.670835 
1 1 1    2   29   19 o   44.019   0.8442  1886.46   71.869  1933.06   98.230  1832.79  105.426   44.607   1.1344   43.430   1.2505 1.176659 1.688402 
1 1 1    2   29   20 o   83.216   0.9548  6735.55  149.039  6747.14  188.064  6715.98  244.371   83.329   1.1626   83.103   1.5148 0.2257309 1.909579 
1 1 1    2   29   21 o   22.156   1.4902  485.142   63.188  545.354   86.375  415.819   92.681   23.665   1.8803   20.647   2.3125 3.018202 2.980427 
1 1 1    2   29   22 o   62.416   0.8845  3775.13  104.556  3731.26  133.529  3844.65  168.099   61.960   1.1102   62.871   1.3774 -0.9111099 1.769083 
1 1 1    2   29   23 o   59.475   0.8687  3459.20   98.929  3566.03  130.769  3316.23  151.272   60.565   1.1123   58.384   1.3347 2.180698 1.737448 
1 1 1    2   29   24 o   35.310   1.0760  1220.74   72.868  1252.84   96.620  1178.40  110.966   35.863   1.3879   34.756   1.6447 1.106995 2.152057 
1 1 1    2   29   25 o   22.388   1.6172  502.072   68.910  570.578   93.425  420.328  102.054   24.129   1.9946   20.647   2.5462 3.481657 3.234464 
1 1 1    2   29   26 o   42.369   1.0354  1756.14   83.157  1763.05  106.801  1745.49  132.519   42.506   1.2944   42.231   1.6165 0.2752075 2.070879 
1 1 1    2   29   27 o   11.971   2.6200  148.772   67.105  153.326   92.260  143.656   97.782   12.112   3.6343   11.831   3.7747 0.2807798 5.239899 
1 1 1    2   29   28 o   19.664   1.8219  389.237   68.088  292.523   92.849  501.750  100.146   16.952   2.8215   22.375   2.3057 -5.423132 3.643784 
1 1 1    2   29   29 o   13.584   2.5655  205.056   69.820  239.468   95.349  165.273  102.522   14.845   3.3840   12.323   3.8569 2.522382 5.130984 
1 1 1    2   29   30 o   15.738   2.5611  279.865   76.671  306.371  104.379  248.805  112.992   16.718   3.3332   14.759   3.8893 1.959798 5.122214 
1 1 1    2   29   31 o   27.292   1.6741  756.879   83.998  810.296  145.688  730.279  102.807   27.749   2.7046   26.835   1.9736 0.9141426 3.348117 
1 1 1    2   30    0 o  232.300   1.4892 52391.92  662.944 52356.45  870.501 52440.89  1022.92  232.215   1.9311  232.386   2.2676 -0.1714172 2.978485 
1 1 1    2   30    1 o   48.640   0.7387  2291.13   69.543  2229.83   94.295  2364.24  102.975   47.929   1.0135   49.352   1.0749 -1.423050 1.477356 
1 1 1    2   30    2 o  273.007   1.6769 72330.11  888.092 71111.07  1229.95 73658.00  1283.68  270.607   2.3414  275.406   2.4011 -4.799744 3.353773 
1 1 1    2   30    3 o  349.486   1.8168 118618.00  1232.21 118522.20  1722.52 118718.50  1763.41  349.343   2.5401  349.628   2.5983 -0.2843018 3.633585 
1 1 1    2   30    4 o  155.135   1.3921 23367.59  419.106 23354.37  586.078 23381.43  599.563  155.091   1.9467  155.180   1.9904 -0.8853149E-01 2.784115 
1 1 1    2   30    5 o  315.379   1.7784 96574.43  1088.00 95752.38  1508.43 97465.86  1570.78  313.984   2.4749  316.773   2.5545 -2.789764 3.556733 
1 1 1    2   30    6 o  190.137   1.5431 35108.31  569.477 34958.62  799.376 35262.57  811.483  189.726   2.1705  190.548   2.1939 -0.8217468 3.086112 
1 1 1    2   30    7 o  251.698   1.6746 61533.70  817.991 61406.75  1143.83 61666.59  1170.25  251.434   2.3435  251.962   2.3926 -0.5273285 3.349168 
1 1 1    2   30    8 o   44.531   0.7976  1916.36   68.789  1782.96   93.644  2072.70  101.380   42.856   1.1257   46.207   1.1303 -3.351032 1.595191 
1 1 1    2   30    9 o   72.555   0.8096  5142.49  108.805  5219.07  135.524  5003.61  182.501   73.323   0.9522   71.787   1.3096 1.535500 1.619193 
1 1 1    2   30   10 o   70.571   0.8109  4863.97  106.178  4935.04  132.503  4736.46  177.486   71.299   0.9574   69.843   1.3091 1.455887 1.621836 
1 1 1    2   30   11 o  103.530   1.0160 10469.52  195.128 10620.44  243.444 10198.33  326.330  104.588   1.1991  102.473   1.6405 2.114632 2.032031 
1 1 1    2   30   12 o   66.002   0.7760  4243.99   95.889  4284.83  120.915  4174.80  157.406   66.435   0.9376   65.570   1.2367 0.8645477 1.551916 
1 1 1    2   30   13 o   62.127   0.7616  3739.03   88.561  3714.99  111.173  3780.77  146.502   61.857   0.9259   62.396   1.2095 -0.5382347 1.523224 
1 1 1    2   30   14 o   43.645   0.7439  1837.87   61.177  1801.77   77.327  1898.28  100.022   43.078   0.9247   44.212   1.1654 -1.133873 1.487744 
1 1 1    2   30   15 o  121.874   1.0924 14467.03  251.417 14581.22  321.041 14285.94  404.299  122.514   1.3499  121.234   1.7180 1.280014 2.184868 
1 1 1    2   30   16 o   55.100   0.7507  2958.57   78.385  2996.28  100.841  2901.01  124.598   55.548   0.9352   54.651   1.1745 0.8976250 1.501329 
1 1 1    2   30   17 o   60.990   0.7981  3565.17   91.597  3426.80  115.072  3804.44  151.324   59.401   0.9979   62.578   1.2457 -3.176868 1.596158 
1 1 1    2   30   18 o   44.428   0.8405  1908.76   70.813  1877.07   90.550  1958.64  113.621   43.960   1.0611   44.897   1.3037 -0.9364700 1.680958 
1 1 1    2   30   19 o   55.461   0.8334  3000.59   87.920  3050.74  114.031  2927.07  138.063   56.041   1.0482   54.881   1.2959 1.159622 1.666809 
1 1 1    2   30   20 o  105.536   1.0928 10874.83  217.988 11016.81  279.173 10653.05  348.927  106.449   1.3510  104.623   1.7181 1.826683 2.185652 
1 1 1    2   30   21 o   86.202   1.0098  7270.81  163.125  7397.23  206.414  7060.50  266.221   87.232   1.2190   85.173   1.6102 2.058556 2.019561 
1 1 1    2   30   22 o   27.268   1.2956  726.295   67.964  738.674   90.702  710.445  102.632   27.541   1.6966   26.995   1.9585 0.5463257 2.591179 
1 1 1    2   30   23 o   35.225   1.0976  1222.97   73.991  1319.47   99.273  1102.36  110.981   36.820   1.3889   33.631   1.7000 3.188404 2.195234 
1 1 1    2   30   24 o   43.261   0.9804  1819.77   81.452  1797.56  107.329  1849.93  125.080   42.962   1.2870   43.559   1.4792 -0.5975266 1.960726 
1 1 1    2   30   25 o   26.216   1.4265  674.881   72.182  679.407   97.239  669.325  107.727   26.330   1.9025   26.103   2.1260 0.2272739 2.852988 
1 1 1    2   30   26 o   44.742   0.9750  1948.40   83.316  1916.27  108.111  1995.39  130.740   44.314   1.2568   45.170   1.4911 -0.8559494 1.950085 
1 1 1    2   30   27 o   13.172   2.4874  185.721   65.385  214.145   90.694  154.959   94.350   14.202   3.3450   12.142   3.6824 2.059358 4.974818 
1 1 1    2   30   28 o   43.407   1.0124  1850.43   84.954  1833.96  114.836  1870.33  126.262   43.217   1.3688   43.596   1.4920 -0.3790855 2.024772 
1 1 1    2   30   29 o   16.374   2.2588  288.642   69.194  308.236   97.945  269.120   97.766   16.994   3.0826   15.754   3.3025 1.240140 4.517596 
1 1 1    2   30   30 o   12.398   2.8329  173.462   78.404  200.429  110.117  145.733  111.661   13.214   3.9717   11.581   4.0406 1.632914 5.665730 
1 1 1    2   30   31 o   9.9706   2.8586   82.658   85.347   99.641  131.270   70.222  112.330   10.456   4.2106   9.4853   3.8675 0.9706020 5.717232 
1 1 1    2   31    0 o  155.858   1.2475 23556.71  368.608 23457.12  472.452 23711.66  589.275  155.443   1.5658  156.274   1.9425 -0.8314209 2.494991 
1 1 1    2   31    1 o   58.008   0.7170  3247.86   75.564  3214.68   91.667  3318.22  133.481   57.549   0.8206   58.466   1.1761 -0.9175072 1.434072 
1 1 1    2   31    2 o  279.482   1.7016 75843.59  922.865 75390.57  1286.73 76323.47  1324.33  278.624   2.3791  280.339   2.4336 -1.714905 3.403281 
1 1 1    2   31    3 o   76.263   0.9146  5646.05  135.394  5642.61  191.947  5649.46  191.008   76.240   1.2970   76.286   1.2899 -0.4634094E-01 1.829177 
1 1 1    2   31    4 o  301.491   1.7452 88279.16  1020.90 87961.62  1420.74 88618.16  1467.95  300.934   2.4321  302.048   2.5036 -1.114441 3.490433 
1 1 1    2   31    5 o  147.270   1.3493 21058.29  385.661 21611.74  548.360 20516.61  542.500  149.185   1.8935  145.355   1.9227 3.830002 2.698552 
1 1 1    2   31    6 o   77.029   0.9549  5758.18  142.722  5689.33  198.428  5831.98  205.433   76.552   1.3353   77.506   1.3654 -0.9533157 1.909834 
1 1 1    2   31    7 o  118.092   1.2171 13539.91  278.947 13438.62  390.040 13645.96  399.097  117.640   1.7080  118.543   1.7343 -0.9031677 2.434182 
1 1 1    2   31    8 o   70.636   0.7995  4845.79  104.042  4849.71  128.333  4838.26  177.718   70.681   0.9353   70.592   1.2969 0.8928680E-01 1.599023 
1 1 1    2   31    9 o  131.525   1.1397 16779.79  278.511 16729.47  346.604 16871.48  467.890  131.259   1.3603  131.792   1.8289 -0.5327759 2.279331 
1 1 1    2   31   10 o   31.938   0.8359  1002.85   50.372  1048.16   64.911  934.249   79.865   32.858   1.0177   31.019   1.3264 1.839495 1.671804 
1 1 1    2   31   11 o  154.622   1.2549 23121.12  361.732 22860.39  451.153 23590.45  605.307  153.424   1.5148  155.820   2.0012 -2.395905 2.509869 
1 1 1    2   31   12 o   46.048   0.7443  2038.27   64.372  1980.49   80.808  2138.59  106.486   45.166   0.9217   46.930   1.1689 -1.763977 1.488574 
1 1 1    2   31   13 o   78.143   0.8437  5922.46  123.255  5901.47  154.593  5959.08  204.199   77.960   1.0215   78.327   1.3430 -0.3673019 1.687368 
1 1 1    2   31   14 o   16.330   3.3469  304.666   59.870  316.300   60.708 -107.9573  361.544   18.040   1.7336   14.621   6.4654 3.419093 6.693756 
1 1 1    2   31   15 o   76.093   0.8543  5634.04  121.112  5660.41  151.537  5587.44  201.508   76.348   1.0225   75.838   1.3688 0.5090942 1.708530 
1 1 1    2   31   16 o   63.835   0.7991  3932.39   95.170  3867.10  118.676  4050.03  159.304   63.103   0.9688   64.566   1.2710 -1.462250 1.598177 
1 1 1    2   31   17 f   59.176   0.8122  3416.84   90.375  3464.30  114.812  3339.55  146.534   59.725   0.9903   58.627   1.2876 1.097729 1.624358 
1 1 1    2   31   18 o  102.114   1.0874 10157.85  206.877 10210.88  258.872 10064.13  344.142  102.507   1.3010  101.720   1.7429 0.7873077 2.174879 
1 1 1    2   31   19 o   60.544   0.8353  3576.40   96.245  3638.52  124.977  3485.85  150.874   61.200   1.0520   59.889   1.2978 1.311550 1.670618 
1 1 1    2   31   20 o   45.099   0.9049  1987.00   77.869  2033.92  101.864  1921.02  120.786   45.749   1.1470   44.448   1.3999 1.301071 1.809792 
1 1 1    2   31   21 o   73.312   0.9374  5218.51  129.112  5193.77  163.046  5260.12  211.421   73.097   1.1491   73.526   1.4813 -0.4291000 1.874727 
1 1 1    2   31   22 o   66.456   0.9048  4318.37  113.050  4390.79  143.697  4200.73  183.137   67.209   1.1014   65.703   1.4359 1.505447 1.809678 
1 1 1    2   31   23 o   46.836   0.9114  2146.58   81.962  2223.67  109.365  2047.82  123.796   47.811   1.1784   45.861   1.3906 1.949661 1.822712 
1 1 1    2   31   24 o   14.742   2.2909  214.317   66.062  135.147   88.193  315.528   99.716   11.617   3.5676   17.868   2.8749 -6.251447 4.581828 
1 1 1    2   31   25 o   35.954   1.0985  1251.40   75.705  1191.23   98.537  1338.07  118.270   34.925   1.4534   36.983   1.6474 -2.057640 2.196944 
1 1 1    2   31   26 o   11.073   2.6290  119.342   66.628  113.045   91.723  126.376   96.946   10.821   3.6662   11.325   3.7689 -0.5039186 5.257926 
1 1 1    2   31   27 o   29.189   1.2711  858.774   70.426  1007.22   96.491  689.545  103.024   32.008   1.5530   26.370   2.0127 5.638369 2.542147 
1 1 1    2   31   28 o   11.657   2.4297  136.894   67.852  236.886   93.003   23.102   99.213   14.855   3.3099   8.4599   3.5578 6.395028 4.859344 
1 1 1    2   31   29 o   11.677   2.7762  146.899   74.680  161.590  102.828  130.502  108.638   12.120   3.8713   11.234   3.9801 0.8861074 5.552323 
1 1 1    2   31   30 o   7.6350   2.4167 -25.1448   74.999   13.296  101.434 -71.5062  111.395   8.1375   3.5142   7.1325   3.3184 1.004981 4.833358 
1 1 1    2   32    0 o  137.074   1.1662 18222.12  301.143 18157.91  381.916 18327.67  489.642  136.761   1.4386  137.388   1.8360 -0.6271667 2.332455 
1 1 1    2   32    1 o  141.299   1.2013 19330.08  318.190 19175.82  400.124 19595.45  524.800  140.541   1.4667  142.058   1.9031 -1.516708 2.402685 
1 1 1    2   32    2 f  305.287   1.6785 90415.43  986.388 89702.77  1310.27 91347.61  1498.54  303.914   2.2210  306.660   2.5174 -2.746552 3.357064 
1 1 1    2   32    3 f  143.177   1.3099 19900.44  363.863 19751.17  505.603 20060.81  524.053  142.621   1.8262  143.733   1.8783 -1.111755 2.619735 
1 1 1    2   32    4 o  154.633   1.3758 23219.81  412.983 23123.51  583.386 23316.55  584.710  154.311   1.9476  154.954   1.9439 -0.6429291 2.751682 
1 1 1    2   32    5 o  103.671   1.1267 10435.78  226.719 10449.77  318.240 10421.36  323.073  103.742   1.5803  103.601   1.6065 0.1417847 2.253450 
1 1 1    2   32    6 o  108.976   1.1294 11531.73  238.885 11807.22  338.677 11258.96  336.996  110.272   1.5822  107.680   1.6122 2.591499 2.258885 
1 1 1    2   32    7 o  103.378   1.1240 10369.82  225.314 10213.95  310.370 10543.48  327.615  102.558   1.5590  104.198   1.6197 -1.639206 2.248098 
1 1 1    2   32    8 o  167.880   1.3056 27429.16  410.150 27575.98  516.240 27177.84  675.396  168.508   1.5782  167.251   2.0803 1.256821 2.611198 
1 1 1    2   32    9 o   14.302   1.7671  227.528   44.012  293.139   56.504  126.312   70.181   17.373   1.6755   11.230   3.1119 6.142820 3.534252 
1 1 1    2   32   10 o  130.723   1.2512 16599.69  293.125 16601.23  352.364 16596.21  528.198  130.752   1.3883  130.693   2.0820 0.5874634E-01 2.502398 
1 1 1    2   32   11 f  133.032   1.1790 17141.39  291.256 17020.07  361.834 17364.65  490.867  132.382   1.4080  133.682   1.8916 -1.300293 2.358101 
1 1 1    2   32   12 o  135.161   1.1845 17674.01  296.375 17498.77  366.607 18004.59  503.531  134.220   1.4071  136.102   1.9059 -1.882034 2.369018 
1 1 1    2   32   13 o  129.661   1.1186 16322.10  275.192 16274.15  353.350 16396.04  438.719  129.434   1.4064  129.888   1.7400 -0.4544830 2.237290 
1 1 1    2   32   14 o   46.985   0.7544  2153.81   67.004  2188.88   85.901  2099.34  107.073   47.479   0.9320   46.492   1.1864 0.9873428 1.508745 
1 1 1    2   32   15 o   73.799   0.8504  5296.06  116.361  5309.98  144.648  5270.54  195.882   73.945   1.0077   73.653   1.3701 0.2921371 1.700745 
1 1 1    2   32   16 o   68.850   0.8369  4615.95  107.459  4645.24  134.673  4564.62  178.277   69.160   1.0031   68.540   1.3399 0.6193237 1.673836 
1 1 1    2   32   17 o   78.813   0.9043  6026.44  133.162  6002.71  166.867  6068.06  220.964   78.611   1.0935   79.015   1.4406 -0.4038773 1.808619 
1 1 1    2   32   18 o   50.753   0.8274  2480.23   79.957  2392.91  102.656  2614.91  127.490   49.632   1.0655   51.874   1.2661 -2.242245 1.654761 
1 1 1    2   32   19 o   79.292   0.9632  6137.64  142.885  6208.65  180.082  6016.98  234.760   79.932   1.1606   78.653   1.5376 1.279137 1.926460 
1 1 1    2   32   20 o   36.351   0.9758  1283.96   68.828  1249.82   95.785  1320.41   98.969   35.852   1.3763   36.850   1.3836 -0.9981384 1.951555 
1 1 1    2   32   21 o   68.017   4.0999  4427.81  143.763  4419.24  145.049  4904.92  1081.96   67.431   1.1081   68.604   8.1245 -1.173119 8.199712 
1 1 1    2   32   22 o   30.912   1.1747  936.869   69.793  980.794   93.729  882.204  104.561   31.740   1.5213   30.085   1.7904 1.655235 2.349455 
1 1 1    2   32   23 o   16.820   2.2072  284.271   68.868  259.180   90.664  318.494  105.887   15.951   3.0391   17.688   3.2017 -1.737379 4.414408 
1 1 1    2   32   24 o   39.821   1.0447  1572.48   78.436  1668.10  101.486  1430.64  123.605   41.377   1.2635   38.265   1.6640 3.111843 2.089385 
1 1 1    2   32   25 o   26.131   1.4035  662.911   69.630  634.250   88.767  708.753  112.261   25.434   1.7979   26.827   2.1557 -1.393253 2.807073 
1 1 1    2   32   26 o   22.202   1.5551  485.770   66.761  461.314   89.769  516.035   99.863   21.592   2.1418   22.813   2.2551 -1.221008 3.110108 
1 1 1    2   32   27 o   10.627   2.4471  102.602   65.923  188.838   90.717   6.1043   95.963   13.242   3.4826   8.0124   3.4387 5.229574 4.894241 
1 1 1    2   32   28 o   22.880   1.6102  521.711   71.160  458.503   96.075  598.527  105.914   21.343   2.3189   24.417   2.2346 -3.073366 3.220382 
1 1 1    2   32   29 o   18.737   2.2453  397.316   75.298  525.115  102.335  246.442  111.190   22.733   2.3190   14.741   3.8455 7.992469 4.490583 
1 1 1    2   32   30 o   13.087   3.0956  198.749   90.695  229.507  145.806  179.339  115.831   13.738   4.6225   12.436   4.1188 1.301954 6.191292 
1 1 1    2   33    0 o  198.030   1.4047 37987.27  530.127 37589.56  685.484 38579.11  836.209  196.753   1.7948  199.307   2.1614 -2.553558 2.809394 
1 1 1    2   33    1 o  142.179   1.1913 19532.61  318.643 19249.13  402.233 20010.27  522.125  140.807   1.4716  143.551   1.8737 -2.743759 2.382523 
1 1 1    2   33    2 o  145.996   1.2367 20704.80  341.159 20732.27  435.355 20661.09  549.176  146.128   1.5348  145.863   1.9396 0.2653656 2.473334 
1 1 1    2   33    3 o   30.664   0.9374  911.098   55.673  827.989   77.058  1001.85   80.522   29.204   1.3593   32.124   1.2913 -2.920450 1.874863 
1 1 1    2   33    4 o  139.357   1.3378 18853.52  361.826 18511.25  505.833 19212.14  517.776  138.063   1.8874  140.652   1.8964 -2.589081 2.675567 
1 1 1    2   33    5 o  112.233   1.1954 12230.09  260.416 11995.86  365.842 12470.68  370.776  111.144   1.6957  113.322   1.6855 -2.178635 2.390874 
1 1 1    2   33    6 o   69.235   0.8955  4644.31  120.170  4483.05  164.617  4828.27  175.828   67.951   1.2480   70.518   1.2845 -2.567139 1.790903 
1 1 1    2   33    7 o  134.748   1.3388 17635.56  350.168 17408.46  492.043 17868.61  498.444  133.869   1.8935  135.626   1.8932 -1.757706 2.677611 
1 1 1    2   33    8 f   45.074   2.6401  1891.65   73.986  1886.97   74.938  2072.34  465.563   44.088   0.8756   46.059   5.2072 -1.970325 5.280266 
1 1 1    2   33    9 o   60.272   0.7590  3565.28   85.442  3674.81  107.999  3382.02  139.693   61.526   0.9043   59.019   1.2193 2.506699 1.518036 
1 1 1    2   33   10 o   85.431   0.8975  7058.98  141.999  6994.25  175.760  7180.62  240.961   84.875   1.0668   85.987   1.4436 -1.111458 1.795004 
1 1 1    2   33   11 o  150.547   1.2692 22124.93  354.972 22378.10  443.333 21672.70  592.529  151.779   1.5047  149.315   2.0443 2.464203 2.538358 
1 1 1    2   33   12 o  183.036   1.4236 32597.47  485.524 32661.37  607.161 32484.13  808.600  183.329   1.7061  182.743   2.2794 0.5864563 2.847219 
1 1 1    2   33   13 o   60.754   0.7611  3591.90   86.748  3613.73  109.593  3555.27  141.949   61.006   0.9254   60.502   1.2086 0.5040092 1.522249 
1 1 1    2   33   14 o   73.401   0.8525  5260.35  116.868  5335.37  147.043  5131.70  192.568   74.123   1.0219   72.680   1.3649 1.443230 1.705096 
1 1 1    2   33   15 o   16.968   1.4957  267.708   48.051  225.146   60.374  341.258   79.366   15.211   2.0446   18.724   2.1836 -3.512727 2.991401 
1 1 1    2   33   16 o   44.732   0.8009  1922.49   67.152  1865.07   84.027  2023.98  111.712   43.822   0.9878   45.642   1.2609 -1.819904 1.601708 
1 1 1    2   33   17 o   11.290   2.2656  129.282   51.882  142.758   67.184  109.371   81.663   11.860   2.9343   10.720   3.4527 1.139474 4.531135 
1 1 1    2   33   18 o   35.684   0.9246  1227.22   62.979  1183.51   81.298  1292.83   99.592   34.900   1.2000   36.468   1.4068 -1.568649 1.849128 
1 1 1    2   33   19 o   20.104   1.5345  392.030   59.731  359.242   81.344  430.396   87.991   19.196   2.1830   21.012   2.1573 -1.816311 3.069072 
1 1 1    2   33   20 o   55.230   0.8814  2984.01   92.291  3054.88  119.193  2877.91  145.840   56.065   1.0952   54.395   1.3812 1.669556 1.762708 
1 1 1    2   33   21 o   45.805   0.8859  2046.96   78.153  2098.99  104.951  1982.19  117.093   46.466   1.1635   45.143   1.3362 1.322872 1.771797 
1 1 1    2   33   22 o   42.446   0.9609  1749.79   78.393  1727.86  103.517  1779.28  120.038   42.143   1.2654   42.750   1.4465 -0.6069984 1.921854 
1 1 1    2   33   23 o   9.1775   2.4585   15.583   68.202 -77.4289   90.666  136.811  103.509   6.4724   3.0055   11.883   3.8915 -5.410142 4.916997 
1 1 1    2   33   24 o   39.631   1.0604  1543.01   80.164  1588.39  105.002  1479.61  124.119   40.358   1.3403   38.904   1.6435 1.453125 2.120752 
1 1 1    2   33   25 o   16.850   2.2218  299.869   69.198  350.682   91.940  233.474  105.096   18.808   2.5183   14.892   3.6612 3.915511 4.443684 
1 1 1    2   33   26 o   17.907   1.8807  320.211   65.196  300.075   88.341  344.297   96.618   17.298   2.6309   18.516   2.6881 -1.217726 3.761329 
1 1 1    2   33   27 o   19.328   1.8170  383.991   66.862  434.524   90.741  323.964   98.899   20.834   2.2437   17.822   2.8588 3.012936 3.634085 
1 1 1    2   33   28 o   26.910   1.4514  715.429   75.305  624.731  100.311  832.553  113.992   24.975   2.0691   28.845   2.0358 -3.870564 2.902711 
1 1 1    2   33   29 o   25.774   1.6176  681.841   79.846  724.320  106.963  628.380  119.995   26.803   2.0558   24.745   2.4981 2.057405 3.235243 
1 1 1    2   33   30 o   13.924   2.7841  243.656   83.963  135.505  138.014  307.203  105.793   11.360   4.3961   16.488   3.4176 -5.128238 5.568295 
1 1 1    2   34    0 o  123.768   1.1103 14788.98  255.414 14584.91  317.173 15165.43  430.796  122.567   1.3331  124.969   1.7758 -2.401901 2.220524 
1 1 1    2   34    1 o  115.357   1.0627 12902.21  228.861 12853.72  286.483 12987.73  380.474  115.064   1.2826  115.651   1.6948 -0.5868759 2.125404 
1 1 1    2   34    2 o   39.742   0.7387  1546.27   51.915  1565.21   61.970  1501.68   95.073   40.156   0.7950   39.329   1.2453 0.8263702 1.477440 
1 1 1    2   34    3 o   82.149   0.9730  6551.21  155.146  6634.30  221.146  6470.69  217.715   82.662   1.3782   81.636   1.3738 1.025543 1.945986 
1 1 1    2   34    4 o   11.371   2.1445  130.059   51.371   64.260   74.615  189.354   70.831   9.0292   3.2860   13.713   2.7565 -4.683693 4.289086 
1 1 1    2   34    5 o  136.595   1.3201 18120.68  349.931 18010.29  488.202 18237.32  501.836  136.169   1.8470  137.022   1.8867 -0.8533020 2.640256 
1 1 1    2   34    6 o  157.704   1.4131 24163.27  432.552 24275.78  608.772 24048.55  614.714  158.076   1.9839  157.332   2.0128 0.7437286 2.826145 
1 1 1    2   34    7 o  184.420   1.5661 33047.02  560.417 32986.15  780.830 33111.69  804.813  184.248   2.1832  184.592   2.2460 -0.3441467 3.132243 
1 1 1    2   34    8 o  115.519   1.2163 12968.09  272.584 13210.37  381.245 12714.71  389.884  116.625   1.6840  114.412   1.7555 2.212250 2.432628 
1 1 1    2   34    9 o   99.865   0.9944  9671.02  184.000  9638.13  228.186  9732.15  311.115   99.631   1.1799  100.099   1.6011 -0.4680481 1.988894 
1 1 1    2   34   10 o   98.333   0.9862  9370.13  178.874  9323.53  220.616  9459.54  305.595   97.987   1.1599   98.678   1.5954 -0.6911392 1.972420 
1 1 1    2   34   11 o   9.4543   2.0594   57.972   48.544 -17.3454   63.593  163.152   75.150   6.2202   2.7326   12.688   3.0817 -6.468143 4.118777 
1 1 1    2   34   12 o   75.947   0.8609  5563.01  120.523  5479.75  148.194  5725.65  207.128   75.121   1.0163   76.773   1.3898 -1.651619 1.721755 
1 1 1    2   34   13 o   26.793   1.0201  700.069   51.702  709.296   66.300  685.753   82.587   27.023   1.2639   26.564   1.6016 0.4585571 2.040265 
1 1 1    2   34   14 o   40.877   0.7911  1602.89   60.609  1549.09   75.772  1698.45  100.988   39.940   0.9773   41.814   1.2442 -1.874321 1.582132 
1 1 1    2   34   15 o   48.291   0.7743  2233.12   69.491  2158.63   85.907  2374.12  118.195   47.147   0.9387   49.435   1.2317 -2.287689 1.548594 
1 1 1    2   34   16 o   27.664   1.0465  742.723   54.445  739.348   68.853  748.354   88.940   27.585   1.2858   27.742   1.6515 -0.1576862 2.093065 
1 1 1    2   34   17 o   82.815   0.9302  6682.41  144.723  6734.72  183.307  6595.84  235.807   83.260   1.1342   82.370   1.4748 0.8898849 1.860445 
1 1 1    2   34   18 o  100.854   1.0655  9850.19  200.773  9740.46  251.167 10044.40  334.146  100.105   1.2925  101.602   1.6942 -1.496880 2.130964 
1 1 1    2   34   19 o   92.539   1.0360  8321.48  178.640  8303.82  223.174  8352.99  298.034   92.429   1.2439   92.650   1.6571 -0.2213135 2.072014 
1 1 1    2   34   20 o  112.629   1.1598 12339.13  246.046 12307.49  312.111 12391.07  399.911  112.479   1.4295  112.779   1.8267 -0.3001022 2.319522 
1 1 1    2   34   21 o   14.820   2.3183  227.556   66.772  292.631   91.024  151.745   98.247   17.283   2.7132   12.357   3.7599 4.925181 4.636657 
1 1 1    2   34   22 o   56.253   0.9220  3028.00   97.816  2872.33  123.033  3295.45  161.267   54.338   1.1664   58.169   1.4282 -3.831394 1.843986 
1 1 1    2   34   23 o   45.690   0.9438  2053.80   81.996  2141.22  107.089  1929.91  127.476   46.897   1.1764   44.483   1.4763 2.413567 1.887641 
1 1 1    2   34   24 o   23.695   1.5116  558.065   68.280  587.943   90.020  517.586  104.778   24.483   1.8941   22.906   2.3564 1.577057 3.023295 
1 1 1    2   34   25 f   44.175   0.9566  1915.17   80.918  1960.53  106.782  1853.99  124.013   44.818   1.2274   43.532   1.4676 1.286755 1.913166 
1 1 1    2   34   26 o   28.738   1.2537  811.589   69.786  765.539   94.957  865.673  102.907   27.860   1.7558   29.617   1.7900 -1.756823 2.507374 
1 1 1    2   34   27 o   10.049   2.5121   67.445   69.858 -30.9464   96.199  177.221  101.612   7.3087   3.2767   12.790   3.8087 -5.481555 5.024216 
1 1 1    2   34   28 o   7.2652   2.3215 -40.7201   70.910  -4.5254   97.382 -81.5729  103.459   7.7558   3.3950   6.7747   3.1673 0.9810858 4.643002 
1 1 1    2   34   29 o   21.238   1.9055  465.980   78.297  419.796  106.513  520.274  115.488   20.080   2.7326   22.396   2.6564 -2.316011 3.810996 
1 1 1    2   34   30 o   10.385   2.7250   78.612   90.707 -125.8411  144.342  212.046  116.608   7.5175   3.5817   13.253   4.1077 -5.735840 5.449899 
1 1 1    2   35    0 o  258.176   1.6074 64646.09  795.658 64040.75  1043.96 65485.04  1229.01  256.756   2.0946  259.595   2.4389 -2.838806 3.214889 
1 1 1    2   35    1 o  123.774   1.1399 14869.22  264.246 14846.31  332.409 14908.54  435.560  123.654   1.3848  123.895   1.8110 -0.2416611 2.279837 
1 1 1    2   35    2 o  125.821   1.1401 15327.69  268.293 15203.66  336.316 15544.78  444.931  125.132   1.3846  126.509   1.8118 -1.377541 2.280258 
1 1 1    2   35    3 o  156.225   1.4344 23707.71  434.833 23614.31  606.153 23806.74  624.134  155.910   2.0028  156.540   2.0539 -0.6303101 2.868787 
1 1 1    2   35    4 o   87.679   1.0368  7465.19  176.469  7478.88  249.848  7451.57  249.283   87.759   1.4666   87.598   1.4660 0.1603546 2.073675 
1 1 1    2   35    5 o   67.045   0.8704  4363.66  113.267  4311.86  158.775  4417.33  161.631   66.640   1.2274   67.450   1.2345 -0.8099213 1.740789 
1 1 1    2   35    6 o  103.850   1.1587 10473.73  233.570 10428.74  328.630 10519.65  332.033  103.624   1.6337  104.075   1.6435 -0.4502487 2.317367 
1 1 1    2   35    7 o  117.928   1.2398 13506.89  283.774 13849.98  403.341 13170.60  399.324  119.411   1.7401  116.444   1.7666 2.966888 2.479658 
1 1 1    2   35    8 f  103.227   1.1490 10347.81  230.190 10238.18  321.702 10462.82  329.514  102.667   1.6142  103.786   1.6356 -1.119171 2.297978 
1 1 1    2   35    9 o   64.887   0.7896  4081.58   95.194  4065.17  118.442  4111.52  159.988   64.707   0.9429   65.067   1.2667 -0.3597870 1.579104 
1 1 1    2   35   10 o   92.751   0.9568  8383.28  164.855  8451.21  205.697  8261.30  275.646   93.288   1.1359   92.214   1.5399 1.074409 1.913507 
1 1 1    2   35   11 o  110.578   1.0910 11971.99  224.623 12215.29  281.993 11549.61  371.546  112.144   1.2954  109.012   1.7558 3.131699 2.181924 
1 1 1    2   35   12 o   70.291   0.8255  4812.37  108.255  4848.77  135.789  4748.88  179.325   70.663   0.9899   69.919   1.3212 0.7446899 1.650948 
1 1 1    2   35   13 o   41.470   0.7974  1694.46   61.977  1770.87   79.056  1572.60   99.831   42.705   0.9537   40.236   1.2782 2.468975 1.594743 
1 1 1    2   35   14 o   12.916   2.0632  164.008   52.954   96.644   72.410  241.458   77.641   10.091   3.2513   15.742   2.5408 -5.650683 4.126337 
1 1 1    2   35   15 f   67.876   0.8334  4478.89  105.407  4487.48  131.821  4463.66  175.531   67.974   0.9990   67.777   1.3342 0.1974411 1.666738 
1 1 1    2   35   16 o   27.691   1.0365  742.358   54.323  732.031   69.262  758.865   87.567   27.447   1.3000   27.936   1.6148 -0.4895782 2.073026 
1 1 1    2   35   17 f   50.819   0.8201  2522.78   77.988  2561.28   98.420  2457.81  127.848   51.351   0.9874   50.288   1.3097 1.062557 1.640160 
1 1 1    2   35   18 o   87.736   0.9820  7463.98  160.527  7411.56  200.275  7558.18  268.461   87.328   1.1814   88.144   1.5690 -0.8156204 1.964069 
1 1 1    2   35   19 o   35.845   0.9661  1242.76   66.925  1182.12   89.700  1318.90  100.512   34.866   1.3253   36.823   1.4061 -1.957432 1.932291 
1 1 1    2   35   20 o   44.048   0.9246  1886.17   77.855  1882.72  101.595  1891.07  121.184   44.007   1.1893   44.090   1.4159 -0.8250809E-01 1.849128 
1 1 1    2   35   21 o   65.727   0.9057  4193.93  112.595  4164.51  143.625  4240.85  181.366   65.445   1.1305   66.009   1.4154 -0.5639801 1.811497 
1 1 1    2   35   22 o   74.850   0.9645  5495.79  135.543  5614.12  172.173  5302.91  219.812   75.953   1.1678   73.747   1.5355 2.206490 1.929085 
1 1 1    2   35   23 o   23.987   1.5304  577.042   69.431  635.734   91.658  498.022  106.352   25.485   1.8527   22.488   2.4363 2.997274 3.060754 
1 1 1    2   35   24 o   27.539   1.3392  751.486   69.411  775.138   88.785  714.304  111.318   28.142   1.6252   26.935   2.1290 1.206945 2.678442 
1 1 1    2   35   25 o   12.266   2.4208  157.809   67.201  245.917   90.073   47.200  100.922   15.348   3.1294   9.1845   3.6943 6.163344 4.841558 
1 1 1    2   35   26 o   22.923   1.5446  525.539   68.289  537.264   92.174  511.271  101.674   23.247   2.0426   22.600   2.3176 0.6462650 3.089242 
1 1 1    2   35   27 o   30.265   1.2756  910.868   74.586  935.583  101.553  881.923  109.900   30.748   1.7014   29.782   1.9010 0.9656391 2.551170 
1 1 1    2   35   28 o   12.582   2.7750  177.086   75.166  182.936  104.628  170.848  108.056   12.772   3.8788   12.392   3.9695 0.3792324 5.550000 
1 1 1    2   35   29 o   30.572   1.3835  942.146   81.973  923.581  112.368  963.265  119.848   30.277   1.9119   30.867   2.0002 -0.5902004 2.766984 
1 1 1    2   36    0 f  221.847   1.5142 47661.54  641.582 46955.27  832.743 48693.07  1006.39  219.852   1.9513  223.843   2.3161 -3.990509 3.028497 
1 1 1    2   36    1 o   73.751   0.8202  5276.08  111.214  5265.84  136.783  5296.05  191.032   73.649   0.9567   73.853   1.3325 -0.2034302 1.640419 
1 1 1    2   36    2 o  146.539   1.2538 20833.27  346.124 20756.71  438.970 20959.11  562.763  146.197   1.5468  146.882   1.9738 -0.6847382 2.507643 
1 1 1    2   36    3 o   61.731   0.7553  3646.97   84.418  3557.37  101.761  3844.73  151.180   60.535   0.8660   62.927   1.2376 -2.391602 1.510519 
1 1 1    2   36    4 o   87.318   1.0316  7404.95  174.832  7507.74  246.476  7300.87  248.032   87.928   1.4440   86.708   1.4736 1.220764 2.063200 
1 1 1    2   36    5 o  106.271   1.1617 10967.95  239.621 10945.40  335.813 10991.33  342.023  106.160   1.6296  106.382   1.6562 -0.2214050 2.323493 
1 1 1    2   36    6 o   89.734   1.0509  7819.81  183.063  7822.80  258.541  7816.80  259.241   89.751   1.4840   89.717   1.4886 0.3457642E-01 2.101890 
1 1 1    2   36    7 o   55.801   0.8567  3021.51   92.768  3099.62  133.334  2948.22  129.153   56.499   1.2157   55.102   1.2075 1.396950 1.713446 
1 1 1    2   36    8 o   48.765   0.8370  2309.16   79.222  2351.67  112.427  2267.23  111.649   49.211   1.1769   48.320   1.1903 0.8917847 1.673916 
1 1 1    2   36    9 o  171.260   1.3455 28596.41  429.261 28823.54  537.477 28196.34  713.316  172.238   1.6076  170.283   2.1580 1.955521 2.690926 
1 1 1    2   36   10 o   15.542   1.5804  231.244   46.578  218.675   59.113  251.826   75.644   14.997   2.0306   16.087   2.4223 -1.090644 3.160815 
1 1 1    2   36   11 o  108.283   1.0658 11430.36  213.065 11516.03  263.894 11269.94  361.116  108.886   1.2485  107.680   1.7276 1.206276 2.131532 
1 1 1    2   36   12 o   89.099   0.9560  7734.15  157.797  7786.83  196.177  7637.60  265.587   89.542   1.1286   88.656   1.5432 0.8864059 1.911923 
1 1 1    2   36   13 o   81.990   0.9099  6543.63  137.734  6571.99  170.446  6490.26  233.812   82.259   1.0674   81.721   1.4739 0.5380325 1.819827 
1 1 1    2   36   14 o   72.370   0.8420  5093.87  113.209  5108.58  141.087  5067.27  189.701   72.527   1.0021   72.214   1.3533 0.3123016 1.683917 
1 1 1    2   36   15 o   60.076   0.7950  3527.85   89.798  3596.82  114.232  3416.30  145.282   60.856   0.9670   59.296   1.2622 1.559914 1.590004 
1 1 1    2   36   16 o   17.280   2.1959  320.974   67.135  223.587  109.482  379.660   84.988   14.818   3.7907   19.742   2.2177 -4.923363 4.391804 
1 1 1    2   36   17 o   58.721   0.8413  3376.28   93.158  3462.91  119.249  3240.62  149.225   59.704   1.0289   57.738   1.3314 1.965992 1.682673 
1 1 1    2   36   18 o   47.791   0.8631  2199.71   78.009  2133.92   98.992  2307.50  126.715   46.863   1.0882   48.718   1.3399 -1.854874 1.726113 
1 1 1    2   36   19 o   55.331   0.8577  2953.75   89.630  2881.76  113.601  3072.48  145.881   54.454   1.0747   56.207   1.3370 -1.753216 1.715410 
1 1 1    2   36   20 o   31.048   1.1942  943.135   71.281  972.130   95.315  906.341  107.372   31.600   1.5538   30.496   1.8138 1.104650 2.388365 
1 1 1    2   36   21 o   35.549   1.0554  1232.86   72.032  1244.33   95.330  1217.60  109.969   35.752   1.3736   35.347   1.6027 0.4052238 2.110803 
1 1 1    2   36   22 o   81.564   0.9878  6510.52  151.339  6591.84  191.926  6376.83  246.083   82.284   1.2016   80.844   1.5681 1.440437 1.975516 
1 1 1    2   36   23 f   35.632   1.1148  1233.62   76.125  1197.82   99.349  1284.53  118.470   35.027   1.4612   36.238   1.6841 -1.210846 2.229646 
1 1 1    2   36   24 o   14.330   2.4774  214.692   68.055  206.398   91.513  224.954  101.795   14.038   3.3954   14.621   3.6085 -0.5834932 4.954762 
1 1 1    2   36   25 o   26.562   1.3759  696.163   70.718  683.025   95.866  711.846  104.742   26.304   1.8775   26.820   2.0119 -0.5158596 2.751830 
1 1 1    2   36   26 o   37.106   1.1101  1358.62   79.390  1372.43  106.461  1341.31  119.159   37.354   1.4682   36.858   1.6655 0.4958267 2.220229 
1 1 1    2   36   27 o   11.394   2.6348  138.314   68.075  162.856   91.251  107.515  102.226   12.220   3.6020   10.569   3.8463 1.651340 5.269528 
1 1 1    2   36   28 o   11.372   2.6489  133.479   70.656   75.812   96.789  199.270  103.381   9.4845   3.6784   13.260   3.8127 -3.775745 5.297867 
1 1 1    2   36   29 o   8.8628   2.7440   15.423   88.732   25.032  138.183   8.6804  115.749   9.2979   4.0577   8.4278   3.6949 0.8700981 5.487954 
1 1 1    2   37    0 o   25.708   0.8461  640.010   41.245  634.038   52.821  649.339   66.020   25.555   1.0648   25.860   1.3152 -0.3046894 1.692163 
1 1 1    2   37    1 f  130.975   1.1960 16652.85  293.091 16629.83  368.199 16692.68  484.225  130.863   1.4494  131.087   1.9029 -0.2235565 2.392069 
1 1 1    2   37    2 o   96.790   0.9755  9071.79  173.964  9017.88  214.240  9176.12  298.063   96.376   1.1452   97.204   1.5796 -0.8283157 1.951070 
1 1 1    2   37    3 o   80.485   0.8700  6268.46  128.955  6223.23  158.697  6356.38  221.252   80.064   1.0211   80.907   1.4088 -0.8429260 1.739900 
1 1 1    2   37    4 o   50.408   0.8453  2462.63   82.602  2291.93  114.373  2648.74  119.424   48.585   1.2127   52.231   1.1779 -3.645630 1.690580 
1 1 1    2   37    5 o  114.653   1.2284 12767.90  273.305 12717.08  381.304 12821.59  391.937  114.420   1.7167  114.887   1.7574 -0.4669418 2.456790 
1 1 1    2   37    6 o   82.096   0.9936  6545.57  158.308  6545.05  221.472  6546.11  226.372   82.093   1.3898   82.099   1.4204 -0.5538940E-02 1.987237 
1 1 1    2   37    7 o   60.220   0.8674  3521.27  101.365  3503.76  141.526  3539.71  145.249   60.067   1.2138   60.373   1.2394 -0.3066406 1.734731 
1 1 1    2   37    8 o   62.493   0.8883  3792.75  107.715  3940.09  153.187  3648.65  151.490   63.694   1.2390   61.292   1.2732 2.402054 1.776565 
1 1 1    2   37    9 o   67.434   0.8099  4435.43  101.310  4482.67  126.269  4350.09  169.733   67.946   0.9573   66.923   1.3066 1.023651 1.619750 
1 1 1    2   37   10 o   48.508   0.7552  2265.43   67.632  2222.87   83.227  2348.18  116.050   47.847   0.8961   49.170   1.2159 -1.322338 1.510378 
1 1 1    2   37   11 o   69.915   0.8328  4809.92  108.033  4970.74  135.519  4529.53  178.937   71.547   0.9758   68.283   1.3500 3.263657 1.665679 
1 1 1    2   37   12 o   18.609   1.4794  345.188   51.051  368.284   64.658  306.958   83.188   19.463   1.7114   17.754   2.4137 1.708742 2.958856 
1 1 1    2   37   13 o   23.499   1.1342  516.071   50.372  452.152   63.060  628.756   83.728   21.569   1.5061   25.430   1.6962 -3.861042 2.268340 
1 1 1    2   37   14 o   40.095   0.8227  1526.94   62.029  1430.69   77.501  1698.48  103.465   38.380   1.0402   41.810   1.2748 -3.430595 1.645377 
1 1 1    2   37   15 o   81.836   0.9256  6499.52  141.333  6476.98  176.812  6539.43  235.210   81.654   1.1155   82.019   1.4773 -0.3653488 1.851168 
1 1 1    2   37   16 o   15.137   1.9013  227.318   53.986  226.544   71.150  228.368   82.880   15.243   2.4046   15.032   2.9457 0.2110796 3.802582 
1 1 1    2   37   17 o   72.882   0.9021  5174.25  122.489  5202.31  153.290  5124.69  203.728   73.172   1.0792   72.592   1.4458 0.5793152 1.804132 
1 1 1    2   37   18 o   59.477   0.8458  3435.82   94.294  3427.56  118.742  3449.93  155.148   59.392   1.0299   59.562   1.3419 -0.1697960 1.691574 
1 1 1    2   37   19 o   61.540   0.8510  3655.30   99.034  3568.21  125.806  3797.19  160.586   60.593   1.0696   62.486   1.3239 -1.892330 1.701986 
1 1 1    2   37   20 o   38.032   0.9975  1397.08   72.892  1337.99   95.607  1479.11  112.647   37.084   1.3281   38.979   1.4887 -1.894779 1.995056 
1 1 1    2   37   21 o   23.052   1.5285  513.207   67.204  392.856   89.942  665.328  101.119   20.019   2.3145   26.085   1.9970 -6.066114 3.056906 
1 1 1    2   37   22 o   19.233   1.8490  369.730   67.984  404.658   91.590  326.875  101.452   20.290   2.3254   18.176   2.8754 2.114214 3.698017 
1 1 1    2   37   23 o   27.319   1.2777  732.400   67.674  764.525   95.011  699.319   96.416   27.935   1.7521   26.702   1.8601 1.233576 2.555365 
1 1 1    2   37   24 o   39.115   0.9795  1502.46   73.754  1551.91   99.110  1441.10  110.410   39.861   1.2809   38.370   1.4823 1.490360 1.959082 
1 1 1    2   37   25 o   15.611   2.2358  255.645   65.366  226.629   89.452  288.894   95.753   14.618   3.2377   16.605   3.0842 -1.987185 4.471563 
1 1 1    2   37   26 o   22.651   1.6009  514.224   70.044  515.846   94.629  512.260  104.171   22.727   2.1450   22.575   2.3771 0.1515579 3.201805 
1 1 1    2   37   27 o   34.641   1.1632  1182.16   77.674  1127.78  102.993  1253.89  118.284   33.755   1.5718   35.527   1.7151 -1.771679 2.326431 
1 1 1    2   37   28 o   12.113   2.7384  162.933   74.266  207.620  106.027  119.890  104.058   13.458   3.8588   10.768   3.8864 2.689805 5.476715 
1 1 1    2   37   29 o   8.5604   2.6555 -32.7891   88.288  101.507  136.513 -129.3501  115.756   10.575   4.2814   6.5457   3.1425 4.029291 5.310911 
1 1 1    2   38    0 o  122.876   1.7651 14859.98  304.332 14943.13  331.468 14413.60  768.000  124.051   1.3765  121.701   3.2509 2.349792 3.530296 
1 1 1    2   38    1 o   80.394   0.8704  6287.13  129.080  6312.91  159.579  6238.33  219.532   80.638   1.0195   80.151   1.4110 0.4874268 1.740749 
1 1 1    2   38    2 o   61.982   0.7623  3752.36   86.706  3800.00  106.838  3660.45  148.404   62.565   0.8797   61.399   1.2451 1.165787 1.524548 
1 1 1    2   38    3 o  109.294   1.0776 11569.38  218.003 11496.01  269.855 11707.23  369.880  108.807   1.2776  109.781   1.7357 -0.9739075 2.155210 
1 1 1    2   38    4 o  168.989   1.5268 27757.50  500.684 27790.61  699.618 27722.75  716.843  169.096   2.1314  168.883   2.1866 0.2126923 3.053545 
1 1 1    2   38    5 o   18.481   1.5406  332.062   55.264  335.036   77.904  329.050   78.409   18.565   2.1618   18.397   2.1956 0.1670742 3.081202 
1 1 1    2   38    6 o   40.265   0.8676  1572.83   67.695  1446.04   94.173  1708.39   97.377   38.587   1.2572   41.943   1.1960 -3.355736 1.735245 
1 1 1    2   38    7 o   13.591   2.0695  185.748   53.025  217.553   77.525  157.788   72.686   14.703   2.8188   12.479   3.0308 2.224058 4.139013 
1 1 1    2   38    8 o   52.474   3.5011  2706.99  355.777  2553.33  510.508  2852.08  496.090   51.000   5.1567   53.948   4.7372 -2.948658 7.002301 
1 1 1    2   38    9 o  103.289   1.0225 10328.66  194.900 10249.03  240.354 10481.56  333.049  102.725   1.2053  103.853   1.6521 -1.127754 2.045029 
1 1 1    2   38   10 o   65.124   2.5660  3890.78  114.172  3874.23  115.936  4422.18  656.848   63.165   0.9455   67.083   5.0441 -3.917561 5.131996 
1 1 1    2   38   11 o   78.587   0.8837  5938.67  127.332  5818.69  155.497  6182.88  221.840   77.405   1.0349   79.769   1.4326 -2.364388 1.767326 
1 1 1    2   38   12 o  112.803   1.1164 12435.02  231.969 12581.97  286.905 12157.63  394.191  113.798   1.2988  111.808   1.8162 1.990189 2.232832 
1 1 1    2   38   13 o   18.424   1.5493  349.488   50.801  386.413   62.681  278.810   86.721   19.936   1.6197   16.911   2.6417 3.025087 3.098673 
1 1 1    2   38   14 o   84.007   0.9276  6865.04  144.623  6882.94  179.986  6832.44  242.950   84.176   1.1015   83.837   1.4928 0.3386536 1.855235 
1 1 1    2   38   15 o   65.370   0.8357  4177.85  102.630  4258.03  130.376  4047.23  166.414   66.209   1.0144   64.531   1.3285 1.677727 1.671495 
1 1 1    2   38   16 o  118.440   1.1819 13658.67  263.745 13686.99  335.093 13612.57  427.568  118.638   1.4550  118.243   1.8628 0.3947449 2.363713 
1 1 1    2   38   17 o   62.260   0.8443  3782.22   98.899  3829.19  125.710  3705.92  160.211   62.780   1.0315   61.740   1.3368 1.039749 1.688512 
1 1 1    2   38   18 o   56.623   0.8428  3086.07   89.397  3003.25  111.834  3232.65  148.786   55.593   1.0363   57.654   1.3294 -2.061710 1.685626 
1 1 1    2   38   19 o   92.466   1.0305  8340.66  178.917  8401.24  226.434  8239.98  291.914   92.946   1.2550   91.987   1.6348 0.9589462 2.060975 
1 1 1    2   38   20 f   46.854   0.8908  2147.40   79.758  2205.43  104.797  2067.52  122.958   47.621   1.1337   46.087   1.3744 1.534290 1.781629 
1 1 1    2   38   21 o   66.528   0.9213  4335.57  116.035  4426.78  149.350  4196.67  184.304   67.443   1.1408   65.612   1.4471 1.830521 1.842651 
1 1 1    2   38   22 o   35.436   1.0897  1235.70   73.790  1285.12   97.359  1168.99  113.113   36.297   1.3818   34.576   1.6853 1.720921 2.179361 
1 1 1    2   38   23 o   14.425   2.3661  208.917   66.090  135.283   87.125  308.709  101.426   11.536   3.5465   17.314   3.1331 -5.778064 4.732265 
1 1 1    2   38   24 o   19.436   1.7487  370.005   65.074  295.003   86.431  468.162   98.876   17.177   2.5922   21.696   2.3478 -4.518854 3.497320 
1 1 1    2   38   25 o   11.836   2.4789  146.039   64.313   83.138   91.151  208.394   90.754   9.7500   3.6178   13.923   3.3897 -4.172533 4.957738 
1 1 1    2   38   26 f   29.005   1.2403  834.884   69.733  869.855   97.558  798.352   99.712   29.647   1.6952   28.363   1.8110 1.283257 2.480623 
1 1 1    2   38   27 o   9.2115   2.6193   56.306   71.678   35.460   96.480   81.987  107.085   8.5226   3.5405   9.9005   3.8609 -1.377885 5.238500 
1 1 1    2   38   28 f   18.855   2.0685  374.501   75.582  347.565  103.878  404.804  110.177   18.122   2.9529   19.588   2.8976 -1.465506 4.137087 
1 1 1    2   39    0 o   39.379   2.6097  1157.11   58.362  1143.47   58.873  1932.26  443.739   34.320   0.8837   44.438   5.1441 -10.11831 5.219449 
1 1 1    2   39    1 o   47.900   0.7149  2214.52   62.258  2190.61   75.567  2265.04  109.847   47.503   0.8195   48.298   1.1716 -0.7949600 1.429800 
1 1 1    2   39    2 o  125.985   1.1723 15377.96  274.275 15278.58  340.825 15560.61  462.030  125.425   1.3999  126.545   1.8809 -1.119591 2.344630 
1 1 1    2   39    3 o  110.480   1.0744 11872.44  221.065 11913.70  276.366 11799.15  368.362  110.759   1.2854  110.200   1.7220 0.5590286 2.148825 
1 1 1    2   39    4 o   82.064   1.0136  6538.52  161.400  6442.39  224.596  6641.19  232.097   81.441   1.4207   82.686   1.4460 -1.245857 2.027131 
1 1 1    2   39    5 o  173.710   1.5761 29348.28  531.328 29433.18  743.651 29259.74  759.420  173.971   2.2020  173.450   2.2555 0.5216675 3.152192 
1 1 1    2   39    6 o  119.148   1.2692 13793.43  293.150 13720.76  403.790 13874.42  426.277  118.820   1.7507  119.476   1.8380 -0.6555557 2.538316 
1 1 1    2   39    7 o  119.551   1.2722 13891.25  295.178 13872.24  412.992 13911.11  422.045  119.469   1.7808  119.633   1.8174 -0.1638412 2.544439 
1 1 1    2   39    8 o   74.033   0.9537  5325.26  136.987  5356.63  191.025  5292.05  196.552   74.259   1.3252   73.808   1.3719 0.4512177 1.907390 
1 1 1    2   39    9 o   61.070   0.7877  3640.42   89.084  3684.36  110.856  3560.30  149.678   61.599   0.9271   60.541   1.2736 1.057320 1.575311 
1 1 1    2   39   10 o  165.526   1.4008 26712.56  432.092 26878.97  541.019 26419.45  718.025  166.289   1.6760  164.764   2.2450 1.525452 2.801618 
1 1 1    2   39   11 o   62.333   0.8013  3824.72   93.296  3972.34  118.215  3580.94  151.916   63.957   0.9522   60.710   1.2891 3.246513 1.602608 
1 1 1    2   39   12 o   41.406   0.8057  1669.21   62.495  1680.18   78.806  1650.61  102.586   41.594   0.9760   41.218   1.2822 0.3764534 1.611380 
1 1 1    2   39   13 o   76.491   0.8797  5679.07  124.937  5665.56  155.376  5703.79  210.152   76.374   1.0480   76.608   1.4132 -0.2341461 1.759384 
1 1 1    2   39   14 o   67.594   0.8446  4461.37  106.888  4525.12  134.954  4354.07  175.089   68.255   1.0186   66.933   1.3476 1.321533 1.689208 
1 1 1    2   39   15 o   10.535   2.2594  109.391   54.045  156.560   70.340   41.415   84.440   12.409   2.9613   8.6604   3.4132 3.748863 4.518756 
1 1 1    2   39   16 o   63.112   0.8493  3862.76  100.312  3839.67  125.915  3902.89  165.964   62.866   1.0318   63.359   1.3494 -0.4932442 1.698679 
1 1 1    2   39   17 o   75.865   0.9171  5589.44  129.921  5570.59  162.720  5622.60  215.786   75.708   1.1072   76.022   1.4622 -0.3143539 1.834150 
1 1 1    2   39   18 o   72.741   0.9045  5120.92  122.600  5059.72  152.792  5231.55  205.431   72.152   1.0909   73.330   1.4432 -1.177483 1.809097 
1 1 1    2   39   19 o   40.196   0.9412  1561.57   71.528  1527.53   90.868  1617.02  115.975   39.634   1.1811   40.758   1.4658 -1.123837 1.882454 
1 1 1    2   39   20 o   45.813   0.9197  2029.18   80.696  1960.80  105.041  2127.65  126.053   44.887   1.2055   46.738   1.3894 -1.850555 1.839455 
1 1 1    2   39   21 o   34.823   1.0781  1171.87   72.158  1107.44   94.578  1261.61  111.620   33.698   1.4458   35.948   1.5996 -2.249874 2.156175 
1 1 1    2   39   22 o   24.777   1.3888  601.008   66.502  586.013   89.446  619.542   99.443   24.444   1.8851   25.111   2.0401 -0.6672230 2.777667 
1 1 1    2   39   23 o   21.837   1.6233  471.844   68.745  474.567   95.319  468.892   99.241   21.913   2.2409   21.762   2.3492 0.1507511 3.246597 
1 1 1    2   39   24 o   27.776   1.3000  772.954   69.000  864.584   93.788  664.839  101.875   29.648   1.6296   25.905   2.0259 3.742788 2.600017 
1 1 1    2   39   25 o   12.295   2.5970  161.213   66.592  146.410   90.092  179.041   98.870   11.735   3.6062   12.855   3.7381 -1.119346 5.193976 
1 1 1    2   39   26 o   38.318   1.0820  1446.80   79.911  1422.06  106.449  1478.74  120.958   37.980   1.4438   38.656   1.6120 -0.6758270 2.164035 
1 1 1    2   39   27 o   10.040   2.7241   90.111   74.411   81.933  102.263   99.313  108.476   9.7580   3.7819   10.323   3.9217 -0.5646029 5.448208 
1 1 1    2   39   28 o   12.091   3.0588  163.520   89.319  195.842  142.515  142.611  114.623   12.828   4.5572   11.353   4.0812 1.475804 6.117537 
1 1 1    2   40    0 f   61.606   2.6375  4006.64  109.633  4028.43  111.554  3390.03  593.384   64.415   0.8921   58.797   5.1989 5.617271 5.274905 
1 1 1    2   40    1 o   92.320   0.9708  8273.39  164.121  8263.36  201.079  8293.40  284.064   92.248   1.1229   92.393   1.5838 -0.1452332 1.941517 
1 1 1    2   40    2 o   46.468   0.7279  2052.43   61.016  1981.09   73.154  2215.55  110.610   45.173   0.8343   47.764   1.1930 -2.591465 1.455729 
1 1 1    2   40    3 o   24.828   1.0015  599.154   45.426  599.882   55.555  597.686   78.909   24.854   1.1515   24.802   1.6390 0.5242538E-01 2.003057 
1 1 1    2   40    4 o   38.176   0.7580  1398.53   52.575  1368.89   63.618  1462.38   93.376   37.549   0.8728   38.804   1.2397 -1.254650 1.516086 
1 1 1    2   40    5 o   61.282   0.8994  3648.01  106.963  3743.87  151.432  3552.57  151.105   62.086   1.2565   60.478   1.2871 1.607990 1.798719 
1 1 1    2   40    6 o   97.028   1.1318  9151.14  213.087  9287.18  298.551  9009.88  304.230   97.765   1.5732   96.290   1.6276 1.474365 2.263621 
1 1 1    2   40    7 o   75.775   0.9790  5578.14  144.003  5593.72  203.828  5562.60  203.476   75.881   1.3838   75.669   1.3852 0.2114563 1.957999 
1 1 1    2   40    8 o   69.064   0.9258  4622.88  123.949  4439.82  169.916  4831.07  181.209   67.606   1.2947   70.521   1.3237 -2.914680 1.851643 
1 1 1    2   40    9 o   60.648   0.8017  3595.88   90.159  3653.53  112.473  3492.24  150.805   61.339   0.9446   59.957   1.2957 1.381893 1.603489 
1 1 1    2   40   10 o   18.042   1.4205  318.776   47.985  324.743   60.661  308.801   78.436   18.275   1.7099   17.809   2.2688 0.4661999 2.841037 
1 1 1    2   40   11 o   80.675   1.0209  6317.20  159.681  6173.47  219.491  6478.80  232.736   79.703   1.4187   81.647   1.4684 -1.943550 2.041793 
1 1 1    2   40   12 o  105.822   1.1022 10775.39  213.389 10561.62  260.046 11216.08  373.367  104.258   1.2849  107.385   1.7911 -3.126686 2.204343 
1 1 1    2   40   13 o   60.357   0.8040  3516.99   90.574  3460.22  113.012  3618.94  151.449   59.688   0.9754   61.027   1.2784 -1.338615 1.608039 
1 1 1    2   40   14 o   22.420   1.3414  486.199   57.061  475.191   72.934  503.569   91.617   22.101   1.7000   22.739   2.0756 -0.6376705 2.682890 
1 1 1    2   40   15 o   21.053   1.4029  425.926   56.617  397.195   73.504  467.839   88.779   20.196   1.8749   21.910   2.0873 -1.714001 2.805724 
1 1 1    2   40   16 o   73.305   0.9010  5251.67  123.850  5334.10  156.779  5114.84  201.989   74.090   1.0901   72.520   1.4348 1.569679 1.801959 
1 1 1    2   40   17 o   38.128   0.9570  1435.78   68.812  1517.39   88.932  1314.01  108.626   39.510   1.1595   36.747   1.5228 2.763004 1.914030 
1 1 1    2   40   18 o   47.648   0.8916  2233.74   80.821  2355.59  106.058  2064.96  124.815   49.226   1.1099   46.069   1.3957 3.157375 1.783213 
1 1 1    2   40   19 o   9.5597   2.5092   66.502   61.551   46.767   80.196   94.792   96.017   8.6187   3.3467   10.501   3.7395 -1.882090 5.018374 
1 1 1    2   40   20 o   52.241   0.8980  2641.67   88.587  2590.07  112.376  2726.38  143.980   51.591   1.1221   52.892   1.4023 -1.301403 1.796007 
1 1 1    2   40   21 o   13.861   2.2663  201.229   63.767  289.795   87.881  102.751   92.668   17.126   2.6435   10.596   3.6818 6.530179 4.532531 
1 1 1    2   40   22 o   12.230   2.5280  155.803   64.701  183.261   86.635  121.173   97.292   13.252   3.3624   11.209   3.7759 2.042937 5.056067 
1 1 1    2   40   23 o   42.216   0.9507  1742.90   77.444  1741.64  104.000  1744.46  116.031   42.217   1.2691   42.216   1.4159 0.8392334E-03 1.901389 
1 1 1    2   40   24 o   14.054   2.3333  213.900   65.534  279.773   89.040  136.039   96.805   16.623   2.7593   11.484   3.7635 5.139503 4.666693 
1 1 1    2   40   25 o   10.255   2.5182   83.287   66.225   12.283   88.348  174.354  100.053   7.8289   3.3280   12.680   3.7801 -4.851292 5.036397 
1 1 1    2   40   26 o   42.123   1.0543  1769.00   85.112  1873.68  113.938  1636.86  128.022   43.615   1.3458   40.631   1.6232 2.984150 2.108511 
1 1 1    2   40   27 o   21.955   1.7791  493.997   75.499  435.875  103.015  561.446  110.973   20.532   2.5847   23.378   2.4454 -2.845829 3.558147 
1 1 1    2   40   28 o   14.457   2.9049  250.315   85.004  285.491  128.480  222.931  113.362   15.290   4.1999   13.624   4.0144 1.665908 5.809849 
1 1 1    2   41    0 o   22.343   4.0408  582.287   49.932  586.445   50.216  217.918  470.081   24.575   1.0526   20.111   8.0128 4.464470 8.081627 
1 1 1    2   41    1 o   46.450   0.7281  2100.87   61.517  2111.71   74.999  2078.59  107.544   46.638   0.8284   46.263   1.1975 0.3745499 1.456150 
1 1 1    2   41    2 o   53.937   0.7453  2777.46   72.217  2703.00   86.425  2949.74  131.462   52.764   0.8438   55.110   1.2289 -2.346230 1.490658 
1 1 1    2   41    3 o   38.174   0.7749  1412.81   53.382  1408.83   64.489  1421.49   95.147   38.093   0.8721   38.256   1.2812 -0.1634827 1.549896 
1 1 1    2   41    4 o   86.894   0.9320  7426.44  149.455  7644.58  186.113  7030.34  250.792   88.725   1.0806   85.064   1.5188 3.660927 1.863997 
1 1 1    2   41    5 o   77.577   1.0074  5847.02  151.698  5903.10  214.291  5790.69  214.776   77.950   1.4162   77.203   1.4331 0.7466278 2.014810 
1 1 1    2   41    6 o   82.512   1.0354  6614.62  165.809  6598.58  232.380  6631.25  236.657   82.411   1.4526   82.613   1.4757 -0.2024002 2.070715 
1 1 1    2   41    7 o  102.025   1.1866 10117.21  234.991 10209.46  332.412 10025.06  332.242  102.491   1.6708  101.560   1.6853 0.9309845 2.373125 
1 1 1    2   41    8 o   75.992   1.0020  5613.63  147.724  5705.47  206.598  5517.56  211.307   76.630   1.3889   75.354   1.4446 1.275757 2.003953 
1 1 1    2   41    9 o   27.251   1.1331  724.757   59.682  790.106   83.590  656.805   85.239   28.512   1.5103   25.991   1.6895 2.520691 2.266129 
1 1 1    2   41   10 o   48.644   0.7778  2294.15   70.849  2282.45   89.021  2314.36  117.012   48.480   0.9459   48.808   1.2350 -0.3282318 1.555661 
1 1 1    2   41   11 o   76.771   0.8749  5725.53  124.382  5724.20  154.291  5728.02  210.208   76.769   1.0353   76.772   1.4105 -0.2601624E-02 1.749724 
1 1 1    2   41   12 o   92.562   0.9993  8374.26  171.302  8487.02  213.266  8169.23  287.581   93.465   1.1755   91.659   1.6163 1.806320 1.998536 
1 1 1    2   41   13 f   21.879   1.3186  456.591   55.407  402.250   72.257  534.141   86.320   20.332   1.8308   23.427   1.8982 -3.095015 2.637220 
1 1 1    2   41   14 o   43.060   0.8516  1783.77   69.489  1721.70   88.399  1884.16  112.422   42.095   1.0818   44.025   1.3155 -1.930218 1.703159 
1 1 1    2   41   15 o   85.007   0.9717  7051.85  154.528  7124.97  194.705  6927.42  254.002   85.625   1.1714   84.389   1.5506 1.235672 1.943309 
1 1 1    2   41   16 o   61.412   0.8479  3670.55   98.239  3684.03  125.124  3648.88  158.620   61.571   1.0469   61.253   1.3340 0.3181381 1.695771 
1 1 1    2   41   17 o   53.126   0.8421  2721.43   84.081  2656.81  105.768  2832.41  138.598   52.286   1.0421   53.965   1.3231 -1.679123 1.684167 
1 1 1    2   41   18 o   18.791   1.7082  349.610   60.630  365.258   78.298  326.176   95.819   19.341   2.0854   18.240   2.7062 1.101042 3.416477 
1 1 1    2   41   19 o   54.918   0.8700  2928.22   89.905  2906.41  113.720  2964.58  146.817   54.664   1.0717   55.171   1.3709 -0.5072899 1.740068 
1 1 1    2   41   20 o   23.764   1.4000  547.279   63.845  517.298   83.280  590.019   99.435   22.995   1.8657   24.534   2.0879 -1.538698 2.800050 
1 1 1    2   41   21 o   13.681   2.3988  194.622   63.202  191.918   85.512  197.878   93.829   13.588   3.2795   13.774   3.5016 -0.1863184 4.797531 
1 1 1    2   41   22 o   13.831   2.4238  202.456   64.664  218.538   86.280  181.846   97.672   14.489   3.1570   13.172   3.6786 1.316341 4.847536 
1 1 1    2   41   23 o   39.919   1.0034  1552.72   77.352  1477.06  103.310  1649.27  116.695   38.832   1.3705   41.007   1.4660 -2.174316 2.006851 
1 1 1    2   41   24 o   23.091   1.5103  531.076   67.627  503.265   93.278  561.893   98.188   22.454   2.1400   23.728   2.1317 -1.274424 3.020591 
1 1 1    2   41   25 o   8.8406   2.5432   45.161   68.565   37.931   97.207   52.320   96.725   8.6775   3.5748   9.0036   3.6183 -0.3260708 5.086379 
1 1 1    2   41   26 o   27.219   1.4674  743.469   77.086  721.101  103.018  771.929  116.201   26.799   1.9803   27.638   2.1659 -0.8382435 2.934741 
1 1 1    2   41   27 o   29.703   1.4285  882.307   81.526  725.236  109.416  1078.34  122.236   26.711   2.1102   32.695   1.9260 -5.983259 2.856997 
1 1 1    2   42    0 o   50.768   2.9910  2647.16   84.498  2652.94   85.455  2393.25  566.360   52.273   0.8422   49.264   5.9224 3.008675 5.981963 
1 1 1    2   42    1 o   30.060   0.9076  868.410   48.848  854.102   58.442  901.581   88.984   29.657   1.0151   30.462   1.5048 -0.8045368 1.815212 
1 1 1    2   42    2 o   66.596   0.8113  4313.81   98.113  4325.94  119.362  4288.54  172.277   66.748   0.9212   66.444   1.3357 0.3037720 1.622565 
1 1 1    2   42    3 o   68.680   0.8181  4573.75  102.645  4559.22  125.396  4603.25  178.697   68.523   0.9427   68.838   1.3373 -0.3151321 1.636171 
1 1 1    2   42    4 o   53.897   0.7519  2864.72   74.347  2961.34   92.112  2684.10  125.935   55.227   0.8592   52.568   1.2341 2.658791 1.503767 
1 1 1    2   42    5 o   46.994   0.8712  2145.19   79.469  2155.29  111.803  2134.88  112.979   47.106   1.2227   46.882   1.2414 0.2241287 1.742445 
1 1 1    2   42    6 o   42.011   0.8927  1716.82   72.693  1797.55  101.905  1633.18  103.727   43.019   1.2203   41.002   1.3032 2.016212 1.785373 
1 1 1    2   42    7 o  104.523   1.1828 10621.92  239.964 10764.39  338.814 10478.54  339.908  105.228   1.6587  103.819   1.6866 1.409363 2.365583 
1 1 1    2   42    8 o   22.446   1.3166  488.674   57.244  470.264   77.971  510.200   84.312   21.989   1.8266   22.902   1.8965 -0.9128647 2.633105 
1 1 1    2   42    9 o   47.447   0.8660  2187.57   79.709  2202.52  110.882  2171.57  114.664   47.616   1.1996   47.278   1.2494 0.3375282 1.732087 
1 1 1    2   42   10 o   32.771   0.9149  1021.10   56.399  958.601   70.522  1132.01   93.942   31.413   1.1565   34.129   1.4180 -2.715668 1.829805 
1 1 1    2   42   11 o   45.609   0.8147  2027.41   69.133  2044.08   86.428  1997.80  115.192   45.876   0.9705   45.342   1.3088 0.5345230 1.629343 
1 1 1    2   42   12 o   86.604   1.0840  7295.92  182.126  7403.84  254.258  7182.20  261.006   87.265   1.5010   85.943   1.5645 1.322426 2.168077 
1 1 1    2   42   13 o   59.570   0.8343  3475.41   93.461  3562.01  119.098  3336.58  150.788   60.553   1.0132   58.588   1.3259 1.965855 1.668679 
1 1 1    2   42   14 o   82.360   0.9671  6556.15  146.762  6473.01  180.477  6718.46  252.168   81.616   1.1392   83.105   1.5631 -1.488976 1.934188 
1 1 1    2   42   15 o   87.915   0.9881  7536.05  162.440  7587.25  204.343  7448.15  267.749   88.347   1.1915   87.483   1.5767 0.8641357 1.976266 
1 1 1    2   42   16 o   44.149   0.8904  1877.69   74.971  1806.41   96.535  1986.03  119.009   43.109   1.1536   45.188   1.3567 -2.079620 1.780856 
1 1 1    2   42   17 o   34.376   1.0089  1156.96   66.553  1201.71   88.712  1099.35  100.655   35.149   1.3002   33.604   1.5431 1.545158 2.017804 
1 1 1    2   42   18 o   62.259   0.8662  3761.69  101.346  3733.33  127.938  3809.46  166.050   61.963   1.0637   62.555   1.3674 -0.5915337 1.732419 
1 1 1    2   42   19 o   20.761   1.5382  423.016   60.937  425.388   79.352  419.607   95.134   20.851   1.9605   20.671   2.3709 0.1804276 3.076480 
1 1 1    2   42   20 o   29.160   1.1740  818.288   65.727  749.361   85.604  917.277  102.587   27.696   1.5923   30.624   1.7257 -2.928900 2.348047 
1 1 1    2   42   21 o   12.972   2.4403  172.790   62.243  151.609   82.590  200.635   94.697   12.098   3.3841   13.845   3.5167 -1.746863 4.880524 
1 1 1    2   42   22 o   7.5959   2.3045 -25.1971   64.582 -92.4394   88.489   51.444   94.471   6.0992   2.8757   9.0927   3.6018 -2.993529 4.608970 
1 1 1    2   42   23 o   25.775   1.3717  655.265   68.347  576.853   93.636  744.683   99.992   24.116   2.0002   27.435   1.8775 -3.319519 2.743361 
1 1 1    2   42   24 o   11.101   2.5226  122.924   64.025   73.061   88.290  178.227   92.982   9.3712   3.5434   12.831   3.5913 -3.459486 5.045138 
1 1 1    2   42   25 o   30.889   1.2385  948.325   74.221  944.295  103.222  952.639  106.797   30.832   1.7247   30.946   1.7778 -0.1137295 2.476941 
1 1 1    2   42   26 o   24.485   2.1049  606.071  100.043  606.071  100.043   0.0000   0.0000   24.485   2.1049  ?   ?       ?      ? 
1 1 1    2   42   27 o   9.0268   2.5359   25.751   80.155 -149.1051  125.859  145.064  103.966   6.7225   3.2399   11.331   3.9019 -4.608449 5.071718 
1 1 1    2   43    0 o   61.084   2.8570  4062.92  114.233  4091.50  116.179  3231.30  626.734   64.913   0.9220   57.254   5.6391 7.658783 5.713972 
1 1 1    2   43    1 o  111.122   1.1069 11915.19  226.853 11734.56  279.079 12266.99  389.475  109.909   1.3081  112.334   1.7861 -2.425125 2.213850 
1 1 1    2   43    2 o   44.575   0.7594  1915.64   61.067  1892.25   73.589  1967.36  109.437   44.146   0.8587   45.005   1.2527 -0.8584862 1.518763 
1 1 1    2   43    3 o   86.753   0.9351  7311.75  148.659  7313.01  182.312  7309.27  256.801   86.777   1.0823   86.730   1.5253 0.4696655E-01 1.870290 
1 1 1    2   43    4 o   6.5944   2.0094 -16.6435   44.811 -36.8518   54.984   23.329   77.331   5.2859   2.4125   7.9029   3.2141 -2.616959 4.018785 
1 1 1    2   43    5 o   76.828   0.8738  5689.27  122.041  5608.64  148.008  5860.50  215.704   75.996   1.0033   77.660   1.4308 -1.664757 1.747555 
1 1 1    2   43    6 o   45.694   0.8763  2027.98   77.541  2021.84  105.965  2035.06  113.768   45.621   1.1965   45.768   1.2806 -0.1460724 1.752584 
1 1 1    2   43    7 o  100.730   1.1530  9864.90  225.367 10208.05  319.745  9526.12  317.699  102.473   1.6074   98.987   1.6534 3.486420 2.305956 
1 1 1    2   43    8 o   71.748   0.9762  5002.73  135.928  5150.71  192.719  4856.24  191.748   72.805   1.3636   70.691   1.3973 2.113831 1.952435 
1 1 1    2   43    9 o   28.187   1.1392  770.291   62.209  740.357   84.789  805.192   91.554   27.596   1.5828   28.777   1.6389 -1.181261 2.278460 
1 1 1    2   43   10 o   90.307   0.9699  7921.77  162.000  7912.24  200.602  7939.65  274.682   90.247   1.1451   90.367   1.5659 -0.1200333 1.939890 
1 1 1    2   43   11 o   49.736   0.8244  2398.62   75.834  2387.68   93.828  2419.23  128.777   49.581   0.9749   49.892   1.3297 -0.3111382 1.648761 
1 1 1    2   43   12 o   69.550   0.8620  4659.75  110.894  4568.62  136.730  4834.90  189.565   68.578   1.0271   70.523   1.3847 -1.944733 1.724073 
1 1 1    2   43   13 o  114.584   1.2136 12816.89  258.131 12911.75  321.742 12645.54  432.427  115.227   1.4384  113.940   1.9551 1.287331 2.427253 
1 1 1    2   43   14 o   26.252   1.2416  659.920   62.326  611.331   80.315  733.478   98.818   25.062   1.6509   27.442   1.8550 -2.379972 2.483231 
1 1 1    2   43   15 o   28.402   1.2036  802.409   64.108  861.704   82.615  712.661  101.639   29.762   1.4300   27.041   1.9363 2.721624 2.407109 
1 1 1    2   43   16 o  100.622   1.0921  9840.74  204.669  9802.33  255.430  9909.63  342.083  100.390   1.3107  100.855   1.7473 -0.4654846 2.184288 
1 1 1    2   43   17 o   29.478   1.1543  853.093   64.421  877.608   83.111  816.195  101.963   30.026   1.4259   28.930   1.8156 1.095951 2.308642 
1 1 1    2   43   18 f   11.107   2.5102  116.974   60.115  101.342   77.097  141.218   96.012   10.282   3.3581   11.933   3.7320 -1.651191 5.020463 
1 1 1    2   43   19 o   64.952   0.8990  4114.59  109.303  4126.98  137.582  4093.39  179.976   65.118   1.0884   64.787   1.4311 0.3305817 1.797947 
1 1 1    2   43   20 o   24.509   1.3592  580.778   63.716  542.502   82.256  638.197  100.745   23.530   1.8009   25.487   2.0363 -1.957514 2.718359 
1 1 1    2   43   21 o   38.580   0.9611  1439.33   71.573  1316.25   95.262  1598.85  108.454   36.710   1.3368   40.451   1.3812 -3.740791 1.922195 
1 1 1    2   43   22 o   48.996   0.9110  2350.31   85.363  2358.07  111.670  2339.41  132.406   49.128   1.1710   48.865   1.3959 0.2625122 1.821973 
1 1 1    2   43   23 o   23.897   1.3994  568.021   64.764  615.874   92.110  521.233   91.079   24.914   1.9046   22.880   2.0507 2.033758 2.798718 
1 1 1    2   43   24 o   9.9806   2.6042   90.929   66.587   93.469   95.737   88.548   92.675   10.082   3.7141   9.8788   3.6515 0.2035885 5.208445 
1 1 1    2   43   25 o   8.6850   2.5462   38.359   70.426   45.634   98.497   30.749  100.735   8.8168   3.6113   8.5532   3.5903 0.2636299 5.092354 
1 1 1    2   43   26 o   10.440   2.7144  110.161   72.319  101.219  101.183  119.499  103.402   10.172   3.8044   10.708   3.8727 -0.5361166 5.428746 
1 1 1    2   43   27 o   8.7946   2.6923   23.968   86.033 -42.0201  139.884   64.117  109.110   8.3163   3.8151   9.2729   3.7998 -0.9565144 5.384578 
1 1 1    2   44    0 o   47.047   3.3259  2255.34   77.786  2258.30   78.477  2089.30  587.512   48.227   0.8383   45.866   6.5987 2.360828 6.651718 
1 1 1    2   44    1 o   81.936   2.4238  7050.57  174.886  7115.66  180.318  6018.96  717.894   85.596   1.0852   78.276   4.7246 7.319504 4.847650 
1 1 1    2   44    2 o  112.582   1.1180 12356.46  233.557 12447.52  290.961 12191.49  391.628  113.190   1.3242  111.974   1.8017 1.216980 2.236032 
1 1 1    2   44    3 o   39.352   0.8171  1501.62   57.287  1497.75   68.503  1510.61  104.477   39.274   0.8986   39.430   1.3650 -0.1561165 1.634203 
1 1 1    2   44    4 o   51.907   0.7723  2590.80   72.369  2547.11   87.161  2687.76  129.852   51.216   0.8767   52.598   1.2718 -1.381557 1.544686 
1 1 1    2   44    5 o   49.233   0.7911  2358.43   69.745  2364.85   83.843  2344.01  125.669   49.350   0.8752   49.117   1.3180 0.2324257 1.582168 
1 1 1    2   44    6 o   16.389   1.9766  269.221   60.757  302.947   83.883  232.002   88.120   17.634   2.4505   15.143   3.1021 2.491561 3.953190 
1 1 1    2   44    7 o   14.071   2.1102  205.122   56.797  262.010   76.922  136.929   84.220   16.400   2.4163   11.742   3.4602 4.657411 4.220406 
1 1 1    2   44    8 o   44.063   0.9104  1885.61   77.850  1835.80  108.777  1937.91  111.464   43.466   1.2892   44.659   1.2858 -1.192589 1.820769 
1 1 1    2   44    9 o   94.838   1.1426  8745.80  210.305  8740.45  294.297  8751.39  300.636   94.811   1.5991   94.866   1.6325 -0.5565643E-01 2.285208 
1 1 1    2   44   10 o   60.245   0.8182  3522.80   91.270  3514.79  113.135  3537.74  154.456   60.156   0.9688   60.334   1.3188 -0.1779060 1.636428 
1 1 1    2   44   11 o   77.555   1.0447  5832.19  157.022  5564.43  214.792  6139.56  230.126   75.650   1.4627   79.460   1.4919 -3.810539 2.089322 
1 1 1    2   44   12 o   12.312   2.3233  154.000   55.897  157.509   72.136  148.727   88.429   12.440   3.0180   12.183   3.5330 0.2568121 4.646537 
1 1 1    2   44   13 o   68.857   0.8962  4622.83  115.025  4659.41  144.133  4558.69  190.882   69.248   1.0722   68.465   1.4362 0.7826233 1.792345 
1 1 1    2   44   14 o   47.945   0.8428  2187.99   75.353  2075.51   93.228  2399.92  127.972   46.215   1.0392   49.676   1.3271 -3.461502 1.685560 
1 1 1    2   44   15 o   28.088   1.1778  792.168   61.602  872.067   79.335  670.844   97.761   29.942   1.3650   26.233   1.9198 3.708788 2.355551 
1 1 1    2   44   16 o   41.563   0.9452  1652.60   73.698  1576.91   92.026  1787.95  123.060   40.270   1.1772   42.857   1.4792 -2.587093 1.890489 
1 1 1    2   44   17 f   46.683   0.8935  2133.32   78.547  2173.30  100.146  2069.41  126.616   47.271   1.0914   46.095   1.4150 1.176109 1.787029 
1 1 1    2   44   18 f   49.287   0.8992  2368.05   82.886  2373.80  104.175  2358.13  136.827   49.391   1.0865   49.182   1.4332 0.2094421 1.798487 
1 1 1    2   44   19 o   43.550   0.9497  1858.19   77.429  1882.73   97.738  1816.84  126.882   43.966   1.1452   43.134   1.5154 0.8325844 1.899426 
1 1 1    2   44   20 o   33.025   1.0474  1073.79   66.607  1149.44   90.842  985.830   97.954   34.310   1.3640   31.741   1.5898 2.569502 2.094704 
1 1 1    2   44   21 o   9.8950   2.4452   77.997   59.850   31.193   78.546  142.790   92.416   8.0103   3.2460   11.780   3.6578 -3.769457 4.890397 
1 1 1    2   44   22 o   17.149   1.8995  296.671   63.221  289.579   89.234  303.819   89.583   16.937   2.7142   17.362   2.6581 -0.4251385 3.798958 
1 1 1    2   44   23 o   20.508   1.6567  422.100   65.938  415.563   92.082  428.979   94.464   20.348   2.3312   20.667   2.3546 -0.3189754 3.313423 
1 1 1    2   44   24 o   29.243   1.2684  852.267   71.367  998.178  102.398  714.448   99.518   31.732   1.6624   26.754   1.9162 4.977831 2.536796 
1 1 1    2   44   25 o   11.476   2.6595  144.265   68.766  161.538   95.365  125.555   99.251   12.037   3.7121   10.916   3.8094 1.120823 5.318933 
1 1 1    2   44   26 o   14.594   2.5648  243.493   72.498  211.367   99.064  280.540  106.382   13.518   3.6775   15.670   3.5761 -2.152421 5.129578 
1 1 1    2   45    0 o   28.880   4.6996  609.457   54.269  605.473   54.476  1129.55  622.431   24.967   1.1240   32.794   9.3317 -7.827171 9.399142 
1 1 1    2   45    1 o   80.684   2.5531  6894.60  172.562  6956.83  177.407  5801.81  743.418   84.632   1.0799   76.736   4.9908 7.895638 5.106255 
1 1 1    2   45    2 o   64.964   0.8266  4163.93   97.496  4288.85  119.449  3914.59  168.752   66.457   0.9259   63.471   1.3696 2.985535 1.653255 
1 1 1    2   45    3 o   44.302   0.8034  1835.39   62.744  1744.32   73.677  2075.79  119.702   42.383   0.8955   46.221   1.3341 -3.838074 1.606822 
1 1 1    2   45    4 o   76.295   0.8852  5671.43  123.626  5704.40  151.680  5606.19  213.372   76.639   1.0196   75.951   1.4472 0.6874390 1.770311 
1 1 1    2   45    5 o   62.825   0.8124  3830.85   93.026  3824.58  113.431  3843.72  162.577   62.756   0.9311   62.895   1.3316 -0.1386871 1.624876 
1 1 1    2   45    6 o  103.689   1.2161 10454.96  244.768 10515.41  347.913 10395.72  344.423  103.986   1.7236  103.393   1.7161 0.5926361 2.432204 
1 1 1    2   45    7 o   80.956   1.0341  6369.72  162.486  6331.51  227.734  6409.33  231.902   80.709   1.4536   81.202   1.4712 -0.4930801 2.068170 
1 1 1    2   45    8 o   39.054   0.9312  1483.76   70.514  1525.55   98.300  1439.47  101.207   39.622   1.2780   38.485   1.3547 1.136848 1.862440 
1 1 1    2   45    9 o   47.254   0.9048  2169.72   82.963  2253.39  118.053  2088.07  116.615   48.154   1.2629   46.353   1.2960 1.801609 1.809591 
1 1 1    2   45   10 f   90.681   0.9873  8026.32  166.184  8105.87  207.262  7883.11  278.090   91.334   1.1690   90.027   1.5913 1.307564 1.974539 
1 1 1    2   45   11 o   38.507   0.8919  1422.16   64.766  1364.56   81.613  1520.14  106.440   37.473   1.1220   39.540   1.3868 -2.066406 1.783793 
1 1 1    2   45   12 o   25.049   1.2933  626.710   60.815  687.660   79.113  538.666   95.084   26.588   1.5328   23.510   2.0835 3.078138 2.586596 
1 1 1    2   45   13 o   63.366   0.8599  3950.48  102.246  4099.06  130.356  3712.91  164.830   64.948   1.0340   61.784   1.3743 3.163448 1.719852 
1 1 1    2   45   14 o   39.530   0.9480  1529.53   70.496  1560.85   89.776  1479.16  113.851   40.071   1.1541   38.988   1.5043 1.083424 1.896068 
1 1 1    2   45   15 o   74.088   0.9243  5305.30  127.182  5224.29  157.733  5455.84  215.021   73.308   1.1084   74.868   1.4795 -1.560463 1.848664 
1 1 1    2   45   16 o   22.902   1.4756  487.864   63.990  394.118   80.701  646.620  105.019   20.083   2.0701   25.721   2.1033 -5.638309 2.951128 
1 1 1    2   45   17 o   43.672   0.9237  1861.94   75.311  1873.53   94.529  1841.80  124.608   43.880   1.1098   43.465   1.4769 0.4153404 1.847370 
1 1 1    2   45   18 o   25.977   1.3348  676.957   64.460  725.826   82.076  598.292  104.133   27.267   1.5507   24.686   2.1730 2.580219 2.669575 
1 1 1    2   45   19 o   12.640   2.4033  169.658   59.982  188.909   76.047  137.965   97.576   13.519   2.9782   11.760   3.7727 1.759626 4.806536 
1 1 1    2   45   20 o   40.067   0.9497  1562.30   71.750  1543.30   90.960  1593.59  116.735   39.776   1.1780   40.358   1.4901 -0.5824623 1.899489 
1 1 1    2   45   21 o   23.302   1.4147  529.430   63.237  428.251   84.470  658.441   95.383   20.784   2.0937   25.819   1.9031 -5.034504 2.829364 
1 1 1    2   45   22 o   32.644   1.0925  1047.81   69.175  1003.30   95.602  1096.71  100.218   31.919   1.5430   33.370   1.5471 -1.451460 2.185028 
1 1 1    2   45   23 f   12.567   2.3227  158.123   65.933   38.086   90.435  294.321   96.330   8.4802   3.4654   16.654   3.0936 -8.173878 4.645352 
1 1 1    2   45   24 o   22.084   1.6798  498.413   71.575  541.781   99.374  451.664  103.176   23.154   2.2109   21.013   2.5294 2.141163 3.359512 
1 1 1    2   45   25 o   8.0144   2.4418   11.479   69.221   31.068   98.942  -7.3005   96.877   8.4295   3.5494   7.5994   3.3543 0.8300538 4.883563 
1 1 1    2   45   26 o   7.3547   2.3202 -53.5139   73.620   53.886  102.804 -166.5715  105.477   8.9061   3.6734   5.8034   2.8354 3.102738 4.640455 
1 1 1    2   46    0 o   28.121   4.5284  1033.92   61.569  1041.17   61.925  409.342  574.911   32.743   0.9743   23.500   9.0043 9.242746 9.056855 
1 1 1    2   46    1 o  101.926   2.3484 10709.79  249.425 10819.75  260.546  9503.61  862.929  105.529   1.2719   98.323   4.5212 7.205887 4.696719 
1 1 1    2   46    2 o  161.414   1.4414 25399.66  435.675 25526.41  548.920 25183.89  716.198  162.016   1.7454  160.812   2.2943 1.203598 2.882718 
1 1 1    2   46    3 f   71.434   0.8618  5001.77  112.108  5088.56  137.269  4827.92  194.274   72.385   0.9769   70.482   1.4199 1.902206 1.723541 
1 1 1    2   46    4 o   41.505   0.8322  1717.52   60.966  1784.58   73.223  1565.94  110.076   42.869   0.8799   40.141   1.4127 2.727913 1.664304 
1 1 1    2   46    5 o   43.499   0.8148  1826.75   63.730  1808.13   76.626  1868.53  114.782   43.149   0.9148   43.849   1.3485 -0.7001114 1.629511 
1 1 1    2   46    6 o   40.411   0.8193  1568.65   61.294  1528.82   75.553  1645.31  104.832   39.675   0.9810   41.147   1.3125 -1.472721 1.638577 
1 1 1    2   46    7 o   11.100   2.3835  115.519   58.776   60.773   81.929  173.571   84.367   9.1307   3.4217   13.070   3.3191 -3.939169 4.766992 
1 1 1    2   46    8 o   37.014   0.9932  1333.16   71.283  1380.20   99.797  1284.16  101.853   37.682   1.3643   36.345   1.4437 1.337902 1.986335 
1 1 1    2   46    9 o   54.296   0.9140  2865.49   96.334  2893.46  136.211  2837.50  136.261   54.561   1.2861   54.030   1.2992 0.5309830 1.828075 
1 1 1    2   46   10 o   26.217   1.1480  654.574   56.809  612.096   71.390  727.913   93.805   25.087   1.4659   27.346   1.7671 -2.258221 2.296035 
1 1 1    2   46   11 o   58.017   0.8321  3237.06   90.069  3151.21  112.072  3393.63  151.358   56.952   1.0137   59.082   1.3197 -2.130119 1.664122 
1 1 1    2   46   12 o   60.448   0.8677  3569.29   97.902  3615.06  123.062  3490.38  161.588   60.992   1.0394   59.903   1.3896 1.089622 1.735333 
1 1 1    2   46   13 f   51.086   0.8575  2537.07   82.633  2536.69  105.113  2537.70  133.698   51.091   1.0599   51.081   1.3483 0.9784698E-02 1.715037 
1 1 1    2   46   14 o   9.9069   2.2656   40.308   59.136 -53.5632   75.224  192.183   95.683   6.1048   2.7995   13.709   3.5628 -7.604225 4.531134 
1 1 1    2   46   15 o   90.470   1.0414  7955.35  173.718  7924.05  214.253  8015.41  296.793   90.256   1.2229   90.684   1.6860 -0.4284363 2.082801 
1 1 1    2   46   16 o   21.473   1.5988  474.612   63.020  548.589   81.454  364.296   99.468   23.703   1.7703   19.243   2.6628 4.459993 3.197589 
1 1 1    2   46   17 o   45.616   0.9140  1991.97   78.486  1890.51   98.441  2168.99  130.030   44.068   1.1508   47.165   1.4202 -3.097122 1.827944 
1 1 1    2   46   18 o   31.535   1.1121  963.826   65.616  942.297   82.047  1002.03  109.296   31.078   1.3600   31.992   1.7599 -0.9142208 2.224198 
1 1 1    2   46   19 o   57.337   0.8886  3252.29   94.963  3379.00  120.038  3040.32  155.251   58.896   1.0500   55.778   1.4339 3.117550 1.777180 
1 1 1    2   46   20 o   7.5918   2.2760   3.6959   59.773   38.074   78.384 -44.0741   92.399   8.1826   3.2683   7.0010   3.1685 1.181604 4.552019 
1 1 1    2   46   21 o   20.464   1.5597  420.917   59.373  278.859   81.413  582.299   86.774   16.661   2.5173   24.267   1.8421 -7.606358 3.119308 
1 1 1    2   46   22 o   19.428   1.7621  383.396   65.901  424.367   91.382  338.999   95.125   20.575   2.2880   18.281   2.6806 2.293539 3.524277 
1 1 1    2   46   23 o   14.561   2.4188  232.307   67.214  242.376   93.577  221.575   96.604   14.934   3.3145   14.187   3.5237 0.7469501 4.837580 
1 1 1    2   46   24 o   21.715   1.7255  474.382   71.971  392.283   95.661  581.465  109.252   19.548   2.5209   23.882   2.3566 -4.333609 3.450926 
1 1 1    2   46   25 o   23.160   1.7272  571.769   74.783  668.321   99.975  449.117  112.681   25.682   2.0054   20.637   2.8127 5.045004 3.454414 
1 1 1    2   47    0 o   49.362   3.1517  2290.01   82.494  2285.88   83.263  2510.29  608.244   48.517   0.8841   50.206   6.2410 -1.689106 6.303311 
1 1 1    2   47    1 o  142.203   2.1030 20250.75  420.942 20489.84  459.661 19008.26  1047.87  145.165   1.6312  139.241   3.8768 5.924118 4.206017 
1 1 1    2   47    2 o   37.559   0.8781  1369.17   58.173  1367.15   69.078  1374.11  107.877   37.519   0.9485   37.598   1.4781 -0.7901382E-01 1.756195 
1 1 1    2   47    3 o   39.267   0.8271  1465.68   58.771  1411.98   70.624  1586.60  105.987   38.129   0.9542   40.406   1.3513 -2.276165 1.654208 
1 1 1    2   47    4 o   15.281   1.7368  206.025   47.664  141.341   57.862  342.578   84.071   11.811   2.5946   18.752   2.3096 -6.940758 3.473687 
1 1 1    2   47    5 o   7.1971   1.9613   15.932   45.729   71.294   55.367 -102.8822   81.110   8.7154   2.8457   5.6787   2.6998 3.036715 3.922625 
1 1 1    2   47    6 o   84.393   0.9489  6911.65  146.816  6890.24  180.007  6954.19  253.745   84.217   1.1011   84.569   1.5457 -0.3518753 1.897782 
1 1 1    2   47    7 o   8.7536   2.4319   37.705   61.444   7.1586   84.325   72.281   89.715   7.7942   3.2790   9.7129   3.5922 -1.918746 4.863703 
1 1 1    2   47    8 o   77.156   1.0366  5788.38  155.216  5752.97  216.973  5825.49  222.135   76.916   1.4532   77.397   1.4785 -0.4806824 2.073113 
1 1 1    2   47    9 o   27.823   1.2374  753.631   66.819  768.976   94.364  738.199   94.630   28.108   1.7295   27.538   1.7702 0.5700703 2.474810 
1 1 1    2   47   10 o   38.870   0.8796  1437.26   63.844  1360.25   79.105  1581.15  108.130   37.415   1.0892   40.325   1.3814 -2.909752 1.759107 
1 1 1    2   47   11 o   22.340   1.3867  474.219   59.233  418.486   76.144  559.634   94.264   20.723   1.8929   23.957   2.0270 -3.234182 2.773365 
1 1 1    2   47   12 o   69.503   0.8891  4656.21  114.633  4561.93  141.807  4834.01  194.730   68.514   1.0662   70.493   1.4231 -1.978531 1.778190 
1 1 1    2   47   13 o   66.129   0.8901  4235.02  109.398  4191.93  135.964  4314.15  184.234   65.672   1.0665   66.585   1.4254 -0.9133606 1.780213 
1 1 1    2   47   14 o   39.972   0.9491  1575.38   71.749  1657.00   93.040  1455.63  112.702   41.279   1.1611   38.665   1.5016 2.614323 1.898157 
1 1 1    2   47   15 o   44.820   0.9101  1942.69   77.101  1900.51   97.910  2011.55  125.091   44.198   1.1412   45.442   1.4181 -1.243851 1.820229 
1 1 1    2   47   16 o   14.227   2.3889  213.438   63.841  230.590   80.770  184.881  104.216   15.041   2.8711   13.414   3.8189 1.626833 4.777809 
1 1 1    2   47   17 f   29.519   1.2016  868.738   65.596  911.671   82.396  794.435  108.397   30.571   1.3885   28.467   1.9616 2.104164 2.403264 
1 1 1    2   47   18 o   43.594   0.9360  1868.84   76.563  1912.19   97.230  1798.09  124.210   44.297   1.1307   42.892   1.4918 1.405529 1.871925 
1 1 1    2   47   19 o   12.891   2.3276  166.575   57.963  131.128   74.374  221.411   92.506   11.258   3.2330   14.525   3.3494 -3.266912 4.655158 
1 1 1    2   47   20 o   15.574   2.0197  255.385   58.021  282.508   75.935  217.333   89.941   16.834   2.3238   14.313   3.3041 2.520604 4.039384 
1 1 1    2   47   21 o   20.746   1.5694  431.088   62.940  437.729   85.641  423.288   92.813   20.950   2.1058   20.541   2.3277 0.4093590 3.138878 
1 1 1    2   47   22 o   10.610   2.4789   99.589   64.935   23.721   88.136  189.665   96.035   8.0577   3.3687   13.163   3.6374 -5.105504 4.957740 
1 1 1    2   47   23 o   11.009   2.6327  120.284   68.752   71.785   92.466  180.247  102.814   9.3156   3.6002   12.701   3.8423 -3.385829 5.265395 
1 1 1    2   47   24 o   7.9007   2.4417  -2.1879   72.200   31.927   98.033 -42.6275  106.734   8.4244   3.5394   7.3769   3.3646 1.047523 4.883425 
1 1 1    2   47   25 o   10.404   2.4706   68.019   74.406 -81.5144  101.693  240.297  109.154   6.5659   3.0918   14.242   3.8543 -7.676013 4.941175 
1 1 1    2   48    0 o   19.665   4.5381  278.272   58.161  277.910   58.458  313.584  577.677   16.902   1.7817   22.429   8.8995 -5.526728 9.076121 
1 1 1    2   48    1 o   30.832   4.5163  823.393   62.452  819.878   62.811  1128.32  585.018   29.051   1.1138   32.613   8.9637 -3.561541 9.032604 
1 1 1    2   48    2 o   53.707   0.7531  2754.34   74.829  2651.12   91.924  2957.06  128.831   52.248   0.9064   55.167   1.2030 -2.919659 1.506237 
1 1 1    2   48    3 o   18.053   1.5236  319.528   48.611  322.562   57.971  312.342   89.219   18.212   1.6398   17.895   2.5685 0.3170891 3.047297 
1 1 1    2   48    4 o   17.642   1.5794  301.184   49.369  298.231   58.700  308.323   91.260   17.509   1.7271   17.775   2.6449 -0.2663136 3.158822 
1 1 1    2   48    5 o   38.474   0.8518  1423.46   59.009  1399.16   70.914  1478.15  106.401   37.954   0.9625   38.994   1.4057 -1.040192 1.703634 
1 1 1    2   48    6 o   51.590   0.7992  2515.44   74.693  2398.32   89.665  2780.98  135.012   49.690   0.9296   53.489   1.3003 -3.798397 1.598404 
1 1 1    2   48    7 o   70.559   0.9902  4840.27  135.594  4811.58  189.338  4870.48  194.275   70.346   1.3865   70.772   1.4141 -0.4267349 1.980469 
1 1 1    2   48    8 o   11.335   2.5213  116.568   67.093   39.308   96.406  189.134   93.432   9.0420   3.6199   13.627   3.5104 -4.585195 5.042519 
1 1 1    2   48    9 o   50.281   0.9276  2454.70   90.476  2360.32  125.248  2557.70  130.840   49.272   1.3095   51.290   1.3141 -2.018456 1.855208 
1 1 1    2   48   10 f   9.8158   2.4343   71.864   55.343   45.627   67.508  125.635   96.644   8.1334   3.0929   11.498   3.7600 -3.364661 4.868642 
1 1 1    2   48   11 o   31.806   1.0759  999.416   63.942  1044.41   81.229  926.112  103.679   32.773   1.2768   30.838   1.7320 1.935551 2.151738 
1 1 1    2   48   12 o   66.541   0.8823  4289.74  109.284  4249.80  136.111  4362.19  183.327   66.125   1.0604   66.957   1.4105 -0.8327637 1.764609 
1 1 1    2   48   13 o   9.6314   2.5209   68.598   61.725   52.119   79.823   93.105   97.346   8.7684   3.3563   10.494   3.7623 -1.725939 5.041751 
1 1 1    2   48   14 o   10.870   2.4590  104.309   59.205   64.991   76.147  164.409   94.144   9.0279   3.3144   12.712   3.6334 -3.683956 4.917988 
1 1 1    2   48   15 o   61.024   0.8951  3628.23  101.720  3632.55  127.090  3620.53  169.677   61.103   1.0715   60.944   1.4343 0.1593246 1.790293 
1 1 1    2   48   16 o   37.844   1.0045  1413.13   71.120  1461.30   90.221  1334.07  115.586   38.733   1.1999   36.956   1.6112 1.777054 2.008955 
1 1 1    2   48   17 o   36.997   1.0195  1356.55   69.842  1406.85   87.527  1268.41  115.877   37.992   1.1868   36.002   1.6581 1.989792 2.039073 
1 1 1    2   48   18 f   35.443   1.0147  1229.62   67.048  1233.63   83.953  1222.56  111.409   35.559   1.2162   35.328   1.6246 0.2313995 2.029416 
1 1 1    2   48   19 o   26.853   1.1717  706.725   59.997  698.187   77.676  719.352   94.462   26.683   1.4996   27.023   1.8008 -0.3403358 2.343427 
1 1 1    2   48   20 o   10.780   2.5177  111.110   60.969   80.496   78.622  157.290   96.562   9.3943   3.3798   12.166   3.7325 -2.771806 5.035344 
1 1 1    2   48   21 o   31.996   1.1027  1003.49   66.897  983.851   85.506  1034.49  107.408   31.644   1.3920   32.348   1.7105 -0.7041359 2.205313 
1 1 1    2   48   22 o   22.106   1.5680  493.126   67.146  506.400   92.886  478.597   97.176   22.449   2.1315   21.763   2.3002 0.6859398 3.135997 
1 1 1    2   48   23 o   15.977   2.3309  293.754   70.310  375.624   93.334  186.338  106.909   19.131   2.5133   12.824   3.9263 6.306376 4.661796 
1 1 1    2   48   24 o   7.6363   2.3879 -20.6501   72.895   39.373   99.152 -91.2534  107.536   8.5634   3.5760   6.7091   3.1654 1.854259 4.775732 
1 1 1    2   49    0 o   29.293   4.7635  755.783   62.344  753.354   62.663  992.993  619.304   27.845   1.1593   30.740   9.4562 -2.895226 9.527039 
1 1 1    2   49    1 o   27.189   4.7513  584.050   60.838  580.537   61.143  933.883  610.085   24.440   1.2888   29.937   9.4149 -5.496475 9.502696 
1 1 1    2   49    2 o   19.349   3.9784  452.031   61.542  461.308   61.863 -433.0943  604.261   21.782   1.4631   16.917   7.8212 4.865406 7.956866 
1 1 1    2   49    3 o   48.421   0.7926  2287.12   69.193  2302.73   83.734  2253.51  122.863   48.692   0.8859   48.150   1.3145 0.5423012 1.585148 
1 1 1    2   49    4 f   21.941   1.3116  462.244   51.562  452.333   61.658  485.296   94.032   21.567   1.4727   22.314   2.1709 -0.7468243 2.623291 
1 1 1    2   49    5 o   78.681   0.9113  6051.05  131.808  6122.68  162.670  5914.12  224.913   79.383   1.0556   77.980   1.4858 1.403412 1.822646 
1 1 1    2   49    6 o   5.9086   1.9440 -57.7513   49.738 -49.6371   59.562 -76.4456   90.407   5.3064   2.4541   6.5109   3.0155 -1.204505 3.887918 
1 1 1    2   49    7 o   9.8726   2.3421   88.549   50.513   88.524   61.110   88.602   89.753   9.5471   2.9760   10.198   3.6172 -0.6510296 4.684107 
1 1 1    2   49    8 o   54.032   0.9347  2831.66   97.908  2669.25  134.651  3013.85  142.617   52.393   1.3240   55.672   1.3197 -3.279652 1.869342 
1 1 1    2   49    9 o   36.009   1.0990  1269.06   76.305  1111.23  108.735  1422.19  107.107   33.784   1.6580   38.234   1.4431 -4.450176 2.198098 
1 1 1    2   49   10 o   49.153   0.8680  2408.81   78.116  2545.47   97.248  2160.28  131.150   51.184   0.9788   47.123   1.4337 4.060692 1.735975 
1 1 1    2   49   11 o   33.097   1.0470  1054.59   65.627  1016.00   83.363  1117.47  106.426   32.319   1.3288   33.876   1.6184 -1.557449 2.094034 
1 1 1    2   49   12 o   42.153   0.9074  1721.89   71.741  1702.93   90.237  1754.46  118.273   41.851   1.1107   42.456   1.4351 -0.6042824 1.814740 
1 1 1    2   49   13 o   27.802   1.3159  805.947   65.438  924.749   82.273  601.359  107.965   30.818   1.3753   24.786   2.2439 6.031626 2.631845 
1 1 1    2   49   14 o   16.508   2.1837  302.898   63.448  365.113   79.471  193.527  105.368   19.306   2.1206   13.710   3.8180 5.596262 4.367373 
1 1 1    2   49   15 o   7.6306   2.3258  -3.1434   61.256   7.9410   77.179 -22.0121  100.697   7.4351   3.1329   7.8261   3.4383 -0.3910589 4.651623 
1 1 1    2   49   16 o   34.250   1.0610  1131.03   68.562  1085.38   86.484  1208.24  112.488   33.355   1.3357   35.146   1.6488 -1.790268 2.121938 
1 1 1    2   49   17 o   29.697   1.1624  871.352   64.477  893.350   81.430  834.379  105.568   30.242   1.3871   29.152   1.8655 1.090048 2.324716 
1 1 1    2   49   18 o   22.752   1.4846  541.219   61.736  661.798   81.615  379.948   94.387   25.971   1.6189   19.534   2.4891 6.436289 2.969297 
1 1 1    2   49   19 o   18.157   1.6567  331.947   57.507  347.481   76.217  311.412   87.628   18.705   2.0991   17.609   2.5635 1.095587 3.313307 
1 1 1    2   49   20 o   28.477   1.1996  814.621   64.311  864.789   83.106  739.731  101.539   29.657   1.4436   27.296   1.9163 2.361233 2.399184 
1 1 1    2   49   21 o   10.728   2.5670  117.930   65.607  151.449   86.538   72.627  100.607   11.838   3.5125   9.6169   3.7445 2.221501 5.134089 
1 1 1    2   49   22 o   19.136   1.8200  367.881   66.512  287.912   88.067  474.056  101.476   16.706   2.7157   21.567   2.4239 -4.860758 3.640060 
1 1 1    2   49   23 f   9.8800   2.6406   91.702   69.065   91.952   92.660   91.390  103.600   9.7886   3.6446   9.9713   3.8219 -0.1827688 5.281122 
1 1 1    2   49   24 o   12.865   2.7776  195.352   75.865  174.856  104.500  218.192  110.316   12.208   3.9030   13.523   3.9532 -1.314793 5.555265 
1 1 1    2   50    0 f   61.663   3.8194  4691.80  132.206  4743.42  134.117  2919.48  785.888   69.877   0.9887   53.449   7.5746 16.42818 7.638867 
1 1 1    2   50    1 o   21.172   4.9068  330.062   60.289  329.944   60.517  345.540  694.148   18.413   1.6931   23.930   9.6663 -5.517393 9.813510 
1 1 1    2   50    2 o   45.387   4.3890  1756.37   77.076  1749.32   77.447  2487.71  788.769   42.436   0.9402   48.337   8.7274 -5.900799 8.777935 
1 1 1    2   50    3 o   63.212   0.8363  3889.30   96.152  3900.46  117.147  3866.27  168.317   63.366   0.9524   63.059   1.3751 0.3073311 1.672663 
1 1 1    2   50    4 o   33.176   0.9302  1056.22   57.119  1025.83   70.342  1115.06   97.869   32.492   1.1153   33.860   1.4890 -1.368351 1.860354 
1 1 1    2   50    5 o   12.262   2.1104  168.077   50.919  209.535   61.319   75.991   91.387   14.661   2.1546   9.8627   3.6294 4.798371 4.220789 
1 1 1    2   50    6 o   99.504   1.0789  9650.44  196.976  9686.93  242.129  9579.01  338.713   99.822   1.2496   99.186   1.7592 0.6361389 2.157827 
1 1 1    2   50    7 o   77.388   0.9186  5807.37  129.579  5776.31  157.883  5871.46  226.806   77.097   1.0550   77.679   1.5041 -0.5821838 1.837213 
1 1 1    2   50    8 o   43.587   0.9692  1849.97   81.893  1793.99  117.741  1902.42  113.979   42.945   1.4124   44.229   1.3275 -1.284420 1.938353 
1 1 1    2   50    9 o   42.935   1.0034  1793.56   83.622  1813.23  117.853  1773.62  118.669   43.173   1.4063   42.697   1.4318 0.4759369 2.006875 
1 1 1    2   50   10 f   48.761   0.8772  2281.79   78.872  2217.82   96.736  2408.65  136.220   47.769   1.0432   49.753   1.4104 -1.984379 1.754321 
1 1 1    2   50   11 o   40.912   0.9367  1643.99   71.879  1691.44   91.355  1566.89  116.463   41.708   1.1283   40.116   1.4956 1.591972 1.873457 
1 1 1    2   50   12 o   12.818   2.4130  164.615   60.285  146.885   77.873  191.132   95.235   11.998   3.2591   13.638   3.5594 -1.640651 4.826088 
1 1 1    2   50   13 o   45.967   0.9096  2070.52   77.472  2101.68   96.555  2014.20  129.803   46.479   1.0702   45.454   1.4711 1.024834 1.819176 
1 1 1    2   50   14 o   47.936   0.9307  2283.58   82.738  2403.46  104.350  2080.61  135.778   49.695   1.0817   46.177   1.5148 3.518101 1.861344 
1 1 1    2   50   15 o   12.686   2.5330  155.751   62.763  128.772   77.203  208.331  107.779   11.245   3.3128   14.127   3.8328 -2.882424 5.066014 
1 1 1    2   50   16 o   34.573   1.0573  1188.10   68.198  1246.27   86.579  1093.01  110.698   35.744   1.2478   33.402   1.7073 2.342312 2.114661 
1 1 1    2   50   17 o   31.634   1.0592  966.677   64.274  900.609   83.613  1062.11  100.492   30.344   1.4195   32.924   1.5724 -2.579807 2.118336 
1 1 1    2   50   18 o   29.580   1.0876  854.258   61.494  831.815   79.796  887.078   96.494   29.131   1.4111   30.028   1.6554 -0.8968544 2.175235 
1 1 1    2   50   19 o   8.6475   2.3960   52.937   58.114   61.277   75.219   40.586   91.535   8.6786   3.2732   8.6165   3.4998 0.6212330E-01 4.791915 
1 1 1    2   50   20 o   9.1452   2.4514   29.709   65.302 -46.6641   84.062  145.937  103.702   6.5075   2.9750   11.783   3.8969 -5.275472 4.902729 
1 1 1    2   50   21 o   13.064   2.4418  195.748   64.140  233.841   81.822  135.032  103.301   14.796   2.9522   11.331   3.8902 3.464856 4.883553 
1 1 1    2   50   22 o   20.638   1.7589  434.132   69.928  414.397   92.539  460.402  106.766   20.148   2.3661   21.128   2.6032 -0.9798222 3.517815 
1 1 1    2   50   23 o   11.669   2.5310  138.403   70.582   39.281   96.259  253.670  103.802   8.4712   3.5293   14.866   3.6288 -6.394968 5.061991 
1 1 1    2   51    0 o   46.712   4.9312  2181.40   85.103  2180.09   85.532  2310.76  850.872   47.375   0.9301   46.049   9.8185 1.325268 9.862453 
1 1 1    2   51    1 o   37.966   4.9467  1175.31   70.262  1169.63   70.551  1862.56  776.473   34.696   1.0475   41.235   9.8378 -6.539009 9.893451 
1 1 1    2   51    2 o   38.437   5.0614  1592.62   72.339  1593.97   72.690  1454.78  736.300   40.508   0.9244   36.365   10.080 4.143200 10.12278 
1 1 1    2   51    3 o   22.987   1.3068  518.804   53.233  525.031   63.650  504.313   97.105   23.235   1.4112   22.740   2.1998 0.4953613 2.613590 
1 1 1    2   51    4 o   32.213   0.9987  979.298   58.128  930.969   69.584  1090.91  105.745   30.948   1.1583   33.478   1.6272 -2.529634 1.997324 
1 1 1    2   51    5 o   31.541   0.9928  959.838   55.971  947.734   66.939  987.968  102.047   31.227   1.1043   31.856   1.6502 -0.6289654 1.985638 
1 1 1    2   51    6 o   42.814   0.8700  1751.20   67.989  1694.29   82.432  1872.30  120.242   41.757   1.0170   43.872   1.4119 -2.115219 1.740019 
1 1 1    2   51    7 o   22.290   1.3885  504.526   56.197  550.592   70.183  422.218   93.814   23.787   1.5200   20.794   2.3242 2.992912 2.777069 
1 1 1    2   51    8 o   40.201   1.0349  1571.57   80.732  1523.28  112.517  1622.82  115.904   39.565   1.4650   40.837   1.4621 -1.272495 2.069786 
1 1 1    2   51    9 o   63.321   0.9995  3899.59  122.815  4050.52  175.820  3755.76  171.629   64.518   1.4038   62.124   1.4232 2.394032 1.999061 
1 1 1    2   51   10 o   80.885   1.1148  6372.85  175.040  6385.53  246.889  6360.03  248.204   80.967   1.5708   80.803   1.5824 0.1639633 2.229684 
1 1 1    2   51   11 o   27.837   1.2201  762.206   63.379  779.455   79.856  732.847  104.181   28.287   1.4543   27.388   1.9596 0.8993225 2.440288 
1 1 1    2   51   12 f   37.287   1.0228  1364.08   70.472  1384.87   87.562  1325.87  118.736   37.718   1.1959   36.856   1.6596 0.8619232 2.045601 
1 1 1    2   51   13 o   39.382   0.9762  1471.95   72.000  1369.87   89.331  1661.21  121.636   37.503   1.2271   41.261   1.5186 -3.758083 1.952415 
1 1 1    2   51   14 o   19.548   1.7511  366.636   62.844  346.460   76.335  409.069  110.705   18.782   2.0937   20.314   2.8074 -1.531712 3.502188 
1 1 1    2   51   15 o   58.589   0.8906  3313.60   96.021  3241.62  117.686  3456.95  166.074   57.691   1.0509   59.487   1.4382 -1.795452 1.781211 
1 1 1    2   51   16 o   52.284   0.8817  2691.11   85.785  2751.80  107.717  2585.88  141.843   53.141   1.0442   51.427   1.4209 1.713776 1.763311 
1 1 1    2   51   17 o   38.716   0.9231  1474.20   67.954  1506.81   88.230  1426.64  106.545   39.278   1.1572   38.154   1.4386 1.124237 1.846219 
1 1 1    2   51   18 o   30.343   1.1014  906.782   63.651  909.942   82.525  902.140  100.004   30.449   1.3962   30.237   1.7038 0.2123947 2.202769 
1 1 1    2   51   19 o   16.661   2.0429  273.068   63.142  207.554   80.189  379.972  102.434   13.982   3.0411   19.339   2.7286 -5.357584 4.085741 
1 1 1    2   51   20 o   18.017   1.9610  349.130   62.828  381.980   79.501  294.487  102.535   19.520   2.0982   16.515   3.3136 3.004629 3.922016 
1 1 1    2   51   21 o   15.496   2.3237  267.874   67.911  305.755   88.769  214.417  105.452   17.226   2.6547   13.766   3.8145 3.459230 4.647326 
1 1 1    2   51   22 o   13.273   2.5740  207.434   68.982  236.707   87.025  157.944  113.152   14.669   3.1501   11.878   4.0718 2.791828 5.148066 
1 1 1    2   51   23 o   22.271   1.8345  519.889   78.103  516.162  102.053  525.158  121.343   22.323   2.3551   22.220   2.8133 0.1031227 3.668947 
1 1 1    2   52    0 o   43.005   5.0036  1590.76   74.815  1585.23   75.102  2311.59  857.367   40.393   0.9578   45.618   9.9612 -5.224941 10.00714 
1 1 1    2   52    1 o   35.989   5.1644  1480.03   74.251  1483.02   74.639  1194.22  728.946   39.068   0.9842   32.910   10.282 6.157711 10.32872 
1 1 1    2   52    2 o   20.066   4.1984  481.450   62.770  489.768   63.020 -559.2151  704.901   22.437   1.4469   17.695   8.2711 4.741449 8.396716 
1 1 1    2   52    3 o   64.349   0.8210  3961.82   97.009  3836.68  118.346  4218.09  169.362   62.839   0.9702   65.859   1.3248 -3.019379 1.642033 
1 1 1    2   52    4 f  101.904   1.0994 10068.58  205.460  9992.40  251.717 10220.65  355.637  101.373   1.2792  102.435   1.7885 -1.062325 2.198871 
1 1 1    2   52    5 o   69.840   0.8780  4755.78  112.094  4782.46  137.330  4702.51  194.031   70.155   1.0084   69.525   1.4377 0.6301498 1.756098 
1 1 1    2   52    6 o   28.436   1.1290  798.743   58.507  822.174   71.932  752.937  100.573   29.077   1.2744   27.795   1.8640 1.281895 2.258052 
1 1 1    2   52    7 o   74.979   0.9141  5441.31  125.238  5389.56  152.803  5547.21  218.594   74.465   1.0571   75.493   1.4916 -1.028427 1.828234 
1 1 1    2   52    8 o   9.9063   2.3722   81.274   49.685   67.981   58.202  116.983   95.396   8.6292   2.9204   11.183   3.7391 -2.554090 4.744458 
1 1 1    2   52    9 o   96.292   1.2519  9027.01  233.691  8759.27  320.686  9330.20  341.251   94.779   1.7430   97.805   1.7974 -3.025833 2.503755 
1 1 1    2   52   10 o   40.718   1.0721  1621.13   84.432  1702.39  116.569  1531.45  122.458   41.803   1.4365   39.632   1.5917 2.170856 2.144110 
1 1 1    2   52   11 o   10.479   2.3099  108.349   59.116  167.824   73.134  -3.7667  100.413   12.781   2.9993   8.1775   3.5138 4.603543 4.619798 
1 1 1    2   52   12 o   38.433   0.9995  1447.96   70.949  1465.78   88.044  1414.96  119.817   38.800   1.1690   38.066   1.6215 0.7339516 1.998941 
1 1 1    2   52   13 o   29.549   1.1873  834.529   66.037  779.646   82.613  931.662  109.904   28.256   1.5062   30.843   1.8357 -2.586691 2.374503 
1 1 1    2   52   14 o   23.248   1.4093  518.692   62.245  475.090   78.966  590.237  101.153   22.008   1.8484   24.488   2.1279 -2.480562 2.818643 
1 1 1    2   52   15 o   16.404   2.0427  275.463   61.789  283.763   79.533  262.828   98.136   16.923   2.4210   15.884   3.2909 1.039274 4.085489 
1 1 1    2   52   16 o   30.119   1.1131  887.986   64.126  877.366   83.608  903.160   99.936   29.928   1.4392   30.310   1.6985 -0.3822346 2.226239 
1 1 1    2   52   17 o   26.902   1.2512  712.445   64.208  704.148   83.216  724.652  100.935   26.749   1.6026   27.054   1.9219 -0.3052521 2.502456 
1 1 1    2   52   18 o   46.721   0.9088  2137.30   79.176  2129.02   99.007  2152.00  131.875   46.662   1.0930   46.781   1.4522 -0.1190262 1.817600 
1 1 1    2   52   19 o   6.4688   2.1073 -53.0181   59.657 -55.6443   76.498 -48.9419   95.304   5.9911   2.7744   6.9466   3.1726 -0.9555321 4.214615 
1 1 1    2   52   20 f   7.5747   2.3265  -7.4238   63.422 -38.0058   82.983   35.529   98.345   6.5532   2.9803   8.5963   3.5731 -2.043011 4.652936 
1 1 1    2   52   21 o   8.0738   2.4289   21.617   65.228   25.068   82.837   15.985  105.821   7.7875   3.2617   8.3601   3.5999 -0.5725732 4.857772 
1 1 1    2   52   22 o   16.442   2.3584  311.152   72.302  359.707   94.592  242.922  112.132   18.538   2.6287   14.347   3.9165 4.190267 4.716859 
1 1 1    2   53    0 o   67.171   4.1160  5017.51  142.186  5037.84  143.681  4055.74  988.373   72.002   1.0280   62.339   8.1676 9.662857 8.232017 
1 1 1    2   53    1 o   26.330   4.5877  1043.37   71.256  1055.09   71.528 -485.1420  816.861   32.947   1.1184   19.713   9.1069 13.23396 9.175362 
1 1 1    2   53    2 o   22.985   4.9901  495.379   66.574  497.572   66.826  205.982  767.540   22.612   1.5225   23.359   9.8634 -0.7475815 9.980202 
1 1 1    2   53    3 f   24.826   5.3819  388.650   66.815  384.721   67.065  913.458  775.084   19.874   1.7384   29.779   10.623 -9.905256 10.76382 
1 1 1    2   53    4 o   22.182   1.4480  485.500   57.222  494.174   68.805  466.043  103.048   22.530   1.5732   21.834   2.4313 0.6963902 2.895914 
1 1 1    2   53    5 o   8.8643   2.3038   57.700   56.167  100.675   67.511 -38.9273  101.232   10.129   3.1232   7.6000   3.3875 2.528565 4.607590 
1 1 1    2   53    6 o   65.635   0.8657  4204.02  104.383  4234.68  128.587  4144.77  178.746   66.009   1.0035   65.261   1.4110 0.7472382 1.731440 
1 1 1    2   53    7 o   43.227   0.8905  1842.26   69.555  1887.04   84.728  1749.71  121.804   44.062   0.9906   42.391   1.4802 1.670803 1.781089 
1 1 1    2   53    8 o   63.378   0.8830  3937.10  102.364  3995.50  125.796  3822.66  176.113   64.107   1.0109   62.650   1.4481 1.457153 1.766063 
1 1 1    2   53    9 o   20.197   1.8125  402.289   70.648  416.022   95.913  386.001  104.456   20.591   2.3996   19.804   2.7172 0.7871227 3.625098 
1 1 1    2   53   10 o   49.173   1.0294  2359.19   98.032  2561.54  139.475  2161.63  137.816   51.266   1.4015   47.079   1.5080 4.186913 2.058732 
1 1 1    2   53   11 o   9.6489   2.4978   77.265   59.704   86.923   73.650   58.753  101.964   9.6750   3.2852   9.6229   3.7634 0.5209732E-01 4.995510 
1 1 1    2   53   12 o   13.651   2.3286  177.420   58.807  139.061   71.805  255.561  102.485   11.618   3.1186   15.685   3.4589 -4.067675 4.657208 
1 1 1    2   53   13 o   57.037   0.9062  3212.34   94.679  3295.24  116.887  3054.17  161.451   58.171   1.0351   55.904   1.4878 2.266903 1.812441 
1 1 1    2   53   14 o   22.957   1.3523  500.802   58.987  438.569   74.646  604.279   96.254   21.135   1.8195   24.779   2.0011 -3.643858 2.704605 
1 1 1    2   53   15 o   28.849   1.1238  822.918   62.173  864.458   83.079  770.039   93.734   29.711   1.4405   27.988   1.7253 1.723379 2.247586 
1 1 1    2   53   16 o   35.360   1.0081  1222.73   66.846  1212.15   84.128  1240.85  110.095   35.200   1.2312   35.520   1.5967 -0.3192368 2.016295 
1 1 1    2   53   17 o   10.290   2.4861   89.748   59.441   49.646   74.145  161.884   99.443   8.2871   3.2179   12.293   3.7906 -4.005482 4.972274 
1 1 1    2   53   18 o   13.708   2.4034  192.872   62.944  148.834   79.940  264.718  102.106   11.775   3.3420   15.642   3.4549 -3.867042 4.806834 
1 1 1    2   53   19 o   17.893   1.8505  321.303   63.620  282.594   83.112  376.083   98.872   16.632   2.5743   19.155   2.6591 -2.522902 3.701028 
1 1 1    2   53   20 o   31.781   1.1995  1033.47   70.998  1126.16   91.271  891.437  112.983   33.767   1.3924   29.795   1.9535 3.972658 2.398938 
1 1 1    2   53   21 o   9.7052   2.6129   88.701   67.515  102.836   83.803   62.559  113.968   9.9446   3.4987   9.4659   3.8817 0.4786921 5.225756 
1 1 1    2   53   22 o   16.185   2.4285  305.664   72.422  333.013   90.720  257.610  120.250   17.787   2.6274   14.582   4.0850 3.204782 4.857026 
1 1 1    2   54    0 o   56.910   4.5739  3155.55  105.927  3152.03  106.522  3468.28  1004.20   56.954   0.9635   56.867   9.0970 0.8676529E-01 9.147847 
1 1 1    2   54    1 o   30.494   5.8503  587.610   69.827  582.100   70.027  1549.82  925.346   24.456   1.4751   36.532   11.607 -12.07649 11.70068 
1 1 1    2   54    2 o   15.106   3.8575  214.834   65.805  227.541   66.039 -1570.1021  782.697   15.262   2.2290   14.949   7.3859 0.3132715 7.714927 
1 1 1    2   54    3 o   40.467   5.7278  1389.89   76.870  1384.79   77.112  2196.69  970.578   37.745   1.0525   43.189   11.407 -5.443882 11.45570 
1 1 1    2   54    4 o  110.237   1.1887 11872.54  239.843 11937.23  294.253 11744.49  414.000  110.758   1.3686  109.716   1.9439 1.041611 2.377332 
1 1 1    2   54    5 o   83.993   0.9780  6871.10  150.178  6879.87  183.816  6853.48  260.438   84.114   1.1258   83.873   1.5996 0.2411804 1.956064 
1 1 1    2   54    6 o   20.271   1.5892  422.003   57.246  458.563   70.146  349.099   99.056   21.687   1.6662   18.854   2.7066 2.833748 3.178335 
1 1 1    2   54    7 o   18.041   1.7858  283.449   57.033  189.426   68.631  493.277  102.527   13.651   2.6856   22.431   2.3546 -8.779849 3.571611 
1 1 1    2   54    8 o   22.163   1.5620  499.922   60.578  527.564   72.723  437.266  109.488   23.253   1.6111   21.073   2.6766 2.180334 3.124073 
1 1 1    2   54    9 o   13.987   2.4932  205.324   68.535  245.945   93.241  157.587  101.079   15.472   3.2096   12.501   3.8160 2.971756 4.986361 
1 1 1    2   54   10 o   20.340   2.0429  443.935   72.668  583.284   98.162  274.978  108.089   24.387   2.0736   16.292   3.5205 8.094856 4.085751 
1 1 1    2   54   11 o   28.253   1.2267  740.922   64.862  640.199   79.834  936.537  111.255   25.591   1.6071   30.916   1.8539 -5.324787 2.453459 
1 1 1    2   54   12 o   34.629   1.0443  1159.51   66.967  1131.71   82.619  1212.77  114.346   34.064   1.2495   35.195   1.6737 -1.130905 2.088632 
1 1 1    2   54   13 o   28.858   1.1970  799.475   65.198  748.468   81.958  887.389  107.598   27.657   1.5266   30.059   1.8440 -2.401770 2.393925 
1 1 1    2   54   14 f   8.7713   2.2358   55.017   54.941  114.645   72.111 -27.4903   84.825   10.584   3.2214   6.9586   3.1013 3.625439 4.471663 
1 1 1    2   54   15 o   35.216   0.9829  1218.86   65.626  1231.35   84.467  1199.84  104.239   35.482   1.2263   34.949   1.5365 0.5329857 1.965893 
1 1 1    2   54   16 o   18.352   1.7269  328.457   60.491  262.429   78.546  424.706   94.832   16.137   2.5075   20.568   2.3752 -4.430681 3.453854 
1 1 1    2   54   17 o   12.911   2.2479  187.806   61.556  262.208   79.752   78.166   96.813   16.104   2.5512   9.7177   3.7018 6.386344 4.495759 
1 1 1    2   54   18 o   46.294   0.9391  2096.89   81.893  2062.61  103.585  2154.02  133.734   45.863   1.1635   46.724   1.4745 -0.8611183 1.878237 
1 1 1    2   54   19 o   13.337   2.1871  211.613   63.233  316.193   81.633   54.737   99.982   17.616   2.3873   9.0589   3.6653 8.556668 4.374187 
1 1 1    2   54   20 o   12.980   2.5267  194.456   65.848  215.225   84.411  162.170  105.245   13.966   3.1843   11.995   3.9238 1.971127 5.053314 
1 1 1    2   54   21 o   9.3432   2.5934   69.381   66.221   45.877   82.078  113.210  112.083   8.1762   3.3165   10.510   3.9880 -2.333920 5.186796 
1 1 1    2   55    0 o   34.671   5.8596  1276.27   75.603  1276.41   75.853  1254.55  932.717   36.233   1.0785   33.109   11.670 3.124336 11.71923 
1 1 1    2   55    1 o   52.755   5.5699  2891.31   99.700  2889.84  100.138  3058.71  1067.29   54.529   0.9460   50.981   11.099 3.548462 11.13973 
1 1 1    2   55    2 o   24.015   5.4815  494.058   66.530  494.878   66.696  329.867  943.450   22.540   1.5243   25.490   10.857 -2.949812 10.96305 
1 1 1    2   55    3 o   20.826   5.0275  383.367   66.336  386.694   66.508 -257.0350  922.862   19.913   1.7206   21.738   9.9066 -1.825294 10.05492 
1 1 1    2   55    4 f   29.829   1.2959  871.805   74.537  900.387  100.790  837.307  110.732   30.382   1.7090   29.276   1.9485 1.105452 2.591761 
1 1 1    2   55    5 o   25.933   1.2032  654.196   58.209  648.849   72.730  663.724   97.088   25.805   1.4519   26.061   1.9191 -0.2562084 2.406481 
1 1 1    2   55    6 o   6.0852   1.9759 -70.6856   56.707  -6.0244   68.264 -214.6654  101.864   6.6895   2.8859   5.4809   2.6997 1.208601 3.951795 
1 1 1    2   55    7 o   28.268   1.2339  826.186   60.513  894.461   72.847  674.203  108.688   30.308   1.2382   26.228   2.1347 4.079285 2.467856 
1 1 1    2   55    8 o   19.373   1.6192  366.046   56.507  361.624   68.054  375.862  101.400   19.229   1.8232   19.518   2.6764 -0.2890129 3.238403 
1 1 1    2   55    9 f   17.574   1.8003  294.706   58.255  274.799   70.820  336.363  102.445   16.725   2.1814   18.423   2.8645 -1.698660 3.600548 
1 1 1    2   55   10 o   10.517   2.4959   61.306   69.197 -37.6825   90.063  203.941  108.110   7.0590   3.1672   13.975   3.8583 -6.916296 4.991774 
1 1 1    2   55   11 o   7.2224   2.2168 -48.2647   58.097 -101.7817   72.000   51.600   98.354   5.1674   2.4802   9.2774   3.6750 -4.109964 4.433609 
1 1 1    2   55   12 f   9.8069   2.4794   83.689   58.330   77.045   73.861   94.699   95.083   9.2770   3.2824   10.337   3.7170 -1.059667 4.958810 
1 1 1    2   55   13 o   39.244   0.9438  1515.17   69.979  1547.26   89.784  1465.50  111.695   39.813   1.1617   38.676   1.4877 1.136723 1.887597 
1 1 1    2   55   14 o   6.9093   2.1639 -20.4030   56.951 -26.0191   75.508 -12.9925   86.737   6.5258   2.9159   7.2928   3.1979 -0.7670541 4.327723 
1 1 1    2   55   15 o   11.242   2.4696  126.666   59.645   94.485   77.864  172.364   92.786   9.8334   3.3773   12.651   3.6040 -2.817965 4.939111 
1 1 1    2   55   16 o   26.405   1.3071  687.692   66.135  669.549   86.367  713.412  102.831   26.026   1.7095   26.783   1.9778 -0.7571278 2.614247 
1 1 1    2   55   17 o   11.616   2.3421  152.333   61.426  214.448   77.870   50.016   99.942   14.201   2.9222   9.0316   3.6609 5.169520 4.684227 
1 1 1    2   55   18 o   6.7155   2.1713 -71.6381   62.940 -125.4372   80.398   13.527  101.156   5.2150   2.5316   8.2161   3.5285 -3.001089 4.342680 
1 1 1    2   55   19 o   17.753   2.1275  355.868   66.930  416.203   85.971  263.033  106.641   20.250   2.1871   15.256   3.6499 4.993886 4.254965 
1 1 1    2   55   20 o   23.559   1.6291  568.333   72.299  560.689   91.698  580.892  117.537   23.508   2.0094   23.609   2.5647 -0.1001968 3.258151 
1 1 1    2   56    0 o   31.438   5.6824  1115.75   72.865  1117.19   73.095  888.250  919.347   33.888   1.1112   28.987   11.310 4.901354 11.36473 
1 1 1    2   56    1 o   22.699   6.0029  365.251   65.223  366.225   65.301 -41.1613  1333.44   19.370   1.7367   26.028   11.880 -6.658092 12.00585 
1 1 1    2   56    2 o   36.925   5.6604  2196.83   87.771  2209.55   88.085  421.049  1040.67   47.671   0.9519   26.178   11.281 21.49270 11.32085 
1 1 1    2   56    3 o   22.423   5.7829  242.041   67.614  238.189   67.797  952.817  920.948   15.587   2.2407   29.259   11.347 -13.67157 11.56585 
1 1 1    2   56    4 o   15.229   1.9629  242.593   54.507  277.135   70.675  191.892   85.626   16.816   2.1652   13.643   3.2748 3.172722 3.925807 
1 1 1    2   56    5 o   27.530   1.1916  715.224   59.450  674.117   71.250  809.429  107.860   26.299   1.3957   28.762   1.9319 -2.463442 2.383273 
1 1 1    2   56    6 o   16.023   1.9718  242.951   56.615  215.523   68.204  303.727  101.528   14.806   2.3731   17.241   3.1496 -2.435487 3.943577 
1 1 1    2   56    7 o   20.135   1.5644  364.324   57.624  304.028   68.837  505.513  105.338   17.610   2.0137   22.661   2.3947 -5.050655 3.128821 
1 1 1    2   56    8 o   24.374   1.3680  586.205   59.265  591.880   71.007  573.176  107.600   24.620   1.4858   24.127   2.2974 0.4928551 2.735973 
1 1 1    2   56    9 o   23.130   1.4341  524.557   57.542  523.122   67.614  528.325  109.582   23.137   1.5055   23.124   2.4413 0.1293373E-01 2.868121 
1 1 1    2   56   10 o   12.493   2.4104  136.782   67.614   31.914   88.379  284.786  104.994   8.4386   3.4345   16.547   3.3830 -8.108010 4.820812 
1 1 1    2   56   11 o   35.704   0.9911  1240.47   66.354  1224.56   83.414  1267.88  109.499   35.425   1.2130   35.982   1.5677 -0.5568962 1.982173 
1 1 1    2   56   12 o   12.508   2.3096  165.304   55.719  170.264   70.652  157.145   90.622   12.771   2.9143   12.245   3.5840 0.5261698 4.619295 
1 1 1    2   56   13 o   9.6836   2.4326   71.945   59.051   26.587   76.369  139.385   93.122   7.7662   3.1803   11.601   3.6818 -3.834756 4.865173 
1 1 1    2   56   14 o   37.211   1.0215  1358.71   71.249  1353.05   89.725  1368.39  117.221   37.166   1.2437   37.257   1.6208 -0.9126663E-01 2.042978 
1 1 1    2   56   15 o   10.811   2.4452  106.928   60.178   53.171   77.890  186.538   94.786   8.5069   3.2996   13.115   3.6095 -4.607776 4.890384 
1 1 1    2   56   16 o   21.277   1.5806  451.733   62.994  442.218   79.008  468.337  104.368   21.065   1.9322   21.489   2.5020 -0.4243374 3.161190 
1 1 1    2   56   17 o   18.737   1.7794  348.900   62.927  319.449   78.917  400.320  104.277   17.761   2.2889   19.712   2.7251 -1.951303 3.558857 
1 1 1    2   56   18 o   18.691   2.1514  428.040   66.927  560.230   85.244  215.616  108.061   23.650   1.8568   13.732   3.8815 9.917489 4.302748 
1 1 1    2   56   19 o   8.5508   2.5409   26.652   69.489  -2.0418   87.156   76.719  115.127   7.3105   3.2056   9.7911   3.9431 -2.480618 5.081713 
1 1 1    2   56   20 o   10.990   2.6184  139.028   68.181  168.828   85.422   86.720  113.174   12.118   3.4600   9.8612   3.9308 2.256793 5.236708 
1 1 1    2   57    0 o   24.517   5.4456  673.177   70.618  677.376   70.720 -776.8131  1314.16   26.363   1.3819   22.671   10.803 3.691910 10.89128 
1 1 1    2   57    1 o   26.032   5.5531  749.184   73.411  752.254   73.566   27.042  1128.29   27.783   1.3641   24.281   11.022 3.502047 11.10629 
1 1 1    2   57    2 o   13.972   5.3211 -34.4351   67.363 -32.7511   67.486 -495.3313  1116.47   6.0575   2.7277   21.886   10.287 -15.82851 10.64229 
1 1 1    2   57    3 o   43.284   6.0384  2001.83   87.336  1999.64   87.656  2300.17  1023.20   45.338   0.9960   41.229   12.036 4.108894 12.07679 
1 1 1    2   57    4 o   14.868   5.1676   62.302   67.161   64.429   67.310 -416.8274  1010.22   8.7122   3.1279   21.023   9.8504 -12.31101 10.33510 
1 1 1    2   57    5 o   20.350   1.5817  409.018   57.585  412.190   69.312  401.951  103.466   20.529   1.7393   20.172   2.6423 0.3571606 3.163421 
1 1 1    2   57    6 o   14.156   2.1471  217.265   55.196  245.748   67.625  160.418   95.537   15.807   2.2038   12.505   3.6854 3.301890 4.294109 
1 1 1    2   57    7 o   55.823   0.8757  3047.45   88.422  3063.84  107.290  3012.73  156.114   56.104   0.9851   55.542   1.4480 0.5621262 1.751314 
1 1 1    2   57    8 o   22.473   1.5086  530.193   58.762  581.963   71.095  418.578  104.391   24.400   1.5010   20.546   2.6174 3.854328 3.017291 
1 1 1    2   57    9 o   42.472   0.9017  1757.36   69.516  1751.53   84.434  1769.62  122.480   42.405   1.0257   42.540   1.4832 -0.1356659 1.803333 
1 1 1    2   57   10 o   28.229   1.0616  742.780   52.734  696.091   61.712  869.149  101.526   26.708   1.1903   29.749   1.7581 -3.041189 2.123125 
1 1 1    2   57   11 f   15.060   2.0296  232.763   56.582  234.563   72.381  229.934   90.733   15.342   2.4304   14.778   3.2512 0.5638695 4.059268 
1 1 1    2   57   12 o   5.0732   1.7508 -142.5892   56.602 -97.1460   71.476 -219.0153   92.693   5.1653   2.4770   4.9811   2.4751 0.1841192 3.501670 
1 1 1    2   57   13 o   15.547   2.1091  249.668   59.850  234.888   75.698  274.313   97.748   15.032   2.6931   16.063   3.2466 -1.030629 4.218186 
1 1 1    2   57   14 f   23.593   1.4371  538.941   63.117  503.159   77.757  608.053  108.065   22.547   1.7766   24.639   2.2594 -2.092028 2.874264 
1 1 1    2   57   15 o   9.0391   2.4732   62.461   60.333   55.857   76.635   73.228   97.847   8.5105   3.2807   9.5677   3.7018 -1.057251 4.946384 
1 1 1    2   57   16 o   21.856   1.5482  478.692   63.364  470.321   79.518  493.254  104.874   21.701   1.8877   22.010   2.4546 -0.3096275 3.096493 
1 1 1    2   57   17 o   15.523   2.3493  260.262   66.811  246.170   84.050  284.451  110.114   15.120   2.9697   15.926   3.6411 -0.8065481 4.698568 
1 1 1    2   57   18 o   7.6468   2.3830 -21.4342   66.864 -59.9168   83.301   48.268  112.109   6.1564   2.8661   9.1372   3.8079 -2.980776 4.765973 
1 1 1    2   57   19 o   6.6566   2.1752 -64.2572   69.043  -0.4345   85.083 -187.3263  118.148   7.2133   3.1650   6.0999   2.9847 1.113382 4.350354 
1 1 1    2   58    0 o   54.418   0.9661  2881.06  102.053  2881.06  102.053   0.0000   0.0000   54.418   0.9661  ?   ?       ?      ? 
1 1 1    2   58    1 o   30.211   6.7436  835.612   72.360  834.537   72.448  1280.62  1474.00   29.261   1.2755   31.161   13.427 -1.899668 13.48715 
1 1 1    2   58    2 o   64.219   8.8030  5699.21  161.826  5700.69  162.305  5449.66  2107.13   76.517   1.0927   51.921   17.572 24.59664 17.60602 
1 1 1    2   58    3 f   19.019   6.0873   89.916   66.088   86.303   66.218  1005.53  1054.28   9.4786   3.1130   28.560   11.770 -19.08140 12.17463 
1 1 1    2   58    4 o   24.274   6.5544  266.191   66.770  262.342   66.868  1580.94  1235.96   16.337   2.1086   32.212   12.938 -15.87509 13.10881 
1 1 1    2   58    5 o   8.3083   2.3452   12.393   55.118 -22.9137   66.046   93.404  100.043   6.1658   2.7431   10.451   3.8047 -4.285087 4.690478 
1 1 1    2   58    6 o   26.319   1.2189  642.549   58.440  581.539   69.959  783.430  106.308   24.394   1.4774   28.243   1.9390 -3.849590 2.437728 
1 1 1    2   58    7 o   20.786   1.5225  404.076   57.063  370.636   67.813  485.189  105.615   19.437   1.7973   22.136   2.4579 -2.698957 3.044959 
1 1 1    2   58    8 o   29.581   1.1817  877.312   62.138  908.803   74.992  808.327  110.993   30.511   1.2662   28.652   1.9956 1.858931 2.363391 
1 1 1    2   58    9 o   8.0702   2.3015   33.954   55.470   58.519   67.079 -19.1775   98.650   8.4301   3.1084   7.7103   3.3950 0.7197104 4.603043 
1 1 1    2   58   10 o   17.298   1.6816  287.885   54.225  263.330   66.721  335.656   93.062   16.299   2.1088   18.298   2.6200 -1.999260 3.363270 
1 1 1    2   58   11 o   21.802   1.4811  486.785   60.215  540.275   78.077  408.269   94.595   23.409   1.7182   20.196   2.4128 3.212219 2.962128 
1 1 1    2   58   12 o   10.101   2.5001   86.292   60.925   46.552   77.820  149.219   97.926   8.3211   3.2776   11.881   3.7761 -3.560184 5.000126 
1 1 1    2   58   13 o   33.826   1.0932  1094.98   69.792  999.148   87.430  1263.32  115.873   31.885   1.4125   35.766   1.6690 -3.880760 2.186482 
1 1 1    2   58   14 f   8.6098   2.4864   37.686   63.497   25.042   79.268   60.329  106.076   7.7584   3.2150   9.4612   3.7938 -1.702822 4.972847 
1 1 1    2   58   15 o   9.9592   2.5505   67.786   64.664   12.276   80.059  171.957  109.674   7.4435   3.1662   12.475   3.9995 -5.031210 5.101085 
1 1 1    2   58   16 o   13.579   2.5196  203.799   65.927  195.031   83.937  217.920  106.516   13.308   3.2722   13.850   3.8322 -0.5424576 5.039156 
1 1 1    2   58   17 o   8.6412   2.4801   48.291   66.125   77.307   83.690   0.0785  107.879   9.1795   3.4546   8.1028   3.5594 1.076687 4.960227 
1 1 1    2   58   18 o   25.684   1.5619  680.570   72.746  688.197   88.884  665.094  126.604   26.162   1.7502   25.205   2.5875 0.9563427 3.123880 
1 1 1    2   59    0 o   19.117   1.7846  358.138   66.224  358.138   66.224   0.0000   0.0000   19.117   1.7846  ?   ?       ?      ? 
1 1 1    2   59    1 o   34.602   1.1377  1166.70   76.418  1166.70   76.418   0.0000   0.0000   34.602   1.1377  ?   ?       ?      ? 
1 1 1    2   59    2 o   28.595   8.1713  378.917   67.317  375.931   67.349  3478.04  2169.80   19.585   1.7715   37.604   16.246 -18.01882 16.34267 
1 1 1    2   59    3 o   23.394   7.6102   69.081   66.883   64.080   66.942  2913.78  1596.60   8.6572   3.1182   38.131   14.898 -29.47340 15.22037 
1 1 1    2   59    4 o   9.5335   3.0929   88.703   65.439   88.703   65.439   0.0000   0.0000   9.5335   3.0929  ?   ?       ?      ? 
1 1 1    2   59    5 o   36.768   1.0005  1329.18   65.738  1342.09   79.070  1300.28  118.301   37.109   1.0977   36.427   1.6730 0.6814651 2.000943 
1 1 1    2   59    6 o   63.359   0.8994  3900.64  102.433  3870.11  123.236  3968.87  184.239   63.029   1.0072   63.689   1.4902 -0.6595650 1.798702 
1 1 1    2   59    7 o   8.6802   2.3811   32.311   53.524   4.3938   63.006  104.697  101.454   6.6316   2.8145   10.729   3.8414 -4.097189 4.762141 
1 1 1    2   59    8 o   7.2687   2.1959   5.3948   51.354   3.4002   61.910   9.7941   91.946   6.5380   2.7828   7.9994   3.3977 -1.461360 4.391827 
1 1 1    2   59    9 f   14.668   1.9978  212.841   51.985  191.893   62.870  258.124   92.435   13.662   2.4611   15.673   3.1476 -2.010761 3.995538 
1 1 1    2   59   10 o   7.8507   2.1953 -48.5675   55.824 -133.4077   68.111  125.053   97.436   4.5540   2.2360   11.147   3.7786 -6.593450 4.390663 
1 1 1    2   59   11 o   9.9587   2.0925  112.981   48.814  155.095   56.551 -10.1242   96.686   12.211   2.4706   7.7067   3.3779 4.504071 4.184999 
1 1 1    2   59   12 o   22.083   1.6086  514.534   64.391  583.918   81.734  401.020  104.544   24.297   1.7329   19.869   2.7106 4.428644 3.217189 
1 1 1    2   59   13 o   15.831   2.2133  256.525   63.926  220.678   80.070  319.539  106.161   14.405   2.9625   17.257   3.2892 -2.852003 4.426665 
1 1 1    2   59   14 o   12.946   2.4995  165.378   64.438  106.996   79.890  274.077  109.010   10.179   3.4217   15.714   3.6444 -5.534617 4.998986 
1 1 1    2   59   15 o   15.075   2.3810  253.405   66.966  270.682   83.616  222.504  111.828   16.196   2.6596   13.954   3.9501 2.242473 4.761997 
1 1 1    2   59   16 o   8.2271   2.4773   24.766   67.317   32.682   83.296   9.8603  114.296   7.9690   3.2984   8.4852   3.6971 -0.5162148 4.954584 
1 1 1    2   59   17 o   16.564   2.2897  311.960   67.624  332.574   83.312  272.147  115.779   17.932   2.3934   15.195   3.9043 2.737268 4.579460 
1 1 1    2   60    0 o   38.798   1.0258  1466.33   77.259  1466.33   77.259   0.0000   0.0000   38.798   1.0258  ?   ?       ?      ? 
1 1 1    2   60    1 o   38.918   1.0375  1475.62   78.381  1475.62   78.381   0.0000   0.0000   38.918   1.0375  ?   ?       ?      ? 
1 1 1    2   60    2 o   45.551   0.9781  2020.70   86.482  2020.70   86.482   0.0000   0.0000   45.551   0.9781  ?   ?       ?      ? 
1 1 1    2   60    3 o   36.321   1.0877  1286.01   76.687  1286.01   76.687   0.0000   0.0000   36.321   1.0877  ?   ?       ?      ? 
1 1 1    2   60    4 o   26.439   1.3684  683.414   70.229  683.414   70.229   0.0000   0.0000   26.439   1.3684  ?   ?       ?      ? 
1 1 1    2   60    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   60    6 o   17.608   1.9684  362.508   54.938  422.276   65.705  223.627  100.158   20.732   1.6327   14.484   3.5822 6.247239 3.936729 
1 1 1    2   60    7 o   57.578   0.8495  3239.28   89.091  3236.35  108.632  3245.30  155.701   57.609   0.9714   57.546   1.3938 0.6300735E-01 1.698946 
1 1 1    2   60    8 o   46.472   0.8609  2118.55   72.968  2129.52   89.227  2096.38  126.786   46.718   0.9839   46.225   1.4130 0.4929771 1.721760 
1 1 1    2   60    9 o   20.165   1.5448  411.042   56.464  420.991   69.092  391.037   97.974   20.643   1.7242   19.687   2.5637 0.9558945 3.089530 
1 1 1    2   60   10 o   10.983   2.2424  137.214   55.837  186.970   67.414   28.487   99.654   13.367   2.6913   8.5990   3.5875 4.767478 4.484725 
1 1 1    2   60   11 o   18.482   1.6491  338.484   53.247  332.293   62.688  354.520  100.895   18.319   1.7629   18.646   2.7876 -0.3271637 3.298238 
1 1 1    2   60   12 o   8.5124   2.4557   41.313   62.952   51.682   79.019   23.299  104.152   8.4495   3.3106   8.5753   3.6278 -0.1258049 4.911348 
1 1 1    2   60   13 o   11.547   2.6057  145.298   65.000  153.548   81.331  130.715  108.139   11.852   3.3734   11.241   3.9722 0.6109505 5.211402 
1 1 1    2   60   14 o   8.5504   2.5040   39.339   66.213   44.723   82.809   29.794  110.253   8.3025   3.3440   8.7982   3.7279 -0.4957113 5.007937 
1 1 1    2   60   15 o   17.012   2.2783  332.040   68.649  372.299   85.348  258.263  115.538   19.091   2.3031   14.933   3.9318 4.158003 4.556667 
1 1 1    2   60   16 f   9.0027   2.5733   51.286   66.022   27.182   80.318  101.507  115.935   7.6782   3.2135   10.327   4.0201 -2.649003 5.146567 
1 1 1    2   61    0 o   17.847   1.8791  313.849   65.100  313.849   65.100   0.0000   0.0000   17.847   1.8791  ?   ?       ?      ? 
1 1 1    2   61    1 o   21.504   1.5751  453.657   65.747  453.657   65.747   0.0000   0.0000   21.504   1.5751  ?   ?       ?      ? 
1 1 1    2   61    2 o   33.080   1.1082  1067.97   71.163  1067.97   71.163   0.0000   0.0000   33.080   1.1082  ?   ?       ?      ? 
1 1 1    2   61    3 o   13.224   2.5205  180.090   62.338  180.090   62.338   0.0000   0.0000   13.224   2.5205  ?   ?       ?      ? 
1 1 1    2   61    4 o   5.5204   2.5396 -43.7047   62.586 -43.7047   62.586   0.0000   0.0000   5.5204   2.5396  ?   ?       ?      ? 
1 1 1    2   61    5 o   5.4653   2.5557 -61.8263   67.429 -61.8263   67.429   0.0000   0.0000   5.4653   2.5557  ?   ?       ?      ? 
1 1 1    2   61    6 o   15.187   2.1143  221.868   56.687  185.823   67.775  305.793  103.418   13.352   2.7076   17.023   3.2482 -3.670623 4.228671 
1 1 1    2   61    7 o   17.835   1.8705  348.060   56.113  386.046   68.363  269.628   98.234   19.758   1.7824   15.911   3.2891 3.846583 3.741040 
1 1 1    2   61    8 o   9.9432   2.3005  102.952   55.520  143.268   66.639   11.454  100.390   11.620   2.9492   8.2660   3.5315 3.354299 4.601030 
1 1 1    2   61    9 o   7.8488   2.1657   16.212   57.872   94.062   70.846 -139.9274  100.332   9.6892   3.2218   6.0084   2.8950 3.680774 4.331372 
1 1 1    2   61   10 o   12.849   2.3950  162.864   58.036  127.320   70.357  238.545  102.664   10.937   3.1455   14.761   3.6123 -3.824218 4.789913 
1 1 1    2   61   11 o   22.788   1.4240  484.484   54.973  450.755   62.867  594.061  113.313   21.365   1.5159   24.211   2.4110 -2.846394 2.847986 
1 1 1    2   61   12 o   20.542   1.7236  427.624   66.384  421.304   83.550  438.446  109.327   20.460   2.1036   20.623   2.7310 -0.1622105 3.447230 
1 1 1    2   61   13 o   16.554   2.2654  302.235   68.389  323.519   86.558  266.877  111.565   17.757   2.5111   15.351   3.7712 2.406803 4.530725 
1 1 1    2   61   14 o   17.420   2.2449  350.478   68.240  397.539   84.615  262.920  115.415   19.766   2.2053   15.074   3.9108 4.691496 4.489719 
1 1 1    2   61   15 o   15.528   2.4391  266.470   68.700  251.565   84.451  295.633  118.126   15.160   2.9760   15.897   3.8654 -0.7367411 4.878293 
1 1 1    2   61   16 o   7.4171   2.3636 -22.4687   66.444 -38.8056   80.203   13.277  118.636   6.3033   2.8906   8.5309   3.7404 -2.227601 4.727168 
1 1 1    2   62    0 o   29.197   1.2314  833.962   69.791  833.962   69.791   0.0000   0.0000   29.197   1.2314  ?   ?       ?      ? 
1 1 1    2   62    1 o   5.6617   2.5830 -37.0112   62.961 -37.0112   62.961   0.0000   0.0000   5.6617   2.5830  ?   ?       ?      ? 
1 1 1    2   62    2 o   24.009   1.4620  565.906   68.136  565.906   68.136   0.0000   0.0000   24.009   1.4620  ?   ?       ?      ? 
1 1 1    2   62    3 o   31.910   1.1590  995.710   71.791  995.710   71.791   0.0000   0.0000   31.910   1.1590  ?   ?       ?      ? 
1 1 1    2   62    4 o   26.809   1.3227  704.720   68.838  704.720   68.838   0.0000   0.0000   26.809   1.3227  ?   ?       ?      ? 
1 1 1    2   62    5 o   37.340   1.0998  1363.24   79.714  1363.24   79.714   0.0000   0.0000   37.340   1.0998  ?   ?       ?      ? 
1 1 1    2   62    6 o   18.873   1.7277  367.215   58.235  382.711   70.802  334.806  102.392   19.647   1.8564   18.100   2.9143 1.547586 3.455353 
1 1 1    2   62    7 o   18.937   1.7875  385.994   56.457  415.726   67.770  318.559  102.062   20.510   1.7021   17.364   3.1438 3.146814 3.575009 
1 1 1    2   62    8 o   37.192   1.0122  1360.37   66.860  1359.69   79.864  1361.97  122.244   37.278   1.1037   37.106   1.6971 0.1716042 2.024423 
1 1 1    2   62    9 o   14.676   2.2070  252.633   58.732  299.515   71.743  157.371  102.269   17.282   2.1385   12.071   3.8613 5.211544 4.413945 
1 1 1    2   62   10 o   14.696   2.2646  247.832   59.648  276.359   71.640  183.369  107.692   16.551   2.2297   12.840   3.9422 3.711871 4.529122 
1 1 1    2   62   11 o   23.007   1.4388  519.810   55.899  507.469   64.455  557.258  112.277   22.658   1.4654   23.356   2.4765 -0.6972046 2.877578 
1 1 1    2   62   12 o   10.371   2.3228  123.607   56.083  158.978   64.645   15.977  112.765   12.149   2.7987   8.5922   3.7080 3.557190 4.645597 
1 1 1    2   62   13 o   10.115   2.4214  102.096   67.424  175.907   82.725 -43.9496  116.365   12.545   3.3384   7.6847   3.5082 4.860105 4.842741 
1 1 1    2   62   14 o   13.307   2.6741  198.486   69.317  179.303   84.882  236.887  120.100   12.561   3.3987   14.053   4.1295 -1.492101 5.348270 
1 1 1    2   62   15 o   10.981   2.5555  137.026   71.982  204.695   89.947   16.497  120.043   13.338   3.4485   8.6243   3.7724 4.714103 5.111094 
1 1 1    2   63    0 o   20.061   1.7648  398.116   68.723  398.116   68.723   0.0000   0.0000   20.061   1.7648  ?   ?       ?      ? 
1 1 1    2   63    1 o   13.523   2.4827  189.413   62.770  189.413   62.770   0.0000   0.0000   13.523   2.4827  ?   ?       ?      ? 
1 1 1    2   63    2 o   15.344   2.2229  235.539   66.207  235.539   66.207   0.0000   0.0000   15.344   2.2229  ?   ?       ?      ? 
1 1 1    2   63    3 o   25.909   1.3951  659.461   70.167  659.461   70.167   0.0000   0.0000   25.909   1.3951  ?   ?       ?      ? 
1 1 1    2   63    4 o   12.386   2.8304  162.026   66.566  162.026   66.566   0.0000   0.0000   12.386   2.8304  ?   ?       ?      ? 
1 1 1    2   63    5 o   18.334   1.9347  334.057   68.858  334.057   68.858   0.0000   0.0000   18.334   1.9347  ?   ?       ?      ? 
1 1 1    2   63    6 o   23.383   1.2783  530.079   56.579  490.353   71.367  597.293   92.829   22.273   1.6506   24.494   1.9524 -2.220966 2.556618 
1 1 1    2   63    7 o   11.758   2.4635  134.601   57.935  101.012   70.440  204.830  101.854   9.8986   3.2086   13.618   3.7391 -3.718877 4.927037 
1 1 1    2   63    8 o   11.585   2.5335  142.577   59.883  139.880   72.201  148.520  107.187   11.384   3.1570   11.786   3.9634 -0.4018307 5.067037 
1 1 1    2   63    9 o   11.479   2.4299  143.415   55.736  147.492   66.354  133.645  102.718   11.699   2.9286   11.259   3.8784 0.4402914 4.859873 
1 1 1    2   63   10 o   19.774   1.8993  427.555   60.399  450.936   70.792  364.998  115.795   21.279   1.7138   18.269   3.3900 3.010284 3.798546 
1 1 1    2   63   11 o   11.294   2.3290  155.711   57.570  193.230   65.994   36.245  117.761   13.486   2.6153   9.1027   3.8546 4.383234 4.658083 
1 1 1    2   63   12 o   20.731   1.7572  435.005   57.275  428.787   64.316  458.832  125.895   20.746   1.5970   20.716   3.1306 0.3007507E-01 3.514467 
1 1 1    2   63   13 f   22.259   1.7214  488.188   70.979  432.771   86.398  603.248  124.493   20.564   2.1643   23.954   2.6773 -3.389664 3.442703 
1 1 1    2   64    0 o   19.139   1.8591  363.516   69.069  363.516   69.069   0.0000   0.0000   19.139   1.8591  ?   ?       ?      ? 
1 1 1    2   64    1 o   4.4563   2.1902 -130.2234   65.858 -130.2234   65.858   0.0000   0.0000   4.4563   2.1902  ?   ?       ?      ? 
1 1 1    2   64    2 o   16.791   2.0600  281.402   67.145  281.402   67.145   0.0000   0.0000   16.791   2.0600  ?   ?       ?      ? 
1 1 1    2   64    3 f   18.712   1.9328  348.577   70.206  348.577   70.206   0.0000   0.0000   18.712   1.9328  ?   ?       ?      ? 
1 1 1    2   64    4 o   7.9338   3.1479   41.067   72.271   41.067   72.271   0.0000   0.0000   7.9338   3.1479  ?   ?       ?      ? 
1 1 1    2   64    5 o   17.153   2.1275  295.220   70.838  295.220   70.838   0.0000   0.0000   17.153   2.1275  ?   ?       ?      ? 
1 1 1    2   64    6 o   9.0394   3.2008   78.297   70.252   78.297   70.252   0.0000   0.0000   9.0394   3.2008  ?   ?       ?      ? 
1 1 1    2   64    7 o   16.114   2.2109  319.873   60.931  385.012   73.536  177.189  108.834   19.616   1.9312   12.612   3.9779 7.003662 4.421898 
1 1 1    2   64    8 o   29.269   1.3072  865.213   67.215  878.302   80.087  834.027  123.622   29.834   1.3829   28.703   2.2187 1.130342 2.614383 
1 1 1    2   64    9 o   8.0239   2.3969   23.557   63.961   55.191   75.819 -54.5196  119.113   8.3726   3.2532   7.6752   3.5208 0.6973882 4.793710 
1 1 1    2   64   10 o   11.293   2.6113  135.970   60.149  134.302   69.042  141.222  122.516   11.067   3.0936   11.519   4.2079 -0.4519835 5.222692 
1 1 1    2   64   11 o   14.409   2.3008  194.514   56.703  151.046   65.143  330.413  115.184   11.746   2.8793   17.072   3.5896 -5.325929 4.601686 
1 1 1    2   64   12 o   11.452   2.5564  124.884   57.139   93.886   65.790  220.055  115.275   9.3679   3.1042   13.536   4.0626 -4.168090 5.112771 
1 1 1    2   65    0 o   10.917   3.0026  127.704   65.620  127.704   65.620   0.0000   0.0000   10.917   3.0026  ?   ?       ?      ? 
1 1 1    2   65    1 f   29.394   1.2913  849.370   73.679  849.370   73.679   0.0000   0.0000   29.394   1.2913  ?   ?       ?      ? 
1 1 1    2   65    2 o   17.464   2.0384  305.618   69.103  305.618   69.103   0.0000   0.0000   17.464   2.0384  ?   ?       ?      ? 
1 1 1    2   65    3 o   7.6255   3.1164   30.069   73.145   30.069   73.145   0.0000   0.0000   7.6255   3.1164  ?   ?       ?      ? 
1 1 1    2   65    4 o   9.3520   3.2403   86.871   71.751   86.871   71.751   0.0000   0.0000   9.3520   3.2403  ?   ?       ?      ? 
1 1 1    2   65    5 o   21.461   1.7704  458.948   73.754  458.948   73.754   0.0000   0.0000   21.461   1.7704  ?   ?       ?      ? 
1 1 1    2   65    6 o   9.9387   3.1385  104.700   67.731  104.700   67.731   0.0000   0.0000   9.9387   3.1385  ?   ?       ?      ? 
1 1 1    2   65    7 o   9.8812   2.4214   35.057   57.360 -26.6155   66.261  219.457  114.576   5.9558   2.6904   13.807   4.0267 -7.850727 4.842797 
1 1 1    2   65    8 o   18.457   1.8808  332.580   61.317  305.173   71.845  406.085  117.657   17.352   2.1329   19.562   3.0984 -2.209620 3.761609 
1 1 1    2   65    9 o   16.877   2.2091  306.468   63.946  303.557   75.805  313.650  119.077   17.231   2.2663   16.524   3.7927 0.7071266 4.418225 
1 1 1    2   65   10 o   8.3666   2.4514   33.078   55.431   19.206   62.796   82.032  117.964   6.8198   2.8467   9.9134   3.9917 -3.093628 4.902783 
1 1 1    2   65   11 o   7.0075   2.1622   6.4903   53.398   37.511   59.738 -116.8167  119.102   7.2234   2.8632   6.7916   3.2407 0.4318228 4.324402 
1 1 1    2   66    0 o   15.186   2.3979  234.973   70.688  234.973   70.688   0.0000   0.0000   15.186   2.3979  ?   ?       ?      ? 
1 1 1    2   66    1 o   11.551   2.9719  144.476   67.019  144.476   67.019   0.0000   0.0000   11.551   2.9719  ?   ?       ?      ? 
1 1 1    2   66    2 o   24.204   1.5703  580.942   73.777  580.942   73.777   0.0000   0.0000   24.204   1.5703  ?   ?       ?      ? 
1 1 1    2   66    3 o   10.241   3.1956  112.219   70.440  112.219   70.440   0.0000   0.0000   10.241   3.1956  ?   ?       ?      ? 
1 1 1    2   66    4 o   11.250   3.0778  138.006   69.158  138.006   69.158   0.0000   0.0000   11.250   3.0778  ?   ?       ?      ? 
1 1 1    2   66    5 o   8.6346   3.1444   69.792   68.336   69.792   68.336   0.0000   0.0000   8.6346   3.1444  ?   ?       ?      ? 
1 1 1    2   66    6 o   13.593   2.8098  199.094   71.692  199.094   71.692   0.0000   0.0000   13.593   2.8098  ?   ?       ?      ? 
1 1 1    2   66    7 o   12.137   2.4586  172.686   61.497  197.912   75.595  123.325  105.745   13.452   2.9739   10.823   3.9160 2.629586 4.917254 
1 1 1    2   66    8 o   9.7112   2.5392   54.334   62.201   1.0281   73.714  186.140  115.913   6.8275   2.9720   12.595   4.1178 -5.767490 5.078302 
1 1 1    2   66    9 o   14.311   2.5022  223.276   63.693  205.809   74.818  269.261  121.396   13.677   2.9076   14.945   4.0731 -1.268407 5.004415 
1 1 1    2   67    0 o   10.771   3.1757  126.743   70.921  126.743   70.921   0.0000   0.0000   10.771   3.1757  ?   ?       ?      ? 
1 1 1    2   67    1 o   13.618   2.7844  199.284   71.121  199.284   71.121   0.0000   0.0000   13.618   2.7844  ?   ?       ?      ? 
1 1 1    2   67    2 o   11.408   3.0679  142.818   69.412  142.818   69.412   0.0000   0.0000   11.408   3.0679  ?   ?       ?      ? 
1 1 1    2   67    3 o   7.0019   2.9495   16.093   68.373   16.093   68.373   0.0000   0.0000   7.0019   2.9495  ?   ?       ?      ? 
1 1 1    2   67    4 o   21.556   1.6530  463.784   69.167  463.784   69.167   0.0000   0.0000   21.556   1.6530  ?   ?       ?      ? 
1 1 1    2   67    5 o   15.122   2.3477  235.179   68.914  235.179   68.914   0.0000   0.0000   15.122   2.3477  ?   ?       ?      ? 
1 1 1    2   67    6 o   14.549   2.6534  227.220   72.178  227.220   72.178   0.0000   0.0000   14.549   2.6534  ?   ?       ?      ? 
1 1 1    2   67    7 o   11.835   3.1065  157.065   72.272  157.065   72.272   0.0000   0.0000   11.835   3.1065  ?   ?       ?      ? 
1 1 1    2   67    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   68    0 o   10.339   3.2091  117.510   71.143  117.510   71.143   0.0000   0.0000   10.339   3.2091  ?   ?       ?      ? 
1 1 1    2   68    1 o   6.1636   2.7848 -25.2720   71.029 -25.2720   71.029   0.0000   0.0000   6.1636   2.7848  ?   ?       ?      ? 
1 1 1    2   68    2 o   25.901   1.4808  667.437   74.453  667.437   74.453   0.0000   0.0000   25.901   1.4808  ?   ?       ?      ? 
1 1 1    2   68    3 f   7.3577   3.0253   29.987   69.461   29.987   69.461   0.0000   0.0000   7.3577   3.0253  ?   ?       ?      ? 
1 1 1    2   68    4 o   12.632   2.9342  176.551   70.575  176.551   70.575   0.0000   0.0000   12.632   2.9342  ?   ?       ?      ? 
1 1 1    2   68    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   69    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    0 o  162.737   1.9555 26011.83  564.816 25050.77  1024.01 26432.07  677.135  160.509   3.2897  164.965   2.1153 -0.000000 0.000000 
1 1 1    3    0    1 o   61.243   0.7068  3642.65   83.963  3683.79  120.132  3603.35  117.399   61.581   1.0056   60.905   0.9936 -0.000000 0.000000 
1 1 1    3    0    2 o  339.328   1.7838 111801.40  1174.83 111741.10  1659.64 111862.00  1663.28  339.236   2.5206  339.419   2.5247 -0.000000 0.000000 
1 1 1    3    0    3 o   83.216   0.8432  6725.19  136.135  6787.69  193.313  6663.71  191.745   83.599   1.1918   82.832   1.1931 -0.000000 0.000000 
1 1 1    3    0    4 f  204.384   1.5429 40590.49  600.671 40705.85  778.884 40421.20  943.560  204.752   1.9601  204.016   2.3833 -0.000000 0.000000 
1 1 1    3    0    5 o  258.325   1.6347 64914.23  813.771 63774.09  1220.08 65827.88  1092.20  256.270   2.4531  260.379   2.1612 -0.000000 0.000000 
1 1 1    3    0    6 f  133.514   1.1822 17303.08  306.205 17743.93  439.164 16885.98  427.165  135.169   1.6743  131.859   1.6695 -0.000000 0.000000 
1 1 1    3    0    7 o   60.967   1.8947  3589.86  115.651  3678.45  430.086  3582.96  120.074   61.204   3.6497   60.730   1.0192 -0.000000 0.000000 
1 1 1    3    0    8 o  115.479   1.0891 12951.11  244.018 13086.66  347.094 12818.63  343.126  116.076   1.5410  114.881   1.5393 -0.000000 0.000000 
1 1 1    3    0    9 o  286.773   1.7136 79955.45  948.215 79042.12  1415.36 80699.16  1277.21  285.275   2.5563  288.271   2.2827 -0.000000 0.000000 
1 1 1    3    0   10 o  201.750   1.4604 39525.04  571.771 39468.34  805.119 39582.73  812.139  201.604   2.0578  201.896   2.0727 -0.000000 0.000000 
1 1 1    3    0   11 o   53.429   0.7185  2772.99   74.450  2824.47  106.438  2723.67  104.175   53.915   1.0178   52.944   1.0145 -0.000000 0.000000 
1 1 1    3    0   12 o  146.011   1.2806 20698.64  362.780 21074.90  517.967 20336.35  508.269  147.314   1.8119  144.708   1.8100 -0.000000 0.000000 
1 1 1    3    0   13 o   74.090   0.8893  5332.24  127.804  5381.69  181.891  5284.01  179.616   74.429   1.2598   73.750   1.2555 -0.000000 0.000000 
1 1 1    3    0   14 o  317.336   1.7363 97756.04  1069.25 96423.34  1494.56 99153.38  1530.38  315.121   2.4436  319.551   2.4675 -0.000000 0.000000 
1 1 1    3    0   15 o   22.936   1.2567  519.958   55.096  517.023   79.963  522.610   76.021   22.861   1.8288   23.011   1.7241 -0.000000 0.000000 
1 1 1    3    0   16 o  497.909   3.1411 240817.50  3032.27 237267.59  4181.33 244755.41  4403.87  494.054   4.3606  501.763   4.5222 -0.000000 0.000000 
1 1 1    3    0   17 o  177.535   1.4579 30616.71  502.284 30361.83  709.752 30872.42  710.924  176.794   2.0688  178.275   2.0549 -0.000000 0.000000 
1 1 1    3    0   18 o  165.501   1.4184 26604.53  455.470 26328.07  637.887 26892.08  650.563  164.624   1.9968  166.377   2.0150 -0.000000 0.000000 
1 1 1    3    0   19 o  141.576   1.3475 19466.70  370.099 19068.15  516.787 19886.32  530.271  140.088   1.9012  143.063   1.9102 -0.000000 0.000000 
1 1 1    3    0   20 o  152.578   1.4147 22624.16  418.833 22965.91  595.029 22288.56  589.647  153.721   1.9948  151.435   2.0067 -0.000000 0.000000 
1 1 1    3    0   21 o  123.397   1.3392 14811.51  319.806 14671.22  468.157 14934.26  437.905  122.841   1.9644  123.953   1.8208 -0.000000 0.000000 
1 1 1    3    0   22 o   62.750   0.9929  3826.49  120.753  3688.01  168.086  3974.18  173.587   61.576   1.4079   63.924   1.4004 -0.000000 0.000000 
1 1 1    3    0   23 f   40.858   1.1256  1628.05   88.941  1684.32  127.435  1574.61  124.191   41.550   1.5852   40.166   1.5986 -0.000000 0.000000 
1 1 1    3    0   24 o   81.260   1.1562  6424.18  182.190  6331.59  258.490  6515.58  256.830   80.675   1.6521   81.844   1.6180 -0.000000 0.000000 
1 1 1    3    0   25 o   64.849   1.0879  4094.06  136.665  4068.63  196.870  4117.71  189.867   64.651   1.5708   65.048   1.5055 -0.000000 0.000000 
1 1 1    3    0   26 o   59.702   1.1236  3461.48  129.812  3669.04  190.017  3279.84  177.759   61.378   1.5973   58.026   1.5808 -0.000000 0.000000 
1 1 1    3    0   27 o   70.790   1.1638  4870.92  159.565  4595.65  220.454  5173.82  231.251   68.688   1.6555   72.891   1.6362 -0.000000 0.000000 
1 1 1    3    0   28 o   65.828   1.1256  4220.36  143.558  4326.39  207.484  4122.99  198.835   66.620   1.6065   65.037   1.5770 -0.000000 0.000000 
1 1 1    3    0   29 o   22.643   2.1245  528.972   88.716  546.626  125.779  511.495  125.151   23.066   2.9394   22.221   3.0682 -0.000000 0.000000 
1 1 1    3    0   30 o   27.527   1.7659  767.880   91.537  668.913  131.614  860.605  127.396   25.670   2.7104   29.385   2.2643 -0.000000 0.000000 
1 1 1    3    0   31 o   17.797   2.9186  370.544   86.713  496.380  125.765  256.515  119.720   21.685   3.1901   13.909   4.8884 -0.000000 0.000000 
1 1 1    3    0   32 o   31.190   1.6771  986.363   99.161  877.206  144.133  1084.46  136.637   29.417   2.5691   32.963   2.1565 -0.000000 0.000000 
1 1 1    3    0   33 o   8.7968   3.4708  107.141   94.019  177.104  133.501   38.292  132.433   10.489   5.2938   7.1044   4.4903 -0.000000 0.000000 
1 1 1    3    0   34 o   25.802   2.1188  711.589   99.657  641.798  150.844  765.646  132.756   24.356   3.3755   27.248   2.5619 -0.000000 0.000000 
1 1 1    3    1    0 o  278.817   1.7081 75497.79  924.455 75539.95  1308.19 75455.74  1306.56  278.895   2.4164  278.739   2.4147 0.1553650 3.416111 
1 1 1    3    1    1 f   95.964   0.7003  8925.29  130.142  8750.29  177.284  9129.82  191.652   94.945   0.9619   96.982   1.0180 -2.036659 1.400577 
1 1 1    3    1    2 o   92.220   0.6587  8258.85  117.847  8103.60  168.422  8407.79  164.954   91.371   0.9496   93.070   0.9130 -1.699356 1.317314 
1 1 1    3    1    3 o  130.426   0.8735 16558.98  219.020 16156.90  331.478 16870.54  291.786  129.016   1.3236  131.836   1.1402 -2.819931 1.746943 
1 1 1    3    1    4 o  218.979   1.1790 46522.00  496.087 46735.07  758.338 46362.60  655.904  219.415   1.7805  218.544   1.5461 0.8714447 2.358061 
1 1 1    3    1    5 o  141.088   0.9288 19335.91  251.596 19413.38  332.535 19232.18  384.777  141.420   1.2113  140.756   1.4082 0.6641541 1.857543 
1 1 1    3    1    6 o  227.720   1.0806 50348.86  476.292 50410.08  649.583 50277.69  700.447  227.872   1.4685  227.568   1.5856 0.3037262 2.161183 
1 1 1    3    1    7 o  292.883   1.2149 83252.27  689.182 84000.95  1010.69 82601.59  942.210  294.109   1.7703  291.658   1.6642 2.450928 2.429721 
1 1 1    3    1    8 o   88.648   0.7373  7651.02  123.982  7521.74  196.664  7736.29  159.719   88.024   1.1510   89.273   0.9217 -1.249748 1.474506 
1 1 1    3    1    9 o  190.714   0.9954 35307.35  368.478 34841.85  518.091 35783.84  524.177  189.442   1.4089  191.986   1.4065 -2.543900 1.990765 
1 1 1    3    1   10 o  123.625   0.8277 14835.29  198.635 14846.58  280.912 14824.00  280.911  123.672   1.1701  123.578   1.1710 0.9405518E-01 1.655445 
1 1 1    3    1   11 o   71.385   0.5973  4945.94   82.765  4911.60  116.524  4980.90  117.577   71.135   0.8438   71.635   0.8455 -0.5001221 1.194577 
1 1 1    3    1   12 o  136.169   0.8594 17998.13  227.169 18123.78  322.021 17873.66  320.515  136.642   1.2140  135.696   1.2168 0.9461517 1.718861 
1 1 1    3    1   13 o  328.690   1.2340 104883.80  787.318 105150.20  1115.44 104619.20  1111.44  329.106   1.7460  328.274   1.7442 0.8318787 2.467916 
1 1 1    3    1   14 o   67.367   0.6165  4405.16   80.618  4446.03  114.052  4364.34  113.970   67.679   0.8681   67.054   0.8756 0.6246185 1.233003 
1 1 1    3    1   15 o  183.567   1.0960 32703.27  387.691 32630.97  517.704 32795.60  585.001  183.339   1.4547  183.796   1.6397 -0.4569550 2.191930 
1 1 1    3    1   16 o  158.696   0.9906 24449.71  305.162 24593.64  432.404 24306.88  430.730  159.161   1.3995  158.230   1.4023 0.9307098 1.981227 
1 1 1    3    1   17 o  213.776   1.2108 44381.75  502.459 44331.46  711.027 44431.92  710.142  213.655   1.7144  213.897   1.7103 -0.2422485 2.421626 
1 1 1    3    1   18 o  100.827   0.7897  9868.65  154.548  9724.10  217.110 10017.15  220.048  100.079   1.1176  101.576   1.1160 -1.496849 1.579368 
1 1 1    3    1   19 o  195.835   1.1054 37250.13  420.200 37227.79  594.640 37272.43  593.865  195.776   1.5647  195.893   1.5617 -0.1176147 2.210710 
1 1 1    3    1   20 o   68.913   0.6949  4611.48   92.933  4600.55  132.962  4621.92  129.945   68.833   0.9951   68.993   0.9703 -0.1603775 1.389827 
1 1 1    3    1   21 o   73.152   0.7045  5196.47  100.042  5165.58  141.551  5227.31  141.411   72.935   0.9998   73.370   0.9929 -0.4347839 1.409053 
1 1 1    3    1   22 o   52.813   0.6870  2708.05   70.416  2672.44   98.493  2745.28  100.710   52.458   0.9672   53.168   0.9758 -0.7098770 1.373929 
1 1 1    3    1   23 f  120.379   1.0789 14084.87  252.109 13963.37  354.297 14209.49  358.817  119.853   1.5228  120.904   1.5289 -1.050957 2.157875 
1 1 1    3    1   24 o   62.406   0.7477  3783.45   90.572  3834.04  128.034  3732.78  128.143   62.824   1.0499   61.988   1.0649 0.8359451 1.495416 
1 1 1    3    1   25 o   53.425   0.7734  2772.02   80.181  2728.06  111.574  2818.98  115.302   52.987   1.0847   53.862   1.1028 -0.8747559 1.546868 
1 1 1    3    1   26 o   54.316   0.7956  2867.45   83.882  2889.31  118.760  2845.68  118.493   54.522   1.1221   54.109   1.1281 0.4135590 1.591164 
1 1 1    3    1   27 o  111.398   1.0389 12079.38  224.663 12080.49  317.754 12078.26  317.689  111.403   1.4694  111.393   1.4692 0.1025391E-01 2.077873 
1 1 1    3    1   28 o   29.914   1.0958  871.588   63.583  841.922   87.890  904.161   92.097   29.382   1.5410   30.447   1.5583 -1.065004 2.191531 
1 1 1    3    1   29 o   35.206   0.9965  1209.65   68.000  1208.69   98.845  1210.52   93.695   35.188   1.4471   35.225   1.3703 -0.3710175E-01 1.992930 
1 1 1    3    1   30 o   20.108   1.6107  399.487   62.825  420.388   90.447  380.001   87.330   20.618   2.2598   19.597   2.2957 1.021202 3.221308 
1 1 1    3    1   31 o   14.468   2.3092  222.069   63.330  244.303   91.865  201.933   87.425   15.182   3.2171   13.755   3.3136 1.427619 4.618404 
1 1 1    3    1   32 o   10.872   2.4884  115.691   63.710   53.985   88.644  181.622   91.628   8.8290   3.4916   12.915   3.5465 -4.085742 4.976840 
1 1 1    3    1   33 o   28.317   1.2668  800.820   69.513  860.485   98.914  742.599   97.709   29.385   1.7341   27.250   1.8471 2.134712 2.533578 
1 1 1    3    1   34 o   20.037   1.7964  417.911   69.786  404.440   95.841  433.114  101.815   19.714   2.5045   20.361   2.5760 -0.6471519 3.592809 
1 1 1    3    2    0 o   91.945   0.7041  8204.89  125.652  8113.38  176.295  8299.38  179.135   91.424   0.9934   92.466   0.9980 -1.041985 1.408125 
1 1 1    3    2    1 o  118.810   0.8166 13702.54  188.324 13749.92  266.149 13655.03  266.513  119.016   1.1520  118.605   1.1576 0.4114456 1.633129 
1 1 1    3    2    2 o  330.502   1.4500 106034.60  930.119 105165.20  1303.21 106937.20  1327.92  329.122   2.0398  331.882   2.0612 -2.760132 2.899902 
1 1 1    3    2    3 o  122.134   0.8346 14499.03  196.389 14310.48  295.476 14648.24  262.850  121.421   1.2536  122.846   1.1022 -1.425613 1.669283 
1 1 1    3    2    4 o  404.784   1.3312 159054.91  1045.94 158339.41  1470.02 159788.41  1488.53  403.863   1.8751  405.706   1.8901 -1.843109 2.662410 
1 1 1    3    2    5 o  481.909   1.4110 225309.09  1318.69 221974.00  1820.03 228994.59  1913.27  478.159   1.9608  485.658   2.0295 -7.498047 2.821984 
1 1 1    3    2    6 o  137.593   0.9202 18376.90  242.927 18368.29  320.030 18388.61  373.159  137.557   1.1985  137.629   1.3968 -0.7209778E-01 1.840477 
1 1 1    3    2    7 o  196.445   1.0012 37468.16  381.798 37618.65  541.233 37319.09  538.665  196.838   1.4165  196.053   1.4154 0.7852478 2.002445 
1 1 1    3    2    8 o  218.169   1.0415 46211.77  441.093 46388.58  625.638 46037.01  621.977  218.584   1.4745  217.754   1.4714 0.8297424 2.083084 
1 1 1    3    2    9 o  124.761   0.8912 15090.55  212.551 15225.44  331.464 14996.34  276.999  125.232   1.3635  124.290   1.1481 0.9413376 1.782486 
1 1 1    3    2   10 o  127.710   0.8236 15830.71  204.158 15675.74  287.175 15989.07  290.297  127.078   1.1642  128.342   1.1652 -1.263756 1.647114 
1 1 1    3    2   11 o  327.499   1.2623 104118.20  802.440 104688.60  1139.93 103558.00  1129.78  328.388   1.7882  326.610   1.7820 1.777985 2.524519 
1 1 1    3    2   12 o  475.396   1.4746 219351.91  1360.28 221777.09  1954.75 217074.70  1894.15  477.942   2.1069  472.851   2.0636 5.091248 2.949165 
1 1 1    3    2   13 f  456.636   1.4721 202448.20  1304.87 203031.20  1852.61 201874.30  1838.20  457.288   2.0870  455.984   2.0767 1.303864 2.944230 
1 1 1    3    2   14 o  255.858   1.1548 63552.79  573.560 63547.66  810.688 63557.94  811.585  255.847   1.6323  255.868   1.6340 -0.2062988E-01 2.309645 
1 1 1    3    2   15 o  159.326   0.9743 24642.84  301.332 24696.42  425.138 24588.75  427.165  159.500   1.3731  159.152   1.3827 0.3482819 1.948642 
1 1 1    3    2   16 o  281.776   1.5427 77111.45  843.822 77346.77  1195.43 76877.76  1191.27  282.205   2.1822  281.348   2.1812 0.8568115 3.085412 
1 1 1    3    2   17 o   82.495   0.7062  6606.50  113.095  6579.33  159.550  6633.94  160.333   82.325   0.9984   82.666   0.9992 -0.3409653 1.412480 
1 1 1    3    2   18 o  222.177   1.2473 47944.85  537.921 47583.33  758.343 48310.96  763.149  221.334   1.7650  223.020   1.7628 -1.686081 2.494542 
1 1 1    3    2   19 o  184.878   1.1664 33200.98  418.605 33060.37  590.467 33343.05  593.538  184.485   1.6488  185.272   1.6503 -0.7868958 2.332853 
1 1 1    3    2   20 o   56.831   0.6592  3133.58   72.674  3197.80  105.056  3074.64  100.641   57.389   0.9430   56.273   0.9213 1.115452 1.318382 
1 1 1    3    2   21 o   84.552   0.7789  6940.87  127.815  7049.99  182.842  6836.58  178.743   85.201   1.1055   83.902   1.0975 1.299110 1.557751 
1 1 1    3    2   22 f   47.696   0.7089  2208.70   65.617  2138.69   92.033  2281.10   93.580   46.927   1.0103   48.465   0.9947 -1.537651 1.417805 
1 1 1    3    2   23 o   94.868   0.8954  8744.22  164.885  8697.06  232.428  8792.00  233.945   94.611   1.2656   95.126   1.2669 -0.5148926 1.790731 
1 1 1    3    2   24 o   90.831   0.8728  8015.57  153.872  7929.54  215.561  8104.94  219.716   90.335   1.2293   91.328   1.2394 -0.9927979 1.745596 
1 1 1    3    2   25 o   24.382   1.2665  580.015   59.752  632.772   84.429  527.076   84.574   25.499   1.7057   23.266   1.8727 2.233288 2.533047 
1 1 1    3    2   26 o   83.058   0.8509  6704.75  137.170  6590.34  192.072  6823.84  195.961   82.335   1.2017   83.781   1.2049 -1.445541 1.701773 
1 1 1    3    2   27 o   71.531   0.8147  4973.76  113.115  4886.84  158.483  5064.02  161.497   70.894   1.1516   72.168   1.1528 -1.273567 1.629476 
1 1 1    3    2   28 o   59.673   0.7896  3463.29   91.435  3533.21  131.218  3397.30  127.482   60.258   1.1218   59.089   1.1114 1.168938 1.579144 
1 1 1    3    2   29 o   10.825   2.4462  111.546   59.791  156.258   86.308   70.286   82.909   12.309   3.4652   9.3411   3.4535 2.968001 4.892313 
1 1 1    3    2   30 o   32.833   1.0415  1054.41   66.338  1046.04   92.015  1063.47   95.726   32.702   1.4495   32.965   1.4959 -0.2630692 2.083014 
1 1 1    3    2   31 o   13.992   2.3385  208.017   62.854  248.871   91.078  170.867   86.851   15.344   3.1630   12.641   3.4452 2.702984 4.676987 
1 1 1    3    2   32 o   26.893   1.3005  720.699   67.355  829.868   95.872  614.301   94.647   28.954   1.7058   24.833   1.9635 4.121384 2.600914 
1 1 1    3    2   33 o   40.836   0.9994  1647.22   79.197  1587.30  111.356  1708.55  112.659   40.076   1.4314   41.597   1.3952 -1.521072 1.998881 
1 1 1    3    2   34 o   22.506   1.5961  523.300   69.288  562.163   95.545  480.191  100.630   23.478   2.0964   21.534   2.4074 1.944235 3.192237 
1 1 1    3    3    0 o  117.021   0.8293 13293.98  188.056 13311.34  258.427 13274.44  274.172  117.102   1.1369  116.939   1.2078 0.1633835 1.658692 
1 1 1    3    3    1 o  156.770   1.1675 23969.42  336.575 23515.20  574.537 24206.75  415.298  155.628   1.9018  157.912   1.3548 -2.283951 2.335023 
1 1 1    3    3    2 o  240.877   1.5435 56307.13  707.251 56455.45  1118.42 56208.30  912.973  241.135   2.3893  240.620   1.9546 0.5145111 3.086987 
1 1 1    3    3    3 f  128.094   0.8289 15911.40  205.669 16151.92  301.767 15702.76  281.057  128.997   1.2051  127.191   1.1383 1.805748 1.657742 
1 1 1    3    3    4 o  318.640   1.5485 98397.98  901.085 98058.42  1100.36 99089.26  1570.01  317.822   1.7836  319.458   2.5318 -1.635712 3.096915 
1 1 1    3    3    5 o  171.396   0.9316 28516.32  309.964 28482.51  438.207 28550.18  438.504  171.294   1.3179  171.498   1.3172 -0.2033844 1.863268 
1 1 1    3    3    6 o  360.173   1.3108 125959.30  916.468 125823.70  1294.87 126095.40  1297.29  359.979   1.8530  360.367   1.8545 -0.3882141 2.621631 
1 1 1    3    3    7 o  115.906   0.8362 13052.65  185.334 13103.55  242.376 12980.99  287.588  116.180   1.0747  115.631   1.2812 0.5495529 1.672300 
1 1 1    3    3    8 o  263.296   1.1427 67257.64  582.498 66598.88  793.427 68027.84  857.898  261.902   1.5606  264.690   1.6697 -2.787964 2.285484 
1 1 1    3    3    9 o  132.652   0.8367 17082.29  215.458 17036.56  305.454 17127.57  303.958  132.475   1.1878  132.829   1.1788 -0.3535461 1.673489 
1 1 1    3    3   10 o  258.201   1.1566 64739.44  578.485 64437.87  844.836 65005.65  793.753  257.633   1.6893  258.770   1.5802 -1.136383 2.313156 
1 1 1    3    3   11 o  287.960   1.2333 80468.40  685.015 80758.10  1029.06 80237.88  917.944  288.422   1.8380  287.498   1.6448 0.9243164 2.466517 
1 1 1    3    3   12 o  119.731   0.8270 13915.22  192.214 13908.35  271.748 13922.10  271.915  119.701   1.1695  119.761   1.1696 -0.5915070E-01 1.654028 
1 1 1    3    3   13 o  342.653   1.4516 114051.30  964.688 112542.20  1388.94 115457.90  1340.88  340.459   2.1016  344.846   2.0031 -4.387451 2.903296 
1 1 1    3    3   14 o  269.625   1.1745 70576.29  614.701 70408.94  866.892 70745.53  871.765  269.304   1.6583  269.947   1.6636 -0.6427307 2.348946 
1 1 1    3    3   15 o  246.875   1.4396 59178.34  689.875 58812.75  975.118 59544.69  976.145  246.111   2.0411  247.638   2.0306 -1.527222 2.879148 
1 1 1    3    3   16 o  117.888   0.8529 13491.33  195.179 13401.66  275.472 13581.72  276.580  117.495   1.2078  118.282   1.2046 -0.7867126 1.705817 
1 1 1    3    3   17 o   59.139   0.6369  3394.20   73.110  3460.73  104.403  3330.19  102.411   59.708   0.9008   58.571   0.9007 1.136864 1.273868 
1 1 1    3    3   18 o   89.559   0.7606  7787.29  132.221  7902.80  187.097  7672.05  186.880   90.222   1.0683   88.895   1.0830 1.327293 1.521210 
1 1 1    3    3   19 o   74.093   0.7091  5328.28  101.972  5169.77  142.925  5492.62  145.530   72.971   1.0090   75.215   0.9967 -2.244240 1.418298 
1 1 1    3    3   20 o   66.224   0.6774  4256.53   87.037  4077.55  121.858  4442.94  124.359   64.803   0.9687   67.645   0.9471 -2.841774 1.354737 
1 1 1    3    3   21 o   62.570   0.6933  3796.15   84.150  3976.10  121.667  3631.13  116.511   63.989   0.9795   61.151   0.9815 2.838917 1.386647 
1 1 1    3    3   22 o   93.227   0.8413  8439.69  152.230  8264.71  212.851  8622.93  217.805   92.238   1.1888   94.216   1.1909 -1.977608 1.682690 
1 1 1    3    3   23 o   61.252   0.7357  3644.15   87.472  3626.64  124.068  3661.46  123.344   61.105   1.0460   61.398   1.0349 -0.2931099 1.471408 
1 1 1    3    3   24 o   41.713   0.8040  1690.34   65.087  1737.28   92.522  1644.36   91.580   42.287   1.1271   41.140   1.1468 1.147091 1.607947 
1 1 1    3    3   25 o   48.632   0.7760  2296.96   73.243  2240.83  102.299  2355.99  104.912   48.023   1.0974   49.241   1.0976 -1.218430 1.552078 
1 1 1    3    3   26 o   38.413   0.9296  1436.16   69.248  1366.26   98.209  1505.27   97.656   37.481   1.3498   39.345   1.2786 -1.864742 1.859268 
1 1 1    3    3   27 o  120.365   1.1000 14107.10  257.014 14001.76  362.043 14214.12  364.919  119.912   1.5554  120.818   1.5560 -0.9057617 2.200042 
1 1 1    3    3   28 o   50.294   0.8231  2461.69   80.347  2413.02  113.131  2511.21  114.131   49.791   1.1705   50.796   1.1575 -1.004513 1.646126 
1 1 1    3    3   29 o   21.328   1.5317  447.266   63.413  450.551   90.093  444.040   89.270   21.405   2.1683   21.250   2.1641 0.1546898 3.063421 
1 1 1    3    3   30 o   35.044   1.0044  1205.38   68.058  1301.93   95.089  1103.96   97.451   36.502   1.3420   33.586   1.4948 2.916527 2.008779 
1 1 1    3    3   31 o   28.347   1.1992  792.417   65.983  799.695   93.787  785.283   92.850   28.475   1.6967   28.218   1.6951 0.2573357 2.398344 
1 1 1    3    3   32 o   39.104   0.9719  1504.48   73.717  1565.09  103.884  1443.00  104.623   39.910   1.3409   38.298   1.4073 1.611931 1.943853 
1 1 1    3    3   33 o   33.556   1.1203  1117.04   72.593  971.477  100.897  1273.24  104.522   31.253   1.6631   35.859   1.5015 -4.606358 2.240659 
1 1 1    3    3   34 o   13.249   2.5726  202.859   69.424  156.610   97.165  251.091   99.227   11.683   3.7665   14.815   3.5051 -3.132003 5.145146 
1 1 1    3    4    0 o  204.347   1.3467 40532.20  534.114 39810.76  748.404 41281.04  762.495  202.495   1.9040  206.200   1.9049 -3.705322 2.693304 
1 1 1    3    4    1 o   45.840   1.1265  1942.18   46.109  2152.55  199.753  1930.34   47.389   47.085   2.1855   44.596   0.5474 2.489243 2.252985 
1 1 1    3    4    2 o  165.316   0.9820 26528.35  315.138 26526.21  445.193 26530.49  446.152  165.309   1.3874  165.322   1.3902 -0.1329041E-01 1.964046 
1 1 1    3    4    3 o  595.133   1.9647 344031.00  2226.56 344597.81  2882.66 343192.81  3505.64  595.763   2.4926  594.503   3.0377 1.259216 3.929490 
1 1 1    3    4    4 o  235.776   1.2654 54149.27  566.209 53081.32  896.477 54858.00  730.309  233.830   1.9750  237.721   1.5826 -3.891464 2.530887 
1 1 1    3    4    5 o  108.263   0.7304 11375.30  153.471 11123.72  215.710 11633.18  218.395  107.051   1.0380  109.475   1.0277 -2.424057 1.460716 
1 1 1    3    4    6 f  268.840   1.1642 70173.19  607.538 70020.70  858.347 70326.28  860.032  268.547   1.6466  269.132   1.6462 -0.5853577 2.328335 
1 1 1    3    4    7 o   68.635   0.5510  4572.62   73.411  4582.02  104.102  4563.33  103.537   68.705   0.7806   68.565   0.7779 0.1402893 1.102005 
1 1 1    3    4    8 o  321.865   1.3063 100598.60  816.186 100316.10  1151.51 100883.80  1157.03  321.411   1.8456  322.319   1.8492 -0.9078369 2.612665 
1 1 1    3    4    9 o  119.805   0.7980 13929.88  185.560 14177.20  264.797 13691.23  260.110  120.849   1.1288  118.760   1.1283 2.089317 1.595980 
1 1 1    3    4   10 o  265.814   1.1264 68582.45  581.144 69346.15  828.836 67843.92  815.061  267.269   1.5975  264.359   1.5883 2.910431 2.252742 
1 1 1    3    4   11 o  215.714   1.1097 45183.95  462.766 45026.26  685.780 45315.79  627.056  215.367   1.6404  216.061   1.4951 -0.6944275 2.219475 
1 1 1    3    4   12 o  142.786   0.8842 19789.82  245.072 19692.57  345.647 19888.14  347.530  142.433   1.2501  143.138   1.2508 -0.7054749 1.768396 
1 1 1    3    4   13 o  514.887   1.5310 257370.80  1529.93 259209.00  2187.24 255609.80  2140.80  516.685   2.1807  513.088   2.1494 3.596985 3.061963 
1 1 1    3    4   14 o  354.514   1.5449 122282.00  1055.03 119984.00  1585.48 124108.20  1413.39  351.509   2.3236  357.520   2.0366 -6.010712 3.089761 
1 1 1    3    4   15 o  267.681   1.2470 69628.07  645.328 70269.12  876.352 68868.66  953.825  269.032   1.6781  266.330   1.8449 2.702118 2.493937 
1 1 1    3    4   16 o  132.653   0.9784 17088.73  251.626 16982.25  364.471 17185.71  347.820  132.257   1.4196  133.049   1.3467 -0.7917175 1.956792 
1 1 1    3    4   17 o  260.016   1.1995 65641.69  605.357 66800.33  864.479 64526.88  847.968  262.266   1.6980  257.765   1.6947 4.501221 2.399022 
1 1 1    3    4   18 o  168.333   1.0979 27518.15  358.732 27506.43  508.692 27529.74  505.967  168.297   1.5571  168.368   1.5481 -0.7186890E-01 2.195705 
1 1 1    3    4   19 o   86.912   0.7600  7334.55  128.208  7496.41  181.562  7173.57  181.066   87.868   1.0645   85.955   1.0852 1.913498 1.520090 
1 1 1    3    4   20 o  148.573   1.1957 21450.49  344.839 21460.56  489.419 21440.58  485.950  148.607   1.6966  148.539   1.6853 0.6800842E-01 2.391399 
1 1 1    3    4   21 o   50.984   0.6699  2524.42   66.282  2495.16   94.312  2552.98   93.171   50.691   0.9585   51.276   0.9361 -0.5844498 1.339717 
1 1 1    3    4   22 f   73.822   0.7289  5292.68  104.443  5280.19  147.063  5305.39  148.356   73.734   1.0275   73.910   1.0340 -0.1754227 1.457717 
1 1 1    3    4   23 o   92.521   0.8630  8312.88  154.960  8149.01  216.295  8485.69  222.112   91.585   1.2166   93.457   1.2243 -1.872185 1.726023 
1 1 1    3    4   24 o   89.458   0.8664  7773.86  150.426  7634.88  210.411  7919.14  215.135   88.641   1.2228   90.275   1.2277 -1.634613 1.732772 
1 1 1    3    4   25 o   55.267   0.7587  2965.28   81.361  2888.95  112.924  3047.67  117.325   54.529   1.0668   56.006   1.0792 -1.477226 1.517480 
1 1 1    3    4   26 o  109.559   1.0186 11677.18  216.622 11660.10  306.558 11694.21  306.143  109.479   1.4425  109.640   1.4384 -0.1607361 2.037133 
1 1 1    3    4   27 o   51.006   0.8136  2530.37   80.524  2607.30  113.772  2453.15  113.986   51.784   1.1318   50.227   1.1691 1.557053 1.627191 
1 1 1    3    4   28 o   37.346   0.9720  1359.01   70.458  1381.71   99.767  1336.42   99.519   37.658   1.3648   37.034   1.3843 0.6242638 1.943973 
1 1 1    3    4   29 o   20.133   1.6085  398.917   62.842  389.244   87.533  409.204   90.273   19.882   2.2680   20.384   2.2814 -0.5016441 3.216963 
1 1 1    3    4   30 o   23.514   1.4317  545.078   65.339  555.029   92.225  535.049   92.582   23.734   2.0018   23.295   2.0474 0.4391556 2.863380 
1 1 1    3    4   31 o   18.925   1.8579  372.136   64.336  271.752   91.217  471.505   90.755   16.091   3.0315   21.758   2.1487 -5.666794 3.715752 
1 1 1    3    4   32 o   32.964   1.0926  1074.88   69.707  1158.16   97.941  989.379   99.233   34.287   1.4715   31.642   1.6156 2.644749 2.185291 
1 1 1    3    4   33 o   17.804   2.0234  339.265   66.537  417.093   93.497  259.402   94.711   20.221   2.3820   15.388   3.2715 4.832811 4.046757 
1 1 1    3    4   34 o   26.722   1.4115  724.423   72.996  651.394  101.357  803.116  105.214   25.282   2.0652   28.161   1.9247 -2.878609 2.823058 
1 1 1    3    5    0 o  167.439   1.1838 27222.51  381.757 27171.80  576.770 27262.04  509.279  167.299   1.7760  167.580   1.5656 -0.2818451 2.367522 
1 1 1    3    5    1 o  231.155   1.3723 51873.43  615.776 51963.39  869.470 51782.89  872.215  231.357   1.9360  230.954   1.9455 0.4024200 2.744656 
1 1 1    3    5    2 o  100.474   0.7378  9781.81  143.558  9567.83  195.481 10032.33  211.509   99.284   1.0143  101.665   1.0717 -2.381165 1.475609 
1 1 1    3    5    3 o  694.476   1.8984 468281.00  2559.22 467707.41  3605.45 468863.50  3633.28  694.048   2.6761  694.904   2.6934 -0.8554688 3.796873 
1 1 1    3    5    4 o  282.540   1.3362 77570.89  726.234 76960.77  1101.46 78040.13  965.933  281.552   2.0153  283.528   1.7550 -1.976776 2.672393 
1 1 1    3    5    5 o  145.387   0.8570 20517.81  241.850 20649.96  342.685 20386.67  341.374  145.853   1.2104  144.920   1.2135 0.9328308 1.713922 
1 1 1    3    5    6 o   86.538   0.6412  7269.33  107.718  7265.45  152.335  7273.20  152.338   86.514   0.9071   86.561   0.9066 -0.4615784E-01 1.282477 
1 1 1    3    5    7 o  190.579   0.9785 35262.84  361.973 35027.13  510.225 35501.68  513.605  189.938   1.3838  191.221   1.3837 -1.282333 1.956913 
1 1 1    3    5    8 f  215.900   1.0324 45254.99  432.680 45412.63  613.881 45099.37  609.941  216.274   1.4622  215.527   1.4579 0.7470245 2.064829 
1 1 1    3    5    9 f  111.932   0.8419 12116.95  179.482 11934.03  231.521 12392.45  284.134  110.879   1.0757  112.985   1.2955 -2.106186 1.683860 
1 1 1    3    5   10 f  246.807   1.1026 59132.67  528.260 58972.39  745.827 59294.03  748.325  246.471   1.5589  247.142   1.5598 -0.6711884 2.205249 
1 1 1    3    5   11 o  228.813   1.2190 50814.28  529.377 50875.39  842.483 50774.41  680.497  228.922   1.8959  228.703   1.5328 0.2183533 2.437998 
1 1 1    3    5   12 o  184.376   1.0778 33046.92  383.534 32552.69  571.822 33451.08  517.096  183.120   1.6086  185.633   1.4350 -2.513199 2.155678 
1 1 1    3    5   13 o  215.661   1.3571 45378.49  553.057 46161.39  708.730 44159.37  884.406  218.059   1.6743  213.263   2.1363 4.795868 2.714287 
1 1 1    3    5   14 o  301.443   1.2952 88238.25  753.571 88081.66  1127.03 88364.88  1013.42  301.196   1.9276  301.690   1.7305 -0.4940186 2.590412 
1 1 1    3    5   15 o  131.439   0.9980 16770.51  254.625 16870.47  362.341 16672.99  357.887  131.826   1.4160  131.053   1.4068 0.7736511 1.996011 
1 1 1    3    5   16 o  139.380   0.9268 18855.99  250.741 19175.23  357.547 18547.06  351.727  140.540   1.3106  138.219   1.3109 2.321167 1.853683 
1 1 1    3    5   17 o  210.154   1.1179 42888.13  456.055 43108.56  646.067 42669.20  643.856  210.692   1.5797  209.616   1.5823 1.076645 2.235872 
1 1 1    3    5   18 o  166.430   1.1355 26873.51  365.880 27263.77  538.892 26539.76  498.349  167.546   1.6569  165.313   1.5530 2.233139 2.270919 
1 1 1    3    5   19 o   49.245   0.6532  2354.43   62.444  2347.43   88.601  2361.33   88.019   49.172   0.9282   49.318   0.9194 -0.1455536 1.306494 
1 1 1    3    5   20 o  157.829   1.0880 24202.13  333.319 24340.16  471.011 24063.67  471.759  158.281   1.5330  157.378   1.5442 0.9027252 2.175934 
1 1 1    3    5   21 o   76.357   0.7465  5661.21  110.633  5709.51  157.908  5614.65  155.048   76.676   1.0609   76.037   1.0504 0.6392212 1.492973 
1 1 1    3    5   22 o  122.594   1.0422 14597.55  247.932 14988.80  356.065 14229.31  345.434  124.188   1.4770  121.001   1.4707 3.186562 2.084321 
1 1 1    3    5   23 o  102.224   0.9510 10151.54  188.684 10366.46  269.529  9945.00  264.230  103.285   1.3443  101.163   1.3455 2.121437 1.902010 
1 1 1    3    5   24 o   61.258   0.7471  3643.62   88.808  3586.00  123.599  3705.12  127.687   60.758   1.0480   61.758   1.0651 -1.000065 1.494213 
1 1 1    3    5   25 o   28.787   1.0728  805.984   59.948  800.475   84.559  811.551   85.001   28.688   1.5185   28.886   1.5159 -0.1979027 2.145628 
1 1 1    3    5   26 o   49.649   0.8114  2396.04   78.189  2399.05  109.698  2392.93  111.474   49.681   1.1375   49.616   1.1574 0.6466293E-01 1.622791 
1 1 1    3    5   27 o   72.960   0.8154  5174.24  115.463  5059.44  161.504  5294.27  165.135   72.133   1.1534   73.788   1.1529 -1.655045 1.630802 
1 1 1    3    5   28 o   25.833   1.2628  654.344   63.044  718.773   88.676  588.494   89.649   27.133   1.6836   24.533   1.8825 2.599808 2.525512 
1 1 1    3    5   29 o   88.588   0.8938  7652.14  153.685  7725.08  216.991  7578.73  217.698   89.014   1.2558   88.161   1.2721 0.8523407 1.787507 
1 1 1    3    5   30 o   51.601   0.8200  2597.53   82.135  2613.28  116.919  2582.20  115.408   51.754   1.1638   51.447   1.1556 0.3068161 1.640066 
1 1 1    3    5   31 o   33.397   1.0411  1096.02   67.493  1103.76   95.442  1088.27   95.457   33.516   1.4670   33.277   1.4777 0.2388763 2.082241 
1 1 1    3    5   32 o   18.312   1.9220  349.411   65.392  422.456   92.654  276.918   92.303   20.476   2.3311   16.148   3.0566 4.327761 3.844024 
1 1 1    3    5   33 o   12.501   2.5783  174.413   66.487  189.954   95.999  160.086   92.171   13.001   3.6527   12.000   3.6398 1.001678 5.156539 
1 1 1    3    5   34 o   18.942   2.0755  395.312   71.640  502.938  100.541  284.314  102.105   22.057   2.3482   15.827   3.4229 6.229265 4.150962 
1 1 1    3    6    0 o  603.388   2.6596 353396.81  2923.23 352898.91  3562.82 354422.31  5113.47  602.824   3.0447  603.953   4.3616 -1.128601 5.319175 
1 1 1    3    6    1 o  167.770   1.0463 27327.75  339.130 27382.19  458.073 27261.72  504.484  167.955   1.4050  167.584   1.5508 0.3717499 2.092590 
1 1 1    3    6    2 o  339.699   1.4647 112024.00  965.826 111952.40  1362.68 112096.30  1369.11  339.590   2.0672  339.808   2.0756 -0.2177734 2.929368 
1 1 1    3    6    3 o  292.451   1.4314 83027.09  812.597 82562.38  1142.92 83502.16  1155.56  291.624   2.0190  293.279   2.0298 -1.654694 2.862888 
1 1 1    3    6    4 o  271.432   1.3620 71477.10  714.894 72086.96  1060.54 70969.20  967.832  272.489   2.0050  270.374   1.8440 2.114929 2.724057 
1 1 1    3    6    5 f   16.443   0.5998  262.517   19.136  271.634   27.051  253.384   27.075   16.729   0.8330   16.157   0.8633 0.5717506 1.199642 
1 1 1    3    6    6 o  293.388   1.2191 83588.41  693.153 83501.19  1009.73 83666.16  953.244  293.239   1.7738  293.536   1.6729 -0.2975159 2.438282 
1 1 1    3    6    7 o  264.952   1.1351 68173.13  582.776 68306.68  800.917 68022.85  849.572  265.232   1.5556  264.673   1.6536 0.5586548 2.270288 
1 1 1    3    6    8 o  186.359   0.9794 33716.59  354.311 33468.45  499.785 33967.29  502.368  185.669   1.3867  187.048   1.3836 -1.378677 1.958874 
1 1 1    3    6    9 o  201.043   1.0165 39230.27  396.660 39843.14  565.636 38637.25  556.402  202.587   1.4383  199.498   1.4368 3.089249 2.033000 
1 1 1    3    6   10 o  349.828   1.2098 118830.00  821.362 117417.40  1169.73 120203.90  1153.60  347.776   1.7327  351.880   1.6889 -4.104431 2.419606 
1 1 1    3    6   11 o  252.098   1.1219 61694.23  549.016 61584.15  776.858 61804.06  775.995  251.873   1.5889  252.323   1.5843 -0.4494171 2.243786 
1 1 1    3    6   12 o  110.674   0.8189 11908.18  175.462 11603.96  255.737 12178.76  241.184  109.336   1.2049  112.012   1.1092 -2.676147 1.637762 
1 1 1    3    6   13 o  219.444   1.1399 46721.91  483.345 47025.53  720.064 46472.92  652.086  220.090   1.6854  218.797   1.5353 1.292786 2.279871 
1 1 1    3    6   14 o  132.580   1.0169 17058.08  257.529 17031.40  335.415 17096.39  401.949  132.456   1.3045  132.704   1.5603 -0.2478333 2.033819 
1 1 1    3    6   15 o  202.865   1.0870 39953.90  428.066 40033.59  605.242 39874.13  605.510  203.067   1.5354  202.662   1.5392 0.4049530 2.174050 
1 1 1    3    6   16 o   96.295   0.7686  9003.41  143.642  8885.84  204.502  9117.91  201.807   95.674   1.1011   96.916   1.0727 -1.241722 1.537256 
1 1 1    3    6   17 o  197.384   1.0923 37834.13  418.531 37787.72  590.554 37880.96  593.241  197.263   1.5422  197.505   1.5473 -0.2428894 2.184663 
1 1 1    3    6   18 o  160.387   1.0717 24979.93  333.644 24831.79  469.910 25130.53  473.801  159.908   1.5138  160.866   1.5173 -0.9588013 2.143327 
1 1 1    3    6   19 o   91.262   0.7636  8084.62  135.257  8211.93  193.478  7962.92  189.159   91.965   1.0838   90.560   1.0760 1.404816 1.527237 
1 1 1    3    6   20 o  127.880   0.9429 15893.24  233.916 15563.25  334.637 16208.54  327.106  126.579   1.3619  129.180   1.3044 -2.601723 1.885836 
1 1 1    3    6   21 o   90.291   0.7971  7917.33  139.699  7964.50  198.288  7870.83  196.850   90.558   1.1280   90.024   1.1264 0.5340271 1.594128 
1 1 1    3    6   22 o   48.790   1.0082  2311.67   95.296  2337.69  139.623  2288.97  130.388   49.045   1.4666   48.534   1.3840 0.5103607 2.016470 
1 1 1    3    6   23 o  107.487   0.9609 11225.74  200.457 11320.62  286.433 11134.66  280.634  107.931   1.3671  107.042   1.3506 0.8885269 1.921749 
1 1 1    3    6   24 o   99.375   0.9355  9597.89  180.453  9637.90  256.040  9558.41  254.367   99.580   1.3246   99.169   1.3214 0.4111786 1.870941 
1 1 1    3    6   25 o   38.715   1.0766  1454.93   76.196  1466.77  132.507  1449.09   93.134   38.819   1.7584   38.612   1.2426 0.2071304 2.153168 
1 1 1    3    6   26 o   36.037   0.9894  1263.28   69.178  1312.52   98.222  1214.81   97.447   36.735   1.3774   35.339   1.4205 1.396099 1.978702 
1 1 1    3    6   27 f  133.739   1.2033 17414.14  312.241 17977.13  450.451 16893.44  433.205  135.815   1.7086  131.663   1.6950 4.152893 2.406696 
1 1 1    3    6   28 o   30.032   1.1107  879.690   64.720  888.021   93.117  871.905   90.019   30.167   1.5901   29.896   1.5511 0.2711487 2.221364 
1 1 1    3    6   29 o   77.859   0.8506  5908.81  128.551  5950.50  181.200  5866.57  182.404   78.138   1.1946   77.580   1.2112 0.5575104 1.701223 
1 1 1    3    6   30 o   35.780   1.0038  1252.86   69.635  1243.69  100.771  1261.23   96.335   35.648   1.4562   35.913   1.3819 -0.2653961 2.007540 
1 1 1    3    6   31 o   45.330   0.8838  2012.57   77.769  2008.80  109.817  2016.37  110.147   45.288   1.2492   45.372   1.2506 -0.8473969E-01 1.767603 
1 1 1    3    6   32 o   14.845   2.2365  243.920   65.073  350.943   90.209  127.813   93.959   18.606   2.4976   11.083   3.7108 7.522897 4.473073 
1 1 1    3    6   33 o   19.945   1.7856  410.987   68.636  368.835   99.019  449.971   95.225   18.874   2.7026   21.015   2.3343 -2.140471 3.571146 
1 1 1    3    6   34 o   31.240   1.2479  982.480   75.614  981.165  109.077  983.696  104.912   31.197   1.8012   31.284   1.7276 -0.8688927E-01 2.495766 
1 1 1    3    7    0 o  164.201   1.0413 26161.71  330.275 26073.01  445.151 26270.33  492.602  163.892   1.3992  164.509   1.5426 -0.6172791 2.082617 
1 1 1    3    7    1 o   76.112   1.0576  5734.27  115.761  5790.03  126.935  5458.77  282.169   77.235   0.8466   74.988   1.9384 2.247360 2.115270 
1 1 1    3    7    2 o  311.440   1.4411 94162.65  871.201 94339.29  1231.21 93985.52  1232.92  311.733   2.0346  311.147   2.0413 0.5852661 2.882108 
1 1 1    3    7    3 o  201.155   1.1548 39309.93  448.341 39566.49  603.618 38994.21  669.603  201.889   1.5402  200.420   1.7211 1.469131 2.309661 
1 1 1    3    7    4 o  172.526   1.0131 28894.14  339.283 28841.25  479.100 28947.35  480.541  172.368   1.4319  172.684   1.4335 -0.3167114 2.026159 
1 1 1    3    7    5 o  311.960   1.3729 94490.12  823.118 94535.20  1255.87 94456.16  1089.84  312.017   2.0735  311.904   1.8000 0.1125183 2.745795 
1 1 1    3    7    6 o  139.839   0.8791 19004.13  238.236 18615.41  345.131 19357.94  329.261  138.471   1.2840  141.208   1.2012 -2.737076 1.758267 
1 1 1    3    7    7 o  150.526   0.8792 21993.38  256.880 21637.15  360.763 22359.73  365.858  149.289   1.2449  151.762   1.2419 -2.472382 1.758417 
1 1 1    3    7    8 o  179.594   0.9575 31308.91  333.793 30762.78  469.028 31869.38  475.140  178.007   1.3574  181.181   1.3510 -3.173615 1.915083 
1 1 1    3    7    9 o  271.613   1.1641 71634.27  612.630 71807.66  841.552 71438.78  893.567  271.965   1.5941  271.262   1.6970 0.7039185 2.328238 
1 1 1    3    7   10 o  253.934   1.1756 62457.61  575.830 63812.71  868.682 61395.45  769.077  256.382   1.7455  251.485   1.5754 4.897705 2.351278 
1 1 1    3    7   11 o  235.463   1.0961 53812.09  500.956 53205.97  702.748 54438.32  714.311  234.115   1.5463  236.811   1.5539 -2.695587 2.192200 
1 1 1    3    7   12 o   93.901   0.7256  8554.46  132.061  8634.59  192.416  8483.09  181.580   94.316   1.0510   93.485   1.0006 0.8307343 1.451116 
1 1 1    3    7   13 o  189.387   1.1322 34860.42  409.978 34580.69  636.176 35059.09  536.161  188.733   1.7365  190.040   1.4534 -1.307846 2.264433 
1 1 1    3    7   14 o  465.766   1.6403 210559.00  1465.36 211360.50  2255.24 209973.50  1927.75  466.514   2.4904  465.018   2.1356 1.496552 3.280642 
1 1 1    3    7   15 o  246.070   1.3586 58858.40  645.890 59475.90  874.428 58116.99  958.156  247.498   1.8201  244.643   2.0176 2.854309 2.717244 
1 1 1    3    7   16 o  246.597   1.1689 59045.49  559.518 59082.97  791.745 59008.08  790.813  246.675   1.6535  246.519   1.6526 0.1563416 2.337714 
1 1 1    3    7   17 o  106.230   1.0727 10958.74  220.831 10956.13  321.846 10961.07  303.560  106.216   1.5610  106.244   1.4719 -0.2715302E-01 2.145477 
1 1 1    3    7   18 o   25.277   0.9115  619.954   44.594  625.960   65.779  614.847   60.662   25.390   1.3346   25.164   1.2418 0.2256756 1.823019 
1 1 1    3    7   19 o  134.875   1.0393 17669.20  272.095 17805.93  385.184 17533.00  384.418  135.396   1.4655  134.354   1.4740 1.042236 2.078558 
1 1 1    3    7   20 o  109.483   0.9076 11642.02  192.889 11690.26  273.519 11594.28  272.061  109.709   1.2843  109.257   1.2828 0.4511871 1.815225 
1 1 1    3    7   21 o  126.449   0.9895 15534.63  242.737 15554.47  337.804 15513.46  349.036  126.535   1.3753  126.363   1.4229 0.1710510 1.978921 
1 1 1    3    7   22 o   64.981   0.7234  4100.48   91.246  4130.66  130.120  4071.29  127.988   65.216   1.0278   64.746   1.0183 0.4700317 1.446889 
1 1 1    3    7   23 o  125.638   1.0587 15324.95  257.680 15633.17  378.069 15057.55  352.140  126.812   1.5358  124.465   1.4575 2.346672 2.117325 
1 1 1    3    7   24 o   30.549   1.0216  907.300   60.578  914.560   85.721  900.057   85.620   30.671   1.4398   30.427   1.4496 0.2445068 2.043121 
1 1 1    3    7   25 o   50.889   0.7897  2516.86   77.999  2476.81  110.657  2556.42  109.961   50.486   1.1291   51.292   1.1044 -0.8062706 1.579434 
1 1 1    3    7   26 o  147.093   1.3033 21078.55  372.118 21289.66  529.054 20871.84  523.500  147.821   1.8437  146.364   1.8425 1.457367 2.606588 
1 1 1    3    7   27 o   45.771   0.8683  2037.17   77.130  2096.55  110.102  1979.94  108.084   46.427   1.2217   45.116   1.2341 1.310593 1.736561 
1 1 1    3    7   28 o   45.936   0.8646  2054.95   77.080  2103.96  108.972  2005.87  109.043   46.486   1.2076   45.386   1.2377 1.100151 1.729209 
1 1 1    3    7   29 o   53.291   0.8297  2767.62   85.825  2760.80  121.571  2774.39  121.181   53.225   1.1767   53.357   1.1700 -0.1320343 1.659336 
1 1 1    3    7   30 o   16.041   2.0959  266.032   62.818  263.781   90.403  268.133   87.353   15.954   3.0299   16.128   2.8967 -0.1742754 4.191799 
1 1 1    3    7   31 o   54.090   0.8165  2859.40   85.676  2938.89  123.939  2786.64  118.568   54.806   1.1650   53.375   1.1444 1.431015 1.633013 
1 1 1    3    7   32 f   12.135   2.5306  159.445   64.526  127.573   91.164  191.443   91.343   11.041   3.6539   13.229   3.5021 -2.187888 5.061150 
1 1 1    3    7   33 o   24.722   1.4343  616.859   68.691  587.318   98.586  644.731   95.762   24.110   2.1065   25.333   1.9473 -1.223583 2.868677 
1 1 1    3    7   34 o   9.1604   2.5288   65.530   68.864   2.7987  101.063  119.900   94.087   7.8304   3.4423   10.490   3.7054 -2.660058 5.057580 
1 1 1    3    8    0 o  338.910   1.4598 111498.40  960.338 112282.80  1364.91 110729.50  1351.43  340.090   2.0675  337.730   2.0614 2.360260 2.919571 
1 1 1    3    8    1 o  226.062   1.3093 49654.90  571.687 49149.36  849.941 50072.59  772.561  225.009   1.9459  227.116   1.7523 -2.107666 2.618646 
1 1 1    3    8    2 o   89.764   0.6730  7820.03  117.264  7719.87  164.780  7922.81  166.913   89.182   0.9518   90.346   0.9517 -1.164574 1.346026 
1 1 1    3    8    3 o  150.461   0.9584 21975.36  279.923 22165.86  396.527 21786.12  395.218  151.111   1.3518  149.811   1.3590 1.300110 1.916845 
1 1 1    3    8    4 o  315.930   1.4639 96888.50  897.598 95795.56  1255.48 98031.28  1283.78  314.108   2.0590  317.751   2.0813 -3.643005 2.927724 
1 1 1    3    8    5 o  254.095   1.2462 62678.48  612.509 62545.64  831.460 62836.10  905.736  253.805   1.6876  254.385   1.8342 -0.5801392 2.492453 
1 1 1    3    8    6 o   47.032   0.4279  2147.32   39.061  2130.99   55.569  2163.26   54.917   46.855   0.6110   47.209   0.5993 -0.3534698 0.8557921 
1 1 1    3    8    7 o  134.273   0.8696 17490.20  226.126 17681.46  332.326 17325.30  308.576  134.955   1.2686  133.591   1.1899 1.364166 1.739297 
1 1 1    3    8    8 o  305.441   1.1897 90582.02  704.404 90519.41  970.562 90651.70  1023.93  305.332   1.6375  305.549   1.7263 -0.2167358 2.379431 
1 1 1    3    8    9 o   63.383   0.5406  3899.68   66.509  3832.47   94.051  3966.90   94.063   62.836   0.7711   63.929   0.7580 -1.092606 1.081236 
1 1 1    3    8   10 o  115.230   0.8745 12940.08  192.970 13217.21  254.418 12564.71  296.103  116.690   1.1232  113.771   1.3407 2.918900 1.749037 
1 1 1    3    8   11 o   34.597   0.4965  1158.35   33.288  1220.37   48.855  1104.60   45.478   35.459   0.7098   33.735   0.6945 1.723766 0.9930166 
1 1 1    3    8   12 o  219.155   1.2065 46560.77  502.871 46300.52  648.214 46954.13  796.939  218.392   1.5290  219.918   1.8668 -1.526428 2.413068 
1 1 1    3    8   13 o  188.867   1.0284 34627.51  377.053 34660.43  532.878 34594.50  533.591  188.957   1.4528  188.777   1.4561 0.1798706 2.056898 
1 1 1    3    8   14 o  295.025   1.3898 84741.59  775.589 83474.39  1240.77 85554.26  993.639  293.198   2.1800  296.853   1.7243 -3.655457 2.779553 
1 1 1    3    8   15 o  276.519   1.2066 74220.20  647.583 75344.59  925.950 73143.69  906.017  278.568   1.7123  274.470   1.7005 4.098114 2.413256 
1 1 1    3    8   16 o  120.715   0.9025 14159.65  210.770 13990.17  310.186 14305.03  287.278  120.042   1.3311  121.388   1.2192 -1.346001 1.805071 
1 1 1    3    8   17 o  170.654   1.1797 28279.38  390.770 28641.92  557.448 27929.10  547.938  171.729   1.6722  169.579   1.6645 2.149887 2.359460 
1 1 1    3    8   18 o   46.648   0.6414  2112.64   58.075  2094.25   82.469  2130.72   81.795   46.446   0.9147   46.849   0.8994 -0.4028664 1.282807 
1 1 1    3    8   19 o  129.680   0.9345 16335.51  235.010 16407.04  325.733 16257.85  339.395  129.978   1.2910  129.382   1.3513 0.5959320 1.868913 
1 1 1    3    8   20 o   57.183   0.7965  3207.38   84.382  3066.37  140.802  3286.40  105.409   56.187   1.2909   58.178   0.9334 -1.991062 1.593014 
1 1 1    3    8   21 o   69.934   0.8543  4731.02  110.857  4685.37  137.504  4815.80  187.374   69.461   1.0198   70.407   1.3710 -0.9456253 1.708660 
1 1 1    3    8   22 o  118.226   0.9733 13582.08  223.377 13578.71  315.842 13585.45  315.964  118.212   1.3764  118.241   1.3766 -0.2934265E-01 1.946658 
1 1 1    3    8   23 o  128.826   1.0595 16126.44  264.903 16473.08  379.173 15795.94  370.246  130.177   1.5005  127.474   1.4962 2.703026 2.119025 
1 1 1    3    8   24 o  107.188   0.9902 11167.82  206.009 11310.63  293.219 11028.61  289.497  107.864   1.4004  106.511   1.4002 1.353203 1.980302 
1 1 1    3    8   25 o   21.573   1.4412  456.689   59.849  393.812   85.406  517.356   83.892   20.097   2.1892   23.049   1.8750 -2.951637 2.882402 
1 1 1    3    8   26 o   60.247   0.8066  3516.93   94.176  3765.03  137.703  3298.92  129.083   62.237   1.1398   58.257   1.1415 3.979836 1.613102 
1 1 1    3    8   27 o   64.917   0.9797  4115.71  116.227  4143.27  142.403  4060.72  201.155   65.275   1.1238   64.558   1.6051 0.7164917 1.959463 
1 1 1    3    8   28 o   87.278   0.8825  7418.27  149.514  7351.84  210.993  7485.28  211.901   86.885   1.2510   87.671   1.2451 -0.7863235 1.765034 
1 1 1    3    8   29 o   44.804   0.9052  1957.66   78.723  1985.42  112.210  1930.75  110.474   45.117   1.2812   44.492   1.2791 0.6250877 1.810457 
1 1 1    3    8   30 o   61.946   0.8087  3744.08   97.231  3815.53  138.549  3674.76  136.486   62.529   1.1415   61.363   1.1458 1.165585 1.617342 
1 1 1    3    8   31 o   31.000   1.0906  945.989   65.556  949.951   94.984  942.384   90.594   31.052   1.5758   30.947   1.5080 0.1046009 2.181111 
1 1 1    3    8   32 o   11.112   2.4951  123.301   64.545  194.232   93.072   57.581   89.589   13.304   3.5414   8.9211   3.5158 4.382469 4.990205 
1 1 1    3    8   33 o   14.626   2.3499  233.808   68.503  330.704   98.913  144.497   94.963   17.789   2.8644   11.462   3.7262 6.326972 4.699898 
1 1 1    3    8   34 o   10.987   2.9350  108.034   81.993   62.062   99.470  205.484  144.825   9.0145   3.6529   12.959   4.5950 -3.944093 5.870048 
1 1 1    3    9    0 o   81.279   0.6249  6409.80   98.570  6553.95  141.010  6272.05  137.842   82.172   0.8840   80.386   0.8834 1.786598 1.249729 
1 1 1    3    9    1 o  324.623   1.4532 102306.40  915.727 102610.70  1295.69 102002.70  1294.38  325.105   2.0531  324.141   2.0571 0.9647522 2.906382 
1 1 1    3    9    2 o  190.295   1.0490 35151.41  387.488 35009.17  545.943 35295.80  550.061  189.907   1.4810  190.683   1.4861 -0.7757568 2.097992 
1 1 1    3    9    3 o  168.442   1.0147 27541.38  331.789 27338.16  467.460 27747.70  471.002  167.816   1.4350  169.068   1.4351 -1.252335 2.029484 
1 1 1    3    9    4 o  195.200   1.0787 36988.44  408.741 36704.19  575.209 37278.36  580.928  194.443   1.5239  195.957   1.5272 -1.514862 2.157485 
1 1 1    3    9    5 o   88.167   0.6731  7543.52  115.183  7401.75  161.264  7691.17  164.572   87.321   0.9514   89.012   0.9525 -1.690826 1.346211 
1 1 1    3    9    6 o   41.807   0.4926  1717.46   37.782  1631.63   64.256  1762.82   46.709   40.999   0.8074   42.616   0.5646 -1.617584 0.9852258 
1 1 1    3    9    7 o   95.282   0.7058  8816.81  130.465  8679.10  186.930  8947.60  182.173   94.556   1.0184   96.008   0.9775 -1.452042 1.411619 
1 1 1    3    9    8 o  406.350   1.3337 160291.30  1050.75 161205.09  1525.74 159466.80  1449.19  407.447   1.9291  405.252   1.8422 2.194458 2.667383 
1 1 1    3    9    9 o  116.767   0.7904 13235.12  179.165 13194.55  253.684 13275.49  253.072  116.589   1.1209  116.946   1.1148 -0.3570862 1.580887 
1 1 1    3    9   10 o  221.561   1.1089 47601.85  474.917 48198.29  706.833 47111.00  641.218  222.823   1.6341  220.299   1.4994 2.524612 2.217826 
1 1 1    3    9   11 o  101.238   0.7448  9945.88  146.337 10094.30  209.210  9803.71  204.765  101.978   1.0568  100.499   1.0496 1.478539 1.489501 
1 1 1    3    9   12 o   31.301   0.8053  951.265   48.912  975.426   69.020  926.890   69.325   31.700   1.1216   30.901   1.1557 0.7988224 1.610508 
1 1 1    3    9   13 o  187.135   1.1288 33960.31  403.886 33787.60  526.794 34206.61  629.085  186.562   1.4546  187.709   1.7265 -1.146576 2.257577 
1 1 1    3    9   14 o  264.173   1.2531 67764.84  639.620 67860.19  864.210 67649.34  951.144  264.382   1.6839  263.964   1.8563 0.4185486 2.506244 
1 1 1    3    9   15 o  256.608   1.6162 63889.68  792.805 64315.14  1235.59 63591.91  1033.64  257.319   2.4736  255.897   2.0808 1.422058 3.232463 
1 1 1    3    9   16 o  167.161   1.0114 27130.19  328.192 27105.81  464.966 27154.39  463.306  167.086   1.4336  167.236   1.4272 -0.1499176 2.022839 
1 1 1    3    9   17 o   76.253   0.6877  5644.58  101.789  5548.81  143.496  5741.57  144.411   75.602   0.9778   76.904   0.9674 -1.302155 1.375437 
1 1 1    3    9   18 o  139.621   1.0037 18929.90  272.022 18969.15  386.637 18891.43  382.785  139.764   1.4251  139.478   1.4138 0.2860260 2.007402 
1 1 1    3    9   19 o   95.266   0.8189  8811.15  151.412  8686.87  212.142  8940.21  216.173   94.582   1.1555   95.951   1.1606 -1.369019 1.637714 
1 1 1    3    9   20 o  110.148   0.9536 11785.40  203.882 11818.50  287.723 11752.02  288.948  110.304   1.3438  109.992   1.3533 0.3113251 1.907109 
1 1 1    3    9   21 o  123.891   0.9323 14910.46  224.204 14928.84  319.108 14892.55  315.076  123.966   1.3261  123.817   1.3109 0.1495514 1.864659 
1 1 1    3    9   22 o   82.783   0.7991  6656.01  128.412  6571.02  180.605  6742.90  182.615   82.248   1.1312   83.317   1.1291 -1.068855 1.598276 
1 1 1    3    9   23 o  107.441   0.9317 11217.26  194.297 11027.15  273.874 11409.90  275.691  106.524   1.3245  108.359   1.3107 -1.834320 1.863339 
1 1 1    3    9   24 o   96.639   0.9187  9077.33  172.333  9053.62  243.935  9100.96  243.497   96.513   1.3020   96.765   1.2963 -0.2525864 1.837315 
1 1 1    3    9   25 o   70.133   0.7853  4778.83  106.904  4690.65  150.008  4869.83  152.391   69.476   1.1123   70.791   1.1090 -1.314796 1.570656 
1 1 1    3    9   26 o   96.726   0.9345  9088.52  175.322  9356.80  254.188  8845.08  242.135   98.084   1.3350   95.368   1.3079 2.715851 1.868973 
1 1 1    3    9   27 o   61.529   0.7947  3680.10   94.885  3550.01  132.811  3815.72  135.608   60.418   1.1324   62.641   1.1152 -2.222176 1.589365 
1 1 1    3    9   28 o   25.334   1.3163  627.688   64.670  629.217   93.591  626.290   89.463   25.360   1.9012   25.309   1.8210 0.5071640E-01 2.632565 
1 1 1    3    9   29 o   67.700   0.8181  4466.26  107.493  4358.62  151.176  4576.33  152.875   66.873   1.1646   68.527   1.1492 -1.653519 1.636142 
1 1 1    3    9   30 o   53.369   0.8211  2779.07   85.043  2855.09  121.973  2707.15  118.635   54.079   1.1619   52.660   1.1606 1.419407 1.642237 
1 1 1    3    9   31 o   40.832   0.9336  1634.73   73.861  1649.39  107.972  1621.83  101.260   40.992   1.3569   40.672   1.2825 0.3195915 1.867116 
1 1 1    3    9   32 o   26.539   1.2924  693.902   66.247  777.853   99.804  627.780   88.574   27.956   1.8391   25.122   1.8163 2.833452 2.584804 
1 1 1    3    9   33 o   42.631   0.9463  1783.93   78.088  1957.78  115.430  1637.23  106.034   44.537   1.3352   40.725   1.3413 3.812012 1.892516 
1 1 1    3    9   34 o   22.452   2.4470  572.274  101.255  685.814  141.027  451.471  145.467   25.342   2.8668   19.562   3.9665 5.779228 4.894024 
1 1 1    3   10    0 o  281.700   1.4169 77032.85  774.729 76480.66  1086.74 77603.48  1104.75  280.674   1.9946  282.726   2.0129 -2.052155 2.833802 
1 1 1    3   10    1 o  146.878   0.9124 20940.41  260.146 20867.09  366.287 21015.03  369.540  146.618   1.2870  147.137   1.2938 -0.5187073 1.824899 
1 1 1    3   10    2 o  195.093   1.0721 36943.19  405.975 37550.72  577.638 36350.17  570.695  196.678   1.5130  193.508   1.5193 3.169708 2.144149 
1 1 1    3   10    3 f  135.573   0.8956 17839.76  235.678 17608.47  331.176 18077.08  335.463  134.683   1.2667  136.464   1.2664 -1.780365 1.791168 
1 1 1    3   10    4 o  143.418   0.9221 19968.04  256.711 20083.27  363.287 19853.11  362.801  143.831   1.3012  143.005   1.3069 0.8266754 1.844205 
1 1 1    3   10    5 o   62.822   0.5271  3830.12   64.268  3878.36   91.731  3783.61   90.069   63.210   0.7476   62.433   0.7432 0.7769012 1.054141 
1 1 1    3   10    6 f  143.510   0.8890 19982.17  246.965 20157.22  363.865 19832.66  336.284  144.092   1.3009  142.929   1.2120 1.162186 1.778018 
1 1 1    3   10    7 o  223.013   1.0967 48259.15  472.510 48590.48  704.455 47988.17  637.073  223.705   1.6222  222.322   1.4762 1.383575 2.193348 
1 1 1    3   10    8 o  310.996   1.3183 93835.95  788.980 94464.33  1198.89 93355.91  1047.87  311.906   1.9801  310.086   1.7408 1.820221 2.636551 
1 1 1    3   10    9 o  350.744   1.3133 119412.70  892.890 119022.40  1229.14 119848.80  1299.26  350.139   1.8084  351.348   1.9050 -1.208496 2.626646 
1 1 1    3   10   10 o  257.723   1.1860 64410.94  589.697 63875.07  789.669 65086.51  886.644  256.515   1.5859  258.931   1.7640 -2.416168 2.372061 
1 1 1    3   10   11 o   36.282   0.4963  1276.77   34.918  1297.69   50.731  1257.93   48.133   36.564   0.7147   36.000   0.6888 0.5643387 0.9926027 
1 1 1    3   10   12 o   62.360   0.5740  3773.97   69.479  3827.47   99.037  3722.13   97.498   62.795   0.8125   61.925   0.8111 0.8701515 1.148019 
1 1 1    3   10   13 o  110.304   0.8069 11809.85  172.775 11732.27  243.306 11888.78  245.390  109.938   1.1401  110.669   1.1423 -0.7308426 1.613864 
1 1 1    3   10   14 o  119.890   1.1321 13958.72  260.556 13984.67  343.987 13923.79  399.087  120.023   1.4764  119.757   1.7167 0.2657852 2.264284 
1 1 1    3   10   15 o  114.200   0.8265 12660.12  183.226 12698.41  260.092 12622.39  258.159  114.372   1.1715  114.029   1.1663 0.3427811 1.653076 
1 1 1    3   10   16 o  335.406   1.3832 109205.90  895.562 109783.20  1340.79 108740.90  1203.36  336.194   2.0545  334.618   1.8526 1.576691 2.766416 
1 1 1    3   10   17 o  120.668   0.9602 14134.54  224.890 13883.88  314.777 14395.88  321.411  119.576   1.3561  121.760   1.3598 -2.184715 1.920475 
1 1 1    3   10   18 o  109.545   0.8549 11655.19  181.689 11772.77  253.483 11530.96  260.556  110.114   1.1859  108.976   1.2317 1.138283 1.709798 
1 1 1    3   10   19 o  108.766   0.8708 11488.41  183.855 11541.26  261.444 11436.71  258.598  109.014   1.2355  108.519   1.2276 0.4944763 1.741658 
1 1 1    3   10   20 o   35.094   0.9499  1231.32   60.551  1092.80  102.979  1304.52   74.859   33.536   1.5819   36.652   1.0522 -3.116405 1.899847 
1 1 1    3   10   21 o   37.214   0.9475  1343.18   65.950  1337.15   82.751  1353.69  109.184   37.104   1.1489   37.324   1.5070 -0.2194901 1.894994 
1 1 1    3   10   22 o   83.999   0.7995  6853.24  130.289  6866.31  187.483  6841.04  181.191   84.075   1.1488   83.922   1.1122 0.1526794 1.598974 
1 1 1    3   10   23 o   65.477   0.7488  4162.05   95.115  4226.90  137.398  4102.38  131.802   65.965   1.0730   64.988   1.0448 0.9774933 1.497628 
1 1 1    3   10   24 o   43.797   0.9978  1849.68   80.651  1816.55   99.230  1914.15  138.434   43.236   1.1823   44.359   1.6077 -1.123432 1.995615 
1 1 1    3   10   25 o   24.303   1.2836  575.862   60.409  565.005   88.094  585.499   82.996   24.083   1.8844   24.522   1.7435 -0.4393463 2.567236 
1 1 1    3   10   26 o   77.752   0.8318  5877.44  125.511  5864.45  179.302  5889.92  175.751   77.666   1.1893   77.837   1.1632 -0.1713715 1.663551 
1 1 1    3   10   27 o   84.133   0.8593  6884.27  140.297  6966.08  201.404  6807.15  195.545   84.616   1.2262   83.649   1.2043 0.9672470 1.718640 
1 1 1    3   10   28 o   49.907   0.8233  2428.05   79.643  2348.70  114.550  2502.30  110.807   49.111   1.2016   50.702   1.1258 -1.590679 1.646598 
1 1 1    3   10   29 o   14.763   2.2729  225.516   63.178  239.030   92.813  213.848   86.243   15.174   3.2490   14.352   3.1793 0.8212357 4.545752 
1 1 1    3   10   30 o   17.378   1.8469  302.030   62.296  305.275   89.034  298.919   87.194   17.467   2.6259   17.290   2.5980 0.1773186 3.693863 
1 1 1    3   10   31 o   21.485   1.5638  463.503   64.834  440.422   95.463  483.263   88.330   20.946   2.3479   22.023   2.0661 -1.077574 3.127523 
1 1 1    3   10   32 o   58.804   0.8225  3391.06   93.705  3392.96  136.888  3389.40  128.543   58.801   1.1993   58.808   1.1260 -0.7263184E-02 1.645047 
1 1 1    3   10   33 o   11.185   2.5684  137.374   65.726   94.822   97.997  172.164   88.611   9.9796   3.7417   12.390   3.5193 -2.410034 5.136724 
1 1 1    3   10   34 o   19.238   2.6699  433.391   98.019  659.962  143.163  233.462  134.482   24.766   2.9779   13.710   4.4323 11.05639 5.339757 
1 1 1    3   11    0 o  344.906   1.6559 115305.70  1081.65 114596.10  1383.16 116422.80  1735.47  343.558   2.0740  346.255   2.5820 -2.697845 3.311822 
1 1 1    3   11    1 o  263.321   1.3476 67305.65  685.847 67195.39  927.260 67438.83  1019.10  263.086   1.8157  263.556   1.9920 -0.4694214 2.695286 
1 1 1    3   11    2 o  131.875   0.8650 16880.76  221.439 16743.10  311.918 17020.65  314.421  131.333   1.2235  132.417   1.2232 -1.084106 1.730088 
1 1 1    3   11    3 o  201.145   1.0929 39279.48  426.736 39448.39  604.330 39111.50  602.664  201.576   1.5444  200.714   1.5468 0.8626709 2.185832 
1 1 1    3   11    4 o  140.263   0.9056 19092.03  246.523 18730.41  344.143 19473.17  353.312  138.900   1.2764  141.627   1.2851 -2.727066 1.811259 
1 1 1    3   11    5 f  116.094   0.8125 13083.83  183.104 12981.57  257.852 13187.85  260.058  115.637   1.1487  116.552   1.1494 -0.9151154 1.625035 
1 1 1    3   11    6 o  126.875   0.8527 15623.80  209.994 15415.09  294.203 15840.56  299.829  126.011   1.2027  127.738   1.2092 -1.727028 1.705488 
1 1 1    3   11    7 o  199.550   1.0565 38657.55  407.634 38703.39  604.020 38619.22  552.396  199.656   1.5585  199.445   1.4268 0.2117004 2.112969 
1 1 1    3   11    8 o  381.662   1.4718 141500.20  1080.50 140996.50  1640.88 141885.80  1435.70  381.051   2.2183  382.272   1.9348 -1.221588 2.943517 
1 1 1    3   11    9 f  171.989   1.0928 28842.31  357.007 28086.01  562.721 29351.78  461.858  170.091   1.7043  173.888   1.3683 -3.797180 2.185598 
1 1 1    3   11   10 o  223.443   1.0758 48460.82  466.580 47946.45  656.090 48987.13  663.662  222.243   1.5208  224.642   1.5219 -2.398926 2.151517 
1 1 1    3   11   11 o  298.682   1.1889 86601.94  689.312 87142.77  978.037 86068.14  971.664  299.608   1.6817  297.755   1.6811 1.853058 2.377820 
1 1 1    3   11   12 o  205.739   1.0647 41091.02  425.235 41149.65  601.539 41032.46  601.206  205.886   1.5051  205.592   1.5064 0.2934265 2.129495 
1 1 1    3   11   13 o  404.162   1.3539 158628.70  1061.88 160119.70  1487.44 157078.91  1516.44  406.102   1.8869  402.223   1.9422 3.878418 2.707828 
1 1 1    3   11   14 o  202.803   1.0923 39917.67  429.966 39263.75  601.969 40598.75  614.348  201.108   1.5420  204.498   1.5476 -3.390182 2.184671 
1 1 1    3   11   15 o   81.791   0.7383  6483.36  117.035  6314.37  160.349  6676.02  171.209   80.652   1.0242   82.929   1.0635 -2.277023 1.476515 
1 1 1    3   11   16 f   64.184   0.9063  3984.05  112.561  4188.12  167.400  3815.65  152.073   65.678   1.3130   62.691   1.2496 2.987568 1.812620 
1 1 1    3   11   17 o  222.051   1.2129 47811.34  519.413 48568.97  783.266 47216.66  693.941  223.611   1.8045  220.492   1.6213 3.118423 2.425854 
1 1 1    3   11   18 o  104.935   0.8632 10686.48  175.556 10787.22  256.034 10597.10  241.178  105.401   1.2514  104.470   1.1893 0.9308090 1.726358 
1 1 1    3   11   19 o   77.496   0.7159  5831.21  107.694  5767.24  151.868  5895.91  152.742   77.068   1.0151   77.924   1.0098 -0.8551712 1.431829 
1 1 1    3   11   20 o  180.923   1.1354 31827.70  398.316 32246.61  552.370 31373.89  574.915  182.170   1.5620  179.676   1.6483 2.493698 2.270897 
1 1 1    3   11   21 o   59.156   0.6894  3394.04   79.099  3504.92  114.667  3293.39  109.254   60.077   0.9833   58.236   0.9664 1.840534 1.378703 
1 1 1    3   11   22 o   48.561   0.7116  2291.70   66.977  2261.59   97.037  2319.09   92.560   48.255   1.0359   48.867   0.9758 -0.6113930 1.423119 
1 1 1    3   11   23 o   77.301   0.7757  5804.68  116.403  5762.67  164.442  5846.86  164.796   77.020   1.0999   77.581   1.0943 -0.5608826 1.551498 
1 1 1    3   11   24 o  101.926   0.9518 10096.75  188.268 10232.71  269.772  9967.66  262.863  102.593   1.3546  101.258   1.3373 1.335297 1.903520 
1 1 1    3   11   25 o   28.009   1.1337  763.153   61.595  773.406   89.062  753.753   85.279   28.188   1.6277   27.830   1.5786 0.3580894 2.267416 
1 1 1    3   11   26 o   64.766   0.7949  4081.38   99.847  3947.98  142.745  4209.18  139.713   63.726   1.1539   65.806   1.0937 -2.079727 1.589899 
1 1 1    3   11   27 o   85.368   0.8666  7082.67  143.500  7298.96  208.030  6886.33  198.206   86.608   1.2374   84.128   1.2137 2.479561 1.733260 
1 1 1    3   11   28 o   59.084   0.7933  3396.55   90.865  3431.00  132.159  3365.67  125.133   59.364   1.1469   58.804   1.0962 0.5600739 1.586501 
1 1 1    3   11   29 o   31.511   1.0858  968.047   66.264  1013.02   97.766  929.834   90.122   32.181   1.5650   30.840   1.5054 1.340595 2.171520 
1 1 1    3   11   30 o   50.874   0.8217  2521.84   81.032  2637.05  118.609  2421.00  110.965   51.957   1.1760   49.791   1.1481 2.166359 1.643486 
1 1 1    3   11   31 o   36.200   0.9874  1283.18   69.199  1342.90  102.453  1233.07   93.837   36.962   1.4279   35.438   1.3641 1.524330 1.974746 
1 1 1    3   11   32 o   21.367   1.6217  470.068   65.723  406.332   99.516  519.371   87.526   19.950   2.5697   22.785   1.9789 -2.834719 3.243417 
1 1 1    3   11   33 o   9.6253   2.5749   83.648   65.745  104.514   98.886   67.118   88.014   10.250   3.7749   9.0006   3.5030 1.249516 5.149804 
1 1 1    3   12    0 o   74.527   0.7610  5394.90  109.913  5454.70  151.603  5328.65  159.584   74.963   1.0418   74.092   1.1096 0.8716278 1.522023 
1 1 1    3   12    1 o  242.322   1.2194 56996.57  571.300 56877.09  773.747 57139.80  847.108  242.046   1.6468  242.599   1.7988 -0.5526123 2.438770 
1 1 1    3   12    2 o  196.262   1.0762 37394.56  410.015 37248.37  577.766 37542.88  581.955  195.876   1.5195  196.648   1.5245 -0.7726593 2.152467 
1 1 1    3   12    3 o  342.511   1.4956 113917.00  994.167 112997.30  1390.35 114879.30  1422.11  341.098   2.0998  343.924   2.1301 -2.825653 2.991104 
1 1 1    3   12    4 o  141.831   0.9149 19528.38  251.882 19340.92  354.259 19720.03  358.203  141.143   1.2930  142.519   1.2948 -1.376526 1.829822 
1 1 1    3   12    5 o   81.582   0.6282  6459.10   99.468  6351.37  139.349  6571.01  142.028   80.889   0.8875   82.275   0.8893 -1.386734 1.256347 
1 1 1    3   12    6 o  227.716   1.1579 50348.71  511.843 50298.14  721.599 50399.92  726.134  227.602   1.6333  227.831   1.6419 -0.2296906 2.315874 
1 1 1    3   12    7 o  188.197   1.0374 34341.18  377.426 34863.42  561.646 33911.15  509.656  189.498   1.5268  186.896   1.4048 2.601746 2.074769 
1 1 1    3   12    8 o  120.248   0.8367 14038.35  193.990 14015.53  291.701 14056.44  259.757  120.160   1.2506  120.336   1.1120 -0.1769485 1.673475 
1 1 1    3   12    9 o  288.838   1.2296 80981.93  685.523 81067.41  1025.88 80912.96  921.454  288.972   1.8288  288.703   1.6442 0.2690735 2.459287 
1 1 1    3   12   10 o   94.668   0.7425  8699.05  136.455  8680.96  192.505  8717.31  193.452   94.570   1.0486   94.767   1.0516 -0.1977463 1.485091 
1 1 1    3   12   11 o  182.212   0.9953 32229.24  352.039 32288.93  499.036 32170.10  496.690  182.380   1.4096  182.044   1.4055 0.3358307 1.990594 
1 1 1    3   12   12 o  264.725   1.1599 68032.94  596.052 68067.54  841.981 67998.20  843.912  264.793   1.6381  264.658   1.6427 0.1350708 2.319823 
1 1 1    3   12   13 o  132.475   1.0042 17034.88  257.930 16998.24  355.882 17075.43  374.354  132.326   1.3855  132.625   1.4541 -0.2989044 2.008459 
1 1 1    3   12   14 o  232.509   1.1306 52483.72  510.261 52368.52  720.099 52599.90  723.147  232.253   1.5972  232.765   1.6005 -0.5123749 2.261104 
1 1 1    3   12   15 o  231.676   1.2147 52158.86  544.049 52596.27  738.359 51639.31  804.720  232.745   1.6343  230.609   1.7976 2.136002 2.429477 
1 1 1    3   12   16 o   59.361   1.5154  3709.25  104.838  3076.91  315.459  3787.77  111.156   56.256   2.8887   62.465   0.9167 -6.208824 3.030702 
1 1 1    3   12   17 o  129.575   0.9769 16316.18  245.426 15996.45  353.677 16613.14  340.847  128.348   1.4196  130.802   1.3424 -2.453918 1.953750 
1 1 1    3   12   18 o  108.906   1.0038 11574.88  206.108 11276.95  331.653 11762.35  263.078  107.750   1.5856  110.061   1.2314 -2.310577 2.007601 
1 1 1    3   12   19 o   41.401   0.6895  1667.55   55.216  1622.46   80.999  1706.69   75.470   40.877   1.0208   41.926   0.9273 -1.049068 1.379099 
1 1 1    3   12   20 o   45.373   0.6991  1999.75   61.555  1961.64   87.636  2036.86   86.478   44.945   1.0045   45.800   0.9727 -0.8543205 1.398239 
1 1 1    3   12   21 o   37.700   0.7721  1377.71   56.399  1423.23   82.767  1338.24   77.060   38.279   1.1138   37.120   1.0694 1.159523 1.544133 
1 1 1    3   12   22 o   44.866   0.7442  1956.85   64.675  1927.03   94.217  1983.43   88.939   44.541   1.0897   45.191   1.0139 -0.6493645 1.488402 
1 1 1    3   12   23 f   60.589   0.7228  3565.82   84.884  3564.14  123.387  3567.34  116.960   60.574   1.0493   60.603   0.9942 -0.2973175E-01 1.445535 
1 1 1    3   12   24 o   28.738   1.0599  805.891   58.910  763.688   85.620  843.829   81.179   28.018   1.5742   29.458   1.4196 -1.439756 2.119793 
1 1 1    3   12   25 o   28.422   1.1023  785.315   60.579  795.758   89.977  776.657   81.930   28.591   1.6212   28.252   1.4939 0.3389854 2.204529 
1 1 1    3   12   26 o   98.788   0.9450  9493.34  181.203  9477.85  257.757  9508.49  254.789   98.707   1.3452   98.869   1.3276 -0.1623306 1.889999 
1 1 1    3   12   27 o   23.335   1.4040  527.715   63.288  605.388   94.139  463.657   85.491   24.891   1.9483   21.778   2.0222 3.113350 2.808077 
1 1 1    3   12   28 o   36.341   0.9592  1282.48   67.257  1332.20  101.618  1243.72   89.720   36.958   1.4164   35.724   1.2938 1.234066 1.918358 
1 1 1    3   12   29 o   65.524   0.8003  4185.99  101.758  4077.82  144.396  4292.71  143.425   64.678   1.1501   66.370   1.1132 -1.691330 1.600627 
1 1 1    3   12   30 o   31.484   1.0776  970.468   65.649  1002.36   97.397  943.915   88.871   31.946   1.5706   31.022   1.4758 0.9239407 2.155147 
1 1 1    3   12   31 o   9.4695   2.4372   69.791   60.989  129.476   89.630   18.328   83.227   11.159   3.6196   7.7805   3.2646 3.378053 4.874335 
1 1 1    3   12   32 o   26.074   1.3121  683.442   65.314  645.271  100.226  711.618   86.110   25.365   2.0356   26.783   1.6562 -1.418573 2.624242 
1 1 1    3   12   33 o   18.765   1.8284  358.979   65.911  405.795  102.616  326.099   85.996   19.747   2.6770   17.783   2.4913 1.964705 3.656840 
1 1 1    3   13    0 o  106.021   0.8977 10839.32  175.790 10680.32  216.635 11145.86  300.798  104.893   1.0639  107.149   1.4462 -2.255920 1.795380 
1 1 1    3   13    1 o  168.451   1.1802 27545.97  372.268 27532.61  468.309 27568.90  613.579  168.403   1.4326  168.499   1.8759 -0.9561157E-01 2.360347 
1 1 1    3   13    2 o  293.202   1.3814 83565.27  784.590 84840.04  1080.15 82141.43  1141.56  295.577   1.8825  290.826   2.0221 4.750458 2.762753 
1 1 1    3   13    3 o  378.509   1.5328 139148.70  1126.01 138271.30  1575.67 140064.30  1609.72  377.292   2.1514  379.726   2.1838 -2.433838 3.065543 
1 1 1    3   13    4 o   91.397   0.6912  8109.11  122.628  8116.80  173.459  8101.42  173.385   91.441   0.9772   91.354   0.9777 0.8673096E-01 1.382362 
1 1 1    3   13    5 o   64.890   0.6375  4126.63   77.646  4249.29   98.793  3928.45  125.580   66.164   0.7692   63.615   1.0169 2.548889 1.275084 
1 1 1    3   13    6 o   78.509   0.6190  5983.10   94.339  5957.47  133.394  6008.75  133.438   78.341   0.8772   78.678   0.8737 -0.3364792 1.238053 
1 1 1    3   13    7 o  262.644   1.2891 66975.34  654.864 66965.44  888.960 66987.08  968.362  262.627   1.7437  262.661   1.8992 -0.3469849E-01 2.578300 
1 1 1    3   13    8 o  323.853   1.3370 101739.90  833.092 102457.10  1267.09 101193.70  1105.67  324.851   2.0094  322.854   1.7642 1.997314 2.673963 
1 1 1    3   13    9 o  302.124   1.2466 88604.67  726.853 88676.83  1088.30 88546.55  976.602  302.231   1.8550  302.016   1.6658 0.2156372 2.493170 
1 1 1    3   13   10 o   88.808   0.7024  7656.16  120.791  7643.36  176.967  7667.33  165.279   88.738   1.0273   88.877   0.9580 -0.1394501 1.404704 
1 1 1    3   13   11 o  133.642   1.0092 17371.48  254.661 17191.03  409.921 17484.89  324.981  133.073   1.5869  134.211   1.2474 -1.137543 2.018462 
1 1 1    3   13   12 o  338.819   1.2862 111477.10  844.954 111998.00  1168.83 110906.80  1222.89  339.651   1.7728  337.987   1.8639 1.663269 2.572326 
1 1 1    3   13   13 o  130.076   0.8830 16424.81  222.955 16384.91  316.111 16464.32  314.506  129.919   1.2534  130.233   1.2441 -0.3145905 1.766010 
1 1 1    3   13   14 o  252.281   1.1772 61788.14  576.469 62438.81  819.703 61151.41  810.869  253.595   1.6651  250.967   1.6644 2.627960 2.354374 
1 1 1    3   13   15 o  251.828   1.3040 61582.51  637.459 61712.33  903.420 61453.78  899.597  252.093   1.8461  251.564   1.8422 0.5283813 2.608043 
1 1 1    3   13   16 o  104.238   0.9589 10574.22  188.593 10653.58  240.464 10447.38  303.989  104.752   1.1826  103.724   1.5098 1.028740 1.917783 
1 1 1    3   13   17 o   99.945   0.9200  9701.40  173.786  9708.99  221.820  9689.35  279.647  100.001   1.1427   99.890   1.4422 0.1102829 1.840019 
1 1 1    3   13   18 o   85.111   0.9438  7034.89  155.925  7028.50  221.682  7041.14  219.360   85.073   1.3424   85.150   1.3271 -0.7698822E-01 1.887649 
1 1 1    3   13   19 f  151.053   1.3063 22245.11  371.427 21899.29  601.765 22457.95  472.084  150.074   2.0656  152.031   1.5996 -1.956955 2.612609 
1 1 1    3   13   20 o  143.140   1.0225 19910.44  283.929 20010.63  395.183 19803.54  408.205  143.516   1.4185  142.765   1.4730 0.7500763 2.044943 
1 1 1    3   13   21 o  145.561   1.1918 20599.33  336.741 20644.48  478.351 20554.96  474.124  145.718   1.6911  145.404   1.6798 0.3146362 2.383579 
1 1 1    3   13   22 o   94.663   0.8497  8705.68  156.132  8707.79  222.256  8703.63  219.380   94.674   1.2094   94.653   1.1940 0.2151489E-01 1.699459 
1 1 1    3   13   23 f   61.626   0.7227  3685.21   86.357  3764.77  125.627  3613.94  118.905   62.255   1.0395   60.997   1.0042 1.258171 1.445375 
1 1 1    3   13   24 o   80.028   0.8176  6225.18  126.957  6178.33  181.872  6269.70  177.305   79.733   1.1751   80.324   1.1371 -0.5906677 1.635194 
1 1 1    3   13   25 o   49.041   0.8012  2334.95   76.114  2377.93  111.704  2297.70  103.992   49.459   1.1635   48.622   1.1018 0.8376312 1.602377 
1 1 1    3   13   26 o  100.677   0.9586  9861.47  187.312  9818.10  266.680  9903.70  263.154  100.456   1.3676  100.897   1.3436 -0.4411697 1.917147 
1 1 1    3   13   27 o   12.202   2.1382  146.498   60.565   13.993   88.894  261.294   82.741   8.0987   3.3843   16.305   2.6143 -8.205885 4.276418 
1 1 1    3   13   28 o   33.723   1.0205  1119.40   66.191  1009.31   97.203  1214.60   90.385   32.149   1.5576   35.298   1.3191 -3.148643 2.041093 
1 1 1    3   13   29 o   28.204   1.1797  775.153   64.371  829.209   95.979  730.961   86.782   29.088   1.6998   27.320   1.6364 1.767904 2.359473 
1 1 1    3   13   30 o   8.6052   2.2646   16.682   59.237  132.543   88.807 -76.1906   79.510   11.340   3.5951   5.8707   2.7548 5.469107 4.529184 
1 1 1    3   13   31 o   37.330   0.9621  1365.56   69.601  1412.53  101.990  1324.63   95.220   37.921   1.3855   36.738   1.3352 1.183289 1.924168 
1 1 1    3   13   32 o   11.698   2.5778  146.910   64.479  172.046   98.427  128.013   85.341   12.455   3.7575   10.941   3.5302 1.513964 5.155689 
1 1 1    3   13   33 o   7.8556   2.3850   11.021   66.699 -32.4211  101.642   43.876   88.393   7.3268   3.3189   8.3844   3.4261 -1.057634 4.770062 
1 1 1    3   14    0 o   61.397   0.6764  3658.34   80.533  3641.25  111.221  3677.19  116.763   61.246   0.9355   61.547   0.9773 -0.3011589 1.352882 
1 1 1    3   14    1 o  205.021   1.2776 40876.11  491.723 41045.94  621.523 40591.96  803.976  205.605   1.5573  204.437   2.0259 1.167694 2.555253 
1 1 1    3   14    2 o   73.730   0.8138  5279.13  116.343  5316.44  161.097  5238.45  168.200   74.002   1.1214   73.457   1.1796 0.5456543 1.627588 
1 1 1    3   14    3 o   89.367   0.6836  7752.62  118.594  7781.68  168.406  7724.04  167.038   89.533   0.9690   89.201   0.9647 0.3321381 1.367293 
1 1 1    3   14    4 o  112.693   0.8906 12328.93  192.725 12327.02  254.515 12331.51  295.070  112.685   1.1635  112.702   1.3487 -0.1651764E-01 1.781274 
1 1 1    3   14    5 o  340.888   1.5200 112830.50  1005.58 111598.80  1403.03 114131.50  1441.98  338.977   2.1322  342.798   2.1670 -3.821289 3.040096 
1 1 1    3   14    6 o   65.387   0.5525  4149.82   70.122  4106.22   98.741  4194.19   99.599   65.041   0.7821   65.734   0.7805 -0.6930847 1.104939 
1 1 1    3   14    7 o   50.453   0.5651  2460.03   53.071  2508.47   89.096  2433.40   66.072   50.836   0.9029   50.070   0.6798 0.7656364 1.130169 
1 1 1    3   14    8 o  178.907   1.0182 31101.94  352.651 30631.17  516.190 31513.97  482.920  177.635   1.4970  180.179   1.3807 -2.543762 2.036499 
1 1 1    3   14    9 o  458.689   1.5744 203817.50  1381.12 206883.70  2153.45 201674.91  1800.11  461.601   2.4033  455.776   2.0346 5.824524 3.148870 
1 1 1    3   14   10 o  270.408   1.2156 70906.49  634.307 71690.88  952.538 70281.54  850.242  271.747   1.8057  269.068   1.6279 2.678589 2.431165 
1 1 1    3   14   11 o  310.051   1.2794 93353.46  765.805 93084.36  1143.51 93572.29  1031.20  309.642   1.9025  310.460   1.7111 -0.8188782 2.558745 
1 1 1    3   14   12 f  163.779   0.9818 26038.84  312.150 26131.60  441.671 25946.27  441.221  164.070   1.3868  163.488   1.3903 0.5829010 1.963681 
1 1 1    3   14   13 o  179.436   1.0263 31256.62  357.478 31096.72  505.571 31416.49  505.528  178.977   1.4552  179.895   1.4476 -0.9180603 2.052620 
1 1 1    3   14   14 o  165.160   1.0069 26481.71  322.802 26608.27  457.845 26356.61  455.188  165.552   1.4247  164.768   1.4232 0.7846985 2.013730 
1 1 1    3   14   15 o  150.586   1.0706 21978.12  312.056 22513.49  461.272 21526.31  423.742  152.272   1.5605  148.899   1.4660 3.372482 2.141144 
1 1 1    3   14   16 f   82.786   0.7109  6646.34  114.182  6364.21  158.690  6949.21  164.418   80.966   1.0097   84.606   1.0011 -3.639587 1.421857 
1 1 1    3   14   17 o   85.606   0.8490  7066.76  136.462  6928.85  171.563  7304.29  225.155   84.480   1.0462   86.732   1.3373 -2.251343 1.697916 
1 1 1    3   14   18 o   60.797   0.6609  3589.41   77.979  3516.69  110.600  3661.29  109.960   60.184   0.9467   61.410   0.9224 -1.225334 1.321779 
1 1 1    3   14   19 o   92.441   0.7709  8296.39  138.291  8368.04  198.490  8228.79  192.781   92.829   1.1015   92.054   1.0788 0.7746506 1.541828 
1 1 1    3   14   20 o  132.108   1.1526 16960.84  287.284 16962.92  464.561 16959.55  365.565  132.094   1.8117  132.122   1.4254 -0.2728271E-01 2.305218 
1 1 1    3   14   21 o   52.778   0.6967  2707.14   71.322  2605.38  101.353  2806.97  100.384   51.795   1.0081   53.762   0.9619 -1.967918 1.393341 
1 1 1    3   14   22 o  104.717   0.9400 10654.06  191.067 10503.88  268.499 10808.12  271.953  103.969   1.3304  105.464   1.3284 -1.495132 1.880027 
1 1 1    3   14   23 o   23.922   1.4235  577.358   63.354  649.397   82.192  471.900   99.446   25.840   1.6386   22.004   2.3282 3.835691 2.847016 
1 1 1    3   14   24 f   76.647   0.8070  5709.19  120.013  5697.49  172.349  5720.20  167.217   76.569   1.1595   76.724   1.1227 -0.1554413 1.614036 
1 1 1    3   14   25 o   52.378   0.7905  2666.32   79.479  2667.87  121.845  2665.17  104.857   52.386   1.1982   52.370   1.0315 0.1567078E-01 1.581000 
1 1 1    3   14   26 o   74.250   0.8178  5344.54  117.619  5595.25  173.315  5130.49  160.142   75.857   1.1770   72.643   1.1357 3.214180 1.635554 
1 1 1    3   14   27 o   22.591   1.4176  501.333   61.791  477.144   91.234  521.831   83.986   22.074   2.1291   23.108   1.8723 -1.033592 2.835285 
1 1 1    3   14   28 o   31.783   1.0662  982.436   65.578  1034.10   97.471  939.712   88.640   32.539   1.5431   31.027   1.4717 1.511789 2.132396 
1 1 1    3   14   29 o   21.866   1.4968  469.179   63.050  488.252   96.020  454.722   83.598   22.237   2.2244   21.495   2.0035 0.7426853 2.993670 
1 1 1    3   14   30 o   18.290   1.8817  354.256   62.078  254.719   91.732  438.356   84.319   15.559   3.1454   21.021   2.0664 -5.461673 3.763419 
1 1 1    3   14   31 o   19.289   1.6886  373.684   63.167  387.803   91.771  360.972   87.077   19.629   2.4085   18.949   2.3673 0.6797237 3.377113 
1 1 1    3   14   32 o   29.349   1.2121  856.636   68.741  858.420  102.189  855.162   92.902   29.343   1.7940   29.355   1.6303 -0.1202202E-01 2.424170 
1 1 1    3   14   33 o   29.094   1.2501  853.995   70.002  799.864  103.838  899.090   94.776   28.172   1.8988   30.016   1.6266 -1.844215 2.500220 
1 1 1    3   15    0 o   39.655   0.5347  1525.14   41.119  1498.84   56.739  1554.22   59.672   39.295   0.7438   40.014   0.7682 -0.7193146 1.069336 
1 1 1    3   15    1 o  177.662   1.2086 30638.19  402.482 30601.74  506.959 30700.34  661.943  177.531   1.4711  177.793   1.9180 -0.2621918 2.417160 
1 1 1    3   15    2 o  117.690   0.9625 13413.49  210.401 13330.64  261.521 13565.52  354.260  117.181   1.1497  118.198   1.5440 -1.017006 1.925023 
1 1 1    3   15    3 o  247.119   1.3673 59281.41  635.493 59206.38  804.403 59406.01  1036.55  246.929   1.6782  247.309   2.1592 -0.3805847 2.734639 
1 1 1    3   15    4 o  259.302   1.2155 65286.36  611.791 65063.64  861.805 65512.64  868.643  258.857   1.7151  259.748   1.7228 -0.8911438 2.430923 
1 1 1    3   15    5 o  167.484   1.0026 27234.03  325.947 27302.00  459.781 27165.37  462.145  167.695   1.4124  167.274   1.4233 0.4204865 2.005149 
1 1 1    3   15    6 o  265.089   1.2404 68226.66  638.280 68147.51  899.371 68306.97  905.993  264.935   1.7488  265.244   1.7596 -0.3092651 2.480811 
1 1 1    3   15    7 o  551.939   1.7636 295802.41  1889.17 294635.59  2645.04 297017.50  2699.16  550.830   2.4737  553.047   2.5142 -2.217590 3.527112 
1 1 1    3   15    8 o  194.890   1.0616 36874.19  400.220 36827.32  590.854 36913.93  544.033  194.775   1.5627  195.006   1.4372 -0.2313080 2.123113 
1 1 1    3   15    9 o  266.608   1.2075 69125.23  622.445 67511.24  916.034 70509.64  848.392  263.710   1.7895  269.507   1.6217 -5.797424 2.414942 
1 1 1    3   15   10 o  115.402   0.9815 12936.12  214.406 12890.16  343.403 12965.49  274.479  115.232   1.5352  115.572   1.2235 -0.3399506 1.963086 
1 1 1    3   15   11 f  167.954   1.0217 27348.12  332.282 27862.93  489.398 26907.83  452.591  169.417   1.4881  166.490   1.4004 2.927338 2.043440 
1 1 1    3   15   12 o  199.636   1.1113 38690.40  429.066 38697.37  634.752 38684.55  582.226  199.650   1.6378  199.621   1.5025 0.2919006E-01 2.222623 
1 1 1    3   15   13 o   90.550   0.7362  7959.20  129.397  7940.12  183.850  7977.93  182.151   90.443   1.0472   90.658   1.0350 -0.2152100 1.472388 
1 1 1    3   15   14 o  176.040   1.0201 30087.19  348.594 30048.60  494.535 30125.30  491.452  175.928   1.4481  176.153   1.4372 -0.2247620 2.040249 
1 1 1    3   15   15 o  222.550   1.2477 48096.17  539.028 47803.58  759.406 48393.27  765.228  221.868   1.7632  223.232   1.7659 -1.364075 2.495496 
1 1 1    3   15   16 o   78.817   0.7210  6030.58  110.305  6003.63  154.939  6058.28  157.072   78.639   1.0150   78.996   1.0243 -0.3569336 1.442013 
1 1 1    3   15   17 o   34.057   0.7278  1116.34   47.633  1192.38   73.665  1061.71   62.443   35.045   1.0829   33.070   0.9727 1.975063 1.455595 
1 1 1    3   15   18 o   98.344   0.9074  9367.06  168.673  9281.24  214.789  9505.13  272.441   97.765   1.1318   98.924   1.4188 -1.158890 1.814881 
1 1 1    3   15   19 o   84.399   0.7566  6917.47  123.940  6783.82  175.039  7051.85  175.516   83.581   1.0789   85.217   1.0610 -1.635872 1.513173 
1 1 1    3   15   20 o   89.837   0.7886  7838.19  137.523  7836.46  194.976  7839.92  194.001   89.827   1.1182   89.847   1.1123 -0.2011108E-01 1.577204 
1 1 1    3   15   21 o   28.621   1.1501  818.496   58.575  739.599  104.011  855.140   70.884   27.573   1.9433   29.669   1.2308 -2.096029 2.300256 
1 1 1    3   15   22 o  151.996   1.2384 22469.52  365.377 22230.23  515.757 22710.61  517.691  151.182   1.7574  152.809   1.7452 -1.626968 2.476779 
1 1 1    3   15   23 o   48.269   0.7441  2263.15   69.519  2265.60  102.295  2261.04   94.765   48.291   1.0912   48.246   1.0119 0.4548264E-01 1.488174 
1 1 1    3   15   24 o   64.706   0.7702  4072.35   96.624  3956.86  138.782  4181.00  134.609   63.813   1.1204   65.599   1.0571 -1.786682 1.540341 
1 1 1    3   15   25 o   31.905   1.0380  983.605   63.942  1053.26   96.642  929.372   85.275   32.900   1.5132   30.909   1.4212 1.990788 2.076007 
1 1 1    3   15   26 f   84.228   0.8596  6895.93  140.399  6979.72  203.705  6820.10  193.775   84.712   1.2388   83.745   1.1920 0.9677277 1.719132 
1 1 1    3   15   27 o   38.688   0.9075  1454.71   67.765  1484.11  101.872  1431.38   90.755   39.031   1.3445   38.344   1.2193 0.6870384 1.815070 
1 1 1    3   15   28 f   65.588   0.7984  4192.69  101.522  4129.06  146.641  4251.26  140.692   65.103   1.1603   66.073   1.0969 -0.9692993 1.596765 
1 1 1    3   15   29 o   24.914   1.3237  627.395   62.111  480.012   91.128  755.264   84.881   22.058   2.1283   27.770   1.5746 -5.712721 2.647413 
1 1 1    3   15   30 o   59.172   0.8142  3416.52   93.305  3507.86  137.471  3338.51  127.050   59.892   1.1824   58.451   1.1197 1.440971 1.628486 
1 1 1    3   15   31 o   43.083   0.8957  1823.32   74.747  1772.32  108.444  1869.47  103.168   42.491   1.3148   43.675   1.2169 -1.184395 1.791478 
1 1 1    3   15   32 o   14.242   2.4103  226.290   65.611  204.131   99.364  243.420   87.365   13.487   3.6888   14.996   3.1035 -1.508856 4.820699 
1 1 1    3   15   33 o   9.8191   2.6917   80.741   78.442  138.795  101.741  -4.3521  123.175   11.190   3.8596   8.4486   3.7530 2.740985 5.383408 
1 1 1    3   16    0 o  291.062   1.7848 82310.67  1008.32 82152.34  1414.48 82474.27  1437.77  290.780   2.5059  291.344   2.5422 -0.5646973 3.569688 
1 1 1    3   16    1 o  135.294   1.0401 17881.24  262.690 18179.96  330.527 17369.00  432.823  136.844   1.2443  133.743   1.6671 3.100220 2.080287 
1 1 1    3   16    2 o  149.011   1.1135 21501.26  308.565 21358.55  384.092 21760.98  518.170  148.324   1.3340  149.699   1.7832 -1.375031 2.226935 
1 1 1    3   16    3 o  130.487   1.0720 16536.16  270.012 16575.10  363.290 16488.10  403.589  130.661   1.4323  130.313   1.5955 0.3479919 2.144076 
1 1 1    3   16    4 o  156.252   1.1438 23722.14  333.073 23765.18  416.575 23645.87  554.571  156.457   1.3716  156.047   1.8308 0.4096375 2.287595 
1 1 1    3   16    5 o  216.276   1.1346 45412.69  476.323 45339.56  672.437 45486.34  674.814  216.101   1.6030  216.451   1.6061 -0.3493958 2.269135 
1 1 1    3   16    6 o  173.097   1.0332 29086.87  347.164 29047.62  490.555 29126.25  491.373  172.980   1.4609  173.214   1.4614 -0.2339783 2.066373 
1 1 1    3   16    7 o  218.792   1.1479 46470.54  487.529 46382.99  687.442 46559.13  691.518  218.585   1.6201  218.999   1.6267 -0.4144745 2.295830 
1 1 1    3   16    8 o  176.675   1.0517 30300.21  360.698 30473.62  510.513 30127.36  509.696  177.180   1.4843  176.170   1.4904 1.009598 2.103475 
1 1 1    3   16    9 o  429.953   1.5441 179743.59  1280.17 177126.80  1916.99 181849.91  1719.89  427.116   2.3121  432.790   2.0472 -5.674011 3.088169 
1 1 1    3   16   10 o  200.018   1.0862 38890.34  420.565 38074.15  614.764 39608.36  576.606  198.041   1.5991  201.995   1.4705 -3.953735 2.172496 
1 1 1    3   16   11 o  163.201   1.0117 25870.55  319.792 25622.05  467.117 26089.77  438.726  162.462   1.4812  163.940   1.3786 -1.478058 2.023486 
1 1 1    3   16   12 o  146.657   0.9533 20886.06  271.005 20748.56  393.070 21010.65  374.148  146.196   1.3851  147.118   1.3101 -0.9218903 1.906519 
1 1 1    3   16   13 o   60.689   0.7291  3589.83   83.355  3636.98  106.169  3514.05  134.585   61.212   0.8935   60.167   1.1523 1.045013 1.458152 
1 1 1    3   16   14 o  132.175   0.9114 16960.27  233.823 16956.15  332.496 16964.30  328.885  132.159   1.2961  132.191   1.2817 -0.3208923E-01 1.822764 
1 1 1    3   16   15 o   34.329   0.7039  1142.78   46.785  1160.41   68.931  1127.73   63.704   34.573   1.0271   34.084   0.9629 0.4898567 1.407830 
1 1 1    3   16   16 f  103.611   0.7961 10422.64  160.116 10422.25  226.231 10423.02  226.645  103.609   1.1248  103.613   1.1269 -0.3746033E-02 1.592189 
1 1 1    3   16   17 o   48.159   0.6570  2254.84   61.335  2148.80   87.610  2356.76   85.896   47.046   0.9593   49.271   0.8981 -2.224766 1.314096 
1 1 1    3   16   18 o   59.765   0.6692  3470.83   77.505  3416.14  112.472  3520.28  106.955   59.316   0.9768   60.214   0.9150 -0.8987846 1.338443 
1 1 1    3   16   19 o   40.719   0.8166  1597.59   62.762  1557.96   79.454  1663.36  102.350   40.055   1.0219   41.382   1.2741 -1.327400 1.633268 
1 1 1    3   16   20 o   26.627   1.1611  718.377   54.715  615.033   96.541  767.281   66.411   25.148   1.9777   28.106   1.2173 -2.958138 2.322248 
1 1 1    3   16   21 o  134.787   1.1347 17661.34  296.870 17631.17  421.498 17691.04  418.196  134.671   1.6123  134.902   1.5970 -0.2304840 2.269346 
1 1 1    3   16   22 o   27.678   1.2594  747.645   61.884  739.110  113.042  751.297   73.949   27.553   2.1135   27.804   1.3701 -0.2511482 2.518799 
1 1 1    3   16   23 o   87.221   0.9991  7458.73  162.430  7629.20  204.331  7166.05  267.729   88.607   1.1880   85.834   1.6068 2.773010 1.998281 
1 1 1    3   16   24 o   84.559   1.0401  6877.10  160.636  6731.75  195.367  7180.45  282.231   83.223   1.2093   85.895   1.6927 -2.671753 2.080282 
1 1 1    3   16   25 o   62.133   0.7766  3753.61   93.469  3727.29  136.500  3776.85  128.255   61.925   1.1355   62.341   1.0598 -0.4161034 1.553288 
1 1 1    3   16   26 f   49.984   0.8084  2430.26   77.981  2421.85  116.639  2437.05  104.863   49.900   1.2041   50.067   1.0790 -0.1666069 1.616817 
1 1 1    3   16   27 o   35.064   0.9853  1208.32   66.455  1097.61   97.842  1303.14   90.544   33.548   1.5024   36.579   1.2752 -3.030556 1.970607 
1 1 1    3   16   28 o   26.309   1.2445  668.722   63.117  763.092   96.276  597.592   83.585   27.913   1.7769   24.705   1.7429 3.207403 2.488951 
1 1 1    3   16   29 o   54.181   0.8075  2849.96   84.582  3008.04  126.612  2722.55  113.666   55.523   1.1747   52.838   1.1082 2.685173 1.614948 
1 1 1    3   16   30 f   70.902   0.8279  4907.56  113.775  5083.32  166.502  4753.60  155.831   72.081   1.1900   69.722   1.1514 2.359253 1.655796 
1 1 1    3   16   31 o   20.838   1.6526  443.258   65.569  398.754   99.700  477.180   87.042   19.817   2.5917   21.859   2.0513 -2.042192 3.305264 
1 1 1    3   16   32 o   28.087   1.2653  782.161   68.596  835.816  103.831  740.607   91.376   28.909   1.8503   27.265   1.7265 1.644217 2.530656 
1 1 1    3   16   33 o   45.238   1.2893  2066.58  112.207  2019.90  169.136  2103.27  149.959   44.661   1.9509   45.815   1.6862 -1.153858 2.578604 
1 1 1    3   17    0 o  160.067   1.2716 24880.10  395.079 24931.86  556.131 24827.38  561.357  160.235   1.7879  159.898   1.8086 0.3369751 2.543147 
1 1 1    3   17    1 o  166.521   1.2900 26925.18  416.946 26819.01  585.380 27034.51  594.017  166.188   1.8146  166.854   1.8340 -0.6654968 2.579956 
1 1 1    3   17    2 o  137.605   1.0442 18300.32  267.224 18096.27  332.296 18673.83  449.574  136.530   1.2538  138.680   1.6700 -2.149506 2.088310 
1 1 1    3   17    3 o  240.589   1.3653 56165.02  616.496 56033.30  777.702 56387.78  1011.32  240.226   1.6677  240.952   2.1622 -0.7262115 2.730647 
1 1 1    3   17    4 o  212.434   1.3051 43733.90  519.517 43496.04  653.360 44142.86  856.698  211.661   1.5902  213.206   2.0700 -1.545410 2.610251 
1 1 1    3   17    5 o   55.520   0.6032  2977.06   61.295  2947.71   74.893  3036.59  106.676   55.108   0.7001   55.931   0.9825 -0.8234100 1.206447 
1 1 1    3   17    6 o  185.259   1.0627 33310.10  382.135 32830.85  535.494 33807.41  545.485  183.902   1.5000  186.617   1.5058 -2.714905 2.125458 
1 1 1    3   17    7 o  280.834   1.2808 76548.60  698.107 75663.12  977.118 77471.87  997.749  279.176   1.8030  282.493   1.8195 -3.316650 2.561534 
1 1 1    3   17    8 o  487.927   1.6971 231080.50  1604.42 229933.00  2200.64 232382.41  2344.13  486.640   2.3296  489.215   2.4684 -2.574677 3.394104 
1 1 1    3   17    9 o  352.115   1.3297 120481.30  904.634 119175.80  1341.99 121568.70  1224.72  350.360   1.9732  353.869   1.7829 -3.509186 2.659378 
1 1 1    3   17   10 o  327.503   1.3037 104182.30  824.679 103619.10  1227.69 104645.40  1113.23  326.692   1.9359  328.315   1.7467 -1.623016 2.607471 
1 1 1    3   17   11 o  140.770   0.9692 19274.04  263.476 18845.44  390.719 19631.47  356.808  139.331   1.4446  142.209   1.2925 -2.878525 1.938440 
1 1 1    3   17   12 o   67.094   0.6266  4369.55   81.596  4287.23  115.146  4452.58  115.644   66.459   0.8925   67.729   0.8796 -1.269493 1.253129 
1 1 1    3   17   13 o  269.501   1.2575 70517.24  654.664 70566.37  975.265 70476.95  883.231  269.582   1.8637  269.421   1.6888 0.1607971 2.515009 
1 1 1    3   17   14 o  218.588   1.1692 46417.54  494.578 46090.71  727.483 46698.40  674.407  217.868   1.7201  219.307   1.5842 -1.438843 2.338483 
1 1 1    3   17   15 o   76.350   0.7255  5656.07  107.449  5737.42  155.317  5581.39  148.804   76.876   1.0408   75.824   1.0110 1.052032 1.450976 
1 1 1    3   17   16 o   38.357   0.7214  1430.49   53.502  1402.07   78.799  1454.81   72.874   38.002   1.0682   38.711   0.9698 -0.7090263 1.442732 
1 1 1    3   17   17 o   46.113   0.6713  2065.17   60.019  2048.34   86.840  2080.56   83.045   45.933   0.9739   46.293   0.9241 -0.3604431 1.342600 
1 1 1    3   17   18 o   96.690   0.8376  9079.21  157.147  9077.71  225.393  9080.64  219.216   96.681   1.2010   96.698   1.1679 -0.1717377E-01 1.675177 
1 1 1    3   17   19 o   95.179   0.8227  8797.84  151.984  8822.08  216.809  8774.42  213.115   95.307   1.1719   95.050   1.1550 0.2569504 1.645426 
1 1 1    3   17   20 o   29.583   1.0367  835.776   58.321  782.506   74.316  921.181   94.099   28.380   1.3490   30.786   1.5746 -2.406584 2.073425 
1 1 1    3   17   21 o   81.516   0.7808  6454.85  123.539  6396.29  175.355  6512.56  174.072   81.148   1.1132   81.883   1.0951 -0.7352219 1.561586 
1 1 1    3   17   22 o   90.360   0.8339  7934.32  146.212  7866.66  209.339  7998.76  204.303   89.982   1.1985   90.737   1.1599 -0.7553024 1.667852 
1 1 1    3   17   23 o   77.864   0.9568  5912.76  136.176  5837.82  235.669  5950.32  166.849   77.471   1.5671   78.257   1.0983 -0.7855911 1.913670 
1 1 1    3   17   24 o   80.103   0.8181  6239.75  127.136  6104.18  181.741  6369.69  177.917   79.248   1.1814   80.958   1.1321 -1.709846 1.636284 
1 1 1    3   17   25 o   52.794   0.7810  2710.85   79.759  2686.95  117.518  2731.26  108.601   52.574   1.1515   53.013   1.0553 -0.4383545 1.561947 
1 1 1    3   17   26 o   57.689   0.7888  3231.67   88.012  3289.67  130.639  3183.47  119.095   58.158   1.1572   57.220   1.0722 0.9381828 1.577546 
1 1 1    3   17   27 o   42.631   0.9554  1783.35   78.055  1857.82  103.762  1686.29  118.465   43.679   1.2238   41.584   1.4676 2.095089 1.910865 
1 1 1    3   17   28 o   9.2645   2.3220   59.072   59.651 -30.5563   88.834  132.673   80.500   7.1271   3.1753   11.402   3.3888 -4.274855 4.643973 
1 1 1    3   17   29 o   68.575   0.8161  4587.15  108.383  4617.73  158.954  4560.59  148.167   68.776   1.1906   68.373   1.1163 0.4029465 1.632103 
1 1 1    3   17   30 o   19.360   1.7734  386.510   64.793  322.166   98.121  436.261   86.279   17.797   2.8402   20.922   2.1244 -3.125017 3.546793 
1 1 1    3   17   31 o   65.876   0.8213  4243.90  104.633  4351.13  155.653  4155.50  141.328   66.610   1.2038   65.142   1.1176 1.468376 1.642640 
1 1 1    3   17   32 o   26.706   1.3269  708.280   68.400  772.250  103.687  658.992   91.013   27.743   1.9254   25.670   1.8265 2.073006 2.653883 
1 1 1    3   17   33 o   10.294   2.9103   95.568   88.598   64.721  136.441  118.058  116.502   9.8945   4.1672   10.693   4.0637 -0.7980375 5.820634 
1 1 1    3   18    0 o  105.220   1.0290 10748.53  210.172 10830.75  298.107 10667.28  296.356  105.620   1.4540  104.820   1.4565 0.8001480 2.058017 
1 1 1    3   18    1 o   76.241   0.8246  5640.43  121.997  5551.22  170.020  5735.10  175.154   75.620   1.1582   76.862   1.1739 -1.242004 1.649139 
1 1 1    3   18    2 o  171.029   1.1622 28321.42  371.100 28113.29  464.188 28690.07  617.760  170.169   1.4052  171.889   1.8514 -1.719742 2.324325 
1 1 1    3   18    3 o  146.213   1.0766 20740.42  293.618 20702.23  367.309 20808.01  488.686  146.032   1.2957  146.394   1.7197 -0.3616486 2.153175 
1 1 1    3   18    4 o   36.387   0.4903  1270.15   32.906  1238.49   40.393  1332.61   56.736   35.721   0.5825   37.053   0.7888 -1.331875 0.9805974 
1 1 1    3   18    5 o  297.754   1.4856 86102.66  833.564 86170.75  1058.79 85991.68  1351.89  297.922   1.8308  297.587   2.3402 0.3354797 2.971291 
1 1 1    3   18    6 f  339.646   1.7034 111748.30  1077.44 111086.10  1343.70 112940.90  1803.18  338.259   2.0464  341.033   2.7238 -2.773956 3.406890 
1 1 1    3   18    7 o   86.764   0.6849  7305.39  115.346  7200.20  161.551  7414.78  164.743   86.128   0.9663   87.401   0.9710 -1.273941 1.369873 
1 1 1    3   18    8 o  347.708   1.3924 117371.40  939.761 116961.00  1321.59 117791.20  1336.58  347.094   1.9615  348.323   1.9767 -1.228912 2.784764 
1 1 1    3   18    9 o  132.107   0.8910 16953.14  228.304 16579.25  327.425 17306.94  318.502  130.688   1.2907  133.527   1.2288 -2.838074 1.782056 
1 1 1    3   18   10 o  240.163   1.1810 56012.47  548.347 55793.20  812.127 56196.20  743.384  239.729   1.7452  240.598   1.5917 -0.8691254 2.362006 
1 1 1    3   18   11 o   87.001   0.7088  7349.12  119.679  7208.27  170.042  7487.39  168.473   86.174   1.0165   87.827   0.9882 -1.652855 1.417674 
1 1 1    3   18   12 o  174.497   1.0527 29568.66  355.830 29423.14  519.913 29696.88  488.039  174.092   1.5385  174.902   1.4375 -0.8104248 2.105500 
1 1 1    3   18   13 o  147.552   0.9858 21147.86  282.028 20882.40  407.209 21392.59  390.983  146.661   1.4303  148.444   1.3568 -1.782745 1.971518 
1 1 1    3   18   14 o  114.791   0.8596 12779.00  191.283 13042.54  278.897 12544.92  262.846  115.907   1.2396  113.675   1.1912 2.231499 1.719124 
1 1 1    3   18   15 o  159.125   1.0257 24589.88  316.244 24556.63  461.448 24619.33  434.263  159.021   1.4949  159.229   1.4050 -0.2076721 2.051479 
1 1 1    3   18   16 o  211.325   1.3508 43385.11  554.098 43744.72  781.450 43021.48  785.793  212.207   1.8970  210.443   1.9236 1.764084 2.701651 
1 1 1    3   18   17 o   42.114   0.6814  1722.21   55.393  1719.34   82.791  1724.53   74.533   42.081   1.0135   42.146   0.9110 -0.6476974E-01 1.362773 
1 1 1    3   18   18 o   72.082   0.6870  5045.63   96.111  5011.85  137.049  5078.31  134.822   71.844   0.9827   72.320   0.9604 -0.4754715 1.374047 
1 1 1    3   18   19 f  108.472   0.9205 11429.59  193.814 11446.96  274.353 11412.27  273.837  108.554   1.3020  108.390   1.3015 0.1645813 1.840913 
1 1 1    3   18   20 o  109.381   0.9025 11623.45  191.626 11624.38  272.084 11622.54  269.929  109.385   1.2814  109.377   1.2713 0.7843018E-02 1.805059 
1 1 1    3   18   21 o   75.470   0.8980  5539.85  126.951  5556.87  159.933  5510.85  208.730   75.637   1.0893   75.302   1.4279 0.3343201 1.795981 
1 1 1    3   18   22 o   99.224   0.9283  9568.12  178.784  9432.59  252.606  9704.14  253.074   98.519   1.3209   99.928   1.3046 -1.409607 1.856551 
1 1 1    3   18   23 o   62.556   0.7513  3809.73   90.998  3672.83  131.999  3933.73  125.620   61.481   1.1060   63.632   1.0170 -2.151684 1.502520 
1 1 1    3   18   24 o   52.114   0.9648  2627.89   94.684  2586.84  119.675  2696.57  154.814   51.585   1.1951   52.643   1.5150 -1.057671 1.929628 
1 1 1    3   18   25 o  102.080   0.9589 10136.05  189.976 10158.63  271.586 10114.41  265.840  102.189   1.3691  101.971   1.3430 0.2182617 1.917850 
1 1 1    3   18   26 o   19.223   1.6555  364.024   61.114  345.689   92.098  378.450   81.691   18.773   2.5272   19.672   2.1392 -0.8986092 3.311071 
1 1 1    3   18   27 o   7.6601   2.2768  -0.2583   57.990   43.034   88.821 -32.4212   76.558   8.7874   3.4887   6.5328   2.9264 2.254658 4.553578 
1 1 1    3   18   28 o   21.724   1.4517  458.981   60.354  493.753   94.932  435.393   78.190   22.388   2.1844   21.060   1.9127 1.328541 2.903411 
1 1 1    3   18   29 o   34.506   1.0294  1184.35   67.420  1067.86  103.897  1269.08   88.611   32.979   1.6230   36.033   1.2669 -3.053905 2.058858 
1 1 1    3   18   30 o   52.988   0.8293  2742.59   84.921  2805.85  126.854  2691.22  114.315   53.521   1.2210   52.454   1.1227 1.067703 1.658694 
1 1 1    3   18   31 o   25.870   1.3349  656.307   66.421  747.432  102.788  590.978   87.032   27.370   1.9347   24.369   1.8398 3.000835 2.669791 
1 1 1    3   18   32 o   32.319   1.1467  1040.67   70.825  1027.67  109.784  1049.94   92.693   32.075   1.7632   32.563   1.4664 -0.4882050 2.293303 
1 1 1    3   18   33 o   21.644   2.2827  508.497   93.205  527.149  150.933  497.001  118.498   21.679   3.5866   21.610   2.8249 0.6932640E-01 4.565475 
1 1 1    3   19    0 o   50.998   0.6396  2521.77   63.273  2449.37   87.583  2600.79   91.508   50.233   0.8982   51.762   0.9107 -1.529362 1.279116 
1 1 1    3   19    1 o  120.576   1.1289 14103.27  264.120 13652.19  367.362 14585.94  380.002  118.582   1.5959  122.570   1.5971 -3.988159 2.257819 
1 1 1    3   19    2 o   90.122   0.8736  7885.14  152.378  7895.44  207.757  7873.15  224.169   90.186   1.1867   90.057   1.2823 0.1285324 1.747179 
1 1 1    3   19    3 o  266.772   1.4260 69200.08  716.203 69512.60  909.260 68689.23  1162.50  267.579   1.7505  265.965   2.2517 1.614410 2.852079 
1 1 1    3   19    4 o  275.892   1.4511 73907.03  753.091 73917.75  953.843 73889.30  1227.11  275.931   1.7808  275.854   2.2916 0.7666016E-01 2.902184 
1 1 1    3   19    5 o   42.570   0.6187  1754.41   51.001  1696.52   69.327  1822.69   75.293   41.807   0.8543   43.334   0.8951 -1.526691 1.237304 
1 1 1    3   19    6 o  184.224   1.2504 33027.05  431.153 33251.84  543.016 32643.59  709.227  185.080   1.5114  183.369   1.9925 1.710419 2.500879 
1 1 1    3   19    7 o  201.557   1.2951 39342.97  488.940 39077.00  614.366 39802.43  807.496  200.636   1.5774  202.478   2.0545 -1.842422 2.590198 
1 1 1    3   19    8 o  142.577   0.9810 19751.50  271.105 19339.75  391.669 20130.23  375.633  141.148   1.4295  144.005   1.3438 -2.856949 1.961915 
1 1 1    3   19    9 o  177.638   1.1395 30557.35  388.037 30160.85  508.554 31109.87  600.328  176.265   1.4863  179.011   1.7276 -2.746185 2.278962 
1 1 1    3   19   10 o  266.457   1.2337 68988.34  635.486 68249.03  939.656 69611.50  862.693  265.138   1.8257  267.777   1.6597 -2.639801 2.467322 
1 1 1    3   19   11 o  192.660   1.0854 36037.52  404.733 35992.70  595.458 36076.01  551.791  192.547   1.5931  192.773   1.4746 -0.2260895 2.170799 
1 1 1    3   19   12 o  144.936   0.9730 20375.58  273.231 20661.32  400.012 20125.66  374.103  145.887   1.4125  143.985   1.3385 1.901978 1.945946 
1 1 1    3   19   13 o  234.344   1.2058 53289.50  546.330 53696.71  810.969 52951.13  739.255  235.160   1.7765  233.529   1.6308 1.630371 2.411529 
1 1 1    3   19   14 o  119.119   0.9304 13776.41  215.142 13658.83  303.967 13894.44  304.549  118.609   1.3202  119.628   1.3115 -1.018852 1.860889 
1 1 1    3   19   15 o  230.723   1.3500 51698.54  600.628 51833.57  903.527 51591.62  803.993  230.981   2.0151  230.465   1.7971 0.5168152 2.700073 
1 1 1    3   19   16 o   99.663   0.8115  9646.87  156.887  9550.35  225.294  9737.73  218.600   99.178   1.1702  100.148   1.1245 -0.9695663 1.622906 
1 1 1    3   19   17 f   85.130   0.7774  7039.15  128.394  6967.50  184.168  7106.90  179.091   84.708   1.1200   85.552   1.0784 -0.8446121 1.554793 
1 1 1    3   19   18 o   61.822   0.6641  3711.54   79.674  3682.54  113.852  3739.39  111.535   61.584   0.9524   62.059   0.9259 -0.4741974 1.328236 
1 1 1    3   19   19 o  169.491   1.0981 27915.08  361.296 28040.07  511.293 27790.43  510.606  169.870   1.5506  169.111   1.5554 0.7585144 2.196261 
1 1 1    3   19   20 o  107.457   0.9434 11220.01  196.787 11154.38  278.989 11285.00  277.613  107.144   1.3414  107.771   1.3270 -0.6267853 1.886867 
1 1 1    3   19   21 o   20.361   1.2861  402.243   50.760  422.394   74.266  384.575   69.539   20.838   1.8360   19.884   1.8016 0.9539375 2.572247 
1 1 1    3   19   22 o  101.830   1.0573 10052.04  200.879  9975.72  251.050 10187.86  334.915  101.318   1.2765  102.342   1.6858 -1.024551 2.114565 
1 1 1    3   19   23 o   39.072   0.8543  1482.86   64.572  1494.17   95.527  1473.35   87.623   39.207   1.2552   38.937   1.1593 0.2699394 1.708612 
1 1 1    3   19   24 o   67.677   0.7841  4446.00  102.678  4518.94  152.008  4384.81  139.247   68.183   1.1485   67.170   1.0679 1.012741 1.568279 
1 1 1    3   19   25 o   62.188   0.7855  3754.77   94.243  3801.13  141.701  3718.01  126.201   62.526   1.1675   61.849   1.0511 0.6773071 1.570953 
1 1 1    3   19   26 o   31.579   1.0579  978.677   64.363  895.209   94.302  1051.47   88.063   30.300   1.6033   32.858   1.3807 -2.557594 2.115837 
1 1 1    3   19   27 o   14.947   2.0596  218.954   58.163  283.686   90.286  173.033   76.045   16.942   2.7453   12.952   3.0712 3.989819 4.119287 
1 1 1    3   19   28 o   41.472   0.8540  1668.25   68.207  1746.62  104.132  1609.37   90.265   42.311   1.2678   40.634   1.1444 1.676834 1.707926 
1 1 1    3   19   29 o   23.398   1.3709  546.278   60.923  511.568   94.820  570.681   79.506   22.711   2.1508   24.084   1.7006 -1.372976 2.741851 
1 1 1    3   19   30 o   66.510   0.8184  4319.07  105.283  4445.42  156.609  4214.87  142.214   67.376   1.1974   65.644   1.1161 1.732170 1.636884 
1 1 1    3   19   31 o   39.538   0.9404  1541.69   71.813  1499.86  106.197  1576.93   97.479   39.013   1.4023   40.063   1.2534 -1.050659 1.880828 
1 1 1    3   19   32 o   17.538   2.1441  348.941   67.489  229.073  101.738  443.142   90.190   14.204   3.6653   20.872   2.2260 -6.667678 4.288284 
1 1 1    3   19   33 o   20.050   2.4933  452.957   93.600  456.629  143.729  450.253  123.338   19.740   3.8892   20.359   3.1209 -0.6187687 4.986546 
1 1 1    3   20    0 f   77.103   0.8477  5770.45  126.866  5897.21  180.177  5645.80  178.663   77.943   1.1909   76.263   1.2069 1.679688 1.695476 
1 1 1    3   20    1 o  152.377   1.2772 22540.46  377.739 22385.94  529.933 22700.06  538.580  151.846   1.7978  152.908   1.8145 -1.061218 2.554335 
1 1 1    3   20    2 o  203.811   1.4428 40328.62  570.741 40138.61  800.440 40525.13  814.030  203.323   2.0280  204.299   2.0526 -0.9757385 2.885522 
1 1 1    3   20    3 o  287.541   1.4681 80327.87  795.301 80492.73  1010.21 80059.14  1289.78  287.941   1.8073  287.141   2.3140 0.8004456 2.936141 
1 1 1    3   20    4 o  154.833   1.1283 23240.83  325.617 23159.81  406.753 23385.39  543.333  154.462   1.3566  155.204   1.8034 -0.7424927 2.256686 
1 1 1    3   20    5 o  314.840   1.5192 96171.09  901.084 95962.63  1143.22 96513.04  1464.17  314.401   1.8732  315.279   2.3924 -0.8778381 3.038478 
1 1 1    3   20    6 o  284.446   1.4878 78608.03  795.978 78779.24  1008.48 78325.12  1296.33  284.867   1.8237  284.025   2.3512 0.8421021 2.975601 
1 1 1    3   20    7 o  147.339   1.1234 20916.14  307.776 20536.80  381.990 21618.09  519.629  145.452   1.3529  149.225   1.7938 -3.772827 2.246826 
1 1 1    3   20    8 f  207.553   1.3252 41774.53  514.834 41641.96  646.848 42003.65  850.385  207.112   1.6089  207.994   2.1062 -0.8826752 2.650407 
1 1 1    3   20    9 o  351.388   1.4241 119877.90  971.350 119665.70  1365.41 120095.40  1382.14  351.073   2.0035  351.702   2.0245 -0.6286316 2.848274 
1 1 1    3   20   10 o  377.897   1.4119 138723.59  1034.42 137217.70  1496.45 140101.59  1431.50  375.928   2.0507  379.865   1.9413 -3.937317 2.823810 
1 1 1    3   20   11 o  144.865   0.9813 20368.28  275.433 20437.57  402.423 20307.21  377.786  145.096   1.4288  144.634   1.3456 0.4619598 1.962643 
1 1 1    3   20   12 o   74.298   0.6647  5358.63   95.851  5348.84  136.723  5368.09  134.414   74.231   0.9488   74.365   0.9311 -0.1336441 1.329391 
1 1 1    3   20   13 o   82.893   0.7236  6670.10  116.407  6671.50  166.348  6668.77  162.954   82.901   1.0337   82.884   1.0128 0.1674652E-01 1.447175 
1 1 1    3   20   14 o   81.351   0.7031  6424.20  110.994  6441.38  159.118  6407.91  154.905   81.456   1.0063   81.245   0.9822 0.2114410 1.406196 
1 1 1    3   20   15 o   86.828   0.7650  7318.58  128.862  7340.69  185.747  7298.07  178.921   86.954   1.1004   86.702   1.0631 0.2519608 1.530074 
1 1 1    3   20   16 o  210.432   1.1915 43038.20  485.392 42667.63  711.436 43360.93  663.920  209.578   1.7487  211.287   1.6187 -1.708771 2.382942 
1 1 1    3   20   17 o   77.974   0.7105  5901.71  107.409  5937.42  156.017  5869.54  148.090   78.197   1.0278   77.750   0.9812 0.4468613 1.420977 
1 1 1    3   20   18 f   28.997   0.8811  825.080   49.051  740.336   72.481  896.685   66.626   27.607   1.3525   30.386   1.1295 -2.779381 1.762136 
1 1 1    3   20   19 o   71.561   0.7163  4972.48   99.484  5000.45  142.007  4945.52  139.413   71.759   1.0195   71.364   1.0064 0.3947906 1.432517 
1 1 1    3   20   20 o   94.440   0.8666  8664.15  158.850  8688.30  226.326  8640.71  223.006   94.569   1.2329   94.310   1.2181 0.2582779 1.733157 
1 1 1    3   20   21 o   23.172   1.1475  521.523   51.483  529.636   75.836  514.588   70.115   23.338   1.6740   23.006   1.5700 0.3312969 2.295023 
1 1 1    3   20   22 o   30.475   0.9998  910.377   58.621  825.891   86.169  983.166   79.982   29.144   1.5231   31.806   1.2954 -2.662117 1.999527 
1 1 1    3   20   23 o  135.523   1.3779 17868.97  347.547 17819.60  433.523 17957.78  581.423  135.328   1.6503  135.718   2.2069 -0.3898621 2.755726 
1 1 1    3   20   24 o   57.339   0.7810  3195.62   86.608  3193.11  128.083  3197.75  117.558   57.315   1.1512   57.363   1.0557 -0.4834366E-01 1.562010 
1 1 1    3   20   25 o   53.355   0.7938  2777.40   81.592  2682.11  121.983  2854.55  109.760   52.518   1.1965   54.193   1.0434 -1.674259 1.587549 
1 1 1    3   20   26 o   32.503   1.0326  1034.61   64.098  1000.57   99.132  1059.07   84.026   32.029   1.5944   32.978   1.3126 -0.9491615 2.065216 
1 1 1    3   20   27 o   45.342   0.8369  1992.55   73.451  2140.22  108.962  1869.54   99.441   46.872   1.1976   43.811   1.1693 3.060394 1.673717 
1 1 1    3   20   28 o   28.328   1.1644  792.698   63.223  737.670   95.335  835.897   84.469   27.420   1.7911   29.237   1.4883 -1.817305 2.328778 
1 1 1    3   20   29 o   10.185   2.5337   96.813   61.181  102.945   97.318   92.805   78.671   10.525   3.7630   9.8456   3.3940 0.6794510 5.067481 
1 1 1    3   20   30 o   25.780   1.3218  669.830   64.702  596.574   99.017  724.418   85.474   24.462   2.0852   27.097   1.6250 -2.635078 2.643618 
1 1 1    3   20   31 f   14.393   2.2335  237.022   63.345  124.092   95.723  325.008   84.492   10.912   3.7448   17.874   2.4352 -6.961704 4.466971 
1 1 1    3   20   32 o   49.414   1.0466  2444.31   97.884  2531.75  126.605  2314.36  154.335   50.652   1.2876   48.175   1.6503 2.476997 2.093224 
1 1 1    3   21    0 o  225.546   1.5094 49396.63  660.773 49666.10  929.109 49120.85  939.934  226.169   2.1163  224.923   2.1528 1.246323 3.018774 
1 1 1    3   21    1 o  170.413   1.3205 28188.49  436.701 27975.37  609.298 28413.62  626.226  169.751   1.8491  171.074   1.8857 -1.323563 2.641034 
1 1 1    3   21    2 o  354.355   1.8243 121968.80  1251.66 121466.50  1835.31 122405.60  1711.40  353.666   2.6733  355.044   2.4832 -1.377563 3.648652 
1 1 1    3   21    3 o  270.110   1.4413 70686.63  731.471 70252.41  923.362 71418.23  1198.57  269.008   1.7682  271.212   2.2766 -2.203430 2.882650 
1 1 1    3   21    4 o  335.461   1.7097 108656.70  1063.06 107249.50  1315.90 111300.60  1803.72  332.370   2.0396  338.553   2.7446 -6.182434 3.419439 
1 1 1    3   21    5 o  158.033   1.1700 24246.13  345.274 24251.39  432.766 24236.94  572.706  158.061   1.4105  158.006   1.8672 0.5455017E-01 2.340063 
1 1 1    3   21    6 o  187.632   1.2697 34104.19  445.382 33906.53  558.281 34450.22  738.665  186.891   1.5389  188.373   2.0201 -1.481598 2.539430 
1 1 1    3   21    7 o  192.493   1.2928 35956.48  464.485 35913.56  581.626 36032.07  771.744  192.341   1.5578  192.645   2.0637 -0.3037872 2.585658 
1 1 1    3   21    8 o  115.775   1.0129 12946.38  217.622 12792.15  269.835 13233.38  368.083  114.797   1.2109  116.754   1.6241 -1.957619 2.025808 
1 1 1    3   21    9 o  127.619   1.0539 15827.92  250.054 15871.16  311.856 15750.08  418.458  127.867   1.2564  127.372   1.6924 0.4954224 2.107825 
1 1 1    3   21   10 o  101.318   0.8877  9927.27  169.594  9809.34  214.986 10121.58  275.957  100.526   1.1017  102.109   1.3922 -1.583809 1.775406 
1 1 1    3   21   11 o  276.638   1.2655 74329.31  676.486 74007.50  1004.80 74596.12  914.899  276.086   1.8749  277.190   1.7003 -1.104401 2.531049 
1 1 1    3   21   12 o   99.326   0.7870  9577.49  151.678  9559.88  217.629  9594.12  211.511   99.237   1.1297   99.415   1.0960 -0.1780624 1.574031 
1 1 1    3   21   13 o  232.537   1.2170 52533.47  547.539 52209.47  806.440 52810.57  745.787  231.867   1.7917  233.208   1.6474 -1.340790 2.433979 
1 1 1    3   21   14 o  132.570   0.9350 17052.24  240.295 17295.01  350.202 16836.25  330.325  133.460   1.3518  131.680   1.2923 1.779510 1.870097 
1 1 1    3   21   15 o   98.900   0.8024  9495.15  153.930  9528.04  222.390  9464.89  213.275   99.064   1.1565   98.736   1.1128 0.3276749 1.604880 
1 1 1    3   21   16 o  124.054   0.9586 14946.15  230.291 14935.03  337.511 14955.84  315.012  124.008   1.4021  124.100   1.3076 -0.9136963E-01 1.917231 
1 1 1    3   21   17 o   69.459   0.6890  4688.10   92.775  4607.81  134.066  4761.88  128.518   68.887   1.0026   70.031   0.9454 -1.143829 1.378006 
1 1 1    3   21   18 o  107.628   0.8730 11253.62  182.292 11172.69  261.548 11330.07  254.208  107.250   1.2563  108.005   1.2125 -0.7554779 1.745966 
1 1 1    3   21   19 f  115.261   0.9437 12903.30  210.887 12981.38  306.271 12832.91  290.807  115.590   1.3650  114.932   1.3035 0.6577148 1.887359 
1 1 1    3   21   20 o   75.655   0.7544  5560.03  110.750  5531.77  158.682  5586.87  154.644   75.467   1.0832   75.843   1.0504 -0.3765564 1.508846 
1 1 1    3   21   21 o   90.094   0.8251  7885.25  144.237  7900.98  206.995  7870.41  201.096   90.180   1.1825   90.008   1.1510 0.1722870 1.650124 
1 1 1    3   21   22 o   80.951   0.8028  6367.88  126.112  6340.75  180.545  6393.72  176.233   80.782   1.1513   81.121   1.1192 -0.3392029 1.605647 
1 1 1    3   21   23 o   74.525   0.7954  5399.12  115.012  5309.26  164.255  5485.56  161.094   73.915   1.1448   75.135   1.1045 -1.220375 1.590753 
1 1 1    3   21   24 o   35.773   0.9474  1241.20   65.539  1281.31   97.652  1208.33   88.409   36.295   1.3860   35.251   1.2920 1.043781 1.894825 
1 1 1    3   21   25 o   51.594   0.8057  2585.83   80.277  2612.24  120.078  2564.49  107.948   51.827   1.1935   51.360   1.0827 0.4668808 1.611477 
1 1 1    3   21   26 o   29.725   1.1442  856.403   65.022  895.026  102.121  830.070   84.323   30.273   1.7378   29.178   1.4888 1.095188 2.288314 
1 1 1    3   21   27 o   31.848   1.0646  1007.08   64.525  886.908   97.772  1099.80   85.883   30.113   1.6726   33.582   1.3175 -3.468597 2.129151 
1 1 1    3   21   28 o   11.562   2.4210  140.472   59.771   92.650   94.054  172.869   77.414   10.250   3.6955   12.874   3.1285 -2.624201 4.841931 
1 1 1    3   21   29 o   20.980   1.5706  462.541   60.008  348.128   95.292  537.727   77.248   18.601   2.6391   23.360   1.7035 -4.759150 3.141195 
1 1 1    3   21   30 f   30.114   1.1590  902.576   66.712  848.735  101.893  942.974   88.260   29.271   1.7932   30.956   1.4687 -1.685329 2.317955 
1 1 1    3   21   31 o   11.973   2.4549  141.457   64.928  251.380  100.323   62.233   85.170   15.077   3.4958   8.8695   3.4476 6.207560 4.909845 
1 1 1    3   21   32 o   21.665   2.3211  502.730   94.097  629.810  142.286  403.949  125.447   24.340   3.0114   18.990   3.5330 5.350016 4.642291 
1 1 1    3   22    0 o   89.570   0.9674  7780.49  167.708  7881.26  247.500  7694.94  228.044   90.105   1.4150   89.034   1.3195 1.070633 1.934740 
1 1 1    3   22    1 o   78.422   0.8833  5969.60  134.462  5999.79  191.068  5939.97  189.262   78.619   1.2520   78.226   1.2464 0.3928833 1.766602 
1 1 1    3   22    2 f  147.750   1.2415 21186.60  355.934 21007.77  495.421 21377.40  511.707  147.106   1.7349  148.393   1.7764 -1.287796 2.483053 
1 1 1    3   22    3 o  236.968   1.3842 54326.42  614.268 53806.03  771.119 55230.05  1016.13  235.428   1.6873  238.508   2.1947 -3.080200 2.768375 
1 1 1    3   22    4 o  193.219   1.2856 36363.98  465.820 36718.43  588.727 35770.59  761.747  194.487   1.5594  191.950   2.0444 2.537247 2.571214 
1 1 1    3   22    5 o  157.863   1.1721 24285.64  345.779 24543.44  435.005 23843.21  569.876  159.009   1.4093  156.716   1.8733 2.292694 2.344211 
1 1 1    3   22    6 o  337.185   1.5864 109861.40  1003.60 108364.10  1262.01 112437.30  1655.31  334.091   1.9460  340.280   2.5060 -6.189545 3.172806 
1 1 1    3   22    7 o  204.929   1.3391 40685.04  513.758 40445.13  645.247 41100.54  849.174  204.113   1.6285  205.745   2.1262 -1.632111 2.678195 
1 1 1    3   22    8 o  186.274   1.3929 33644.01  498.449 33386.25  658.047 33990.98  763.468  185.442   1.8280  187.106   2.1020 -1.663895 2.785716 
1 1 1    3   22    9 f   81.311   0.8303  6384.31  124.061  6315.09  152.181  6521.47  214.212   80.659   0.9719   81.963   1.3464 -1.304146 1.660526 
1 1 1    3   22   10 o  195.770   1.3450 37122.80  492.647 36882.04  618.131 37542.02  815.659  194.911   1.6337  196.630   2.1369 -1.718872 2.689910 
1 1 1    3   22   11 o  225.879   1.3158 49565.54  573.216 49756.20  769.067 49327.23  859.799  226.374   1.7501  225.385   1.9652 0.9887848 2.631541 
1 1 1    3   22   12 o  147.546   0.9913 21138.91  283.403 21076.93  413.009 21194.07  389.599  147.340   1.4440  147.752   1.3584 -0.4114075 1.982517 
1 1 1    3   22   13 o  170.251   1.0639 28133.51  350.775 28317.36  514.664 27974.03  479.357  170.768   1.5526  169.734   1.4549 1.033463 2.127710 
1 1 1    3   22   14 o   96.951   0.7990  9120.57  150.307  9286.53  216.673  8966.62  208.683   97.801   1.1413   96.102   1.1186 1.698761 1.598099 
1 1 1    3   22   15 o  125.382   0.9663 15273.61  235.002 15032.26  337.606 15500.47  327.318  124.419   1.3978  126.345   1.3346 -1.925552 1.932635 
1 1 1    3   22   16 o   68.997   0.6877  4625.56   91.957  4558.39  133.382  4686.41  126.950   68.519   1.0028   69.476   0.9413 -0.9570313 1.375394 
1 1 1    3   22   17 o  108.426   0.9281 11421.28  195.077 11372.35  283.131 11465.50  269.161  108.203   1.3480  108.649   1.2762 -0.4465942 1.856271 
1 1 1    3   22   18 o   45.410   0.7993  2013.46   68.933  2057.09   89.259  1948.97  108.510   46.026   0.9990   44.794   1.2479 1.232094 1.598552 
1 1 1    3   22   19 o   50.654   0.6909  2490.40   67.850  2519.03   98.625  2464.67   93.491   50.930   0.9976   50.378   0.9560 0.5513458 1.381711 
1 1 1    3   22   20 o  114.687   0.9711 12779.24  215.988 12835.73  312.577 12727.62  298.794  114.927   1.4011  114.447   1.3449 0.4793930 1.942151 
1 1 1    3   22   21 o   65.339   0.7397  4150.54   93.707  4063.43  135.117  4231.25  130.070   64.676   1.0762   66.002   1.0152 -1.325165 1.479493 
1 1 1    3   22   22 o   15.910   1.7938  248.354   53.950  287.016   80.306  216.550   72.835   17.152   2.4120   14.668   2.6557 2.483212 3.587582 
1 1 1    3   22   23 o   43.820   0.8129  1877.00   68.488  1779.13  102.665  1955.47   91.934   42.780   1.2363   44.860   1.0557 -2.079643 1.625717 
1 1 1    3   22   24 o   29.915   1.0767  865.105   62.314  955.059   92.609  790.683   84.236   31.326   1.5229   28.503   1.5224 2.822952 2.153398 
1 1 1    3   22   25 o   91.844   0.9052  8201.12  161.283  8379.65  233.080  8037.10  223.405   92.799   1.2939   90.888   1.2663 1.911728 1.810400 
1 1 1    3   22   26 o   37.516   0.9527  1368.28   68.397  1389.81  106.413  1353.12   89.283   37.755   1.4520   37.277   1.2339 0.4783516 1.905411 
1 1 1    3   22   27 o   57.239   0.8039  3193.80   88.792  3175.46  132.846  3208.61  119.374   57.079   1.1990   57.400   1.0714 -0.3214645 1.607895 
1 1 1    3   22   28 o   19.643   1.5983  379.856   60.277  395.311   93.093  368.699   79.096   19.960   2.4026   19.325   2.1085 0.6350403 3.196610 
1 1 1    3   22   29 o   12.561   2.4138  163.159   59.666  203.039   94.730  136.934   76.819   13.735   3.5328   11.387   3.2903 2.348247 4.827697 
1 1 1    3   22   30 o   31.111   1.1863  977.043   69.686  855.046  107.748  1064.77   91.368   29.328   1.8926   32.895   1.4309 -3.566717 2.372646 
1 1 1    3   22   31 o   16.390   2.2194  290.153   67.655  292.210  101.655  288.518   90.646   16.351   3.3162   16.430   2.9506 -0.7860184E-01 4.438829 
1 1 1    3   22   32 o   25.551   1.9691  688.627   97.147  678.651  144.107  696.938  131.526   25.268   2.9380   25.835   2.6226 -0.5672188 3.938285 
1 1 1    3   23    0 o  318.470   1.9543 98414.01  1165.45 98207.32  1465.59 98769.53  1922.14  318.036   2.3739  318.905   3.1050 -0.8684998 3.908520 
1 1 1    3   23    1 o   79.356   0.8826  6109.23  135.862  6023.12  188.189  6202.97  196.346   78.772   1.2307   79.939   1.2653 -1.167229 1.765121 
1 1 1    3   23    2 o   85.879   0.9139  7159.13  152.346  7257.87  215.742  7060.92  215.160   86.470   1.2853   85.288   1.2996 1.181343 1.827823 
1 1 1    3   23    3 o   67.187   0.8044  4381.77  104.902  4388.08  147.714  4375.33  149.002   67.236   1.1318   67.138   1.1433 0.9780884E-01 1.608723 
1 1 1    3   23    4 o  136.683   1.0981 17951.12  276.925 17557.02  340.287 18723.91  476.517  134.488   1.3035  138.878   1.7676 -4.390640 2.196207 
1 1 1    3   23    5 o  210.757   1.3378 43042.24  527.451 42820.94  661.889 43427.29  873.077  210.024   1.6235  211.491   2.1266 -1.467026 2.675516 
1 1 1    3   23    6 o  202.195   1.3223 39721.31  499.686 39803.34  627.346 39578.96  826.435  202.488   1.5960  201.902   2.1086 0.5864410 2.644567 
1 1 1    3   23    7 o  105.256   0.9529 10662.12  185.166 10461.99  227.863 11051.21  317.721  103.817   1.1307  106.696   1.5340 -2.878868 1.905701 
1 1 1    3   23    8 o  152.821   1.1907 22676.36  338.926 22685.35  423.419 22660.32  565.442  152.868   1.4269  152.773   1.9067 0.9480286E-01 2.381463 
1 1 1    3   23    9 o  210.545   1.3809 42976.13  544.223 42796.92  683.667 43286.11  899.169  209.957   1.6774  211.133   2.1939 -1.176331 2.761719 
1 1 1    3   23   10 o  120.491   1.0651 14071.94  238.419 14017.62  296.582 14171.19  400.852  120.167   1.2714  120.815   1.7092 -0.6484451 2.130258 
1 1 1    3   23   11 o  141.802   1.0956 19477.59  295.652 19297.82  381.298 19748.61  468.181  140.988   1.3932  142.616   1.6911 -1.628601 2.191118 
1 1 1    3   23   12 o  241.048   1.3548 56357.41  629.394 55841.12  839.527 57020.03  951.068  239.797   1.8035  242.299   2.0221 -2.501587 2.709518 
1 1 1    3   23   13 o  129.084   1.0881 16176.62  266.589 16159.26  342.690 16203.22  424.267  129.004   1.3685  129.165   1.6921 -0.1610107 2.176227 
1 1 1    3   23   14 o  140.560   0.9678 19181.18  263.644 19243.04  384.009 19126.03  362.608  140.773   1.4053  140.347   1.3310 0.4252930 1.935524 
1 1 1    3   23   15 o  228.725   1.2325 50865.04  545.556 50224.85  800.846 51419.38  745.219  227.373   1.8144  230.078   1.6686 -2.704544 2.465024 
1 1 1    3   23   16 o   25.860   0.9263  647.522   46.264  668.206   69.460  631.030   62.024   26.229   1.3642   25.490   1.2535 0.7386112 1.852669 
1 1 1    3   23   17 o  106.322   1.0375 11056.20  207.337 11288.49  263.731 10680.30  335.491  107.807   1.2602  104.836   1.6486 2.970764 2.075075 
1 1 1    3   23   18 o   50.501   0.8350  2496.07   76.106  2425.06  134.388  2529.60   92.341   49.962   1.3857   51.041   0.9320 -1.078739 1.669929 
1 1 1    3   23   19 o   66.189   0.7040  4254.60   90.244  4256.32  132.141  4253.11  123.542   66.200   1.0283   66.178   0.9617 0.2230072E-01 1.407913 
1 1 1    3   23   20 o   86.901   0.8383  7336.78  141.402  7278.13  200.320  7395.03  199.628   86.554   1.1923   87.248   1.1787 -0.6932449 1.676546 
1 1 1    3   23   21 o   43.701   0.7658  1862.06   64.718  1708.15   92.696  2008.42   90.397   41.931   1.1388   45.471   1.0241 -3.540565 1.531597 
1 1 1    3   23   22 o   89.025   0.8429  7703.08  145.609  7681.94  208.461  7723.22  203.474   88.904   1.2079   89.146   1.1758 -0.2416992 1.685715 
1 1 1    3   23   23 o   53.560   0.7694  2783.41   79.795  2849.80  117.690  2726.92  108.558   54.148   1.1197   52.972   1.0557 1.176167 1.538897 
1 1 1    3   23   24 f   50.054   0.8056  2436.00   78.166  2428.99  113.488  2442.33  107.816   49.984   1.1697   50.125   1.1081 -0.1414413 1.611172 
1 1 1    3   23   25 o   47.092   0.8429  2160.84   76.283  2133.15  115.979  2181.96  101.271   46.817   1.2762   47.366   1.1014 -0.5490265 1.685743 
1 1 1    3   23   26 o   12.440   2.4610  156.109   61.616  185.366   93.324  133.499   82.040   13.390   3.5375   11.491   3.4224 1.899195 4.922085 
1 1 1    3   23   27 o   67.356   0.8038  4418.17  104.778  4456.25  154.578  4385.81  142.513   67.614   1.1777   67.097   1.0942 0.5169373 1.607557 
1 1 1    3   23   28 o   10.009   2.4796   79.242   60.722  145.951   96.400   35.365   78.181   11.912   3.7419   8.1054   3.2546 3.806608 4.959208 
1 1 1    3   23   29 o   13.118   2.3964  190.105   61.618  149.767   98.318  216.198   79.075   11.910   3.7834   14.325   2.9422 -2.414854 4.792778 
1 1 1    3   23   30 o   18.536   1.8887  347.728   65.131  453.259   98.884  266.861   86.561   21.176   2.4056   15.897   2.9124 5.278844 3.777449 
1 1 1    3   23   31 o   21.171   1.7249  465.284   69.387  415.153  105.687  503.262   91.990   20.023   2.7192   22.320   2.1231 -2.297499 3.449868 
1 1 1    3   23   32 o   19.569   2.6885  439.376   97.997  435.109  154.352  442.258  126.840   18.986   4.2893   20.152   3.2425 -1.166079 5.376977 
1 1 1    3   24    0 o  415.920   1.9984 167936.91  1612.38 166639.80  2236.11 169341.70  2327.11  414.251   2.7808  417.589   2.8708 -3.338074 3.996766 
1 1 1    3   24    1 o   72.094   0.8177  5045.36  114.426  5090.20  161.538  5000.21  162.108   72.415   1.1492   71.772   1.1635 0.6430969 1.635355 
1 1 1    3   24    2 o  483.190   2.0933 226658.30  1962.04 224703.59  2719.04 228781.91  2834.01  481.022   2.9120  485.358   3.0080 -4.336365 4.186574 
1 1 1    3   24    3 o   47.033   0.6621  2145.14   60.416  2060.68   84.030  2235.52   86.927   46.076   0.9395   47.991   0.9331 -1.914875 1.324136 
1 1 1    3   24    4 o  263.950   1.4580 67625.13  722.231 67576.10  911.384 67707.88  1184.12  263.832   1.7795  264.068   2.3100 -0.2357483 2.915981 
1 1 1    3   24    5 o  219.482   1.3538 46764.54  557.268 46751.52  702.640 46786.63  914.929  219.449   1.6494  219.516   2.1471 -0.6626892E-01 2.707534 
1 1 1    3   24    6 o  160.841   1.2021 25062.62  360.621 24927.99  450.685 25302.23  601.249  160.247   1.4488  161.435   1.9186 -1.188293 2.404216 
1 1 1    3   24    7 o  130.057   1.0917 16437.08  263.678 16477.14  328.365 16364.36  442.432  130.285   1.2984  129.830   1.7555 0.4541321 2.183486 
1 1 1    3   24    8 o  141.199   1.1480 19282.98  301.536 19104.25  375.204 19608.94  506.706  140.284   1.3778  142.115   1.8368 -1.830887 2.296100 
1 1 1    3   24    9 o  136.730   1.1326 18046.38  287.442 17803.41  356.351 18498.88  486.316  135.424   1.3556  138.035   1.8150 -2.610352 2.265296 
1 1 1    3   24   10 o  142.845   1.1684 19749.05  309.916 19599.88  384.959 20023.80  522.458  142.088   1.3957  143.602   1.8742 -1.514557 2.336823 
1 1 1    3   24   11 o   26.767   0.9500  684.070   48.164  646.267   60.988  746.716   78.512   25.801   1.2177   27.733   1.4584 -1.931496 1.899921 
1 1 1    3   24   12 o  151.138   1.1478 22186.81  331.238 22209.08  431.291 22154.77  517.211  151.237   1.4691  151.038   1.7641 0.1987610 2.295679 
1 1 1    3   24   13 o  102.455   0.9696 10178.32  185.572 10139.88  232.480 10245.84  308.075  102.195   1.1719  102.715   1.5451 -0.5201645 1.939256 
1 1 1    3   24   14 o   62.157   0.7506  3717.04   87.331  3627.05  109.185  3876.85  145.503   61.124   0.9202   63.190   1.1862 -2.065510 1.501276 
1 1 1    3   24   15 f  162.305   1.2001 25637.98  372.652 25867.33  488.494 25318.69  576.355  163.189   1.5421  161.422   1.8393 1.766312 2.400239 
1 1 1    3   24   16 o   80.747   0.7371  6335.54  115.431  6204.83  165.705  6458.77  160.889   79.936   1.0679   81.557   1.0162 -1.621185 1.474157 
1 1 1    3   24   17 o  152.603   1.0915 22623.31  323.286 22944.20  461.707 22314.66  452.814  153.663   1.5479  151.542   1.5393 2.121796 2.182956 
1 1 1    3   24   18 o   91.324   0.8295  8102.59  146.973  8040.54  210.993  8161.08  204.847   90.983   1.1947   91.665   1.1512 -0.6819992 1.659076 
1 1 1    3   24   19 o   18.859   1.3802  353.874   49.262  271.879   71.239  429.014   68.196   16.712   2.1960   21.006   1.6724 -4.294138 2.760311 
1 1 1    3   24   20 o   33.542   0.8770  1094.52   56.979  1070.05   82.845  1116.49   78.493   33.185   1.2861   33.900   1.1928 -0.7150497 1.754063 
1 1 1    3   24   21 o   83.839   0.8186  6825.24  133.032  6907.63  193.858  6751.91  182.893   84.315   1.1844   83.363   1.1302 0.9516525 1.637146 
1 1 1    3   24   22 o   80.728   0.8140  6330.08  127.240  6375.17  187.049  6291.25  173.591   80.993   1.1897   80.464   1.1114 0.5281448 1.628061 
1 1 1    3   24   23 o   35.799   0.9048  1247.53   62.464  1233.79   93.610  1258.55   83.866   35.617   1.3539   35.980   1.2008 -0.3634834 1.809685 
1 1 1    3   24   24 o   81.802   0.8415  6501.11  133.475  6620.29  194.023  6394.04  183.908   82.510   1.2114   81.094   1.1683 1.416840 1.682949 
1 1 1    3   24   25 o   61.568   1.0108  3748.63  114.526  3877.36  142.408  3512.93  192.694   63.127   1.1621   60.010   1.6542 3.116116 2.021585 
1 1 1    3   24   26 o   61.319   0.8095  3659.96   96.099  3677.26  141.242  3645.03  131.131   61.447   1.1841   61.191   1.1040 0.2562065 1.618911 
1 1 1    3   24   27 o   28.248   1.1347  791.099   60.528  733.622   95.538  829.637   78.231   27.350   1.7995   29.147   1.3827 -1.796726 2.269384 
1 1 1    3   24   28 o   30.459   1.1454  904.921   65.936  939.778  107.009  883.587   83.717   30.890   1.7846   30.029   1.4362 0.8606091 2.290735 
1 1 1    3   24   29 o   11.336   2.6136  137.728   65.918   82.119  121.473  160.939   78.478   10.411   4.0969   12.260   3.2464 -1.848279 5.227146 
1 1 1    3   24   30 o   20.339   1.6646  426.617   63.557  379.952  100.135  458.099   82.248   19.269   2.6771   21.410   1.9790 -2.140598 3.329151 
1 1 1    3   24   31 o   26.717   1.3423  706.346   68.557  772.573  108.492  662.321   88.456   27.688   2.0186   25.746   1.7699 1.941557 2.684626 
1 1 1    3   24   32 f   19.446   2.5824  437.573   93.901  369.373  139.134  494.621  127.252   17.497   4.1578   21.394   3.0641 -3.897453 5.164892 
1 1 1    3   25    0 o  137.233   1.2423 18283.19  330.949 18315.87  467.233 18250.29  468.836  137.357   1.7523  137.110   1.7615 0.2462769 2.484677 
1 1 1    3   25    1 o  109.617   1.0768 11661.91  229.104 11830.46  327.024 11499.44  321.063  110.394   1.5260  108.839   1.5196 1.555305 2.153629 
1 1 1    3   25    2 o  119.462   1.1495 13854.88  266.550 13927.59  375.352 13780.91  378.586  119.778   1.6143  119.146   1.6369 0.6327133 2.299027 
1 1 1    3   25    3 o  157.148   1.2984 23970.77  396.023 23744.06  553.991 24207.71  566.334  156.388   1.8249  157.907   1.8476 -1.518997 2.596872 
1 1 1    3   25    4 o  126.090   1.0271 15458.15  241.369 15521.93  302.067 15345.48  401.444  126.453   1.2306  125.727   1.6449 0.7266769 2.054248 
1 1 1    3   25    5 o  266.444   1.4707 68740.07  735.616 68197.75  927.013 69662.27  1208.85  265.040   1.8018  267.848   2.3250 -2.807770 2.941437 
1 1 1    3   25    6 o  179.940   1.2969 31413.61  435.331 31358.72  544.689 31510.69  724.311  179.729   1.5612  180.150   2.0712 -0.4213104 2.593713 
1 1 1    3   25    7 o  129.815   1.1019 16279.77  264.991 16095.40  327.921 16626.76  449.857  128.765   1.3119  130.865   1.7709 -2.099503 2.203887 
1 1 1    3   25    8 o  328.797   1.6088 104749.50  994.680 104064.70  1257.13 105896.10  1626.58  327.382   1.9781  330.212   2.5376 -2.829437 3.217508 
1 1 1    3   25    9 o  268.440   1.5166 69843.63  764.177 69460.70  963.422 70493.30  1254.86  267.466   1.8556  269.413   2.3995 -1.946289 3.033246 
1 1 1    3   25   10 o  140.456   1.1807 19135.03  308.307 19086.68  383.991 19222.74  517.197  140.214   1.4108  140.697   1.8937 -0.4839630 2.361430 
1 1 1    3   25   11 o  131.536   1.1162 16801.24  273.798 16805.47  342.580 16793.77  455.544  131.566   1.3414  131.505   1.7845 0.6079102E-01 2.232453 
1 1 1    3   25   12 o  202.273   1.2987 39731.16  504.789 39673.69  667.964 39807.68  770.783  202.113   1.7025  202.433   1.9615 -0.3197174 2.597316 
1 1 1    3   25   13 o  153.459   1.1702 22897.16  343.143 23017.13  448.076 22727.01  533.607  153.954   1.4993  152.963   1.7971 0.9911652 2.340405 
1 1 1    3   25   14 o  128.947   1.1043 16144.98  269.760 16131.32  345.611 16166.27  431.536  128.886   1.3814  129.007   1.7232 -0.1212158 2.208545 
1 1 1    3   25   15 o   45.531   0.7718  1991.93   66.559  1921.35   84.574  2106.79  107.882   44.484   0.9794   46.578   1.1932 -2.093304 1.543662 
1 1 1    3   25   16 o  153.077   1.2749 22748.39  368.369 22661.26  468.663 22889.24  595.850  152.718   1.5809  153.435   2.0005 -0.7167816 2.549784 
1 1 1    3   25   17 o   61.410   0.7914  3640.19   92.109  3562.15  117.531  3764.41  148.288   60.566   0.9997   62.254   1.2271 -1.687950 1.582737 
1 1 1    3   25   18 o   47.563   0.8262  2181.60   73.889  2135.45   93.062  2260.30  121.536   46.891   1.0224   48.234   1.2980 -1.342243 1.652328 
1 1 1    3   25   19 o   55.218   0.8065  2974.93   84.304  3023.08  108.353  2901.06  134.199   55.792   1.0005   54.644   1.2652 1.147934 1.612931 
1 1 1    3   25   20 o   55.910   0.7129  3039.97   77.215  2968.76  112.012  3104.44  106.587   55.284   1.0438   56.536   0.9712 -1.252125 1.425716 
1 1 1    3   25   21 o  152.705   1.2621 22704.52  371.213 22612.26  560.310 22776.71  495.579  152.402   1.8940  153.008   1.6685 -0.6053619 2.524101 
1 1 1    3   25   22 o   89.371   0.8667  7751.43  150.140  7976.75  219.370  7552.88  205.926   90.588   1.2475   88.153   1.2034 2.435143 1.733320 
1 1 1    3   25   23 o   26.146   1.2093  673.207   60.070  625.733   93.302  706.818   78.506   25.340   1.8968   26.952   1.5005 -1.612095 2.418581 
1 1 1    3   25   24 o   95.177   0.9170  8812.40  169.305  8816.91  244.135  8808.23  234.993   95.196   1.3211   95.158   1.2722 0.3855133E-01 1.834064 
1 1 1    3   25   25 o   42.007   0.8769  1710.76   70.761  1767.07  108.919  1669.64   93.080   42.594   1.3173   41.420   1.1577 1.174519 1.753709 
1 1 1    3   25   26 o   64.407   0.7889  4036.42   98.297  4075.83  145.429  4003.27  133.378   64.688   1.1581   64.126   1.0715 0.5621719 1.577777 
1 1 1    3   25   27 o   35.715   0.9614  1238.47   65.788  1290.87  102.461  1201.71   85.813   36.338   1.4526   35.092   1.2597 1.246143 1.922736 
1 1 1    3   25   28 o   29.598   1.1249  861.429   63.544  858.556   99.240  863.425   82.726   29.522   1.7317   29.674   1.4362 -0.1519737 2.249774 
1 1 1    3   25   29 o   35.301   1.0043  1235.77   67.816  1150.71  102.999  1300.86   90.101   34.176   1.5525   36.426   1.2743 -2.249542 2.008514 
1 1 1    3   25   30 o   23.024   1.9478  579.373   79.485  442.849  132.876  655.447   99.188   20.466   3.3446   25.582   1.9973 -5.116449 3.895631 
1 1 1    3   25   31 o   16.658   2.4657  317.239   78.460  403.294  107.122  217.645  115.241   19.635   2.8105   13.680   4.0520 5.954859 4.931301 
1 1 1    3   25   32 o   21.945   2.4225  518.758   99.047  679.132  157.333  413.471  127.479   24.885   3.2570   19.006   3.5868 5.879114 4.844901 
1 1 1    3   26    0 o   54.637   0.7085  2898.14   75.118  2923.46  105.207  2871.80  107.289   54.880   0.9876   54.393   1.0161 0.4871178 1.416967 
1 1 1    3   26    1 o  177.709   1.3822 30659.82  476.669 30621.51  665.968 30700.07  682.561  177.596   1.9318  177.822   1.9774 -0.2264404 2.764373 
1 1 1    3   26    2 o  201.475   1.4836 39396.36  580.075 38765.80  808.990 40063.63  832.202  199.817   2.0857  203.134   2.1105 -3.316452 2.967177 
1 1 1    3   26    3 o  276.199   1.6537 74079.13  886.469 74342.15  1242.86 73806.77  1264.74  276.699   2.3139  275.699   2.3632 1.000610 3.307408 
1 1 1    3   26    4 o  242.829   1.5792 57204.34  743.671 56183.15  1025.84 58335.46  1079.65  240.548   2.1969  245.109   2.2691 -4.561127 3.158362 
1 1 1    3   26    5 o  182.995   1.2832 32359.18  437.490 31978.40  545.157 33048.06  733.246  181.496   1.5474  184.493   2.0474 -2.996811 2.566353 
1 1 1    3   26    6 o  220.464   1.3978 47072.05  576.737 46744.10  723.809 47642.36  954.496  219.426   1.6993  221.503   2.2199 -2.077164 2.795625 
1 1 1    3   26    7 o  114.487   1.0060 12665.71  212.925 12535.05  262.953 12914.52  362.870  113.636   1.1921  115.337   1.6208 -1.700691 2.011925 
1 1 1    3   26    8 o  105.457   1.0973 10793.32  224.593 10613.83  314.048 10981.22  321.323  104.560   1.5473  106.354   1.5564 -1.794113 2.194633 
1 1 1    3   26    9 o   27.182   1.0704  706.307   55.949  798.663   86.700  640.401   73.240   28.681   1.5573   25.683   1.4691 2.997988 2.140831 
1 1 1    3   26   10 o  130.199   1.1283 16275.67  271.345 15879.13  333.657 17050.13  466.292  127.890   1.3440  132.508   1.8128 -4.617332 2.256673 
1 1 1    3   26   11 o  101.628   0.9744  9940.17  185.031  9712.70  230.843 10348.92  309.451  100.021   1.1889  103.235   1.5442 -3.214088 1.948862 
1 1 1    3   26   12 f  167.060   1.2133 27001.20  386.468 26556.70  499.574 27663.67  609.879  165.365   1.5563  168.756   1.8617 -3.390350 2.426549 
1 1 1    3   26   13 o   28.413   0.9314  787.233   50.008  798.997   64.047  768.860   80.040   28.687   1.1501   28.138   1.4654 0.5489864 1.862820 
1 1 1    3   26   14 o  116.541   1.0277 13126.26  226.179 12917.51  287.146 13467.48  367.125  115.335   1.2826  117.748   1.6062 -2.412613 2.055429 
1 1 1    3   26   15 o  155.528   1.2149 23563.01  360.528 23824.77  469.956 23188.62  562.038  156.598   1.5460  154.458   1.8745 2.140091 2.429798 
1 1 1    3   26   16 o  109.699   1.0114 11658.12  208.883 11558.29  264.355 11824.05  340.810  109.088   1.2484  110.310   1.5916 -1.222511 2.022776 
1 1 1    3   26   17 o  124.572   1.1028 15071.42  259.171 15043.99  329.597 15115.86  419.498  124.441   1.3644  124.702   1.7330 -0.2615509 2.205645 
1 1 1    3   26   18 o   96.617   0.9777  9107.83  179.641  9261.74  232.922  8881.89  282.217   97.640   1.2289   95.594   1.5209 2.046539 1.955301 
1 1 1    3   26   19 o   60.482   0.8506  3510.06   96.015  3400.69  119.387  3710.33  161.556   59.171   1.0394   61.792   1.3469 -2.620338 1.701292 
1 1 1    3   26   20 o   32.542   1.0656  1008.28   65.967  930.443   83.968  1133.79  106.620   30.939   1.3981   34.145   1.6086 -3.205868 2.131260 
1 1 1    3   26   21 o   21.915   1.4438  468.712   61.315  486.210   85.339  450.041   88.153   22.342   1.9677   21.489   2.1133 0.8529243 2.887542 
1 1 1    3   26   22 o   97.696   1.0659  9307.50  196.244  9375.67  249.737  9197.44  317.303   98.194   1.3102   97.198   1.6817 0.9957581 2.131846 
1 1 1    3   26   23 o   95.854   1.0890  8983.94  195.532  9103.24  247.006  8783.70  320.004   96.747   1.3152   94.962   1.7360 1.785095 2.177947 
1 1 1    3   26   24 o   44.413   0.9774  1927.65   83.069  1968.03  109.334  1872.50  127.760   44.977   1.2523   43.849   1.5010 1.127857 1.954779 
1 1 1    3   26   25 o   44.840   0.9895  1968.45   84.732  2011.22  110.997  1908.70  131.172   45.444   1.2582   44.236   1.5276 1.208687 1.979063 
1 1 1    3   26   26 o   44.662   0.9523  1951.03   82.011  1992.15  110.452  1900.51  122.432   45.203   1.2588   44.122   1.4295 1.080727 1.904695 
1 1 1    3   26   27 o   26.059   1.4242  663.866   71.590  626.303   95.058  713.092  108.819   25.228   1.9411   26.891   2.0847 -1.663006 2.848451 
1 1 1    3   26   28 o   22.183   1.6675  489.292   70.480  373.076   95.841  626.157  104.007   19.271   2.5621   25.096   2.1350 -5.825041 3.335033 
1 1 1    3   26   29 o   26.336   1.4778  690.324   75.094  676.726  100.424  707.571  113.102   26.078   1.9838   26.594   2.1909 -0.5157814 2.955615 
1 1 1    3   26   30 o   15.684   2.4261  265.811   74.491  171.430  101.908  374.101  109.159   12.422   3.8384   18.946   2.9682 -6.523951 4.852134 
1 1 1    3   26   31 o   12.748   3.0974  183.642   89.966  212.628  149.682  167.249  112.569   13.372   4.6775   12.124   4.0617 1.247770 6.194857 
1 1 1    3   27    0 o  138.203   1.1269 18471.91  293.533 18253.82  371.846 18832.52  478.157  137.128   1.3969  139.278   1.7686 -2.150238 2.253714 
1 1 1    3   27    1 o  137.648   1.2326 18389.45  329.284 18193.69  459.822 18595.51  471.763  136.896   1.7303  138.399   1.7560 -1.502945 2.465287 
1 1 1    3   27    2 o  206.598   1.4771 41436.03  592.289 41140.12  829.108 41744.41  846.404  205.845   2.0749  207.351   2.1028 -1.505310 2.954206 
1 1 1    3   27    3 o  154.112   1.3245 23061.05  396.146 23201.76  555.635 22915.58  564.950  154.590   1.8516  153.633   1.8943 0.9573669 2.648942 
1 1 1    3   27    4 o   87.372   0.9825  7400.41  166.508  7678.96  241.218  7146.89  230.129   88.940   1.3972   85.804   1.3817 3.136444 1.964952 
1 1 1    3   27    5 o  126.239   1.0779 15432.17  251.605 15344.36  311.107 15598.21  427.781  125.726   1.2747  126.753   1.7386 -1.027344 2.155847 
1 1 1    3   27    6 o  107.177   1.0798 11108.66  223.685 10717.42  300.580 11594.24  334.866  105.071   1.4737  109.283   1.5785 -4.211922 2.159531 
1 1 1    3   27    7 o  185.309   1.3247 33253.81  459.993 33010.30  578.266 33673.39  759.075  184.396   1.6155  186.223   2.0998 -1.826431 2.649383 
1 1 1    3   27    8 o  232.960   1.4485 52511.50  632.670 51978.35  795.393 53429.84  1043.90  231.371   1.7710  234.548   2.2928 -3.177292 2.897093 
1 1 1    3   27    9 o  194.257   1.3751 36575.46  497.693 36398.33  621.232 36892.86  831.599  193.616   1.6529  194.898   2.1981 -1.282364 2.750201 
1 1 1    3   27   10 o  280.356   1.5679 76009.27  823.131 75068.77  1032.54 77649.13  1363.42  278.018   1.9132  282.694   2.4846 -4.675964 3.135832 
1 1 1    3   27   11 o   33.054   0.8839  1062.88   55.960  1048.03   86.174  1073.71   73.588   32.853   1.3512   33.255   1.1399 -0.4020462 1.767846 
1 1 1    3   27   12 o  192.899   1.2862 36199.89  476.746 36547.15  632.532 35743.16  725.413  193.983   1.6798  191.815   1.9482 2.167709 2.572394 
1 1 1    3   27   13 o   91.831   0.9298  8196.94  159.497  8219.25  200.146  8158.10  264.021   92.008   1.1206   91.654   1.4840 0.3544235 1.859548 
1 1 1    3   27   14 o  144.683   1.1703 20365.71  321.346 20473.31  413.688 20202.01  510.261  145.181   1.4679  144.185   1.8231 0.9953613 2.340597 
1 1 1    3   27   15 o   99.930   0.9592  9700.09  179.754  9700.87  226.649  9698.78  295.115   99.945   1.1682   99.914   1.5216 0.3099823E-01 1.918332 
1 1 1    3   27   16 o  101.797   0.9847 10033.36  188.209  9935.35  237.135 10200.18  309.381  101.139   1.2078  102.454   1.5556 -1.315155 1.969461 
1 1 1    3   27   17 o   41.130   0.7987  1646.61   63.034  1667.16   83.358  1619.16   96.328   41.433   1.0364   40.827   1.2154 0.6053314 1.597341 
1 1 1    3   27   18 o   30.696   1.0406  923.440   60.548  953.882   78.375  878.381   95.355   31.333   1.2886   30.058   1.6342 1.274971 2.081127 
1 1 1    3   27   19 o   98.825   1.0831  9550.80  201.353  9731.04  256.318  9260.32  325.400  100.070   1.3195   97.579   1.7179 2.490692 2.166157 
1 1 1    3   27   20 o   75.422   0.9139  5567.88  129.505  5691.71  164.704  5367.36  209.602   76.541   1.1085   74.303   1.4532 2.238579 1.827741 
1 1 1    3   27   21 o   73.532   0.9127  5233.94  125.931  5170.95  158.438  5342.01  207.522   72.948   1.1189   74.116   1.4424 -1.168251 1.825477 
1 1 1    3   27   22 o   78.341   0.9506  5954.46  139.821  5912.08  176.298  6026.32  229.557   77.986   1.1646   78.696   1.5027 -0.7097549 1.901130 
1 1 1    3   27   23 o   65.962   0.9314  4267.06  115.554  4379.68  147.369  4087.27  186.192   67.121   1.1311   64.804   1.4801 2.316345 1.862796 
1 1 1    3   27   24 o   37.072   1.2464  1352.89   88.830  1225.58  130.979  1461.31  120.876   35.427   1.9046   38.718   1.6083 -3.290974 2.492825 
1 1 1    3   27   25 o   47.804   1.1451  2255.67  103.620  2113.52  163.048  2351.98  134.207   46.492   1.8067   49.116   1.4076 -2.624016 2.290300 
1 1 1    3   27   26 o   21.048   1.6624  436.016   67.670  423.579   91.323  451.160  100.774   20.728   2.2696   21.368   2.4295 -0.6400452 3.324744 
1 1 1    3   27   27 o   20.512   1.7310  413.777   68.262  341.183   91.881  503.206  101.980   18.504   2.5580   22.521   2.3327 -4.017418 3.461940 
1 1 1    3   27   28 o   33.780   1.1171  1124.12   72.926  991.399  101.854  1263.71  104.461   31.710   1.6547   35.850   1.5011 -4.140596 2.234115 
1 1 1    3   27   29 o   25.105   1.5379  634.751   74.158  657.058   99.146  606.425  111.727   25.672   1.9895   24.537   2.3457 1.135250 3.075790 
1 1 1    3   27   30 o   13.380   2.5476  192.643   74.474   81.956  102.551  316.154  108.329   9.7887   3.7891   16.972   3.4065 -7.183445 5.095241 
1 1 1    3   27   31 o   8.5110   2.6669 -11.8049   86.954   46.868  134.415 -54.0280  114.027   9.6013   4.0938   7.4207   3.4191 2.180604 5.333786 
1 1 1    3   28    0 o   87.319   0.8439  7335.71  136.269  7190.93  167.976  7614.40  233.055   86.071   1.0054   88.566   1.3556 -2.495056 1.687710 
1 1 1    3   28    1 o  156.486   1.3354 23774.87  405.654 23872.61  572.990 23676.66  574.375  156.808   1.8824  156.163   1.8948 0.6451721 2.670868 
1 1 1    3   28    2 o   75.075   0.8834  5466.20  128.604  5370.00  177.177  5573.33  186.963   74.378   1.2272   75.772   1.2711 -1.394684 1.766810 
1 1 1    3   28    3 o  111.970   1.9460 12167.24  422.685 11928.51  584.923 12428.14  611.496  110.823   2.7190  113.118   2.7848 -2.295227 3.892046 
1 1 1    3   28    4 o  139.120   1.2549 18777.59  338.630 18473.32  468.310 19111.02  490.234  137.940   1.7489  140.300   1.8000 -2.359436 2.509772 
1 1 1    3   28    5 o  128.221   1.0918 15910.09  259.832 15790.02  322.582 16131.89  438.441  127.538   1.3030  128.903   1.7522 -1.365013 2.183561 
1 1 1    3   28    6 o  239.443   1.4594 55626.98  654.545 55506.18  823.386 55834.37  1078.89  239.104   1.7740  239.783   2.3179 -0.6796722 2.918846 
1 1 1    3   28    7 o  200.334   1.3726 38898.57  514.221 38702.23  644.985 39241.09  851.874  199.654   1.6642  201.014   2.1832 -1.360580 2.745130 
1 1 1    3   28    8 f  108.011   1.0252 11292.96  203.815 11221.78  250.716 11431.67  349.980  107.515   1.2013  108.507   1.6616 -0.9911346 2.050354 
1 1 1    3   28    9 o   84.735   0.8794  6990.81  137.776  7037.55  170.887  6904.00  232.892   85.144   1.0339   84.326   1.4227 0.8182907 1.758753 
1 1 1    3   28   10 o  128.623   1.2444 16065.82  310.687 15903.29  436.275 16233.05  442.548  127.963   1.7563  129.283   1.7634 -1.319504 2.488858 
1 1 1    3   28   11 o   60.991   0.7647  3612.85   87.505  3616.84  110.432  3606.13  143.447   61.038   0.9320   60.943   1.2126 0.9479904E-01 1.529362 
1 1 1    3   28   12 o  123.586   1.0593 14793.67  247.474 14664.36  315.261 15001.29  399.459  122.892   1.3215  124.281   1.6558 -1.388847 2.118517 
1 1 1    3   28   13 o   19.225   1.3089  351.777   48.299  310.716   62.853  410.988   75.476   17.883   1.8106   20.566   1.8906 -2.683191 2.617713 
1 1 1    3   28   14 o  151.924   1.1882 22399.86  344.411 22278.75  446.955 22576.89  540.379  151.435   1.5205  152.413   1.8265 -0.9785156 2.376494 
1 1 1    3   28   15 o  105.439   1.0038 10804.07  198.559 10815.43  250.548 10784.88  325.575  105.526   1.2231  105.353   1.5920 0.1734848 2.007595 
1 1 1    3   28   16 o   15.844   1.7137  236.443   51.481  210.100   64.895  281.165   84.555   14.694   2.2751   16.993   2.5633 -2.298644 3.427375 
1 1 1    3   28   17 o   49.543   0.7954  2367.55   73.393  2326.50   91.303  2442.51  123.381   48.946   0.9610   50.141   1.2676 -1.195156 1.590701 
1 1 1    3   28   18 o   28.504   1.0698  797.547   58.340  844.097   77.645  737.197   88.409   29.473   1.3571   27.536   1.6540 1.937288 2.139519 
1 1 1    3   28   19 o   20.044   1.5575  390.929   59.991  388.638   79.304  393.994   91.726   19.980   2.0447   20.108   2.3499 -0.1275806 3.114956 
1 1 1    3   28   20 o   40.557   0.8728  1603.63   68.087  1638.25   90.909  1559.40  102.756   41.061   1.1405   40.053   1.3216 1.007999 1.745694 
1 1 1    3   28   21 o   22.706   1.4804  508.477   63.998  538.179   84.236  467.926   98.425   23.510   1.8458   21.902   2.3150 1.608131 2.960805 
1 1 1    3   28   22 o   59.723   0.8915  3484.10  100.448  3538.01  128.334  3398.83  161.388   60.335   1.0957   59.111   1.4065 1.224186 1.782935 
1 1 1    3   28   23 o   57.430   0.9070  3200.49   98.206  3176.32  124.602  3240.12  159.562   57.159   1.1230   57.701   1.4246 -0.5418701 1.813981 
1 1 1    3   28   24 o   33.888   1.4577  1119.12   95.890  1119.12   95.890   0.0000   0.0000   33.888   1.4577  ?   ?       ?      ? 
1 1 1    3   28   25 o   28.384   1.2489  788.571   68.757  808.380   96.124  767.818   98.390   28.755   1.7221   28.013   1.8093 0.7412643 2.497874 
1 1 1    3   28   26 o   20.685   1.7249  420.885   68.914  400.704   92.134  446.516  103.830   20.139   2.3568   21.232   2.5192 -1.093393 3.449784 
1 1 1    3   28   27 o   12.519   2.5260  166.280   65.648  201.896   90.060  125.899   95.897   13.805   3.3864   11.234   3.7489 2.570555 5.051953 
1 1 1    3   28   28 o   14.328   2.4187  221.429   66.999  174.367   93.837  270.371   95.693   12.706   3.6260   15.950   3.2019 -3.244065 4.837335 
1 1 1    3   28   29 o   36.747   1.1629  1334.24   82.822  1296.19  113.397  1377.75  121.255   36.199   1.6137   37.294   1.6749 -1.094467 2.325853 
1 1 1    3   28   30 o   13.964   2.7065  221.073   74.997  215.032   99.069  229.183  114.781   13.814   3.6424   14.113   4.0043 -0.2990313 5.413079 
1 1 1    3   28   31 o   10.902   2.8197  129.827   81.828   32.872  147.711  172.755   98.287   9.6082   4.1942   12.196   3.7697 -2.587673 5.639338 
1 1 1    3   29    0 o  284.318   1.6055 78426.30  877.942 77979.23  1163.76 79016.80  1337.49  283.388   2.1155  285.249   2.4155 -1.860962 3.210902 
1 1 1    3   29    1 o  121.088   1.2107 14228.34  284.455 14019.60  395.519 14451.99  409.400  120.169   1.6956  122.007   1.7286 -1.838348 2.421364 
1 1 1    3   29    2 f  293.278   1.7099 83534.93  973.334 83954.66  1367.92 83104.49  1385.25  294.026   2.3967  292.530   2.4395 1.495453 3.419795 
1 1 1    3   29    3 o  294.246   1.7183 84082.05  981.111 84117.88  1369.00 84044.24  1406.77  294.312   2.3962  294.179   2.4635 0.1333923 3.436661 
1 1 1    3   29    4 o  407.146   1.9135 160899.91  1510.98 158709.09  2087.53 163310.70  2189.84  404.241   2.6603  410.051   2.7511 -5.809143 3.826978 
1 1 1    3   29    5 o  317.453   1.6018 97746.75  955.972 97396.56  1208.56 98332.10  1562.51  316.715   1.9658  318.192   2.5297 -1.476410 3.203696 
1 1 1    3   29    6 o  187.699   1.3267 34208.61  465.579 34205.61  584.509 34213.84  770.061  187.699   1.6042  187.700   2.1135 -0.6713867E-03 2.653352 
1 1 1    3   29    7 o  148.613   1.2236 21335.83  336.504 21089.01  415.885 21803.81  572.644  147.383   1.4536  149.843   1.9687 -2.459183 2.447232 
1 1 1    3   29    8 o  180.560   1.3350 31482.67  449.798 31027.03  561.274 32300.54  751.988  178.758   1.6175  182.362   2.1243 -3.604813 2.669993 
1 1 1    3   29    9 o   74.728   0.8137  5406.95  112.411  5374.24  138.948  5468.91  191.243   74.405   0.9620   75.051   1.3127 -0.6465607 1.627466 
1 1 1    3   29   10 o   46.473   0.7564  2072.82   66.332  1999.08   83.758  2196.86  108.636   45.379   0.9508   47.568   1.1765 -2.189201 1.512708 
1 1 1    3   29   11 o   75.536   0.8411  5457.63  116.582  5296.25  142.183  5788.73  203.658   73.861   0.9917   77.211   1.3588 -3.349861 1.682188 
1 1 1    3   29   12 o  122.260   1.1185 14495.61  253.518 14443.49  314.599 14592.15  428.149  121.959   1.3289  122.560   1.7996 -0.6014175 2.237069 
1 1 1    3   29   13 o  204.474   1.3562 40483.40  530.957 39746.89  692.908 41530.97  826.373  202.250   1.7649  206.697   2.0596 -4.447174 2.712325 
1 1 1    3   29   14 o   70.047   0.8068  4771.98  105.349  4790.60  131.878  4739.15  175.130   70.241   0.9672   69.852   1.2916 0.3890457 1.613575 
1 1 1    3   29   15 o   59.833   0.7515  3494.09   84.976  3555.82  108.931  3398.13  135.818   60.515   0.9273   59.150   1.1829 1.364693 1.503022 
1 1 1    3   29   16 o   39.007   0.8045  1474.41   59.707  1460.83   76.955  1494.93   94.636   38.785   1.0221   39.230   1.2427 -0.4448738 1.609079 
1 1 1    3   29   17 o   59.803   0.7823  3484.49   88.115  3518.71  112.099  3429.15  142.543   60.194   0.9594   59.412   1.2360 0.7819977 1.564607 
1 1 1    3   29   18 f   71.430   0.8725  4949.52  116.587  4928.59  146.341  4985.89  192.895   71.233   1.0583   71.627   1.3873 -0.3937759 1.744917 
1 1 1    3   29   19 o   77.198   0.9058  5780.53  131.445  5748.12  166.085  5834.86  215.040   76.921   1.1123   77.475   1.4299 -0.5546112 1.811543 
1 1 1    3   29   20 f   43.328   0.9097  1813.82   75.003  1770.77   96.391  1879.88  119.408   42.687   1.1633   43.970   1.3990 -1.283169 1.819430 
1 1 1    3   29   21 o   49.806   0.9166  2405.14   87.231  2373.84  113.405  2450.49  136.511   49.418   1.1822   50.195   1.4010 -0.7764664 1.833136 
1 1 1    3   29   22 o   30.770   1.1817  921.863   70.468  920.958   96.925  922.877  102.633   30.757   1.6234   30.783   1.7176 -0.2641487E-01 2.363369 
1 1 1    3   29   23 o   30.087   1.2006  881.180   70.029  862.383   96.178  902.391  102.165   29.748   1.6655   30.426   1.7298 -0.6774464 2.401267 
1 1 1    3   29   24 f   9.9239   2.6477   72.593   70.184   92.644   96.392   49.969  102.391   10.409   3.7425   9.4388   3.7463 0.9702396 5.295387 
1 1 1    3   29   25 o   15.540   2.2507  238.061   66.702  165.090   87.829  337.501  102.528   12.636   3.4732   18.445   2.8636 -5.808871 4.501458 
1 1 1    3   29   26 o   18.318   1.9178  332.390   67.517  323.185   88.898  344.937  103.788   18.048   2.5375   18.588   2.8764 -0.5399075 3.835692 
1 1 1    3   29   27 o   9.9984   2.5932   87.909   65.800   89.760   89.689   85.751   96.831   9.9754   3.6069   10.021   3.7268 -0.4601574E-01 5.186429 
1 1 1    3   29   28 o   33.657   1.2035  1131.60   77.494  1211.09  103.663  1030.90  116.675   35.072   1.5227   32.243   1.8641 2.828316 2.406953 
1 1 1    3   29   29 o   24.549   1.5683  603.077   74.243  571.093   98.504  645.144  112.968   23.837   2.1288   25.261   2.3037 -1.424301 3.136699 
1 1 1    3   29   30 o   12.130   2.8728  165.302   79.693  173.903  107.773  154.925  118.377   12.388   3.9639   11.872   4.1593 0.5160685 5.745651 
1 1 1    3   29   31 o   12.009   3.0131  150.504   84.396  240.815  147.628  106.659  102.862   13.820   4.6513   10.198   3.8315 3.622133 6.026218 
1 1 1    3   30    0 o  305.780   1.6647 90429.91  977.460 88383.66  1284.38 93246.18  1506.78  301.697   2.1931  309.864   2.5050 -8.166779 3.329392 
1 1 1    3   30    1 o  431.433   1.9510 180712.59  1632.97 178735.91  2265.07 182851.91  2356.39  428.982   2.7200  433.885   2.7977 -4.902679 3.902050 
1 1 1    3   30    2 o  123.057   1.1900 14701.47  284.260 14698.84  400.160 14704.16  403.874  123.046   1.6753  123.068   1.6906 -0.2195740E-01 2.380085 
1 1 1    3   30    3 o  192.551   1.5020 36010.63  561.254 36626.66  789.527 35381.30  798.007  194.217   2.0942  190.885   2.1536 3.332733 3.003948 
1 1 1    3   30    4 o   93.802   1.0450  8527.62  190.097  8219.94  261.830  8870.59  276.440   92.016   1.4658   95.588   1.4898 -3.572029 2.090034 
1 1 1    3   30    5 o  143.383   1.3124 19928.54  364.862 19283.50  501.539 20653.68  531.771  140.923   1.8334  145.842   1.8783 -4.919159 2.624792 
1 1 1    3   30    6 o   59.139   0.7383  3359.59   80.218  3287.98   98.136  3503.80  139.259   58.200   0.8686   60.077   1.1941 -1.877060 1.476635 
1 1 1    3   30    7 o  101.742   0.9716 10034.08  183.120  9997.45  227.016 10102.30  309.822  101.480   1.1524  102.003   1.5647 -0.5219879 1.943298 
1 1 1    3   30    8 o  132.556   1.1423 17161.14  280.627 17400.00  349.664 16728.84  470.401  133.870   1.3456  131.243   1.8464 2.627090 2.284678 
1 1 1    3   30    9 o   94.180   0.9390  8591.24  163.605  8542.87  202.428  8682.33  277.820   93.804   1.1117   94.555   1.5136 -0.7510910 1.877993 
1 1 1    3   30   10 o  215.486   1.4415 45009.20  581.361 44724.32  729.822 45503.80  961.667  214.583   1.7521  216.389   2.2894 -1.805847 2.882925 
1 1 1    3   30   11 o  126.737   1.1363 15671.46  268.748 15864.79  337.631 15337.17  443.977  127.820   1.3608  125.654   1.8202 2.166405 2.272617 
1 1 1    3   30   12 o   23.928   1.0071  561.807   46.245  606.795   62.556  507.593   68.672   24.997   1.2892   22.860   1.5475 2.137156 2.014174 
1 1 1    3   30   13 o  130.686   1.1071 16579.82  273.810 16533.60  349.965 16652.76  439.652  130.466   1.3819  130.907   1.7301 -0.4404907 2.214254 
1 1 1    3   30   14 o  105.527   1.0174 10828.71  201.096 10858.15  253.294 10778.51  330.740  105.734   1.2341  105.320   1.6178 0.4140854 2.034727 
1 1 1    3   30   15 o   72.414   0.8302  5054.81  111.464  4966.68  137.892  5220.94  189.333   71.517   0.9933   73.311   1.3304 -1.793732 1.660308 
1 1 1    3   30   16 o  124.894   1.1587 15187.68  268.297 15244.69  333.594 15083.26  451.467  125.256   1.3720  124.532   1.8676 0.7240982 2.317377 
1 1 1    3   30   17 o   59.815   0.8121  3470.76   91.424  3456.16  115.776  3494.94  149.010   59.654   0.9998   59.976   1.2799 -0.3217354 1.624104 
1 1 1    3   30   18 o  118.860   1.1758 13786.10  263.998 13948.87  337.650 13530.10  423.449  119.793   1.4520  117.927   1.8498 1.866005 2.351608 
1 1 1    3   30   19 o   65.277   0.8749  4154.72  107.692  4200.29  137.294  4081.85  173.622   65.754   1.0756   64.801   1.3803 0.9529953 1.749884 
1 1 1    3   30   20 o   58.408   0.8787  3297.62   96.992  3238.01  123.234  3394.67  157.230   57.727   1.0997   59.089   1.3708 -1.361656 1.757391 
1 1 1    3   30   21 o   90.754   1.0200  8009.55  173.687  7999.75  219.105  8026.11  284.922   90.707   1.2444   90.802   1.6165 -0.9469604E-01 2.039954 
1 1 1    3   30   22 o   38.703   1.0066  1442.13   74.513  1373.07   96.415  1544.56  117.416   37.571   1.3220   39.835   1.5184 -2.263355 2.013283 
1 1 1    3   30   23 o   43.677   0.9718  1847.80   81.163  1804.27  105.442  1911.08  127.144   43.060   1.2615   44.294   1.4787 -1.234707 1.943677 
1 1 1    3   30   24 o   37.150   1.0700  1342.10   76.172  1320.71   99.669  1372.14  118.110   36.809   1.3949   37.491   1.6229 -0.6814919 2.140007 
1 1 1    3   30   25 o   32.275   1.1694  1017.85   72.065  1011.90   93.706  1026.46  112.745   32.182   1.5000   32.367   1.7944 -0.1848717 2.338793 
1 1 1    3   30   26 o   15.435   2.3637  251.661   68.744  280.715   94.351  218.785  100.364   16.477   3.0625   14.392   3.6012 2.084940 4.727327 
1 1 1    3   30   27 o   29.623   1.2858  865.253   72.993  856.491   95.698  877.441  112.872   29.484   1.6720   29.762   1.9537 -0.2777252 2.571506 
1 1 1    3   30   28 o   27.826   1.4067  767.693   75.736  736.731  102.297  805.250  112.665   27.226   1.9356   28.426   2.0418 -1.200336 2.813429 
1 1 1    3   30   29 o   11.176   2.4990  116.614   68.942  225.982  100.159   18.141   95.039   14.242   3.6163   8.1107   3.4499 6.131331 4.997907 
1 1 1    3   30   30 o   10.015   2.7301   90.428   76.927  124.083   99.936   41.487  120.511   10.802   3.8184   9.2271   3.9029 1.575258 5.460125 
1 1 1    3   31    0 o  149.724   1.2329 21692.36  346.155 21488.20  435.367 22043.22  570.746  148.776   1.5075  150.673   1.9514 -1.897202 2.465862 
1 1 1    3   31    1 o  121.292   1.1912 14283.41  280.474 14266.39  396.772 14300.41  396.530  121.220   1.6862  121.364   1.6831 -0.1445160 2.382465 
1 1 1    3   31    2 o  275.564   1.6918 73756.64  904.884 74175.11  1271.67 73327.42  1287.89  276.358   2.3705  274.771   2.4146 1.587006 3.383697 
1 1 1    3   31    3 o  117.430   1.1762 13379.64  268.003 13093.90  372.226 13687.21  386.185  116.130   1.6512  118.731   1.6756 -2.601273 2.352451 
1 1 1    3   31    4 o  129.225   1.2596 16215.11  315.904 16651.19  448.097 15784.22  445.426  130.953   1.7627  127.498   1.7997 3.455803 2.519192 
1 1 1    3   31    5 o   81.746   0.9895  6487.71  157.007  6501.35  221.499  6473.94  222.587   81.832   1.3944   81.660   1.4042 0.1728668 1.978902 
1 1 1    3   31    6 o   20.954   1.2599  442.894   47.728  477.355   59.093  378.236   80.945   22.174   1.3729   19.734   2.1131 2.439886 2.519888 
1 1 1    3   31    7 o  156.642   1.2563 23860.19  366.767 23940.46  458.919 23718.27  610.191  157.020   1.5056  156.264   2.0116 0.7565613 2.512654 
1 1 1    3   31    8 o   75.753   0.8190  5606.45  115.363  5696.35  144.410  5447.88  191.783   76.601   0.9712   74.905   1.3190 1.696068 1.637945 
1 1 1    3   31    9 o  226.876   1.4865 50059.19  633.067 50198.86  799.897 49825.04  1035.69  227.331   1.8126  226.421   2.3564 0.9095001 2.972911 
1 1 1    3   31   10 o   35.973   0.8167  1254.66   55.216  1249.48   69.769  1263.35   90.328   35.875   1.0019   36.071   1.2900 -0.1956482 1.633365 
1 1 1    3   31   11 o   29.001   4.3692  943.654   67.788  948.133   68.386  690.742  513.840   31.249   1.1274   26.752   8.6654 4.496933 8.738469 
1 1 1    3   31   12 o   24.582   1.0914  582.685   51.173  564.616   66.002  609.916   81.024   24.110   1.4103   25.055   1.6660 -0.9447746 2.182708 
1 1 1    3   31   13 o  202.674   1.3432 39939.04  521.507 39985.60  684.529 39874.62  805.096  202.840   1.7385  202.508   2.0480 0.3322906 2.686421 
1 1 1    3   31   14 o  148.084   1.2007 21349.41  338.426 21498.79  438.330 21128.93  532.512  148.747   1.5181  147.421   1.8608 1.326279 2.401496 
1 1 1    3   31   15 o  104.371   1.0143 10585.16  198.691 10588.01  250.834 10580.35  325.527  104.404   1.2377  104.338   1.6072 0.6624603E-01 2.028558 
1 1 1    3   31   16 o   54.453   0.7633  2899.85   78.724  2975.17  101.536  2786.34  124.651   55.350   0.9450   53.556   1.1990 1.794125 1.526646 
1 1 1    3   31   17 o  127.811   1.2813 15960.67  305.388 16151.50  383.307 15629.02  505.318  128.901   1.5319  126.721   2.0542 2.179474 2.562525 
1 1 1    3   31   18 o   34.784   0.9955  1200.11   65.510  1310.29   86.141  1048.98  100.886   36.723   1.2084   32.845   1.5823 3.877819 1.990984 
1 1 1    3   31   19 o   19.593   1.6538  359.125   60.887  253.135   78.494  519.229   96.473   16.105   2.5108   23.082   2.1531 -6.977354 3.307586 
1 1 1    3   31   20 o   70.755   0.9017  4853.05  120.003  4812.44  151.673  4921.02  196.223   70.373   1.1103   71.136   1.4210 -0.7626801 1.803326 
1 1 1    3   31   21 o   62.995   0.8756  3849.13  105.068  3811.82  135.744  3904.87  165.940   62.625   1.1166   63.364   1.3491 -0.7395439 1.751255 
1 1 1    3   31   22 o   54.471   0.8896  2869.80   91.997  2811.15  117.802  2961.49  147.289   53.772   1.1286   55.169   1.3753 -1.396584 1.779110 
1 1 1    3   31   23 o   46.219   0.9522  2092.42   84.194  2157.17  111.063  2004.93  129.100   47.079   1.2153   45.359   1.4662 1.719917 1.904374 
1 1 1    3   31   24 o   62.568   0.9276  3806.90  109.815  3777.71  140.178  3853.27  176.685   62.287   1.1594   62.850   1.4482 -0.5631790 1.855106 
1 1 1    3   31   25 o   22.246   1.5758  481.526   67.504  407.409   90.285  575.485  101.655   20.321   2.2888   24.172   2.1665 -3.851053 3.151542 
1 1 1    3   31   26 o   14.355   2.3343  216.423   63.846  186.968   88.579  248.271   92.107   13.304   3.4132   15.406   3.1852 -2.102144 4.668541 
1 1 1    3   31   27 o   26.936   1.3813  719.332   72.059  708.612   98.327  731.768  105.908   26.738   1.8945   27.135   2.0106 -0.3977242 2.762531 
1 1 1    3   31   28 o   9.4883   2.3796   22.274   69.645 -121.1348   95.532  184.949  101.747   5.9892   2.8699   12.987   3.7965 -6.998205 4.759150 
1 1 1    3   31   29 o   19.153   2.1597  392.686   77.172  416.652  103.227  362.319  116.195   20.112   2.6441   18.194   3.4155 1.918144 4.319311 
1 1 1    3   31   30 o   14.037   2.8139  238.692   88.990  106.315  134.733  341.131  118.523   10.765   4.2896   17.308   3.6430 -6.542716 5.627779 
1 1 1    3   32    0 o  175.672   1.3504 29981.83  450.936 30040.37  581.820 29893.77  713.611  175.895   1.7040  175.449   2.0953 0.4464874 2.700722 
1 1 1    3   32    1 f   96.090   0.9606  8966.03  172.503  8971.67  216.472  8956.21  285.536   96.135   1.1600   96.046   1.5315 0.8915710E-01 1.921219 
1 1 1    3   32    2 o   26.978   0.9647  710.831   50.135  748.860   68.004  665.549   74.206   27.774   1.2613   26.183   1.4600 1.591394 1.929420 
1 1 1    3   32    3 o   60.130   0.8407  3509.97   98.123  3502.95  138.525  3517.04  139.011   60.070   1.1880   60.191   1.1897 -0.1206551 1.681301 
1 1 1    3   32    4 o  218.766   1.5878 46486.30  674.169 46558.36  945.304 46411.71  961.745  218.939   2.2242  218.591   2.2665 0.3481140 3.175598 
1 1 1    3   32    5 o  128.490   1.2606 16034.60  314.373 16220.49  442.963 15845.95  446.237  129.242   1.7656  127.740   1.7996 1.502129 2.521111 
1 1 1    3   32    6 o  211.374   1.4173 43219.74  560.851 42731.74  703.499 44070.84  929.063  209.764   1.7277  212.983   2.2472 -3.218719 2.834548 
1 1 1    3   32    7 o   92.858   0.9162  8311.22  156.117  8188.58  191.035  8557.82  270.879   91.840   1.0716   93.876   1.4865 -2.036491 1.832440 
1 1 1    3   32    8 o   90.850   0.9259  8035.38  155.664  8084.82  193.243  7944.02  262.700   91.255   1.0909   90.445   1.4963 0.8094559 1.851719 
1 1 1    3   32    9 f   70.293   0.8062  4769.42  105.052  4704.98  130.040  4890.46  178.238   69.617   0.9623   70.969   1.2938 -1.352692 1.612406 
1 1 1    3   32   10 o   32.656   0.8610  1027.41   53.145  1001.34   67.427  1070.16   86.351   32.115   1.0816   33.197   1.3400 -1.082439 1.722045 
1 1 1    3   32   11 o  173.729   1.3612 29368.58  441.195 29464.33  552.823 29200.63  732.206  174.151   1.6353  173.307   2.1765 0.8439484 2.722346 
1 1 1    3   32   12 o   81.581   0.8680  6476.57  131.466  6508.12  163.783  6419.43  220.431   81.868   1.0306   81.293   1.3969 0.5748138 1.735901 
1 1 1    3   32   13 o   82.180   0.8904  6600.66  137.345  6725.50  174.248  6395.87  223.182   83.220   1.0786   81.140   1.4170 2.080589 1.780797 
1 1 1    3   32   14 o   65.437   0.7908  4167.47   97.327  4195.01  123.456  4122.25  158.197   65.728   0.9676   65.145   1.2510 0.5824661 1.581522 
1 1 1    3   32   15 o   76.151   0.8772  5664.56  124.491  5747.08  156.231  5521.02  206.047   76.925   1.0463   75.377   1.4082 1.547897 1.754328 
1 1 1    3   32   16 o   43.257   0.8215  1808.35   66.845  1780.74   84.348  1854.97  109.603   42.820   1.0148   43.694   1.2922 -0.8747253 1.643035 
1 1 1    3   32   17 o  152.564   1.3893 22633.38  404.309 22555.05  524.779 22747.78  634.193  152.277   1.7753  152.852   2.1374 -0.5747833 2.778539 
1 1 1    3   32   18 o  139.255   1.3128 18901.79  347.254 19018.23  447.903 18726.33  549.794  139.833   1.6501  138.677   2.0423 1.155212 2.625644 
1 1 1    3   32   19 o   55.727   0.8392  3003.68   88.962  2947.76  114.380  3089.32  141.540   55.080   1.0698   56.373   1.2934 -1.293087 1.678490 
1 1 1    3   32   20 f   65.600   0.8838  4222.79  109.887  4377.51  142.364  3994.74  172.840   67.114   1.0928   64.086   1.3894 3.027260 1.767608 
1 1 1    3   32   21 o   48.646   0.9026  2271.27   83.738  2150.69  107.540  2456.98  133.460   47.034   1.1779   50.258   1.3680 -3.223461 1.805196 
1 1 1    3   32   22 o   56.088   0.9038  3076.67   96.231  3140.56  124.474  2981.74  151.717   56.831   1.1283   55.346   1.4122 1.484695 1.807558 
1 1 1    3   32   23 o   27.325   1.2824  729.657   68.004  726.033   97.037  733.155   95.331   27.256   1.8341   27.393   1.7928 -0.1375656 2.564716 
1 1 1    3   32   24 o   50.150   0.9308  2453.83   89.661  2463.03  118.632  2441.58  136.925   50.277   1.2155   50.024   1.4101 0.2531128 1.861677 
1 1 1    3   32   25 o   25.354   1.4174  643.569   68.398  713.097   91.668  556.240  102.735   26.966   1.7512   23.741   2.2292 3.225090 2.834782 
1 1 1    3   32   26 o   19.029   1.7913  355.920   65.446  293.080   86.804  438.693   99.624   17.098   2.6153   20.960   2.4485 -3.861895 3.582575 
1 1 1    3   32   27 o   39.353   1.0430  1523.12   79.017  1520.37  105.187  1526.67  119.711   39.346   1.3772   39.360   1.5668 -0.1377106E-01 2.086013 
1 1 1    3   32   28 f   8.9054   2.5414   37.003   72.121   98.121   97.969 -35.3070  106.562   10.220   3.7583   7.5903   3.4219 2.630250 5.082748 
1 1 1    3   32   29 o   14.904   2.4027  260.887   76.593  401.543  102.935   86.398  114.648   19.693   2.6927   10.115   3.9801 9.577416 4.805455 
1 1 1    3   32   30 o   32.101   1.5544  1042.07   96.066  1174.17  147.909  945.685  126.342   33.791   2.2549   30.410   2.1402 3.380714 3.108896 
1 1 1    3   33    0 o  188.502   1.3998 34542.39  502.585 34691.95  651.484 34322.57  789.861  189.017   1.7756  187.987   2.1645 1.029343 2.799592 
1 1 1    3   33    1 o   77.324   0.8452  5830.22  120.516  5888.20  149.149  5721.14  204.559   77.883   0.9865   76.765   1.3727 1.117851 1.690462 
1 1 1    3   33    2 o  202.674   1.5692 39888.15  617.178 39513.67  860.498 40284.88  885.691  201.696   2.1978  203.652   2.2404 -1.955887 3.138428 
1 1 1    3   33    3 o  120.042   1.2007 13992.65  279.763 13701.19  394.487 14287.56  396.813  118.784   1.7108  121.300   1.6852 -2.516052 2.401455 
1 1 1    3   33    4 o  102.538   1.1215 10212.34  223.166 10430.46  314.387  9990.81  316.835  103.643   1.5626  101.434   1.6091 2.209190 2.243016 
1 1 1    3   33    5 o   81.361   0.9964  6422.32  157.301  6618.11  226.482  6239.86  218.638   82.558   1.4132   80.164   1.4050 2.393776 1.992798 
1 1 1    3   33    6 o  174.411   1.3339 29453.36  433.726 29209.88  541.399 29889.60  724.686  173.427   1.6082  175.394   2.1285 -1.966873 2.667706 
1 1 1    3   33    7 o  181.658   1.3563 32141.59  459.247 32362.42  575.237 31753.43  762.643  182.543   1.6234  180.772   2.1733 1.770889 2.712682 
1 1 1    3   33    8 o  112.494   1.0694 12319.05  224.339 12397.26  281.135 12181.94  372.231  112.995   1.2817  111.993   1.7122 1.002594 2.138793 
1 1 1    3   33    9 o  123.395   1.1269 14792.78  257.764 14803.05  320.170 14773.86  434.559  123.468   1.3359  123.322   1.8153 0.1466293 2.253836 
1 1 1    3   33   10 o  166.241   1.3358 26836.44  414.272 26787.51  518.361 26922.95  689.222  166.059   1.6081  166.424   2.1334 -0.3648529 2.671598 
1 1 1    3   33   11 o   89.042   0.9311  7732.26  153.679  7808.43  191.340  7593.80  257.960   89.672   1.0992   88.413   1.5030 1.259766 1.862102 
1 1 1    3   33   12 o   84.712   0.9131  7010.92  143.643  7113.37  179.457  6828.23  239.633   85.587   1.0802   83.836   1.4725 1.751106 1.826177 
1 1 1    3   33   13 o   72.391   0.8259  5135.95  112.302  5282.29  143.015  4900.59  181.373   73.754   0.9989   71.027   1.3155 2.727394 1.651765 
1 1 1    3   33   14 o   45.593   0.7909  1991.19   67.357  1921.20   83.787  2119.07  113.254   44.479   0.9704   46.706   1.2491 -2.226746 1.581786 
1 1 1    3   33   15 o   69.143   0.8296  4649.50  106.818  4663.60  133.519  4624.42  178.040   69.297   0.9926   68.989   1.3295 0.3081131 1.659120 
1 1 1    3   33   16 o  139.033   1.2360 18822.54  328.560 18937.29  429.715 18661.05  509.787  139.568   1.5861  138.498   1.8962 1.070297 2.472090 
1 1 1    3   33   17 o   61.828   0.8326  3717.13   96.878  3726.60  122.851  3701.55  157.542   61.940   1.0217   61.717   1.3150 0.2238388 1.665295 
1 1 1    3   33   18 o  110.863   1.1295 12002.87  235.884 12158.10  300.435 11753.38  380.878  111.831   1.3840  109.895   1.7854 1.936287 2.259005 
1 1 1    3   33   19 o   51.894   0.8573  2615.60   84.069  2609.66  107.190  2625.09  135.509   51.826   1.0655   51.963   1.3434 -0.1368370 1.714650 
1 1 1    3   33   20 o   43.986   0.9194  1891.06   77.613  1951.64  103.281  1812.45  117.637   44.806   1.1875   43.166   1.4039 1.640842 1.838759 
1 1 1    3   33   21 o   49.478   0.9167  2387.58   87.033  2425.75  115.205  2336.82  132.837   49.948   1.1882   49.007   1.3964 0.9407654 1.833467 
1 1 1    3   33   22 o   63.656   0.9174  3957.58  110.488  4006.11  141.716  3882.36  176.436   64.176   1.1376   63.137   1.4396 1.039883 1.834802 
1 1 1    3   33   23 o   63.313   0.9333  3924.96  111.872  3996.07  143.901  3816.31  177.864   64.070   1.1570   62.557   1.4647 1.513424 1.866565 
1 1 1    3   33   24 o   64.936   0.9426  4104.72  114.876  4078.11  144.790  4149.93  188.721   64.695   1.1529   65.177   1.4916 -0.4821014 1.885265 
1 1 1    3   33   25 o   23.909   1.5405  550.657   70.522  448.509   92.308  693.869  109.299   21.301   2.2324   26.517   2.1233 -5.216265 3.080931 
1 1 1    3   33   26 o   12.681   2.3671  167.438   68.003  284.456   94.176   39.949   98.299   16.493   3.0541   8.8702   3.6175 7.622510 4.734284 
1 1 1    3   33   27 o   19.724   1.7930  391.619   68.533  371.378   93.694  414.911  100.506   19.183   2.5161   20.264   2.5550 -1.081100 3.585930 
1 1 1    3   33   28 o   14.094   2.4937  221.069   69.015  267.212   96.522  172.801   98.719   15.690   3.2749   12.498   3.7614 3.192304 4.987306 
1 1 1    3   33   29 o   37.155   1.2260  1382.68   87.260  1402.23  115.056  1356.19  133.880   37.556   1.5782   36.754   1.8765 0.8015900 2.451907 
1 1 1    3   33   30 o   8.1714   2.6039 -23.7443   88.841 -85.6170  135.519   22.886  117.647   7.6692   3.5980   8.6736   3.7651 -1.004422 5.207836 
1 1 1    3   34    0 o  119.153   1.0877 13802.47  242.422 13849.48  304.811 13721.56  399.909  119.436   1.3147  118.870   1.7331 0.5660324 2.175346 
1 1 1    3   34    1 o   25.334   1.0879  639.120   50.938  681.247   64.231  567.724   83.619   26.490   1.2491   24.178   1.7816 2.311090 2.175877 
1 1 1    3   34    2 o  123.848   1.2582 14894.71  302.391 14841.08  422.018 14951.30  433.504  123.620   1.7586  124.076   1.7999 -0.4564590 2.516409 
1 1 1    3   34    3 o   87.992   1.0337  7507.12  176.439  7847.85  255.308  7195.60  244.114   89.901   1.4630   86.084   1.4609 3.816917 2.067456 
1 1 1    3   34    4 o  195.103   1.5455 36988.11  585.273 37457.64  826.230 36515.21  829.180  196.348   2.1678  193.858   2.2034 2.489136 3.090997 
1 1 1    3   34    5 o  108.751   1.1953 11486.03  252.321 11401.80  355.077 11571.94  358.622  108.349   1.6882  109.154   1.6925 -0.8052597 2.390558 
1 1 1    3   34    6 o  111.691   1.0672 12207.92  221.281 12443.44  276.696 11790.02  368.579  113.206   1.2591  110.176   1.7234 3.030609 2.134342 
1 1 1    3   34    7 o   56.343   0.7480  3127.90   79.104  3278.25  101.205  2891.80  126.821   58.111   0.8972   54.575   1.1971 3.536541 1.495987 
1 1 1    3   34    8 o   76.622   0.8505  5718.81  120.065  5759.27  148.352  5641.98  204.415   77.021   0.9922   76.223   1.3815 0.7975922 1.700929 
1 1 1    3   34    9 o   53.941   2.4515  2691.86   90.732  2682.32   92.160  2992.61  517.504   52.563   0.9032   55.320   4.8191 -2.756893 4.903025 
1 1 1    3   34   10 f  102.495   1.0141 10203.75  192.405 10202.14  238.543 10206.75  325.495  102.496   1.1989  102.494   1.6360 0.1701355E-02 2.028275 
1 1 1    3   34   11 o   57.966   0.7542  3280.69   82.025  3334.55  103.937  3191.76  133.555   58.604   0.9137   57.328   1.2001 1.275921 1.508341 
1 1 1    3   34   12 o   31.283   0.9113  946.733   53.586  935.357   67.599  965.969   87.906   31.034   1.1221   31.532   1.4361 -0.4977264 1.822534 
1 1 1    3   34   13 o   88.249   0.9506  7516.80  154.708  7411.93  190.368  7720.79  265.498   87.360   1.1226   89.137   1.5344 -1.777405 1.901193 
1 1 1    3   34   14 o   71.648   0.8277  5009.92  111.308  5080.45  141.029  4893.40  181.262   72.327   1.0045   70.968   1.3158 1.359383 1.655365 
1 1 1    3   34   15 o   20.507   1.3303  398.487   51.640  364.898   65.043  455.760   84.933   19.371   1.7297   21.642   2.0217 -2.270449 2.660683 
1 1 1    3   34   16 o   62.017   0.8342  3719.26   96.186  3677.34  119.557  3796.17  161.950   61.532   1.0009   62.501   1.3348 -0.9695129 1.668435 
1 1 1    3   34   17 o   55.237   0.8353  2940.13   86.688  2870.26  108.974  3060.54  143.056   54.358   1.0327   56.117   1.3133 -1.758602 1.670691 
1 1 1    3   34   18 o   70.789   0.8921  4851.52  118.277  4798.27  148.452  4944.06  195.715   70.272   1.0883   71.305   1.4140 -1.032509 1.784272 
1 1 1    3   34   19 o   33.959   0.9821  1121.08   64.524  1115.54   87.631  1127.63   95.360   33.870   1.3328   34.048   1.4428 -0.1775742 1.964212 
1 1 1    3   34   20 o   39.427   0.9927  1508.43   75.094  1488.37   98.644  1536.06  115.805   39.122   1.2989   39.731   1.5015 -0.6090546 1.985386 
1 1 1    3   34   21 o   29.806   1.1713  861.096   67.469  821.521   90.469  910.688  101.274   29.042   1.6047   30.571   1.7066 -1.528507 2.342573 
1 1 1    3   34   22 o   46.889   0.9285  2130.11   83.339  2077.83  108.549  2205.17  130.064   46.204   1.2103   47.575   1.4084 -1.371147 1.856949 
1 1 1    3   34   23 o   54.370   0.9362  2896.56   96.347  2952.44  123.917  2811.16  153.206   55.063   1.1593   53.677   1.4704 1.386894 1.872432 
1 1 1    3   34   24 o   32.607   1.2000  1061.26   73.901  1145.77   96.533  941.606  114.865   34.245   1.4522   30.969   1.9107 3.275322 2.399910 
1 1 1    3   34   25 f   19.923   1.7628  387.791   67.374  317.218   89.122  481.915  102.924   17.831   2.5748   22.015   2.4084 -4.184147 3.525635 
1 1 1    3   34   26 f   31.326   1.1725  972.832   70.796  1023.44   96.272  913.242  104.471   32.252   1.5377   30.400   1.7704 1.852533 2.344942 
1 1 1    3   34   27 f   26.203   1.4203  688.611   71.613  723.449   96.772  646.438  106.474   26.993   1.8468   25.412   2.1584 1.581249 2.840692 
1 1 1    3   34   28 o   17.936   2.1991  342.435   74.689  349.208  102.561  334.789  108.982   18.329   2.8826   17.543   3.3219 0.7854214 4.398209 
1 1 1    3   34   29 o   16.824   2.5096  321.946   79.167  351.520  107.641  287.102  116.841   17.897   3.2166   15.752   3.8530 2.145603 5.019163 
1 1 1    3   35    0 o   76.464   0.8330  5695.26  117.329  5736.59  144.936  5616.67  199.849   76.871   0.9713   76.056   1.3536 0.8151169 1.666049 
1 1 1    3   35    1 o  117.538   1.0819 13444.06  237.816 13522.31  299.135 13309.65  392.052  118.012   1.3058  117.064   1.7253 0.9481506 2.163714 
1 1 1    3   35    2 o   53.760   2.8641  2863.12  290.599  3048.66  377.074  2591.75  456.030   55.968   3.4707   51.552   4.5570 4.415550 5.728222 
1 1 1    3   35    3 o   97.128   1.1335  9161.23  213.702  9102.34  300.038  9221.87  304.451   96.812   1.5965   97.445   1.6095 -0.6330948 2.267045 
1 1 1    3   35    4 o   67.755   0.8988  4453.71  118.165  4608.93  169.955  4308.45  164.406   68.897   1.2708   66.613   1.2714 2.283684 1.797614 
1 1 1    3   35    5 o  178.097   1.5467 30820.19  534.640 30811.38  749.398 30829.31  762.974  178.072   2.1680  178.121   2.2066 -0.4824829E-01 3.093425 
1 1 1    3   35    6 o   68.802   0.9109  4589.53  121.532  4451.37  167.381  4743.58  176.745   67.709   1.2735   69.895   1.3027 -2.186424 1.821739 
1 1 1    3   35    7 o   43.636   0.7563  1883.27   61.734  1992.59   78.848  1710.10   99.238   45.305   0.8966   41.967   1.2182 3.337982 1.512535 
1 1 1    3   35    8 o   8.6415   2.2062   54.502   46.115   38.018   57.439   84.397   77.353   7.5042   2.8531   9.7789   3.3658 -2.274690 4.412316 
1 1 1    3   35    9 o   51.584   0.7601  2592.61   73.133  2615.94   91.736  2551.94  121.142   51.907   0.9104   51.262   1.2174 0.6453781 1.520193 
1 1 1    3   35   10 o  165.142   1.3229 26283.93  405.435 25759.48  501.810 27269.89  688.046  162.824   1.5877  167.460   2.1166 -4.636078 2.645879 
1 1 1    3   35   11 o   63.714   0.7965  3969.67   93.918  4035.06  116.916  3850.72  157.691   64.464   0.9343   62.963   1.2902 1.501141 1.592957 
1 1 1    3   35   12 o  106.739   1.0639 11075.77  209.854 11088.19  259.763 11052.43  356.066  106.843   1.2525  106.634   1.7202 0.2086334 2.127817 
1 1 1    3   35   13 o  117.055   1.1141 13342.45  242.273 13403.64  302.037 13232.04  405.717  117.456   1.3247  116.654   1.7917 0.8025131 2.228212 
1 1 1    3   35   14 o  114.941   1.1307 12905.40  242.657 13075.62  305.136 12612.53  400.230  116.003   1.3551  113.880   1.8105 2.123047 2.261433 
1 1 1    3   35   15 o   20.257   1.3651  406.106   51.664  426.917   65.739  372.491   83.550   20.955   1.6161   19.559   2.2006 1.395555 2.730267 
1 1 1    3   35   16 o   55.154   0.7873  2901.13   81.693  2748.62  102.323  3169.24  135.667   53.197   0.9909   57.111   1.2237 -3.914722 1.574606 
1 1 1    3   35   17 f  117.138   1.2142 13432.34  265.214 13651.68  333.237 13053.35  438.035  118.493   1.4488  115.784   1.9489 2.708572 2.428416 
1 1 1    3   35   18 o   38.547   0.9332  1451.50   68.179  1477.99   87.866  1411.42  108.083   38.999   1.1607   38.096   1.4615 0.9022026 1.866340 
1 1 1    3   35   19 o   52.181   0.8683  2626.22   85.077  2566.61  106.896  2729.23  140.521   51.390   1.0716   52.972   1.3666 -1.581505 1.736588 
1 1 1    3   35   20 o   12.123   2.4830  134.656   65.089   66.991   86.073  225.032   99.475   9.4220   3.5118   14.823   3.5111 -5.400998 4.965940 
1 1 1    3   35   21 o   35.728   1.0836  1245.02   74.349  1254.49   98.421  1232.44  113.467   35.896   1.4125   35.560   1.6438 0.3362198 2.167274 
1 1 1    3   35   22 o   17.818   2.1400  345.070   67.684  441.679   89.364  215.089  103.656   21.227   2.1688   14.410   3.6898 6.817256 4.279924 
1 1 1    3   35   23 o   51.374   0.9506  2574.78   92.970  2576.95  120.294  2571.57  146.507   51.426   1.2050   51.323   1.4706 0.1030045 1.901217 
1 1 1    3   35   24 o   24.010   1.4907  573.774   68.568  613.633   92.004  523.976  102.836   24.992   1.8965   23.028   2.3005 1.963331 2.981404 
1 1 1    3   35   25 o   32.076   1.1422  1012.70   70.959  1039.36   97.940  983.234  102.949   32.537   1.5507   31.615   1.6775 0.9214382 2.284409 
1 1 1    3   35   26 o   24.724   1.4159  606.930   67.859  587.484   93.063  629.008   99.160   24.310   1.9721   25.137   2.0322 -0.8260994 2.831747 
1 1 1    3   35   27 o   17.801   2.2226  349.341   71.867  413.570   94.689  262.070  110.375   20.215   2.4130   15.387   3.7333 4.827972 4.445283 
1 1 1    3   35   28 o   28.758   1.4494  847.789   78.901  918.244  103.803  751.382  121.425   30.335   1.7628   27.181   2.3013 3.154419 2.898854 
1 1 1    3   35   29 o   15.902   2.9385  300.232   90.441  320.622  142.779  286.569  116.880   16.161   4.4226   15.642   3.8704 0.5190620 5.877058 
1 1 1    3   36    0 o  133.615   1.1835 17376.01  296.941 17485.21  375.717 17194.30  484.662  134.187   1.4424  133.043   1.8766 1.143906 2.366920 
1 1 1    3   36    1 o  114.761   1.1495 12724.21  239.349 12605.43  290.092 12977.51  423.612  113.939   1.3116  115.583   1.8880 -1.643845 2.298904 
1 1 1    3   36    2 o  200.553   1.4820 39107.53  565.386 39220.78  730.714 38938.60  892.482  200.936   1.8734  200.170   2.2969 0.7664185 2.963971 
1 1 1    3   36    3 o  106.196   1.1422 10954.22  235.377 11293.69  333.393 10616.85  332.357  107.838   1.5927  104.554   1.6376 3.283104 2.284326 
1 1 1    3   36    4 o  209.971   1.6374 42813.19  666.766 42139.48  920.394 43557.23  967.249  208.238   2.2769  211.703   2.3537 -3.465118 3.274773 
1 1 1    3   36    5 o  135.541   1.3638 17846.67  358.725 17813.07  501.032 17882.02  513.838  135.411   1.9061  135.670   1.9511 -0.2588654 2.727630 
1 1 1    3   36    6 o  102.316   1.1556 10168.04  229.516 10280.39  325.415 10056.82  323.762  102.879   1.6295  101.753   1.6391 1.125275 2.311255 
1 1 1    3   36    7 f  145.294   1.2403 20386.32  334.455 20094.47  414.524 20930.68  566.136  143.834   1.4846  146.754   1.9873 -2.920013 2.480633 
1 1 1    3   36    8 o   82.547   0.8937  6689.37  136.140  6857.53  169.325  6381.91  228.957   84.038   1.0380   81.055   1.4552 2.982986 1.787408 
1 1 1    3   36    9 o   97.112   1.0107  9155.85  180.722  9144.29  222.667  9178.15  309.361   97.035   1.1821   97.188   1.6398 -0.1529541 2.021461 
1 1 1    3   36   10 o   63.104   0.7954  3877.67   93.241  3903.64  116.298  3830.94  156.008   63.406   0.9449   62.802   1.2797 0.6037292 1.590726 
1 1 1    3   36   11 o  107.117   1.0500 11143.01  207.913 11130.48  257.306 11166.59  352.917  107.047   1.2383  107.186   1.6962 -0.1381531 2.100067 
1 1 1    3   36   12 o   93.488   0.9703  8458.73  168.017  8383.53  208.011  8599.89  284.990   92.906   1.1534   94.070   1.5607 -1.163712 1.940636 
1 1 1    3   36   13 f   95.359   0.9955  8794.07  175.161  8701.73  215.831  8972.23  299.799   94.646   1.1748   96.071   1.6076 -1.424667 1.991074 
1 1 1    3   36   14 o   32.764   1.1505  1059.36   71.257  968.239  111.695  1121.90   92.532   31.551   1.8237   33.977   1.4029 -2.426167 2.300901 
1 1 1    3   36   15 o   56.700   0.8024  3131.79   85.057  3155.52  106.984  3091.03  140.230   57.000   0.9669   56.401   1.2808 0.5993195 1.604803 
1 1 1    3   36   16 o  112.750   1.1319 12375.73  240.097 12414.02  304.396 12312.68  390.595  113.009   1.3876  112.491   1.7887 0.5178604 2.263829 
1 1 1    3   36   17 o   47.618   0.8435  2192.79   75.654  2159.54   95.667  2248.30  123.605   47.146   1.0453   48.090   1.3241 -0.9444199 1.686989 
1 1 1    3   36   18 o   58.453   0.8462  3326.32   92.895  3341.75  117.522  3300.62  151.659   58.645   1.0323   58.261   1.3410 0.3840523 1.692332 
1 1 1    3   36   19 f   59.901   0.8781  3496.52   98.842  3520.57  125.227  3456.79  160.979   60.188   1.0718   59.614   1.3911 0.5739708 1.756119 
1 1 1    3   36   20 o   31.427   1.1161  961.914   67.207  962.627   88.270  960.930  103.666   31.449   1.4459   31.405   1.7005 0.4432678E-01 2.232103 
1 1 1    3   36   21 o   51.732   0.9156  2604.82   90.761  2602.35  119.148  2608.24  140.093   51.715   1.1869   51.748   1.3946 -0.3353500E-01 1.831291 
1 1 1    3   36   22 o   13.686   2.5594  192.150   68.228  183.398   88.836  204.736  106.538   13.318   3.4188   14.054   3.8097 -0.7360907 5.118793 
1 1 1    3   36   23 o   40.323   1.0188  1581.91   78.293  1556.78  101.141  1619.47  123.671   39.947   1.3043   40.698   1.5654 -0.7508621 2.037568 
1 1 1    3   36   24 o   29.321   1.2252  838.074   68.884  808.312   89.950  880.279  107.116   28.717   1.6136   29.924   1.8440 -1.206507 2.450337 
1 1 1    3   36   25 o   11.615   2.5795  140.796   64.883  149.888   88.386  130.170   95.549   11.917   3.5530   11.312   3.7406 0.6043453 5.159016 
1 1 1    3   36   26 o   11.586   2.5142  119.645   69.135   26.367   91.838  241.641  105.028   8.2818   3.4486   14.890   3.6596 -6.608536 5.028440 
1 1 1    3   36   27 o   22.535   1.6928  515.874   73.359  519.717   97.662  510.899  111.127   22.701   2.2162   22.368   2.5593 0.3331852 3.385519 
1 1 1    3   36   28 o   9.7105   2.5689   64.639   75.305  161.499  101.235 -55.3526  112.677   12.002   3.8420   7.4191   3.4111 4.582697 5.137746 
1 1 1    3   36   29 o   8.0092   2.5421 -38.5204   87.892 -165.4190  138.206   47.653  113.890   6.9668   3.3669   9.0516   3.8095 -2.084839 5.084141 
1 1 1    3   37    0 o  152.471   1.2939 22582.37  372.137 22584.74  473.369 22578.53  602.121  152.496   1.5991  152.447   2.0347 0.4945374E-01 2.587883 
1 1 1    3   37    1 o  204.942   1.5125 40763.79  589.540 40579.79  760.249 41041.34  933.701  204.385   1.9162  205.500   2.3406 -1.115005 3.024959 
1 1 1    3   37    2 o  110.566   1.0725 11757.30  218.516 11516.37  268.230 12232.70  376.792  108.907   1.2688  112.224   1.7296 -3.317238 2.145083 
1 1 1    3   37    3 o   36.980   0.9200  1324.17   65.877  1462.53   95.717  1199.64   90.806   38.810   1.2705   35.149   1.3309 3.661369 1.839952 
1 1 1    3   37    4 o   63.320   0.8851  3893.19  108.780  3824.19  153.533  3962.74  154.144   62.756   1.2603   63.884   1.2430 -1.127052 1.770152 
1 1 1    3   37    5 o  108.704   1.2071 11484.25  254.597 11769.25  358.055 11192.80  362.088  110.071   1.6758  107.338   1.7378 2.732903 2.414139 
1 1 1    3   37    6 o   47.602   0.8354  2198.84   77.090  2171.88  106.005  2229.09  112.310   47.293   1.1547   47.911   1.2076 -0.6178360 1.670792 
1 1 1    3   37    7 o   52.103   0.7592  2649.85   73.759  2686.81   92.603  2585.73  121.992   52.605   0.9068   51.600   1.2179 1.005718 1.518448 
1 1 1    3   37    8 o   69.713   0.9301  4719.67  125.847  4854.00  179.113  4588.70  176.858   70.693   1.3052   68.733   1.3255 1.959808 1.860291 
1 1 1    3   37    9 o   35.464   0.8306  1218.07   55.361  1208.06   69.877  1234.95   90.729   35.272   1.0206   35.657   1.3108 -0.3851280 1.661255 
1 1 1    3   37   10 o   56.142   0.7756  3065.89   80.581  3077.10   99.970  3045.09  136.153   56.294   0.9148   55.991   1.2527 0.3036346 1.551183 
1 1 1    3   37   11 o   92.486   0.9727  8353.56  166.861  8460.19  208.046  8161.28  279.368   93.331   1.1483   91.641   1.5704 1.690277 1.945500 
1 1 1    3   37   12 o  103.898   1.0414 10497.19  199.464 10510.76  246.244 10471.29  340.155  104.017   1.2195  103.779   1.6885 0.2380371 2.082861 
1 1 1    3   37   13 f   63.909   0.8110  3968.06   96.145  3969.50  119.522  3965.42  161.843   63.933   0.9631   63.885   1.3051 0.4824829E-01 1.621944 
1 1 1    3   37   14 o   45.963   0.8131  2078.01   70.049  2157.87   89.178  1949.36  113.191   47.136   0.9746   44.790   1.3019 2.346363 1.626263 
1 1 1    3   37   15 o   18.456   1.4159  330.351   50.371  279.178   69.070  388.485   73.618   16.932   2.1014   19.980   1.8981 -3.047573 2.831769 
1 1 1    3   37   16 o   60.526   0.8320  3584.04   94.640  3659.75  120.363  3461.44  153.173   61.379   1.0102   59.674   1.3223 1.704872 1.664037 
1 1 1    3   37   17 o   46.431   0.8595  2097.87   75.091  2105.79   95.247  2084.87  122.061   46.555   1.0540   46.308   1.3579 0.2474709 1.718903 
1 1 1    3   37   18 o   17.104   1.8139  286.840   58.975  290.098   76.305  282.007   92.942   17.238   2.2804   16.969   2.8215 0.2684326 3.627830 
1 1 1    3   37   19 o   47.008   0.8807  2148.95   78.259  2149.45   99.910  2148.16  125.889   47.025   1.0945   46.991   1.3801 0.3431702E-01 1.761416 
1 1 1    3   37   20 f   90.094   1.0485  7917.51  176.465  7954.22  221.577  7853.83  291.794   90.420   1.2624   89.767   1.6745 0.6531525 2.097064 
1 1 1    3   37   21 o   37.207   1.0608  1353.55   75.701  1375.08  100.095  1324.77  115.708   37.567   1.3726   36.846   1.6177 0.7212601 2.121573 
1 1 1    3   37   22 o   40.414   1.0324  1587.18   79.165  1562.69  101.379  1625.44  126.731   40.038   1.3044   40.789   1.6006 -0.7510872 2.064769 
1 1 1    3   37   23 o   22.349   1.6398  484.918   69.824  452.535   89.309  535.834  111.986   21.433   2.1466   23.265   2.4796 -1.832170 3.279672 
1 1 1    3   37   24 o   20.890   1.8105  470.392   66.034  596.886   87.862  306.196  100.104   24.617   1.8387   17.164   3.1194 7.452877 3.620924 
1 1 1    3   37   25 o   26.558   1.3520  702.693   68.996  726.169   92.261  672.906  103.927   27.108   1.7533   26.008   2.0585 1.100502 2.703981 
1 1 1    3   37   26 f   41.144   1.0465  1653.10   82.405  1586.33  106.971  1750.56  129.236   40.173   1.3717   42.115   1.5808 -1.941681 2.093011 
1 1 1    3   37   27 o   32.025   1.2787  1017.25   78.720  982.395  103.601  1064.86  121.089   31.431   1.6980   32.619   1.9123 -1.187975 2.557389 
1 1 1    3   37   28 f   11.131   2.7883  132.309   74.999  119.654  100.244  148.399  113.034   10.668   3.8186   11.594   4.0642 -0.9257174 5.576682 
1 1 1    3   38    0 o  147.493   1.2735 21162.69  354.008 21258.82  450.218 21006.99  572.977  147.948   1.5677  147.038   2.0074 0.9100342 2.547031 
1 1 1    3   38    1 o  106.838   1.0483 11031.22  206.705 10912.97  254.746 11259.12  353.664  106.014   1.2379  107.662   1.6922 -1.648476 2.096670 
1 1 1    3   38    2 o  122.431   1.1575 14535.54  263.339 14476.36  327.683 14643.48  442.502  122.093   1.3826  122.769   1.8568 -0.6756516 2.314998 
1 1 1    3   38    3 o   88.193   1.0930  7556.38  187.077  7691.70  263.592  7419.04  265.552   88.989   1.5259   87.396   1.5653 1.593132 2.185975 
1 1 1    3   38    4 o  104.367   1.1752 10574.24  237.989 11032.26  341.386 10141.20  331.947  106.565   1.6503  102.170   1.6737 4.395515 2.350498 
1 1 1    3   38    5 o   43.423   0.8706  1830.24   73.362  1780.89  102.514  1882.04  105.031   42.823   1.2332   44.022   1.2291 -1.199436 1.741104 
1 1 1    3   38    6 o   76.824   0.9670  5731.91  144.192  5685.48  202.175  5779.99  205.709   76.507   1.3613   77.140   1.3738 -0.6327515 1.934005 
1 1 1    3   38    7 f   77.164   0.8656  5774.66  122.800  5757.45  150.994  5808.29  211.041   77.002   1.0102   77.326   1.4060 -0.3235016 1.731242 
1 1 1    3   38    8 o   39.543   0.8133  1525.41   59.395  1541.07   73.645  1496.28  100.461   39.839   0.9523   39.248   1.3186 0.5905228 1.626522 
1 1 1    3   38    9 o   42.673   0.7834  1741.33   61.767  1683.22   75.832  1855.88  106.473   41.635   0.9383   43.711   1.2548 -2.075840 1.566820 
1 1 1    3   38   10 o   84.179   1.0343  6882.96  168.979  7050.37  241.298  6721.85  236.713   85.184   1.4593   83.175   1.4661 2.008728 2.068546 
1 1 1    3   38   11 o   80.197   0.9032  6255.86  134.441  6274.06  167.342  6222.73  225.781   80.373   1.0726   80.021   1.4535 0.3522491 1.806419 
1 1 1    3   38   12 o   57.529   0.7882  3194.71   83.856  3150.02  103.498  3280.11  143.070   56.954   0.9361   58.105   1.2684 -1.151054 1.576490 
1 1 1    3   38   13 o   41.531   0.8574  1661.73   66.288  1627.57   82.347  1724.64  111.728   40.935   1.0363   42.128   1.3662 -1.192116 1.714801 
1 1 1    3   38   14 o   42.857   0.8262  1787.95   66.496  1798.49   84.136  1770.41  108.536   43.031   1.0072   42.683   1.3100 0.3480682 1.652433 
1 1 1    3   38   15 o   43.749   0.8422  1844.42   69.131  1801.70   86.752  1918.74  114.429   43.066   1.0377   44.431   1.3267 -1.364777 1.684359 
1 1 1    3   38   16 o   41.412   0.8835  1681.78   69.165  1736.48   89.081  1598.75  109.748   42.274   1.0855   40.549   1.3943 1.725620 1.767045 
1 1 1    3   38   17 o   57.695   0.8468  3229.52   91.559  3212.13  115.186  3259.36  150.897   57.496   1.0320   57.894   1.3427 -0.3986130 1.693502 
1 1 1    3   38   18 o   11.999   2.3827  126.191   59.974   63.355   76.005  229.867   97.629   8.9998   3.3102   14.998   3.4282 -5.998153 4.765483 
1 1 1    3   38   19 o   50.185   0.8995  2469.64   84.977  2535.44  108.517  2365.33  136.635   51.070   1.0946   49.300   1.4277 1.770145 1.799066 
1 1 1    3   38   20 o   33.819   1.0775  1109.80   70.020  1082.35   92.170  1147.26  107.676   33.335   1.4244   34.302   1.6171 -0.9675179 2.154948 
1 1 1    3   38   21 o   8.0740   2.4356   0.8732   66.558  -8.5406   87.310   13.934  102.841   7.5212   3.2542   8.6268   3.6248 -1.105638 4.871229 
1 1 1    3   38   22 o   57.559   0.9341  3228.27  102.390  3213.83  132.417  3249.74  161.470   57.426   1.1879   57.691   1.4418 -0.2645950 1.868138 
1 1 1    3   38   23 o   37.967   1.0585  1419.77   76.723  1467.58  100.819  1353.99  118.260   38.762   1.3399   37.173   1.6389 1.588730 2.116907 
1 1 1    3   38   24 o   25.348   1.4232  649.744   68.397  729.932   91.536  548.380  102.916   27.221   1.7323   23.474   2.2585 3.747286 2.846364 
1 1 1    3   38   25 o   11.356   2.6500  134.161   68.210  150.598   91.302  113.401  102.611   11.883   3.6266   10.830   3.8648 1.053216 5.299912 
1 1 1    3   38   26 o   7.7254   2.4026 -10.1822   69.765   0.7793   95.561 -22.6923  102.088   7.8182   3.3936   7.6325   3.4019 0.1856971 4.805161 
1 1 1    3   38   27 o   27.324   1.5074  751.832   79.814  707.147  109.114  803.256  117.051   26.458   2.1245   28.191   2.1390 -1.733143 3.014781 
1 1 1    3   38   28 o   8.6485   2.6535   12.878   84.980 -57.8251  133.241   61.358  110.333   7.9856   3.6852   9.3114   3.8190 -1.325864 5.307084 
1 1 1    3   39    0 o   66.008   0.7755  4279.72   94.537  4396.54  117.744  4067.79  158.592   67.294   0.9014   64.721   1.2623 2.573288 1.551097 
1 1 1    3   39    1 o  149.234   1.2836 21576.73  360.800 21381.38  456.870 21900.46  588.135  148.359   1.5864  150.109   2.0184 -1.749939 2.567218 
1 1 1    3   39    2 o  117.170   1.1107 13282.50  241.192 13156.18  298.771 13518.86  408.682  116.389   1.3224  117.952   1.7849 -1.563011 2.221401 
1 1 1    3   39    3 o   38.807   0.9021  1462.19   67.942  1481.34   97.245  1443.93   94.965   39.055   1.2827   38.559   1.2687 0.4959488 1.804180 
1 1 1    3   39    4 o   99.726   1.1448  9662.44  221.606  9732.86  314.763  9593.22  312.050  100.086   1.6201   99.366   1.6178 0.7203903 2.289541 
1 1 1    3   39    5 o  131.299   1.3580 16757.76  346.018 16734.39  483.458 16782.29  495.449  131.208   1.8982  131.391   1.9425 -0.1829529 2.715972 
1 1 1    3   39    6 o   17.046   1.6672  285.334   54.645  252.511   79.638  314.537   75.119   16.107   2.5471   17.984   2.1518 -1.876881 3.334324 
1 1 1    3   39    7 o   39.779   0.7699  1546.03   57.298  1572.65   72.320  1501.16   93.908   40.245   0.9257   39.314   1.2305 0.9313316 1.539858 
1 1 1    3   39    8 o   22.190   1.1999  473.433   49.999  459.022   62.724  498.549   82.807   21.735   1.4866   22.644   1.8838 -0.9090652 2.399783 
1 1 1    3   39    9 o   88.227   0.9396  7553.17  152.669  7534.65  188.088  7588.93  261.377   88.081   1.1001   88.373   1.5236 -0.2921448 1.879254 
1 1 1    3   39   10 o   70.179   0.8450  4752.81  109.446  4684.65  134.783  4884.75  187.526   69.453   0.9997   70.904   1.3625 -1.450089 1.689902 
1 1 1    3   39   11 o   18.648   1.8536  335.608   66.755  374.392  100.717  305.222   89.149   19.598   2.6474   17.697   2.5951 1.901316 3.707209 
1 1 1    3   39   12 o   28.757   1.0422  801.953   56.364  796.590   71.248  810.923   92.146   28.633   1.2819   28.880   1.6437 -0.2466145 2.084418 
1 1 1    3   39   13 o   37.266   0.9960  1350.44   71.997  1410.97  101.832  1289.93  101.807   38.103   1.3768   36.429   1.4397 1.673138 1.992021 
1 1 1    3   39   14 o   32.452   0.9761  1044.66   59.117  1108.89   75.344  941.797   95.354   33.784   1.1489   31.121   1.5784 2.663122 1.952277 
1 1 1    3   39   15 o   93.085   1.0176  8434.56  176.641  8457.47  221.169  8394.20  293.536   93.285   1.2214   92.886   1.6280 0.3981552 2.035196 
1 1 1    3   39   16 o   35.150   0.9668  1204.05   63.980  1212.84   81.294  1189.76  103.707   35.326   1.1855   34.973   1.5276 0.3529205 1.933620 
1 1 1    3   39   17 o  124.859   1.2921 15152.84  298.927 15069.82  370.606 15307.41  505.701  124.440   1.5342  125.279   2.0795 -0.8384552 2.584181 
1 1 1    3   39   18 o   49.499   0.8674  2365.85   80.724  2317.43  101.678  2448.40  132.766   48.829   1.0727   50.168   1.3633 -1.339172 1.734728 
1 1 1    3   39   19 o   56.328   0.8708  3096.85   92.449  3130.91  117.792  3042.21  149.185   56.748   1.0693   55.908   1.3746 0.8404160 1.741566 
1 1 1    3   39   20 o   15.616   2.2213  260.883   64.471  320.677   84.468  177.439   99.784   18.071   2.4079   13.160   3.7334 4.911081 4.442580 
1 1 1    3   39   21 o   33.077   1.1595  1077.11   73.671  1136.64   99.069  1003.46  110.189   34.126   1.4955   32.029   1.7723 2.097305 2.318957 
1 1 1    3   39   22 f   43.581   0.9975  1874.78   82.459  1957.76  107.253  1754.83  128.950   44.805   1.2332   42.357   1.5683 2.448048 1.995078 
1 1 1    3   39   23 o   27.989   1.2557  768.672   67.825  756.913   90.808  783.508  102.005   27.765   1.6848   28.213   1.8625 -0.4477310 2.511497 
1 1 1    3   39   24 o   8.5225   2.4421   30.875   65.591   76.272   89.230 -22.4902   96.745   9.5332   3.5712   7.5119   3.3320 2.021340 4.884194 
1 1 1    3   39   25 o   10.828   2.6222  116.527   66.619   96.443   91.568  139.112   97.102   10.127   3.6470   11.530   3.7689 -1.403450 5.244498 
1 1 1    3   39   26 o   38.210   1.0947  1433.96   80.572  1364.37  106.520  1527.02  123.177   37.167   1.4764   39.253   1.6166 -2.085503 2.189312 
1 1 1    3   39   27 f   22.286   1.7632  504.296   75.733  434.864  101.074  593.176  114.357   20.539   2.5351   24.034   2.4512 -3.494799 3.526364 
1 1 1    3   39   28 o   10.397   2.8994  103.601   86.291   75.845  137.191  121.770  110.996   10.091   4.2095   10.703   3.9882 -0.6118479 5.798726 
1 1 1    3   40    0 o  162.417   1.3883 25733.20  423.910 26011.84  537.920 25276.57  688.609  163.613   1.6937  161.220   2.2003 2.392731 2.776695 
1 1 1    3   40    1 o   32.061   0.8564  979.875   48.291  955.891   56.915  1041.52   91.246   31.377   0.9344   32.744   1.4355 -1.367369 1.712877 
1 1 1    3   40    2 f   34.638   0.8125  1163.88   50.500  1161.85   60.740  1168.43   90.883   34.593   0.9045   34.683   1.3499 -0.9051132E-01 1.624922 
1 1 1    3   40    3 o   67.211   0.9195  4387.54  119.954  4489.02  170.170  4287.31  169.116   67.984   1.2895   66.438   1.3113 1.545700 1.839090 
1 1 1    3   40    4 o   43.419   0.8895  1831.11   74.964  1841.52  105.723  1820.58  106.310   43.544   1.2508   43.295   1.2649 0.2485390 1.778902 
1 1 1    3   40    5 o   70.708   0.9570  4852.43  131.211  4771.92  180.818  4941.98  190.696   70.090   1.3290   71.326   1.3773 -1.235931 1.913929 
1 1 1    3   40    6 o   26.397   1.1433  679.534   58.358  738.179   81.804  618.760   83.276   27.563   1.5289   25.232   1.7002 2.331102 2.286588 
1 1 1    3   40    7 o   76.766   0.9749  5716.39  144.948  5604.16  197.565  5847.24  213.316   75.953   1.3400   77.579   1.4165 -1.625740 1.949869 
1 1 1    3   40    8 o   66.014   0.8105  4270.61   99.175  4365.21  123.875  4101.70  165.517   67.048   0.9518   64.979   1.3122 2.068596 1.621036 
1 1 1    3   40    9 o   57.594   0.7892  3221.10   84.379  3219.37  104.961  3224.27  141.871   57.578   0.9391   57.609   1.2686 -0.3146362E-01 1.578390 
1 1 1    3   40   10 o   14.964   1.9225  239.636   50.856  279.707   63.948  170.680   83.887   16.956   1.9428   12.972   3.3181 3.984689 3.845036 
1 1 1    3   40   11 o  114.232   1.1230 12705.32  236.518 12749.31  292.214 12621.75  402.749  114.548   1.3142  113.916   1.8213 0.6321716 2.245935 
1 1 1    3   40   12 o   43.289   0.8177  1825.93   65.928  1839.95   82.521  1801.19  109.620   43.525   0.9767   43.053   1.3116 0.4720879 1.635339 
1 1 1    3   40   13 o   99.362   1.0496  9628.39  193.506  9702.30  241.070  9494.51  324.464   99.924   1.2428   98.799   1.6918 1.124367 2.099229 
1 1 1    3   40   14 o   62.170   0.8438  3740.87   97.607  3703.75  121.478  3808.50  163.962   61.747   1.0135   62.593   1.3494 -0.8461075 1.687642 
1 1 1    3   40   15 o   34.903   1.0159  1194.44   66.775  1227.18   85.350  1142.79  107.216   35.533   1.2374   34.272   1.6116 1.260342 2.031826 
1 1 1    3   40   16 o   16.425   1.7213  262.806   54.699  254.802   73.945  272.479   81.289   16.153   2.3582   16.697   2.5079 -0.5442562 3.442543 
1 1 1    3   40   17 o   58.350   0.8425  3296.13   92.421  3255.35  116.602  3365.05  151.579   57.878   1.0378   58.822   1.3275 -0.9442520 1.685026 
1 1 1    3   40   18 o   77.218   0.9274  5820.20  134.422  5879.21  170.155  5722.25  219.246   77.764   1.1272   76.673   1.4731 1.090691 1.854869 
1 1 1    3   40   19 o   31.839   1.1199  979.997   68.025  945.843   87.708  1031.56  107.763   31.160   1.4500   32.518   1.7072 -1.358236 2.239887 
1 1 1    3   40   20 o   18.047   1.9747  334.912   65.173  371.889   85.457  283.505  100.760   19.465   2.2617   16.630   3.2377 2.834379 3.949438 
1 1 1    3   40   21 o   37.293   1.0382  1337.53   73.815  1256.05   94.627  1464.15  117.971   35.880   1.3586   38.705   1.5701 -2.824791 2.076331 
1 1 1    3   40   22 o   36.751   1.0588  1307.30   74.682  1235.36   97.455  1409.65  116.245   35.554   1.4120   37.947   1.5781 -2.393188 2.117589 
1 1 1    3   40   23 o   25.148   1.4447  620.954   69.840  509.963   94.633  753.717  103.499   22.674   2.1501   27.623   1.9302 -4.949055 2.889369 
1 1 1    3   40   24 o   8.5796   2.4918   33.349   67.345   58.275   92.674   5.4568   98.032   9.0960   3.5787   8.0632   3.4685 1.032780 4.983694 
1 1 1    3   40   25 o   26.775   1.3571  716.494   69.748  849.709   99.780  589.203   97.536   29.273   1.7559   24.276   2.0697 4.996778 2.714236 
1 1 1    3   40   26 o   27.267   1.3768  746.197   72.687  731.545  106.022  759.192   99.846   26.979   2.0244   27.555   1.8667 -0.5759163 2.753678 
1 1 1    3   40   27 o   36.232   1.2091  1315.34   84.826  1354.11  117.081  1272.50  123.066   36.840   1.6372   35.625   1.7796 1.215324 2.418143 
1 1 1    3   41    0 o  174.533   1.4184 29610.55  469.241 29587.83  601.767 29645.80  749.510  174.480   1.7767  174.586   2.2116 -0.1059570 2.836872 
1 1 1    3   41    1 o   31.690   0.8188  976.267   47.024  978.043   57.088  972.519   82.931   31.738   0.9266   31.642   1.3502 0.9634590E-01 1.637555 
1 1 1    3   41    2 o   66.962   0.8051  4387.36   98.713  4455.53  121.447  4254.64  169.458   67.741   0.9236   66.183   1.3190 1.557610 1.610210 
1 1 1    3   41    3 o  118.096   1.1333 13631.58  250.013 13851.98  314.846 13255.39  411.333  119.415   1.3582  116.777   1.8146 2.638008 2.266598 
1 1 1    3   41    4 o  126.022   1.3494 15441.06  330.101 15413.96  467.967 15467.91  465.707  125.911   1.9146  126.132   1.9020 -0.2215729 2.698817 
1 1 1    3   41    5 o   10.957   2.2845  114.995   56.750  179.697   77.497   40.184   83.332   13.312   3.0627   8.6017   3.3905 4.710644 4.568981 
1 1 1    3   41    6 o   18.637   1.6099  343.569   57.118  411.580   79.662  271.608   81.942   20.572   1.9948   16.702   2.5273 3.870205 3.219727 
1 1 1    3   41    7 o   85.294   1.0605  7068.14  175.562  7205.24  250.098  6934.96  246.505   86.110   1.4962   84.479   1.5032 1.630959 2.120902 
1 1 1    3   41    8 o   54.251   0.7949  2889.38   79.618  2961.68   99.076  2757.57  133.773   55.226   0.9242   53.276   1.2935 1.949909 1.589761 
1 1 1    3   41    9 o   30.007   0.9851  842.251   53.828  786.122   64.684  968.662   97.072   28.448   1.1714   31.567   1.5841 -3.119587 1.970176 
1 1 1    3   41   10 o  121.656   1.1868 14443.83  265.631 14559.64  327.802 14222.34  453.326  122.404   1.3796  120.908   1.9315 1.496338 2.373589 
1 1 1    3   41   11 o   78.279   0.9055  5961.25  130.385  5976.93  160.637  5930.97  223.224   78.444   1.0549   78.114   1.4721 0.3300781 1.811092 
1 1 1    3   41   12 o   59.783   0.8089  3452.60   90.165  3402.91  112.398  3542.30  151.014   59.191   0.9782   60.375   1.2885 -1.184574 1.617782 
1 1 1    3   41   13 o   70.440   0.8649  4805.55  112.732  4768.82  139.449  4874.82  191.518   70.065   1.0253   70.814   1.3932 -0.7489090 1.729831 
1 1 1    3   41   14 o   12.890   2.2582  173.405   56.038  195.901   72.292  139.541   88.699   13.915   2.7736   11.864   3.5643 2.051332 4.516318 
1 1 1    3   41   15 o   48.942   0.8392  2336.51   77.031  2361.00   97.396  2295.61  125.879   49.295   1.0178   48.590   1.3346 0.7055244 1.678413 
1 1 1    3   41   16 o   72.334   0.9063  5131.06  123.264  5270.79  157.163  4907.71  198.693   73.642   1.0994   71.026   1.4411 2.616020 1.812592 
1 1 1    3   41   17 o   86.937   1.0108  7309.37  162.534  7208.20  200.681  7502.24  277.099   86.100   1.2007   87.773   1.6263 -1.672676 2.021547 
1 1 1    3   41   18 o   27.794   1.2681  791.317   64.750  915.435   83.752  606.910  102.086   30.665   1.4070   24.922   2.1102 5.743172 2.536219 
1 1 1    3   41   19 o   16.016   2.0829  253.183   61.665  238.693   77.927  277.457  100.858   15.577   2.5771   16.454   3.2728 -0.8773699 4.165715 
1 1 1    3   41   20 o   39.077   0.9776  1493.52   72.353  1509.55   92.951  1468.87  115.252   39.365   1.2164   38.790   1.5306 0.5753975 1.955116 
1 1 1    3   41   21 o   8.7987   2.4644   24.985   63.421 -19.9622   80.513   98.474  102.949   6.9445   3.0619   10.653   3.8624 -3.708356 4.928882 
1 1 1    3   41   22 o   16.444   2.0782  284.492   62.961  381.682   88.586  185.283   89.501   19.623   2.3256   13.266   3.4449 6.357154 4.156443 
1 1 1    3   41   23 o   25.100   1.4286  630.477   68.786  729.016   96.376  528.159   98.207   27.166   1.8276   23.034   2.1964 4.132338 2.857269 
1 1 1    3   41   24 o   13.769   2.4412  198.416   67.614  120.061   90.829  295.802  101.261   10.861   3.6484   16.678   3.2446 -5.816298 4.882479 
1 1 1    3   41   25 o   38.758   1.0739  1494.23   80.051  1579.18  108.209  1391.53  118.973   40.037   1.3923   37.478   1.6353 2.558998 2.147730 
1 1 1    3   41   26 o   8.3444   2.5207   19.004   72.716   37.846  100.440  -1.7490  105.411   8.6582   3.6060   8.0307   3.5233 0.6274652 5.041499 
1 1 1    3   41   27 o   10.055   2.7036   91.043   74.158   47.834   99.557  144.900  111.149   8.7290   3.6089   11.381   4.0265 -2.651920 5.407163 
1 1 1    3   42    0 o   81.925   1.0414  6521.25  165.611  6544.14  233.255  6497.98  235.174   82.071   1.4641   81.780   1.4814 0.2909622 2.082855 
1 1 1    3   42    1 o   41.685   0.7739  1658.91   56.774  1621.24   66.970  1755.15  107.041   40.863   0.8443   42.507   1.2972 -1.644306 1.547784 
1 1 1    3   42    2 o   83.507   0.9120  6808.37  139.755  6881.42  172.117  6667.02  239.434   84.179   1.0533   82.835   1.4890 1.344063 1.823924 
1 1 1    3   42    3 o   22.869   1.1876  518.376   45.745  529.019   53.161  488.014   89.790   23.338   1.1734   22.400   2.0650 0.9385891 2.375112 
1 1 1    3   42    4 o   12.669   2.2503  167.691   56.532  210.931   74.999  110.799   86.027   14.475   2.7701   10.864   3.5472 3.611439 4.500679 
1 1 1    3   42    5 o   62.614   0.9247  3808.92  112.323  3819.61  156.177  3797.46  161.662   62.706   1.2830   62.522   1.3320 0.1841354 1.849447 
1 1 1    3   42    6 o   44.738   0.9129  1944.46   79.275  1943.96  111.438  1944.97  112.797   44.733   1.2833   44.744   1.2987 -0.1109314E-01 1.825793 
1 1 1    3   42    7 o   90.390   1.1007  7940.90  193.123  7873.93  271.241  8009.75  275.034   90.004   1.5525   90.776   1.5608 -0.7722321 2.201439 
1 1 1    3   42    8 o   59.764   0.8097  3475.89   88.694  3488.97  108.899  3450.12  152.863   59.940   0.9359   59.589   1.3215 0.3505630 1.619369 
1 1 1    3   42    9 o   68.528   0.8414  4582.60  106.351  4628.90  131.670  4495.72  180.385   69.038   0.9825   68.018   1.3662 1.019936 1.682793 
1 1 1    3   42   10 o   9.6635   2.1858   86.604   52.034  138.007   65.443  -1.7483   85.797   11.663   2.9022   7.6638   3.2692 3.999585 4.371584 
1 1 1    3   42   11 f  118.635   1.1488 13645.57  250.999 13557.58  308.969 13816.36  430.434  118.110   1.3476  119.161   1.8608 -1.050621 2.297554 
1 1 1    3   42   12 o   93.339   1.0195  8494.47  175.933  8551.54  218.215  8388.48  297.386   93.812   1.1983   92.866   1.6497 0.9459457 2.038955 
1 1 1    3   42   13 o   40.163   1.1070  1554.33   84.968  1651.20  134.053  1489.28  109.854   41.193   1.6765   39.134   1.4461 2.058754 2.213985 
1 1 1    3   42   14 o   8.4884   2.3784   35.385   56.756   23.515   71.702   55.300   92.877   7.6479   3.1006   9.3289   3.6074 -1.681012 4.756767 
1 1 1    3   42   15 o   40.317   0.9360  1589.48   70.415  1613.14   88.524  1548.74  116.189   40.739   1.1194   39.895   1.5003 0.8440132 1.871900 
1 1 1    3   42   16 o   51.869   0.8761  2625.23   85.599  2654.99  108.960  2577.25  138.344   52.266   1.0739   51.472   1.3846 0.7942009 1.752290 
1 1 1    3   42   17 o   51.142   0.8754  2545.62   84.396  2551.16  107.320  2536.64  136.627   51.228   1.0792   51.056   1.3786 0.1716919 1.750745 
1 1 1    3   42   18 f   26.111   1.3181  686.208   64.154  755.666   82.759  581.620  101.554   27.844   1.5312   24.378   2.1460 3.465694 2.636266 
1 1 1    3   42   19 o   35.669   1.0176  1220.04   68.879  1149.31   87.489  1335.36  111.712   34.345   1.3123   36.992   1.5557 -2.646931 2.035247 
1 1 1    3   42   20 o   40.115   0.9908  1581.59   75.075  1620.78   96.373  1521.10  119.732   40.779   1.2175   39.452   1.5634 1.327316 1.981551 
1 1 1    3   42   21 f   35.210   1.0514  1214.05   70.423  1221.07   91.120  1203.63  110.977   35.363   1.3274   35.056   1.6308 0.3068886 2.102743 
1 1 1    3   42   22 o   12.275   2.4638  153.678   63.296  100.766   85.913  216.493   93.609   10.266   3.5463   14.284   3.4211 -4.017886 4.927555 
1 1 1    3   42   23 o   29.832   1.2262  871.756   70.701  790.016   94.947  973.492  105.925   28.277   1.7297   31.386   1.7386 -3.109440 2.452482 
1 1 1    3   42   24 o   7.5441   2.3591 -17.2993   68.246  -3.1811   94.303 -32.8241   98.890   7.7227   3.3617   7.3654   3.3107 0.3572822 4.718193 
1 1 1    3   42   25 o   24.131   1.5983  588.899   74.310  585.115   99.166  593.744  112.222   24.103   2.1195   24.160   2.3929 -0.5688286E-01 3.196559 
1 1 1    3   42   26 o   27.128   1.5180  747.172   79.857  749.479  110.642  744.663  115.377   27.199   2.0955   27.056   2.1968 0.1436329 3.036008 
1 1 1    3   42   27 o   8.4350   2.6903 -31.2460   91.334   45.521  146.693 -79.8448  116.717   9.7431   4.2168   7.1269   3.3422 2.616200 5.380663 
1 1 1    3   43    0 o  104.042   2.1088 11038.41  248.898 11157.64  262.315  9961.44  788.359  107.176   1.2608  100.908   4.0247 6.268936 4.217589 
1 1 1    3   43    1 o   88.174   0.9593  7569.62  154.945  7604.04  190.175  7501.64  267.234   88.486   1.1072   87.861   1.5669 0.6244736 1.918557 
1 1 1    3   43    2 o   49.366   0.7838  2365.10   68.707  2362.64   81.981  2370.92  125.943   49.329   0.8561   49.403   1.3133 -0.7415009E-01 1.567698 
1 1 1    3   43    3 o  117.131   1.1358 13418.43  247.773 13641.10  310.855 13030.50  410.297  118.495   1.3514  115.767   1.8258 2.727852 2.271521 
1 1 1    3   43    4 o   66.804   0.8122  4347.84   98.989  4373.49  121.045  4296.06  171.996   67.111   0.9292   66.497   1.3325 0.6136703 1.624428 
1 1 1    3   43    5 o   38.675   5.1232  1628.21  356.834  1933.35  456.878  1150.95  571.392   44.258   5.3179   33.091   8.7584 11.16712 10.24641 
1 1 1    3   43    6 o   85.195   1.0693  7055.21  176.719  7075.03  245.677  7033.95  254.387   85.321   1.4833   85.068   1.5405 0.2524948 2.138564 
1 1 1    3   43    7 o   81.032   1.0401  6384.26  163.501  6639.92  231.158  6128.29  231.293   82.658   1.4407   79.405   1.5005 3.252716 2.080171 
1 1 1    3   43    8 o   96.439   1.1426  9037.26  213.395  8972.77  291.450  9111.79  313.305   96.074   1.5628   96.805   1.6673 -0.7308655 2.285179 
1 1 1    3   43    9 o   59.853   0.8194  3498.89   90.509  3541.52  112.180  3419.38  153.199   60.387   0.9570   59.319   1.3304 1.067677 1.638874 
1 1 1    3   43   10 o   59.883   0.8126  3420.46   89.576  3292.29  109.425  3680.80  155.957   58.222   0.9682   61.544   1.3054 -3.322304 1.625295 
1 1 1    3   43   11 o   50.817   1.0274  2493.23  100.473  2637.48  154.187  2386.77  132.458   52.081   1.5251   49.552   1.3770 2.528740 2.054800 
1 1 1    3   43   12 o   85.766   0.9676  7175.25  153.023  7228.05  189.258  7075.57  260.047   86.247   1.1304   85.286   1.5708 0.9605255 1.935246 
1 1 1    3   43   13 o   49.852   0.8524  2416.02   80.492  2418.46  103.153  2412.22  128.709   49.891   1.0651   49.812   1.3311 0.7905579E-01 1.704770 
1 1 1    3   43   14 o   32.943   1.0225  1065.53   63.218  1096.03   80.421  1016.21  102.276   33.576   1.2339   32.310   1.6307 1.266144 2.044925 
1 1 1    3   43   15 o   51.376   0.8761  2593.02   83.872  2666.16  105.633  2468.26  137.965   52.379   1.0389   50.372   1.4110 2.007351 1.752180 
1 1 1    3   43   16 f   74.214   0.9203  5391.46  127.776  5488.81  161.329  5227.60  209.299   75.141   1.1060   73.287   1.4712 1.854271 1.840591 
1 1 1    3   43   17 o   57.974   0.8762  3225.86   94.533  3119.93  117.091  3424.14  160.204   56.645   1.0649   59.304   1.3916 -2.659172 1.752310 
1 1 1    3   43   18 o   28.306   1.1599  777.895   63.058  754.883   82.794  809.682   97.309   27.820   1.5331   28.792   1.7411 -0.9717464 2.319866 
1 1 1    3   43   19 o   49.104   0.9017  2377.84   83.349  2473.60  106.886  2229.25  133.137   50.407   1.0924   47.801   1.4348 2.606647 1.803329 
1 1 1    3   43   20 o   18.145   1.8348  319.773   63.416  294.577   80.957  359.786  102.021   17.264   2.4157   19.027   2.7622 -1.762852 3.669545 
1 1 1    3   43   21 o   15.409   2.0192  241.276   58.371  173.846   79.622  319.617   85.823   12.882   3.1987   17.935   2.4651 -5.052662 4.038393 
1 1 1    3   43   22 o   9.0739   2.3566   39.335   65.026  139.289   88.286 -79.1834   96.136   11.551   3.5732   6.5965   3.0736 4.954679 4.713266 
1 1 1    3   43   23 f   15.635   2.2962  253.998   68.775  185.287   92.747  337.937  102.510   13.082   3.5580   18.188   2.9035 -5.105603 4.592374 
1 1 1    3   43   24 o   10.777   2.4737  114.250   66.517  191.060   89.844   21.073   98.954   13.206   3.4623   8.3470   3.5340 4.859090 4.947352 
1 1 1    3   43   25 o   27.174   1.4270  742.602   74.740  739.991   99.936  745.915  112.589   27.177   1.8944   27.171   2.1347 0.5851746E-02 2.854016 
1 1 1    3   43   26 o   14.673   2.6123  249.593   74.397  265.418  100.740  230.607  110.341   15.319   3.4684   14.027   3.9074 1.292296 5.224687 
1 1 1    3   44    0 o   29.434   4.2212  759.705   55.080  756.939   55.396  999.547  515.862   27.918   1.0222   30.950   8.3803 -3.032297 8.442392 
1 1 1    3   44    1 o   89.798   0.9590  7798.53  157.508  7727.36  192.360  7943.33  274.378   89.195   1.1110   90.402   1.5635 -1.206131 1.918055 
1 1 1    3   44    2 o   47.969   0.7642  2220.78   65.627  2198.77   78.632  2271.30  119.143   47.586   0.8512   48.352   1.2694 -0.7657547 1.528375 
1 1 1    3   44    3 o   60.996   0.7857  3644.99   87.990  3712.41  108.647  3516.47  150.000   61.831   0.9052   60.162   1.2844 1.668941 1.571349 
1 1 1    3   44    4 o   11.086   2.1501  123.147   45.691  124.752   55.475  119.762   80.564   11.093   2.6183   11.078   3.4111 0.1439667E-01 4.300164 
1 1 1    3   44    5 o   52.151   0.8999  2640.52   90.947  2861.40  130.520  2432.06  126.798   54.271   1.2389   50.031   1.3056 4.239525 1.799860 
1 1 1    3   44    6 o  113.063   1.3011 12427.73  285.237 12308.08  393.395 12560.35  414.178  112.495   1.8015  113.632   1.8777 -1.136986 2.602124 
1 1 1    3   44    7 o   69.347   0.9641  4668.88  129.713  4860.35  186.577  4489.75  180.460   70.722   1.3591   67.972   1.3677 2.750252 1.928115 
1 1 1    3   44    8 o   29.801   1.0283  878.893   56.420  915.864   70.335  812.169   94.489   30.704   1.1801   28.899   1.6844 1.804739 2.056627 
1 1 1    3   44    9 o   13.349   2.0543  170.863   50.365  140.658   62.771  225.448   84.384   11.771   2.7898   14.927   3.0161 -3.156224 4.108503 
1 1 1    3   44   10 o   77.789   0.9133  5858.23  130.596  5811.11  160.372  5950.97  225.010   77.342   1.0682   78.235   1.4816 -0.8928299 1.826527 
1 1 1    3   44   11 o   47.984   0.8527  2217.21   75.801  2170.92   93.608  2305.39  129.189   47.272   1.0201   48.696   1.3667 -1.423981 1.705418 
1 1 1    3   44   12 o   90.552   1.0071  8013.50  169.423  8114.47  211.667  7833.45  282.638   91.375   1.1933   89.729   1.6227 1.646095 2.014227 
1 1 1    3   44   13 o   59.265   0.8481  3416.20   93.915  3421.10  117.846  3407.67  155.468   59.336   1.0231   59.195   1.3530 0.1415710 1.696275 
1 1 1    3   44   14 o   26.522   1.2197  684.692   61.657  683.421   79.930  686.559   96.889   26.500   1.5538   26.544   1.8804 -0.4423332E-01 2.439300 
1 1 1    3   44   15 o   23.808   1.3855  522.412   62.130  391.575   78.508  741.675  101.633   20.035   2.0187   27.581   1.8983 -7.546345 2.770986 
1 1 1    3   44   16 o   56.554   0.8647  3100.28   92.054  3067.37  116.413  3155.20  150.381   56.170   1.0677   56.939   1.3606 -0.7688446 1.729466 
1 1 1    3   44   17 o   50.683   0.8819  2506.78   84.437  2527.62  107.919  2473.90  135.585   50.973   1.0907   50.393   1.3860 0.5800705 1.763718 
1 1 1    3   44   18 o   20.070   1.6593  396.755   62.810  399.411   80.063  392.503  101.286   20.188   2.0430   19.952   2.6151 0.2362709 3.318552 
1 1 1    3   44   19 o   38.145   0.9981  1407.15   71.438  1370.21   89.603  1471.59  118.349   37.491   1.2312   38.800   1.5713 -1.308804 1.996248 
1 1 1    3   44   20 o   16.392   2.0121  261.502   61.543  207.321   78.939  345.477   98.275   14.153   2.9681   18.630   2.7174 -4.477194 4.024159 
1 1 1    3   44   21 o   17.953   1.8787  322.685   62.834  249.357   84.209  414.794   94.378   15.501   2.9052   20.405   2.3827 -4.904013 3.757324 
1 1 1    3   44   22 o   9.2790   2.5229   66.450   63.675   60.068   85.456   74.415   95.476   8.9459   3.4600   9.6121   3.6726 -0.6662474 5.045770 
1 1 1    3   44   23 o   19.306   1.8536  375.408   69.208  341.635   93.338  416.652  103.146   18.349   2.6205   20.263   2.6223 -1.914047 3.707183 
1 1 1    3   44   24 o   19.786   1.9758  413.911   72.500  489.826  100.986  333.169  104.147   21.964   2.3686   17.609   3.1631 4.354811 3.951658 
1 1 1    3   44   25 o   28.248   1.3790  804.655   75.330  883.333  106.621  726.234  106.446   29.679   1.8506   26.816   2.0449 2.863325 2.757989 
1 1 1    3   44   26 o   8.3490   2.5341   5.7564   75.751 -53.8142  101.344   81.177  114.032   6.9273   3.2028   9.7706   3.9280 -2.843267 5.068254 
1 1 1    3   45    0 o   50.637   3.8432  2726.84   87.515  2732.76   88.178  2337.55  715.044   53.050   0.8563   48.224   7.6385 4.826450 7.686345 
1 1 1    3   45    1 o   93.755   1.0010  8445.33  170.885  8269.32  207.238  8819.26  302.057   92.266   1.1571   95.245   1.6337 -2.979866 2.001974 
1 1 1    3   45    2 o   94.135   1.0001  8647.18  172.960  8723.59  213.157  8499.91  295.930   94.766   1.1587   93.505   1.6304 1.260620 2.000200 
1 1 1    3   45    3 o   31.653   0.9086  961.265   51.698  941.839   61.996  1005.61   93.667   31.141   1.0256   32.166   1.5001 -1.025000 1.817199 
1 1 1    3   45    4 o   19.360   1.3253  358.648   46.697  348.019   56.500  381.560   82.954   18.922   1.5382   19.798   2.1585 -0.8764839 2.650512 
1 1 1    3   45    5 o   65.965   0.9438  4227.65  120.839  4316.39  171.981  4141.11  169.822   66.649   1.3293   65.281   1.3401 1.367851 1.887573 
1 1 1    3   45    6 o   33.083   1.0390  1063.39   66.613  1055.99   91.460  1071.76   97.213   32.962   1.4294   33.205   1.5082 -0.2426109 2.077953 
1 1 1    3   45    7 o   67.103   0.9497  4376.06  123.710  4409.00  174.955  4343.13  174.951   67.356   1.3381   66.851   1.3482 0.5056686 1.899482 
1 1 1    3   45    8 o   60.535   0.8244  3577.43   92.550  3619.25  115.345  3501.85  155.071   61.043   0.9734   60.027   1.3308 1.016632 1.648825 
1 1 1    3   45    9 o   30.365   1.0062  895.203   56.848  892.321   70.868  900.405   95.209   30.303   1.2047   30.427   1.6120 -0.1230774 2.012427 
1 1 1    3   45   10 o   36.690   0.9307  1326.70   63.612  1377.08   80.306  1241.84  104.220   37.647   1.0989   35.733   1.5025 1.913322 1.861472 
1 1 1    3   45   11 o   84.987   0.9725  7072.08  152.746  7188.23  189.845  6858.87  257.217   86.007   1.1371   83.967   1.5781 2.039848 1.945065 
1 1 1    3   45   12 o   60.474   0.8647  3497.35   96.646  3373.48  118.644  3741.66  166.619   58.922   1.0373   62.027   1.3838 -3.104759 1.729440 
1 1 1    3   45   13 o   69.413   0.9013  4701.08  116.877  4745.25  146.946  4625.02  192.827   69.876   1.0833   68.950   1.4407 0.9255600 1.802545 
1 1 1    3   45   14 o   28.938   1.1735  797.470   63.863  747.397   79.807  886.620  106.488   27.713   1.4835   30.164   1.8187 -2.450813 2.346996 
1 1 1    3   45   15 o   23.169   1.4124  503.255   61.958  435.823   77.809  620.101  102.425   21.138   1.8963   25.200   2.0938 -4.062262 2.824864 
1 1 1    3   45   16 o   43.770   0.9174  1876.46   75.434  1911.96   95.826  1818.61  122.317   44.335   1.1135   43.205   1.4584 1.129757 1.834888 
1 1 1    3   45   17 o   23.035   1.5145  533.893   65.128  580.478   83.809  462.871  103.482   24.373   1.7714   21.697   2.4570 2.676098 3.028987 
1 1 1    3   45   18 o   35.418   1.0659  1234.14   71.563  1270.63   92.565  1179.93  112.827   36.099   1.3210   34.738   1.6732 1.360466 2.131785 
1 1 1    3   45   19 o   31.159   1.1176  934.043   65.660  886.828   82.582  1015.19  108.262   30.132   1.4119   32.187   1.7327 -2.055395 2.235114 
1 1 1    3   45   20 o   13.532   2.3288  186.524   60.334  149.949   78.675  238.744   94.007   11.977   3.2852   15.088   3.3015 -3.110497 4.657502 
1 1 1    3   45   21 o   32.213   1.1211  1034.58   68.381  1093.98   89.065  949.287  106.723   33.407   1.3734   31.018   1.7725 2.388998 2.242295 
1 1 1    3   45   22 o   21.898   1.4989  478.579   63.697  468.985   90.491  488.000   89.678   21.672   2.1511   22.124   2.0881 -0.4528637 2.997857 
1 1 1    3   45   23 o   24.672   1.4867  612.734   70.719  637.107   95.900  583.680  104.702   25.265   1.9554   24.079   2.2400 1.185938 2.973397 
1 1 1    3   45   24 o   9.1087   2.5956   56.081   70.018   44.845   92.700   71.006  106.838   8.6094   3.5122   9.6080   3.8226 -0.9986486 5.191123 
1 1 1    3   45   25 o   25.966   1.4983  692.458   74.491  742.838  100.119  629.987  111.488   27.150   1.8997   24.781   2.3176 2.369261 2.996677 
1 1 1    3   46    0 o   72.368   3.0400  5552.71  146.227  5581.43  148.719  4717.13  802.191   75.808   1.0106   68.928   5.9954 6.879654 6.079956 
1 1 1    3   46    1 o   32.855   0.8841  1034.97   52.156  1013.30   62.477  1084.80   94.734   32.301   0.9964   33.409   1.4608 -1.107941 1.768248 
1 1 1    3   46    2 o   85.144   0.9418  7053.92  146.875  7073.35  180.160  7015.41  253.621   85.335   1.0876   84.953   1.5380 0.3827591 1.883654 
1 1 1    3   46    3 o   38.297   0.8607  1435.95   58.433  1452.36   69.862  1397.72  106.606   38.672   0.9306   37.922   1.4482 0.7499275 1.721434 
1 1 1    3   46    4 o   79.065   0.8954  6079.92  129.744  6091.99  159.206  6056.05  223.876   79.196   1.0356   78.934   1.4611 0.2623367 1.790880 
1 1 1    3   46    5 o   28.577   1.1970  793.924   66.391  813.141   94.899  775.502   92.913   28.915   1.6907   28.238   1.6950 0.6773109 2.394070 
1 1 1    3   46    6 o  111.036   1.2929 12001.02  278.536 12387.04  392.677 11610.12  395.154  112.839   1.7927  109.232   1.8636 3.606201 2.585883 
1 1 1    3   46    7 o   62.001   0.9439  3738.37  113.532  3873.84  159.962  3600.87  161.162   63.135   1.3052   60.866   1.3640 2.268681 1.887887 
1 1 1    3   46    8 o   33.193   0.9791  1071.15   60.730  1071.48   76.203  1070.56  100.536   33.207   1.1822   33.178   1.5610 0.2834702E-01 1.958121 
1 1 1    3   46    9 o   71.412   0.8852  4934.71  116.632  4886.39  143.725  5027.90  199.586   70.918   1.0440   71.906   1.4299 -0.9880829 1.770456 
1 1 1    3   46   10 f   62.248   0.8362  3735.22   96.975  3659.86  120.609  3873.04  163.102   61.378   1.0123   63.118   1.3312 -1.740559 1.672364 
1 1 1    3   46   11 o   12.227   2.2680  162.966   58.013  219.017   72.844   65.772   95.923   14.749   2.6412   9.7047   3.6876 5.044742 4.535933 
1 1 1    3   46   12 f   31.120   1.1049  923.348   64.630  870.400   80.774  1017.57  107.750   29.914   1.3910   32.326   1.7171 -2.411898 2.209859 
1 1 1    3   46   13 o   41.244   1.0741  1654.42   85.902  1679.07  124.817  1632.23  118.404   41.534   1.5481   40.954   1.4894 0.5791893 2.148231 
1 1 1    3   46   14 o   29.510   1.1543  852.482   64.106  866.210   81.606  830.359  103.597   29.835   1.4091   29.184   1.8287 0.6502380 2.308571 
1 1 1    3   46   15 o   42.635   0.9374  1757.78   74.850  1726.30   93.799  1812.96  124.195   42.128   1.1470   43.141   1.4830 -1.013218 1.874813 
1 1 1    3   46   16 o   34.805   1.0697  1197.27   70.093  1252.92   90.064  1111.80  111.623   35.867   1.2936   33.744   1.7041 2.123043 2.139469 
1 1 1    3   46   17 o   67.265   0.9075  4427.01  114.159  4476.96  143.819  4341.92  187.694   67.817   1.0925   66.712   1.4494 1.104637 1.814986 
1 1 1    3   46   18 o   46.077   0.9266  2080.06   79.393  2102.41   99.268  2040.38  132.258   46.457   1.1008   45.697   1.4910 0.7600021 1.853299 
1 1 1    3   46   19 o   24.685   1.3465  596.673   62.505  589.398   78.937  608.903  102.344   24.522   1.6583   24.848   2.1218 -0.3254566 2.692962 
1 1 1    3   46   20 o   41.630   0.9356  1706.58   73.219  1739.52   93.145  1653.32  118.455   42.204   1.1369   41.056   1.4863 1.148342 1.871293 
1 1 1    3   46   21 o   32.690   1.1026  1062.53   68.721  1114.26   90.495  992.078  105.621   33.689   1.3838   31.691   1.7169 1.997950 2.205177 
1 1 1    3   46   22 o   32.364   1.1075  1022.06   69.077  945.439   91.267  1124.81  105.692   30.975   1.5179   33.753   1.6131 -2.777998 2.214986 
1 1 1    3   46   23 o   13.684   2.5385  210.380   68.846  239.148   93.123  175.703  102.239   14.793   3.3240   12.576   3.8376 2.216960 5.077011 
1 1 1    3   46   24 o   11.363   2.6327  137.370   72.722  206.920   98.888   55.458  107.317   13.508   3.6739   9.2172   3.7717 4.291112 5.265355 
1 1 1    3   46   25 f   12.579   2.7620  186.939   74.818  201.887  100.542  168.390  112.001   13.134   3.7551   12.024   4.0513 1.109682 5.523956 
1 1 1    3   47    0 o   49.291   3.7662  2380.84   83.959  2380.19   84.548  2427.27  712.645   49.508   0.8798   49.075   7.4808 0.4325562 7.532327 
1 1 1    3   47    1 o  121.715   1.2029 14354.53  270.291 14237.69  333.467 14578.33  461.503  121.032   1.4193  122.397   1.9424 -1.365089 2.405713 
1 1 1    3   47    2 o   96.601   1.0170  9028.23  180.597  8940.53  221.681  9201.30  311.415   95.929   1.1905   97.273   1.6492 -1.344589 2.034001 
1 1 1    3   47    3 o   82.021   0.9181  6488.90  137.592  6395.85  167.669  6680.76  240.763   81.144   1.0645   82.899   1.4962 -1.754951 1.836180 
1 1 1    3   47    4 o   82.387   0.9317  6656.86  141.538  6795.78  175.679  6399.88  238.936   83.640   1.0820   81.134   1.5171 2.506454 1.863431 
1 1 1    3   47    5 o   59.381   0.8132  3458.54   87.957  3522.92  107.749  3329.96  152.277   60.227   0.9216   58.534   1.3402 1.693649 1.626493 
1 1 1    3   47    6 o   45.857   0.9260  2043.61   82.422  2065.33  117.321  2022.44  115.817   46.098   1.3111   45.617   1.3079 0.4809685 1.851916 
1 1 1    3   47    7 o   89.278   1.1175  7751.61  193.628  7690.83  270.879  7815.11  276.884   88.922   1.5693   89.635   1.5913 -0.7129135 2.234937 
1 1 1    3   47    8 o   67.729   0.8662  4518.47  108.509  4666.06  135.602  4255.72  180.929   69.303   1.0080   66.156   1.4089 3.147346 1.732333 
1 1 1    3   47    9 o   23.557   1.3271  516.812   59.230  434.806   74.532  657.362   97.575   21.133   1.8168   25.980   1.9348 -4.846365 2.654101 
1 1 1    3   47   10 o   77.667   0.9199  5888.17  132.331  5942.74  164.576  5788.36  222.577   78.200   1.0842   77.135   1.4865 1.064804 1.839867 
1 1 1    3   47   11 o   84.241   0.9935  6861.88  154.407  6772.66  190.127  7034.73  264.629   83.469   1.1734   85.012   1.6036 -1.542938 1.987045 
1 1 1    3   47   12 o   38.538   0.9777  1452.76   70.788  1477.48   89.896  1412.41  114.843   38.984   1.1879   38.093   1.5531 0.8905525 1.955308 
1 1 1    3   47   13 o   20.909   1.5380  410.393   61.094  348.107   77.328  513.847   99.659   18.883   2.1096   22.934   2.2386 -4.050739 3.075937 
1 1 1    3   47   14 o   18.552   1.7111  327.417   60.235  294.444   76.101  382.724   98.561   17.348   2.2598   19.756   2.5701 -2.407518 3.422271 
1 1 1    3   47   15 o   14.877   2.2327  225.926   61.033  223.208   77.476  230.372   99.084   14.817   2.7962   14.938   3.4814 -0.1213913 4.465308 
1 1 1    3   47   16 o   53.947   0.8831  2836.14   89.350  2839.59  112.717  2830.32  146.566   54.017   1.0750   53.878   1.4014 0.1385841 1.766185 
1 1 1    3   47   17 o   44.501   0.9180  1944.39   77.266  1992.45   99.404  1871.01  122.810   45.226   1.1323   43.776   1.4452 1.449802 1.835941 
1 1 1    3   47   18 o   40.817   0.9801  1633.69   74.638  1650.78   93.719  1604.04  123.418   41.147   1.1733   40.487   1.5704 0.6596565 1.960300 
1 1 1    3   47   19 o   19.615   1.6570  389.835   60.427  412.453   76.674  352.761   98.167   20.453   1.9312   18.777   2.6933 1.675875 3.314098 
1 1 1    3   47   20 o   38.899   0.9715  1495.78   71.185  1536.64   91.056  1431.57  114.156   39.639   1.1834   38.160   1.5411 1.479290 1.943026 
1 1 1    3   47   21 o   26.910   1.2095  715.388   63.143  708.244   87.581  723.120   91.119   26.777   1.6849   27.042   1.7358 -0.2653275 2.419097 
1 1 1    3   47   22 o   9.2403   2.3869   31.351   66.428 -80.0257   90.236  163.122   98.150   6.2546   2.9349   12.226   3.7651 -5.971385 4.773852 
1 1 1    3   47   23 o   19.388   1.8946  385.463   70.992  361.472   95.103  415.655  106.687   18.739   2.6144   20.037   2.7429 -1.297915 3.789300 
1 1 1    3   47   24 o   9.2435   2.5978   67.032   69.815   51.688   96.265   84.056  101.400   8.7851   3.5810   9.7018   3.7643 -0.9166346 5.195545 
1 1 1    3   48    0 o   47.969   4.3954  2512.13   86.407  2517.32   87.007  2139.66  736.929   50.913   0.8804   45.025   8.7467 5.887291 8.790857 
1 1 1    3   48    1 o   42.438   0.7820  1683.70   60.391  1571.61   72.524  1937.17  109.063   40.227   0.9288   44.649   1.2584 -4.421936 1.563981 
1 1 1    3   48    2 o   97.284   1.0437  9227.66  186.279  9283.26  229.080  9119.14  320.047   97.744   1.2073   96.824   1.7028 0.9208374 2.087400 
1 1 1    3   48    3 o   47.141   0.8082  2164.22   69.760  2174.61   85.581  2143.66  120.426   47.318   0.9317   46.964   1.3210 0.3538170 1.616484 
1 1 1    3   48    4 o   68.608   0.8510  4560.00  106.829  4532.63  130.620  4615.29  185.656   68.311   0.9850   68.904   1.3880 -0.5936432 1.702036 
1 1 1    3   48    5 o   38.751   0.9889  1463.33   73.921  1492.50   99.701  1427.72  110.158   39.185   1.3107   38.318   1.4810 0.8676567 1.977720 
1 1 1    3   48    6 o   56.191   0.9477  3068.43  103.341  3168.25  147.631  2972.53  144.705   57.087   1.3322   55.295   1.3481 1.792480 1.895336 
1 1 1    3   48    7 o   58.137   0.9335  3285.86  105.353  3285.85  149.071  3285.86  148.913   58.137   1.3209   58.137   1.3195 -0.1296997E-03 1.867062 
1 1 1    3   48    8 o   18.064   1.7708  338.250   55.464  367.774   68.317  281.164   94.997   19.436   1.8108   16.693   3.0438 2.742552 3.541655 
1 1 1    3   48    9 o   36.728   0.9382  1288.78   64.723  1225.51   80.926  1401.10  107.820   35.507   1.1741   37.949   1.4636 -2.442623 1.876364 
1 1 1    3   48   10 o   74.077   0.9172  5309.07  125.071  5252.05  153.710  5420.79  215.150   73.513   1.0771   74.641   1.4849 -1.128197 1.834434 
1 1 1    3   48   11 o   58.195   0.8723  3286.44   94.124  3271.17  116.807  3314.70  158.945   58.018   1.0372   58.372   1.4027 -0.3541069 1.744529 
1 1 1    3   48   12 o   40.322   0.9878  1613.38   73.682  1694.31   92.576  1473.51  121.705   41.746   1.1424   38.898   1.6118 2.847546 1.975608 
1 1 1    3   48   13 o   23.587   1.4443  530.857   63.878  497.815   79.491  591.089  107.323   22.591   1.8127   24.583   2.2490 -1.992617 2.888542 
1 1 1    3   48   14 o   39.318   0.9942  1524.49   73.179  1580.22   92.976  1433.77  118.631   40.295   1.1886   38.341   1.5939 1.953972 1.988321 
1 1 1    3   48   15 o   65.066   0.9039  4124.76  109.565  4126.71  136.940  4121.30  182.645   65.120   1.0833   65.011   1.4473 0.1092300 1.807806 
1 1 1    3   48   16 f   48.131   0.9199  2249.88   83.132  2224.56  104.733  2292.99  136.674   47.793   1.1289   48.468   1.4527 -0.6754723 1.839731 
1 1 1    3   48   17 o   26.628   1.2475  698.164   62.846  709.682   80.726  680.442  100.132   26.939   1.5437   26.318   1.9600 0.6211910 2.494957 
1 1 1    3   48   18 o   53.791   0.8851  2810.96   88.956  2773.35  111.249  2877.64  148.130   53.337   1.0745   54.245   1.4067 -0.9084206 1.770163 
1 1 1    3   48   19 o   21.257   1.4988  451.073   59.833  459.477   76.051  437.421   96.931   21.581   1.8154   20.933   2.3854 0.6473312 2.997645 
1 1 1    3   48   20 o   12.407   2.3864  171.576   60.264  205.933   76.825  116.614   97.168   13.969   2.9268   10.845   3.7701 3.123796 4.772803 
1 1 1    3   48   21 o   8.7602   2.4280   51.308   60.706   25.580   82.699   81.370   89.394   7.9110   3.2815   9.6094   3.5794 -1.698425 4.855968 
1 1 1    3   48   22 o   15.730   2.2334  271.566   66.146  322.987   89.370  209.273   98.365   17.756   2.5928   13.704   3.6372 4.052429 4.466813 
1 1 1    3   48   23 o   8.2848   2.4455   15.474   69.918   82.038   96.505 -58.0691  101.438   9.6089   3.6874   6.9607   3.2134 2.648178 4.891074 
1 1 1    3   48   24 o   21.284   1.7411  475.897   70.953  422.299  104.850  521.176   96.370   20.025   2.6973   22.542   2.2023 -2.517563 3.482201 
1 1 1    3   49    0 o   85.723   3.1665  8477.81  208.742  8608.68  214.158  5987.93  934.124   94.125   1.1721   77.321   6.2236 16.80416 6.333028 
1 1 1    3   49    1 o   42.869   5.2033  2450.82   85.637  2464.97   86.189  1356.53  757.951   50.379   0.8813   35.360   10.369 15.01861 10.40666 
1 1 1    3   49    2 o   39.601   0.8717  1515.13   60.845  1502.88   72.100  1545.44  113.408   39.335   0.9443   39.867   1.4654 -0.5316544 1.743320 
1 1 1    3   49    3 o   20.460   1.4586  413.009   52.612  420.501   62.782  395.339   96.421   20.792   1.5555   20.127   2.4679 0.6646767 2.917197 
1 1 1    3   49    4 o   88.943   0.9906  7705.59  161.589  7733.48  198.526  7650.83  278.151   89.208   1.1464   88.677   1.6159 0.5312958 1.981239 
1 1 1    3   49    5 f   10.844   2.2498   87.681   50.282   40.407   59.902  200.443   92.516   7.6697   2.9142   14.018   3.4283 -6.348639 4.499505 
1 1 1    3   49    6 o   11.250   2.3068  103.055   66.090  231.552   91.719 -35.7212   95.317   15.091   3.2286   7.4085   3.2957 7.682232 4.613622 
1 1 1    3   49    7 o  102.978   1.2399 10328.69  247.737 10668.67  349.769  9986.42  350.940  104.685   1.7212  101.271   1.7852 3.414040 2.479801 
1 1 1    3   49    8 o   71.324   0.8894  4961.36  116.476  4993.09  143.382  4899.78  199.729   71.682   1.0304   70.967   1.4498 0.7145462 1.778719 
1 1 1    3   49    9 o   60.116   0.8519  3495.78   94.788  3455.88  117.184  3571.28  161.210   59.637   1.0123   60.595   1.3705 -0.9587059 1.703819 
1 1 1    3   49   10 o   34.735   1.0509  1158.54   67.552  1124.21   83.162  1225.14  115.819   34.001   1.2600   35.468   1.6822 -1.467289 2.101738 
1 1 1    3   49   11 o   23.951   1.3533  545.773   61.145  505.499   76.663  616.183  101.365   22.777   1.7339   25.126   2.0783 -2.348886 2.706603 
1 1 1    3   49   12 o   40.435   0.9447  1578.66   71.249  1547.05   88.752  1635.96  119.491   39.884   1.1463   40.985   1.5019 -1.101089 1.889385 
1 1 1    3   49   13 o   24.045   1.3920  568.300   62.721  577.365   79.351  553.208  102.392   24.326   1.6805   23.765   2.2195 0.5607738 2.783939 
1 1 1    3   49   14 o   26.621   1.2603  682.635   63.244  652.949   79.612  733.416  104.125   25.867   1.5855   27.375   1.9595 -1.508387 2.520590 
1 1 1    3   49   15 o   52.769   0.8882  2737.31   87.467  2803.46  110.259  2625.01  143.661   53.667   1.0584   51.870   1.4268 1.796783 1.776471 
1 1 1    3   49   16 o   39.162   0.9720  1495.34   71.429  1490.07   90.088  1504.26  117.217   39.098   1.1870   39.226   1.5394 -0.1281738 1.943900 
1 1 1    3   49   17 o   36.071   1.0204  1270.48   68.918  1265.62   86.646  1278.85  113.708   36.012   1.2395   36.130   1.6213 -0.1177979 2.040794 
1 1 1    3   49   18 o   34.932   1.0232  1189.74   67.104  1172.11   84.477  1219.88  110.467   34.624   1.2569   35.239   1.6149 -0.6151505 2.046344 
1 1 1    3   49   19 f   14.758   2.1187  216.943   59.356  151.576   76.983  312.769   93.209   11.937   3.2395   17.578   2.7316 -5.641645 4.237461 
1 1 1    3   49   20 o   26.183   1.3094  703.445   64.054  810.716   84.620  559.502   98.022   28.693   1.5193   23.672   2.1332 5.020967 2.618872 
1 1 1    3   49   21 o   9.7300   2.5351   87.428   62.814   90.294   83.463   83.683   95.394   9.7060   3.4833   9.7540   3.6844 -0.4801941E-01 5.070292 
1 1 1    3   49   22 o   10.369   2.5570  111.086   63.574  125.493   84.792   92.589   96.076   10.807   3.5213   9.9309   3.7085 0.8759079 5.113971 
1 1 1    3   49   23 o   11.070   2.6468  127.029   68.815   81.987   91.294  186.291  104.718   9.4425   3.5953   12.698   3.8855 -3.255874 5.293689 
1 1 1    3   50    0 o   37.620   5.4096  2289.74   86.067  2308.06   86.491  433.860  870.516   48.746   0.9140   26.495   10.781 22.25089 10.81930 
1 1 1    3   50    1 o   65.949   4.0757  4646.21  131.774  4657.19  132.971  4044.48  984.161   69.238   0.9893   62.660   8.0911 6.577835 8.151373 
1 1 1    3   50    2 o   22.175   1.3310  468.417   52.970  452.371   63.245  506.120   96.944   21.566   1.5108   22.785   2.1919 -1.218578 2.662095 
1 1 1    3   50    3 o   73.721   0.8905  5294.73  119.904  5318.56  146.734  5246.84  208.013   73.990   1.0216   73.452   1.4589 0.5371552 1.781028 
1 1 1    3   50    4 o   46.483   0.8431  2124.13   70.643  2166.87   85.778  2034.04  124.540   47.230   0.9356   45.736   1.4028 1.493904 1.686143 
1 1 1    3   50    5 o   71.545   0.8784  4961.24  115.053  4932.11  140.759  5019.88  199.709   71.248   1.0177   71.842   1.4320 -0.5943375 1.756853 
1 1 1    3   50    6 o   11.570   2.2218  148.326   55.326  199.723   66.947   37.607   98.260   14.082   2.5425   9.0569   3.6444 5.025550 4.443672 
1 1 1    3   50    7 o   22.859   1.5378  510.120   67.458  413.207   93.248  616.525   97.708   20.570   2.3353   25.147   2.0016 -4.576527 3.075690 
1 1 1    3   50    8 o   20.028   1.6098  408.915   59.478  465.471   76.767  323.982   94.076   21.859   1.8092   18.197   2.6632 3.661413 3.219581 
1 1 1    3   50    9 o   78.719   3.3894  6616.69  178.960  6648.40  182.089  5717.70  969.621   82.699   1.1343   74.740   6.6832 7.959297 6.778795 
1 1 1    3   50   10 o   94.685   1.0695  8638.04  186.071  8455.30  227.704  9005.29  322.810   93.238   1.2581   96.133   1.7298 -2.895187 2.138967 
1 1 1    3   50   11 o   51.324   0.8767  2555.89   83.732  2539.11  104.320  2586.29  140.384   51.104   1.0516   51.543   1.4031 -0.4386978 1.753420 
1 1 1    3   50   12 o   46.612   0.9306  2140.01   81.309  2215.67  103.445  2017.72  131.523   47.723   1.1166   45.501   1.4891 2.222645 1.861247 
1 1 1    3   50   13 o   25.819   1.3311  634.734   63.915  595.388   78.669  711.141  109.627   24.696   1.6410   26.941   2.0962 -2.245220 2.662122 
1 1 1    3   50   14 o   17.674   1.8876  301.965   62.658  283.887   78.218  334.342  104.678   16.983   2.3725   18.364   2.9365 -1.380035 3.775213 
1 1 1    3   50   15 o   30.801   1.1360  947.920   64.671  1000.15   81.325  858.090  106.659   32.019   1.3084   29.582   1.8574 2.436998 2.271981 
1 1 1    3   50   16 o   29.534   1.1919  860.139   66.223  877.454   84.367  832.346  106.886   29.960   1.4507   29.107   1.8917 0.8527756 2.383898 
1 1 1    3   50   17 o   19.727   1.6501  369.784   61.791  293.871   78.695  491.836   99.785   17.197   2.3574   22.258   2.3095 -5.061005 3.300195 
1 1 1    3   50   18 o   48.400   0.8776  2278.25   80.390  2230.43  102.352  2355.25  129.878   47.783   1.1035   49.017   1.3650 -1.234863 1.755215 
1 1 1    3   50   19 f   23.985   1.3872  583.476   62.639  630.789   81.511  515.236   97.891   25.277   1.6612   22.693   2.2222 2.583248 2.774498 
1 1 1    3   50   20 o   9.8961   2.4509   93.282   61.025  133.318   81.139   41.141   92.597   11.180   3.4201   8.6125   3.5115 2.567182 4.901817 
1 1 1    3   50   21 o   26.494   1.3336  709.468   67.333  750.751   88.939  654.034  103.062   27.492   1.6666   25.496   2.0823 1.995146 2.667145 
1 1 1    3   50   22 o   6.8535   2.1820 -49.1122   65.915   23.108   84.831 -159.1520  104.712   7.8026   3.2860   5.9045   2.8715 1.898153 4.363907 
1 1 1    3   50   23 o   16.185   2.3409  303.127   72.131  401.724   99.304  193.007  104.947   19.571   2.6139   12.799   3.8842 6.772186 4.681798 
1 1 1    3   51    0 o   33.110   5.6512  1160.60   71.801  1161.57   72.047  1019.22  868.877   34.575   1.0735   31.645   11.251 2.930210 11.30235 
1 1 1    3   51    1 o   32.842   5.4261  1454.43   73.540  1461.39   73.808  503.063  862.741   38.785   0.9803   26.900   10.808 11.88501 10.85215 
1 1 1    3   51    2 o   21.910   1.4139  463.176   54.773  456.640   64.959  479.252  101.881   21.664   1.5447   22.157   2.3687 -0.4931965 2.827882 
1 1 1    3   51    3 o   28.126   1.0881  778.835   55.887  797.351   68.738  742.723   95.993   28.638   1.2365   27.615   1.7907 1.023548 2.176143 
1 1 1    3   51    4 o   28.441   1.1798  807.000   59.113  836.069   70.852  740.416  107.229   29.324   1.2447   27.557   2.0045 1.766630 2.359521 
1 1 1    3   51    5 o   67.455   0.8731  4434.73  107.763  4456.59  132.138  4391.32  186.214   67.723   1.0051   67.187   1.4278 0.5365067 1.746101 
1 1 1    3   51    6 o   49.360   0.8462  2417.92   75.368  2509.53   92.046  2231.56  131.288   50.824   0.9330   47.896   1.4121 2.927448 1.692454 
1 1 1    3   51    7 o   40.526   1.0259  1599.40   80.626  1640.75  112.546  1555.81  115.557   41.067   1.4118   39.985   1.4888 1.082390 2.051754 
1 1 1    3   51    8 o   85.201   1.1257  7068.17  186.077  7065.98  259.044  7070.51  267.462   85.192   1.5664   85.210   1.6170 -0.1863098E-01 2.251301 
1 1 1    3   51    9 o   77.036   0.9579  5769.23  135.908  5757.89  167.497  5791.10  232.524   76.956   1.1212   77.117   1.5533 -0.1609116 1.915701 
1 1 1    3   51   10 o   48.132   0.9060  2213.13   80.444  2127.33   98.488  2385.09  139.433   46.773   1.0847   49.490   1.4514 -2.716599 1.811948 
1 1 1    3   51   11 o   20.044   1.6046  387.249   61.236  362.540   78.240  426.316   98.380   19.247   2.0941   20.842   2.4317 -1.594494 3.209107 
1 1 1    3   51   12 o   44.854   0.9253  1945.97   77.661  1908.67   97.172  2011.93  129.208   44.285   1.1304   45.424   1.4653 -1.139858 1.850657 
1 1 1    3   51   13 o   23.196   1.4578  496.131   63.525  404.399   78.715  667.455  107.574   20.312   1.9963   26.079   2.1250 -5.766344 2.915609 
1 1 1    3   51   14 o   24.426   1.3436  582.700   62.204  573.927   79.521  596.530   99.848   24.216   1.6917   24.635   2.0879 -0.4189167 2.687233 
1 1 1    3   51   15 o   11.687   2.5536  132.546   61.607  114.706   76.373  165.777  104.237   10.681   3.3266   12.693   3.8753 -2.011326 5.107254 
1 1 1    3   51   16 o   31.318   1.1594  957.685   67.387  946.783   83.618  977.884  113.818   31.113   1.3845   31.523   1.8600 -0.4101028 2.318730 
1 1 1    3   51   17 o   45.082   0.9172  1991.35   76.854  1996.26   95.855  1982.51  128.598   45.215   1.0921   44.949   1.4739 0.2666817 1.834378 
1 1 1    3   51   18 o   15.868   2.1290  294.040   61.057  393.531   79.271  148.936   95.734   19.880   2.0542   11.856   3.7297 8.024093 4.257941 
1 1 1    3   51   19 o   13.141   2.4118  189.505   62.143  208.929   81.858  163.084   95.471   13.993   3.0957   12.290   3.6991 1.702322 4.823538 
1 1 1    3   51   20 o   10.771   2.5723  118.329   62.920  104.055   81.355  139.575   99.255   10.104   3.4526   11.437   3.8139 -1.333107 5.144548 
1 1 1    3   51   21 o   7.8081   2.3564   10.353   65.006   48.590   83.599 -48.1234  103.384   8.4181   3.3706   7.1982   3.2939 1.219957 4.712873 
1 1 1    3   51   22 o   19.003   1.9120  367.690   69.545  310.208   90.006  452.854  109.555   17.216   2.6932   20.789   2.7147 -3.572945 3.824006 
1 1 1    3   52    0 o   71.413   3.3272  5362.24  146.354  5379.48  148.454  4765.95  873.234   74.403   1.0279   68.422   6.5746 5.981590 6.654479 
1 1 1    3   52    1 f   63.438   4.2117  4492.47  129.394  4508.92  130.601  3614.84  954.117   68.121   0.9876   58.756   8.3654 9.364971 8.423475 
1 1 1    3   52    2 o   68.198   0.8510  4548.01  107.108  4608.58  132.804  4435.29  181.164   68.869   0.9934   67.528   1.3821 1.341949 1.702028 
1 1 1    3   52    3 o   25.711   1.2678  666.355   56.337  695.982   66.861  593.824  104.613   26.754   1.2874   24.669   2.1845 2.084068 2.535683 
1 1 1    3   52    4 o   25.797   1.1916  598.180   56.824  495.069   68.699  821.544  101.113   22.553   1.5692   29.041   1.7936 -6.487484 2.383159 
1 1 1    3   52    5 o   11.045   2.3563  126.841   55.967  157.144   67.321   59.037  100.703   12.420   2.8523   9.6693   3.7515 2.751118 4.712680 
1 1 1    3   52    6 o   35.628   0.9317  1226.63   60.488  1211.65   73.557  1257.92  106.302   35.307   1.0732   35.949   1.5233 -0.6415634 1.863444 
1 1 1    3   52    7 o   42.938   0.8827  1796.35   68.051  1801.67   81.992  1784.59  121.997   43.057   0.9810   42.819   1.4677 0.2380524 1.765382 
1 1 1    3   52    8 o   74.953   1.0616  5465.77  154.385  5674.10  221.968  5270.55  214.873   76.336   1.4979   73.570   1.5046 2.765686 2.123107 
1 1 1    3   52    9 o   49.501   0.8856  2400.35   80.794  2436.06  100.078  2333.51  136.911   50.054   1.0300   48.948   1.4409 1.106224 1.771180 
1 1 1    3   52   10 o   45.374   0.9274  2015.07   77.706  2038.38   96.383  1971.78  131.346   45.775   1.0847   44.973   1.5045 0.8016930 1.854762 
1 1 1    3   52   11 o   23.079   1.4800  483.307   63.415  396.673   77.105  664.399  111.479   20.131   1.9731   26.026   2.2066 -5.895052 2.960073 
1 1 1    3   52   12 o   31.691   1.1040  961.301   65.669  908.947   81.953  1055.22  109.768   30.530   1.3828   32.853   1.7212 -2.322540 2.207926 
1 1 1    3   52   13 o   18.093   1.8848  344.750   60.406  389.505   76.960  272.934   97.488   19.919   1.9904   16.267   3.2012 3.651592 3.769554 
1 1 1    3   52   14 o   16.764   2.0228  282.831   60.678  279.301   74.509  289.783  104.553   16.821   2.2819   16.706   3.3407 0.1149921 4.045662 
1 1 1    3   52   15 o   22.828   1.4521  506.011   62.420  482.557   78.418  546.570  103.120   22.156   1.8233   23.500   2.2605 -1.344036 2.904224 
1 1 1    3   52   16 o   24.580   1.7524  607.424   80.698  589.976  131.456  617.975  102.227   24.197   2.7987   24.963   2.1096 -0.7666378 3.504732 
1 1 1    3   52   17 o   49.843   0.8984  2435.48   84.213  2439.39  106.699  2429.01  137.139   49.955   1.1003   49.732   1.4206 0.2236176 1.796858 
1 1 1    3   52   18 o   28.584   1.1866  793.866   64.923  732.657   83.877  885.342  102.539   27.259   1.5851   29.909   1.7661 -2.649828 2.373119 
1 1 1    3   52   19 o   13.019   2.4026  187.672   61.088  202.554   78.975  165.506   96.386   13.740   3.0414   12.299   3.7202 1.440954 4.805216 
1 1 1    3   52   20 f   14.689   2.3473  242.211   65.821  275.034   84.648  192.013  104.682   16.333   2.6699   13.046   3.8614 3.286578 4.694572 
1 1 1    3   52   21 o   8.2912   2.4663   30.216   65.547   26.578   82.637   36.387  107.633   7.7940   3.2605   8.7884   3.7013 -0.9943819 4.932614 
1 1 1    3   52   22 o   21.962   1.7603  494.250   74.116  400.834   98.518  616.061  112.500   19.544   2.5967   24.379   2.3773 -4.834087 3.520578 
1 1 1    3   53    0 o   20.230   4.9423  303.453   60.478  304.483   60.670  141.741  760.316   17.680   1.7678   22.780   9.7252 -5.100214 9.884592 
1 1 1    3   53    1 o   43.883   5.7436  2478.92   92.832  2488.38   93.322  1585.04  907.270   50.607   0.9500   37.160   11.448 13.44695 11.48726 
1 1 1    3   53    2 o   56.603   4.3726  3008.35  103.467  3002.56  104.058  3514.12  972.151   55.589   0.9643   57.618   8.6918 -2.029324 8.745142 
1 1 1    3   53    3 f   27.661   1.1732  767.221   57.723  803.943   69.904  688.516  102.338   28.753   1.2524   26.570   1.9842 2.182604 2.346390 
1 1 1    3   53    4 o   35.564   0.9552  1165.41   60.451  1077.68   71.137  1393.39  114.674   33.296   1.1006   37.831   1.5615 -4.534924 1.910442 
1 1 1    3   53    5 o   54.829   0.8562  2936.56   84.975  2960.11  103.221  2887.04  149.681   55.191   0.9635   54.467   1.4157 0.7240906 1.712430 
1 1 1    3   53    6 o   9.0804   2.3533   65.732   55.296   92.847   67.439   10.103   96.597   9.8142   3.1352   8.3465   3.5103 1.467649 4.706569 
1 1 1    3   53    7 o   43.409   0.9274  1880.35   72.837  1971.33   89.447  1701.27  125.486   45.030   1.0233   41.789   1.5469 3.241985 1.854755 
1 1 1    3   53    8 o   28.039   1.3668  766.026   74.017  664.683  101.919  879.127  107.670   26.074   2.0136   30.004   1.8486 -3.929623 2.733510 
1 1 1    3   53    9 o   29.196   1.2208  796.315   67.297  686.348   84.064  992.552  112.298   26.520   1.6329   31.872   1.8151 -5.351442 2.441542 
1 1 1    3   53   10 o   38.955   0.9869  1477.77   70.593  1474.72   86.725  1483.75  121.525   38.922   1.1478   38.987   1.6058 -0.6449509E-01 1.973827 
1 1 1    3   53   11 o   27.031   1.3134  717.612   65.243  722.490   80.422  708.221  111.587   27.204   1.5229   26.858   2.1403 0.3459301 2.626818 
1 1 1    3   53   12 o   23.553   1.3832  521.672   61.273  459.181   76.078  637.050  103.373   21.648   1.8104   25.458   2.0918 -3.810076 2.766454 
1 1 1    3   53   13 o   28.633   1.1779  795.780   63.222  776.219   79.229  830.069  104.899   28.184   1.4482   29.081   1.8582 -0.8976250 2.355860 
1 1 1    3   53   14 o   12.768   2.4405  154.556   60.596  111.070   74.618  238.772  103.841   10.500   3.2911   15.036   3.6045 -4.536185 4.880979 
1 1 1    3   53   15 o   23.954   1.3937  556.182   62.662  526.242   78.235  609.760  104.656   23.119   1.7433   24.788   2.1750 -1.669300 2.787380 
1 1 1    3   53   16 o   44.776   0.9175  1960.40   77.130  1948.72   97.309  1980.13  126.504   44.650   1.1227   44.902   1.4514 -0.2521095 1.834927 
1 1 1    3   53   17 f   33.975   1.0922  1142.32   69.421  1157.66   87.594  1116.43  113.836   34.352   1.3136   33.598   1.7454 0.7538414 2.184494 
1 1 1    3   53   18 o   8.5773   2.3930   50.825   59.409   72.813   76.386   17.164   94.513   9.0253   3.3187   8.1293   3.4484 0.8959665 4.785935 
1 1 1    3   53   19 o   8.9420   2.4684   62.400   62.228   80.846   79.722   33.638   99.550   9.2950   3.3945   8.5890   3.5846 0.7060213 4.936819 
1 1 1    3   53   20 o   15.433   2.3658  255.803   65.874  239.183   80.727  288.923  113.959   14.911   2.8934   15.956   3.7437 -1.045503 4.731522 
1 1 1    3   53   21 o   11.986   2.6118  163.208   65.939  155.357   85.537  174.707  103.518   11.700   3.4968   12.273   3.8805 -0.5730782 5.223588 
1 1 1    3   54    0 o   34.546   5.3015  944.374   70.561  938.815   70.834  1661.73  804.667   31.073   1.1743   38.020   10.538 -6.946680 10.60297 
1 1 1    3   54    1 o   22.763   5.2101  448.256   66.433  449.812   66.633  190.466  857.837   21.492   1.5972   24.034   10.297 -2.542364 10.42025 
1 1 1    3   54    2 o   27.440   5.8703  716.333   65.371  717.289   65.493  460.897  1070.70   27.157   1.2424   27.722   11.675 -0.5654602 11.74050 
1 1 1    3   54    3 o   9.1106   2.2854   71.061   52.877  103.243   63.368  -2.7284   95.953   10.171   3.0026   8.0502   3.4463 2.120933 4.570855 
1 1 1    3   54    4 o   7.4137   2.2726  -5.4720   56.490   1.2620   67.611 -21.0410  102.805   6.8506   2.9118   7.9768   3.4901 -1.126145 4.545208 
1 1 1    3   54    5 o   19.971   1.6362  417.459   58.153  476.211   72.669  312.832   96.975   22.100   1.6939   17.842   2.7999 4.257778 3.272405 
1 1 1    3   54    6 o   30.438   1.1498  909.755   62.876  920.425   75.977  886.568  112.006   30.751   1.2728   30.126   1.9153 0.6249847 2.299635 
1 1 1    3   54    7 o   20.772   1.5184  420.982   57.442  417.949   69.927  427.275  100.727   20.690   1.7411   20.855   2.4881 -0.1653385 3.036789 
1 1 1    3   54    8 o   33.934   1.1787  1123.95   77.633  1101.06  108.829  1147.68  110.775   33.582   1.6695   34.286   1.6644 -0.7042618 2.357400 
1 1 1    3   54    9 o   27.737   1.2484  735.447   64.643  694.634   80.044  811.983  109.613   26.678   1.5456   28.796   1.9610 -2.117245 2.496872 
1 1 1    3   54   10 o   37.625   0.9951  1349.73   69.765  1275.35   86.176  1491.19  118.847   36.178   1.2271   39.072   1.5670 -2.893593 1.990245 
1 1 1    3   54   11 o   33.709   1.1323  1150.78   69.188  1235.49   85.803  993.293  116.988   35.597   1.2417   31.822   1.8939 3.775097 2.264641 
1 1 1    3   54   12 o   5.8974   1.9572 -85.8935   57.951 -36.2774   71.853 -178.2350   98.024   6.1932   2.7993   5.6017   2.7362 0.5914760 3.914416 
1 1 1    3   54   13 o   11.557   2.4803  130.068   59.346  104.637   74.963  172.770   97.138   10.267   3.3081   12.847   3.6963 -2.580339 4.960503 
1 1 1    3   54   14 o   36.501   0.9854  1314.02   67.890  1346.17   87.047  1264.08  108.473   37.116   1.2082   35.886   1.5571 1.229538 1.970870 
1 1 1    3   54   15 o   14.606   2.2270  238.473   60.521  281.513   76.086  164.329   99.863   16.781   2.3357   12.432   3.7925 4.348672 4.454096 
1 1 1    3   54   16 o   35.262   1.0595  1201.83   70.269  1139.62   88.032  1311.06  116.655   34.078   1.3308   36.445   1.6489 -2.366959 2.118927 
1 1 1    3   54   17 o   20.963   1.5349  435.850   61.437  416.697   79.284  464.635   97.197   20.443   1.9979   21.484   2.3306 -1.041105 3.069788 
1 1 1    3   54   18 o   20.365   1.6679  416.050   64.451  399.785   82.218  441.977  103.806   19.936   2.1245   20.793   2.5718 -0.8566341 3.335828 
1 1 1    3   54   19 o   24.868   1.4713  643.693   67.369  700.272   85.480  550.927  109.454   26.529   1.6599   23.207   2.4296 3.321505 2.942500 
1 1 1    3   54   20 o   10.853   2.6207  129.961   67.097  151.601   84.759   93.637  109.814   11.615   3.4830   10.091   3.9169 1.523609 5.241499 
1 1 1    3   54   21 o   29.271   1.3241  878.058   73.084  919.903   94.405  815.470  115.458   30.313   1.6044   28.230   2.1069 2.082823 2.648230 
1 1 1    3   55    0 o   19.721   6.3603 -72.9148   66.163 -78.4264   66.288  1381.42  1076.78   5.2064   2.4651   34.236   12.480 -29.02981 12.72066 
1 1 1    3   55    1 o   20.633   4.9087  399.623   68.662  404.233   68.854 -423.9774  920.371   20.359   1.7422   20.908   9.6615 -0.5487518 9.817351 
1 1 1    3   55    2 f   16.522   5.3801  116.577   64.236  118.804   64.349 -513.1426  1082.07   10.817   2.9728   22.226   10.341 -11.40975 10.76021 
1 1 1    3   55    3 o   18.261   1.7703  316.076   58.617  297.615   70.289  358.233  106.219   17.446   2.0755   19.076   2.8684 -1.630253 3.540587 
1 1 1    3   55    4 o   51.693   0.8746  2581.83   81.991  2548.10   99.246  2654.32  145.510   51.191   0.9988   52.196   1.4361 -1.004910 1.749276 
1 1 1    3   55    5 o   38.885   1.1151  1477.92   83.953  1529.66  115.988  1420.98  121.670   39.610   1.5085   38.161   1.6425 1.448944 2.230111 
1 1 1    3   55    6 o   34.721   1.0377  1168.24   64.060  1157.72   76.379  1193.20  117.632   34.490   1.1408   34.952   1.7338 -0.4620247 2.075444 
1 1 1    3   55    7 o   35.891   0.9636  1262.59   62.388  1275.00   75.608  1236.10  110.436   36.197   1.0760   35.585   1.5987 0.6121712 1.927132 
1 1 1    3   55    8 o   26.738   1.2298  710.886   56.881  725.884   67.116  672.650  107.162   27.294   1.2668   26.183   2.1084 1.110613 2.459699 
1 1 1    3   55    9 o   36.509   1.0182  1294.14   69.129  1277.25   85.929  1325.12  116.386   36.202   1.2228   36.816   1.6285 -0.6141663 2.036490 
1 1 1    3   55   10 o   9.3749   2.3422   72.827   58.595  123.219   73.177 -17.2136   97.818   10.986   3.2220   7.7638   3.4004 3.222250 4.684471 
1 1 1    3   55   11 f   31.578   1.1010  980.183   64.268  990.866   79.817  960.487  108.376   31.863   1.2904   31.292   1.7841 0.5707989 2.201911 
1 1 1    3   55   12 o   39.736   0.9819  1541.93   72.966  1536.93   91.593  1550.60  120.713   39.686   1.1889   39.785   1.5630 -0.9841156E-01 1.963836 
1 1 1    3   55   13 o   13.478   2.2373  200.853   59.488  252.719   76.311  120.516   94.975   15.911   2.4707   11.045   3.7307 4.866888 4.474599 
1 1 1    3   55   14 o   18.060   1.7528  327.746   60.815  331.642   80.775  322.649   92.402   18.228   2.2828   17.891   2.6606 0.3369446 3.505652 
1 1 1    3   55   15 o   9.7007   2.4428   78.114   58.179   43.126   74.565  132.559   93.016   8.1089   3.2037   11.293   3.6886 -3.183596 4.885651 
1 1 1    3   55   16 o   18.631   1.7646  354.284   61.603  365.510   78.429  336.204   99.536   19.125   2.1126   18.137   2.8272 0.9878311 3.529286 
1 1 1    3   55   17 o   15.017   2.2986  238.309   64.301  206.487   83.203  285.500  101.324   13.811   3.1706   16.223   3.3290 -2.412455 4.597283 
1 1 1    3   55   18 o   25.337   1.4284  618.628   68.509  529.033   85.999  774.232  113.335   22.971   1.9286   27.703   2.1075 -4.732372 2.856777 
1 1 1    3   55   19 o   21.217   1.8559  489.187   69.425  531.329   85.017  404.836  120.280   22.980   1.9058   19.453   3.1853 3.527565 3.711864 
1 1 1    3   55   20 o   10.710   2.6844  117.379   69.655   81.018   89.921  171.931  110.141   9.3076   3.5623   12.113   4.0166 -2.805528 5.368700 
1 1 1    3   56    0 o   26.978   5.0751  1046.66   72.289  1054.34   72.424 -1006.0420  1183.86   32.917   1.1334   21.038   10.087 11.87890 10.15028 
1 1 1    3   56    1 o   30.309   6.5738  711.463   68.977  709.156   69.087  1438.72  1226.76   26.984   1.3189   33.635   13.081 -6.650976 13.14765 
1 1 1    3   56    2 o   33.406   7.4746  905.289   72.408  903.459   72.475  1885.86  1677.95   30.463   1.2256   36.350   14.899 -5.886965 14.94926 
1 1 1    3   56    3 o   25.309   1.2253  635.612   57.362  660.854   71.856  591.263   95.245   26.039   1.4216   24.579   1.9962 1.459431 2.450696 
1 1 1    3   56    4 o   39.778   0.9654  1505.49   69.351  1446.21   83.158  1640.89  125.678   38.550   1.1113   41.007   1.5788 -2.457100 1.930714 
1 1 1    3   56    5 o   7.4589   2.2350 -83.7186   57.352 -154.3086   68.084   88.756  106.424   4.3828   2.1678   10.535   3.9092 -6.152309 4.470039 
1 1 1    3   56    6 o   32.660   1.0909  1054.95   61.771  1072.32   72.888  1010.68  116.366   33.187   1.1314   32.134   1.8655 1.053642 2.181806 
1 1 1    3   56    7 o   52.120   0.8765  2633.81   82.305  2611.33   99.178  2683.56  147.513   51.803   0.9863   52.437   1.4492 -0.6335754 1.752981 
1 1 1    3   56    8 o   31.290   1.1174  929.118   62.003  890.614   73.255  1026.37  116.424   30.223   1.2486   32.357   1.8536 -2.133961 2.234886 
1 1 1    3   56    9 o   45.758   0.9228  2055.29   77.763  2082.44   96.221  2004.17  132.038   46.236   1.0721   45.280   1.5022 0.9558945 1.845502 
1 1 1    3   56   10 o   10.503   2.4787  106.890   57.998  111.973   72.175   97.627   97.441   10.523   3.2267   10.482   3.7635 0.4069519E-01 4.957378 
1 1 1    3   56   11 o   21.547   1.5557  477.087   60.637  516.185   75.336  405.159  102.182   22.932   1.6924   20.162   2.6109 2.770340 3.111380 
1 1 1    3   56   12 o   18.896   1.7193  368.289   59.638  400.642   75.349  314.033   97.576   20.140   1.9273   17.651   2.8478 2.489286 3.438650 
1 1 1    3   56   13 o   35.529   1.0013  1254.78   66.510  1303.56   84.435  1175.04  107.961   36.507   1.1915   34.551   1.6097 1.955639 2.002670 
1 1 1    3   56   14 f   5.9181   1.9778 -86.9561   58.175 -99.4107   75.216 -68.4133   91.777   5.3107   2.5452   6.5254   3.0279 -1.214687 3.955542 
1 1 1    3   56   15 o   38.409   0.9798  1426.62   71.117  1353.79   89.771  1549.35  116.537   37.160   1.2445   39.659   1.5138 -2.498531 1.959661 
1 1 1    3   56   16 o   35.617   1.0761  1245.72   71.715  1225.93   89.851  1280.46  119.037   35.309   1.3109   35.924   1.7070 -0.6153374 2.152267 
1 1 1    3   56   17 o   27.356   1.3552  755.758   69.248  774.522   87.558  724.418  113.158   27.935   1.6146   26.776   2.1771 1.159172 2.710462 
1 1 1    3   56   18 o   19.634   1.8105  385.524   66.645  352.300   82.713  447.014  112.526   18.583   2.2930   20.685   2.8024 -2.102364 3.620983 
1 1 1    3   56   19 o   20.310   1.8436  421.398   70.485  392.089   88.272  472.966  117.087   19.504   2.3314   21.115   2.8566 -1.611095 3.687207 
1 1 1    3   57    0 o   7.5209   2.9157   36.171   60.795   36.171   60.795   0.0000   0.0000   7.5209   2.9157  ?   ?       ?      ? 
1 1 1    3   57    1 o   58.672   6.5151  4145.12  127.352  4148.99  127.960  3741.21  1308.24   65.305   1.0094   52.038   12.991 13.26697 13.03029 
1 1 1    3   57    2 o   23.960   5.8475  565.834   69.520  569.001   69.575 -1439.7290  1750.85   24.150   1.4841   23.770   11.600 0.3799400 11.69496 
1 1 1    3   57    3 o   37.265   6.9901  1756.22   86.873  1757.48   86.998  1318.21  1620.72   42.496   1.0546   32.035   13.940 10.46090 13.98019 
1 1 1    3   57    4 o   48.571   0.9183  2293.16   78.712  2284.27   93.459  2314.85  145.993   48.452   0.9937   48.689   1.5447 -0.2371407 1.836676 
1 1 1    3   57    5 o   20.190   1.5718  384.541   56.668  361.157   67.064  442.917  105.962   19.206   1.7988   21.173   2.5781 -1.966848 3.143606 
1 1 1    3   57    6 o   14.666   2.1800  257.117   57.868  321.864   70.033  117.771  102.740   18.107   1.9925   11.225   3.8781 6.882020 4.360010 
1 1 1    3   57    7 f   42.324   0.9412  1701.74   70.377  1639.77   83.006  1860.20  132.727   41.034   1.0421   43.613   1.5678 -2.578892 1.882493 
1 1 1    3   57    8 o   33.857   1.0747  1154.27   64.490  1208.06   77.889  1037.01  115.003   35.205   1.1398   32.509   1.8224 2.695015 2.149423 
1 1 1    3   57    9 o   28.055   1.1913  831.481   53.662  887.151   61.929  663.731  107.502   30.172   1.0574   25.938   2.1351 4.234312 2.382567 
1 1 1    3   57   10 o   11.736   2.2500  156.600   60.236  226.956   73.711   15.155  104.513   14.870   2.6508   8.6016   3.6363 6.268192 4.499920 
1 1 1    3   57   11 o   15.966   1.9859  249.052   58.956  210.861   74.020  315.320   97.504   14.252   2.7754   17.679   2.8412 -3.427193 3.971766 
1 1 1    3   57   12 f   21.401   1.5538  479.817   60.804  554.503   78.394  367.040   96.332   23.712   1.7032   19.091   2.5994 4.620440 3.107674 
1 1 1    3   57   13 o   29.495   1.1724  865.794   65.519  893.564   84.787  824.631  103.227   30.146   1.4489   28.845   1.8436 1.301085 2.344800 
1 1 1    3   57   14 o   16.402   2.0905  288.201   63.060  324.510   82.895  238.327   97.154   17.958   2.3779   14.846   3.4388 3.112899 4.180905 
1 1 1    3   57   15 o   24.683   1.4046  584.747   65.645  505.073   82.450  722.698  108.492   22.512   1.8867   26.853   2.0813 -4.340811 2.809217 
1 1 1    3   57   16 o   8.5258   2.4746   39.317   63.375   31.324   79.260   53.485  105.527   7.8577   3.2314   9.1940   3.7487 -1.336279 4.949187 
1 1 1    3   57   17 o   18.939   1.8801  350.744   66.238  303.334   80.875  447.341  115.441   17.206   2.4214   20.672   2.8768 -3.465998 3.760165 
1 1 1    3   57   18 o   19.721   2.0555  418.485   72.192  424.753   89.348  406.698  122.525   20.358   2.2609   19.085   3.4335 1.273085 4.111073 
1 1 1    3   57   19 o   21.762   1.8339  499.440   73.393  504.672   91.009  489.709  124.116   22.205   2.1114   21.319   2.9992 0.8860569 3.667859 
1 1 1    3   58    0 o   55.885   0.9818  3039.18  106.512  3039.18  106.512   0.0000   0.0000   55.885   0.9818  ?   ?       ?      ? 
1 1 1    3   58    1 o   29.833   1.1747  867.102   68.027  867.102   68.027   0.0000   0.0000   29.833   1.1747  ?   ?       ?      ? 
1 1 1    3   58    2 o   8.9687   3.1080   72.970   66.012   72.970   66.012   0.0000   0.0000   8.9687   3.1080  ?   ?       ?      ? 
1 1 1    3   58    3 o   49.194   8.0488  3305.73  111.423  3305.37  111.615  3410.85  1900.42   58.275   0.9867   40.112   16.067 18.16265 16.09761 
1 1 1    3   58    4 o   9.5778   2.4351   80.615   55.491   91.158   66.093   55.432  102.148   9.6529   3.1058   9.5028   3.7513 0.1501141 4.870138 
1 1 1    3   58    5 o   20.012   1.6389  392.837   57.909  389.443   68.754  401.123  107.422   19.933   1.7769   20.092   2.7543 -0.1589832 3.277765 
1 1 1    3   58    6 o   37.841   1.0382  1472.21   68.456  1582.24   82.434  1227.72  122.878   40.302   1.0537   35.380   1.7892 4.922100 2.076392 
1 1 1    3   58    7 o   27.215   1.2152  704.911   59.361  672.268   70.730  782.679  109.172   26.229   1.3892   28.200   1.9943 -1.971176 2.430454 
1 1 1    3   58    8 o   18.117   1.8674  332.566   57.927  334.120   69.033  328.869  106.493   18.420   1.9306   17.814   3.1970 0.6058025 3.734764 
1 1 1    3   58    9 o   18.243   1.6392  328.388   50.787  325.792   58.924  335.889  100.160   18.208   1.6672   18.278   2.8230 -0.7024574E-01 3.278497 
1 1 1    3   58   10 o   10.251   2.3911   84.638   57.083   32.973   71.912  172.644   93.856   7.7683   3.1206   12.733   3.6238 -4.964417 4.782281 
1 1 1    3   58   11 o   21.785   1.4832  471.210   60.622  468.102   76.444  476.478   99.512   21.757   1.8100   21.813   2.3501 -0.5611038E-01 2.966300 
1 1 1    3   58   12 o   26.907   1.2815  717.653   65.675  720.107   85.176  714.055  103.135   27.017   1.6241   26.797   1.9827 0.2199192 2.562976 
1 1 1    3   58   13 o   19.134   1.7591  374.803   63.539  395.334   82.404  344.697   99.787   19.888   2.1345   18.381   2.7966 1.506901 3.518137 
1 1 1    3   58   14 o   21.448   1.6629  482.212   65.780  537.532   84.426  396.744  104.939   23.229   1.8723   19.667   2.7487 3.562092 3.325794 
1 1 1    3   58   15 o   17.681   1.9670  317.496   66.218  295.039   84.597  353.022  106.401   16.968   2.5683   18.394   2.9800 -1.425251 3.934004 
1 1 1    3   58   16 o   9.9074   2.5852   76.406   63.876   37.528   78.003  155.551  111.293   7.9409   3.2286   11.874   4.0383 -3.933058 5.170324 
1 1 1    3   58   17 o   10.588   2.6937  109.691   68.827   82.227   86.276  157.762  114.143   9.3454   3.5095   11.830   4.0876 -2.484513 5.387476 
1 1 1    3   58   18 o   14.969   2.5437  262.223   71.417  271.306   89.712  246.507  118.003   15.653   3.0622   14.285   4.0625 1.367286 5.087360 
1 1 1    3   59    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   59    1 o   27.721   1.3040  749.867   70.172  749.867   70.172   0.0000   0.0000   27.721   1.3040  ?   ?       ?      ? 
1 1 1    3   59    2 o   10.824   2.8613  120.841   61.031  120.841   61.031   0.0000   0.0000   10.824   2.8613  ?   ?       ?      ? 
1 1 1    3   59    3 o   5.9630   2.6618 -23.8293   62.749 -23.8293   62.749   0.0000   0.0000   5.9630   2.6618  ?   ?       ?      ? 
1 1 1    3   59    4 o   6.5918   2.0721 -34.4495   55.967   18.867   66.050 -170.1876  105.388   7.1847   2.9517   5.9989   2.9090 1.185780 4.144242 
1 1 1    3   59    5 o   7.8991   2.3565   11.643   56.925   5.5914   67.662   26.302  105.312   6.8992   2.9217   8.8989   3.6981 -1.999639 4.713004 
1 1 1    3   59    6 f   7.7981   2.3230   3.7596   55.699 -15.1823   66.534   48.134  101.834   6.3386   2.7896   9.2575   3.7154 -2.918833 4.646080 
1 1 1    3   59    7 o   11.923   2.0820  172.574   54.543  237.548   64.337   6.5613  102.839   15.490   2.1397   8.3559   3.5722 7.134090 4.164011 
1 1 1    3   59    8 o   34.480   0.9917  1156.60   61.026  1143.77   72.955  1186.48  111.365   34.228   1.0980   34.733   1.6517 -0.5052681 1.983407 
1 1 1    3   59    9 o   7.1053   2.1701  -8.4971   48.172 -23.4358   55.759   35.465   95.653   5.5391   2.4882   8.6715   3.5561 -3.132382 4.340152 
1 1 1    3   59   10 o   10.103   2.4305  102.290   58.008  125.830   72.767   61.249   96.081   10.927   3.2153   9.2776   3.6458 1.649916 4.861086 
1 1 1    3   59   11 o   15.766   2.1355  263.999   62.011  280.810   79.546  237.956   99.009   16.699   2.4539   14.834   3.4957 1.865042 4.271012 
1 1 1    3   59   12 o   12.913   2.4344  182.960   61.674  195.619   79.032  163.246   98.626   13.532   3.0782   12.294   3.7723 1.237316 4.868796 
1 1 1    3   59   13 o   14.150   2.3710  210.791   62.841  182.497   79.673  257.367  102.223   12.981   3.1857   15.319   3.5125 -2.338231 4.741971 
1 1 1    3   59   14 o   15.352   2.2822  260.771   64.975  284.548   82.439  221.779  105.569   16.671   2.5474   14.033   3.7875 2.637952 4.564458 
1 1 1    3   59   15 o   13.912   2.5025  216.899   65.410  218.708   80.283  213.327  112.811   14.203   3.0056   13.621   4.0021 0.5823240 5.005096 
1 1 1    3   59   16 f   9.9987   2.6015  100.123   65.174  108.375   80.629   84.567  110.702   10.099   3.4373   9.8983   3.9059 0.2007618 5.202935 
1 1 1    3   59   17 o   18.116   2.1823  352.795   71.716  337.838   89.046  380.406  120.987   17.965   2.5534   18.268   3.5397 -0.3024788 4.364528 
1 1 1    3   60    0 o   25.729   1.4159  647.182   70.719  647.182   70.719   0.0000   0.0000   25.729   1.4159  ?   ?       ?      ? 
1 1 1    3   60    1 o   6.8455   2.8723   9.4920   64.425   9.4920   64.425   0.0000   0.0000   6.8455   2.8723  ?   ?       ?      ? 
1 1 1    3   60    2 o   27.031   1.3414  713.986   70.388  713.986   70.388   0.0000   0.0000   27.031   1.3414  ?   ?       ?      ? 
1 1 1    3   60    3 o   22.199   1.5402  482.750   66.368  482.750   66.368   0.0000   0.0000   22.199   1.5402  ?   ?       ?      ? 
1 1 1    3   60    4 o   15.707   1.9231  223.357   54.453  166.551   65.433  351.324   98.207   12.672   2.7397   18.741   2.6995 -6.069090 3.846201 
1 1 1    3   60    5 o   33.018   1.0498  1048.93   62.185  1018.22   74.333  1120.54  113.504   32.287   1.1860   33.749   1.7325 -1.462669 2.099595 
1 1 1    3   60    6 o   41.673   0.9123  1684.67   69.433  1656.75   84.559  1742.45  121.653   41.203   1.0572   42.143   1.4871 -0.9402428 1.824583 
1 1 1    3   60    7 o   21.040   1.5944  447.328   58.354  455.761   69.141  426.447  108.794   21.515   1.6555   20.564   2.7254 0.9514999 3.188829 
1 1 1    3   60    8 o   34.650   1.0128  1195.84   62.750  1223.81   75.813  1134.99  111.820   35.385   1.1037   33.915   1.6985 1.469700 2.025578 
1 1 1    3   60    9 o   19.763   1.5638  401.227   51.776  412.837   60.270  368.526  101.150   20.478   1.5162   19.048   2.7356 1.430298 3.127657 
1 1 1    3   60   10 o   17.338   1.9054  338.184   52.302  370.781   61.421  252.192   99.759   19.383   1.6324   15.293   3.4434 4.090636 3.810708 
1 1 1    3   60   11 o   8.6399   2.4094   50.969   60.622   78.037   76.500   5.2812   99.388   9.2082   3.3309   8.0715   3.4821 1.136774 4.818747 
1 1 1    3   60   12 o   13.127   2.4179  167.340   65.944   78.907   83.991  309.467  106.478   9.3602   3.4729   16.893   3.3652 -7.533257 4.835852 
1 1 1    3   60   13 f   12.213   2.5884  157.616   64.986  128.402   82.349  205.843  105.807   10.921   3.4619   13.506   3.8489 -2.585449 5.176768 
1 1 1    3   60   14 o   14.873   2.2924  211.066   64.840  131.090   79.244  373.070  112.785   10.959   3.3845   18.786   3.0928 -7.827226 4.584751 
1 1 1    3   60   15 o   18.300   1.9761  335.986   67.868  294.404   84.004  414.142  115.167   16.848   2.5685   19.751   3.0038 -2.902874 3.952263 
1 1 1    3   60   16 o   17.623   2.1974  332.638   71.234  310.689   89.510  370.551  117.641   17.168   2.6859   18.079   3.4784 -0.9109974 4.394711 
1 1 1    3   61    0 o   12.825   2.6431  170.325   63.615  170.325   63.615   0.0000   0.0000   12.825   2.6431  ?   ?       ?      ? 
1 1 1    3   61    1 o   20.643   1.6459  418.767   65.952  418.767   65.952   0.0000   0.0000   20.643   1.6459  ?   ?       ?      ? 
1 1 1    3   61    2 o   25.247   1.3695  624.198   67.119  624.198   67.119   0.0000   0.0000   25.247   1.3695  ?   ?       ?      ? 
1 1 1    3   61    3 o   6.9738   2.8829   17.034   63.520   17.034   63.520   0.0000   0.0000   6.9738   2.8829  ?   ?       ?      ? 
1 1 1    3   61    4 o   18.458   1.8343  336.376   65.724  336.376   65.724   0.0000   0.0000   18.458   1.8343  ?   ?       ?      ? 
1 1 1    3   61    5 f   20.661   1.6558  463.873   58.315  522.130   70.649  339.322  103.301   23.039   1.5797   18.284   2.9106 4.755268 3.311629 
1 1 1    3   61    6 o   7.9898   2.3655   16.976   56.705   5.1631   67.428   45.512  104.799   6.8123   2.9019   9.1673   3.7365 -2.354965 4.731034 
1 1 1    3   61    7 o   25.161   1.3500  624.026   60.051  617.956   71.366  638.746  111.135   25.067   1.4667   25.256   2.2669 -0.1892128 2.699961 
1 1 1    3   61    8 o   11.431   2.4335  123.190   56.120   89.925   67.960  194.501   99.503   9.4929   3.1554   13.370   3.7056 -3.877064 4.867000 
1 1 1    3   61    9 o   19.178   1.6437  385.211   53.916  405.966   63.942  334.148  100.293   20.278   1.6244   18.078   2.8579 2.199120 3.287305 
1 1 1    3   61   10 o   23.706   1.3580  555.139   53.474  550.612   61.364  569.427  109.010   23.666   1.3357   23.746   2.3649 -0.8041382E-01 2.716027 
1 1 1    3   61   11 o   14.153   2.3569  228.242   64.656  269.042   81.568  159.270  106.054   16.221   2.5904   12.085   3.9382 4.136505 4.713766 
1 1 1    3   61   12 o   29.996   1.2961  903.343   72.784  917.203   92.049  880.221  118.892   30.422   1.5587   29.570   2.0713 0.8522911 2.592260 
1 1 1    3   61   13 o   9.3916   2.5735   75.459   65.102   82.047   80.081   62.620  111.796   9.2861   3.4005   9.4971   3.8637 -0.2109661 5.147022 
1 1 1    3   61   14 o   16.705   2.2763  319.025   67.336  349.586   83.026  260.287  115.103   18.468   2.3160   14.943   3.9195 3.524843 4.552589 
1 1 1    3   61   15 o   18.435   2.1306  370.313   71.199  374.356   89.677  363.420  117.106   18.982   2.4338   17.888   3.4978 1.093485 4.261203 
1 1 1    3   62    0 o   16.235   2.1177  262.085   66.740  262.085   66.740   0.0000   0.0000   16.235   2.1177  ?   ?       ?      ? 
1 1 1    3   62    1 o   25.369   1.3379  630.807   65.885  630.807   65.885   0.0000   0.0000   25.369   1.3379  ?   ?       ?      ? 
1 1 1    3   62    2 f   9.9554   3.0549  102.139   64.680  102.139   64.680   0.0000   0.0000   9.9554   3.0549  ?   ?       ?      ? 
1 1 1    3   62    3 o   7.8557   3.0291   44.853   65.342   44.853   65.342   0.0000   0.0000   7.8557   3.0291  ?   ?       ?      ? 
1 1 1    3   62    4 o   9.3917   3.1344   87.487   67.035   87.487   67.035   0.0000   0.0000   9.3917   3.1344  ?   ?       ?      ? 
1 1 1    3   62    5 o   29.750   1.1638  796.829   60.650  707.941   70.232  1057.53  120.278   26.856   1.3472   32.644   1.8981 -5.788460 2.327592 
1 1 1    3   62    6 o   36.380   1.0494  1296.02   67.619  1287.08   80.481  1317.46  124.686   36.268   1.1432   36.491   1.7602 -0.2237320 2.098839 
1 1 1    3   62    7 o   17.020   2.0993  348.240   58.265  414.024   70.189  202.428  104.497   20.448   1.7683   13.593   3.8081 6.854952 4.198659 
1 1 1    3   62    8 o   23.699   1.4287  582.973   59.719  620.320   72.380  503.335  105.694   25.087   1.4863   22.312   2.4404 2.775700 2.857341 
1 1 1    3   62    9 f   10.648   2.4039  121.562   54.261  132.344   64.214   94.641  101.468   11.116   2.9332   10.180   3.8093 0.9355049 4.807743 
1 1 1    3   62   10 o   16.085   2.0195  276.045   53.397  280.591   62.154  263.238  104.330   16.752   1.9114   15.419   3.5580 1.332689 4.038923 
1 1 1    3   62   11 o   19.599   1.6574  388.380   52.591  386.282   59.802  395.541  110.476   19.737   1.5609   19.461   2.9244 0.2759342 3.314881 
1 1 1    3   62   12 o   29.603   1.3214  898.495   72.201  950.657   90.910  809.388  118.821   30.958   1.5128   28.248   2.1669 2.710266 2.642722 
1 1 1    3   62   13 f   28.831   1.3520  827.617   72.804  800.315   90.716  877.020  122.032   28.308   1.6508   29.353   2.1417 -1.044872 2.704065 
1 1 1    3   62   14 o   19.640   1.8884  409.015   67.976  415.853   84.172  396.193  115.263   20.149   2.1521   19.132   3.1036 1.016699 3.776727 
1 1 1    3   63    0 o   7.7689   2.9968   44.047   63.978   44.047   63.978   0.0000   0.0000   7.7689   2.9968  ?   ?       ?      ? 
1 1 1    3   63    1 o   7.0301   2.9102   18.317   64.859   18.317   64.859   0.0000   0.0000   7.0301   2.9102  ?   ?       ?      ? 
1 1 1    3   63    2 o   21.875   1.5929  471.771   67.640  471.771   67.640   0.0000   0.0000   21.875   1.5929  ?   ?       ?      ? 
1 1 1    3   63    3 o   5.6284   2.5946 -45.8543   65.784 -45.8543   65.784   0.0000   0.0000   5.6284   2.5946  ?   ?       ?      ? 
1 1 1    3   63    4 o   6.6640   2.8766  -1.1695   67.907  -1.1695   67.907   0.0000   0.0000   6.6640   2.8766  ?   ?       ?      ? 
1 1 1    3   63    5 o   17.704   1.6194  315.420   54.639  317.976   71.080  311.728   85.423   17.851   2.0512   17.558   2.5064 0.2939358 3.238734 
1 1 1    3   63    6 o   8.1580   2.2944   42.032   55.704   72.354   67.017 -25.7358  100.188   8.7929   3.1249   7.5231   3.3604 1.269788 4.588831 
1 1 1    3   63    7 o   8.5475   2.4443   38.306   59.038   21.891   71.248   74.273  105.465   7.3498   3.0470   9.7451   3.8229 -2.395335 4.888638 
1 1 1    3   63    8 o   14.713   2.1655  196.046   58.619  127.463   69.948  357.846  107.438   10.880   3.1385   18.545   2.9845 -7.664949 4.330953 
1 1 1    3   63    9 o   20.880   1.5219  417.860   54.827  393.221   63.491  490.108  108.721   19.898   1.6438   21.862   2.5619 -1.964115 3.043894 
1 1 1    3   63   10 o   8.7073   2.4337   44.162   54.086   25.042   62.406  101.871  108.418   7.0315   2.8766   10.383   3.9265 -3.351731 4.867462 
1 1 1    3   63   11 o   14.331   2.2629  180.299   55.872  125.342   64.007  356.224  114.518   10.724   2.9719   17.939   3.4133 -7.215171 4.525814 
1 1 1    3   63   12 o   14.484   2.5830  243.057   70.797  250.133   87.944  230.028  119.341   15.063   3.1107   13.906   4.1245 1.156743 5.166084 
1 1 1    3   63   13 o   13.099   2.6344  207.623   69.876  228.480   85.285  165.029  121.876   14.284   3.1596   11.915   4.2163 2.369211 5.268788 
1 1 1    3   64    0 o   16.312   2.0724  265.740   65.621  265.740   65.621   0.0000   0.0000   16.312   2.0724  ?   ?       ?      ? 
1 1 1    3   64    1 f   17.070   2.0602  291.011   68.265  291.011   68.265   0.0000   0.0000   17.070   2.0602  ?   ?       ?      ? 
1 1 1    3   64    2 o   10.761   3.1396  123.057   69.644  123.057   69.644   0.0000   0.0000   10.761   3.1396  ?   ?       ?      ? 
1 1 1    3   64    3 o   8.1574   3.0861   53.953   66.997   53.953   66.997   0.0000   0.0000   8.1574   3.0861  ?   ?       ?      ? 
1 1 1    3   64    4 o   13.389   2.8427  190.488   71.598  190.488   71.598   0.0000   0.0000   13.389   2.8427  ?   ?       ?      ? 
1 1 1    3   64    5 o   29.774   1.3485  872.608   77.941  872.608   77.941   0.0000   0.0000   29.774   1.3485  ?   ?       ?      ? 
1 1 1    3   64    6 o   16.715   2.0222  290.032   59.939  283.949   72.947  302.674  105.163   16.763   2.2417   16.667   3.3664 0.9656906E-01 4.044473 
1 1 1    3   64    7 o   19.932   1.8249  437.683   60.908  481.869   73.979  344.709  107.310   22.000   1.7323   17.864   3.2126 4.135969 3.649871 
1 1 1    3   64    8 o   34.357   1.0719  1145.31   66.748  1103.84   80.404  1237.24  119.721   33.494   1.2367   35.220   1.7511 -1.726250 2.143771 
1 1 1    3   64    9 o   11.895   2.4264  163.552   56.230  177.505   64.534  119.563  114.585   12.889   2.6672   10.902   4.0541 1.987571 4.852829 
1 1 1    3   64   10 o   16.994   2.0849  293.179   55.361  280.585   62.332  340.228  120.476   16.687   1.9242   17.301   3.6993 -0.6138344 4.169821 
1 1 1    3   64   11 o   6.7235   2.2010 -57.3690   55.882 -79.3672   63.773   15.378  115.972   4.9001   2.3472   8.5469   3.7240 -3.646788 4.401982 
1 1 1    3   64   12 o   15.985   2.1070  269.318   55.511  259.821   63.954  298.330  111.779   15.951   2.0654   16.018   3.6732 -0.6639004E-01 4.214087 
1 1 1    3   65    0 o   17.236   2.0358  297.755   68.114  297.755   68.114   0.0000   0.0000   17.236   2.0358  ?   ?       ?      ? 
1 1 1    3   65    1 o   10.732   3.0497  123.571   66.526  123.571   66.526   0.0000   0.0000   10.732   3.0497  ?   ?       ?      ? 
1 1 1    3   65    2 o   9.2320   3.2241   83.597   71.103   83.597   71.103   0.0000   0.0000   9.2320   3.2241  ?   ?       ?      ? 
1 1 1    3   65    3 o   13.987   2.6126  206.026   68.329  206.026   68.329   0.0000   0.0000   13.987   2.6126  ?   ?       ?      ? 
1 1 1    3   65    4 o   14.051   2.6163  208.173   68.736  208.173   68.736   0.0000   0.0000   14.051   2.6163  ?   ?       ?      ? 
1 1 1    3   65    5 o   10.016   3.2408  105.778   71.885  105.778   71.885   0.0000   0.0000   10.016   3.2408  ?   ?       ?      ? 
1 1 1    3   65    6 o   8.6971   2.2239   50.124   61.489  132.552   73.073 -149.8091  113.805   11.024   3.2159   6.3698   3.0727 4.654552 4.447839 
1 1 1    3   65    7 o   6.4817   2.0582 -47.1810   59.715   25.147   71.174 -219.1259  109.741   7.3653   3.0488   5.5982   2.7659 1.767061 4.116446 
1 1 1    3   65    8 f   6.8725   2.2081 -27.1886   60.940  -6.6608   72.495 -76.6347  112.513   6.6395   2.9172   7.1056   3.3156 -0.4661317 4.416237 
1 1 1    3   65    9 o   30.132   1.2389  871.423   63.199  832.307   72.613  993.620  128.343   29.022   1.2889   31.242   2.1162 -2.220181 2.477859 
1 1 1    3   65   10 o   8.5553   2.4446   33.283   55.647   6.7911   63.970  115.683  112.820   6.5292   2.8050   10.581   4.0044 -4.052218 4.889138 
1 1 1    3   66    0 o   4.8305   2.3417 -105.2467   68.158 -105.2467   68.158   0.0000   0.0000   4.8305   2.3417  ?   ?       ?      ? 
1 1 1    3   66    1 o   8.0517   3.1615   47.598   72.192   47.598   72.192   0.0000   0.0000   8.0517   3.1615  ?   ?       ?      ? 
1 1 1    3   66    2 o   5.3924   2.5481 -71.0420   70.176 -71.0420   70.176   0.0000   0.0000   5.3924   2.5481  ?   ?       ?      ? 
1 1 1    3   66    3 f   14.054   2.8223  211.723   74.322  211.723   74.322   0.0000   0.0000   14.054   2.8223  ?   ?       ?      ? 
1 1 1    3   66    4 o   12.712   2.9099  175.161   70.255  175.161   70.255   0.0000   0.0000   12.712   2.9099  ?   ?       ?      ? 
1 1 1    3   66    5 o   23.326   1.6430  542.082   74.395  542.082   74.395   0.0000   0.0000   23.326   1.6430  ?   ?       ?      ? 
1 1 1    3   66    6 f   8.7950   2.1024   66.468   52.493  137.753   66.482 -51.5479   85.541   11.206   2.9977   6.3843   2.9485 4.821365 4.204786 
1 1 1    3   66    7 o   16.134   2.1951  295.408   59.518  311.306   70.154  254.579  112.427   17.508   2.0642   14.760   3.8747 2.747836 4.390275 
1 1 1    3   66    8 o   9.1958   2.4992   67.389   54.679   53.920   62.308  112.506  114.037   7.8587   2.9755   10.533   4.0163 -2.674218 4.998437 
1 1 1    3   66    9 f   9.3186   2.5195   38.703   59.622  -8.1023   68.931  177.743  118.804   6.3935   2.8253   12.244   4.1723 -5.850180 5.038949 
1 1 1    3   67    0 o   8.0741   3.0316   56.794   64.375   56.794   64.375   0.0000   0.0000   8.0741   3.0316  ?   ?       ?      ? 
1 1 1    3   67    1 o   9.3500   3.2228   89.524   70.934   89.524   70.934   0.0000   0.0000   9.3500   3.2228  ?   ?       ?      ? 
1 1 1    3   67    2 f   23.238   1.6600  538.846   74.884  538.846   74.884   0.0000   0.0000   23.238   1.6600  ?   ?       ?      ? 
1 1 1    3   67    3 o   12.039   3.0326  159.646   70.834  159.646   70.834   0.0000   0.0000   12.039   3.0326  ?   ?       ?      ? 
1 1 1    3   67    4 o   8.7980   3.1693   75.676   69.155   75.676   69.155   0.0000   0.0000   8.7980   3.1693  ?   ?       ?      ? 
1 1 1    3   67    5 o   6.0934   2.7387 -20.7199   67.655 -20.7199   67.655   0.0000   0.0000   6.0934   2.7387  ?   ?       ?      ? 
1 1 1    3   67    6 f   8.7692   3.2248   74.520   72.127   74.520   72.127   0.0000   0.0000   8.7692   3.2248  ?   ?       ?      ? 
1 1 1    3   67    7 f   6.8595   2.2179 -36.1553   61.184 -48.8921   74.110  -8.8905  108.430   5.8632   2.7207   7.8558   3.5034 -1.992587 4.435785 
1 1 1    3   68    0 o   14.696   2.6456  231.772   72.697  231.772   72.697   0.0000   0.0000   14.696   2.6456  ?   ?       ?      ? 
1 1 1    3   68    1 o   18.338   2.0608  342.504   73.357  342.504   73.357   0.0000   0.0000   18.338   2.0608  ?   ?       ?      ? 
1 1 1    3   68    2 o   11.400   3.1623  145.808   72.433  145.808   72.433   0.0000   0.0000   11.400   3.1623  ?   ?       ?      ? 
1 1 1    3   68    3 o   5.9633   2.7177 -30.9212   69.460 -30.9212   69.460   0.0000   0.0000   5.9633   2.7177  ?   ?       ?      ? 
1 1 1    3   68    4 o   16.355   2.2808  276.096   72.411  276.096   72.411   0.0000   0.0000   16.355   2.2808  ?   ?       ?      ? 
1 1 1    4    0    0 o  258.200   2.4091 64734.52  1206.65 65841.32  1731.12 63688.60  1682.83  260.345   3.4267  256.054   3.3870 -0.000000 0.000000 
1 1 1    4    0    1 o  262.382   2.4246 66849.00  1234.17 67931.29  1768.75 65822.06  1722.92  264.451   3.4468  260.313   3.4109 -0.000000 0.000000 
1 1 1    4    0    2 o  167.452   1.4191 27197.77  453.890 27050.24  590.970 27409.97  708.759  166.906   1.8245  167.997   2.1742 -0.000000 0.000000 
1 1 1    4    0    3 o  139.474   1.1837 18890.74  320.366 18960.46  453.048 18821.01  453.084  139.732   1.6708  139.216   1.6771 -0.000000 0.000000 
1 1 1    4    0    4 o  250.373   1.6228 60860.60  781.027 60940.74  1189.97 60799.96  1035.21  250.510   2.4476  250.236   2.1315 -0.000000 0.000000 
1 1 1    4    0    5 o  195.299   1.4020 37039.09  531.391 37034.62  750.351 37043.60  752.653  195.287   1.9798  195.311   1.9857 -0.000000 0.000000 
1 1 1    4    0    6 o  306.302   1.8066 91130.59  1073.98 91187.30  1518.86 91073.88  1518.83  306.398   2.5541  306.207   2.5556 -0.000000 0.000000 
1 1 1    4    0    7 o   19.581   3.6885  441.072  121.215  387.090  164.815  504.673  178.898   17.921   5.4294   21.241   4.9941 -0.000000 0.000000 
1 1 1    4    0    8 o   88.410   0.9590  7581.50  164.378  7928.61  237.858  7264.19  227.424   90.345   1.3570   86.474   1.3556 -0.000000 0.000000 
1 1 1    4    0    9 o  193.756   1.6164 36537.30  592.755 36115.02  946.792 36809.51  760.166  192.818   2.5305  194.693   2.0119 -0.000000 0.000000 
1 1 1    4    0   10 f  107.133   1.1441 11173.08  236.767 11435.94  322.335 10865.08  348.921  108.510   1.5310  105.757   1.7006 -0.000000 0.000000 
1 1 1    4    0   11 o  356.632   1.8346 123535.30  1265.65 122951.10  1865.52 124033.50  1722.80  355.845   2.7010  357.419   2.4834 -0.000000 0.000000 
1 1 1    4    0   12 o   71.362   0.8789  4946.41  121.644  5068.86  173.428  4827.82  170.666   72.233   1.2377   70.492   1.2481 -0.000000 0.000000 
1 1 1    4    0   13 o   91.600   2.0337  8177.21  360.497  8455.32  506.029  7890.60  513.698   93.195   2.8029   90.005   2.9474 -0.000000 0.000000 
1 1 1    4    0   14 o  202.383   2.4558 39812.32  964.129 39753.56  1361.63 39871.39  1365.34  202.234   3.4708  202.533   3.4751 -0.000000 0.000000 
1 1 1    4    0   15 o  245.390   1.6255 58478.50  774.146 58379.11  1091.70 58579.02  1097.94  245.180   2.2942  245.599   2.3034 -0.000000 0.000000 
1 1 1    4    0   16 o   71.754   0.9802  5003.25  136.415  5053.88  193.761  4953.48  192.089   72.114   1.3853   71.394   1.3872 -0.000000 0.000000 
1 1 1    4    0   17 o  194.639   1.5274 36802.18  576.937 37195.98  818.612 36413.54  813.239  195.675   2.1557  193.604   2.1645 -0.000000 0.000000 
1 1 1    4    0   18 o  151.741   1.3932 22369.41  410.200 22634.09  581.486 22107.21  578.745  152.635   1.9633  150.846   1.9772 -0.000000 0.000000 
1 1 1    4    0   19 f   86.991   1.0412  7351.46  175.679  7525.56  251.126  7184.59  245.854   88.001   1.4710   85.982   1.4740 -0.000000 0.000000 
1 1 1    4    0   20 o  118.864   1.2661 13730.00  291.951 13894.49  416.087 13570.49  409.747  119.565   1.7936  118.163   1.7873 -0.000000 0.000000 
1 1 1    4    0   21 o  114.850   3.6636 13020.48  809.181 14080.33  1127.79 11896.00  1161.67  119.800   4.8679  109.899   5.4764 -0.000000 0.000000 
1 1 1    4    0   22 o   65.091   1.0214  4119.15  128.774  4157.76  186.854  4084.23  177.717   65.379   1.4740   64.803   1.4143 -0.000000 0.000000 
1 1 1    4    0   23 o   10.631   2.5610  111.886   73.243  297.408  105.309 -61.9423  101.936   16.287   3.8346   4.9763   3.3956 -0.000000 0.000000 
1 1 1    4    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   25 o   72.090   1.1285  5048.40  157.582  4751.87  217.944  5373.25  228.113   69.871   1.6088   74.309   1.5830 -0.000000 0.000000 
1 1 1    4    0   26 o   34.752   1.4598  1174.86   96.743  1419.57  144.536  976.247  130.213   38.050   1.9689   31.454   2.1559 -0.000000 0.000000 
1 1 1    4    0   27 o   28.740   1.7043  822.841   92.893  937.482  133.218  714.344  129.598   30.775   2.2579   26.706   2.5536 -0.000000 0.000000 
1 1 1    4    0   28 o   14.386   3.2913  261.833   88.650  377.544  129.436  159.600  121.664   18.338   4.1717   10.433   5.0920 -0.000000 0.000000 
1 1 1    4    0   29 o   40.446   1.2611  1603.75   98.548  1647.08  141.509  1562.95  137.320   40.979   1.7867   39.914   1.7804 -0.000000 0.000000 
1 1 1    4    0   30 o   32.642   1.5336  1057.61   96.141  1073.99  138.555  1042.40  133.513   32.881   2.1932   32.404   2.1441 -0.000000 0.000000 
1 1 1    4    0   31 o   25.055   2.0691  651.870   95.718  739.200  135.286  564.334  135.446   26.941   2.6454   23.169   3.1822 -0.000000 0.000000 
1 1 1    4    0   32 o   9.9266   3.6253  155.068   90.220  140.751  130.190  168.298  125.141   9.4972   5.1085   10.356   5.1453 -0.000000 0.000000 
1 1 1    4    0   33 o   22.268   2.4943  543.340   97.986  514.440  146.905  566.502  131.515   21.429   3.9190   23.106   3.0865 -0.000000 0.000000 
1 1 1    4    0   34 o   21.521   2.7918  524.018  104.515  586.831  154.320  470.792  142.054   22.913   3.7785   20.130   4.1108 -0.000000 0.000000 
1 1 1    4    1    0 o   67.245   0.5503  4388.69   71.831  4343.48  101.053  4434.87  102.123   66.895   0.7782   67.595   0.7783 -0.7000656 1.100608 
1 1 1    4    1    1 o  263.078   1.7144 67191.67  875.474 66870.65  1233.71 67517.31  1242.55  262.445   2.4216  263.711   2.4273 -1.265747 3.428707 
1 1 1    4    1    2 o  124.418   0.8423 15022.08  203.407 15344.70  290.099 14710.09  285.282  125.732   1.1886  123.105   1.1938 2.627419 1.684620 
1 1 1    4    1    3 o   56.776   0.4608  3128.28   50.785  3071.06   71.350  3187.04   72.302   56.250   0.6534   57.302   0.6500 -1.052357 0.9216746 
1 1 1    4    1    4 o  188.309   0.9692 34422.28  354.266 34274.94  500.809 34569.86  501.207  187.906   1.3730  188.713   1.3682 -0.8067780 1.938318 
1 1 1    4    1    5 o   18.082   0.4782  304.347   15.771  355.059   28.425  281.791   18.957   19.126   0.7656   17.039   0.5732 2.087000 0.9563856 
1 1 1    4    1    6 o   28.399   0.3733  782.739   20.548  784.599   29.938  781.082   28.253   28.431   0.5424   28.368   0.5131 0.6371498E-01 0.7466487 
1 1 1    4    1    7 o  242.233   1.1139 56943.35  522.206 56596.00  710.505 57351.44  770.115  241.433   1.5160  243.032   1.6324 -1.598999 2.227787 
1 1 1    4    1    8 f  263.446   1.1500 67356.65  586.514 66971.77  799.517 67805.10  863.032  262.635   1.5682  264.257   1.6824 -1.621887 2.299982 
1 1 1    4    1    9 o  255.854   1.1130 63550.80  552.797 63255.67  781.239 63846.73  782.308  255.259   1.5767  256.449   1.5715 -1.190002 2.226082 
1 1 1    4    1   10 o  361.431   1.2944 126799.00  908.019 128095.10  1296.44 125551.00  1272.17  363.243   1.8386  359.618   1.8224 3.624542 2.588736 
1 1 1    4    1   11 o  196.304   1.0309 37404.12  392.828 37102.30  552.323 37713.07  558.819  195.503   1.4554  197.105   1.4605 -1.602509 2.061850 
1 1 1    4    1   12 o  472.507   1.4818 216769.00  1359.12 216875.50  1923.37 216662.80  1920.81  472.623   2.0964  472.392   2.0947 0.2317200 2.963575 
1 1 1    4    1   13 o  332.158   1.3264 107254.50  850.938 108581.80  1151.32 105656.50  1263.28  334.431   1.7735  329.885   1.9727 4.545563 2.652718 
1 1 1    4    1   14 o  176.426   1.0105 30215.97  346.074 30324.38  490.824 30108.79  488.032  176.740   1.4306  176.111   1.4276 0.6293030 2.021046 
1 1 1    4    1   15 o  163.638   1.1610 25995.62  368.764 26349.41  524.452 25649.66  518.620  164.740   1.6400  162.537   1.6437 2.202286 2.321947 
1 1 1    4    1   16 o   93.935   0.7586  8565.87  138.324  8565.25  195.417  8566.49  195.823   93.932   1.0717   93.939   1.0739 -0.6713867E-02 1.517169 
1 1 1    4    1   17 o  142.106   1.0736 19610.93  296.143 19699.06  418.560 19522.60  419.059  142.426   1.5139  141.786   1.5226 0.6397858 2.147126 
1 1 1    4    1   18 f   35.219   0.8730  1206.55   56.214  1210.89   68.839  1197.88   97.391   35.317   1.0041   35.122   1.4285 0.1946144 1.746089 
1 1 1    4    1   19 o   34.509   0.7472  1156.31   50.055  1152.79   70.488  1159.89   71.093   34.457   1.0538   34.562   1.0596 -0.1057854 1.494465 
1 1 1    4    1   20 o   72.032   0.7115  5037.93   99.467  5052.60  142.120  5023.85  139.258   72.134   1.0150   71.929   0.9974 0.2050095 1.422971 
1 1 1    4    1   21 o  189.100   1.1639 34725.08  426.407 35200.64  624.652 34310.11  583.510  190.304   1.6909  187.896   1.5998 2.408630 2.327786 
1 1 1    4    1   22 o   54.032   0.7128  2834.41   74.719  2706.26  104.673  2967.54  106.692   52.787   1.0215   55.278   0.9943 -2.490425 1.425520 
1 1 1    4    1   23 o   43.993   0.9358  1843.84   75.242  1989.03  132.977  1775.46   91.256   45.233   1.5144   42.752   1.0996 2.481369 1.871542 
1 1 1    4    1   24 o  106.033   0.9813 10929.63  201.978 10873.11  284.888 10986.75  286.399  105.758   1.3877  106.309   1.3878 -0.5512085 1.962602 
1 1 1    4    1   25 o   76.545   0.8163  5694.29  121.289  5664.37  171.661  5724.12  171.397   76.344   1.1583   76.746   1.1505 -0.4022522 1.632585 
1 1 1    4    1   26 o   92.523   0.9091  8319.88  163.217  8496.37  234.791  8154.83  227.049   93.471   1.2940   91.576   1.2772 1.895660 1.818194 
1 1 1    4    1   27 o   92.866   0.9169  8392.21  165.291  8482.00  233.857  8302.58  233.656   93.364   1.2904   92.369   1.3031 0.9950943 1.833890 
1 1 1    4    1   28 o   60.399   0.7952  3550.24   93.220  3642.29  132.622  3460.34  131.058   61.174   1.1168   59.624   1.1323 1.549904 1.590424 
1 1 1    4    1   29 o   35.483   0.9786  1229.04   67.371  1224.69   93.826  1233.68   96.798   35.420   1.3646   35.545   1.4029 -0.1240654 1.957103 
1 1 1    4    1   30 o   49.661   0.8368  2408.46   80.645  2473.84  114.256  2343.54  113.844   50.336   1.1693   48.986   1.1972 1.350552 1.673508 
1 1 1    4    1   31 o   19.081   1.7601  367.312   65.104  349.213   92.666  384.954   91.488   18.594   2.5673   19.568   2.4085 -0.9742508 3.520254 
1 1 1    4    1   32 o   11.454   2.5533  138.659   65.161   95.936   91.741  182.157   92.569   10.038   3.6451   12.871   3.5765 -2.833583 5.106689 
1 1 1    4    1   33 o   26.189   1.3811  694.320   69.647  777.706   97.359  606.923   99.674   27.880   1.7990   24.498   2.0959 3.381445 2.762119 
1 1 1    4    1   34 o   11.242   2.6120  133.966   72.201   48.880  101.168  222.289  103.074   8.7500   3.6295   13.734   3.7574 -4.984137 5.224096 
1 1 1    4    2    0 o  267.834   1.7114 69643.88  889.780 69332.67  1253.29 69960.16  1263.45  267.231   2.4160  268.437   2.4247 -1.206238 3.422875 
1 1 1    4    2    1 o  302.669   1.5978 88997.71  919.751 89246.09  1188.17 88626.37  1452.83  303.204   2.0187  302.134   2.4771 1.069458 3.195537 
1 1 1    4    2    2 o  145.206   0.9167 20466.51  258.394 20532.19  364.995 20400.53  365.854  145.439   1.2928  144.972   1.3000 0.4671326 1.833445 
1 1 1    4    2    3 o  367.220   1.4036 130835.00  989.263 131465.00  1519.07 130371.00  1303.58  367.980   2.1266  366.460   1.8325 1.520630 2.807235 
1 1 1    4    2    4 o  147.273   0.9406 21056.16  266.511 21038.63  404.776 21069.58  354.095  147.217   1.4164  147.328   1.2381 -0.1108704 1.881283 
1 1 1    4    2    5 o  157.877   0.9367 24159.29  286.013 24619.82  424.901 23777.75  386.751  159.250   1.3745  156.505   1.2730 2.744720 1.873460 
1 1 1    4    2    6 o  114.621   0.7685 12754.24  170.996 12785.36  241.906 12723.17  241.744  114.761   1.0859  114.482   1.0878 0.2795181 1.537042 
1 1 1    4    2    7 o  123.982   0.8706 14903.44  206.449 14809.95  269.404 15036.46  321.339  123.514   1.1236  124.450   1.3302 -0.9361038 1.741220 
1 1 1    4    2    8 o  157.557   0.9769 24125.49  296.532 24308.65  396.580 23893.25  446.576  158.238   1.2911  156.875   1.4665 1.363251 1.953833 
1 1 1    4    2    9 o   69.684   0.5661  4713.10   76.579  4745.12  108.783  4681.63  107.821   69.919   0.8015   69.449   0.7998 0.4693375 1.132274 
1 1 1    4    2   10 o  165.232   0.9500 26498.98  304.677 26831.61  433.435 26174.08  428.366  166.256   1.3430  164.207   1.3439 2.049774 1.899917 
1 1 1    4    2   11 o  235.620   1.1455 53884.61  522.157 53995.95  771.068 53790.30  709.635  235.843   1.6842  235.397   1.5530 0.4463196 2.290948 
1 1 1    4    2   12 o  278.123   1.1680 75088.54  630.548 74648.16  886.895 75538.67  896.643  277.298   1.6476  278.947   1.6559 -1.648804 2.335953 
1 1 1    4    2   13 o  260.127   1.1523 65690.05  581.871 65715.54  823.119 65664.61  822.661  260.178   1.6298  260.077   1.6295 0.1008301 2.304654 
1 1 1    4    2   14 o   54.655   0.5946  2900.48   63.062  2947.91   88.525  2851.60   89.855   55.109   0.8275   54.202   0.8540 0.9077950 1.189167 
1 1 1    4    2   15 o   67.600   0.7641  4463.18   96.032  4532.85  120.180  4340.12  159.722   68.335   0.9060   66.864   1.2306 1.471344 1.528109 
1 1 1    4    2   16 o  166.581   1.1636 26942.15  376.258 27173.46  535.559 26716.72  528.725  167.287   1.6492  165.875   1.6420 1.411560 2.327278 
1 1 1    4    2   17 o  242.703   1.1756 57208.50  553.876 57587.13  784.426 56832.04  782.178  243.504   1.6595  241.902   1.6657 1.602280 2.351297 
1 1 1    4    2   18 o  187.528   1.1527 34151.41  419.590 33747.79  590.305 34563.57  596.522  186.408   1.6314  188.648   1.6290 -2.239731 2.305388 
1 1 1    4    2   19 f  156.008   1.0746 23639.52  325.407 23854.39  463.779 23431.15  456.692  156.706   1.5246  155.310   1.5148 1.395569 2.149215 
1 1 1    4    2   20 o   32.745   0.7786  1040.61   49.469  998.088   69.102  1085.30   70.851   32.059   1.1104   33.431   1.0918 -1.371681 1.557224 
1 1 1    4    2   21 o  187.031   1.1987 34001.44  435.190 33773.07  616.408 34228.40  614.500  186.403   1.7035  187.658   1.6869 -1.254974 2.397426 
1 1 1    4    2   22 o   58.025   0.7048  3269.50   79.379  3294.53  113.108  3245.21  111.428   58.243   1.0004   57.806   0.9930 0.4373703 1.409582 
1 1 1    4    2   23 o   63.801   0.7382  3954.11   91.421  3998.17  129.143  3909.86  129.435   64.158   1.0369   63.445   1.0510 0.7131615 1.476411 
1 1 1    4    2   24 o   32.088   0.9777  1000.80   60.884  973.789   85.605  1028.45   86.611   31.649   1.3934   32.526   1.3717 -0.8770428 1.955304 
1 1 1    4    2   25 o   67.191   0.7812  4385.20  101.861  4464.98  146.199  4309.93  142.000   67.784   1.1111   66.598   1.0984 1.186440 1.562371 
1 1 1    4    2   26 o   42.701   0.8801  1773.15   72.941  1758.60  103.867  1787.31  102.455   42.527   1.2582   42.875   1.2310 -0.3474617 1.760251 
1 1 1    4    2   27 o   29.710   1.1799  860.158   68.037  883.100   97.052  837.988   95.406   30.100   1.6610   29.320   1.6763 0.7800236 2.359857 
1 1 1    4    2   28 o   37.787   0.9657  1391.91   70.822  1425.41  100.052  1358.28  100.262   38.245   1.3477   37.329   1.3836 0.9155083 1.931497 
1 1 1    4    2   29 o   41.986   0.8837  1719.60   71.996  1733.63  100.634  1704.88  103.044   42.165   1.2295   41.807   1.2697 0.3575134 1.767441 
1 1 1    4    2   30 o   52.350   0.8305  2675.80   84.396  2662.47  118.643  2689.46  120.078   52.219   1.1704   52.481   1.1787 -0.2618256 1.661093 
1 1 1    4    2   31 o   20.712   1.6111  429.412   64.739  420.447   89.775  439.124   93.445   20.493   2.2568   20.931   2.2999 -0.4379120 3.222153 
1 1 1    4    2   32 o   10.604   2.5476  110.570   64.666   65.917   89.582  159.155   93.443   9.1317   3.5395   12.077   3.6651 -2.945556 5.095232 
1 1 1    4    2   33 o   20.784   1.7202  443.034   69.378  442.684   99.453  443.366   96.829   20.760   2.4679   20.808   2.3972 -0.4837608E-01 3.440483 
1 1 1    4    2   34 o   22.541   1.7230  535.238   73.929  427.302  105.482  639.447  103.645   20.103   2.7030   24.979   2.1375 -4.875998 3.446048 
1 1 1    4    3    0 o  477.370   1.9655 221250.41  1821.24 222330.70  2592.41 220197.59  2559.16  478.520   2.7909  476.221   2.7684 2.299652 3.930996 
1 1 1    4    3    1 o  313.736   1.4399 95553.07  876.935 95973.34  1242.45 95135.88  1237.91  314.423   2.0356  313.048   2.0371 1.374908 2.879857 
1 1 1    4    3    2 o  165.845   1.0657 26665.58  339.671 26465.74  448.954 26933.12  519.458  165.121   1.4007  166.570   1.6065 -1.448837 2.131388 
1 1 1    4    3    3 o  388.833   1.5230 146788.91  1149.54 147102.91  1627.83 146476.59  1623.56  389.248   2.1544  388.418   2.1533 0.8294678 3.045973 
1 1 1    4    3    4 o  370.904   1.6021 133635.59  1088.65 133401.09  1880.84 133753.80  1335.00  370.635   2.6142  371.174   1.8528 -0.5388794 3.204238 
1 1 1    4    3    5 o  250.656   1.1463 60996.96  557.742 60608.73  785.382 61391.95  792.196  249.851   1.6193  251.460   1.6229 -1.609009 2.292618 
1 1 1    4    3    6 o  118.159   0.8453 13562.63  191.140 13604.09  250.361 13504.71  295.948  118.378   1.0895  117.940   1.2927 0.4381332 1.690568 
1 1 1    4    3    7 o  129.961   0.8170 16392.46  206.075 16680.31  294.165 16115.06  288.777  131.081   1.1561  128.841   1.1546 2.240112 1.633914 
1 1 1    4    3    8 o  110.613   0.7462 11876.29  160.218 11994.54  227.724 11760.38  225.458  111.158   1.0554  110.068   1.0552 1.090385 1.492407 
1 1 1    4    3    9 o  121.133   0.8920 14264.77  206.724 14369.85  270.888 14118.25  319.888  121.670   1.1469  120.597   1.3665 1.072861 1.784009 
1 1 1    4    3   10 o  233.475   1.0809 52915.45  489.886 52812.83  692.008 53018.54  693.600  233.248   1.5284  233.702   1.5289 -0.4537811 2.161826 
1 1 1    4    3   11 o  190.130   1.0603 35093.55  389.829 35065.40  577.079 35117.18  528.696  190.059   1.5642  190.201   1.4319 -0.1427155 2.120634 
1 1 1    4    3   12 o  258.427   1.1900 64829.46  595.347 64898.48  874.815 64769.93  812.526  258.553   1.7430  258.301   1.6205 0.2521362 2.379938 
1 1 1    4    3   13 o  137.850   0.9757 18426.44  257.758 18320.64  338.135 18573.21  398.248  137.380   1.2679  138.321   1.4832 -0.9404144 1.951303 
1 1 1    4    3   14 o  178.357   1.0238 30881.81  354.475 30845.84  501.753 30917.65  500.855  178.253   1.4501  178.461   1.4458 -0.2074890 2.047678 
1 1 1    4    3   15 o  210.519   1.3334 43032.11  544.897 43304.02  773.618 42764.39  767.618  211.179   1.8872  209.859   1.8843 1.319794 2.666834 
1 1 1    4    3   16 o  167.848   1.0076 27349.47  328.281 27660.71  467.795 27047.47  460.803  168.789   1.4277  166.907   1.4222 1.881332 2.015243 
1 1 1    4    3   17 o   73.551   0.7973  5261.96  110.226  5291.83  139.647  5212.59  179.524   73.831   0.9744   73.270   1.2622 0.5603561 1.594546 
1 1 1    4    3   18 o   99.954   0.8073  9700.72  156.599  9666.28  223.706  9733.82  219.289   99.779   1.1550  100.128   1.1282 -0.3487167 1.614577 
1 1 1    4    3   19 o  141.393   1.0715 19416.36  294.061 19164.48  412.142 19677.55  419.689  140.459   1.5116  142.326   1.5191 -1.867172 2.143005 
1 1 1    4    3   20 o   89.172   0.7799  7717.65  134.955  7540.26  188.123  7905.74  193.710   88.117   1.0998   90.227   1.1060 -2.109993 1.559739 
1 1 1    4    3   21 o  130.527   1.0944 16556.51  277.293 16674.11  391.723 16438.40  392.580  130.992   1.5405  130.061   1.5549 0.9306030 2.188851 
1 1 1    4    3   22 o   47.371   0.7296  2179.61   67.065  2105.65   94.529  2254.57   95.163   46.562   1.0459   48.181   1.0175 -1.619225 1.459137 
1 1 1    4    3   23 o   48.328   0.7470  2265.61   70.015  2198.69   96.571  2339.76  101.656   47.577   1.0456   49.079   1.0670 -1.501846 1.493950 
1 1 1    4    3   24 o   65.405   0.7593  4155.54   96.398  4123.57  135.302  4188.50  137.377   65.149   1.0699   65.660   1.0778 -0.5104141 1.518661 
1 1 1    4    3   25 o   55.211   0.7686  2961.14   82.347  2997.14  118.148  2927.14  114.837   55.536   1.0959   54.885   1.0779 0.6513519 1.537153 
1 1 1    4    3   26 o   94.840   0.9234  8746.62  169.988  8839.26  241.912  8656.25  238.916   95.336   1.3072   94.344   1.3046 0.9917068 1.846783 
1 1 1    4    3   27 o   87.206   0.8845  7399.18  149.727  7467.01  212.030  7331.72  211.462   87.605   1.2468   86.807   1.2549 0.7986374 1.768997 
1 1 1    4    3   28 o   21.839   1.5611  477.351   63.486  642.794   90.987  320.388   88.625   25.639   1.8282   18.039   2.5309 7.599302 3.122102 
1 1 1    4    3   29 o   32.308   1.0639  1021.42   66.641  1054.59   92.980  986.381   95.562   32.855   1.4579   31.761   1.5500 1.093876 2.127885 
1 1 1    4    3   30 o   27.939   1.2585  769.620   67.648  904.408   97.180  642.906   94.225   30.344   1.6498   25.534   1.9010 4.809822 2.517085 
1 1 1    4    3   31 o   41.080   0.9530  1656.80   75.976  1687.90  106.998  1625.18  107.901   41.475   1.3290   40.685   1.3662 0.7904968 1.905990 
1 1 1    4    3   32 o   12.712   2.3467  175.928   64.194  271.530   89.742   75.752   91.864   15.969   3.0053   9.4560   3.6050 6.512934 4.693406 
1 1 1    4    3   33 f   51.722   0.8800  2638.19   88.171  2439.91  124.497  2837.71  124.889   49.742   1.2893   53.702   1.1980 -3.959675 1.760024 
1 1 1    4    3   34 o   10.480   2.6652  118.442   69.581  136.860   97.459   99.294   99.373   11.013   3.7787   9.9469   3.7597 1.066266 5.330453 
1 1 1    4    4    0 o  140.482   1.0274 19121.37  269.370 19029.16  336.953 19284.63  448.381  140.016   1.2397  140.948   1.6388 -0.9328613 2.054884 
1 1 1    4    4    1 o   89.069   0.6688  7691.10  115.563  7445.71  159.934  7959.17  167.166   87.584   0.9407   90.554   0.9510 -2.969528 1.337645 
1 1 1    4    4    2 o  179.026   1.0927 31151.24  377.232 30760.72  565.116 31465.11  506.634  178.011   1.6354  180.041   1.4496 -2.029556 2.185404 
1 1 1    4    4    3 o  247.766   1.5125 59941.84  699.559 58342.99  1153.22 60872.74  879.953  245.126   2.4236  250.406   1.8103 -5.280426 3.025053 
1 1 1    4    4    4 o  320.719   1.3743 99934.29  847.787 99356.18  1287.17 100377.20  1126.70  319.892   2.0728  321.545   1.8051 -1.653168 2.748645 
1 1 1    4    4    5 o  317.241   1.4767 97691.63  909.103 96025.58  1266.14 99464.59  1306.13  314.452   2.0743  320.031   2.1025 -5.578796 2.953452 
1 1 1    4    4    6 o  105.184   0.7300 10740.33  149.056 10700.82  211.027 10779.66  210.567  104.991   1.0354  105.377   1.0294 -0.3861389 1.460061 
1 1 1    4    4    7 o  207.701   1.0076 41879.27  406.224 42304.62  578.232 41464.77  570.813  208.743   1.4270  206.660   1.4229 2.082245 2.015185 
1 1 1    4    4    8 o  116.287   0.7614 13127.12  171.877 13095.41  243.212 13158.75  242.929  116.147   1.0787  116.428   1.0749 -0.2806473 1.522832 
1 1 1    4    4    9 o  181.527   0.9766 31983.85  344.093 32416.32  489.948 31562.94  483.361  182.738   1.3812  180.316   1.3809 2.421356 1.953121 
1 1 1    4    4   10 o   62.834   0.6287  3847.41   74.803  3902.96   96.121  3762.09  119.115   63.412   0.7809   62.256   0.9856 1.155670 1.257481 
1 1 1    4    4   11 o  111.156   0.8862 12008.22  187.187 12066.63  241.529 11920.36  296.203  111.496   1.1160  110.815   1.3770 0.6801682 1.772400 
1 1 1    4    4   12 o   97.304   0.9195  9173.12  162.336  9240.64  286.487  9141.18  197.019   97.565   1.5127   97.043   1.0459 0.5219955 1.839026 
1 1 1    4    4   13 o  252.066   1.1892 61679.77  580.189 61720.50  854.003 61644.86  790.674  252.141   1.7448  251.991   1.6164 0.1501312 2.378473 
1 1 1    4    4   14 o  125.095   0.9770 15216.05  233.250 15054.46  363.895 15328.73  303.887  124.529   1.5054  125.662   1.2458 -1.133476 1.953997 
1 1 1    4    4   15 o  172.413   1.0844 28860.82  362.909 28892.51  511.086 28828.59  515.402  172.509   1.5262  172.318   1.5408 0.1914215 2.168747 
1 1 1    4    4   16 o  236.069   1.3035 54314.84  586.091 53084.34  917.071 55164.41  762.015  233.787   2.0208  238.350   1.6470 -4.563080 2.606912 
1 1 1    4    4   17 o  117.545   0.8552 13415.54  195.126 13298.13  276.063 13532.76  275.839  117.031   1.2152  118.060   1.2036 -1.028336 1.710368 
1 1 1    4    4   18 o  127.602   0.9439 15810.41  233.800 15708.83  330.589 15912.05  330.696  127.191   1.3390  128.012   1.3308 -0.8204269 1.887816 
1 1 1    4    4   19 o  159.694   1.1593 24774.78  359.366 24995.89  511.246 24558.83  505.248  160.398   1.6420  158.990   1.6371 1.408020 2.318643 
1 1 1    4    4   20 o  111.991   0.9249 12183.01  201.064 12112.13  285.236 12253.02  283.466  111.667   1.3159  112.316   1.3002 -0.6485825 1.849844 
1 1 1    4    4   21 o   69.187   0.6981  4646.88   93.743  4734.10  134.033  4563.37  131.158   69.822   0.9889   68.552   0.9856 1.270493 1.396203 
1 1 1    4    4   22 o   66.751   0.7361  4327.17   95.374  4272.26  134.235  4383.16  135.534   66.323   1.0426   67.179   1.0393 -0.8554153 1.472176 
1 1 1    4    4   23 o   18.732   1.4803  342.482   53.664  370.092   75.492  314.279   76.298   19.500   1.9944   17.964   2.1880 1.535530 2.960505 
1 1 1    4    4   24 o   57.783   0.7542  3244.09   84.587  3280.32  119.308  3207.48  119.941   58.108   1.0577   57.458   1.0754 0.6497078 1.508369 
1 1 1    4    4   25 o   33.933   0.9652  1119.67   63.574  1106.52   89.744  1132.92   90.071   33.733   1.3705   34.133   1.3594 -0.4005775 1.930367 
1 1 1    4    4   26 o   38.489   0.9420  1440.55   70.338  1432.70   97.708  1448.98  101.337   38.381   1.3114   38.596   1.3526 -0.2149086 1.883951 
1 1 1    4    4   27 o   48.317   0.8431  2271.01   79.076  2297.48  111.884  2244.58  111.778   48.599   1.1860   48.035   1.1988 0.5638161 1.686285 
1 1 1    4    4   28 o   80.782   0.8487  6354.49  133.083  6426.90  188.359  6282.31  188.058   81.242   1.1944   80.321   1.2061 0.9216537 1.697438 
1 1 1    4    4   29 o   25.442   1.3138  635.054   64.879  624.221   91.694  645.915   91.812   25.222   1.8728   25.661   1.8431 -0.4389229 2.627649 
1 1 1    4    4   30 o   28.640   1.2048  806.913   66.864  866.706   95.035  748.302   94.092   29.703   1.6482   27.577   1.7577 2.126076 2.409611 
1 1 1    4    4   31 o   22.417   1.5184  508.184   65.002  597.258   90.674  414.014   93.231   24.531   1.9041   20.303   2.3656 4.228287 3.036706 
1 1 1    4    4   32 f   39.306   1.0122  1521.76   77.018  1373.91  107.117  1679.99  110.817   37.311   1.4790   41.301   1.3822 -3.990570 2.024328 
1 1 1    4    4   33 o   31.536   1.2099  991.783   74.026  1038.10  106.278  948.140  103.167   32.257   1.6973   30.814   1.7247 1.442953 2.419799 
1 1 1    4    4   34 o   25.071   1.9541  685.702   85.003  715.615  101.774  616.702  154.571   26.526   1.9765   23.617   3.3717 2.909590 3.908286 
1 1 1    4    5    0 o  188.989   1.1935 34664.04  437.788 34181.46  613.491 35164.77  624.918  187.650   1.6842  190.329   1.6914 -2.679855 2.386938 
1 1 1    4    5    1 o  173.876   1.0855 29351.20  363.707 29313.77  548.206 29380.63  486.095  173.775   1.6251  173.976   1.4394 -0.2007141 2.170900 
1 1 1    4    5    2 o  623.885   2.0214 377644.59  2392.23 379535.00  3816.55 376421.31  3070.20  625.137   3.1451  622.634   2.5402 2.503357 4.042787 
1 1 1    4    5    3 o  144.462   0.9167 20255.80  257.056 20077.67  360.938 20439.15  366.184  143.818   1.2929  145.107   1.3000 -1.288788 1.833449 
1 1 1    4    5    4 f  139.970   1.0574 18985.37  276.634 18894.69  346.754 19144.12  458.802  139.515   1.2804  140.425   1.6831 -0.9104156 2.114766 
1 1 1    4    5    5 o  180.347   0.9991 31597.36  348.593 31328.67  513.317 31827.33  474.892  179.633   1.4721  181.061   1.3511 -1.428406 1.998162 
1 1 1    4    5    6 o  118.210   0.8063 13567.63  184.762 13529.94  268.373 13601.59  254.745  118.053   1.1711  118.367   1.1087 -0.3136368 1.612661 
1 1 1    4    5    7 o  149.714   0.8811 21759.76  256.055 21745.14  361.514 21774.48  362.721  149.663   1.2444  149.764   1.2477 -0.1008453 1.762132 
1 1 1    4    5    8 o   73.820   0.6760  5308.40   94.299  5372.76  120.679  5207.50  151.115   74.398   0.8356   73.243   1.0629 1.155151 1.352010 
1 1 1    4    5    9 o  251.956   1.1039 61627.18  539.907 61415.07  762.268 61840.72  764.825  251.521   1.5612  252.392   1.5611 -0.8700867 2.207801 
1 1 1    4    5   10 o  232.388   1.0917 52423.55  492.469 52557.14  697.590 52290.82  695.327  232.683   1.5444  232.093   1.5433 0.5902557 2.183392 
1 1 1    4    5   11 o  165.347   0.9629 26534.07  309.033 26204.21  433.294 26875.60  440.882  164.301   1.3585  166.393   1.3650 -2.091400 1.925824 
1 1 1    4    5   12 o  285.049   1.1809 78879.64  653.441 78702.63  922.237 79058.09  925.984  284.728   1.6686  285.370   1.6716 -0.6421509 2.361859 
1 1 1    4    5   13 o  116.414   0.8671 13150.86  194.846 13196.84  291.713 13113.82  261.812  116.597   1.2889  116.231   1.1604 0.3658295 1.734253 
1 1 1    4    5   14 o  143.436   1.0136 19977.36  278.235 19944.72  431.095 20000.67  364.262  143.333   1.5494  143.539   1.3073 -0.2055359 2.027228 
1 1 1    4    5   15 o  159.093   1.1038 24562.98  339.910 24431.00  462.996 24717.27  500.615  158.632   1.5036  159.555   1.6163 -0.9230957 2.207533 
1 1 1    4    5   16 o  155.863   0.9731 23586.26  294.422 23488.51  416.160 23684.21  416.590  155.540   1.3783  156.186   1.3740 -0.6467590 1.946229 
1 1 1    4    5   17 o  155.972   0.9914 23622.52  300.152 23539.99  423.478 23705.83  425.487  155.699   1.4011  156.246   1.4029 -0.5473938 1.982725 
1 1 1    4    5   18 o  131.644   1.0172 16828.83  259.916 16783.89  365.142 16874.98  370.061  131.467   1.4308  131.822   1.4462 -0.3555145 2.034360 
1 1 1    4    5   19 o  114.109   0.9065 12645.46  200.785 12805.55  284.645 12486.91  283.266  114.828   1.2770  113.390   1.2869 1.438148 1.812991 
1 1 1    4    5   20 o   80.854   0.7376  6347.81  115.732  6329.98  161.529  6366.61  165.900   80.738   1.0306   80.971   1.0555 -0.2323227 1.475214 
1 1 1    4    5   21 o  119.210   0.9454 13805.73  218.773 13790.33  309.231 13821.16  309.553  119.143   1.3371  119.276   1.3369 -0.1331100 1.890805 
1 1 1    4    5   22 o   47.198   0.8785  2135.85   75.576  2245.99  133.527  2083.93   91.674   48.074   1.4308   46.322   1.0195 1.752487 1.756911 
1 1 1    4    5   23 o   23.495   1.2292  549.265   54.189  388.926   76.749  708.652   76.521   19.990   1.9779   27.001   1.4600 -7.010355 2.458336 
1 1 1    4    5   24 o   51.816   0.7556  2605.98   75.964  2525.47  105.402  2692.99  109.577   50.985   1.0650   52.648   1.0722 -1.663471 1.511220 
1 1 1    4    5   25 o   59.725   0.7729  3464.01   89.580  3564.17  128.788  3370.12  124.684   60.561   1.0955   58.890   1.0907 1.671387 1.545889 
1 1 1    4    5   26 o  123.717   1.1232 14900.09  269.747 14961.31  382.782 14839.71  380.191  123.969   1.5906  123.465   1.5863 0.5037918 2.246465 
1 1 1    4    5   27 o   42.184   0.8834  1731.35   72.255  1847.14  103.090  1619.55  101.300   43.572   1.2188   40.795   1.2792 2.777405 1.766884 
1 1 1    4    5   28 o   21.049   1.5526  436.015   63.249  462.330   88.106  408.033   90.854   21.717   2.0900   20.381   2.2965 1.336000 3.105138 
1 1 1    4    5   29 o   13.339   2.4321  185.289   63.690  159.207   89.022  212.637   91.158   12.398   3.5295   14.279   3.3471 -1.880314 4.864143 
1 1 1    4    5   30 o   22.731   1.4339  512.247   63.089  475.933   90.203  547.022   88.271   21.921   2.1198   23.541   1.9316 -1.620228 2.867877 
1 1 1    4    5   31 o   40.179   0.9321  1582.95   72.603  1695.49  103.997  1475.95  101.405   41.581   1.2884   38.777   1.3472 2.803936 1.864102 
1 1 1    4    5   32 o   36.506   1.0530  1316.12   74.571  1259.16  105.184  1373.69  105.738   35.700   1.5178   37.313   1.4598 -1.612751 2.105916 
1 1 1    4    5   33 o   48.129   0.8915  2282.58   83.274  2230.31  116.760  2336.69  118.801   47.567   1.2645   48.692   1.2569 -1.125736 1.782911 
1 1 1    4    6    0 o  346.345   1.4710 116436.50  988.819 115524.40  1384.12 117387.40  1413.13  344.960   2.0670  347.730   2.0935 -2.769287 2.941986 
1 1 1    4    6    1 o  304.129   1.6069 89723.98  929.754 90189.92  1470.71 89413.81  1199.96  304.777   2.4859  303.481   2.0369 1.296021 3.213806 
1 1 1    4    6    2 o   72.027   0.5649  5035.46   78.984  5034.32  111.403  5036.62  112.001   72.018   0.7969   72.035   0.8010 -0.1647186E-01 1.129842 
1 1 1    4    6    3 o  122.452   0.8587 14553.23  203.612 14528.12  278.185 14582.21  298.823  122.339   1.1714  122.565   1.2560 -0.2265625 1.717452 
1 1 1    4    6    4 o  265.589   1.5972 68490.11  806.596 68459.94  1040.65 68535.51  1276.56  265.529   2.0190  265.648   2.4755 -0.1192017 3.194445 
1 1 1    4    6    5 o   94.811   0.6968  8726.49  128.153  8717.46  184.593  8734.89  178.055   94.764   1.0035   94.859   0.9670 -0.9523773E-01 1.393550 
1 1 1    4    6    6 o  166.110   0.9659 26782.72  310.625 26882.82  456.754 26696.60  423.687  166.397   1.4141  165.823   1.3162 0.5735321 1.931860 
1 1 1    4    6    7 o  181.541   0.9662 31988.97  340.464 32504.26  486.013 31492.43  477.087  182.976   1.3683  180.106   1.3646 2.870331 1.932470 
1 1 1    4    6    8 o  269.017   1.1610 70274.88  605.227 70450.05  832.038 70078.01  881.982  269.375   1.5912  268.658   1.6912 0.7174377 2.322074 
1 1 1    4    6    9 o  224.857   1.0681 49081.44  466.192 49352.09  661.375 48814.18  657.234  225.473   1.5111  224.241   1.5099 1.232101 2.136136 
1 1 1    4    6   10 o   82.690   0.6440  6636.99  103.369  6569.53  146.147  6704.52  146.226   82.269   0.9151   83.110   0.9064 -0.8409500 1.288014 
1 1 1    4    6   11 o  327.433   1.2079 104077.90  767.734 104390.70  1089.42 103769.30  1082.09  327.922   1.7114  326.945   1.7050 0.9771729 2.415794 
1 1 1    4    6   12 f  213.911   1.0755 44413.67  446.544 43952.13  626.487 44890.30  636.652  212.781   1.5167  215.040   1.5252 -2.258759 2.150968 
1 1 1    4    6   13 o  166.400   0.9846 26876.33  318.026 27190.06  452.224 26569.35  447.330  167.360   1.3920  165.439   1.3929 1.921356 1.969228 
1 1 1    4    6   14 o  303.239   1.4102 89050.18  804.096 90211.27  1315.70 88357.94  1015.90  304.799   2.2237  301.679   1.7348 3.120178 2.820339 
1 1 1    4    6   15 o  126.809   0.8853 15609.21  217.914 15735.95  310.398 15486.04  306.004  127.316   1.2559  126.301   1.2481 1.014893 1.770641 
1 1 1    4    6   16 o  122.261   0.8938 14512.34  211.972 14517.84  294.393 14506.41  305.460  122.286   1.2402  122.236   1.2873 0.4940796E-01 1.787536 
1 1 1    4    6   17 o   97.716   0.7997  9270.91  151.674  9239.19  216.067  9301.72  212.967   97.551   1.1410   97.881   1.1208 -0.3300629 1.599445 
1 1 1    4    6   18 o  126.044   0.9361 15426.29  229.041 15493.70  325.601 15360.26  322.251  126.316   1.3279  125.772   1.3199 0.5447693 1.872289 
1 1 1    4    6   19 o  166.564   1.0407 26948.27  336.466 26716.73  473.457 27184.52  478.250  165.841   1.4707  167.286   1.4728 -1.445374 2.081335 
1 1 1    4    6   20 o  137.419   1.0118 18345.53  269.905 18427.15  382.764 18264.81  380.653  137.723   1.4317  137.115   1.4301 0.6078644 2.023638 
1 1 1    4    6   21 o   53.833   0.6828  2814.62   71.341  2847.66  100.392  2780.91  101.397   54.153   0.9550   53.514   0.9761 0.6390457 1.365586 
1 1 1    4    6   22 o   78.363   0.7742  5964.67  117.771  5962.48  167.110  5966.84  166.003   78.349   1.0988   78.378   1.0911 -0.2902985E-01 1.548460 
1 1 1    4    6   23 o   58.797   0.7429  3355.85   84.759  3260.30  118.159  3457.13  121.651   57.935   1.0507   59.658   1.0505 -1.723152 1.485721 
1 1 1    4    6   24 o   87.060   0.8603  7363.27  145.361  7572.58  207.737  7162.47  203.472   88.272   1.2123   85.847   1.2210 2.424339 1.720639 
1 1 1    4    6   25 o   29.066   1.1321  822.430   63.809  871.779   90.716  774.103   89.771   29.931   1.5613   28.201   1.6399 1.730328 2.264276 
1 1 1    4    6   26 o   48.548   0.8256  2292.24   77.772  2248.07  110.881  2335.00  109.113   48.086   1.1879   49.010   1.1469 -0.9237251 1.651208 
1 1 1    4    6   27 o   49.880   0.8408  2419.25   81.386  2339.12  113.793  2503.17  116.448   49.034   1.1955   50.725   1.1826 -1.691628 1.681608 
1 1 1    4    6   28 o   14.083   2.2972  204.639   61.594  224.415   88.064  185.701   86.179   14.765   3.1675   13.402   3.3279 1.362994 4.594314 
1 1 1    4    6   29 o   47.248   0.8517  2176.36   78.100  2193.35  111.721  2160.12  109.221   47.427   1.2135   47.069   1.1954 0.3573761 1.703399 
1 1 1    4    6   30 o   31.438   1.1124  971.770   67.778  922.438   96.720  1019.37   95.010   30.641   1.6261   32.236   1.5183 -1.594814 2.224747 
1 1 1    4    6   31 o   32.135   1.1199  1020.17   69.649  934.167   98.763  1105.25   98.237   30.762   1.6539   33.508   1.5103 -2.745310 2.239737 
1 1 1    4    6   32 o   28.541   1.2519  814.323   68.894  910.307   96.713  715.436   98.165   30.305   1.6440   26.777   1.8885 3.527658 2.503880 
1 1 1    4    6   33 o   28.297   1.2945  800.056   70.651  931.446  103.033  683.445   97.065   30.527   1.7387   26.067   1.9183 4.459661 2.588986 
1 1 1    4    7    0 o  245.215   1.5536 58413.64  725.935 58197.31  1140.18 58561.12  941.401  244.826   2.3991  245.604   1.9746 -0.7778320 3.107190 
1 1 1    4    7    1 f  252.635   1.4014 61958.80  687.236 61598.20  965.119 62329.72  978.822  251.890   1.9738  253.381   1.9901 -1.490723 2.802896 
1 1 1    4    7    2 o  349.247   1.6579 118363.10  1100.41 118092.40  1417.63 118773.40  1745.44  348.759   2.0940  349.735   2.5710 -0.9763184 3.315830 
1 1 1    4    7    3 o  414.860   1.5565 167105.09  1253.36 166451.70  1760.70 167776.41  1784.58  414.039   2.1907  415.681   2.2116 -1.642639 3.112936 
1 1 1    4    7    4 o  289.304   1.3871 81272.95  776.879 81269.57  1141.35 81275.88  1060.45  289.294   2.0324  289.315   1.8882 -0.2099609E-01 2.774196 
1 1 1    4    7    5 o  227.595   1.0930 50335.69  480.898 49851.34  711.553 50742.94  652.467  226.582   1.6178  228.608   1.4703 -2.026016 2.186078 
1 1 1    4    7    6 f   48.975   0.5157  2308.83   47.080  2260.52   58.579  2396.97   79.120   48.258   0.6253   49.692   0.8202 -1.433907 1.031401 
1 1 1    4    7    7 o  167.587   0.9724 27302.89  315.681 26632.94  458.167 27908.38  435.571  165.626   1.4250  169.549   1.3234 -3.922928 1.944792 
1 1 1    4    7    8 o   82.431   0.7168  6607.81  111.702  6649.49  142.850  6542.23  179.201   82.767   0.8891   82.095   1.1245 0.6723404 1.433533 
1 1 1    4    7    9 o  216.830   1.0551 45639.29  444.091 45900.23  629.808 45381.25  626.285  217.447   1.4921  216.214   1.4922 1.232819 2.110194 
1 1 1    4    7   10 o  222.014   1.0689 47846.70  460.650 47680.86  649.940 48014.10  652.984  221.627   1.5107  222.400   1.5125 -0.7730865 2.137760 
1 1 1    4    7   11 o  128.951   0.8531 16139.46  213.537 15971.29  300.257 16311.57  303.748  128.272   1.2059  129.631   1.2071 -1.359207 1.706214 
1 1 1    4    7   12 o  618.275   1.6361 371176.00  1963.59 371423.41  2781.53 370930.31  2772.35  618.480   2.3168  618.070   2.3107 0.4100342 3.272166 
1 1 1    4    7   13 o  296.147   1.3794 85169.80  770.643 85229.17  980.650 85073.95  1246.15  296.293   1.7050  296.000   2.1688 0.2931213 2.758739 
1 1 1    4    7   14 o  360.661   1.4553 126288.60  1018.79 127397.70  1450.13 125207.60  1431.64  362.224   2.0624  359.097   2.0538 3.126343 2.910561 
1 1 1    4    7   15 o  228.814   1.5102 50796.54  663.908 51195.13  1016.03 50499.54  877.041  229.587   2.2798  228.041   1.9813 1.545914 3.020402 
1 1 1    4    7   16 o  165.691   1.0307 26654.45  331.511 26953.96  470.961 26360.30  466.722  166.613   1.4562  164.768   1.4592 1.845154 2.061486 
1 1 1    4    7   17 o  157.895   0.9987 24209.21  306.109 24230.70  433.587 24187.87  432.223  157.965   1.4140  157.826   1.4108 0.1395111 1.997435 
1 1 1    4    7   18 o  203.317   1.3656 40120.26  538.278 40961.70  784.423 39371.43  739.999  205.326   1.9681  201.309   1.8937 4.017365 2.731168 
1 1 1    4    7   19 o  120.525   0.9478 14117.84  221.523 14338.77  308.026 13881.15  318.815  121.504   1.3060  119.545   1.3739 1.958931 1.895525 
1 1 1    4    7   20 o   94.585   0.8374  8688.45  153.749  8724.44  218.827  8653.36  216.068   94.778   1.1894   94.392   1.1792 0.3863449 1.674878 
1 1 1    4    7   21 o  132.918   0.9924 17165.33  256.061 17249.06  363.645 17082.99  360.625  133.239   1.4060  132.596   1.4011 0.6424561 1.984887 
1 1 1    4    7   22 o  117.160   1.0160 13339.59  231.035 13365.62  329.779 13314.51  323.770  117.271   1.4487  117.049   1.4250 0.2219391 2.032024 
1 1 1    4    7   23 o   97.527   0.9174  9242.90  173.672  9239.81  246.344  9245.96  244.881   97.510   1.3015   97.543   1.2933 -0.3318024E-01 1.834764 
1 1 1    4    7   24 o   85.698   0.8523  7137.56  141.783  7139.16  200.637  7135.96  200.387   85.708   1.2059   85.689   1.2047 0.1905823E-01 1.704583 
1 1 1    4    7   25 o  117.672   1.0742 13472.90  245.360 13544.80  348.381 13402.14  345.619  117.983   1.5211  117.361   1.5171 0.6221924 2.148342 
1 1 1    4    7   26 o   43.007   0.8771  1798.30   73.189  1808.41  105.352  1788.88  101.750   43.123   1.2585   42.892   1.2221 0.2311478 1.754249 
1 1 1    4    7   27 o  101.955   0.9705 10121.00  192.071 10047.65  270.678 10195.38  272.590  101.583   1.3727  102.327   1.3723 -0.7441254 1.941001 
1 1 1    4    7   28 o   30.338   1.0942  899.965   64.277  872.117   93.390  925.030   88.601   29.884   1.6099   30.792   1.4823 -0.9075184 2.188370 
1 1 1    4    7   29 o   40.883   0.9004  1630.90   71.428  1626.52  102.491  1635.03   99.599   40.827   1.2932   40.940   1.2533 -0.1132736 1.800867 
1 1 1    4    7   30 o   36.603   0.9973  1310.62   70.805  1367.32  102.616  1259.10   97.824   37.356   1.4151   35.850   1.4057 1.506565 1.994625 
1 1 1    4    7   31 o   43.604   0.8991  1866.07   76.012  1801.09  108.835  1927.96  106.209   42.849   1.3084   44.359   1.2334 -1.509621 1.798161 
1 1 1    4    7   32 o   14.571   2.3301  230.699   64.248  241.963   94.311  220.945   87.764   14.887   3.3450   14.254   3.2447 0.6330128 4.660154 
1 1 1    4    7   33 o   18.216   2.0436  359.677   68.615  284.171   99.881  427.152   94.420   16.024   3.3202   20.408   2.3834 -4.383734 4.087118 
1 1 1    4    8    0 o  116.007   0.7917 13062.55  178.291 13168.10  252.945 12958.33  251.346  116.473   1.1188  115.542   1.1206 0.9314651 1.583497 
1 1 1    4    8    1 f  101.031   0.7472  9910.15  146.400  9959.14  202.792  9856.82  211.570  101.292   1.0314  100.770   1.0816 0.5220413 1.494489 
1 1 1    4    8    2 o  174.902   1.1106 29765.82  374.410 30312.96  503.126 29086.80  560.498  176.710   1.4667  173.095   1.6681 3.615036 2.221240 
1 1 1    4    8    3 o  193.219   1.0663 36243.40  399.934 36358.60  565.363 36128.00  565.823  193.526   1.5050  192.911   1.5110 0.6148376 2.132587 
1 1 1    4    8    4 o  126.768   0.8548 15600.54  210.337 15693.76  297.983 15507.97  296.945  127.146   1.2073  126.391   1.2103 0.7548752 1.709525 
1 1 1    4    8    5 o   64.318   0.5354  4011.92   66.812  3913.59   92.599  4118.69   96.493   63.496   0.7513   65.139   0.7631 -1.642479 1.070863 
1 1 1    4    8    6 o   81.912   0.6309  6510.88  100.257  6569.26  144.675  6456.95  139.062   82.265   0.9060   81.559   0.8784 0.7059174 1.261866 
1 1 1    4    8    7 o  203.255   1.0587 40131.35  416.252 39851.63  613.622 40369.78  566.533  202.596   1.5603  203.914   1.4312 -1.318451 2.117301 
1 1 1    4    8    8 o  169.053   0.9394 27741.09  308.276 27454.22  433.926 28033.42  438.040  168.170   1.3292  169.935   1.3279 -1.764709 1.878880 
1 1 1    4    8    9 o   76.402   0.6163  5665.93   91.404  5641.06  129.364  5690.73  129.166   76.234   0.8742   76.569   0.8690 -0.3349075 1.232628 
1 1 1    4    8   10 o  141.902   0.8858 19544.82  243.996 19351.46  343.737 19741.20  346.403  141.195   1.2541  142.609   1.2513 -1.414780 1.771624 
1 1 1    4    8   11 o  243.588   1.1142 57599.57  526.863 57784.50  746.683 57416.20  743.521  243.977   1.5766  243.199   1.5750 0.7787323 2.228486 
1 1 1    4    8   12 o  155.036   1.1452 23339.99  342.924 23275.34  510.936 23392.98  462.595  154.839   1.6999  155.233   1.5352 -0.3940887 2.290482 
1 1 1    4    8   13 o  320.652   1.3247 99721.55  819.226 100725.70  1233.61 98929.30  1095.73  322.089   1.9730  319.215   1.7683 2.873932 2.649488 
1 1 1    4    8   14 o  268.839   1.5056 70176.20  727.808 70171.46  877.217 70186.66  1303.75  268.846   1.6809  268.831   2.4983 0.1495361E-01 3.011155 
1 1 1    4    8   15 o  144.318   1.0461 20197.36  288.897 20081.88  377.519 20360.55  448.783  143.824   1.3522  144.811   1.5965 -0.9874420 2.092191 
1 1 1    4    8   16 o  310.481   1.7794 93326.61  1051.11 95419.52  1669.00 91950.82  1353.19  313.320   2.7441  307.642   2.2659 5.677032 3.558746 
1 1 1    4    8   17 o  176.341   1.1252 30199.90  385.179 30259.86  545.133 30140.13  544.319  176.516   1.5909  176.167   1.5917 0.3496094 2.250473 
1 1 1    4    8   18 o  126.291   0.9046 15486.38  221.762 15243.75  312.265 15733.26  314.991  125.293   1.2839  127.289   1.2748 -1.996254 1.809282 
1 1 1    4    8   19 o  115.660   0.9030 12992.31  202.730 12953.28  286.416 13031.50  286.991  115.486   1.2776  115.834   1.2763 -0.3482208 1.805929 
1 1 1    4    8   20 o  223.215   1.1961 48424.93  518.241 47930.96  731.458 48922.80  734.357  222.071   1.6968  224.359   1.6862 -2.287827 2.392128 
1 1 1    4    8   21 o   48.375   0.7213  2272.17   67.686  2285.86   97.658  2259.52   93.899   48.515   1.0370   48.236   1.0028 0.2793350 1.442557 
1 1 1    4    8   22 o  112.172   0.9701 12226.98  211.239 12152.12  298.414 12302.16  299.061  111.828   1.3747  112.516   1.3692 -0.6888046 1.940256 
1 1 1    4    8   23 o   40.860   0.7900  1621.80   62.634  1685.81   89.095  1559.24   88.070   41.658   1.1018   40.062   1.1325 1.595310 1.579999 
1 1 1    4    8   24 o   85.631   0.8529  7125.72  141.754  6979.91  199.348  7274.86  201.612   84.745   1.2118   86.518   1.2005 -1.773125 1.705741 
1 1 1    4    8   25 o   37.142   0.9500  1342.64   68.431  1315.83   98.376  1367.76   95.251   36.781   1.3778   37.504   1.3084 -0.7226830 1.900081 
1 1 1    4    8   26 o   44.823   0.8769  1955.65   76.223  1864.09  108.280  2045.59  107.317   43.780   1.2741   45.867   1.2053 -2.086693 1.753897 
1 1 1    4    8   27 o   83.146   0.8591  6724.50  138.620  6850.31  198.810  6605.46  193.378   83.901   1.2207   82.390   1.2091 1.511024 1.718144 
1 1 1    4    8   28 o   24.331   1.3041  576.908   61.275  665.132   89.609  499.426   83.976   26.079   1.7701   22.584   1.9156 3.495455 2.608166 
1 1 1    4    8   29 o   40.437   0.8855  1593.97   69.409  1617.29  101.164  1573.23   95.406   40.711   1.2801   40.162   1.2238 0.5491753 1.770953 
1 1 1    4    8   30 o   53.694   0.8182  2813.64   85.183  2871.26  123.957  2762.07  117.257   54.208   1.1780   53.179   1.1359 1.028214 1.636423 
1 1 1    4    8   31 o   13.865   2.3149  204.908   62.425  273.010   90.818  143.915   85.947   16.098   3.0171   11.632   3.5117 4.466114 4.629819 
1 1 1    4    8   32 o   34.614   1.0552  1180.20   70.780  1247.93  103.869  1121.48   96.711   35.533   1.5059   33.695   1.4786 1.837303 2.110411 
1 1 1    4    8   33 o   10.850   2.4039  121.290   65.218   15.285   96.891  209.103   88.186   8.0246   3.4499   13.676   3.3487 -5.651036 4.807889 
1 1 1    4    9    0 o   55.169   0.4707  2953.95   50.400  3015.87   71.617  2893.19   70.940   55.742   0.6619   54.596   0.6694 1.145523 0.9413415 
1 1 1    4    9    1 o  225.149   1.3719 49209.24  599.535 48738.71  841.563 49694.14  854.321  224.056   1.9349  226.241   1.9453 -2.185104 2.743738 
1 1 1    4    9    2 o   57.629   0.4837  3219.08   54.067  3346.33   78.286  3103.02   74.761   58.716   0.6868   56.541   0.6812 2.174850 0.9673306 
1 1 1    4    9    3 o  236.807   1.1618 54433.95  533.996 55365.11  761.617 53533.59  748.911  238.798   1.6430  234.815   1.6430 3.983032 2.323564 
1 1 1    4    9    4 o   64.331   0.5282  4015.59   65.944  3935.83   92.142  4099.35   94.418   63.677   0.7454   64.986   0.7485 -1.309322 1.056351 
1 1 1    4    9    5 o  128.563   0.8682 16045.31  216.656 15942.27  304.481 16151.00  308.351  128.145   1.2240  128.981   1.2316 -0.8359833 1.736375 
1 1 1    4    9    6 o   83.551   0.7196  6760.65  114.180  6701.20  146.666  6852.11  181.920   83.087   0.9094   84.015   1.1155 -0.9277725 1.439168 
1 1 1    4    9    7 o  150.810   0.9230 22087.10  269.623 21967.05  393.799 22193.04  369.928  150.423   1.3486  151.197   1.2604 -0.7741241 1.845919 
1 1 1    4    9    8 o  122.858   0.8359 14644.48  198.996 14772.48  290.880 14531.86  272.833  123.362   1.2147  122.354   1.1487 1.007935 1.671839 
1 1 1    4    9    9 o  209.803   1.0377 42729.03  422.632 42764.08  597.620 42693.96  597.763  209.889   1.4668  209.717   1.4684 0.1721954 2.075468 
1 1 1    4    9   10 o  139.113   0.8787 18784.73  237.297 18712.53  334.875 18857.55  336.307  138.844   1.2425  139.381   1.2430 -0.5369568 1.757493 
1 1 1    4    9   11 o  239.463   1.1160 55665.64  518.766 55865.46  734.901 55467.20  732.396  239.891   1.5782  239.034   1.5784 0.8566284 2.232031 
1 1 1    4    9   12 o  444.667   1.3958 192013.50  1202.54 192652.91  1652.19 191293.30  1753.63  445.458   1.9107  443.875   2.0352 1.583313 2.791561 
1 1 1    4    9   13 o  117.154   0.8320 13322.90  189.208 13364.19  268.495 13282.17  266.675  117.334   1.1788  116.974   1.1744 0.3605576 1.664003 
1 1 1    4    9   14 o  203.336   1.0845 40139.39  428.065 40218.31  604.489 40059.99  606.266  203.537   1.5300  203.135   1.5375 0.4012451 2.169024 
1 1 1    4    9   15 o   33.659   1.0415  1099.85   68.010  1096.62   94.502  1103.32   97.953   33.608   1.4485   33.711   1.4969 -0.1021843 2.082997 
1 1 1    4    9   16 o  159.652   0.9989 24747.77  309.562 24375.93  436.107 25125.40  439.485  158.443   1.4179  160.861   1.4074 -2.417831 1.997847 
1 1 1    4    9   17 o  118.235   0.8792 13571.26  201.704 13640.86  289.956 13506.00  280.770  118.528   1.2602  117.942   1.2264 0.5861893 1.758438 
1 1 1    4    9   18 o   72.212   0.7103  5065.76   99.489  4971.99  142.766  5154.28  138.719   71.562   1.0277   72.863   0.9808 -1.301079 1.420607 
1 1 1    4    9   19 o   43.197   0.6817  1807.42   57.062  1882.52   83.757  1742.38   77.950   44.032   0.9799   42.362   0.9479 1.670166 1.363388 
1 1 1    4    9   20 o  151.606   1.0951 22332.54  322.273 22489.76  458.753 22179.36  452.831  152.132   1.5534  151.080   1.5441 1.052414 2.190273 
1 1 1    4    9   21 o  158.324   1.1102 24363.36  341.205 24494.92  484.664 24234.09  480.437  158.748   1.5728  157.901   1.5674 0.8466644 2.220461 
1 1 1    4    9   22 o   68.977   0.7338  4613.15   98.068  4742.42  143.982  4501.28  133.941   69.876   1.0615   68.078   1.0135 1.797546 1.467663 
1 1 1    4    9   23 o  114.257   1.0393 12685.53  230.458 12931.29  330.493 12452.92  321.526  115.333   1.4762  113.181   1.4634 2.151779 2.078661 
1 1 1    4    9   24 o   91.501   0.8902  8135.40  158.085  8261.58  226.673  8015.90  220.584   92.191   1.2666   90.812   1.2513 1.379448 1.780480 
1 1 1    4    9   25 o  118.202   1.0768 13595.50  247.065 13663.57  351.694 13529.18  347.156  118.493   1.5290  117.911   1.5167 0.5816650 2.153665 
1 1 1    4    9   26 o   82.754   0.8571  6655.93  137.616  6759.87  198.197  6559.17  191.226   83.376   1.2246   82.132   1.1994 1.243881 1.714132 
1 1 1    4    9   27 o   18.275   1.8353  331.726   62.454  417.505   91.407  256.623   85.531   20.643   2.2811   15.907   2.8758 4.736080 3.670693 
1 1 1    4    9   28 o   36.457   0.9593  1297.53   67.542  1279.71  100.340  1312.30   91.332   36.219   1.4272   36.695   1.2822 -0.4761581 1.918520 
1 1 1    4    9   29 o   13.821   2.2548  195.097   60.026  266.478   89.622  137.026   80.835   16.097   2.9778   11.544   3.3866 4.552878 4.509589 
1 1 1    4    9   30 o   55.677   0.8116  3029.59   87.601  3006.05  126.951  3050.99  121.034   55.461   1.1792   55.894   1.1155 -0.4331245 1.623236 
1 1 1    4    9   31 o   65.007   0.8168  4131.95  102.981  4227.76  149.314  4045.03  142.218   65.718   1.1704   64.296   1.1395 1.421646 1.633511 
1 1 1    4    9   32 o   7.6288   2.3196   1.6084   63.818 -47.2502   96.223   39.979   85.272   6.9659   3.1839   8.2918   3.3740 -1.325895 4.639125 
1 1 1    4    9   33 o   25.655   1.4033  664.948   69.477  662.800  103.828  666.690   93.494   25.562   2.0925   25.748   1.8705 -0.1868305 2.806678 
1 1 1    4   10    0 o  123.880   0.9312 14905.39  220.302 14944.56  287.108 14849.32  343.541  124.079   1.1920  123.680   1.4309 0.3991699 1.862369 
1 1 1    4   10    1 o  191.100   1.0538 35451.59  390.910 35673.90  553.893 35230.98  551.774  191.697   1.4885  190.503   1.4921 1.193832 2.107587 
1 1 1    4   10    2 o   76.063   0.5894  5615.92   87.023  5630.52  122.773  5601.17  123.367   76.162   0.8304   75.964   0.8366 0.1988068 1.178782 
1 1 1    4   10    3 o   48.576   0.5143  2304.82   46.699  2345.15   58.875  2236.38   76.684   49.154   0.6170   47.999   0.8230 1.154461 1.028625 
1 1 1    4   10    4 o  198.762   1.0860 38360.17  419.029 38393.76  592.627 38326.58  592.567  198.849   1.5353  198.675   1.5365 0.1741028 2.172080 
1 1 1    4   10    5 o  209.396   1.1140 42574.11  452.815 42753.88  640.537 42394.53  640.218  209.838   1.5725  208.954   1.5784 0.8840179 2.228024 
1 1 1    4   10    6 o  171.419   1.0214 28527.72  339.866 28783.09  482.107 28275.42  479.191  172.181   1.4424  170.656   1.4465 1.525345 2.042787 
1 1 1    4   10    7 o  371.401   1.4586 133838.70  1039.61 134677.20  1597.39 133222.70  1369.29  372.395   2.2097  370.406   1.9044 1.988861 2.917114 
1 1 1    4   10    8 o  208.792   1.0843 42319.27  437.653 42328.43  649.214 42311.64  592.532  208.810   1.6017  208.773   1.4621 0.3767395E-01 2.168644 
1 1 1    4   10    9 o  345.598   1.4570 115998.10  968.273 115658.20  1472.84 116256.80  1284.99  345.145   2.1983  346.050   1.9129 -0.9053650 2.914070 
1 1 1    4   10   10 o  249.723   1.1153 60533.32  540.623 59974.99  761.020 61102.14  768.143  248.561   1.5772  250.885   1.5773 -2.324814 2.230565 
1 1 1    4   10   11 o   91.378   0.7023  8102.85  124.558  7959.90  174.506  8251.32  177.845   90.557   0.9927   92.199   0.9937 -1.642776 1.404600 
1 1 1    4   10   12 o  222.417   1.2966 47985.52  556.406 47655.11  745.530 48400.93  835.966  221.557   1.7335  223.277   1.9288 -1.720596 2.593264 
1 1 1    4   10   13 o  101.152   0.7568  9931.54  148.590  9820.22  209.467 10044.28  210.815  100.582   1.0728  101.723   1.0676 -1.141029 1.513535 
1 1 1    4   10   14 o  195.993   1.1350 37323.25  428.987 37036.50  643.245 37552.96  575.716  195.311   1.6966  196.675   1.5080 -1.363693 2.269909 
1 1 1    4   10   15 o   58.100   0.6379  3276.53   71.945  3292.23  102.247  3261.14  101.251   58.237   0.9044   57.962   0.8999 0.2756577 1.275865 
1 1 1    4   10   16 o  217.453   1.2551 45963.37  521.458 46138.25  680.563 45714.73  811.504  217.967   1.6085  216.938   1.9270 1.029144 2.510105 
1 1 1    4   10   17 o   94.190   0.8204  8614.62  149.974  8540.29  213.527  8686.98  210.691   93.788   1.1728   94.591   1.1474 -0.8026962 1.640789 
1 1 1    4   10   18 o   91.938   0.8922  8239.45  153.756  8085.73  251.524  8331.17  194.283   91.244   1.4201   92.631   1.0805 -1.386810 1.784378 
1 1 1    4   10   19 o   22.684   1.0588  507.567   45.874  442.779   68.405  560.519   61.842   21.346   1.6508   24.022   1.3262 -2.675932 2.117536 
1 1 1    4   10   20 o   72.906   0.7212  5162.47  102.049  5063.02  144.637  5261.05  144.002   72.206   1.0319   73.606   1.0078 -1.399406 1.442422 
1 1 1    4   10   21 o   63.203   0.7086  3880.56   86.905  3825.68  124.003  3933.52  121.830   62.763   1.0178   63.642   0.9861 -0.8796768 1.417183 
1 1 1    4   10   22 o  100.090   0.9297  9734.00  180.630  9580.23  254.701  9889.60  256.205   99.294   1.3214  100.886   1.3083 -1.591652 1.859481 
1 1 1    4   10   23 o   82.025   0.8230  6532.14  130.968  6666.78  189.178  6408.21  181.495   82.835   1.1765   81.215   1.1512 1.620453 1.646057 
1 1 1    4   10   24 o  118.014   1.0703 13545.49  245.179 13645.27  349.360 13448.65  344.170  118.442   1.5195  117.587   1.5078 0.8544693 2.140658 
1 1 1    4   10   25 o   45.248   0.8253  1991.64   72.340  1967.45  105.446  2013.15   99.427   44.986   1.2075   45.510   1.1255 -0.5244293 1.650676 
1 1 1    4   10   26 o   52.895   0.8011  2717.02   82.155  2780.50  119.656  2660.42  112.998   53.478   1.1526   52.313   1.1127 1.164410 1.602122 
1 1 1    4   10   27 o   27.181   1.2262  723.253   64.494  685.823   93.373  757.401   89.186   26.499   1.8152   27.863   1.6489 -1.363640 2.452323 
1 1 1    4   10   28 o   40.319   0.9063  1582.67   70.538  1601.15  105.768  1567.86   94.665   40.522   1.3446   40.116   1.2157 0.4065628 1.812669 
1 1 1    4   10   29 o   35.796   0.9967  1268.19   68.267  1128.12  101.859  1382.41   91.984   33.954   1.5454   37.638   1.2590 -3.683750 1.993311 
1 1 1    4   10   30 o   25.745   1.2590  651.870   62.832  695.529   91.617  613.103   86.332   26.557   1.7772   24.932   1.7838 1.624697 2.518003 
1 1 1    4   10   31 o   25.736   1.3267  668.662   65.056  556.330   95.518  765.854   88.849   23.619   2.0833   27.853   1.6433 -4.233990 2.653373 
1 1 1    4   10   32 o   28.927   1.2490  849.852   68.582  724.151  103.144  949.466   91.819   26.879   1.9768   30.976   1.5270 -4.097248 2.497918 
1 1 1    4   10   33 o   10.898   2.6339  126.300   67.715  163.272   99.409   94.296   92.490   11.981   3.8042   9.8139   3.6438 2.167354 5.267746 
1 1 1    4   11    0 o  144.029   0.9053 20137.59  253.098 20154.85  358.280 20120.39  357.590  144.091   1.2809  143.967   1.2795 0.1231842 1.810521 
1 1 1    4   11    1 o   44.425   0.5254  1915.18   45.306  1950.76   64.701  1880.94   63.461   44.830   0.7435   44.021   0.7427 0.8096237 1.050856 
1 1 1    4   11    2 o  115.813   0.8025 13017.85  180.384 12844.93  252.816 13197.16  257.448  115.030   1.1322  116.596   1.1375 -1.566360 1.604921 
1 1 1    4   11    3 o   42.907   0.4022  1785.20   33.473  1741.72   46.311  1832.75   48.435   42.360   0.5632   43.453   0.5742 -1.092819 0.8043052 
1 1 1    4   11    4 o   96.740   0.7308  9084.95  137.240  9054.99  193.578  9115.23  194.599   96.580   1.0325   96.900   1.0345 -0.3206482 1.461648 
1 1 1    4   11    5 o   70.247   0.6703  4803.71   87.958  4740.03  145.279  4840.56  110.516   69.877   1.0710   70.617   0.8062 -0.7396698 1.340553 
1 1 1    4   11    6 o   98.074   0.7342  9334.88  139.758  9166.16  195.956  9509.55  199.385   97.172   1.0388   98.976   1.0378 -1.803452 1.468382 
1 1 1    4   11    7 o  193.650   1.0422 36383.25  390.232 36654.00  578.958 36157.84  528.262  194.308   1.5349  192.992   1.4101 1.315964 2.084316 
1 1 1    4   11    8 o  429.302   1.5213 178995.50  1255.70 178569.41  1910.95 179319.30  1665.84  428.842   2.2956  429.763   1.9968 -0.9208374 3.042513 
1 1 1    4   11    9 o  251.525   1.1745 61351.92  570.191 61998.48  855.224 60834.53  765.036  252.715   1.7433  250.336   1.5743 2.378983 2.348989 
1 1 1    4   11   10 o  203.718   1.0945 40330.60  431.500 39702.37  633.008 40875.91  589.752  202.233   1.6125  205.203   1.4805 -2.969894 2.189076 
1 1 1    4   11   11 o   38.369   0.5190  1428.84   38.655  1441.10   54.893  1416.79   54.441   38.532   0.7339   38.206   0.7341 0.3264236 1.038005 
1 1 1    4   11   12 o  321.640   1.2363 100434.90  771.893 100538.80  1091.40 100330.90  1091.84  321.807   1.7471  321.474   1.7496 0.3330688 2.472587 
1 1 1    4   11   13 o  141.250   0.9262 19362.10  253.931 19746.18  362.853 18993.45  355.485  142.623   1.3106  139.878   1.3092 2.744797 1.852496 
1 1 1    4   11   14 o   61.260   0.7398  3669.23   85.522  3760.23  109.576  3527.41  136.795   62.240   0.9070   60.280   1.1690 1.959602 1.479600 
1 1 1    4   11   15 o  194.648   1.2173 36806.14  457.564 36629.05  681.805 36951.26  617.196  194.217   1.8085  195.078   1.6299 -0.8614960 2.434531 
1 1 1    4   11   16 o   86.034   0.8472  7221.22  136.810  7325.67  173.341  7048.67  222.792   86.867   1.0280   85.201   1.3471 1.665474 1.694494 
1 1 1    4   11   17 o  187.987   1.2195 34291.20  442.999 33988.10  597.492 34661.23  660.177  187.071   1.6454  188.902   1.8004 -1.831406 2.438950 
1 1 1    4   11   18 o   53.478   0.6476  2777.22   67.074  2766.95   98.163  2786.22   91.863   53.385   0.9472   53.571   0.8834 -0.1865845 1.295231 
1 1 1    4   11   19 o   51.055   0.7953  2482.55   73.203  2662.04  132.665  2403.97   87.775   52.352   1.3054   49.759   0.9087 2.592907 1.590590 
1 1 1    4   11   20 o   74.951   0.7260  5456.46  105.595  5389.73  150.529  5521.11  148.167   74.499   1.0409   75.403   1.0123 -0.9035797 1.451951 
1 1 1    4   11   21 o   38.110   0.7696  1411.30   56.839  1399.36   82.660  1422.01   78.284   37.956   1.1219   38.264   1.0540 -0.3076706 1.539297 
1 1 1    4   11   22 o   79.443   0.9218  6163.43  136.960  6250.71  172.656  6015.30  224.932   80.218   1.1088   78.669   1.4729 1.549385 1.843618 
1 1 1    4   11   23 f   46.189   0.7678  2072.19   68.721  2078.83  100.317  2066.32   94.330   46.258   1.1172   46.121   1.0536 0.1368904 1.535659 
1 1 1    4   11   24 o   81.226   0.8255  6409.56  130.110  6487.94  186.917  6335.88  181.223   81.706   1.1785   80.745   1.1562 0.9611740 1.650950 
1 1 1    4   11   25 o   88.658   0.8793  7636.67  151.236  7794.19  218.502  7491.81  209.540   89.533   1.2572   87.783   1.2297 1.750526 1.758602 
1 1 1    4   11   26 o   40.608   0.9016  1606.39   70.952  1542.14  101.889  1666.88   98.863   39.815   1.3183   41.400   1.2302 -1.585037 1.803120 
1 1 1    4   11   27 o   17.819   1.9113  324.411   62.828  261.633   92.738  377.670   85.418   16.009   3.0962   19.629   2.2417 -3.620289 3.822558 
1 1 1    4   11   28 o   27.778   1.1899  749.910   63.887  803.596   95.889  707.056   85.671   28.661   1.7235   26.895   1.6410 1.766861 2.379756 
1 1 1    4   11   29 o   34.764   1.0009  1176.38   67.319  1239.00  100.213  1124.89   90.877   35.597   1.4502   33.930   1.3798 1.666973 2.001735 
1 1 1    4   11   30 f   29.759   1.1567  868.889   66.686  913.665   98.146  830.491   90.888   30.463   1.6597   29.055   1.6115 1.407822 2.313350 
1 1 1    4   11   31 o   16.532   2.0450  283.976   62.691  384.532   92.022  196.889   85.638   19.538   2.4263   13.527   3.2925 6.010947 4.089935 
1 1 1    4   11   32 o   33.713   1.1132  1125.17   72.764  1151.42  105.937  1101.71  100.118   34.072   1.6017   33.353   1.5464 0.7193336 2.226349 
1 1 1    4   11   33 o   16.712   2.1470  306.359   67.030  240.546   96.154  368.578   93.492   14.588   3.4498   18.835   2.5570 -4.247679 4.294089 
1 1 1    4   12    0 o   78.371   0.7691  5960.53  116.979  6100.60  167.036  5825.72  163.876   79.275   1.0855   77.468   1.0898 1.806580 1.538108 
1 1 1    4   12    1 o   66.312   0.6337  4251.34   78.442  4206.90   98.027  4330.45  130.797   65.833   0.7671   66.791   1.0088 -0.9575348 1.267333 
1 1 1    4   12    2 o   65.643   0.5338  4181.87   68.015  4132.20   95.257  4233.53   97.148   65.246   0.7521   66.041   0.7578 -0.7950439 1.067671 
1 1 1    4   12    3 o   62.238   0.5184  3759.46   62.623  3725.09   87.815  3795.03   89.330   61.948   0.7303   62.527   0.7360 -0.5788307 1.036786 
1 1 1    4   12    4 o   69.124   0.5594  4638.04   75.059  4601.90  105.953  4674.46  106.347   68.854   0.7927   69.395   0.7895 -0.5406570 1.118773 
1 1 1    4   12    5 o  322.926   1.4013 101262.60  878.312 100677.80  1232.63 101865.80  1251.83  321.979   1.9721  323.872   1.9912 -1.892395 2.802521 
1 1 1    4   12    6 o  296.155   1.2864 85164.40  739.563 85543.75  1046.74 84786.27  1045.06  296.814   1.8167  295.497   1.8219 1.317383 2.572896 
1 1 1    4   12    7 o  424.380   1.5088 175040.00  1233.51 173497.30  1858.51 176254.70  1649.10  422.696   2.2650  426.064   1.9939 -3.367950 3.017624 
1 1 1    4   12    8 o  452.922   1.5504 199105.20  1348.58 199644.30  2064.76 198704.20  1780.92  453.445   2.3457  452.399   2.0279 1.046112 3.100816 
1 1 1    4   12    9 o  323.227   1.3155 101425.60  823.790 101414.80  1202.96 101435.20  1130.45  323.209   1.9174  323.246   1.8016 -0.3689575E-01 2.630959 
1 1 1    4   12   10 o  253.496   1.1915 62324.54  583.292 62944.38  872.396 61823.45  784.402  254.632   1.7650  252.359   1.6012 2.272537 2.383071 
1 1 1    4   12   11 o  123.385   0.8635 14786.05  206.643 14548.56  297.003 15008.89  287.694  122.424   1.2498  124.346   1.1919 -1.922409 1.726994 
1 1 1    4   12   12 o  151.654   0.9410 22326.10  277.007 22432.46  391.860 22219.85  391.634  152.016   1.3279  151.293   1.3335 0.7221832 1.881930 
1 1 1    4   12   13 o  276.143   1.1914 74029.28  638.653 74584.16  906.117 73481.50  900.294  277.172   1.6841  275.115   1.6858 2.056549 2.382885 
1 1 1    4   12   14 o  331.163   1.4215 106499.20  913.821 106805.50  1291.30 106191.90  1293.38  331.640   2.0058  330.685   2.0149 0.9547729 2.843069 
1 1 1    4   12   15 o  168.169   1.0154 27457.74  331.474 27601.25  470.285 27316.06  467.280  168.606   1.4369  167.733   1.4351 0.8732300 2.030832 
1 1 1    4   12   16 o  233.097   1.1674 52766.68  528.213 53231.66  750.416 52310.06  743.641  234.115   1.6512  232.079   1.6507 2.035416 2.334802 
1 1 1    4   12   17 f  168.764   1.1751 27550.68  373.555 27208.76  472.681 28119.48  609.652  167.388   1.4547  170.140   1.8459 -2.751541 2.350233 
1 1 1    4   12   18 o  167.004   1.1206 27092.81  363.243 26663.95  511.981 27527.49  515.444  165.672   1.5920  168.335   1.5774 -2.662750 2.241117 
1 1 1    4   12   19 o   78.500   0.7369  5983.62  112.281  5889.98  158.335  6078.34  159.247   77.882   1.0473   79.118   1.0369 -1.235893 1.473768 
1 1 1    4   12   20 o   65.342   0.8555  4168.54  101.177  4087.02  178.151  4207.35  122.926   64.859   1.4150   65.825   0.9620 -0.9652481 1.711042 
1 1 1    4   12   21 o   52.099   0.7004  2635.63   70.764  2645.14  102.477  2626.96   97.837   52.188   1.0116   52.010   0.9691 0.1782990 1.400827 
1 1 1    4   12   22 o   91.352   0.8410  8108.11  149.116  8003.94  211.154  8211.75  210.611   90.766   1.1984   91.939   1.1801 -1.172142 1.681915 
1 1 1    4   12   23 o   70.715   0.7621  4860.10  104.484  4812.59  151.228  4903.50  144.524   70.382   1.1069   71.047   1.0479 -0.6651306 1.524247 
1 1 1    4   12   24 o   51.001   0.7756  2527.73   76.737  2518.51  110.418  2536.34  106.721   50.910   1.1173   51.092   1.0760 -0.1820030 1.551202 
1 1 1    4   12   25 f   21.815   1.4810  476.228   61.081  376.984   90.204  560.266   83.006   19.647   2.3652   23.983   1.7829 -4.336514 2.961914 
1 1 1    4   12   26 o   44.777   1.0689  1981.89   88.833  2060.72  111.709  1846.30  146.510   46.029   1.2502   43.526   1.7340 2.503086 2.137740 
1 1 1    4   12   27 o   57.192   0.7955  3185.12   88.170  3140.48  127.869  3225.57  121.738   56.805   1.1596   57.579   1.0892 -0.7736816 1.590919 
1 1 1    4   12   28 o   32.867   1.0492  1048.75   66.657  1119.07   99.987  992.502   89.429   33.848   1.5218   31.886   1.4448 1.961609 2.098375 
1 1 1    4   12   29 o   37.450   0.9316  1372.30   67.541  1331.23   98.294  1409.03   92.964   36.909   1.3719   37.992   1.2606 -1.083275 1.863114 
1 1 1    4   12   30 o   39.334   0.9448  1517.86   71.907  1494.16  105.583  1538.36   98.201   39.031   1.3935   39.637   1.2763 -0.6063156 1.889663 
1 1 1    4   12   31 o   24.004   1.3874  581.981   63.599  504.829   94.410  646.083   86.055   22.461   2.1654   25.547   1.7353 -3.086596 2.774875 
1 1 1    4   12   32 o   25.755   1.3931  669.306   69.170  621.670  101.460  710.673   94.549   24.835   2.1046   26.676   1.8259 -1.840845 2.786235 
1 1 1    4   12   33 o   9.9676   2.7978   86.494   79.364   87.092  101.176   85.537  127.958   9.7361   3.7650   10.199   4.1395 -0.4629650 5.595644 
1 1 1    4   13    0 o  125.938   0.8590 15396.56  209.988 15559.97  298.386 15236.22  295.571  126.600   1.2142  125.276   1.2154 1.324020 1.717983 
1 1 1    4   13    1 o   92.364   0.8011  8272.56  139.517  8242.36  177.188  8321.83  226.326   92.145   0.9906   92.583   1.2593 -0.4383545 1.602241 
1 1 1    4   13    2 f   60.286   0.5027  3527.10   58.817  3489.03   82.264  3566.91   84.126   59.954   0.7069   60.619   0.7149 -0.6653938 1.005360 
1 1 1    4   13    3 o   61.790   0.5143  3701.54   61.646  3575.13   85.356  3839.38   89.127   60.689   0.7245   62.892   0.7300 -2.202854 1.028551 
1 1 1    4   13    4 o   97.053   0.7064  9143.33  133.072  9235.22  188.770  9052.55  187.621   97.538   0.9970   96.569   1.0009 0.9695053 1.412708 
1 1 1    4   13    5 o  249.886   1.2006 60631.52  582.370 60635.49  822.048 60627.51  825.153  249.895   1.6946  249.878   1.7011 0.1683044E-01 2.401182 
1 1 1    4   13    6 o  129.156   0.9593 16150.58  235.893 15975.96  304.361 16413.28  373.303  128.286   1.2222  130.026   1.4790 -1.739105 1.918647 
1 1 1    4   13    7 o  124.901   0.8637 15138.87  209.380 14870.22  293.080 15418.92  299.231  123.770   1.2198  126.033   1.2231 -2.262749 1.727421 
1 1 1    4   13    8 o   93.621   0.7208  8502.55  130.830  8606.55  190.370  8409.47  180.099   94.163   1.0415   93.079   0.9968 1.084038 1.441609 
1 1 1    4   13    9 o  256.100   1.1902 63668.44  588.724 63683.95  877.837 63655.76  793.675  256.126   1.7656  256.074   1.5967 0.5200195E-01 2.380481 
1 1 1    4   13   10 o  201.375   1.1303 39366.84  441.853 39544.06  624.944 39189.69  624.805  201.828   1.5951  200.922   1.6020 0.9065094 2.260685 
1 1 1    4   13   11 o  342.070   1.3603 113599.90  901.544 113661.00  1316.67 113546.00  1237.01  342.153   1.9824  341.986   1.8634 0.1669006 2.720670 
1 1 1    4   13   12 o  151.191   0.9628 22196.39  282.107 22081.53  410.482 22299.20  388.355  150.820   1.4021  151.563   1.3200 -0.7430878 1.925669 
1 1 1    4   13   13 o  157.709   0.9604 24143.53  294.024 23919.97  414.193 24370.63  417.451  156.973   1.3593  158.445   1.3573 -1.471848 1.920893 
1 1 1    4   13   14 f   71.763   0.6667  4997.54   92.854  4848.08  130.201  5152.23  132.459   70.671   0.9491   72.854   0.9366 -2.183228 1.333422 
1 1 1    4   13   15 o   60.261   0.7542  3490.53   85.147  3397.10  106.532  3655.77  141.678   59.157   0.9277   61.364   1.1894 -2.207859 1.508400 
1 1 1    4   13   16 o  183.082   1.3059 32535.56  462.047 32813.09  687.997 32307.55  623.604  183.786   1.9284  182.378   1.7615 1.407852 2.611823 
1 1 1    4   13   17 o   56.017   0.6503  3050.44   70.538  2979.89  102.752  3113.33   97.008   55.403   0.9554   56.631   0.8825 -1.227859 1.300596 
1 1 1    4   13   18 o   36.802   0.8059  1308.38   57.233  1256.78   76.266  1374.90   86.592   35.976   1.0921   37.627   1.1855 -1.651173 1.611853 
1 1 1    4   13   19 o  100.242   0.8315  9757.24  161.675  9803.34  233.417  9714.73  224.151  100.469   1.1968  100.016   1.1545 0.4528885 1.662941 
1 1 1    4   13   20 o   34.684   0.8025  1173.99   53.769  1079.46   77.737  1260.70   74.452   33.337   1.2012   36.030   1.0645 -2.692924 1.605038 
1 1 1    4   13   21 o   63.087   0.8476  3855.38   97.550  3898.13  170.496  3834.58  118.942   63.337   1.3867   62.837   0.9751 0.4997139 1.695255 
1 1 1    4   13   22 o  120.893   1.0461 14206.97  245.483 14165.50  348.753 14247.69  345.600  120.717   1.4883  121.069   1.4705 -0.3518600 2.092233 
1 1 1    4   13   23 o   87.076   0.8538  7368.40  144.301  7331.11  205.303  7404.82  202.864   86.857   1.2177   87.295   1.1972 -0.4373474 1.707589 
1 1 1    4   13   24 o   75.766   0.8012  5570.95  117.715  5732.37  171.296  5426.50  162.038   76.804   1.1489   74.729   1.1170 2.074638 1.602438 
1 1 1    4   13   25 o   66.418   0.7817  4290.03  100.719  4158.87  143.312  4418.04  141.581   65.412   1.1286   67.424   1.0817 -2.011253 1.563339 
1 1 1    4   13   26 o   76.397   0.8203  5676.24  121.584  5654.55  174.720  5696.61  169.299   76.253   1.1804   76.541   1.1395 -0.2882233 1.640626 
1 1 1    4   13   27 o   32.018   1.0633  1011.11   65.308  894.636   96.254  1110.48   88.902   30.275   1.6378   33.760   1.3566 -3.484697 2.126678 
1 1 1    4   13   28 o   44.665   0.8547  1950.91   73.597  1882.84  109.618  2006.78   99.308   43.941   1.2851   45.389   1.1271 -1.447758 1.709384 
1 1 1    4   13   29 o   11.454   2.2820  115.261   60.786  238.682   91.322   17.081   81.450   15.125   3.2098   7.7823   3.2447 7.342382 4.564083 
1 1 1    4   13   30 o   25.203   1.3197  633.638   64.014  570.468   93.517  689.333   87.810   23.973   2.0096   26.433   1.7113 -2.460169 2.639476 
1 1 1    4   13   31 o   13.396   2.3955  193.392   61.815  203.691   94.882  185.798   81.480   13.659   3.5470   13.133   3.2207 0.5261860 4.791048 
1 1 1    4   13   32 o   19.581   1.7675  395.135   66.323  375.147  100.453  410.582   88.308   19.046   2.7170   20.116   2.2614 -1.070013 3.534978 
1 1 1    4   13   33 o   9.5242   2.8613   49.672   91.923   43.830  138.236   54.304  123.078   9.6015   4.1241   9.4468   3.9672 0.1546698 5.722513 
1 1 1    4   14    0 f   15.001   0.6071  209.252   15.297  200.758   17.492  236.866   31.539   14.382   0.6266   15.620   1.0401 -1.238899 1.214263 
1 1 1    4   14    1 o  231.608   1.1586 52076.88  520.810 51425.00  729.020 52756.36  744.290  230.128   1.6319  233.087   1.6450 -2.959045 2.317145 
1 1 1    4   14    2 o  149.681   0.9340 21751.30  271.371 21698.22  383.017 21804.80  384.540  149.497   1.3198  149.864   1.3218 -0.3666229 1.867947 
1 1 1    4   14    3 o  169.001   0.9936 27729.31  325.973 27711.32  460.577 27747.36  461.416  168.946   1.4044  169.056   1.4060 -0.1097412 1.987275 
1 1 1    4   14    4 o   73.110   0.5867  5188.44   83.271  5178.29  117.856  5198.56  117.670   73.039   0.8313   73.182   0.8283 -0.1428680 1.173494 
1 1 1    4   14    5 o  103.141   0.7597 10326.28  152.091 10187.64  214.424 10466.64  215.761  102.444   1.0783  103.838   1.0704 -1.393425 1.519349 
1 1 1    4   14    6 o   58.240   0.6237  3322.13   67.176  3192.79  112.707  3393.40   83.660   57.352   1.0124   59.127   0.7289 -1.775681 1.247467 
1 1 1    4   14    7 f  199.411   1.1063 38602.13  428.234 38575.97  603.480 38628.64  607.771  199.343   1.5595  199.479   1.5696 -0.1357880 2.212619 
1 1 1    4   14    8 o  462.925   1.5637 208170.59  1393.22 207218.00  2110.04 208907.00  1855.11  461.976   2.3529  463.874   2.0602 -1.897949 3.127383 
1 1 1    4   14    9 o  204.686   1.0997 40698.41  435.283 40346.92  642.949 40995.82  591.438  203.868   1.6247  205.504   1.4826 -1.635910 2.199457 
1 1 1    4   14   10 o  240.491   1.1685 56108.91  542.918 56527.40  809.676 55767.02  731.817  241.303   1.7286  239.679   1.5729 1.623688 2.337093 
1 1 1    4   14   11 o  155.665   0.9719 23537.87  293.180 23245.12  425.957 23801.39  404.140  154.744   1.4180  156.586   1.3296 -1.842102 1.943864 
1 1 1    4   14   12 o  133.559   0.9094 17310.55  235.362 17410.38  343.617 17222.32  323.039  133.921   1.3218  133.197   1.2494 0.7240448 1.818805 
1 1 1    4   14   13 o  258.556   1.2449 64934.18  622.427 64580.57  919.932 65232.73  845.288  257.903   1.8375  259.210   1.6799 -1.306427 2.489706 
1 1 1    4   14   14 o   72.297   0.6605  5073.74   92.678  5075.17  132.529  5072.37  129.650   72.307   0.9442   72.287   0.9239 0.1982117E-01 1.321056 
1 1 1    4   14   15 o  258.832   1.1984 65060.27  602.138 65127.25  851.226 64993.18  851.877  258.965   1.6933  258.698   1.6964 0.2669678 2.396866 
1 1 1    4   14   16 o  220.228   1.1550 47104.03  493.774 46915.05  698.176 47293.15  698.429  219.786   1.6364  220.670   1.6305 -0.8843994 2.310062 
1 1 1    4   14   17 o  155.393   1.0576 23451.33  319.011 23512.95  451.325 23389.79  450.975  155.598   1.4942  155.189   1.4970 0.4082336 2.115138 
1 1 1    4   14   18 o   59.924   0.6719  3486.25   78.082  3493.29  112.935  3479.80  108.076   59.982   0.9699   59.867   0.9300 0.1150131 1.343751 
1 1 1    4   14   19 o   35.519   0.9021  1233.46   60.257  1259.09   76.703  1192.16   97.385   36.007   1.0974   35.030   1.4321 0.9769173 1.804229 
1 1 1    4   14   20 o  101.412   0.8796  9983.53  173.105  9683.64  241.346 10301.27  248.422   99.845   1.2452  102.980   1.2427 -3.135040 1.759244 
1 1 1    4   14   21 o  116.757   1.0492 13249.21  237.787 13273.15  337.700 13225.66  334.880  116.862   1.4887  116.653   1.4789 0.2081985 2.098359 
1 1 1    4   14   22 o   35.467   1.0299  1214.90   65.651  1243.34  118.348  1202.25   78.905   35.755   1.7051   35.178   1.1555 0.5763702 2.059768 
1 1 1    4   14   23 o  116.279   1.0560 13146.76  238.352 12954.24  335.622 13342.65  338.558  115.419   1.4980  117.138   1.4889 -1.718864 2.112066 
1 1 1    4   14   24 o   64.674   0.7585  4062.97   95.007  4083.17  139.256  4045.38  129.946   64.822   1.1067   64.526   1.0374 0.2959824 1.516919 
1 1 1    4   14   25 o   35.268   0.9514  1204.85   64.730  1252.22   97.882  1168.03   86.292   35.878   1.4054   34.658   1.2826 1.220478 1.902734 
1 1 1    4   14   26 o   23.455   1.3987  536.534   63.509  544.199   93.658  530.010   86.409   23.606   2.0439   23.305   1.9101 0.3006706 2.797473 
1 1 1    4   14   27 o   22.880   1.4327  509.467   63.385  547.481   94.886  478.834   85.178   23.642   2.0676   22.118   1.9839 1.523794 2.865438 
1 1 1    4   14   28 o   21.671   1.5181  449.904   63.003  560.381   98.418  373.195   82.009   23.869   2.1241   19.473   2.1695 4.395870 3.036166 
1 1 1    4   14   29 o   36.453   0.9824  1302.77   69.143  1267.43  102.473  1332.30   93.682   35.982   1.4671   36.924   1.3070 -0.9419060 1.964876 
1 1 1    4   14   30 o   47.961   0.8355  2241.23   77.543  2370.81  115.283  2134.16  104.793   49.214   1.2067   46.709   1.1557 2.504421 1.670916 
1 1 1    4   14   31 o   18.217   1.7910  330.866   62.712  401.663   95.597  277.384   83.089   19.916   2.4727   16.517   2.5915 3.399174 3.581903 
1 1 1    4   14   32 o   25.949   1.3625  666.563   68.116  751.415  104.435  603.740   89.862   27.349   1.9671   24.549   1.8857 2.800610 2.725017 
1 1 1    4   14   33 o   16.186   2.6696  333.142   91.692  135.828  143.441  469.477  119.234   11.409   4.4632   20.962   2.9303 -9.552402 5.339155 
1 1 1    4   15    0 o  178.461   1.2016 30914.50  401.756 30882.64  505.678 30969.02  661.568  178.347   1.4606  178.575   1.9085 -0.2277985 2.403286 
1 1 1    4   15    1 f   37.705   0.4702  1386.37   31.975  1397.52   38.717  1362.44   56.704   37.945   0.5256   37.465   0.7797 0.4802895 0.9403312 
1 1 1    4   15    2 o  172.282   1.0077 28816.48  336.991 28986.64  477.340 28647.41  475.819  172.790   1.4231  171.775   1.4270 1.014221 2.015330 
1 1 1    4   15    3 o  154.966   0.9671 23313.64  290.918 23172.65  409.907 23456.73  412.952  154.494   1.3668  155.438   1.3686 -0.9440613 1.934228 
1 1 1    4   15    4 o   96.115   0.8240  8916.70  148.802  8768.55  187.361  9169.77  244.878   95.042   1.0155   97.188   1.2980 -2.145790 1.648060 
1 1 1    4   15    5 o   45.796   0.4451  2035.71   39.562  2028.78   56.216  2042.51   55.687   45.718   0.6334   45.873   0.6254 -0.1544075 0.8901272 
1 1 1    4   15    6 o  352.430   1.4975 120625.60  1022.36 121032.50  1402.58 120164.40  1493.36  353.068   2.0465  351.791   2.1868 1.277100 2.995039 
1 1 1    4   15    7 o  235.978   1.1919 54055.34  545.978 53716.39  768.237 54401.24  776.081  235.231   1.6824  236.725   1.6889 -1.494614 2.383874 
1 1 1    4   15    8 o  199.994   1.1326 38826.74  439.714 39064.21  623.341 38591.54  620.370  200.603   1.6008  199.385   1.6028 1.217377 2.265287 
1 1 1    4   15    9 o  115.451   1.0142 12936.40  226.816 12974.78  331.824 12902.74  310.744  115.611   1.4786  115.290   1.3885 0.3203506 2.028328 
1 1 1    4   15   10 o  156.886   0.9743 23899.92  296.192 23774.39  431.417 24011.84  407.375  156.496   1.4201  157.277   1.3343 -0.7810211 1.948645 
1 1 1    4   15   11 f  174.002   1.0389 29419.92  350.254 28884.59  508.651 29902.64  483.012  172.494   1.5191  175.510   1.4177 -3.015656 2.077871 
1 1 1    4   15   12 o  139.826   0.9398 18981.89  254.729 18934.17  370.042 19024.87  351.181  139.658   1.3650  139.994   1.2923 -0.3353729 1.879652 
1 1 1    4   15   13 o  206.776   1.1764 41509.11  472.155 41905.33  671.456 41121.58  664.061  207.752   1.6650  205.800   1.6623 1.951843 2.352702 
1 1 1    4   15   14 o  198.590   1.2956 38296.44  499.460 38407.12  707.726 38186.62  704.968  198.876   1.8332  198.304   1.8314 0.5715942 2.591260 
1 1 1    4   15   15 o   70.057   0.9482  4761.71  128.895  4615.26  179.334  4918.21  185.387   68.944   1.3400   71.171   1.3419 -2.226791 1.896364 
1 1 1    4   15   16 o   90.502   0.7969  7951.78  139.958  7962.78  200.378  7941.30  195.570   90.562   1.1398   90.441   1.1140 0.1216431 1.593773 
1 1 1    4   15   17 o  223.240   1.2869 48418.18  557.697 48301.73  788.979 48534.48  788.425  222.972   1.8228  223.509   1.8172 -0.5372467 2.573900 
1 1 1    4   15   18 o  101.969   0.8181 10097.44  161.930 10099.12  230.222 10095.80  227.804  101.977   1.1630  101.961   1.1510 0.1620483E-01 1.636242 
1 1 1    4   15   19 o   99.258   0.8307  9568.76  160.064  9555.13  226.324  9582.40  226.407   99.187   1.1755   99.329   1.1742 -0.1415176 1.661473 
1 1 1    4   15   20 f  125.424   1.1936 15342.71  281.154 15492.73  356.112 15094.43  458.101  126.267   1.4529  124.582   1.8943 1.685165 2.387286 
1 1 1    4   15   21 o   94.896   0.8565  8749.14  157.768  8683.58  224.020  8813.65  222.226   94.543   1.2207   95.250   1.2019 -0.7068405 1.713054 
1 1 1    4   15   22 o   41.405   0.7807  1670.89   62.367  1610.74   92.515  1721.00   84.439   40.718   1.1705   42.093   1.0334 -1.375103 1.561399 
1 1 1    4   15   23 o   45.555   0.9574  2003.47   78.375  2054.37  141.396  1980.90   94.165   45.956   1.5850   45.153   1.0743 0.8021278 1.914795 
1 1 1    4   15   24 o   21.169   1.4558  445.832   58.540  378.875   88.002  498.979   78.403   19.703   2.3009   22.636   1.7843 -2.933161 2.911682 
1 1 1    4   15   25 o   81.418   0.8401  6448.73  132.696  6281.52  189.357  6610.07  186.008   80.377   1.2136   82.459   1.1621 -2.081230 1.680256 
1 1 1    4   15   26 o   82.821   0.8520  6664.96  136.796  6817.07  199.523  6530.03  187.915   83.708   1.2279   81.934   1.1815 1.774109 1.704013 
1 1 1    4   15   27 o   67.486   0.8058  4438.19  105.398  4332.44  152.335  4535.31  145.980   66.708   1.1764   68.265   1.1016 -1.556953 1.611671 
1 1 1    4   15   28 o   39.060   1.1968  1568.35   79.157  1337.55  149.676  1657.97   93.268   36.876   2.0909   41.245   1.1649 -4.368599 2.393544 
1 1 1    4   15   29 o   59.030   0.7932  3391.61   90.586  3499.57  134.571  3302.16  122.496   59.877   1.1578   58.183   1.0846 1.693199 1.586430 
1 1 1    4   15   30 o   30.699   1.1163  924.998   66.181  962.902   99.517  894.944   88.616   31.243   1.6409   30.156   1.5138 1.086466 2.232532 
1 1 1    4   15   31 o   23.540   1.4453  559.860   64.703  522.838  100.100  586.429   84.799   22.785   2.2631   24.294   1.7981 -1.508615 2.890527 
1 1 1    4   15   32 o   8.4900   2.4447   44.371   63.582   21.903   98.048   60.676   83.524   8.2415   3.5048   8.7385   3.4092 -0.4969835 4.889416 
1 1 1    4   15   33 o   10.407   2.8820   61.905   90.532  211.727  142.811 -38.7579  117.060   13.129   4.5702   7.6856   3.5125 5.443130 5.764022 
1 1 1    4   16    0 o   49.905   0.5481  2436.20   50.181  2476.17   61.876  2359.40   85.770   50.508   0.6311   49.301   0.8962 1.206787 1.096130 
1 1 1    4   16    1 o  158.692   1.2497 24413.70  381.384 24167.27  504.768 24741.53  582.198  157.765   1.6482  159.619   1.8790 -1.854080 2.499432 
1 1 1    4   16    2 o   71.468   0.6824  4958.40   91.157  4957.20  150.850  4959.09  114.409   71.460   1.0875   71.476   0.8246 -0.1620483E-01 1.364742 
1 1 1    4   16    3 o   96.900   0.7203  9114.86  135.494  9170.34  191.606  9059.36  191.628   97.195   1.0155   96.605   1.0219 0.5900192 1.440673 
1 1 1    4   16    4 o  195.402   1.0843 37068.55  411.287 37172.29  581.095 36964.43  582.202  195.676   1.5298  195.128   1.5371 0.5480957 2.168628 
1 1 1    4   16    5 o  100.782   0.7458  9859.27  145.906  9837.70  206.391  9880.83  206.294  100.672   1.0561  100.892   1.0533 -0.2204666 1.491615 
1 1 1    4   16    6 o  128.600   0.9700 16040.67  237.609 16121.59  374.444 15986.13  307.439  128.870   1.4968  128.330   1.2341 0.5391388 1.939995 
1 1 1    4   16    7 o   51.731   0.5803  2607.72   56.564  2640.76   72.054  2554.66   91.312   52.160   0.7116   51.302   0.9169 0.8578987 1.160658 
1 1 1    4   16    8 o  260.516   1.2521 65885.62  633.193 65838.95  892.183 65932.99  898.794  260.423   1.7649  260.609   1.7767 -0.1855469 2.504249 
1 1 1    4   16    9 o  179.606   1.0377 31331.13  360.941 31067.76  527.736 31562.61  494.753  178.896   1.5197  180.317   1.4135 -1.421219 2.075410 
1 1 1    4   16   10 o  102.008   0.7709 10100.12  152.564 10110.75  219.422 10090.16  212.272  102.059   1.1075  101.956   1.0725 0.1036835 1.541756 
1 1 1    4   16   11 o  122.907   0.8571 14666.22  204.299 14603.50  295.138 14723.92  283.084  122.654   1.2396  123.159   1.1841 -0.5053711 1.714249 
1 1 1    4   16   12 o  154.448   0.9969 23161.47  298.388 23073.92  434.178 23239.84  410.762  154.170   1.4508  154.725   1.3676 -0.5549774 1.993775 
1 1 1    4   16   13 o  159.165   1.0610 24584.07  325.197 24686.02  492.523 24505.28  433.002  159.455   1.5912  158.876   1.4040 0.5790405 2.122057 
1 1 1    4   16   14 o   92.917   0.7678  8380.62  138.479  8306.98  194.896  8455.69  196.795   92.504   1.0854   93.329   1.0863 -0.8242950 1.535569 
1 1 1    4   16   15 o  125.345   0.9462 15257.58  229.822 15222.81  334.761 15288.58  316.079  125.209   1.3773  125.482   1.2976 -0.2732925 1.892309 
1 1 1    4   16   16 o  183.667   1.2153 32779.98  431.528 32587.06  638.900 32941.82  585.177  183.163   1.7969  184.170   1.6368 -1.006302 2.430669 
1 1 1    4   16   17 o   81.538   0.7349  6449.10  116.195  6580.08  168.884  6331.37  160.116   82.322   1.0568   80.753   1.0214 1.569778 1.469771 
1 1 1    4   16   18 o   56.360   0.6564  3080.37   71.691  3147.39  104.882  3021.60   98.219   56.934   0.9490   55.786   0.9070 1.148468 1.312712 
1 1 1    4   16   19 o   56.468   0.6818  3096.86   74.703  3074.42  106.912  3118.26  104.424   56.268   0.9788   56.669   0.9493 -0.4006424 1.363522 
1 1 1    4   16   20 o   70.571   0.7416  4837.16  101.574  4823.90  145.046  4849.92  142.288   70.475   1.0602   70.666   1.0373 -0.1908035 1.483249 
1 1 1    4   16   21 o  151.720   1.3340 22405.88  382.986 22451.77  490.049 22333.87  613.883  151.958   1.6613  151.481   2.0877 0.4769135 2.668016 
1 1 1    4   16   22 o   47.643   0.7535  2208.97   69.480  2145.17  101.376  2265.49   95.415   46.991   1.1114   48.294   1.0178 -1.303341 1.506981 
1 1 1    4   16   23 o   74.067   0.7932  5325.40  113.795  5408.67  167.140  5253.45  155.365   74.604   1.1541   73.530   1.0885 1.073296 1.586448 
1 1 1    4   16   24 o   52.550   0.8055  2663.61   81.386  2827.39  125.484  2544.70  106.926   53.930   1.1987   51.171   1.0765 2.759159 1.611065 
1 1 1    4   16   25 o   72.750   0.9900  5054.43  132.041  4871.40  160.682  5435.07  231.717   70.785   1.1694   74.714   1.5977 -3.928833 1.979906 
1 1 1    4   16   26 o   86.528   0.8765  7267.30  146.912  7557.24  216.358  7019.26  200.121   88.121   1.2648   84.936   1.2138 3.185410 1.753004 
1 1 1    4   16   27 o   33.024   1.0386  1063.68   66.271  1065.65   98.631  1062.06   89.479   33.044   1.5376   33.004   1.3966 0.3986359E-01 2.077249 
1 1 1    4   16   28 o   34.923   0.9756  1189.03   65.842  1209.85   98.252  1172.06   88.708   35.191   1.4383   34.655   1.3186 0.5359650 1.951280 
1 1 1    4   16   29 o   51.118   0.8272  2546.06   81.672  2608.51  122.384  2495.91  109.664   51.668   1.2202   50.568   1.1172 1.100075 1.654400 
1 1 1    4   16   30 o   48.761   0.8519  2324.33   80.236  2369.46  120.098  2287.95  107.832   49.168   1.2583   48.354   1.1488 0.8138237 1.703855 
1 1 1    4   16   31 o   34.919   1.0071  1201.23   67.122  1204.80  104.956  1198.76   87.310   34.915   1.5486   34.924   1.2879 -0.9048462E-02 2.014139 
1 1 1    4   16   32 o   21.300   1.6002  467.948   63.693  436.151  102.917  487.686   81.087   20.558   2.5790   22.042   1.8951 -1.484547 3.200393 
1 1 1    4   16   33 o   13.096   2.9412  211.335   88.054  137.350  136.727  263.767  115.101   11.326   4.3776   14.866   3.9292 -3.540269 5.882342 
1 1 1    4   17    0 o  250.487   1.3803 60728.45  648.805 60147.38  816.879 61721.38  1067.83  248.887   1.6908  252.087   2.1821 -3.201004 2.760536 
1 1 1    4   17    1 o  145.041   1.0809 20434.72  292.463 20460.84  366.195 20388.71  485.988  145.175   1.2994  144.906   1.7277 0.2692719 2.161842 
1 1 1    4   17    2 o  111.409   0.9158 12115.13  190.150 12288.76  238.583 11812.80  314.828  112.513   1.0924  110.306   1.4703 2.207314 1.831693 
1 1 1    4   17    3 o  333.783   1.5220 108184.70  986.065 107848.10  1386.24 108529.30  1402.92  333.258   2.1429  334.307   2.1618 -1.049316 3.043903 
1 1 1    4   17    4 o   59.475   0.6098  3405.08   67.159  3341.07   82.929  3527.08  114.477   58.670   0.7282   60.280   0.9783 -1.609894 1.219558 
1 1 1    4   17    5 o  155.983   0.9830 23618.37  297.628 23535.86  419.924 23701.66  421.902  155.710   1.3893  156.257   1.3909 -0.5474854 1.965910 
1 1 1    4   17    6 o  285.107   1.2847 78906.30  710.947 78429.34  998.393 79396.95  1012.62  284.233   1.8095  285.980   1.8241 -1.747467 2.569364 
1 1 1    4   17    7 o  166.658   1.0250 26959.85  331.586 26736.94  466.592 27187.28  471.310  165.962   1.4483  167.354   1.4508 -1.391815 2.049978 
1 1 1    4   17    8 o  236.266   1.2151 54189.79  557.270 54032.64  785.086 54349.37  791.147  235.921   1.7143  236.611   1.7225 -0.6902161 2.430185 
1 1 1    4   17    9 o  239.041   1.1645 55457.56  538.100 55624.82  798.748 55318.58  728.123  239.368   1.7190  238.713   1.5713 0.6553040 2.328952 
1 1 1    4   17   10 o  158.326   0.9877 24344.85  302.937 24153.70  441.794 24514.49  416.186  157.739   1.4428  158.914   1.3492 -1.175369 1.975345 
1 1 1    4   17   11 o  111.087   0.8479 11960.06  182.466 12262.72  268.071 11698.79  249.069  112.394   1.2287  109.780   1.1688 2.614052 1.695786 
1 1 1    4   17   12 o  218.844   1.1661 46522.40  493.808 46169.70  726.541 46825.23  673.206  218.070   1.7163  219.618   1.5791 -1.547607 2.332245 
1 1 1    4   17   13 o  140.420   0.9431 19149.08  256.844 18972.22  370.021 19313.53  356.805  139.794   1.3636  141.047   1.3032 -1.253342 1.886147 
1 1 1    4   17   14 o   61.859   0.6487  3714.94   77.891  3668.75  110.451  3760.63  109.860   61.476   0.9255   62.242   0.9093 -0.7651711 1.297463 
1 1 1    4   17   15 o  162.684   1.0762 25698.23  339.841 25984.01  484.344 25421.11  476.957  163.574   1.5254  161.793   1.5186 1.781097 2.152438 
1 1 1    4   17   16 o   60.495   0.6654  3549.91   77.881  3587.04  115.211  3518.66  105.686   60.785   0.9764   60.204   0.9043 0.5812111 1.330850 
1 1 1    4   17   17 o   30.146   0.7976  883.676   46.090  874.698   70.830  890.270   60.699   30.012   1.2158   30.280   1.0327 -0.2681961 1.595156 
1 1 1    4   17   18 o  105.964   0.9008 10907.03  185.260 10806.30  263.513 11005.48  260.507  105.479   1.2870  106.448   1.2607 -0.9691772 1.801581 
1 1 1    4   17   19 o   20.880   1.2158  418.708   48.337  547.816   72.531  315.558   64.831   23.743   1.5737   18.016   1.8538 5.727112 2.431689 
1 1 1    4   17   20 o   24.089   1.4611  606.202   61.527  678.376   75.304  461.270  106.712   26.420   1.4683   21.758   2.5266 4.661970 2.922231 
1 1 1    4   17   21 o   37.979   0.8103  1398.60   59.570  1434.63   88.075  1368.21   80.875   38.429   1.1807   37.530   1.1101 0.8981857 1.620605 
1 1 1    4   17   22 f   95.067   1.0512  8791.00  185.823  8801.67  231.730  8771.78  311.017   95.171   1.2543   94.964   1.6872 0.2075729 2.102362 
1 1 1    4   17   23 o   43.150   0.7959  1796.73   66.316  1928.19  100.205  1694.28   88.459   44.544   1.1589   41.757   1.0913 2.786129 1.591831 
1 1 1    4   17   24 o   29.946   1.1136  872.334   64.185  876.424   97.404  869.194   85.332   30.002   1.6725   29.889   1.4707 0.1133080 2.227161 
1 1 1    4   17   25 o   83.655   0.8603  6800.80  139.453  6876.40  203.890  6734.35  191.158   84.088   1.2491   83.223   1.1833 0.8645630 1.720575 
1 1 1    4   17   26 o   90.214   0.8925  7913.25  156.089  8083.91  227.638  7761.82  214.439   91.126   1.2869   89.303   1.2370 1.823700 1.785007 
1 1 1    4   17   27 o   22.422   1.4423  491.506   62.477  507.086   93.600  478.986   83.905   22.732   2.1211   22.112   1.9548 0.6206779 2.884516 
1 1 1    4   17   28 o   45.649   0.8646  2022.48   76.293  2136.80  114.341  1930.73  102.428   46.800   1.2586   44.499   1.1858 2.300903 1.729227 
1 1 1    4   17   29 o   65.560   0.8105  4187.10  102.815  4327.32  152.603  4070.53  139.134   66.550   1.1813   64.570   1.1100 1.979660 1.620989 
1 1 1    4   17   30 f  102.387   0.9939 10299.38  197.466 10322.35  283.150 10277.62  275.524  102.482   1.4233  102.291   1.3876 0.1906433 1.987767 
1 1 1    4   17   31 o   18.880   1.8769  393.323   61.608  283.313   98.451  464.130   78.985   16.192   3.2452   21.567   1.8866 -5.374578 3.753751 
1 1 1    4   17   32 o   21.394   1.6301  480.672   65.003  406.813  102.132  530.963   84.276   19.798   2.6575   22.990   1.8884 -3.192122 3.260134 
1 1 1    4   18    0 o   65.661   0.6657  4161.43   79.644  4117.46   96.874  4253.12  139.902   65.130   0.7662   66.192   1.0888 -1.061821 1.331402 
1 1 1    4   18    1 o  238.263   1.3554 55151.46  606.389 55236.54  766.232 55008.86  991.950  238.522   1.6549  238.004   2.1470 0.5174103 2.710795 
1 1 1    4   18    2 o  108.220   0.9226 11328.68  184.409 11239.05  227.600 11499.97  314.634  107.602   1.0896  108.838   1.4892 -1.236137 1.845294 
1 1 1    4   18    3 o   66.323   0.6683  4208.42   80.881  4095.34   98.150  4447.69  142.768   64.955   0.7784   67.690   1.0865 -2.734871 1.336583 
1 1 1    4   18    4 o  212.843   1.1386 43973.93  470.384 43598.09  660.415 44360.92  670.140  211.920   1.6054  213.766   1.6150 -1.845657 2.277140 
1 1 1    4   18    5 f  240.042   1.2019 55936.17  560.021 55877.01  789.144 55996.19  794.867  239.914   1.6945  240.169   1.7049 -0.2554169 2.403768 
1 1 1    4   18    6 o   12.101   0.9346  144.087   21.563  130.192   32.818  154.642   28.603   11.581   1.4598   12.622   1.1674 -1.041014 1.869216 
1 1 1    4   18    7 o  307.002   1.3364 91499.50  796.425 92354.88  1127.94 90649.05  1124.69  308.434   1.8839  305.571   1.8961 2.862152 2.672872 
1 1 1    4   18    8 o  445.287   1.6780 192505.20  1450.11 191328.70  2028.02 193736.00  2074.31  443.897   2.3536  446.678   2.3923 -2.780701 3.355933 
1 1 1    4   18    9 o  183.162   1.0939 32565.52  388.923 32382.84  546.227 32753.36  553.893  182.641   1.5407  183.683   1.5534 -1.041611 2.187876 
1 1 1    4   18   10 o  127.918   0.8900 15869.19  220.732 16166.80  321.320 15603.25  303.746  129.052   1.2826  126.783   1.2342 2.268547 1.780009 
1 1 1    4   18   11 o  394.241   1.4327 150888.91  1093.49 151231.91  1607.42 150593.41  1491.90  394.652   2.0982  393.829   1.9515 0.8230896 2.865448 
1 1 1    4   18   12 o   55.971   0.6130  3032.41   66.493  3190.00   97.474  2895.24   90.938   57.327   0.8759   54.614   0.8578 2.712593 1.225975 
1 1 1    4   18   13 o  135.695   0.9595 17876.13  252.426 17881.17  366.428 17871.58  348.235  135.713   1.3909  135.678   1.3222 0.3459167E-01 1.919082 
1 1 1    4   18   14 o   85.071   0.7437  7006.07  122.559  7323.49  180.477  6734.42  166.959   86.854   1.0704   83.289   1.0327 3.565659 1.487366 
1 1 1    4   18   15 o   72.228   0.7012  5067.09   98.268  4968.54  140.386  5161.76  137.600   71.539   1.0109   72.918   0.9721 -1.378464 1.402490 
1 1 1    4   18   16 o   46.700   0.6560  2118.85   59.254  2097.33   87.344  2137.19   80.651   46.479   0.9681   46.920   0.8855 -0.4406395 1.311963 
1 1 1    4   18   17 o   69.753   0.6861  4726.55   92.853  4589.22  132.059  4860.84  130.581   68.749   0.9895   70.756   0.9507 -2.006310 1.372249 
1 1 1    4   18   18 o   29.940   0.8505  869.239   49.304  889.116   72.707  852.319   67.084   30.256   1.2379   29.625   1.1665 0.6315651 1.700982 
1 1 1    4   18   19 o   14.743   1.7344  223.141   46.738  158.215   68.170  280.731   64.203   12.494   2.8710   16.991   1.9466 -4.496796 3.468711 
1 1 1    4   18   20 o   77.246   0.7841  5796.01  117.571  5776.45  167.130  5815.17  165.424   77.117   1.1165   77.375   1.1014 -0.2588348 1.568271 
1 1 1    4   18   21 o  111.133   0.9452 12000.67  203.877 12071.15  291.086 11932.79  285.643  111.453   1.3454  110.814   1.3279 0.6388092 1.890373 
1 1 1    4   18   22 o   42.823   0.7966  1783.19   66.013  1760.76   96.939  1802.59   90.144   42.569   1.1731   43.076   1.0780 -0.5063515 1.593218 
1 1 1    4   18   23 o   13.801   2.3933  202.762   63.552  237.764   80.600  145.239  103.327   15.360   2.8066   12.242   3.8776 3.118778 4.786670 
1 1 1    4   18   24 o   76.987   0.8176  5755.98  122.001  5852.58  178.088  5670.54  167.473   77.592   1.1824   76.381   1.1295 1.211021 1.635174 
1 1 1    4   18   25 o   62.464   1.0169  3740.19  110.151  3924.62  212.323  3672.27  128.847   63.465   1.7235   61.463   1.0799 2.001366 2.033846 
1 1 1    4   18   26 o   43.001   0.8787  1809.94   72.330  1736.77  110.707  1864.43   95.540   42.227   1.3506   43.775   1.1243 -1.548130 1.757336 
1 1 1    4   18   27 o   10.879   2.3625  102.076   59.659  193.565   90.021   30.425   79.666   13.657   3.4069   8.1005   3.2738 5.556309 4.724932 
1 1 1    4   18   28 o   75.049   0.8271  5493.87  120.392  5448.31  173.418  5536.26  167.268   74.741   1.1953   75.357   1.1435 -0.6163940 1.654151 
1 1 1    4   18   29 o   60.907   0.8063  3629.74   94.985  3552.49  139.549  3696.41  129.654   60.284   1.1925   61.531   1.0855 -1.246445 1.612564 
1 1 1    4   18   30 o   44.915   1.3261  1979.57  115.619  1979.57  115.619   0.0000   0.0000   44.915   1.3261  ?   ?       ?      ? 
1 1 1    4   18   31 o   43.526   0.8917  1872.12   74.590  1788.76  112.245  1938.05   99.818   42.610   1.3570   44.443   1.1570 -1.832691 1.783327 
1 1 1    4   18   32 o   6.6138   2.2103 -109.2709   75.006 -164.9282  101.796 -43.1604  110.944   5.7221   2.7935   7.5055   3.4260 -1.783463 4.420548 
1 1 1    4   19    0 o   93.138   0.8428  8305.60  143.952  8080.32  175.552  8767.98  251.504   91.238   0.9912   95.037   1.3633 -3.799049 1.685540 
1 1 1    4   19    1 o  251.819   1.3918 61557.04  658.859 61519.05  833.503 61620.30  1075.69  251.727   1.7057  251.912   2.1997 -0.1848145 2.783596 
1 1 1    4   19    2 o  109.091   0.9211 11523.15  185.942 11455.92  230.126 11649.60  315.591  108.636   1.0913  109.546   1.4841 -0.9097443 1.842113 
1 1 1    4   19    3 o  160.750   1.1532 25034.39  345.648 24902.37  431.813 25269.84  576.666  160.166   1.3889  161.334   1.8413 -1.168274 2.306396 
1 1 1    4   19    4 o  164.967   1.1825 26326.65  363.837 26089.87  454.309 26750.13  607.555  163.941   1.4276  165.994   1.8855 -2.052673 2.364979 
1 1 1    4   19    5 o  132.095   0.8969 16936.73  229.970 16813.50  323.763 17062.22  326.712  131.610   1.2673  132.580   1.2695 -0.9698486 1.793752 
1 1 1    4   19    6 o  203.031   1.1253 40015.48  443.511 39988.05  625.062 40043.29  629.398  202.961   1.5865  203.101   1.5964 -0.1399231 2.250693 
1 1 1    4   19    7 o   81.499   0.6599  6447.06  104.395  6447.94  147.995  6446.20  147.280   81.504   0.9354   81.493   0.9310 0.1095581E-01 1.319768 
1 1 1    4   19    8 o  444.056   1.6877 191469.80  1454.75 191308.91  2047.46 191633.80  2067.35  443.869   2.3763  444.244   2.3973 -0.3749390 3.375471 
1 1 1    4   19    9 o  113.078   0.8523 12401.94  186.715 12260.36  255.404 12564.47  273.651  112.385   1.1707  113.770   1.2391 -1.384544 1.704678 
1 1 1    4   19   10 o  292.244   1.2758 82994.67  720.854 82065.66  1065.42 83778.98  978.940  290.730   1.8878  293.758   1.7167 -3.027710 2.551690 
1 1 1    4   19   11 o  130.828   0.9128 16615.01  231.636 16618.43  334.289 16611.86  321.265  130.840   1.3162  130.815   1.2651 0.2508545E-01 1.825628 
1 1 1    4   19   12 o  186.920   1.0984 33942.66  397.674 33598.39  580.408 34247.27  545.963  186.024   1.6073  187.816   1.4975 -1.791885 2.196800 
1 1 1    4   19   13 o  113.382   0.8520 12477.16  187.331 12546.58  271.467 12414.04  258.838  113.682   1.2301  113.081   1.1792 0.6009750 1.704018 
1 1 1    4   19   14 o  135.860   0.9563 17914.53  251.878 18072.59  366.339 17772.81  346.876  136.427   1.3833  135.293   1.3208 1.133652 1.912596 
1 1 1    4   19   15 o   86.870   0.7466  7329.85  125.802  7219.03  180.566  7434.40  175.371   86.231   1.0787   87.509   1.0324 -1.277832 1.493134 
1 1 1    4   19   16 o   54.793   0.6645  2926.49   70.386  2735.03  102.058  3100.16   97.202   53.076   0.9906   56.510   0.8861 -3.433540 1.329062 
1 1 1    4   19   17 o   68.052   0.6757  4494.55   89.107  4530.81  130.133  4462.54  122.268   68.310   0.9814   67.795   0.9291 0.5151978 1.351402 
1 1 1    4   19   18 o   73.300   0.7094  5211.88  100.815  5320.60  146.854  5114.97  138.647   74.021   1.0220   72.578   0.9841 1.443214 1.418804 
1 1 1    4   19   19 o   39.250   0.9279  1531.72   66.851  1613.80   83.358  1383.79  111.909   40.764   1.0534   37.735   1.5277 3.028877 1.855726 
1 1 1    4   19   20 o  110.043   0.9366 11765.76  200.070 11818.44  283.882 11713.77  282.011  110.287   1.3260  109.798   1.3231 0.4892044 1.873230 
1 1 1    4   19   21 o   87.194   0.8206  7376.95  138.746  7572.84  201.880  7201.60  191.005   88.288   1.1779   86.099   1.1428 2.188805 1.641221 
1 1 1    4   19   22 o  145.267   1.2825 20525.00  361.515 20973.71  520.013 20105.28  502.933  146.800   1.8248  143.734   1.8025 3.066559 2.564993 
1 1 1    4   19   23 o   28.535   1.0934  786.324   60.324  859.342   90.333  727.551   81.044   29.721   1.5657   27.349   1.5266 2.372307 2.186747 
1 1 1    4   19   24 o   67.459   0.9249  4418.07  117.275  4396.44  148.180  4454.32  191.864   67.254   1.1350   67.664   1.4607 -0.4092865 1.849870 
1 1 1    4   19   25 o   47.517   0.8439  2209.22   77.197  2072.46  114.672  2322.57  104.397   46.157   1.2798   48.877   1.1003 -2.720242 1.687813 
1 1 1    4   19   26 o   49.296   0.8244  2380.20   78.103  2245.01  117.127  2488.44  104.805   48.016   1.2566   50.575   1.0675 -2.559002 1.648852 
1 1 1    4   19   27 o   7.6704   2.2957   2.8817   60.419 -44.5364   94.194   36.028   78.754   7.1323   3.2161   8.2086   3.2768 -1.076213 4.591418 
1 1 1    4   19   28 o   52.637   1.0053  2756.10   98.336  2887.55  124.178  2535.05  161.033   54.409   1.1757   50.864   1.6309 3.544895 2.010536 
1 1 1    4   19   29 o   66.094   0.8126  4265.35  103.582  4304.98  155.941  4234.06  138.567   66.343   1.2109   65.844   1.0841 0.4985657 1.625275 
1 1 1    4   19   30 o   21.824   1.5420  478.749   64.069  463.492   99.926  489.400   83.489   21.460   2.3988   22.189   1.9383 -0.7292824 3.084030 
1 1 1    4   19   31 o   29.681   1.1467  872.692   65.782  888.590   98.033  859.670   88.723   29.899   1.6891   29.463   1.5513 0.4362488 2.293355 
1 1 1    4   19   32 o   8.0545   2.5714 -127.3949   88.830   94.492  145.186 -260.1530  112.303   10.730   4.3884   5.3791   2.6812 5.350654 5.142701 
1 1 1    4   20    0 o  144.946   1.1140 20355.11  300.778 20252.60  375.296 20539.19  502.914  144.441   1.3385  145.451   1.7812 -1.010193 2.228052 
1 1 1    4   20    1 o   44.501   0.6257  1920.07   54.022  1858.55   74.868  1986.90   78.027   43.758   0.8814   45.244   0.8884 -1.485718 1.251471 
1 1 1    4   20    2 f  238.058   1.4458 54989.81  661.548 54793.96  875.440 55250.53  1010.08  237.569   1.8983  238.547   2.1813 -0.9774475 2.891666 
1 1 1    4   20    3 o  109.020   0.9699 11470.66  194.760 11329.30  239.419 11747.18  334.862  108.035   1.1416  110.005   1.5682 -1.970047 1.939702 
1 1 1    4   20    4 o  156.099   1.1800 23558.58  343.287 23316.73  428.074 23994.38  574.624  154.984   1.4229  157.213   1.8829 -2.228409 2.360070 
1 1 1    4   20    5 o  265.621   1.4480 68554.55  723.628 68728.89  917.306 68267.30  1177.45  266.078   1.7760  265.165   2.2875 0.9125061 2.896003 
1 1 1    4   20    6 o  121.797   0.8837 14412.01  208.700 14075.02  299.973 14728.14  290.546  120.415   1.2833  123.178   1.2151 -2.762840 1.767313 
1 1 1    4   20    7 o  209.226   1.1555 42497.07  469.271 42565.64  661.752 42427.71  665.564  209.396   1.6280  209.056   1.6401 0.3398590 2.310910 
1 1 1    4   20    8 o  301.487   1.3405 88248.32  784.519 88842.91  1108.57 87651.78  1110.38  302.505   1.8878  300.470   1.9037 2.035431 2.681079 
1 1 1    4   20    9 o  178.973   1.0899 31092.70  378.628 30824.47  532.222 31367.55  538.760  178.191   1.5387  179.754   1.5440 -1.562759 2.179779 
1 1 1    4   20   10 o   58.677   0.7327  3371.54   79.101  3248.31  134.228  3437.11   97.909   57.847   1.1954   59.506   0.8476 -1.659412 1.465366 
1 1 1    4   20   11 o  109.678   0.8219 11684.09  174.868 11458.11  250.656 11898.37  244.077  108.644   1.1885  110.712   1.1357 -2.068314 1.643898 
1 1 1    4   20   12 o  167.564   1.0350 27282.90  335.993 26863.22  488.629 27659.31  462.757  166.339   1.5133  168.789   1.4124 -2.450119 2.069967 
1 1 1    4   20   13 o   91.423   0.7597  8114.09  134.808  8113.91  192.134  8114.26  189.193   91.422   1.0827   91.424   1.0661 -0.2250671E-02 1.519408 
1 1 1    4   20   14 o  189.609   1.2006 34957.15  441.059 34194.66  639.560 35648.66  609.060  187.630   1.7560  191.587   1.6377 -3.956696 2.401119 
1 1 1    4   20   15 f   81.416   0.8672  6465.83  131.010  6333.28  219.270  6539.41  163.379   80.759   1.3987   82.072   1.0255 -1.312775 1.734352 
1 1 1    4   20   16 f  143.710   0.9912 20028.04  275.869 20483.93  406.166 19637.64  375.870  145.224   1.4408  142.197   1.3617 3.026291 1.982448 
1 1 1    4   20   17 o   14.688   1.6948  216.832   45.899  195.699   71.410  231.709   59.915   13.938   2.7371   15.438   1.9993 -1.500251 3.389543 
1 1 1    4   20   18 o   79.488   0.7381  6132.63  113.822  6221.24  164.389  6051.03  157.754   80.039   1.0580   78.938   1.0295 1.101379 1.476265 
1 1 1    4   20   19 o   56.272   0.7986  3075.74   84.887  3075.91  108.237  3075.47  136.820   56.279   0.9908   56.265   1.2527 0.1364136E-01 1.597138 
1 1 1    4   20   20 f  133.476   1.1253 17318.38  291.550 17433.59  414.912 17206.00  409.765  133.914   1.5961  133.038   1.5867 0.8757019 2.250596 
1 1 1    4   20   21 o  110.053   0.9773 11772.12  208.755 11749.79  297.922 11793.65  292.600  109.950   1.3959  110.158   1.3683 -0.2080078 1.954689 
1 1 1    4   20   22 o  136.340   1.1190 18081.48  296.163 18011.82  417.961 18151.74  419.720  136.076   1.5823  136.604   1.5828 -0.5274200 2.238073 
1 1 1    4   20   23 o   19.323   1.5592  360.286   57.896  440.681   86.473  294.966   77.945   21.261   2.0952   17.386   2.3095 3.874916 3.118321 
1 1 1    4   20   24 o   15.498   2.0622  247.921   59.516  176.131   86.830  311.536   81.737   13.138   3.3840   17.858   2.3578 -4.720132 4.124394 
1 1 1    4   20   25 o   26.018   1.2942  669.965   64.402  568.281   94.211  759.168   88.240   24.125   2.0118   27.912   1.6286 -3.787739 2.588313 
1 1 1    4   20   26 o   20.720   1.5871  400.609   62.157  555.499  100.732  305.369   78.989   23.803   2.1801   17.637   2.3071 6.165295 3.174181 
1 1 1    4   20   27 o   50.419   1.0259  2468.30   96.860  2429.65  121.441  2535.87  160.575   49.919   1.2532   50.920   1.6245 -1.000919 2.051751 
1 1 1    4   20   28 o   45.252   0.8761  2007.57   76.330  1927.00  114.209  2072.61  102.615   44.409   1.3249   46.095   1.1468 -1.685848 1.752260 
1 1 1    4   20   29 o   27.633   1.2386  763.962   65.213  690.316   99.286  819.841   86.484   26.393   1.9379   28.872   1.5431 -2.478561 2.477202 
1 1 1    4   20   30 o   10.679   2.5375  117.338   62.593   92.264   97.432  134.959   81.677   10.097   3.7416   11.262   3.4286 -1.165276 5.074938 
1 1 1    4   20   31 o   7.1891   2.2871 -29.4282   65.563 -11.0035  103.481 -41.7843   84.742   7.8249   3.4596   6.5533   2.9925 1.271651 4.574270 
1 1 1    4   20   32 o   14.393   2.9778  235.167   87.113  322.604  142.590  183.096  110.036   16.254   4.4080   12.532   4.0048 3.721113 5.955603 
1 1 1    4   21    0 o  244.667   1.5416 58121.15  732.062 58136.70  1025.82 58105.01  1045.03  244.701   2.1596  244.633   2.2006 0.6825256E-01 3.083285 
1 1 1    4   21    1 o  233.210   1.3611 52805.78  595.741 52820.95  751.989 52780.21  976.248  233.262   1.6607  233.157   2.1570 0.1051636 2.722248 
1 1 1    4   21    2 o  143.446   1.0906 19936.23  291.144 19840.35  362.893 20109.43  487.729  142.966   1.3076  143.926   1.7457 -0.9598999 2.181147 
1 1 1    4   21    3 o  188.187   1.2591 34325.54  442.849 34180.24  555.121 34579.88  734.427  187.645   1.5240  188.729   2.0047 -1.083694 2.518194 
1 1 1    4   21    4 o  489.290   1.9142 232653.41  1780.84 233379.20  2299.46 231565.59  2815.00  490.267   2.4162  488.312   2.9697 1.954895 3.828465 
1 1 1    4   21    5 o  402.623   1.7977 157415.41  1354.32 157440.09  1702.19 157372.70  2235.67  402.690   2.1776  402.557   2.8610 0.1330872 3.595415 
1 1 1    4   21    6 o  329.531   1.5777 105119.60  976.198 104204.40  1230.32 106675.00  1603.91  327.616   1.9346  331.446   2.4929 -3.830475 3.155488 
1 1 1    4   21    7 o   80.859   0.6726  6346.07  105.563  6314.77  148.566  6377.99  150.023   80.658   0.9489   81.060   0.9534 -0.4027252 1.345130 
1 1 1    4   21    8 o  197.284   1.1295 37782.97  432.544 37695.51  607.789 37872.72  615.709  197.053   1.5889  197.515   1.6059 -0.4622192 2.259093 
1 1 1    4   21    9 o  160.175   1.0399 24898.88  323.263 25553.40  461.395 24267.83  453.046  162.242   1.4650  158.108   1.4761 4.134033 2.079723 
1 1 1    4   21   10 o  275.055   1.3259 73453.02  707.924 74198.55  1003.05 72713.07  999.275  276.445   1.8692  273.664   1.8811 2.781830 2.651819 
1 1 1    4   21   11 o  219.457   1.1591 46799.36  492.222 46248.24  723.022 47275.44  671.990  218.248   1.7066  220.665   1.5688 -2.416641 2.318108 
1 1 1    4   21   12 o  144.322   0.9793 20215.09  273.992 20351.25  398.530 20093.05  377.306  144.782   1.4180  143.862   1.3511 0.9194183 1.958624 
1 1 1    4   21   13 o   71.878   0.6726  5015.21   93.826  5024.73  134.130  5006.08  131.296   71.944   0.9604   71.811   0.9419 0.1333618 1.345196 
1 1 1    4   21   14 o  136.193   0.9506 18018.31  251.073 17825.18  361.849 18197.61  348.660  135.488   1.3758  136.899   1.3120 -1.410904 1.901118 
1 1 1    4   21   15 o  188.283   1.2697 34436.24  464.040 34328.97  653.419 34545.39  659.123  187.987   1.7906  188.578   1.8006 -0.5907288 2.539349 
1 1 1    4   21   16 o   51.760   0.8664  2596.41   86.824  2672.62  128.264  2531.95  117.958   52.459   1.2596   51.062   1.1901 1.397625 1.732827 
1 1 1    4   21   17 o   81.833   0.7376  6506.68  117.098  6278.73  166.313  6730.78  164.900   80.410   1.0655   83.256   1.0203 -2.846092 1.475239 
1 1 1    4   21   18 o   72.894   0.8471  5195.65  116.706  5319.90  149.886  5004.32  185.991   74.015   1.0432   71.774   1.3349 2.241043 1.694221 
1 1 1    4   21   19 o  106.321   0.9082 10982.92  187.446 10952.62  265.769 11012.90  264.414  106.175   1.2895  106.468   1.2794 -0.2925720 1.816481 
1 1 1    4   21   20 o  138.143   1.1842 18553.41  316.957 18594.39  463.053 18517.29  434.772  138.278   1.7251  138.007   1.6229 0.2716980 2.368500 
1 1 1    4   21   21 o  125.890   1.0682 15410.21  260.752 15368.92  377.455 15447.91  360.637  125.724   1.5466  126.057   1.4738 -0.3330154 2.136381 
1 1 1    4   21   22 o  115.112   1.2117 12737.63  256.576 12413.46  314.056 13388.24  444.924  112.984   1.4319  117.240   1.9550 -4.255966 2.423321 
1 1 1    4   21   23 o   57.375   0.7505  3193.83   83.217  3253.42  124.151  3145.22  112.138   57.857   1.1054   56.893   1.0154 0.9642487 1.500975 
1 1 1    4   21   24 o   42.377   0.8543  1752.49   70.015  1616.87  100.538  1880.20   97.561   40.775   1.2702   43.978   1.1428 -3.203396 1.708624 
1 1 1    4   21   25 o   58.011   0.7907  3271.24   88.868  3298.79  129.976  3247.04  121.781   58.237   1.1497   57.785   1.0857 0.4519157 1.581332 
1 1 1    4   21   26 o   54.370   0.8032  2879.36   84.616  2844.68  123.089  2910.43  116.513   54.054   1.1731   54.686   1.0976 -0.6316643 1.606484 
1 1 1    4   21   27 o   21.635   1.5064  472.021   61.476  398.840   94.090  526.532   81.205   20.093   2.4123   23.176   1.8050 -3.082880 3.012819 
1 1 1    4   21   28 o   61.799   0.8161  3723.59   97.373  3762.80  145.769  3692.00  130.848   62.075   1.2097   61.522   1.0956 0.5533180 1.632126 
1 1 1    4   21   29 o   35.460   1.0583  1246.64   71.555  1178.83  110.403  1295.76   93.963   34.573   1.6450   36.347   1.3318 -1.773415 2.116534 
1 1 1    4   21   30 o   19.144   1.8789  351.817   64.905  551.770  106.961  235.278   81.658   23.386   2.3562   14.901   2.9274 8.484581 3.757825 
1 1 1    4   21   31 o   19.716   1.8102  404.880   67.421  371.937  105.445  427.661   87.688   18.884   2.8766   20.548   2.1984 -1.664232 3.620454 
1 1 1    4   21   32 o   20.967   2.4518  523.787   89.599  361.079  142.361  630.518  115.300   17.260   4.2719   24.674   2.4073 -7.413424 4.903539 
1 1 1    4   22    0 o  139.965   1.2259 19008.86  332.976 18686.96  463.694 19351.59  478.452  138.743   1.7217  141.188   1.7457 -2.445374 2.451889 
1 1 1    4   22    1 o  342.389   1.6773 113414.10  1047.31 112639.50  1276.10 115012.60  1833.07  340.625   1.9299  344.153   2.7439 -3.528259 3.354616 
1 1 1    4   22    2 o  182.908   1.2328 32455.26  421.302 32395.44  528.185 32559.90  698.525  182.681   1.4895  183.135   1.9649 -0.4536438 2.465643 
1 1 1    4   22    3 o  219.505   1.3569 46757.05  557.149 46703.45  699.743 46849.89  920.893  219.341   1.6434  219.670   2.1596 -0.3297272 2.713809 
1 1 1    4   22    4 o   32.232   2.6636  1247.93   49.873  1262.26   50.682  809.689  280.282   36.062   0.7240   28.403   5.2778 7.659042 5.327260 
1 1 1    4   22    5 o  231.193   1.3904 51742.78  601.819 51330.19  755.493 52459.21  995.536  229.944   1.6926  232.442   2.2064 -2.497849 2.780786 
1 1 1    4   22    6 o   66.955   0.7119  4293.70   86.817  4189.00  105.225  4516.94  153.645   65.694   0.8251   68.215   1.1603 -2.521225 1.423782 
1 1 1    4   22    7 o  135.658   1.0966 17770.14  276.177 17544.95  342.556 18188.35  466.819  134.440   1.3126  136.876   1.7569 -2.435425 2.193130 
1 1 1    4   22    8 o  220.932   1.3840 47326.49  572.791 47145.84  720.329 47637.14  944.619  220.369   1.6839  221.495   2.1970 -1.125992 2.768079 
1 1 1    4   22    9 o  305.686   1.3711 90724.63  813.501 90503.56  1142.03 90952.35  1159.08  305.308   1.9270  306.063   1.9509 -0.7546692 2.742133 
1 1 1    4   22   10 o   77.546   0.6929  5835.67  104.281  5904.85  149.392  5769.92  145.630   77.995   0.9867   77.098   0.9731 0.8960953 1.385815 
1 1 1    4   22   11 f  118.384   0.8727 13601.87  200.411 13693.29  289.432 13517.67  277.777  118.766   1.2554  118.002   1.2127 0.7631989 1.745463 
1 1 1    4   22   12 o  226.323   1.1881 49788.10  520.391 49079.04  763.269 50404.00  711.359  224.811   1.7490  227.835   1.6084 -3.023483 2.376160 
1 1 1    4   22   13 o   91.418   0.7596  8115.62  134.758  7994.55  191.842  8233.54  189.334   90.744   1.0891   92.092   1.0591 -1.347076 1.519152 
1 1 1    4   22   14 o  171.202   1.0737 28470.83  356.148 28341.17  519.168 28586.09  489.480  170.831   1.5656  171.573   1.4697 -0.7424316 2.147323 
1 1 1    4   22   15 o  100.779   0.8128  9859.79  158.849  9899.41  230.033  9823.67  219.621  100.971   1.1736  100.586   1.1248 0.3853531 1.625587 
1 1 1    4   22   16 o   46.535   0.6636  2101.37   59.832  2121.53   87.555  2083.71   81.954   46.744   0.9649   46.326   0.9113 0.4175682 1.327246 
1 1 1    4   22   17 o   39.216   1.0283  1499.41   77.441  1455.99  117.548  1532.70  102.936   38.710   1.5643   39.722   1.3350 -1.012737 2.056527 
1 1 1    4   22   18 o   86.631   0.7894  7287.44  132.598  7316.32  192.307  7261.27  183.076   86.793   1.1414   86.469   1.0907 0.3246994 1.578759 
1 1 1    4   22   19 o   92.397   0.8555  8296.50  153.337  8202.45  220.165  8385.10  213.683   91.887   1.2343   92.907   1.1848 -1.020813 1.710961 
1 1 1    4   22   20 o   50.819   0.7297  2508.43   71.708  2508.85  106.157  2508.07   97.249   50.822   1.0761   50.817   0.9858 0.4734039E-02 1.459374 
1 1 1    4   22   21 o   24.949   1.1719  608.336   56.342  577.911   83.678  633.568   76.206   24.372   1.7687   25.526   1.5379 -1.154150 2.343850 
1 1 1    4   22   22 o   62.025   0.7438  3738.76   89.215  3726.00  131.947  3749.52  121.090   61.924   1.0977   62.125   1.0041 -0.2008247 1.487656 
1 1 1    4   22   23 o   39.136   0.8730  1489.38   66.209  1485.50   96.428  1492.85   91.068   39.086   1.2709   39.187   1.1972 -0.1006737 1.745989 
1 1 1    4   22   24 o   51.519   0.7929  2581.72   79.191  2549.23  114.570  2611.44  109.582   51.206   1.1526   51.832   1.0891 -0.6257668 1.585790 
1 1 1    4   22   25 o   28.556   1.1552  806.222   61.943  749.168   99.309  842.554   79.248   27.699   1.8470   29.413   1.3880 -1.714314 2.310377 
1 1 1    4   22   26 o   71.409   0.8171  4968.11  113.184  4843.98  161.654  5087.48  158.523   70.528   1.1808   72.289   1.1297 -1.761139 1.634122 
1 1 1    4   22   27 o   54.609   0.7977  2912.99   84.022  2841.29  125.246  2971.67  113.301   53.982   1.1952   55.235   1.0567 -1.252033 1.595362 
1 1 1    4   22   28 o   48.517   1.0526  2291.85   95.662  2248.69  119.920  2367.39  158.634   47.953   1.2883   49.080   1.6650 -1.126625 2.105237 
1 1 1    4   22   29 f   31.845   1.4064  1001.76   76.446  1022.36  149.523  994.469   88.951   31.884   2.4159   31.806   1.4407 0.7829285E-01 2.812837 
1 1 1    4   22   30 o   24.280   1.4455  600.780   66.342  533.318  102.638  649.190   86.945   22.990   2.2999   25.570   1.7517 -2.580345 2.891001 
1 1 1    4   22   31 o   23.686   1.5433  572.407   69.268  550.003  109.145  587.515   89.631   23.176   2.4260   24.195   1.9084 -1.018894 3.086679 
1 1 1    4   22   32 o   12.039   2.9901  171.336   92.019   77.941  152.281  225.053  115.489   10.402   4.3929   13.675   4.0578 -3.272537 5.980248 
1 1 1    4   23    0 o  357.749   1.7584 124236.60  1220.62 123215.90  1698.41 125326.90  1755.44  356.231   2.4561  359.266   2.5171 -3.035095 3.516864 
1 1 1    4   23    1 o  246.311   1.4122 58864.12  651.645 58763.19  820.047 59037.06  1073.42  246.033   1.7170  246.589   2.2425 -0.5560913 2.824348 
1 1 1    4   23    2 o  256.637   1.4311 63839.82  689.079 63544.27  868.352 64342.48  1132.41  255.845   1.7485  257.429   2.2661 -1.584152 2.862228 
1 1 1    4   23    3 o  200.806   1.3099 39102.39  492.143 38982.01  618.000 39311.08  813.675  200.390   1.5887  201.221   2.0831 -0.8312683 2.619802 
1 1 1    4   23    4 o  393.129   1.7936 150081.91  1319.71 150095.09  1659.30 150059.20  2177.16  393.178   2.1741  393.081   2.8533 0.9713745E-01 3.587157 
1 1 1    4   23    5 f  478.574   1.9351 221685.30  1744.51 219399.50  2208.79 225475.41  2844.18  475.339   2.3938  481.810   3.0410 -6.470978 3.870137 
1 1 1    4   23    6 o  364.540   1.6404 128968.30  1126.57 128755.90  1429.59 129316.40  1829.94  364.163   2.0223  364.917   2.5833 -0.7543640 3.280749 
1 1 1    4   23    7 f  211.799   1.3712 43667.89  545.880 44018.09  691.954 43090.77  888.293  212.935   1.6740  210.663   2.1722 2.271683 2.742425 
1 1 1    4   23    8 f   59.247   0.7095  3344.44   77.531  3214.24   94.885  3606.00  134.488   57.545   0.8494   60.949   1.1367 -3.404396 1.419032 
1 1 1    4   23    9 o  126.077   1.0730 15435.48  251.784 15446.15  314.291 15416.35  420.687  126.142   1.2835  126.012   1.7198 0.1295242 2.145978 
1 1 1    4   23   10 o  265.934   1.3133 68669.70  677.943 68545.82  954.844 68795.64  962.716  265.693   1.8513  266.176   1.8632 -0.4829712 2.626610 
1 1 1    4   23   11 o  134.736   0.9184 17635.98  239.970 17304.13  344.989 17947.06  334.015  133.506   1.3312  135.965   1.2655 -2.459259 1.836742 
1 1 1    4   23   12 o  174.482   1.0906 29560.97  368.493 29582.34  540.372 29542.40  503.804  174.538   1.5949  174.426   1.4879 0.1121674 2.181225 
1 1 1    4   23   13 o  109.472   0.8321 11636.33  176.793 11572.60  251.699 11698.38  248.381  109.175   1.1877  109.768   1.1657 -0.5923691 1.664131 
1 1 1    4   23   14 o   59.628   0.6504  3452.76   75.258  3375.75  106.937  3528.33  105.933   58.969   0.9342   60.287   0.9052 -1.318272 1.300814 
1 1 1    4   23   15 o  128.030   0.9785 15926.67  242.944 15763.78  350.699 16076.96  336.868  127.398   1.4181  128.662   1.3488 -1.263458 1.957099 
1 1 1    4   23   16 o  127.238   0.9844 15716.82  242.798 15899.15  353.606 15554.17  333.972  127.933   1.4239  126.542   1.3596 1.390762 1.968732 
1 1 1    4   23   17 o  137.667   1.0994 18426.36  293.302 18234.72  426.042 18599.02  404.389  136.981   1.6022  138.353   1.5057 -1.371643 2.198718 
1 1 1    4   23   18 f  116.390   0.9143 13161.33  206.391 13137.46  297.857 13183.37  286.250  116.286   1.3195  116.493   1.2658 -0.2075195 1.828521 
1 1 1    4   23   19 o   19.969   1.3251  395.206   50.301  311.888   72.597  472.138   69.760   17.902   2.0891   22.037   1.6307 -4.135658 2.650218 
1 1 1    4   23   20 o  128.271   1.0654 15990.95  264.896 16066.82  385.493 15923.08  364.618  128.554   1.5448  127.988   1.4676 0.5658951 2.130762 
1 1 1    4   23   21 f  137.958   1.1649 18532.34  310.600 18305.91  459.811 18722.38  421.231  137.167   1.7269  138.749   1.5640 -1.581833 2.329830 
1 1 1    4   23   22 o   61.235   0.7601  3637.00   90.053  3717.36  133.536  3569.97  121.959   61.852   1.1122   60.618   1.0365 1.234028 1.520271 
1 1 1    4   23   23 o   21.494   1.4756  468.379   59.100  340.394   87.453  575.959   80.179   18.667   2.4135   24.321   1.6983 -5.654255 2.951114 
1 1 1    4   23   24 o   96.153   0.9266  8994.57  172.927  8963.47  246.638  9024.64  242.525   95.987   1.3237   96.319   1.2971 -0.3314438 1.853277 
1 1 1    4   23   25 o   58.396   0.7885  3317.97   89.078  3316.13  131.525  3319.53  121.075   58.375   1.1607   58.417   1.0677 -0.4169464E-01 1.577070 
1 1 1    4   23   26 o   51.659   0.8176  2597.58   81.772  2618.11  120.244  2579.92  111.532   51.842   1.1949   51.475   1.1162 0.3675766 1.635105 
1 1 1    4   23   27 o   30.311   1.1469  905.904   66.938  835.535   98.665  965.916   91.115   29.192   1.7411   31.429   1.4934 -2.236921 2.293869 
1 1 1    4   23   28 o   30.698   1.1522  907.890   67.916  1061.52  105.956  800.752   88.483   32.850   1.6616   28.546   1.5968 4.304222 2.304487 
1 1 1    4   23   29 o   10.279   2.5573   96.365   63.714  138.427   97.443   64.952   84.209   11.522   3.7759   9.0351   3.4499 2.486952 5.114593 
1 1 1    4   23   30 o   42.047   1.1057  1691.54   83.173  1898.42  154.086  1606.48   98.803   43.662   1.8180   40.432   1.2589 3.229656 2.211303 
1 1 1    4   23   31 f   42.260   0.9748  1756.67   79.600  1853.96  119.530  1679.14  106.703   43.281   1.4227   41.239   1.3329 2.042469 1.949563 
1 1 1    4   23   32 o   14.025   3.0761  237.024   92.465  300.081  141.678  190.239  122.038   15.465   4.4683   12.585   4.2290 2.879541 6.152276 
1 1 1    4   24    0 o  173.739   1.3748 29303.70  463.556 29234.68  648.467 29375.82  662.906  173.531   1.9251  173.948   1.9632 -0.4174652 2.749564 
1 1 1    4   24    1 o  239.792   1.5476 55830.91  720.277 56020.97  1011.22 55635.18  1026.19  240.207   2.1687  239.377   2.2084 0.8299866 3.095208 
1 1 1    4   24    2 o  341.902   1.5819 113120.00  1015.54 112020.10  1279.68 114991.10  1669.04  339.680   1.9407  344.124   2.4985 -4.443695 3.163724 
1 1 1    4   24    3 o  270.328   1.4757 70691.81  747.180 69977.09  938.072 71932.16  1235.76  268.477   1.8000  272.178   2.3389 -3.701477 2.951349 
1 1 1    4   24    4 o  300.749   1.5341 87535.51  865.763 86717.70  1090.04 88932.95  1424.90  298.866   1.8789  302.631   2.4255 -3.765472 3.068124 
1 1 1    4   24    5 o  303.692   1.5470 89137.54  880.132 88001.95  1104.56 91112.48  1456.65  301.070   1.8900  306.315   2.4497 -5.245087 3.094070 
1 1 1    4   24    6 o  410.340   1.7317 163783.00  1358.92 165145.41  1779.36 161876.20  2105.04  412.409   2.2227  408.271   2.6561 4.137878 3.463397 
1 1 1    4   24    7 o   82.209   0.8297  6615.46  126.531  6753.21  158.132  6370.31  210.962   83.410   0.9766   81.008   1.3416 2.402359 1.659411 
1 1 1    4   24    8 o  153.012   1.2038 22709.05  343.270 22654.73  428.879 22805.86  572.613  152.764   1.4463  153.261   1.9247 -0.4972382 2.407531 
1 1 1    4   24    9 o  256.307   1.4921 63539.64  716.183 62843.71  898.784 64750.08  1185.35  254.409   1.8199  258.206   2.3649 -3.796722 2.984123 
1 1 1    4   24   10 o  257.509   1.5119 64349.39  728.648 64209.92  915.576 64590.32  1203.36  257.149   1.8342  257.868   2.4040 -0.7187805 3.023805 
1 1 1    4   24   11 o  156.070   1.0638 23649.94  322.271 23584.73  453.607 23716.41  457.943  155.853   1.4993  156.287   1.5095 -0.4340820 2.127554 
1 1 1    4   24   12 o   35.294   0.8449  1227.97   54.321  1154.82   93.438  1265.32   66.762   34.486   1.3958   36.103   0.9526 -1.616535 1.689887 
1 1 1    4   24   13 o  126.625   0.9191 15575.15  225.667 15412.66  325.765 15725.06  312.905  125.988   1.3320  127.261   1.2666 -1.273003 1.838105 
1 1 1    4   24   14 o   86.601   0.7364  7279.45  123.748  7343.91  177.954  7219.10  172.200   86.972   1.0541   86.230   1.0287 0.7415466 1.472867 
1 1 1    4   24   15 o  114.373   0.9135 12701.72  202.536 12757.80  294.629 12651.47  278.878  114.611   1.3243  114.136   1.2587 0.4749298 1.827055 
1 1 1    4   24   16 o   50.530   0.8892  2477.56   87.167  2549.67  125.884  2411.14  120.818   51.236   1.2657   49.825   1.2492 1.410881 1.778321 
1 1 1    4   24   17 o  104.020   0.8468 10511.75  170.873 10440.74  245.803 10578.16  237.701  103.679   1.2213  104.362   1.1733 -0.6829758 1.693629 
1 1 1    4   24   18 o   49.058   0.6892  2345.09   65.352  2235.81   95.604  2440.95   89.536   47.980   1.0265   50.136   0.9200 -2.155991 1.378420 
1 1 1    4   24   19 o  110.724   0.9555 11920.14  205.245 11639.76  293.171 12189.67  287.435  109.443   1.3800  112.005   1.3220 -2.561043 1.911030 
1 1 1    4   24   20 o   55.796   0.7424  3022.93   80.265  3041.70  117.267  3006.40  110.095   55.957   1.0796   55.634   1.0194 0.3230858 1.484838 
1 1 1    4   24   21 o   81.324   0.9720  6426.58  147.116  6418.45  183.544  6441.17  246.033   81.271   1.1634   81.376   1.5575 -0.1050797 1.944062 
1 1 1    4   24   22 o   79.800   0.8177  6189.11  126.586  6184.54  182.369  6193.35  175.848   79.769   1.1777   79.830   1.1348 -0.6072235E-01 1.635474 
1 1 1    4   24   23 o   62.023   0.7738  3742.64   93.050  3638.53  133.722  3840.38  129.561   61.183   1.1259   62.862   1.0617 -1.679173 1.547574 
1 1 1    4   24   24 o   32.723   0.9843  1033.87   61.137  1081.15   98.234  1003.99   78.108   33.320   1.5188   32.126   1.2525 1.194027 1.968590 
1 1 1    4   24   25 o   51.477   0.8142  2576.70   81.254  2622.43  118.365  2535.95  111.741   51.905   1.1747   51.048   1.1276 0.8573532 1.628374 
1 1 1    4   24   26 f   63.015   0.8026  3876.56   97.938  3703.75  141.513  4035.43  135.682   61.655   1.1824   64.376   1.0858 -2.720886 1.605288 
1 1 1    4   24   27 o   20.461   1.5967  412.681   63.255  427.650   93.445  400.021   85.938   20.793   2.3151   20.128   2.1994 0.6644745 3.193335 
1 1 1    4   24   28 o   19.694   1.7110  380.020   63.875  512.930   97.410  279.757   84.605   22.702   2.2104   16.685   2.6122 6.017900 3.421920 
1 1 1    4   24   29 f   22.904   1.4940  517.227   66.023  593.260   99.842  458.140   88.015   24.383   2.1094   21.425   2.1163 2.957733 2.988031 
1 1 1    4   24   30 o   7.5800   2.2806 -10.3563   64.945 -113.0695  100.553   63.158   85.068   6.2588   2.9841   8.9013   3.4495 -2.642475 4.561111 
1 1 1    4   24   31 o   11.003   2.9483  119.428   86.202  145.179  129.822   99.121  115.284   11.655   4.3190   10.351   4.0144 1.304357 5.896568 
1 1 1    4   25    0 o  243.367   1.5626 57436.65  737.559 55890.18  1017.84 59146.54  1070.26  239.923   2.1855  246.811   2.2339 -6.888412 3.125139 
1 1 1    4   25    1 o  204.484   1.6445 40562.21  638.698 40414.79  821.558 40787.43  1015.45  204.024   2.0744  204.945   2.5525 -0.9209900 3.289097 
1 1 1    4   25    2 o  173.385   1.2445 29104.17  400.675 28909.73  497.789 29461.91  675.220  172.571   1.4860  174.199   1.9968 -1.628220 2.489046 
1 1 1    4   25    3 o  343.106   1.6021 113894.00  1031.61 112719.40  1298.72 115902.40  1698.17  340.734   1.9635  345.477   2.5322 -4.742767 3.204279 
1 1 1    4   25    4 o  305.891   1.5457 90654.52  888.341 90074.06  1121.30 91632.99  1455.81  304.593   1.8964  307.189   2.4414 -2.595673 3.091398 
1 1 1    4   25    5 o  412.221   1.8450 165058.59  1423.52 165164.41  1790.11 164876.59  2347.76  412.431   2.2360  412.010   2.9355 0.4207764 3.690071 
1 1 1    4   25    6 o  215.456   1.3905 45184.33  562.991 45525.42  713.361 44621.04  916.737  216.546   1.6970  214.365   2.2031 2.181396 2.780901 
1 1 1    4   25    7 o   59.725   0.7139  3453.05   78.396  3433.30   96.339  3491.77  134.884   59.474   0.8345   59.976   1.1586 -0.5024261 1.427796 
1 1 1    4   25    8 o  119.535   1.0652 13845.00  233.941 13789.49  287.376 13954.06  402.804  119.185   1.2421  119.885   1.7309 -0.7002411 2.130431 
1 1 1    4   25    9 o  175.641   1.2791 29906.11  419.203 29777.86  524.308 30133.35  697.950  175.131   1.5423  176.152   2.0411 -1.021820 2.558279 
1 1 1    4   25   10 o   82.529   0.8714  6652.67  133.094  6748.89  165.584  6477.03  223.718   83.381   1.0230   81.678   1.4110 1.702400 1.742852 
1 1 1    4   25   11 o   61.721   0.7475  3735.17   85.465  3826.24  106.731  3572.41  142.681   62.782   0.8758   60.660   1.2117 2.122475 1.495067 
1 1 1    4   25   12 f   41.789   0.7452  1693.24   58.535  1686.86   73.988  1703.92   95.702   41.685   0.9144   41.892   1.1768 -0.2074165 1.490305 
1 1 1    4   25   13 o   62.279   0.7487  3786.26   87.684  3851.28  111.499  3680.86  141.951   62.986   0.9119   61.572   1.1877 1.413651 1.497380 
1 1 1    4   25   14 o  126.276   0.9300 15492.16  227.862 15144.74  324.624 15829.59  319.918  124.879   1.3391  127.674   1.2908 -2.794914 1.859991 
1 1 1    4   25   15 o   60.723   0.6440  3581.18   75.879  3529.15  108.323  3631.31  106.323   60.289   0.9256   61.156   0.8956 -0.8670921 1.287951 
1 1 1    4   25   16 o  181.072   1.1457 31846.21  401.810 32087.55  589.130 31636.29  549.434  181.706   1.6702  180.438   1.5686 1.268433 2.291353 
1 1 1    4   25   17 o  119.498   0.9348 13871.29  216.831 13746.73  305.252 13998.15  308.059  118.957   1.3219  120.040   1.3220 -1.082909 1.869553 
1 1 1    4   25   18 o   92.997   0.8367  8398.38  150.931  8472.75  218.178  8330.11  209.014   93.391   1.2035   92.604   1.1627 0.7867203 1.673426 
1 1 1    4   25   19 o   24.877   1.1133  601.692   53.572  600.867   79.100  602.391   72.815   24.859   1.6392   24.894   1.5068 -0.3493118E-01 2.226521 
1 1 1    4   25   20 o  138.016   1.1343 18508.15  303.264 18767.30  444.691 18282.85  414.644  138.911   1.6491  137.121   1.5578 1.789413 2.268553 
1 1 1    4   25   21 o   81.876   0.8151  6513.93  129.474  6536.25  186.328  6493.08  180.041   82.010   1.1704   81.742   1.1346 0.2681122 1.630128 
1 1 1    4   25   22 o   87.294   0.8613  7410.02  145.861  7353.70  209.487  7463.01  203.213   86.969   1.2409   87.618   1.1948 -0.6494675 1.722584 
1 1 1    4   25   23 o   99.420   0.9422  9600.81  181.622  9881.80  264.533  9350.25  249.803  100.791   1.3521   98.049   1.3125 2.742050 1.884316 
1 1 1    4   25   24 o   24.221   1.3140  576.113   61.084  545.785   92.206  599.832   81.544   23.638   2.0095   24.804   1.6936 -1.165539 2.627976 
1 1 1    4   25   25 o   62.065   0.7940  3748.19   95.451  3763.77  139.824  3734.59  130.623   62.181   1.1584   61.950   1.0862 0.2305260 1.588001 
1 1 1    4   25   26 o   27.213   1.2131  756.068   61.337  569.618   93.183  898.619   81.478   24.084   1.9931   30.342   1.3834 -6.257593 2.426167 
1 1 1    4   25   27 o   33.118   1.0397  1076.27   66.419  1046.64   98.878  1100.63   89.658   32.685   1.5584   33.552   1.3766 -0.8668785 2.079371 
1 1 1    4   25   28 f   8.5435   2.3860   48.540   57.894   33.340   92.929   58.182   74.011   8.5170   3.5003   8.5701   3.2433 -0.5311775E-01 4.771958 
1 1 1    4   25   29 o   17.715   1.9799  326.418   65.913  301.160   97.048  348.046   89.804   16.873   3.0763   18.556   2.4931 -1.683479 3.959707 
1 1 1    4   25   30 o   31.862   1.1531  1011.65   70.992  956.665  103.607  1060.31   97.470   31.002   1.7216   32.722   1.5345 -1.719923 2.306221 
1 1 1    4   25   31 o   25.165   1.9176  657.623   89.402  681.844  151.269  644.621  110.830   25.246   3.0867   25.084   2.2762 0.1625462 3.835150 
1 1 1    4   26    0 o   92.918   1.0361  8384.04  186.823  8202.30  265.612  8561.99  262.825   91.920   1.4886   93.915   1.4417 -1.994385 2.072262 
1 1 1    4   26    1 o  355.719   1.8116 122861.60  1250.59 122219.00  1745.52 123539.30  1792.62  354.766   2.5346  356.673   2.5891 -1.907227 3.623257 
1 1 1    4   26    2 o  205.141   1.3283 40701.11  508.702 40296.38  635.822 41420.99  847.969  203.737   1.6077  206.545   2.1149 -2.807953 2.656620 
1 1 1    4   26    3 o  201.089   1.3327 39202.79  500.314 39056.12  626.271 39461.52  831.787  200.577   1.6085  201.600   2.1255 -1.022720 2.665493 
1 1 1    4   26    4 o  161.454   1.2200 25505.30  368.355 26072.68  465.286 24552.56  602.930  163.884   1.4626  159.023   1.9532 4.860382 2.440083 
1 1 1    4   26    5 o  272.877   1.5056 72325.38  772.029 72393.05  976.435 72212.55  1260.96  273.062   1.8421  272.693   2.3821 0.3697815 3.011293 
1 1 1    4   26    6 o  142.313   1.1531 19653.59  304.103 19633.24  377.411 19691.25  513.477  142.213   1.3671  142.413   1.8574 -0.1992950 2.306298 
1 1 1    4   26    7 o  145.019   1.1664 20397.91  313.662 20351.79  389.457 20483.05  529.159  144.792   1.3856  145.246   1.8768 -0.4548187 2.332883 
1 1 1    4   26    8 o  147.930   1.1956 21051.63  328.909 20583.83  407.889 21921.27  556.143  145.609   1.4431  150.251   1.9068 -4.641525 2.391300 
1 1 1    4   26    9 o  198.277   1.3749 38088.54  509.052 37854.52  637.032 38501.98  846.729  197.450   1.6620  199.103   2.1908 -1.653137 2.749892 
1 1 1    4   26   10 o  192.338   1.3549 35760.57  485.772 35334.16  605.723 36529.13  813.195  190.756   1.6358  193.921   2.1603 -3.164886 2.709717 
1 1 1    4   26   11 o   69.368   0.7838  4661.76  100.081  4640.67  123.167  4702.74  171.705   69.140   0.9177   69.595   1.2710 -0.4546814 1.567659 
1 1 1    4   26   12 o  100.648   0.9391  9838.46  177.663  9845.31  224.802  9827.06  289.962  100.700   1.1500  100.596   1.4849 0.1038208 1.878152 
1 1 1    4   26   13 o  133.863   1.0995 17409.56  279.017 17431.59  358.086 17375.54  445.155  133.980   1.3768  133.746   1.7146 0.2343445 2.198996 
1 1 1    4   26   14 o   70.683   0.7972  4783.62  104.870  4622.40  129.865  5085.83  177.797   68.999   0.9696   72.366   1.2657 -3.367432 1.594380 
1 1 1    4   26   15 o   17.373   1.2328  297.349   40.881  266.780   61.794  321.142   54.517   16.566   1.9216   18.181   1.5447 -1.614681 2.465513 
1 1 1    4   26   16 o   63.791   0.8118  3959.64   96.653  3979.47  121.207  3925.01  160.172   64.017   0.9754   63.566   1.2981 0.4509659 1.623678 
1 1 1    4   26   17 o  166.096   1.1890 26796.61  382.264 27115.63  563.636 26524.88  520.182  167.002   1.7387  165.191   1.6222 1.810928 2.377907 
1 1 1    4   26   18 o   57.750   0.6988  3235.77   78.228  3294.49  114.165  3183.79  107.406   58.242   1.0098   57.257   0.9664 0.9853363 1.397675 
1 1 1    4   26   19 o  149.824   1.1959 21816.72  346.959 22021.05  509.774 21640.38  473.573  150.468   1.7453  149.181   1.6353 1.287033 2.391738 
1 1 1    4   26   20 o  113.067   0.9978 12428.04  218.985 12329.52  309.724 12526.52  309.659  112.618   1.4168  113.516   1.4053 -0.8976212 1.995516 
1 1 1    4   26   21 o   58.031   0.7494  3261.92   84.167  3396.58  124.843  3149.71  113.959   59.124   1.0878   56.938   1.0311 2.186028 1.498764 
1 1 1    4   26   22 o   81.330   0.8326  6425.49  131.327  6532.64  190.424  6328.31  181.357   81.974   1.1967   80.686   1.1579 1.288040 1.665165 
1 1 1    4   26   23 o   54.454   0.7970  2891.98   83.971  2717.13  121.256  3053.11  116.398   52.863   1.1816   56.045   1.0699 -3.182091 1.594044 
1 1 1    4   26   24 o   57.109   0.7907  3178.00   87.453  3078.93  126.911  3267.57  120.680   56.256   1.1622   57.963   1.0725 -1.707909 1.581450 
1 1 1    4   26   25 o   17.971   1.7621  322.099   60.319  293.420   92.218  343.543   79.743   17.234   2.7566   18.708   2.1958 -1.474049 3.524253 
1 1 1    4   26   26 o   12.423   2.4291  160.807   60.575  148.247   90.120  171.159   81.813   12.022   3.5884   12.824   3.2749 -0.8019485 4.858137 
1 1 1    4   26   27 o   29.378   1.1567  856.954   64.864  786.028   98.737  910.803   86.033   28.262   1.7998   30.495   1.4534 -2.233564 2.313323 
1 1 1    4   26   28 f   19.281   1.7740  394.707   61.383  282.327   91.386  487.091   82.858   16.406   2.9793   22.156   1.9265 -5.750448 3.547951 
1 1 1    4   26   29 o   35.091   1.0461  1220.02   70.876  1120.06  102.665  1311.03   97.966   33.676   1.5705   36.505   1.3825 -2.829037 2.092293 
1 1 1    4   26   30 o   11.608   2.3133  129.446   69.676 -34.5891  101.759  274.237   95.604   7.3544   3.3271   15.863   3.2149 -8.508162 4.626560 
1 1 1    4   26   31 o   12.020   2.9026  169.131   81.662  130.263  137.946  190.102  101.324   11.270   4.3856   12.771   3.8034 -1.500811 5.805112 
1 1 1    4   27    0 o  206.199   1.4809 41274.27  592.450 41040.01  823.936 41525.04  852.494  205.595   2.0645  206.804   2.1236 -1.209290 2.961715 
1 1 1    4   27    1 o  138.506   1.2637 18623.16  339.751 18503.06  477.417 18746.40  483.604  138.054   1.7815  138.958   1.7928 -0.9046021 2.527443 
1 1 1    4   27    2 o   99.199   1.0041  9562.92  192.551  9671.15  261.539  9434.81  284.526   99.813   1.3498   98.585   1.4868 1.228745 2.008132 
1 1 1    4   27    3 o   86.475   0.8439  7260.67  134.526  7264.59  166.037  7253.18  229.515   86.511   0.9887   86.439   1.3678 0.7135773E-01 1.687760 
1 1 1    4   27    4 o  172.985   1.2775 28949.90  411.384 28694.24  512.420 29413.45  689.992  171.922   1.5354  174.048   2.0423 -2.126190 2.555064 
1 1 1    4   27    5 o  486.829   1.9142 230727.09  1759.22 232524.09  2245.14 227868.91  2831.48  489.331   2.3636  484.328   3.0117 5.002228 3.828427 
1 1 1    4   27    6 o  160.100   1.2256 24736.30  364.931 24374.56  453.417 25401.57  614.896  158.455   1.4741  161.746   1.9584 -3.290802 2.451194 
1 1 1    4   27    7 o  128.448   1.1070 15996.81  264.641 15942.82  329.988 16094.13  443.017  128.150   1.3265  128.746   1.7726 -0.5959625 2.214028 
1 1 1    4   27    8 o  140.774   1.1703 19110.46  303.693 18830.37  373.434 19657.49  521.878  139.270   1.3813  142.279   1.8896 -3.009842 2.340617 
1 1 1    4   27    9 o  261.420   1.5179 66338.26  743.549 66221.65  935.971 66537.75  1224.20  261.134   1.8464  261.706   2.4098 -0.5719299 3.035830 
1 1 1    4   27   10 o   53.379   0.7160  2710.08   70.938  2584.29   87.321  2954.22  121.648   51.596   0.8718   55.163   1.1360 -3.566299 1.432030 
1 1 1    4   27   11 o   58.743   0.7438  3361.31   81.385  3390.29  101.891  3310.24  135.265   59.096   0.8882   58.390   1.1934 0.7062378 1.487642 
1 1 1    4   27   12 o   25.209   1.0592  615.776   50.505  611.110   64.421  623.219   81.355   25.087   1.3229   25.331   1.6545 -0.2443027 2.118309 
1 1 1    4   27   13 o   34.905   0.8154  1176.58   54.112  1152.15   69.469  1214.27   86.289   34.448   1.0389   35.362   1.2571 -0.9136658 1.630786 
1 1 1    4   27   14 o  102.864   0.9787 10256.26  188.884 10194.56  237.951 10361.35  310.570  102.457   1.1964  103.271   1.5492 -0.8144608 1.957425 
1 1 1    4   27   15 o   36.431   0.9506  1290.26   67.114  1380.76   95.187  1200.79   94.641   37.703   1.3006   35.158   1.3867 2.544701 1.901178 
1 1 1    4   27   16 o   67.587   0.8258  4413.60  102.786  4364.77  126.374  4509.03  176.677   67.044   0.9710   68.129   1.3359 -1.084885 1.651538 
1 1 1    4   27   17 o   62.781   0.8281  3809.90   96.725  3763.78  120.307  3894.19  162.659   62.254   0.9955   63.308   1.3236 -1.054760 1.656198 
1 1 1    4   27   18 o   35.416   0.9851  1255.27   64.307  1350.56   81.110  1093.99  105.521   37.288   1.1206   33.545   1.6205 3.742950 1.970212 
1 1 1    4   27   19 o   28.108   0.9984  763.230   54.012  802.729   82.776  733.944   71.276   28.736   1.4839   27.481   1.3361 1.254578 1.996831 
1 1 1    4   27   20 o   23.640   1.2250  551.101   55.240  497.898   83.909  591.795   73.385   22.613   1.9115   24.668   1.5326 -2.054203 2.450039 
1 1 1    4   27   21 o   98.443   0.9303  9421.25  177.755  9445.06  253.457  9398.20  249.359   98.564   1.3247   98.322   1.3065 0.2425690 1.860593 
1 1 1    4   27   22 o   22.757   1.3941  507.039   61.068  486.407   91.466  523.634   82.030   22.331   2.1100   23.184   1.8227 -0.8533859 2.788283 
1 1 1    4   27   23 o   56.015   0.7831  3047.75   84.995  3092.94  124.462  3008.26  116.351   56.401   1.1368   55.629   1.0775 0.7724953 1.566286 
1 1 1    4   27   24 o   21.794   1.4580  461.061   61.367  502.246   92.679  428.906   81.890   22.649   2.1080   20.938   2.0148 1.711060 2.915974 
1 1 1    4   27   25 o   29.006   1.1108  833.159   61.271  756.789   94.140  889.286   80.704   27.816   1.7435   30.197   1.3768 -2.380539 2.221542 
1 1 1    4   27   26 o   45.568   0.8525  2019.72   75.194  2092.35  111.410  1958.95  101.905   46.313   1.2392   44.824   1.1712 1.488552 1.705096 
1 1 1    4   27   27 o   13.226   2.3565  179.855   60.769  237.770   93.075  136.824   80.229   15.007   3.2861   11.446   3.3784 3.560210 4.713016 
1 1 1    4   27   28 f   55.004   0.8136  2946.95   86.372  3084.31  130.473  2839.80  115.237   56.121   1.1976   53.888   1.1016 2.233707 1.627252 
1 1 1    4   27   29 o   13.450   2.4228  189.855   63.726  262.404   99.614  139.594   82.912   15.521   3.4003   11.380   3.4522 4.140732 4.845582 
1 1 1    4   27   30 o   7.6960   2.3650   3.2098   65.999 -16.7378   98.468   19.480   88.931   7.5129   3.3454   7.8791   3.3438 -0.3662128 4.729995 
1 1 1    4   27   31 o   8.3986   2.6519  -7.7444   82.034   32.225  145.680 -26.3036   99.269   9.5281   4.1621   7.2692   3.2875 2.258930 5.303831 
1 1 1    4   28    0 o  165.466   1.3592 26564.68  436.404 25985.36  606.532 27186.50  628.384  163.597   1.9099  167.335   1.9345 -3.737595 2.718480 
1 1 1    4   28    1 o  222.674   1.5425 48143.44  666.725 47883.10  936.705 48410.78  949.201  222.064   2.1730  223.284   2.1900 -1.219482 3.085097 
1 1 1    4   28    2 o   72.979   0.8842  5174.50  125.160  5352.17  175.638  4991.20  178.399   74.253   1.2185   71.705   1.2817 2.548241 1.768475 
1 1 1    4   28    3 o  187.389   1.3216 33951.41  461.606 33592.90  575.672 34597.05  772.542  186.017   1.5942  188.760   2.1084 -2.742477 2.643270 
1 1 1    4   28    4 o  297.864   1.5582 86269.27  874.150 86638.09  1110.46 85668.33  1417.47  298.719   1.9150  297.010   2.4585 1.709259 3.116361 
1 1 1    4   28    5 o  150.059   1.1928 21927.22  333.463 22097.78  417.504 21626.72  554.184  150.874   1.4255  149.245   1.9129 1.628693 2.385650 
1 1 1    4   28    6 o   70.589   0.7810  4808.31  101.298  4749.49  124.198  4925.21  175.077   69.949   0.9147   71.228   1.2662 -1.278984 1.562033 
1 1 1    4   28    7 o   70.614   0.8047  4753.67  103.049  4605.18  124.204  5081.63  184.592   68.878   0.9289   72.349   1.3144 -3.471184 1.609495 
1 1 1    4   28    8 o  175.254   1.2981 29824.41  424.885 29820.19  532.612 29831.79  704.612  175.249   1.5656  175.259   2.0711 -0.9414673E-02 2.596296 
1 1 1    4   28    9 o  111.965   1.0584 12248.94  220.546 12447.04  276.384 11901.67  365.934  113.227   1.2575  110.704   1.7028 2.522476 2.116813 
1 1 1    4   28   10 o   39.175   0.7987  1488.46   57.826  1484.96   71.517  1495.07   98.277   39.111   0.9420   39.240   1.2902 -0.1292496 1.597493 
1 1 1    4   28   11 o   38.098   0.9190  1409.92   67.933  1367.77   96.417  1451.47   95.730   37.532   1.3234   38.664   1.2755 -1.131908 1.838003 
1 1 1    4   28   12 o  112.783   1.0601 12389.29  221.961 12477.09  276.650 12230.65  371.858  113.356   1.2572  112.211   1.7072 1.145515 2.120165 
1 1 1    4   28   13 o   47.491   0.7622  2197.35   67.590  2217.42   84.916  2162.64  111.655   47.790   0.9153   47.191   1.2189 0.5995178 1.524302 
1 1 1    4   28   14 o   84.298   0.8925  6936.62  141.035  7038.91  178.406  6766.17  230.288   85.139   1.0795   83.458   1.4215 1.680901 1.784904 
1 1 1    4   28   15 o   15.978   1.5633  247.681   48.156  242.633   64.151  254.197   72.887   15.794   2.0924   16.162   2.3232 -0.3679943 3.126544 
1 1 1    4   28   16 o  154.644   1.2251 23269.67  360.463 23356.48  466.197 23140.61  568.408  155.027   1.5492  154.260   1.8982 0.7674103 2.450110 
1 1 1    4   28   17 o  113.356   1.0800 12522.11  231.349 12634.38  295.865 12345.45  371.138  114.031   1.3366  112.682   1.6967 1.349075 2.159974 
1 1 1    4   28   18 o   46.353   0.8535  2055.25   74.378  1964.68   93.211  2213.99  123.405   44.974   1.0677   47.732   1.3318 -2.758167 1.706970 
1 1 1    4   28   19 o  129.113   1.3295 16279.79  324.234 16473.26  414.677 15975.43  520.097  130.145   1.6414  128.082   2.0919 2.063339 2.658965 
1 1 1    4   28   20 o   26.177   1.2277  664.588   62.256  630.412   84.796  704.550   91.694   25.451   1.7164   26.904   1.7557 -1.453241 2.455320 
1 1 1    4   28   21 o   59.277   0.8783  3451.11   98.835  3600.12  128.695  3236.86  154.316   60.864   1.0893   57.689   1.3780 3.174652 1.756534 
1 1 1    4   28   22 o   55.065   0.9131  2902.93   95.109  2756.53  120.245  3147.58  155.441   53.250   1.1633   56.880   1.4078 -3.630787 1.826227 
1 1 1    4   28   23 o   20.376   1.7759  405.001   69.847  391.036   93.274  422.830  105.388   19.986   2.4042   20.766   2.6144 -0.7804546 3.551751 
1 1 1    4   28   24 o   29.415   1.2531  849.662   70.859  880.377   94.903  810.968  106.519   30.034   1.6278   28.796   1.9056 1.237854 2.506235 
1 1 1    4   28   25 o   14.315   2.2348  186.644   67.369   54.974   87.258  380.959  106.002   9.0294   3.4952   19.601   2.7859 -10.57190 4.469593 
1 1 1    4   28   26 o   18.717   1.9631  341.683   67.365  239.358   87.561  490.098  105.453   15.198   3.0735   22.237   2.4430 -7.038197 3.926164 
1 1 1    4   28   27 o   12.495   2.5851  163.589   67.476  128.153   92.918  203.128   98.149   11.229   3.6876   13.761   3.6241 -2.532401 5.170287 
1 1 1    4   28   28 o   36.221   1.3855  1281.48   95.114  1406.95  154.791  1205.37  120.559   37.547   2.1238   34.896   1.7798 2.650669 2.770910 
1 1 1    4   28   29 o   19.709   1.8915  396.404   71.937  341.119   98.167  460.527  105.722   18.190   2.7801   21.228   2.5656 -3.037638 3.783016 
1 1 1    4   28   30 o   19.105   2.1337  382.968   78.780  353.421  105.537  420.151  118.390   18.303   2.9703   19.906   3.0639 -1.602442 4.267339 
1 1 1    4   28   31 o   13.495   2.9861  219.623   85.206  233.505  139.021  211.271  107.834   13.678   4.5114   13.312   3.9133 0.3662090 5.972205 
1 1 1    4   29    0 o   93.944   1.0251  8568.65  186.912  8626.64  262.348  8508.88  266.365   94.267   1.4337   93.621   1.4657 0.6460648 2.050277 
1 1 1    4   29    1 f   49.119   0.7900  2346.06   75.182  2493.92  105.718  2194.77  106.939   50.687   1.0744   47.550   1.1586 3.137596 1.580096 
1 1 1    4   29    2 f  135.124   1.2773 17726.20  335.017 17552.13  472.449 17902.26  475.132  134.456   1.8101  135.791   1.8025 -1.334610 2.554526 
1 1 1    4   29    3 o  105.199   1.0792 10718.30  219.372 10492.06  294.983 10998.25  328.136  103.961   1.4617  106.437   1.5882 -2.476295 2.158446 
1 1 1    4   29    4 o  173.259   1.2860 29144.05  414.806 29139.05  517.819 29153.01  692.986  173.247   1.5397  173.271   2.0603 -0.2432251E-01 2.572095 
1 1 1    4   29    5 o  156.839   1.2278 23849.13  357.653 23764.95  444.806 24003.10  601.562  156.456   1.4646  157.221   1.9711 -0.7650452 2.455633 
1 1 1    4   29    6 o  109.465   1.0251 11597.25  207.686 11514.43  257.010 11753.11  352.567  108.908   1.2157  110.022   1.6508 -1.113861 2.050142 
1 1 1    4   29    7 o   70.966   0.7937  4891.62  103.714  4897.21  127.859  4880.88  177.341   71.028   0.9273   70.905   1.2884 0.1228104 1.587465 
1 1 1    4   29    8 o   72.030   0.8075  5005.84  106.605  4944.02  130.370  5130.60  185.199   71.365   0.9411   72.694   1.3124 -1.328438 1.614961 
1 1 1    4   29    9 o   80.367   0.8534  6274.73  126.184  6282.89  155.436  6258.94  216.093   80.448   0.9953   80.286   1.3866 0.1620255 1.706826 
1 1 1    4   29   10 o  271.317   1.5829 71527.98  806.355 71512.52  1018.39 71553.97  1320.19  271.319   1.9336  271.315   2.5067 0.3814697E-02 3.165793 
1 1 1    4   29   11 o   48.991   0.7442  2328.82   68.690  2324.69   87.164  2335.58  111.580   48.935   0.9176   49.046   1.1720 -0.1112480 1.488455 
1 1 1    4   29   12 o   61.754   0.7920  3709.07   90.539  3723.60  112.366  3682.18  152.869   61.930   0.9347   61.577   1.2789 0.3529930 1.584048 
1 1 1    4   29   13 o   82.157   0.8727  6540.19  133.578  6501.70  166.676  6609.28  223.338   81.827   1.0493   82.487   1.3948 -0.6600189 1.745430 
1 1 1    4   29   14 o   95.254   0.9635  8752.67  168.908  8624.82  207.355  9004.80  291.199   94.240   1.1335   96.269   1.5583 -2.028992 1.926906 
1 1 1    4   29   15 o   65.229   0.8273  4123.11   99.839  4101.90  123.552  4163.01  169.481   64.994   0.9793   65.463   1.3337 -0.4691849 1.654624 
1 1 1    4   29   16 o   53.700   0.8032  2778.21   79.715  2728.10   98.233  2874.83  136.411   53.002   0.9548   54.397   1.2919 -1.394405 1.606382 
1 1 1    4   29   17 o   47.307   0.8286  2192.23   73.126  2242.44   92.099  2106.58  120.287   48.052   0.9874   46.562   1.3308 1.490059 1.657109 
1 1 1    4   29   18 o   36.514   0.9520  1304.89   65.287  1333.34   82.966  1258.63  105.802   37.047   1.1537   35.982   1.5148 1.065094 1.904086 
1 1 1    4   29   19 o   46.158   0.9007  2066.12   78.388  2051.87   99.472  2089.49  127.329   45.956   1.1151   46.361   1.4148 -0.4051895 1.801430 
1 1 1    4   29   20 f   54.521   0.8775  2853.15   90.261  2743.01  113.871  3039.31  148.049   53.132   1.1041   55.911   1.3641 -2.779564 1.754909 
1 1 1    4   29   21 o   45.086   0.9530  1983.07   81.298  2004.75  104.253  1949.43  129.865   45.412   1.1826   44.760   1.4947 0.6520844 1.905944 
1 1 1    4   29   22 o   63.712   0.9006  3974.35  109.042  4085.24  141.607  3812.83  170.911   64.825   1.1253   62.599   1.4065 2.226662 1.801269 
1 1 1    4   29   23 o   59.669   0.8983  3444.60  101.592  3373.18  129.664  3558.15  163.490   58.889   1.1343   60.449   1.3933 -1.559891 1.796618 
1 1 1    4   29   24 o   40.104   1.0416  1564.89   79.672  1548.55  103.207  1589.00  125.337   39.863   1.3337   40.345   1.6004 -0.4819031 2.083271 
1 1 1    4   29   25 o   12.573   2.5787  160.644   66.490  137.668   88.851  189.887  100.238   11.655   3.5812   13.492   3.7112 -1.837571 5.157322 
1 1 1    4   29   26 o   8.3262   2.4868   11.658   68.907  -3.1244   93.298   29.399  102.208   7.8133   3.3723   8.8392   3.6558 -1.025952 4.973608 
1 1 1    4   29   27 o   13.794   2.4241  203.906   64.634  199.057   90.618  208.929   92.216   13.627   3.4286   13.961   3.4279 -0.3339825 4.848218 
1 1 1    4   29   28 o   25.634   1.5219  651.601   75.330  604.898  100.410  711.728  113.932   24.610   2.1018   26.659   2.2016 -2.048380 3.043807 
1 1 1    4   29   29 o   14.428   2.5576  230.706   71.525  204.041   97.417  261.891  105.350   13.516   3.6342   15.340   3.5997 -1.824115 5.115232 
1 1 1    4   29   30 o   7.4803   2.4741 -86.0165   89.739 -121.6503  134.161 -57.1645  120.721   7.3271   3.4801   7.6335   3.5175 -0.3064375 4.948126 
1 1 1    4   30    0 o  308.489   1.7556 92357.78  1050.64 90767.18  1455.02 94090.63  1518.69  305.718   2.4518  311.260   2.5135 -5.542053 3.511266 
1 1 1    4   30    1 f  123.697   1.2956 14875.97  310.397 14522.84  451.420 15192.65  427.492  122.301   1.9015  125.093   1.7605 -2.791733 2.591292 
1 1 1    4   30    2 o  117.551   1.1937 13406.43  272.199 13181.08  376.570 13653.02  393.910  116.518   1.6649  118.585   1.7112 -2.066612 2.387490 
1 1 1    4   30    3 o   68.152   0.8799  4508.15  116.280  4491.72  160.659  4526.21  168.512   68.022   1.2167   68.282   1.2713 -0.2601089 1.759738 
1 1 1    4   30    4 o  142.905   1.1921 19894.99  315.158 20050.75  391.247 19607.16  531.852  143.712   1.4025  142.097   1.9281 1.614594 2.384254 
1 1 1    4   30    5 o   96.605   0.9335  9104.43  166.776  9207.92  207.158  8913.82  281.152   97.393   1.0957   95.818   1.5116 1.575005 1.866952 
1 1 1    4   30    6 o   56.690   0.7311  3088.37   75.782  3028.37   92.294  3212.52  132.765   55.855   0.8512   57.525   1.1889 -1.670181 1.462241 
1 1 1    4   30    7 o  171.106   1.3035 28290.46  413.578 27956.60  512.350 28914.87  700.680  169.679   1.5555  172.532   2.0921 -2.852829 2.607016 
1 1 1    4   30    8 o   71.013   0.8015  4879.54  105.245  4842.67  130.075  4949.43  179.093   70.629   0.9487   71.397   1.2922 -0.7682037 1.603098 
1 1 1    4   30    9 o  120.224   1.0886 14017.66  242.058 13974.27  299.585 14099.26  410.817  119.967   1.2865  120.481   1.7566 -0.5146561 2.177263 
1 1 1    4   30   10 o   56.435   1.9611  2820.60   91.010  2793.86   93.030  3416.20  439.073   53.647   0.8933   59.224   3.8192 -5.577354 3.922297 
1 1 1    4   30   11 o   75.459   0.8473  5491.68  118.194  5409.31  145.789  5649.65  201.891   74.643   1.0062   76.274   1.3636 -1.630844 1.694603 
1 1 1    4   30   12 o  126.241   1.1418 15467.00  267.286 15428.50  331.866 15538.08  450.942  126.036   1.3565  126.446   1.8372 -0.4102020 2.283675 
1 1 1    4   30   13 o   78.092   0.8552  5839.11  123.626  5655.20  152.160  6196.28  212.053   76.315   1.0271   79.868   1.3677 -3.553574 1.710475 
1 1 1    4   30   14 o   84.567   0.9028  6942.73  142.393  6932.20  178.131  6961.37  236.993   84.488   1.0861   84.647   1.4423 -0.1591721 1.805527 
1 1 1    4   30   15 o   39.293   0.8030  1503.96   59.979  1521.83   77.593  1477.41   94.543   39.587   1.0097   38.999   1.2488 0.5875206 1.605979 
1 1 1    4   30   16 o   57.363   0.7881  3200.33   84.839  3212.46  107.181  3179.99  138.828   57.515   0.9600   57.212   1.2500 0.3025780 1.576139 
1 1 1    4   30   17 o   66.595   0.8475  4323.03  105.302  4361.95  132.145  4255.32  174.294   67.016   1.0158   66.174   1.3569 0.8417206 1.694963 
1 1 1    4   30   18 o   73.369   0.8974  5218.42  121.674  5190.35  150.375  5271.64  207.062   73.097   1.0598   73.641   1.4485 -0.5436935 1.794778 
1 1 1    4   30   19 o   77.500   0.9247  5854.87  134.755  5905.48  170.961  5771.84  218.973   77.958   1.1297   77.042   1.4642 0.9168625 1.849360 
1 1 1    4   30   20 o   68.050   0.9050  4491.38  115.362  4462.63  145.001  4540.97  190.422   67.767   1.1023   68.332   1.4356 -0.5641556 1.809943 
1 1 1    4   30   21 o   24.535   1.4672  568.287   68.731  462.544   88.789  726.387  108.568   21.777   2.1004   27.293   2.0492 -5.516245 2.934459 
1 1 1    4   30   22 o   24.212   1.5152  579.932   69.993  622.406   93.035  524.542  106.244   25.262   1.8972   23.161   2.3631 2.101601 3.030459 
1 1 1    4   30   23 o   41.246   1.0294  1663.14   81.060  1688.06  105.915  1627.92  125.939   41.636   1.3105   40.856   1.5879 0.7794724 2.058856 
1 1 1    4   30   24 o   44.307   0.9757  1914.48   82.636  1915.55  107.893  1912.95  128.528   44.340   1.2535   44.274   1.4955 0.6612396E-01 1.951373 
1 1 1    4   30   25 o   21.431   1.6534  453.303   68.052  451.753   89.900  455.383  104.145   21.415   2.1626   21.447   2.5015 -0.3255463E-01 3.306742 
1 1 1    4   30   26 o   30.551   1.1885  920.771   69.958  949.948   94.286  885.033  104.349   31.118   1.5609   29.985   1.7928 1.132946 2.377064 
1 1 1    4   30   27 o   23.906   1.5571  566.478   71.834  531.865   95.540  611.492  108.953   23.094   2.1312   24.717   2.2708 -1.623756 3.114225 
1 1 1    4   30   28 o   30.814   1.3194  934.563   78.368  865.872  103.622  1026.35  119.786   29.528   1.8078   32.100   1.9223 -2.572601 2.638871 
1 1 1    4   30   29 o   8.3785   2.4816   21.809   69.938 -26.1410   99.451   68.725   98.372   7.4081   3.3257   9.3489   3.6842 -1.940756 4.963245 
1 1 1    4   30   30 o   11.734   3.0433  143.703   91.531  211.435  139.839   92.935  121.068   13.241   4.5266   10.227   4.0691 3.013546 6.086659 
1 1 1    4   31    0 o  118.883   1.0934 13679.94  241.555 13579.19  300.354 13864.43  406.444  118.270   1.3083  119.496   1.7522 -1.225739 2.186721 
1 1 1    4   31    1 o   40.990   0.8211  1620.96   64.832  1554.90   85.785  1708.95   99.000   40.022   1.1042   41.957   1.2155 -1.935150 1.642178 
1 1 1    4   31    2 o  224.376   1.6129 48851.91  701.946 47831.01  969.974 49974.43  1017.11  221.919   2.2516  226.833   2.3099 -4.913971 3.225771 
1 1 1    4   31    3 o  195.775   1.5302 37227.48  581.414 37413.90  814.877 37034.16  829.814  196.276   2.1388  195.274   2.1891 1.001434 3.060477 
1 1 1    4   31    4 o   82.612   0.8693  6671.13  132.249  6772.83  163.654  6479.72  224.514   83.529   1.0093   81.696   1.4157 1.833160 1.738675 
1 1 1    4   31    5 o  184.806   1.3475 33164.37  464.568 33155.10  581.477 33180.71  772.471  184.785   1.6211  184.827   2.1530 -0.4209900E-01 2.695066 
1 1 1    4   31    6 o   62.559   0.7546  3811.21   86.860  3836.96  107.156  3761.88  148.326   62.870   0.8780   62.248   1.2275 0.6224403 1.509215 
1 1 1    4   31    7 o  165.238   1.2753 26587.19  393.650 26771.25  494.542 26268.90  650.329  166.037   1.5344  164.439   2.0373 1.597824 2.550507 
1 1 1    4   31    8 o  163.096   1.2752 25883.76  387.315 26000.75  484.298 25676.14  645.158  163.627   1.5247  162.566   2.0444 1.060669 2.550386 
1 1 1    4   31    9 o  152.947   1.2620 22618.63  364.300 22289.54  462.214 23158.31  591.910  151.498   1.5717  154.396   1.9749 -2.898193 2.524015 
1 1 1    4   31   10 o   45.138   0.7471  1987.51   63.474  2017.43   80.779  1939.21  102.623   45.586   0.9129   44.690   1.1829 0.8959007 1.494211 
1 1 1    4   31   11 o  101.686   1.0124 10053.38  189.708 10075.92  234.146 10010.33  323.655  101.864   1.1841  101.509   1.6425 0.3548508 2.024870 
1 1 1    4   31   12 o   54.710   0.7670  2878.56   78.277  2808.32   97.406  3006.62  131.526   53.781   0.9330   55.640   1.2177 -1.859264 1.534095 
1 1 1    4   31   13 o   60.083   0.7662  3514.20   86.525  3540.19  109.664  3471.33  140.830   60.382   0.9356   59.784   1.2135 0.5981789 1.532306 
1 1 1    4   31   14 f   71.689   0.8482  4953.92  111.981  4874.41  137.507  5110.46  192.953   70.850   0.9998   72.529   1.3705 -1.679604 1.696428 
1 1 1    4   31   15 o  144.760   1.1946 20410.84  328.263 20555.29  422.959 20192.04  520.558  145.431   1.4982  144.088   1.8611 1.342575 2.389239 
1 1 1    4   31   16 f   78.227   0.8785  5953.65  128.335  5976.44  161.014  5913.94  212.504   78.443   1.0574   78.011   1.4033 0.4320068 1.757085 
1 1 1    4   31   17 o   60.194   0.8319  3505.29   92.751  3471.15  114.814  3569.41  157.365   59.782   0.9894   60.606   1.3376 -0.8232803 1.663746 
1 1 1    4   31   18 o   56.151   0.8120  3050.29   85.752  3011.37  108.240  3115.89  140.527   55.679   1.0014   56.624   1.2785 -0.9441147 1.624017 
1 1 1    4   31   19 o   34.305   1.0390  1116.20   67.434  1027.07   84.908  1268.44  110.973   32.502   1.3458   36.108   1.5832 -3.606079 2.077907 
1 1 1    4   31   20 o   43.937   0.9105  1872.11   77.059  1837.70  102.385  1917.07  117.035   43.478   1.2131   44.397   1.3580 -0.9198532 1.820928 
1 1 1    4   31   21 o   74.479   0.9560  5403.65  133.894  5427.92  169.694  5363.63  217.943   74.721   1.1699   74.237   1.5124 0.4844208 1.912059 
1 1 1    4   31   22 o   17.626   2.1453  329.333   68.146  403.500   89.978  229.559  104.361   20.311   2.2821   14.942   3.6332 5.369576 4.290514 
1 1 1    4   31   23 o   27.792   1.3485  764.889   71.204  808.853   93.316  703.615  110.165   28.784   1.6701   26.800   2.1176 1.984827 2.696939 
1 1 1    4   31   24 o   47.002   0.9664  2151.88   87.113  2135.10  114.458  2174.98  134.299   46.802   1.2598   47.201   1.4657 -0.3994293 1.932762 
1 1 1    4   31   25 o   51.455   0.9313  2560.23   91.567  2452.08  118.330  2721.66  144.564   50.136   1.2158   52.774   1.4111 -2.637993 1.862690 
1 1 1    4   31   26 o   21.689   1.5883  469.375   66.106  559.524   94.808  384.075   92.223   23.765   2.0551   19.613   2.4224 4.152733 3.176693 
1 1 1    4   31   27 o   12.910   2.5877  181.008   67.870  190.480   92.606  170.016   99.757   13.263   3.5334   12.556   3.7817 0.7068739 5.175481 
1 1 1    4   31   28 o   17.251   2.2377  318.780   72.351  344.460   97.373  287.126  108.107   18.321   2.7379   16.182   3.5401 2.139771 4.475322 
1 1 1    4   31   29 o   17.705   2.3500  341.637   77.305  328.432  102.877  358.764  117.163   17.397   3.1628   18.014   3.4765 -0.6166306 4.699986 
1 1 1    4   31   30 o   9.2238   2.8269   25.825   92.746   72.547  142.915  -8.1673  121.902   10.152   4.2697   8.2960   3.7061 1.855537 5.653779 
1 1 1    4   32    0 o  197.453   1.4083 37803.21  530.527 37549.09  688.264 38175.25  832.781  196.647   1.8030  198.260   2.1639 -1.613632 2.816600 
1 1 1    4   32    1 o  215.241   1.7611 45080.99  726.380 44517.86  1116.99 45493.64  956.170  214.059   2.6881  216.423   2.2760 -2.363800 3.522235 
1 1 1    4   32    2 o  246.983   1.6644 59226.30  797.472 58542.57  1105.48 59968.17  1151.52  245.500   2.3197  248.466   2.3875 -2.965546 3.328833 
1 1 1    4   32    3 o   82.357   1.0000  6575.02  159.728  6346.17  220.295  6828.69  231.933   80.849   1.4037   83.866   1.4247 -3.016876 1.999995 
1 1 1    4   32    4 o  114.352   1.0564 12718.82  223.954 12771.92  278.459 12621.56  376.852  114.697   1.2507  114.007   1.7028 0.6900711 2.112780 
1 1 1    4   32    5 o   79.231   0.8393  6059.23  121.837  5989.14  148.961  6200.86  211.761   78.546   0.9770   79.915   1.3651 -1.369186 1.678651 
1 1 1    4   32    6 o  162.402   1.2689 25447.79  381.294 25067.31  470.818 26172.93  649.974  160.666   1.5096  164.137   2.0400 -3.470261 2.537794 
1 1 1    4   32    7 o   57.120   0.7431  3151.94   78.786  3114.95   97.714  3220.68  133.191   56.646   0.8886   57.595   1.1913 -0.9489937 1.486243 
1 1 1    4   32    8 o   65.455   0.7689  4143.47   93.165  4106.79  115.261  4212.62  158.235   65.042   0.9129   65.869   1.2375 -0.8273239 1.537819 
1 1 1    4   32    9 o  100.335   0.9987  9637.22  184.171  9358.39  225.019 10203.07  320.551   98.176   1.1807  102.495   1.6111 -4.318977 1.997461 
1 1 1    4   32   10 o   6.8615   2.0751  -1.9798   48.095   2.5417   61.279  -9.2328   77.611   6.5931   2.7856   7.1299   3.0765 -0.5368104 4.150241 
1 1 1    4   32   11 o   69.137   0.8150  4629.14  104.535  4599.00  129.747  4684.88  176.474   68.823   0.9712   69.452   1.3090 -0.6289902 1.629911 
1 1 1    4   32   12 o   90.459   0.9314  7979.85  156.172  8056.40  194.422  7840.63  262.200   91.083   1.0996   89.835   1.5036 1.248413 1.862757 
1 1 1    4   32   13 o  108.769   1.0620 11495.68  213.494 11496.58  264.235 11494.00  362.332  108.793   1.2512  108.744   1.7165 0.4882050E-01 2.124084 
1 1 1    4   32   14 o  105.563   1.0587 10849.47  208.574 10905.33  261.590 10751.99  345.585  105.954   1.2719  105.172   1.6927 0.7821503 2.117311 
1 1 1    4   32   15 o   92.377   0.9791  8290.67  167.852  8286.75  208.726  8297.86  282.392   92.362   1.1642   92.393   1.5745 -0.3024292E-01 1.958166 
1 1 1    4   32   16 o   64.585   0.8190  4063.99   99.357  4100.13  125.857  4004.20  161.868   64.974   0.9979   64.195   1.2990 0.7790451 1.637988 
1 1 1    4   32   17 o   86.702   0.9634  7314.10  156.424  7336.82  196.981  7275.32  257.372   86.900   1.1677   86.504   1.5327 0.3959732 1.926849 
1 1 1    4   32   18 o   50.543   0.8591  2488.19   80.969  2502.92  101.460  2462.35  134.366   50.759   1.0297   50.328   1.3754 0.4307556 1.718121 
1 1 1    4   32   19 o   77.569   0.9475  5850.94  137.134  5854.33  171.725  5844.98  227.835   77.617   1.1398   77.520   1.5141 0.9774780E-01 1.895099 
1 1 1    4   32   20 o   74.857   0.9554  5444.04  132.934  5429.56  165.536  5470.34  223.075   74.739   1.1410   74.976   1.5327 -0.2362976 1.910784 
1 1 1    4   32   21 o   33.153   1.1389  1067.17   72.394  1050.75   94.869  1090.07  112.016   32.857   1.4874   33.449   1.7252 -0.5928154 2.277854 
1 1 1    4   32   22 o   78.207   0.9795  5984.20  144.020  6073.04  182.979  5839.57  233.480   79.007   1.1931   77.408   1.5538 1.598167 1.959020 
1 1 1    4   32   23 o   58.937   0.9116  3365.88  101.956  3300.35  130.471  3468.66  163.397   58.226   1.1543   59.648   1.4112 -1.422321 1.823164 
1 1 1    4   32   24 o   31.419   1.1583  967.092   70.245  979.376   94.796  952.134  104.611   31.654   1.5427   31.183   1.7282 0.4711514 2.316619 
1 1 1    4   32   25 o   46.192   0.9338  2070.50   82.776  1996.23  108.289  2174.89  128.385   45.222   1.2336   47.163   1.4023 -1.941055 1.867697 
1 1 1    4   32   26 o   32.143   1.2322  1028.41   75.590  1078.28   99.761  961.183  115.831   33.119   1.5517   31.166   1.9146 1.952879 2.464451 
1 1 1    4   32   27 o   21.816   1.6959  474.781   71.445  441.232   95.273  517.889  107.997   20.961   2.3415   22.671   2.4540 -1.710503 3.391886 
1 1 1    4   32   28 o   9.0681   2.6034   51.289   71.272   42.351   95.655   62.443  106.861   8.6782   3.5572   9.4580   3.8024 -0.7798452 5.206897 
1 1 1    4   32   29 o   12.428   2.8088  177.121   77.059  196.182  102.665  152.525  116.621   13.088   3.8100   11.767   4.1280 1.321617 5.617530 
1 1 1    4   32   30 o   16.982   2.9301  356.494   94.927  312.898  153.115  383.713  120.985   15.624   4.6805   18.340   3.5263 -2.716055 5.860195 
1 1 1    4   33    0 o  133.898   1.1585 17390.99  290.744 17340.19  365.997 17477.88  478.662  133.641   1.4108  134.156   1.8380 -0.5147095 2.317068 
1 1 1    4   33    1 o   91.778   1.0531  8178.38  187.622  8194.42  266.294  8162.58  264.391   91.867   1.4933   91.689   1.4855 0.1784897 2.106289 
1 1 1    4   33    2 o  117.547   1.2126 13418.35  276.681 13252.93  391.239 13583.85  391.335  116.822   1.7252  118.272   1.7045 -1.450203 2.425246 
1 1 1    4   33    3 o  135.200   1.3156 17745.24  345.084 17528.36  478.931 17979.42  497.653  134.343   1.8365  136.058   1.8842 -1.715271 2.631189 
1 1 1    4   33    4 o   44.962   0.7244  1932.78   60.461  1864.83   74.609  2062.75  103.189   43.830   0.8769   46.094   1.1532 -2.264503 1.448780 
1 1 1    4   33    5 o  141.183   1.1961 19381.25  312.140 19431.76  386.625 19286.68  528.978  141.462   1.4079  140.904   1.9340 0.5577087 2.392183 
1 1 1    4   33    6 o   49.182   0.7437  2303.36   66.937  2218.69   81.284  2481.76  117.984   47.807   0.8759   50.558   1.2022 -2.750805 1.487422 
1 1 1    4   33    7 o   42.466   0.7614  1779.50   59.873  1852.87   75.102  1651.54   99.179   43.688   0.8856   41.243   1.2388 2.445450 1.522787 
1 1 1    4   33    8 o   64.377   0.7765  3986.35   92.969  3896.79  115.305  4152.73  157.168   63.356   0.9376   65.398   1.2380 -2.042015 1.552984 
1 1 1    4   33    9 o   70.346   0.8285  4823.22  108.188  4867.97  134.904  4742.56  181.105   70.809   0.9815   69.883   1.3350 0.9269562 1.656984 
1 1 1    4   33   10 o   94.536   0.9641  8721.41  168.556  8817.29  209.339  8544.64  284.228   95.289   1.1317   93.784   1.5613 1.505623 1.928300 
1 1 1    4   33   11 o   56.703   0.7708  3100.67   81.866  3042.01  102.584  3203.54  135.853   55.973   0.9441   57.433   1.2185 -1.459629 1.541511 
1 1 1    4   33   12 o   45.779   0.7914  2042.22   67.072  2058.65   83.340  2012.01  113.003   46.045   0.9324   45.513   1.2791 0.5327797 1.582847 
1 1 1    4   33   13 o   80.328   0.8975  6295.73  133.661  6363.64  166.488  6172.61  224.183   80.950   1.0595   79.706   1.4489 1.243492 1.794974 
1 1 1    4   33   14 o   74.709   0.8600  5392.46  119.504  5320.44  148.538  5524.63  201.214   74.015   1.0338   75.403   1.3747 -1.388397 1.720062 
1 1 1    4   33   15 o   56.299   0.8122  3083.88   85.170  3096.82  106.507  3060.94  141.846   56.469   0.9716   56.128   1.3019 0.3412361 1.624488 
1 1 1    4   33   16 o  156.309   1.4937 23778.23  435.414 23756.17  544.720 23817.29  724.620  156.275   1.7956  156.344   2.3876 -0.6831360E-01 2.987478 
1 1 1    4   33   17 o  116.671   1.2287 13275.16  264.864 13350.06  328.185 13135.23  448.560  117.186   1.4427  116.156   1.9894 1.030495 2.457436 
1 1 1    4   33   18 o   20.549   1.5154  398.886   59.104  355.250   74.669  472.094   96.716   19.095   2.0144   22.002   2.2645 -2.906502 3.030789 
1 1 1    4   33   19 o   24.782   1.3584  623.179   62.119  700.008   79.751  504.657   99.054   26.822   1.5317   22.742   2.2437 4.080284 2.716708 
1 1 1    4   33   20 o   28.233   1.4959  769.679   80.849  823.794  126.961  732.765  104.859   29.050   2.2515   27.416   1.9703 1.633524 2.991850 
1 1 1    4   33   21 o   75.808   0.9709  5607.01  137.454  5647.11  172.633  5537.57  227.192   76.206   1.1670   75.409   1.5520 0.7967529 1.941825 
1 1 1    4   33   22 o   15.706   2.2991  250.032   67.572  218.602   90.583  289.467  101.464   14.578   3.2803   16.834   3.2223 -2.256220 4.598206 
1 1 1    4   33   23 o   12.664   2.0583  150.846   65.512  325.461   89.804 -47.7817   95.780   18.168   2.5464   7.1599   3.2345 11.00770 4.116576 
1 1 1    4   33   24 o   49.334   0.9044  2377.22   85.482  2391.71  112.383  2357.34  131.677   49.533   1.1688   49.134   1.3806 0.3991356 1.808891 
1 1 1    4   33   25 o   58.602   0.9281  3375.79  103.591  3456.54  135.034  3260.29  161.490   59.502   1.1691   57.701   1.4418 1.801369 1.856197 
1 1 1    4   33   26 o   15.235   2.3605  248.132   67.466  249.247   89.912  246.696  102.060   15.348   3.1241   15.122   3.5395 0.2264252 4.721017 
1 1 1    4   33   27 o   18.961   2.0429  379.806   71.686  439.674   98.124  311.278  104.981   20.870   2.4221   17.053   3.2906 3.816824 4.085895 
1 1 1    4   33   28 o   25.564   1.5870  667.831   77.947  730.246  106.700  596.400  114.145   26.950   2.0396   24.179   2.4319 2.770823 3.174001 
1 1 1    4   33   29 o   25.732   1.6382  682.234   80.660  700.024  106.545  658.349  123.454   26.255   2.0905   25.208   2.5229 1.046734 3.276448 
1 1 1    4   34    0 o   98.885   0.9659  9466.51  176.795  9403.15  218.832  9585.58  299.999   98.415   1.1455   99.354   1.5555 -0.9390488 1.931754 
1 1 1    4   34    1 o   67.060   0.8991  4366.56  117.026  4427.33  165.427  4305.69  165.574   67.528   1.2620   66.593   1.2808 0.9345016 1.798113 
1 1 1    4   34    2 o   68.443   0.9088  4540.43  120.630  4751.03  175.029  4349.89  166.486   69.952   1.2890   66.934   1.2814 3.018066 1.817507 
1 1 1    4   34    3 o  131.981   1.2979 16902.22  332.336 16401.30  460.625 17446.07  479.958  129.944   1.8261  134.018   1.8449 -4.073822 2.595840 
1 1 1    4   34    4 o   33.620   0.8033  1091.87   49.239  1081.50   59.944  1113.37   86.335   33.377   0.9252   33.862   1.3134 -0.4848328 1.606571 
1 1 1    4   34    5 o  150.845   1.2487 22063.28  348.796 21974.90  432.222 22228.28  590.605  150.429   1.4802  151.260   2.0114 -0.8312073 2.497352 
1 1 1    4   34    6 o   37.367   0.7953  1344.02   55.244  1316.36   68.502  1395.47   93.430   36.823   0.9583   37.911   1.2696 -1.087219 1.590671 
1 1 1    4   34    7 o  227.733   1.5072 50218.93  641.231 49751.46  802.413 51044.99  1066.66  226.307   1.8266  229.159   2.3978 -2.851868 3.014299 
1 1 1    4   34    8 o  104.825   1.0094 10734.39  196.633 10893.50  245.896 10452.20  327.475  105.918   1.1960  103.731   1.6263 2.186790 2.018709 
1 1 1    4   34    9 o   50.992   0.7514  2540.06   71.758  2584.50   90.720  2465.79  117.284   51.595   0.9058   50.390   1.1990 1.204563 1.502713 
1 1 1    4   34   10 o   92.993   0.9554  8307.00  163.916  8109.38  201.338  8695.48  282.286   91.382   1.1350   94.605   1.5371 -3.223274 1.910765 
1 1 1    4   34   11 o   48.810   0.7725  2323.84   70.052  2349.64   87.488  2277.74  116.936   49.193   0.9162   48.427   1.2439 0.7661667 1.544922 
1 1 1    4   34   12 o  101.513   1.0206 10075.71  192.048 10231.81  239.478  9794.39  321.471  102.637   1.2020  100.388   1.6497 2.249290 2.041112 
1 1 1    4   34   13 o   74.947   0.8670  5443.27  119.585  5415.19  147.127  5497.94  205.282   74.673   1.0150   75.222   1.4059 -0.5485992 1.733972 
1 1 1    4   34   14 o   47.102   0.7779  2164.99   68.927  2196.60   87.636  2113.71  111.611   47.560   0.9492   46.645   1.2326 0.9147415 1.555788 
1 1 1    4   34   15 o   84.715   0.9387  6966.66  148.120  6949.13  184.927  6998.04  247.399   84.580   1.1263   84.850   1.5020 -0.2697601 1.877433 
1 1 1    4   34   16 o   49.786   0.8206  2419.88   76.527  2453.95   96.683  2362.71  125.222   50.264   0.9909   49.308   1.3083 0.9563866 1.641166 
1 1 1    4   34   17 o   41.590   0.8974  1680.76   70.480  1679.57   89.798  1682.68  113.740   41.577   1.1126   41.603   1.4084 -0.2553940E-01 1.794845 
1 1 1    4   34   18 o   42.495   0.9008  1756.82   72.039  1761.44   91.365  1749.23  117.123   42.577   1.1055   42.413   1.4226 0.1634674 1.801603 
1 1 1    4   34   19 o   38.950   0.9741  1457.42   71.534  1402.64   90.165  1550.46  117.509   37.983   1.2229   39.916   1.5166 -1.933212 1.948176 
1 1 1    4   34   20 o   9.4800   2.3955   61.234   59.646   3.5347   81.805  126.725   87.154   7.5812   3.2116   11.379   3.5552 -3.797800 4.791042 
1 1 1    4   34   21 o   51.249   0.9210  2532.83   89.502  2452.66  114.056  2661.32  144.391   50.216   1.1701   52.282   1.4227 -2.065998 1.842074 
1 1 1    4   34   22 o   59.525   0.9378  3449.32  105.648  3440.60  135.076  3463.05  169.552   59.452   1.1704   59.597   1.4656 -0.1447411 1.875592 
1 1 1    4   34   23 o   51.632   1.0940  2583.34  108.778  2765.45  166.689  2448.26  143.561   53.189   1.6144   50.075   1.4769 3.114326 2.188056 
1 1 1    4   34   24 o   48.767   0.9665  2336.13   89.390  2387.38  115.468  2259.49  141.217   49.473   1.2023   48.061   1.5137 1.412624 1.933090 
1 1 1    4   34   25 o   35.210   1.1421  1216.78   76.969  1208.45  100.651  1228.51  119.448   35.101   1.4772   35.319   1.7422 -0.2179947 2.284198 
1 1 1    4   34   26 o   24.232   1.5566  591.537   72.294  620.375   96.490  554.632  109.157   24.976   1.9902   23.489   2.3940 1.486500 3.113219 
1 1 1    4   34   27 f   8.0784   2.4741   3.0599   71.046  -6.1743   94.971   14.795  107.060   7.6613   3.3532   8.4955   3.6387 -0.8341684 4.948118 
1 1 1    4   34   28 o   46.301   1.0118  2124.93   90.222  2166.17  120.997  2073.28  135.403   46.866   1.3300   45.736   1.5251 1.129917 2.023580 
1 1 1    4   34   29 f   8.8145   2.7167   6.0049   91.107 -76.8322  136.757   72.108  122.165   7.8498   3.6604   9.7792   4.0156 -1.929423 5.433494 
1 1 1    4   35    0 o  202.026   1.4767 39673.05  567.130 39745.99  731.782 39563.37  897.411  202.279   1.8637  201.772   2.2912 0.5073090 2.953445 
1 1 1    4   35    1 o   52.514   0.8725  2675.89   88.857  2642.24  122.626  2713.09  128.937   52.167   1.2109   52.861   1.2565 -0.6940994 1.745077 
1 1 1    4   35    2 o  169.824   1.4827 28020.94  488.760 28337.60  692.862 27707.28  689.571  170.780   2.0900  168.869   2.1036 1.911179 2.965336 
1 1 1    4   35    3 o   99.195   1.1346  9555.68  218.300  9543.12  302.587  9569.31  315.248   99.129   1.5725   99.262   1.6361 -0.1334915 2.269238 
1 1 1    4   35    4 o  105.730   1.1193 10870.43  229.200 11087.18  315.442 10628.02  333.595  106.850   1.5208  104.609   1.6428 2.240669 2.238681 
1 1 1    4   35    5 f  184.103   1.3737 32865.96  470.817 32713.12  587.141 33141.27  788.001  183.528   1.6481  184.678   2.1981 -1.150040 2.747321 
1 1 1    4   35    6 o   97.263   1.1107  9187.07  209.540  9166.23  290.536  9209.65  302.493   97.150   1.5406   97.377   1.6003 -0.2274017 2.221344 
1 1 1    4   35    7 f  168.955   1.3207 27774.08  415.208 27869.57  518.501 27603.38  693.226  169.387   1.5769  168.523   2.1191 0.8634644 2.641433 
1 1 1    4   35    8 o   66.420   0.8136  4299.97   99.587  4335.52  123.115  4232.69  169.380   66.824   0.9491   66.016   1.3217 0.8076019 1.627208 
1 1 1    4   35    9 o   89.181   0.9452  7683.32  154.813  7597.58  189.780  7853.85  267.653   88.452   1.1053   89.911   1.5335 -1.458237 1.890350 
1 1 1    4   35   10 o  146.396   1.2647 20780.93  341.336 20672.68  420.763 20989.28  583.751  145.871   1.4859  146.920   2.0468 -1.048721 2.529339 
1 1 1    4   35   11 o   76.925   0.8745  5785.53  124.145  5872.25  153.988  5624.51  209.832   77.763   1.0201   76.087   1.4207 1.676208 1.748986 
1 1 1    4   35   12 o   22.292   1.2807  477.954   53.502  463.980   66.933  502.681   89.038   21.850   1.5781   22.734   2.0176 -0.8837986 2.561446 
1 1 1    4   35   13 o   52.952   0.7907  2708.47   77.218  2676.10   95.062  2771.25  132.393   52.495   0.9329   53.408   1.2770 -0.9128113 1.581454 
1 1 1    4   35   14 o   37.297   0.8714  1356.85   61.010  1373.02   77.275  1330.07   99.410   37.598   1.0588   36.996   1.3842 0.6020279 1.742729 
1 1 1    4   35   15 f   69.525   0.8378  4709.38  109.317  4748.66  138.283  4643.93  178.501   69.922   1.0188   69.129   1.3302 0.7928696 1.675526 
1 1 1    4   35   16 o   51.783   0.8295  2588.56   80.277  2544.54  100.323  2666.93  133.849   51.182   1.0098   52.384   1.3163 -1.202000 1.658987 
1 1 1    4   35   17 o   50.629   0.8324  2456.75   78.403  2375.24   97.053  2609.88  133.023   49.446   1.0111   51.813   1.3226 -2.367298 1.664820 
1 1 1    4   35   18 f   77.557   0.9354  5834.65  134.950  5800.16  168.076  5897.24  226.388   77.255   1.1208   77.859   1.4979 -0.6046906 1.870770 
1 1 1    4   35   19 o   76.371   0.9407  5675.33  133.591  5682.97  166.601  5661.57  223.581   76.465   1.1224   76.278   1.5100 0.1876068 1.881451 
1 1 1    4   35   20 o   14.054   2.4052  204.229   64.363  216.562   83.869  186.558  100.389   14.581   3.0606   13.528   3.7111 1.053442 4.810372 
1 1 1    4   35   21 o   70.092   0.9272  4773.82  122.767  4742.85  156.305  4823.69  198.346   69.820   1.1533   70.364   1.4521 -0.5432587 1.854379 
1 1 1    4   35   22 o   66.567   0.9444  4295.41  118.293  4226.34  149.333  4411.77  193.818   65.884   1.1676   67.249   1.4847 -1.364754 1.888845 
1 1 1    4   35   23 o   23.683   1.5432  531.452   69.589  428.918   89.190  690.994  111.256   20.870   2.2016   26.496   2.1631 -5.626017 3.086407 
1 1 1    4   35   24 f   43.918   1.0107  1890.12   83.578  1901.29  106.206  1871.97  135.451   44.131   1.2398   43.705   1.5965 0.4251213 2.021386 
1 1 1    4   35   25 o   35.535   1.1171  1254.57   75.489  1313.56   98.809  1171.86  116.996   36.601   1.3907   34.469   1.7486 2.132099 2.234188 
1 1 1    4   35   26 o   8.4665   2.4977   27.348   68.285   37.266   92.018   15.193  101.870   8.5425   3.4938   8.3904   3.5704 0.1521177 4.995378 
1 1 1    4   35   27 o   18.341   2.1226  355.496   72.997  366.002   97.548  342.125  110.047   18.891   2.6601   17.791   3.3083 1.100275 4.245100 
1 1 1    4   35   28 o   21.819   1.8594  492.854   78.387  492.003  105.975  493.884  116.481   21.865   2.4968   21.772   2.7561 0.9309196E-01 3.718886 
1 1 1    4   35   29 o   30.779   1.7244  1014.73   99.100  754.279  145.291  1241.32  135.518   26.631   2.8105   34.926   1.9988 -8.295206 3.448796 
1 1 1    4   36    0 o   44.024   0.7589  1864.72   57.706  1844.99   67.451  1918.59  111.452   43.596   0.7970   44.452   1.2916 -0.8556404 1.517746 
1 1 1    4   36    1 o  124.458   1.1533 15054.34  267.230 15081.55  333.790 15005.76  445.972  124.626   1.3797  124.290   1.8484 0.3357162 2.306609 
1 1 1    4   36    2 o  104.504   1.1656 10605.20  236.390 10544.86  330.098 10668.72  338.678  104.200   1.6320  104.809   1.6647 -0.6088486 2.331181 
1 1 1    4   36    3 o   98.145   1.1153  9354.15  212.445  9609.20  301.794  9103.63  299.109   99.471   1.5630   96.818   1.5915 2.653160 2.230631 
1 1 1    4   36    4 o  126.953   1.2948 15656.83  319.068 15807.08  451.145 15506.47  451.315  127.563   1.8219  126.343   1.8402 1.219879 2.589528 
1 1 1    4   36    5 f   35.413   0.8503  1238.57   55.740  1291.70   69.918  1145.91   92.331   36.476   0.9875   34.351   1.3847 2.124657 1.700698 
1 1 1    4   36    6 o   99.627   0.9932  9721.28  183.287  9920.46  228.649  9363.19  306.577  101.077   1.1653   98.177   1.6087 2.899651 1.986399 
1 1 1    4   36    7 o   59.462   0.7699  3447.39   85.254  3484.03  106.772  3382.94  141.607   59.904   0.9182   59.021   1.2360 0.8830872 1.539732 
1 1 1    4   36    8 o   42.661   0.7887  1780.14   62.531  1812.95   78.272  1722.27  103.964   43.211   0.9331   42.110   1.2718 1.101097 1.577446 
1 1 1    4   36    9 o  209.668   1.4864 42654.11  582.602 42396.38  730.252 43105.41  966.319  208.852   1.8012  210.484   2.3650 -1.631409 2.972841 
1 1 1    4   36   10 o   76.822   0.8810  5773.19  125.285  5871.27  156.028  5595.17  210.199   77.756   1.0337   75.888   1.4269 1.868034 1.761985 
1 1 1    4   36   11 o  111.138   1.0867 11977.26  221.849 11924.72  272.454 12080.63  382.170  110.798   1.2668  111.478   1.7660 -0.6800156 2.173381 
1 1 1    4   36   12 o   72.181   0.8621  5044.49  114.730  5007.85  141.362  5115.19  196.383   71.808   1.0141   72.554   1.3944 -0.7457275 1.724156 
1 1 1    4   36   13 o   51.731   0.7703  2594.62   75.438  2578.33   96.404  2620.37  121.161   51.526   0.9638   51.936   1.2018 -0.4100685 1.540547 
1 1 1    4   36   14 o  116.571   1.2069 13146.83  259.290 13001.32  319.060 13429.84  444.961  115.660   1.4211  117.481   1.9511 -1.820801 2.413808 
1 1 1    4   36   15 o   82.798   0.9446  6637.96  145.294  6578.40  180.533  6747.46  244.794   82.288   1.1302   83.308   1.5137 -1.019630 1.889108 
1 1 1    4   36   16 o   98.397   1.0463  9469.25  193.378  9637.87  245.543  9193.86  313.800   99.581   1.2702   97.213   1.6629 2.368187 2.092540 
1 1 1    4   36   17 o   64.993   0.8754  4150.28  106.576  4285.50  135.348  3929.62  172.896   66.415   1.0498   63.572   1.4011 2.842609 1.750746 
1 1 1    4   36   18 o   42.586   0.9139  1751.34   73.465  1712.85   93.078  1814.95  119.644   41.978   1.1422   43.193   1.4270 -1.215134 1.827820 
1 1 1    4   36   19 o   36.323   1.0186  1301.67   70.236  1383.13   92.023  1187.99  108.705   37.714   1.2570   34.931   1.6031 2.782345 2.037167 
1 1 1    4   36   20 o   26.661   1.3445  699.668   67.568  720.517   86.569  667.168  108.084   27.192   1.6400   26.131   2.1308 1.061619 2.688903 
1 1 1    4   36   21 o   61.838   0.9106  3720.97  106.249  3710.83  135.152  3737.39  171.914   61.752   1.1275   61.924   1.4302 -0.1716766 1.821142 
1 1 1    4   36   22 o   40.612   0.9943  1598.86   78.016  1511.70  104.380  1709.17  117.433   39.371   1.3658   41.852   1.4455 -2.480648 1.988634 
1 1 1    4   36   23 o   22.236   1.6410  490.514   69.970  504.038   92.814  472.709  106.495   22.625   2.1133   21.847   2.5112 0.7785435 3.282066 
1 1 1    4   36   24 o   20.264   1.7692  406.133   69.297  371.634   92.980  449.239  103.934   19.308   2.4807   21.219   2.5233 -1.910810 3.538483 
1 1 1    4   36   25 o   12.163   2.5974  156.800   68.719  204.903   95.531  105.220   98.924   13.771   3.5509   10.554   3.7917 3.216164 5.194796 
1 1 1    4   36   26 o   12.630   2.3315  167.322   69.391  301.762   95.338   15.867  101.191   16.907   3.0155   8.3534   3.5566 8.553773 4.662905 
1 1 1    4   36   27 o   18.298   2.0083  347.643   71.220  368.969  100.771  326.359  100.670   18.897   2.7471   17.699   2.9302 1.198360 4.016505 
1 1 1    4   36   28 o   12.175   2.7416  170.852   74.610  202.870   98.513  127.784  114.257   13.309   3.6866   11.041   4.0589 2.268023 5.483216 
1 1 1    4   37    0 o  137.033   1.2056 18203.07  310.004 18100.24  390.641 18377.98  509.483  136.523   1.4740  137.542   1.9082 -1.018341 2.411242 
1 1 1    4   37    1 o   19.240   1.2475  352.560   42.607  342.713   50.509  376.853   79.336   18.786   1.3850   19.694   2.0753 -0.9075470 2.494998 
1 1 1    4   37    2 o  150.055   1.4669 21861.94  426.857 21515.50  588.645 22246.15  619.899  148.806   2.0378  151.305   2.1106 -2.499542 2.933825 
1 1 1    4   37    3 o  153.467   1.4048 22890.58  418.267 23063.92  583.011 22706.74  600.409  154.069   1.9494  152.865   2.0234 1.203995 2.809638 
1 1 1    4   37    4 o  147.975   1.4333 21267.85  411.589 20691.26  574.293 21876.79  590.181  145.914   2.0275  150.036   2.0264 -4.122055 2.866567 
1 1 1    4   37    5 f   92.550   0.9560  8288.46  162.906  8223.83  200.402  8414.35  279.710   92.029   1.1218   93.070   1.5482 -1.041367 1.911908 
1 1 1    4   37    6 o   93.725   0.9602  8522.98  165.466  8503.60  203.505  8560.79  284.232   93.579   1.1203   93.871   1.5598 -0.2925491 1.920445 
1 1 1    4   37    7 o   95.631   0.9887  8794.67  172.690  8626.50  210.125  9144.61  303.116   94.250   1.1485   97.013   1.6096 -2.763130 1.977331 
1 1 1    4   37    8 o  100.354   1.0274  9799.77  189.737  9834.14  233.912  9733.64  324.423  100.627   1.1975  100.082   1.6699 0.5451126 2.054889 
1 1 1    4   37    9 o   30.034   0.9358  888.752   52.529  925.919   66.681  827.960   85.280   30.877   1.1125   29.191   1.5050 1.686232 1.871521 
1 1 1    4   37   10 o  160.626   1.3366 25086.46  397.146 25087.63  492.054 25084.28  672.687  160.674   1.5776  160.578   2.1580 0.9622192E-01 2.673209 
1 1 1    4   37   11 o  111.819   1.0965 12126.10  224.937 12071.93  275.874 12233.54  388.526  111.473   1.2749  112.166   1.7844 -0.6934357 2.193054 
1 1 1    4   37   12 f  127.469   1.2082 15789.91  282.778 15771.91  347.411 15825.24  486.771  127.398   1.4048  127.539   1.9661 -0.1414337 2.416444 
1 1 1    4   37   13 o  110.889   1.1070 11959.72  226.805 11973.52  280.700 11933.77  384.947  111.008   1.3026  110.770   1.7903 0.2383575 2.214014 
1 1 1    4   37   14 o   32.869   0.9195  1038.89   58.132  974.279   76.293  1128.32   89.759   31.666   1.2412   34.073   1.3571 -2.407822 1.839058 
1 1 1    4   37   15 o   13.183   2.2230  170.629   56.114  129.901   73.400  227.912   87.049   11.369   3.1939   14.996   3.0930 -3.627643 4.446063 
1 1 1    4   37   16 o   24.750   1.2737  603.636   59.732  633.699   77.660  560.090   93.466   25.523   1.5675   23.977   2.0081 1.545675 2.547478 
1 1 1    4   37   17 o   30.913   1.0943  939.433   63.821  973.622   82.029  886.994  101.590   31.643   1.3354   30.184   1.7338 1.459450 2.188516 
1 1 1    4   37   18 o   64.240   0.8733  4020.99  105.421  4047.43  133.533  3977.24  171.758   64.535   1.0659   63.945   1.3837 0.5898132 1.746661 
1 1 1    4   37   19 o  132.883   1.3405 17265.91  334.973 17412.45  425.072 17025.80  544.117  133.707   1.6377  132.059   2.1226 1.648865 2.680935 
1 1 1    4   37   20 o   14.303   2.2144  209.180   59.821  187.353   83.234  232.501   86.035   13.508   3.2198   15.097   3.0409 -1.588527 4.428766 
1 1 1    4   37   21 o   18.228   2.0766  339.404   70.182  374.121   93.785  295.219  105.803   19.501   2.4775   16.956   3.3334 2.545015 4.153247 
1 1 1    4   37   22 o   42.074   1.0194  1718.62   81.580  1680.92  104.820  1776.53  129.923   41.515   1.3007   42.632   1.5699 -1.117329 2.038750 
1 1 1    4   37   23 o   12.359   2.3816  156.635   64.496  245.254   89.627   61.457   92.884   15.380   3.1090   9.3389   3.6086 6.040788 4.763145 
1 1 1    4   37   24 o   24.650   1.3672  602.443   65.199  630.175   90.031  571.860   94.544   25.270   1.8353   24.030   2.0269 1.240952 2.734332 
1 1 1    4   37   25 o   44.785   0.9537  1972.59   82.308  2002.10  110.467  1935.76  123.407   45.195   1.2592   44.376   1.4326 0.8191223 1.907316 
1 1 1    4   37   26 o   27.237   1.3467  737.965   71.063  716.647   96.995  762.669  104.411   26.829   1.8625   27.645   1.9457 -0.8162937 2.693379 
1 1 1    4   37   27 o   30.876   1.3307  964.293   78.747  1033.36  105.996  879.212  117.642   32.212   1.6951   29.539   2.0516 2.673458 2.661331 
1 1 1    4   37   28 o   10.149   2.7785   97.938   78.044  112.247  102.160   77.884  120.944   10.409   3.8363   9.8888   4.0204 0.5200024 5.557098 
1 1 1    4   38    0 o  142.457   1.2251 19715.18  327.111 19716.04  412.096 19713.71  537.823  142.478   1.4900  142.436   1.9452 0.4202271E-01 2.450256 
1 1 1    4   38    1 o  128.329   1.1758 15939.28  281.126 15792.12  350.535 16204.56  470.636  127.517   1.4161  129.141   1.8774 -1.623863 2.351601 
1 1 1    4   38    2 o   30.503   1.0851  902.393   63.984  1020.63   92.507  793.952   88.593   32.416   1.4701   28.589   1.5964 3.827242 2.170178 
1 1 1    4   38    3 o   76.632   0.9751  5702.93  145.010  5898.96  206.311  5511.52  203.863   77.934   1.3637   75.330   1.3941 2.603958 1.950219 
1 1 1    4   38    4 o  140.458   1.3882 19167.46  378.260 18941.74  524.239 19412.59  546.327  139.599   1.9346  141.318   1.9915 -1.718414 2.776465 
1 1 1    4   38    5 o   80.481   0.8777  6238.20  129.772  6131.54  158.901  6451.81  224.877   79.465   1.0301   81.498   1.4215 -2.033066 1.755476 
1 1 1    4   38    6 o   20.691   1.2707  409.922   48.935  395.213   60.579  437.545   83.016   20.169   1.5473   21.214   2.0159 -1.045170 2.541305 
1 1 1    4   38    7 o   38.956   0.8027  1448.02   58.544  1381.29   72.888  1569.31   98.278   37.716   0.9955   40.196   1.2595 -2.479797 1.605461 
1 1 1    4   38    8 o   62.618   0.7871  3831.43   91.372  3888.69  113.921  3728.17  152.990   63.284   0.9273   61.953   1.2721 1.331211 1.574272 
1 1 1    4   38    9 o   68.831   0.8346  4572.51  105.460  4513.77  129.163  4689.99  182.660   68.179   0.9759   69.482   1.3543 -1.303146 1.669277 
1 1 1    4   38   10 o  172.342   1.4009 28776.63  448.085 28503.13  556.023 29283.30  756.790  171.233   1.6728  173.451   2.2477 -2.217941 2.801829 
1 1 1    4   38   11 f   62.290   0.8051  3760.76   92.463  3742.90  113.993  3795.10  158.091   62.082   0.9459   62.499   1.3031 -0.4161606 1.610200 
1 1 1    4   38   12 o   13.398   2.1701  186.508   53.808  200.920   67.401  161.179   89.352   14.145   2.5485   12.652   3.5132 1.492985 4.340199 
1 1 1    4   38   13 o   29.734   1.0282  839.478   57.447  785.334   71.673  936.759   96.072   28.429   1.2988   31.040   1.5945 -2.610918 2.056479 
1 1 1    4   38   14 o   32.331   0.9668  993.782   58.831  931.117   73.606  1104.63   97.896   30.956   1.2249   33.707   1.4961 -2.751789 1.933618 
1 1 1    4   38   15 o  116.046   1.2129 13124.34  261.011 13172.08  324.632 13037.05  438.970  116.390   1.4369  115.702   1.9545 0.6875992 2.425797 
1 1 1    4   38   16 o   19.457   1.5854  364.596   58.849  345.931   75.662  393.182   93.632   18.842   2.0687   20.073   2.4029 -1.231794 3.170714 
1 1 1    4   38   17 o   35.136   0.9953  1199.04   66.994  1189.56   87.752  1212.29  103.726   34.976   1.2925   35.296   1.5139 -0.3202667 1.990584 
1 1 1    4   38   18 o   65.321   0.8991  4154.35  109.856  4168.04  138.124  4130.78  181.232   65.485   1.0866   65.157   1.4329 0.3275757 1.798281 
1 1 1    4   38   19 o   40.863   0.9573  1649.66   73.754  1740.99   95.247  1512.89  116.557   42.311   1.1597   39.414   1.5234 2.896969 1.914577 
1 1 1    4   38   20 o   14.159   2.4096  202.384   65.573  160.448   87.305  256.654   99.319   12.517   3.4716   15.801   3.3424 -3.283815 4.819115 
1 1 1    4   38   21 o   31.461   1.2118  997.337   71.593  1134.04   94.608  814.150  109.516   34.096   1.4294   28.826   1.9571 5.269686 2.423555 
1 1 1    4   38   22 o   54.203   0.9485  2862.14   96.669  2845.66  122.203  2889.69  158.021   54.032   1.1651   54.373   1.4971 -0.3413467 1.897085 
1 1 1    4   38   23 o   28.930   1.2674  832.522   70.014  888.487   93.090  759.633  106.237   30.102   1.5931   27.759   1.9716 2.343060 2.534773 
1 1 1    4   38   24 o   11.839   2.5021  147.201   64.155  194.167   89.169   96.801   92.372   13.468   3.4079   10.210   3.6645 3.257714 5.004217 
1 1 1    4   38   25 o   25.174   1.4588  641.389   70.103  714.818   94.943  553.371  103.948   26.856   1.8212   23.493   2.2794 3.363771 2.917591 
1 1 1    4   38   26 o   10.172   2.6984   92.922   72.111   73.022   97.511  116.938  107.126   9.4907   3.6889   10.852   3.9392 -1.361723 5.396820 
1 1 1    4   38   27 o   10.372   2.7596  104.059   75.279  109.544   99.885   96.846  114.535   10.420   3.8005   10.325   4.0022 0.9518909E-01 5.519135 
1 1 1    4   38   28 o   23.438   2.0275  583.607   91.788  611.643  137.918  561.316  122.979   23.858   2.9780   23.018   2.7523 0.8396072 4.055056 
1 1 1    4   39    0 o   35.014   0.8561  1175.59   51.111  1159.65   59.264  1221.87  100.979   34.561   0.8834   35.467   1.4667 -0.9059944 1.712186 
1 1 1    4   39    1 o   66.916   0.7931  4369.01   97.338  4412.78  119.778  4283.89  167.033   67.417   0.9153   66.414   1.2956 1.002602 1.586284 
1 1 1    4   39    2 o  102.747   1.1710 10254.59  233.492 10138.17  325.865 10377.42  334.730  102.148   1.6434  103.345   1.6686 -1.196548 2.341967 
1 1 1    4   39    3 o  163.549   1.5105 26008.79  479.542 26276.06  680.736 25745.50  675.641  164.384   2.1333  162.715   2.1391 1.668900 3.021031 
1 1 1    4   39    4 o   46.559   0.8919  2106.69   80.551  2191.57  113.636  2020.96  114.198   47.503   1.2323   45.615   1.2897 1.887867 1.783804 
1 1 1    4   39    5 o   41.797   0.7944  1700.25   60.816  1707.92   74.629  1685.11  104.931   41.941   0.9167   41.652   1.2978 0.2885628 1.588865 
1 1 1    4   39    6 o   58.728   0.7890  3344.05   84.624  3333.50  103.348  3365.50  147.417   58.594   0.9086   58.863   1.2902 -0.2692451 1.578005 
1 1 1    4   39    7 o   92.375   0.9745  8262.25  164.836  8207.48  201.669  8372.46  286.113   91.929   1.1301   92.820   1.5879 -0.8911896 1.949015 
1 1 1    4   39    8 o  100.323   1.0240  9785.20  188.843  9798.79  232.424  9758.78  323.935  100.442   1.1921  100.204   1.6654 0.2386017 2.048033 
1 1 1    4   39    9 o   77.347   0.8859  5797.50  125.513  5768.98  153.671  5854.66  217.540   77.073   1.0271   77.621   1.4438 -0.5479050 1.771841 
1 1 1    4   39   10 f   66.990   0.8217  4328.77  100.945  4267.80  123.470  4451.66  175.301   66.292   0.9595   67.687   1.3342 -1.395210 1.643346 
1 1 1    4   39   11 o   89.029   0.9558  7698.08  156.879  7689.65  193.567  7714.22  267.806   88.974   1.1207   89.084   1.5486 -0.1101151 1.911637 
1 1 1    4   39   12 o   70.951   0.8632  4920.91  113.675  4995.65  141.956  4787.30  189.785   71.718   1.0197   70.185   1.3930 1.532722 1.726326 
1 1 1    4   39   13 o   67.620   0.8411  4431.48  105.190  4406.24  130.105  4479.10  178.745   67.353   0.9951   67.887   1.3564 -0.5334015 1.682264 
1 1 1    4   39   14 o   22.145   4.5317  496.660   74.600  501.249   75.177  201.182  603.295   22.698   1.7062   21.592   8.9015 1.106625 9.063498 
1 1 1    4   39   15 o   18.834   2.0012  351.529   70.044  446.785  102.502  268.084   95.937   21.394   2.4681   16.274   3.1508 5.120661 4.002387 
1 1 1    4   39   16 o   29.674   1.1375  859.721   63.733  868.894   81.433  845.219  102.387   29.889   1.4035   29.459   1.7904 0.4295139 2.274995 
1 1 1    4   39   17 o   28.214   1.2001  740.751   64.180  616.565   80.889  951.794  105.447   25.165   1.6558   31.262   1.7376 -6.096714 2.400237 
1 1 1    4   39   18 o   62.436   0.8765  3768.81  102.285  3709.75  127.882  3873.68  170.414   61.778   1.0664   63.095   1.3914 -1.317299 1.753021 
1 1 1    4   39   19 o   30.243   1.1602  877.915   67.563  778.262   89.042  1013.15  103.727   28.253   1.6235   32.233   1.6578 -3.979769 2.320336 
1 1 1    4   39   20 o   69.795   0.9415  4723.04  121.840  4668.51  150.953  4824.96  206.383   69.259   1.1228   70.331   1.5117 -1.072449 1.883049 
1 1 1    4   39   21 o   36.798   1.0465  1329.22   73.391  1361.02   95.793  1284.03  114.196   37.356   1.3210   36.239   1.6233 1.116745 2.092907 
1 1 1    4   39   22 o   30.468   1.2492  917.627   72.749  955.821   96.103  866.366  111.336   31.248   1.5844   29.688   1.9319 1.559492 2.498486 
1 1 1    4   39   23 o   28.608   1.6779  804.860   93.180  804.860   93.180   0.0000   0.0000   28.608   1.6779  ?   ?       ?      ? 
1 1 1    4   39   24 o   15.209   2.3348  246.818   66.910  232.663   92.193  262.572   97.260   14.739   3.3039   15.679   3.3000 -0.9397345 4.669670 
1 1 1    4   39   25 f   29.908   1.3433  901.204   76.676  967.965  102.148  815.035  116.050   31.272   1.6827   28.544   2.0944 2.728125 2.686649 
1 1 1    4   39   26 o   49.104   1.0251  2395.17   95.849  2451.06  124.920  2315.17  149.459   49.895   1.2898   48.312   1.5937 1.582943 2.050193 
1 1 1    4   39   27 o   9.2331   2.6648   59.433   75.424   66.746  101.745   50.512  112.375   9.2840   3.7181   9.1823   3.8184 0.1017113 5.329561 
1 1 1    4   40    0 o  122.141   1.1480 14464.72  260.654 14388.54  324.393 14603.53  437.861  121.708   1.3731  122.575   1.8402 -0.8671570 2.296014 
1 1 1    4   40    1 o  114.621   1.1110 12759.07  236.596 12744.71  294.551 12785.19  397.207  114.548   1.3247  114.695   1.7841 -0.1471100 2.222075 
1 1 1    4   40    2 o   99.773   1.0058  9653.09  185.711  9613.83  229.956  9726.70  314.904   99.495   1.1906  100.051   1.6214 -0.5565186 2.011607 
1 1 1    4   40    3 o   38.307   0.9372  1425.49   69.507  1427.55   94.959  1423.11  102.013   38.338   1.2760   38.276   1.3730 0.6174850E-01 1.874367 
1 1 1    4   40    4 o  111.332   1.2225 12046.75  264.129 12056.21  369.442 12036.85  377.766  111.379   1.7088  111.286   1.7487 0.9294128E-01 2.444957 
1 1 1    4   40    5 o   18.311   1.6455  375.140   48.535  444.918   59.301  233.566   84.468   21.400   1.4275   15.222   2.9652 6.177660 3.290936 
1 1 1    4   40    6 o   57.395   0.7925  3151.10   82.600  3066.88   99.789  3334.39  147.209   56.201   0.9147   58.588   1.2944 -2.387707 1.584944 
1 1 1    4   40    7 o  115.353   1.1108 12946.19  236.048 12979.95  291.282 12881.61  402.876  115.594   1.2981  115.111   1.8030 0.4836426 2.221674 
1 1 1    4   40    8 o   28.821   1.0388  798.742   54.653  782.903   66.456  831.841   96.068   28.389   1.2059   29.252   1.6919 -0.8621445 2.077638 
1 1 1    4   40    9 f   22.494   1.2033  478.341   49.943  450.551   60.927  535.258   87.195   21.531   1.4577   23.457   1.9149 -1.925951 2.406601 
1 1 1    4   40   10 o   97.633   1.0041  9327.28  181.484  9480.95  226.023  9048.41  304.477   98.792   1.1786   96.474   1.6258 2.317642 2.008107 
1 1 1    4   40   11 o   62.865   0.8174  3837.96   95.614  3834.80  119.263  3843.66  159.963   62.837   0.9777   62.894   1.3102 -0.5665588E-01 1.634836 
1 1 1    4   40   12 o   66.073   0.8336  4237.05  102.402  4226.19  127.556  4256.73  171.742   65.963   0.9962   66.182   1.3368 -0.2190323 1.667161 
1 1 1    4   40   13 o   78.214   0.9195  5898.19  132.537  5798.17  162.846  6094.46  228.108   77.255   1.0859   79.172   1.4842 -1.917397 1.839049 
1 1 1    4   40   14 o   79.729   0.9394  6220.32  139.508  6327.49  175.072  6033.87  230.911   80.695   1.1176   78.763   1.5103 1.932175 1.878856 
1 1 1    4   40   15 o   23.140   1.3559  514.906   59.819  488.428   76.799  555.749   95.385   22.399   1.7663   23.880   2.0577 -1.481083 2.711770 
1 1 1    4   40   16 o   71.340   0.9048  4967.94  120.862  5022.70  152.497  4875.43  198.197   71.889   1.0928   70.792   1.4423 1.096779 1.809515 
1 1 1    4   40   17 o   30.439   1.1184  905.968   64.912  923.926   84.698  880.406  101.052   30.815   1.4159   30.063   1.7316 0.7527962 2.236826 
1 1 1    4   40   18 o   39.101   0.8970  1482.80   67.360  1456.62   88.652  1518.56  103.610   38.700   1.1801   39.502   1.3512 -0.8016586 1.793980 
1 1 1    4   40   19 o   10.195   2.5692   90.305   63.018   96.515   79.555   79.845  103.249   10.156   3.4145   10.234   3.8399 -0.7769489E-01 5.138455 
1 1 1    4   40   20 o   46.201   0.9384  2090.69   81.433  2121.67  103.325  2039.89  132.301   46.680   1.1403   45.721   1.4907 0.9596443 1.876782 
1 1 1    4   40   21 o   43.759   0.9695  1860.57   79.487  1836.28   99.790  1902.73  131.474   43.402   1.1844   44.116   1.5352 -0.7136917 1.939032 
1 1 1    4   40   22 o   7.5197   2.2736  -0.1154   59.404   21.520   84.336 -21.4194   83.688   8.0025   3.3162   7.0370   3.1112 0.9654741 4.547166 
1 1 1    4   40   23 o   8.9979   2.5075   54.338   64.475   64.207   86.825   42.207   96.267   9.1395   3.4999   8.8563   3.5919 0.2831850 5.015067 
1 1 1    4   40   24 o   27.278   1.7885  736.601   94.705  736.601   94.705   0.0000   0.0000   27.278   1.7885  ?   ?       ?      ? 
1 1 1    4   40   25 o   16.031   2.3654  281.444   71.605  314.048   94.694  237.906  109.425   17.472   2.7920   14.590   3.8190 2.881351 4.730768 
1 1 1    4   40   26 o   11.526   2.7965  142.064   74.963  126.272   99.187  163.101  114.477   10.933   3.8085   12.119   4.0958 -1.186032 5.592921 
1 1 1    4   40   27 o   16.793   2.4458  313.669   76.680  269.878  101.573  371.695  116.923   15.405   3.4789   18.182   3.4388 -2.776918 4.891665 
1 1 1    4   41    0 o  121.437   1.1352 14329.56  257.215 14329.28  322.042 14330.05  427.458  121.454   1.3659  121.419   1.8136 0.3547668E-01 2.270458 
1 1 1    4   41    1 o   12.563   2.0067  166.296   43.974  178.908   51.232  131.000   85.702   13.565   1.9456   11.561   3.5104 2.004370 4.013495 
1 1 1    4   41    2 o   46.575   0.7676  2110.03   63.905  2115.47   76.709  2097.70  115.530   46.678   0.8466   46.472   1.2807 0.2065277 1.535202 
1 1 1    4   41    3 o  145.408   1.4380 20557.73  405.352 20472.38  558.484 20652.75  589.262  145.096   1.9828  145.720   2.0832 -0.6234894 2.875985 
1 1 1    4   41    4 o   85.580   1.0583  7115.37  175.750  7080.31  245.204  7152.42  252.034   85.364   1.4797   85.796   1.5133 -0.4314804 2.116545 
1 1 1    4   41    5 o  122.230   1.1782 14674.19  265.553 15030.35  329.943 14019.18  447.448  124.385   1.3665  120.075   1.9197 4.310295 2.356356 
1 1 1    4   41    6 o  131.774   1.2152 16837.89  294.688 16749.46  362.541 17010.09  505.911  131.297   1.4225  132.251   1.9707 -0.9537354 2.430405 
1 1 1    4   41    7 o   80.625   0.8927  6319.25  132.659  6328.52  163.747  6301.54  226.292   80.723   1.0450   80.527   1.4477 0.1959076 1.785414 
1 1 1    4   41    8 o   67.128   0.8334  4360.10  102.383  4326.23  125.148  4428.63  178.030   66.744   0.9659   67.511   1.3585 -0.7665253 1.666884 
1 1 1    4   41    9 o   50.726   0.7993  2517.65   75.627  2567.07   95.136  2432.79  124.655   51.414   0.9532   50.039   1.2833 1.374271 1.598609 
1 1 1    4   41   10 o   89.019   0.9645  7629.04  157.123  7489.89  191.588  7914.86  274.590   87.809   1.1240   90.230   1.5677 -2.421127 1.929019 
1 1 1    4   41   11 o  107.344   1.0906 11103.14  214.933 10902.05  262.969 11507.77  373.037  105.922   1.2790  108.767   1.7668 -2.845306 2.181137 
1 1 1    4   41   12 o   21.662   1.4009  456.112   56.489  454.299   70.453  459.376   94.527   21.611   1.6794   21.713   2.2427 -0.1019459 2.801782 
1 1 1    4   41   13 o   50.797   0.8387  2472.21   79.259  2388.44   98.109  2629.61  134.483   49.584   1.0193   52.010   1.3320 -2.426033 1.677302 
1 1 1    4   41   14 o   31.184   1.0537  930.680   62.421  877.095   79.445  1017.13  100.906   30.035   1.3626   32.333   1.6077 -2.298035 2.107450 
1 1 1    4   41   15 o   38.773   0.9550  1483.42   69.524  1553.65   88.978  1373.32  111.404   39.980   1.1465   37.566   1.5277 2.413269 1.910061 
1 1 1    4   41   16 o   26.197   1.2118  668.242   61.293  667.139   82.488  669.601   91.588   26.178   1.6233   26.217   1.7997 -0.3916359E-01 2.423614 
1 1 1    4   41   17 o   62.153   0.8809  3730.45  102.276  3661.13  127.690  3854.52  170.831   61.370   1.0719   62.936   1.3983 -1.566235 1.761847 
1 1 1    4   41   18 f   38.083   1.0057  1416.15   72.430  1428.43   92.737  1396.95  115.981   38.311   1.2470   37.855   1.5783 0.4554291 2.011489 
1 1 1    4   41   19 o   16.132   2.1878  279.063   63.658  322.461   80.606  207.133  103.772   18.123   2.2912   14.140   3.7277 3.982906 4.375504 
1 1 1    4   41   20 o   40.095   1.1947  1607.86   90.006  1413.07  141.429  1740.45  116.686   37.963   1.9192   42.228   1.4235 -4.264820 2.389452 
1 1 1    4   41   21 o   5.8644   1.9967 -128.2297   64.100 -127.5811   80.891 -129.3243  105.087   5.3108   2.5688   6.4181   3.0574 -1.107277 3.993324 
1 1 1    4   41   22 o   19.041   1.7605  359.402   64.760  314.522   88.042  412.309   95.592   17.740   2.5566   20.342   2.4209 -2.601734 3.520925 
1 1 1    4   41   23 o   20.229   1.6428  410.746   64.340  439.021   90.337  381.639   91.658   20.964   2.2199   19.493   2.4223 1.470665 3.285604 
1 1 1    4   41   24 o   21.036   1.7274  449.714   69.860  476.132   94.463  417.824  103.787   21.789   2.2333   20.283   2.6359 1.505651 3.454858 
1 1 1    4   41   25 o   8.4361   2.5220   18.342   71.511 -13.7425   96.162   58.037  106.962   7.5254   3.3307   9.3468   3.7878 -1.821423 5.043934 
1 1 1    4   41   26 o   24.044   1.7080  591.427   79.094  576.603  104.984  610.886  120.283   23.771   2.2751   24.317   2.5482 -0.5459576 3.416029 
1 1 1    4   41   27 o   11.914   2.8379  103.003   87.867  328.009  146.256 -24.0740  109.913   16.165   4.4969   7.6626   3.4629 8.502481 5.675765 
1 1 1    4   42    0 o  101.233   1.0132  9927.41  190.023  9859.26  235.426 10054.81  321.878  100.751   1.2038  101.715   1.6302 -0.9641342 2.026469 
1 1 1    4   42    1 f   51.586   0.7698  2587.71   70.826  2592.91   84.857  2575.77  128.592   51.677   0.8459   51.494   1.2864 0.1829872 1.539633 
1 1 1    4   42    2 o   37.249   0.8293  1343.60   54.414  1338.15   64.514  1357.04  101.292   37.124   0.8952   37.374   1.3962 -0.2506180 1.658532 
1 1 1    4   42    3 o  127.935   1.3444 15910.82  333.812 15740.75  466.905 16088.65  477.435  127.237   1.8904  128.633   1.9120 -1.395782 2.688769 
1 1 1    4   42    4 o   16.055   1.9689  256.573   59.531  217.254   83.840  296.555   84.544   14.657   3.0461   17.452   2.4956 -2.794653 3.937883 
1 1 1    4   42    5 o   79.204   1.0228  6092.12  157.104  6014.61  216.782  6177.86  228.001   78.675   1.4194   79.733   1.4731 -1.057060 2.045696 
1 1 1    4   42    6 o  157.135   1.3681 24077.79  397.697 24214.52  493.497 23824.51  671.690  157.827   1.6108  156.442   2.2118 1.384369 2.736195 
1 1 1    4   42    7 o   33.265   0.9227  1062.09   56.795  1033.37   69.945  1117.67   97.310   32.617   1.1047   33.912   1.4782 -1.294327 1.845400 
1 1 1    4   42    8 o   14.408   1.9726  183.808   52.783  106.220   65.127  332.317   90.103   10.348   3.0410   18.467   2.5135 -8.118745 3.945265 
1 1 1    4   42    9 o   87.235   0.9566  7392.03  153.992  7385.23  190.211  7404.95  262.336   87.193   1.1238   87.277   1.5484 -0.8351135E-01 1.913267 
1 1 1    4   42   10 o   92.535   1.0012  8335.33  171.391  8364.53  212.556  8281.06  289.773   92.787   1.1801   92.283   1.6176 0.5040817 2.002315 
1 1 1    4   42   11 o   97.922   2.4115  9228.74  220.872  9206.18  227.957  9574.99  892.916   97.338   1.2064   98.506   4.6696 -1.168488 4.822959 
1 1 1    4   42   12 o   40.517   0.8689  1559.20   66.110  1461.55   82.437  1735.17  110.665   38.785   1.0950   42.249   1.3494 -3.463501 1.737739 
1 1 1    4   42   13 o   65.823   0.8849  4224.47  108.309  4257.59  135.292  4165.37  180.738   66.197   1.0529   65.449   1.4226 0.7485733 1.769824 
1 1 1    4   42   14 o   11.290   2.3834  129.675   59.964  177.360   76.269   52.485   97.037   13.193   3.0405   9.3867   3.6712 3.806516 4.766788 
1 1 1    4   42   15 o   59.826   0.8684  3490.42   96.785  3518.43  121.198  3441.12  160.800   60.172   1.0376   59.479   1.3927 0.6933327 1.736735 
1 1 1    4   42   16 o   70.036   0.8967  4721.67  116.746  4605.68  144.656  4938.35  197.716   68.835   1.0826   71.238   1.4298 -2.403358 1.793383 
1 1 1    4   42   17 o   44.645   0.9233  1959.19   77.097  2016.28   97.604  1864.47  125.718   45.536   1.1042   43.755   1.4801 1.780437 1.846651 
1 1 1    4   42   18 o   6.0540   2.0261 -102.8472   63.104 -64.0792   79.622 -168.3292  103.480   6.1365   2.8378   5.9716   2.8926 0.1648946 4.052174 
1 1 1    4   42   19 o   53.466   0.9173  2797.49   91.583  2828.82  115.143  2743.54  151.100   53.906   1.1004   53.026   1.4680 0.8802795 1.834578 
1 1 1    4   42   20 o   8.8350   2.4409   46.083   63.188   85.199   80.141 -18.1930  102.731   9.7250   3.4214   7.9450   3.4822 1.780000 4.881727 
1 1 1    4   42   21 o   26.099   1.3458  687.797   65.794  753.629   85.342  591.334  103.305   27.733   1.5853   24.464   2.1753 3.268957 2.691688 
1 1 1    4   42   22 o   33.848   1.1078  1148.98   71.113  1274.33   94.634  986.378  107.780   36.066   1.3517   31.630   1.7554 4.436125 2.215531 
1 1 1    4   42   23 o   22.614   1.5814  509.088   69.234  467.012   94.112  558.716  102.211   21.599   2.2446   23.630   2.2283 -2.030857 3.162871 
1 1 1    4   42   24 o   9.2790   2.4472   53.538   64.880  138.948   94.757 -21.8442   89.020   11.427   3.7225   7.1308   3.1777 4.296299 4.894315 
1 1 1    4   42   25 o   12.431   2.7421  171.689   72.982  157.392   97.547  189.867  109.996   11.919   3.7667   12.942   3.9859 -1.022531 5.484121 
1 1 1    4   42   26 f   29.075   1.4655  864.137   81.894  910.015  110.460  808.142  122.033   30.043   1.8941   28.106   2.2367 1.937681 2.930948 
1 1 1    4   43    0 o   64.631   0.8231  4061.53   95.209  4068.50  114.372  4045.79  171.828   64.730   0.9102   64.532   1.3717 0.1983414 1.646217 
1 1 1    4   43    1 o   75.339   0.8712  5532.12  119.302  5567.18  145.393  5459.88  208.727   75.716   0.9892   74.962   1.4344 0.7544403 1.742432 
1 1 1    4   43    2 o  103.063   1.0468 10339.23  200.029 10380.81  248.752 10263.14  336.494  103.375   1.2396  102.751   1.6871 0.6243973 2.093510 
1 1 1    4   43    3 f  110.165   1.0953 11850.42  223.950 11985.63  279.353 11607.24  374.649  111.071   1.2956  109.259   1.7665 1.812775 2.190678 
1 1 1    4   43    4 o   20.868   1.5025  424.472   60.643  469.395   86.253  380.556   85.281   21.964   2.0230   19.772   2.2220 2.192453 3.004931 
1 1 1    4   43    5 o   97.571   1.1621  9258.55  220.035  9470.71  309.750  9042.44  312.624   98.702   1.6167   96.440   1.6699 2.262627 2.324278 
1 1 1    4   43    6 o   94.754   0.9949  8667.98  172.990  8553.10  211.772  8898.37  299.898   93.834   1.1626   95.673   1.6148 -1.838104 1.989801 
1 1 1    4   43    7 o   64.674   0.8361  4052.44   99.589  4029.00  122.609  4097.90  170.732   64.409   0.9806   64.939   1.3544 -0.5302887 1.672129 
1 1 1    4   43    8 o   27.191   1.1173  730.120   56.079  757.517   70.020  681.108   93.653   27.921   1.2919   26.461   1.8233 1.460276 2.234565 
1 1 1    4   43    9 o   81.561   0.9151  6430.21  137.957  6354.32  170.265  6575.27  235.387   80.879   1.0845   82.244   1.4744 -1.364960 1.830290 
1 1 1    4   43   10 o   35.821   0.9466  1257.02   63.343  1284.99   79.910  1209.74  103.902   36.368   1.1319   35.273   1.5174 1.094742 1.893113 
1 1 1    4   43   11 o  126.902   1.2231 15730.86  289.502 15892.82  363.299 15449.11  479.187  127.846   1.4639  125.958   1.9598 1.888008 2.446192 
1 1 1    4   43   12 o  104.371   1.0927 10617.72  210.020 10664.08  259.195 10529.10  358.369  104.740   1.2748  104.001   1.7751 0.7390518 2.185448 
1 1 1    4   43   13 o   55.496   0.8583  2993.79   88.986  2994.14  111.612  2993.20  147.424   55.512   1.0358   55.481   1.3689 0.3103638E-01 1.716567 
1 1 1    4   43   14 o   52.165   0.8814  2657.51   85.431  2687.11  106.709  2604.67  142.574   52.585   1.0454   51.745   1.4194 0.8395081 1.762820 
1 1 1    4   43   15 o   20.120   1.7066  406.070   64.028  439.872   82.136  353.711  102.224   21.237   1.9923   19.002   2.7714 2.235777 3.413218 
1 1 1    4   43   16 o   53.063   0.8852  2721.06   88.275  2669.29  111.149  2809.48  145.272   52.398   1.0928   53.728   1.3929 -1.330193 1.770374 
1 1 1    4   43   17 o   17.203   1.9572  283.105   63.883  255.236   80.718  329.822  104.509   16.118   2.5799   18.288   2.9439 -2.170683 3.914396 
1 1 1    4   43   18 o   53.516   0.8982  2754.99   89.847  2665.54  111.939  2916.97  150.633   52.334   1.1019   54.698   1.4187 -2.363686 1.796335 
1 1 1    4   43   19 o   32.097   1.1476  1007.15   68.355  1006.72   85.019  1007.93  114.951   32.122   1.3635   32.072   1.8464 0.5022049E-01 2.295267 
1 1 1    4   43   20 o   19.549   1.7584  380.128   64.055  384.050   80.362  373.294  106.074   19.746   2.0966   19.353   2.8236 0.3933449 3.516895 
1 1 1    4   43   21 o   23.790   1.2943  561.275   59.333  601.049   81.186  515.680   86.926   24.726   1.6915   22.853   1.9595 1.872845 2.588528 
1 1 1    4   43   22 o   20.761   1.6514  423.350   65.896  370.171   86.268  497.839  102.100   19.232   2.3108   22.289   2.3598 -3.056875 3.302750 
1 1 1    4   43   23 o   8.7015   2.5028   38.033   66.153   16.318   87.763   66.602  100.668   7.8955   3.3347   9.5074   3.7332 -1.611855 5.005686 
1 1 1    4   43   24 o   15.380   2.4230  256.726   70.505  216.039   95.196  306.161  104.933   13.978   3.5127   16.783   3.3383 -2.805591 4.845960 
1 1 1    4   43   25 o   18.903   2.0135  381.407   70.520  463.293   99.710  299.452   99.751   21.261   2.4160   16.545   3.2218 4.716263 4.027030 
1 1 1    4   43   26 o   21.947   1.7670  512.860   72.854  382.736  104.785  634.626  101.364   18.966   2.8462   24.929   2.0947 -5.963121 3.533905 
1 1 1    4   44    0 o   90.361   0.9605  7963.22  159.420  8025.82  196.373  7842.20  273.021   90.900   1.1129   89.822   1.5659 1.078697 1.921046 
1 1 1    4   44    1 o   65.217   0.8244  4080.07   95.869  4003.82  114.276  4261.22  176.152   64.211   0.9168   66.222   1.3703 -2.011024 1.648726 
1 1 1    4   44    2 o   71.052   0.8552  4929.89  110.802  4980.08  135.577  4828.94  192.275   71.610   0.9753   70.493   1.4051 1.116913 1.710431 
1 1 1    4   44    3 o   31.536   0.9344  925.290   51.639  875.456   60.343  1061.64   99.813   30.023   1.0354   33.048   1.5559 -3.025116 1.868893 
1 1 1    4   44    4 f   77.385   1.0139  5820.37  152.280  5919.44  215.027  5720.68  215.687   78.046   1.4193   76.723   1.4482 1.323471 2.027747 
1 1 1    4   44    5 o   37.990   0.9928  1402.76   73.164  1338.33  103.077  1468.19  103.868   37.109   1.4309   38.870   1.3766 -1.760567 1.985574 
1 1 1    4   44    6 o  136.457   1.2580 18172.31  317.653 18318.08  394.522 17903.64  535.618  137.281   1.4805  135.633   2.0343 1.647949 2.516003 
1 1 1    4   44    7 o   92.236   1.0016  8216.76  169.760  8110.00  208.129  8428.95  293.423   91.367   1.1735   93.106   1.6235 -1.739281 2.003202 
1 1 1    4   44    8 o   50.037   0.8137  2433.74   75.133  2436.80   92.860  2427.93  127.851   50.090   0.9550   49.984   1.3177 0.1061440 1.627373 
1 1 1    4   44    9 o   27.965   1.0663  753.700   57.152  720.809   74.418  800.991   89.233   27.231   1.4078   28.699   1.6017 -1.468212 2.132506 
1 1 1    4   44   10 o   79.586   1.0771  6154.91  166.335  5928.10  231.748  6395.90  238.880   78.074   1.5291   81.098   1.5174 -3.023239 2.154246 
1 1 1    4   44   11 o   88.520   0.9906  7569.13  160.823  7468.35  196.764  7771.94  279.132   87.664   1.1563   89.376   1.6089 -1.711739 1.981271 
1 1 1    4   44   12 o   36.560   0.9892  1284.41   67.861  1242.13   84.990  1358.79  112.717   35.748   1.2248   37.372   1.5537 -1.624439 1.978416 
1 1 1    4   44   13 o   36.993   1.0036  1345.79   69.245  1386.47   87.371  1277.10  113.550   37.765   1.1918   36.221   1.6150 1.544411 2.007140 
1 1 1    4   44   14 o   41.092   0.9718  1675.39   73.574  1755.03   91.944  1533.61  122.679   42.492   1.1147   39.691   1.5922 2.800793 1.943635 
1 1 1    4   44   15 o   39.545   0.9645  1519.98   71.723  1515.32   90.730  1527.76  117.111   39.476   1.1840   39.613   1.5230 -0.1375999 1.929071 
1 1 1    4   44   16 o   23.754   1.4133  547.164   62.749  536.192   78.396  566.728  104.679   23.446   1.7225   24.063   2.2410 -0.6172047 2.826516 
1 1 1    4   44   17 o   38.963   1.0368  1495.18   75.197  1535.54   94.561  1425.74  124.024   39.712   1.2267   38.214   1.6719 1.497936 2.073646 
1 1 1    4   44   18 o   59.489   0.9018  3498.99  100.589  3658.56  128.424  3245.71  161.799   61.304   1.0792   57.674   1.4452 3.630230 1.803665 
1 1 1    4   44   19 o   7.9437   2.3847   4.8275   61.612  -6.5407   76.807   25.345  103.185   7.0558   3.0525   8.8315   3.6646 -1.775727 4.769377 
1 1 1    4   44   20 o   19.962   1.6328  387.896   62.191  360.076   79.768  431.020   99.312   19.091   2.1524   20.832   2.4558 -1.741131 3.265599 
1 1 1    4   44   21 o   12.356   2.4138  165.181   61.456  204.023   81.843  114.966   93.057   13.906   3.1098   10.807   3.6926 3.099400 4.827643 
1 1 1    4   44   22 o   13.228   2.4465  180.005   64.594  122.090   84.480  261.518  100.224   10.859   3.5132   15.597   3.4057 -4.738149 4.893015 
1 1 1    4   44   23 o   21.677   1.6977  478.155   70.438  496.058   93.395  454.539  107.269   22.232   2.1641   21.121   2.6163 1.110590 3.395345 
1 1 1    4   44   24 o   23.186   1.6732  555.256   73.826  601.404   98.206  495.286  111.951   24.437   2.0702   21.934   2.6293 2.502819 3.346500 
1 1 1    4   44   25 o   15.430   2.4159  274.432   73.822  377.601  101.693  159.501  107.334   18.984   2.7595   11.876   3.9662 7.107780 4.831761 
1 1 1    4   45    0 o   48.123   0.7819  2247.15   65.378  2244.29   76.871  2254.63  124.296   48.076   0.8237   48.171   1.3293 -0.9431839E-01 1.563784 
1 1 1    4   45    1 o   70.180   0.8551  4775.70  107.913  4760.77  129.982  4808.81  193.585   70.016   0.9564   70.344   1.4177 -0.3283310 1.710100 
1 1 1    4   45    2 o   81.125   0.9190  6377.22  135.618  6345.34  164.929  6443.79  238.308   80.827   1.0512   81.422   1.5078 -0.5947266 1.838012 
1 1 1    4   45    3 o   30.533   1.0087  913.917   52.358  922.558   60.958  889.613  102.235   30.820   1.0189   30.246   1.7413 0.5745506 2.017493 
1 1 1    4   45    4 o   80.243   1.0457  6254.43  162.721  6171.12  224.509  6346.63  236.177   79.683   1.4515   80.804   1.5057 -1.120934 2.091380 
1 1 1    4   45    5 o  128.365   1.4539 16050.20  361.820 16289.56  501.288 15789.89  522.769  129.376   1.9960  127.355   2.1146 2.020607 2.907868 
1 1 1    4   45    6 o   71.084   0.8709  4855.11  112.863  4754.75  137.031  5066.77  199.007   69.967   1.0089   72.200   1.4199 -2.233818 1.741873 
1 1 1    4   45    7 o   59.204   0.8286  3408.65   90.555  3415.86  111.979  3395.03  153.940   59.304   0.9727   59.104   1.3418 0.1997795 1.657256 
1 1 1    4   45    8 o   22.514   1.3569  513.428   55.461  558.450   69.162  432.325   92.828   23.966   1.4866   21.063   2.2704 2.903505 2.713799 
1 1 1    4   45    9 o   35.697   0.9525  1264.67   63.240  1338.92   80.175  1142.42  102.881   37.122   1.1126   34.272   1.5464 2.849129 1.905075 
1 1 1    4   45   10 o   10.203   2.4673   92.306   57.375   86.978   72.554  101.199   93.737   9.7222   3.2608   10.685   3.7036 -0.9625072 4.934505 
1 1 1    4   45   11 o   37.354   0.9581  1344.28   67.463  1306.72   85.166  1407.54  110.530   36.667   1.1965   38.040   1.4968 -1.373417 1.916296 
1 1 1    4   45   12 o   73.285   0.9282  5287.42  126.738  5465.98  159.847  4985.13  207.978   74.993   1.0980   71.577   1.4969 3.416412 1.856416 
1 1 1    4   45   13 o   51.231   0.8747  2547.89   83.548  2537.66  104.405  2566.12  139.316   51.100   1.0525   51.361   1.3973 -0.2611046 1.749378 
1 1 1    4   45   14 o   7.4331   2.2803 -28.4154   60.394 -63.6794   76.532   29.792   98.326   6.0027   2.7781   8.8635   3.6167 -2.860846 4.560567 
1 1 1    4   45   15 o   36.602   0.9811  1290.18   68.427  1235.01   87.863  1375.21  109.085   35.627   1.2705   37.577   1.4955 -1.949810 1.962288 
1 1 1    4   45   16 o   29.347   1.1853  824.987   66.099  769.253   84.063  915.258  106.983   28.086   1.5419   30.609   1.8005 -2.523300 2.370512 
1 1 1    4   45   17 o   40.778   0.9857  1638.56   74.724  1684.11   93.841  1559.63  123.524   41.589   1.1624   39.967   1.5922 1.622135 1.971324 
1 1 1    4   45   18 o   14.883   2.2894  235.965   63.071  262.211   78.692  188.821  105.468   16.289   2.4886   13.477   3.8435 2.812810 4.578851 
1 1 1    4   45   19 o   23.386   1.4663  528.839   64.240  502.755   80.038  576.067  107.696   22.630   1.8220   24.143   2.2980 -1.512928 2.932656 
1 1 1    4   45   20 o   17.654   1.7167  313.731   58.161  339.436   78.874  283.099   86.104   18.496   2.1968   16.811   2.6385 1.685276 3.433302 
1 1 1    4   45   21 o   28.422   1.2665  820.509   67.691  919.249   89.159  686.150  104.006   30.574   1.5023   26.270   2.0395 4.303431 2.533095 
1 1 1    4   45   22 o   10.352   2.4509   98.682   62.059   36.445   86.188  165.688   89.430   8.3173   3.3891   12.387   3.5415 -4.070031 4.901831 
1 1 1    4   45   23 o   14.865   2.3024  254.320   68.459  364.267   92.060  118.305  102.394   18.901   2.5091   10.828   3.8611 8.072699 4.604755 
1 1 1    4   45   24 o   27.390   1.4777  762.145   77.415  784.916  102.206  731.499  118.570   27.975   1.8821   26.805   2.2787 1.169474 2.955459 
1 1 1    4   45   25 o   9.3416   2.6326   58.049   77.299  128.574  104.963 -25.5280  114.263   10.870   3.9057   7.8131   3.5309 3.057000 5.265132 
1 1 1    4   46    0 o   34.560   0.9513  1193.26   54.964  1226.81   63.770  1096.30  108.400   35.543   0.9243   33.578   1.6631 1.964825 1.902660 
1 1 1    4   46    1 o   91.254   0.9851  8098.60  164.805  8110.41  202.278  8075.27  284.234   91.373   1.1404   91.136   1.6066 0.2367783 1.970250 
1 1 1    4   46    2 f   56.049   0.7750  3064.50   79.755  3091.90   98.226  3011.50  136.630   56.426   0.8968   55.673   1.2643 0.7532845 1.550029 
1 1 1    4   46    3 o   24.308   1.1348  552.489   48.604  524.383   57.042  626.962   92.855   23.231   1.2649   25.385   1.8844 -2.153824 2.269543 
1 1 1    4   46    4 o   29.190   1.1930  824.471   67.347  782.846   90.645  875.762  100.620   28.373   1.6458   30.007   1.7274 -1.633688 2.385917 
1 1 1    4   46    5 o   99.941   1.1944  9715.36  231.699  9877.17  327.647  9553.51  327.699  100.775   1.6749   99.107   1.7034 1.668350 2.388864 
1 1 1    4   46    6 o  101.234   1.0467  9931.63  194.930  9864.33  239.648 10063.21  335.105  100.755   1.2253  101.713   1.6972 -0.9572830 2.093308 
1 1 1    4   46    7 o   69.999   0.8780  4840.68  113.548  5035.64  142.019  4495.22  189.048   71.999   1.0161   67.998   1.4322 4.000916 1.756063 
1 1 1    4   46    8 o   15.417   1.9833  231.402   56.513  215.716   71.273  257.961   92.742   14.868   2.4696   15.966   3.1041 -1.098870 3.966636 
1 1 1    4   46    9 o   7.8898   2.0854   10.566   55.108   99.882   68.252 -156.7206   93.408   10.125   3.1433   5.6546   2.7413 4.470311 4.170731 
1 1 1    4   46   10 o   19.977   1.7769  390.185   68.816  375.485   98.560  404.169   96.126   19.605   2.5898   20.348   2.4337 -0.7427540 3.553833 
1 1 1    4   46   11 o   45.599   0.9137  2006.85   76.908  1974.16   94.693  2070.20  131.829   45.070   1.0823   46.127   1.4723 -1.057358 1.827308 
1 1 1    4   46   12 o   50.665   0.8742  2502.37   82.937  2521.22  104.559  2470.38  136.197   50.935   1.0575   50.395   1.3922 0.5394402 1.748323 
1 1 1    4   46   13 o   20.624   1.6841  444.968   62.459  523.978   79.773  319.803  100.405   23.189   1.7722   18.058   2.8642 5.130291 3.368168 
1 1 1    4   46   14 o   38.897   0.9731  1495.25   71.000  1569.08   90.797  1379.06  113.908   40.167   1.1645   37.627   1.5595 2.540192 1.946293 
1 1 1    4   46   15 f   37.775   1.0230  1387.34   71.862  1379.68   89.478  1401.27  120.613   37.650   1.2243   37.901   1.6394 -0.2511749 2.046094 
1 1 1    4   46   16 o   30.913   1.1925  927.874   68.284  915.176   84.470  951.821  116.001   30.638   1.4203   31.188   1.9160 -0.5502586 2.385038 
1 1 1    4   46   17 o   14.931   2.1845  269.147   63.817  387.156   80.698   72.137  104.268   19.854   2.0938   10.007   3.8345 9.847487 4.368965 
1 1 1    4   46   18 o   46.620   0.9336  2132.71   80.448  2159.23   99.917  2083.83  135.647   47.075   1.0934   46.165   1.5137 0.9105225 1.867287 
1 1 1    4   46   19 o   11.230   2.4381  132.012   59.957  163.446   76.408   81.643   96.722   12.492   3.1512   9.9680   3.7212 2.524275 4.876208 
1 1 1    4   46   20 o   24.470   1.3126  588.058   61.852  564.420   81.776  619.660   94.553   23.921   1.7611   25.020   1.9468 -1.098843 2.625181 
1 1 1    4   46   21 o   17.905   1.8735  315.858   64.116  274.755   82.364  379.073  102.143   16.488   2.5734   19.321   2.7234 -2.832853 3.746899 
1 1 1    4   46   22 o   11.499   2.5032  129.739   63.034   76.220   81.753  208.199   98.985   9.2526   3.4277   13.745   3.6489 -4.492766 5.006308 
1 1 1    4   46   23 o   27.867   1.3306  775.997   71.417  768.942   95.109  785.118  108.140   27.773   1.7642   27.962   1.9923 -0.1891212 2.661119 
1 1 1    4   46   24 o   13.367   2.6845  205.399   72.558  203.102   96.677  208.362  109.796   13.344   3.6341   13.390   3.9523 -0.4661274E-01 5.369082 
1 1 1    4   46   25 o   8.3374   2.5285 -12.9800   77.740 -100.9303  103.307  101.854  118.044   6.3858   3.0391   10.289   4.0418 -3.903111 5.056911 
1 1 1    4   47    0 o   38.995   0.8077  1468.91   56.564  1455.44   67.956  1499.28  102.058   38.713   0.9043   39.278   1.3385 -0.5650635 1.615381 
1 1 1    4   47    1 o   72.493   0.8732  5082.83  114.653  5041.66  138.790  5171.28  203.452   72.047   0.9924   72.939   1.4369 -0.8920670 1.746308 
1 1 1    4   47    2 o   26.192   1.2832  687.612   62.443  750.179   79.904  589.463  100.079   27.779   1.4818   24.605   2.0954 3.174374 2.566365 
1 1 1    4   47    3 o   70.818   0.8573  4856.60  109.903  4827.89  133.037  4918.32  195.036   70.503   0.9721   71.133   1.4125 -0.6295319 1.714642 
1 1 1    4   47    4 o   20.638   1.3993  407.611   51.063  398.005   60.430  431.594   95.486   20.232   1.5387   21.043   2.3375 -0.8116131 2.798507 
1 1 1    4   47    5 o   27.144   1.3355  716.922   70.166  645.656   97.822  792.442  100.700   25.753   1.9568   28.536   1.8179 -2.783514 2.670915 
1 1 1    4   47    6 o   68.707   0.8769  4601.59  110.236  4629.38  135.193  4546.46  190.421   69.033   1.0089   68.381   1.4345 0.6514511 1.753777 
1 1 1    4   47    7 o   66.274   0.8707  4273.37  106.516  4282.95  131.726  4255.27  181.047   66.396   1.0220   66.152   1.4099 0.2438354 1.741348 
1 1 1    4   47    8 o   33.272   1.0080  1091.46   62.250  1130.68   78.191  1023.57  102.871   34.109   1.1809   32.435   1.6339 1.674843 2.015961 
1 1 1    4   47    9 o   31.481   1.1106  984.054   64.211  1029.84   79.950  900.844  107.774   32.548   1.2654   30.415   1.8254 2.132956 2.221138 
1 1 1    4   47   10 o   15.576   2.0929  234.470   59.228  202.180   73.772  293.028   99.346   14.129   2.7887   17.022   3.1216 -2.892874 4.185818 
1 1 1    4   47   11 o   30.893   1.0691  892.308   61.939  798.676   76.647  1068.53  105.150   28.655   1.3779   33.130   1.6350 -4.474817 2.138227 
1 1 1    4   47   12 o   23.830   1.4339  554.423   63.817  555.488   80.059  552.567  105.691   23.879   1.7272   23.782   2.2894 0.9640121E-01 2.867826 
1 1 1    4   47   13 o   6.0124   2.0227 -111.6991   62.881 -117.5327   81.358 -103.0445   99.096   5.4911   2.6357   6.5338   3.0690 -1.042735 4.045457 
1 1 1    4   47   14 o   38.829   1.0024  1479.20   73.048  1511.67   92.753  1426.16  118.539   39.413   1.2123   38.246   1.5967 1.167709 2.004767 
1 1 1    4   47   15 o   32.188   1.1575  1050.49   68.653  1163.93   87.537  869.212  110.658   34.567   1.3046   29.809   1.9123 4.757296 2.314944 
1 1 1    4   47   16 o   21.499   1.6505  465.528   65.949  497.129   83.853  414.286  106.778   22.526   1.9176   20.473   2.6868 2.053736 3.300978 
1 1 1    4   47   17 o   21.783   1.5809  448.961   65.061  391.486   81.386  550.716  108.291   19.948   2.1018   23.618   2.3620 -3.669817 3.161732 
1 1 1    4   47   18 o   18.317   1.8853  345.994   62.238  367.934   78.867  309.774  101.334   19.315   2.1035   17.319   3.1293 1.996035 3.770547 
1 1 1    4   47   19 o   8.3138   2.3745   32.943   58.458   15.984   75.620   58.126   92.153   7.4746   3.1223   9.1531   3.5782 -1.678491 4.748941 
1 1 1    4   47   20 o   22.463   1.5424  525.010   63.810  594.700   82.216  419.441  101.191   24.534   1.7263   20.391   2.5564 4.143070 3.084741 
1 1 1    4   47   21 f   7.0900   2.2572 -39.7526   63.914 -64.2101   81.957  -1.7923  102.104   6.1293   2.8499   8.0508   3.5012 -1.921469 4.514448 
1 1 1    4   47   22 o   20.544   1.7443  424.525   68.721  397.834   89.415  463.045  107.415   19.819   2.3242   21.269   2.6016 -1.450687 3.488600 
1 1 1    4   47   23 o   8.1932   2.4506   8.7971   69.006 -42.0624   92.593   72.337  103.494   6.8585   3.1304   9.5279   3.7712 -2.669420 4.901156 
1 1 1    4   47   24 o   19.262   2.0409  393.501   75.826  387.065  101.478  401.635  114.095   19.174   2.7265   19.350   3.0376 -0.1759815 4.081755 
1 1 1    4   48    0 o   31.221   4.5822  858.124   61.355  855.097   61.679  1144.19  599.645   29.669   1.0710   32.772   9.1015 -3.103746 9.164311 
1 1 1    4   48    1 o   47.156   0.8192  2195.84   69.094  2254.52   83.513  2068.53  123.009   48.181   0.8929   46.131   1.3737 2.049770 1.638367 
1 1 1    4   48    2 o   56.317   0.8246  3050.16   82.606  3004.27   98.362  3160.00  152.163   55.617   0.9111   57.016   1.3748 -1.399338 1.649297 
1 1 1    4   48    3 o   75.765   0.9084  5626.54  125.065  5717.18  152.781  5442.42  217.742   76.716   1.0259   74.813   1.4993 1.902710 1.816735 
1 1 1    4   48    4 o  103.874   1.0961 10488.52  209.155 10476.37  257.094 10512.30  359.672  103.820   1.2757  103.928   1.7828 -0.1081161 2.192223 
1 1 1    4   48    5 f   39.185   1.0597  1495.05   80.488  1531.16  111.721  1456.08  116.058   39.680   1.4504   38.690   1.5453 0.9900780 2.119359 
1 1 1    4   48    6 o   71.608   0.8891  4961.49  116.505  4916.82  142.365  5052.07  202.721   71.139   1.0309   72.076   1.4489 -0.9369812 1.778242 
1 1 1    4   48    7 o   70.282   0.8828  4816.27  114.860  4851.88  142.690  4750.73  193.585   70.667   1.0402   69.896   1.4268 0.7715607 1.765694 
1 1 1    4   48    8 o   18.731   1.6860  336.826   59.425  320.390   74.522  365.527   98.478   18.125   2.1180   19.336   2.6237 -1.210218 3.371921 
1 1 1    4   48    9 o   65.324   0.8920  4164.95  107.467  4200.45  132.990  4098.14  182.438   65.745   1.0420   64.903   1.4481 0.8425827 1.784025 
1 1 1    4   48   10 o   53.956   0.8565  2810.42   85.531  2765.59  105.632  2895.76  145.749   53.348   1.0200   54.563   1.3761 -1.214577 1.712905 
1 1 1    4   48   11 o   37.167   0.9888  1325.94   69.383  1270.20   87.569  1419.95  113.721   36.141   1.2482   38.193   1.5339 -2.051987 1.977604 
1 1 1    4   48   12 o   50.891   0.8676  2548.92   82.898  2645.12  105.791  2395.87  133.434   52.164   1.0447   49.617   1.3854 2.547310 1.735163 
1 1 1    4   48   13 o   27.002   5.8844  818.307   86.192  823.434   86.354 -548.3047  1409.89   29.068   1.5304   24.936   11.669 4.131939 11.76884 
1 1 1    4   48   14 o   65.727   0.9063  4176.22  109.772  4109.91  134.920  4306.08  188.804   64.995   1.0694   66.459   1.4635 -1.463913 1.812569 
1 1 1    4   48   15 f   28.019   1.2861  792.068   66.010  850.156   82.684  689.976  109.615   29.521   1.4428   26.517   2.1295 3.004648 2.572297 
1 1 1    4   48   16 o   18.116   1.8774  323.371   62.987  319.224   77.971  331.162  106.863   18.004   2.2310   18.228   3.0201 -0.2242622 3.754749 
1 1 1    4   48   17 o   33.682   1.0960  1110.01   69.405  1109.60   87.853  1110.69  113.202   33.708   1.3426   33.656   1.7327 0.5177689E-01 2.192020 
1 1 1    4   48   18 o   11.136   2.3685   92.098   60.747   12.971   75.785  234.309  101.599   7.4228   3.1149   14.850   3.5689 -7.426776 4.737032 
1 1 1    4   48   19 o   23.774   1.5264  599.753   65.017  693.232   82.274  444.295  106.099   26.540   1.5970   21.008   2.6017 5.531677 3.052711 
1 1 1    4   48   20 o   8.0237   2.3478 -14.2825   62.357 -78.1696   78.654   93.817  102.312   5.7706   2.7179   10.277   3.8291 -4.506067 4.695590 
1 1 1    4   48   21 o   17.147   1.9540  312.108   61.767  354.284   82.925  259.545   92.574   18.748   2.2785   15.546   3.1750 3.202267 3.907976 
1 1 1    4   48   22 o   9.7369   2.5927   83.903   65.429   71.049   83.816  103.958  104.690   9.0676   3.4467   10.406   3.8741 -1.338564 5.185379 
1 1 1    4   48   23 o   7.3253   2.3282 -28.8706   69.036 -55.4671   92.600   4.4097  103.584   6.6212   3.0614   8.0294   3.5084 -1.408277 4.656307 
1 1 1    4   48   24 o   8.7613   2.4158   22.025   70.972 -110.7094  102.194  145.689   98.640   6.2319   2.9814   11.291   3.8020 -5.058892 4.831594 
1 1 1    4   49    0 o   30.151   4.8463  939.066   64.381  939.699   64.716  878.312  633.838   31.100   1.0720   29.202   9.6331 1.897638 9.692573 
1 1 1    4   49    1 o   27.732   1.1483  763.075   53.888  779.313   62.792  717.685  104.982   28.319   1.1422   27.144   1.9924 1.175358 2.296606 
1 1 1    4   49    2 o   60.143   0.8216  3538.98   90.367  3587.58  110.997  3443.45  155.625   60.772   0.9409   59.514   1.3471 1.258739 1.643144 
1 1 1    4   49    3 o   37.402   0.9132  1349.84   60.174  1336.24   71.249  1383.68  112.381   37.087   0.9897   37.716   1.5350 -0.6283455 1.826367 
1 1 1    4   49    4 o   6.0482   2.0064 -83.3194   51.530 -101.2582   60.520 -36.0336   98.258   4.5616   2.2102   7.5348   3.3493 -2.973165 4.012797 
1 1 1    4   49    5 o   83.203   1.0913  6734.86  176.198  6770.99  246.250  6696.95  252.221   83.434   1.5204   82.971   1.5660 0.4628143 2.182667 
1 1 1    4   49    6 o   19.137   1.6421  359.108   57.377  362.590   70.308  352.165   99.281   19.294   1.8772   18.979   2.6948 0.3148003 3.284158 
1 1 1    4   49    7 o   32.243   1.1061  1058.39   65.447  1193.57   83.635  844.858  105.118   35.038   1.2297   29.448   1.8389 5.590103 2.212150 
1 1 1    4   49    8 o   35.546   1.1679  1227.42   80.487  1286.36  117.378  1175.11  110.579   36.349   1.6635   34.743   1.6396 1.605801 2.335711 
1 1 1    4   49    9 o   69.747   0.9035  4703.02  116.021  4644.86  142.567  4817.08  199.641   69.133   1.0624   70.362   1.4617 -1.228920 1.806941 
1 1 1    4   49   10 o   27.037   1.2410  703.471   62.601  681.551   77.819  743.671  105.385   26.461   1.5150   27.613   1.9661 -1.152229 2.482081 
1 1 1    4   49   11 o   30.871   1.1316  912.353   65.909  864.326   82.936  994.675  108.581   29.798   1.4338   31.944   1.7511 -2.145420 2.263170 
1 1 1    4   49   12 o   66.537   1.0397  4312.02  134.278  4252.91  188.311  4373.16  191.527   66.074   1.4682   67.000   1.4726 -0.9268570 2.079458 
1 1 1    4   49   13 o   56.037   0.9179  3096.35   94.783  3184.82  117.840  2934.24  159.521   57.217   1.0610   54.856   1.4980 2.360130 1.835703 
1 1 1    4   49   14 o   57.423   0.8998  3202.75   95.693  3179.90  118.535  3245.50  162.154   57.162   1.0683   57.684   1.4481 -0.5218239 1.799521 
1 1 1    4   49   15 o   45.224   0.9527  2030.05   78.672  2103.57   97.104  1889.59  134.211   46.478   1.0763   43.970   1.5724 2.508640 1.905489 
1 1 1    4   49   16 o   13.550   2.2603  206.672   61.461  271.465   77.390   96.010  101.140   16.568   2.4063   10.531   3.8268 6.036360 4.520516 
1 1 1    4   49   17 o   45.372   0.9354  2006.18   78.815  1992.04   97.955  2032.14  132.727   45.191   1.1166   45.553   1.5010 -0.3615036 1.870794 
1 1 1    4   49   18 o   37.067   0.9861  1343.05   68.874  1331.30   87.314  1362.40  112.058   36.896   1.2191   37.238   1.5502 -0.3420830 1.972133 
1 1 1    4   49   19 o   10.439   2.4705  110.632   61.401  145.529   78.625   56.080   98.304   11.679   3.3143   9.1996   3.6646 2.479542 4.941024 
1 1 1    4   49   20 o   35.525   1.0612  1251.71   71.010  1278.63   90.702  1209.09  114.135   36.090   1.2947   34.960   1.6819 1.130650 2.122454 
1 1 1    4   49   21 o   18.743   1.7968  349.989   64.197  271.527   84.314  458.224   99.028   16.255   2.6720   21.230   2.4030 -4.974401 3.593586 
1 1 1    4   49   22 f   8.6220   2.5042   39.777   67.005   17.017   88.817   69.842  102.079   7.8164   3.3301   9.4277   3.7410 -1.611374 5.008455 
1 1 1    4   49   23 o   13.420   2.4898  217.615   71.307  298.208   93.718  106.815  109.886   16.488   3.0402   10.353   3.9438 6.134823 4.979591 
1 1 1    4   50    0 o   36.275   5.1819  1388.79   68.949  1389.41   69.245  1316.71  746.706   37.820   0.9432   34.730   10.321 3.089699 10.36376 
1 1 1    4   50    1 o   88.728   0.9874  7623.47  160.341  7561.61  196.007  7748.62  278.776   88.212   1.1447   89.244   1.6092 -1.031624 1.974793 
1 1 1    4   50    2 o   31.664   1.0830  985.438   58.563  996.981   68.397  953.727  113.360   32.032   1.1000   31.296   1.8659 0.7354946 2.166041 
1 1 1    4   50    3 o   22.943   1.3000  500.761   54.041  480.966   64.984  545.150   97.310   22.237   1.5055   23.649   2.1197 -1.412128 2.599949 
1 1 1    4   50    4 o   44.363   0.8820  1922.17   68.741  1934.38   81.568  1892.26  127.695   44.623   0.9417   44.104   1.4915 0.5188942 1.763926 
1 1 1    4   50    5 o   53.574   0.8223  2769.85   80.476  2731.45   98.057  2849.09  140.856   53.022   0.9527   54.125   1.3406 -1.103004 1.644659 
1 1 1    4   50    6 o   53.830   0.8624  2796.04   85.458  2751.85  104.901  2883.24  147.356   53.216   1.0155   54.444   1.3943 -1.227654 1.724891 
1 1 1    4   50    7 o   49.910   0.8530  2411.09   79.617  2382.73   99.709  2461.00  132.254   49.517   1.0373   50.303   1.3544 -0.7853737 1.706012 
1 1 1    4   50    8 o   28.991   1.1675  800.410   62.888  759.494   77.454  879.570  107.734   27.939   1.4281   30.042   1.8474 -2.102896 2.335034 
1 1 1    4   50    9 o   12.802   2.4407  164.427   60.683  156.465   76.912  177.556   98.765   12.384   3.1823   13.221   3.7016 -0.8374310 4.881501 
1 1 1    4   50   10 o   53.024   0.8817  2767.35   86.273  2843.83  107.382  2628.08  144.897   54.089   1.0227   51.959   1.4366 2.130283 1.763463 
1 1 1    4   50   11 o   46.944   0.9126  2097.77   79.739  1987.36   98.395  2309.01  136.099   45.201   1.1214   48.688   1.4400 -3.486561 1.825160 
1 1 1    4   50   12 o   10.581   2.6208  100.250   65.027  104.629   81.476   92.567  107.929   10.470   3.4538   10.692   3.9428 -0.2217445 5.241573 
1 1 1    4   50   13 o   43.196   1.1394  1823.22   94.924  1810.38  142.258  1833.53  127.445   43.044   1.7026   43.348   1.5146 -0.3046341 2.278723 
1 1 1    4   50   14 o   19.766   1.8400  394.693   65.619  410.836   80.302  362.251  113.839   20.459   2.0219   19.073   3.0747 1.386343 3.679989 
1 1 1    4   50   15 o   35.930   1.0379  1229.57   70.157  1140.48   87.597  1388.95  117.165   34.184   1.3201   37.676   1.6020 -3.491425 2.075834 
1 1 1    4   50   16 o   37.101   1.0227  1354.71   70.430  1375.45   87.996  1317.75  117.483   37.543   1.2075   36.660   1.6509 0.8821793 2.045321 
1 1 1    4   50   17 o   58.005   0.8861  3282.56   95.780  3262.55  119.580  3318.38  159.979   57.820   1.0654   58.191   1.4163 -0.3710785 1.772264 
1 1 1    4   50   18 o   16.608   2.0268  272.301   62.637  230.943   78.808  343.242  103.213   14.859   2.8357   18.356   2.8966 -3.497348 4.053524 
1 1 1    4   50   19 o   20.381   1.6284  396.841   62.832  324.633   79.075  520.521  103.489   17.998   2.2634   22.764   2.3419 -4.766731 3.256893 
1 1 1    4   50   20 o   17.805   2.0653  338.206   67.168  361.707   86.789  303.106  106.065   18.902   2.3653   16.708   3.3863 2.194191 4.130547 
1 1 1    4   50   21 o   24.840   1.4773  630.000   68.897  656.883   88.252  588.046  110.247   25.658   1.7719   24.022   2.3643 1.636072 2.954583 
1 1 1    4   50   22 o   11.147   2.3255  127.352   67.419  242.522   89.474 -23.9341  102.548   14.803   3.2065   7.4914   3.3690 7.311635 4.650952 
1 1 1    4   50   23 o   13.923   2.6809  229.301   73.790  232.068   95.966  225.300  115.414   14.184   3.5056   13.662   4.0570 0.5219040 5.361777 
1 1 1    4   51    0 o   45.765   5.4786  3155.68  101.724  3184.81  102.519  1299.84  818.339   57.257   0.9224   34.274   10.918 22.98230 10.95719 
1 1 1    4   51    1 o   31.223   1.0783  957.236   56.041  965.557   64.554  931.782  112.908   31.521   1.0550   30.924   1.8809 0.5971699 2.156541 
1 1 1    4   51    2 o   47.667   0.8310  2158.86   70.245  2089.93   83.142  2330.80  131.309   46.381   0.9234   48.952   1.3818 -2.571072 1.661999 
1 1 1    4   51    3 o   43.548   0.8991  1842.96   68.725  1841.50   81.353  1846.61  128.425   43.535   0.9627   43.562   1.5187 -0.2638626E-01 1.798123 
1 1 1    4   51    4 o   38.018   0.9359  1423.84   63.982  1455.51   77.576  1356.49  113.146   38.702   1.0326   37.334   1.5613 1.368149 1.871837 
1 1 1    4   51    5 o   28.668   1.1354  792.334   58.837  779.370   70.960  820.856  105.252   28.311   1.2912   29.025   1.8681 -0.7141743 2.270895 
1 1 1    4   51    6 o   38.988   0.9444  1461.93   68.488  1422.48   84.873  1535.56  115.959   38.254   1.1430   39.723   1.5038 -1.469257 1.888881 
1 1 1    4   51    7 o   33.157   1.0463  1051.54   64.768  1005.86   80.376  1136.13  109.374   32.159   1.2875   34.155   1.6496 -1.996513 2.092617 
1 1 1    4   51    8 o   23.197   1.4447  506.043   63.115  452.084   78.618  603.868  105.856   21.531   1.8810   24.864   2.1932 -3.332399 2.889370 
1 1 1    4   51    9 o   89.766   1.0161  7831.43  169.286  7798.28  210.358  7892.36  285.181   89.537   1.2103   89.995   1.6324 -0.4575043 2.032158 
1 1 1    4   51   10 o   69.411   0.9335  4760.64  120.263  4945.17  151.188  4442.71  198.447   71.304   1.0923   67.519   1.5141 3.785286 1.866984 
1 1 1    4   51   11 o   25.323   1.3961  657.885   63.600  722.607   78.995  538.625  107.230   27.223   1.4949   23.423   2.3584 3.799810 2.792216 
1 1 1    4   51   12 f   51.681   0.9229  2611.71   87.914  2632.00  108.716  2573.35  149.441   52.005   1.0769   51.357   1.4990 0.6471672 1.845741 
1 1 1    4   51   13 f   76.169   0.9702  5631.03  136.411  5568.01  168.163  5752.29  233.262   75.607   1.1458   76.730   1.5661 -1.123131 1.940469 
1 1 1    4   51   14 o   23.392   1.4969  523.890   65.112  490.387   80.117  589.070  111.747   22.359   1.8459   24.424   2.3569 -2.065542 2.993741 
1 1 1    4   51   15 o   32.024   1.1457  1019.22   68.228  1058.91   86.013  951.849  112.047   32.923   1.3458   31.124   1.8545 1.799070 2.291424 
1 1 1    4   51   16 o   39.300   0.9775  1502.69   71.514  1479.29   88.970  1545.40  120.211   38.917   1.1777   39.682   1.5606 -0.7657127 1.955088 
1 1 1    4   51   17 o   26.668   1.3485  732.974   66.466  831.275   85.960  586.828  104.812   29.079   1.5228   24.257   2.2259 4.821405 2.696962 
1 1 1    4   51   18 o   33.420   1.0811  1077.52   68.251  1008.74   85.925  1195.11  112.346   32.048   1.3812   34.792   1.6635 -2.743244 2.162138 
1 1 1    4   51   19 o   17.442   1.8962  308.174   63.005  298.350   81.137  323.096   99.995   17.170   2.4343   17.714   2.9080 -0.5437851 3.792450 
1 1 1    4   51   20 f   37.305   1.0467  1372.37   73.365  1362.06   92.652  1389.71  120.126   37.202   1.2830   37.408   1.6543 -0.2053871 2.093499 
1 1 1    4   51   21 o   13.759   2.2941  223.355   68.596  335.461   90.299   70.387  105.479   18.015   2.5821   9.5019   3.7925 8.513387 4.588109 
1 1 1    4   51   22 o   8.2093   2.4712   27.523   68.667   39.553   89.056   9.8849  107.837   8.2310   3.4090   8.1877   3.5786 0.4336929E-01 4.942442 
1 1 1    4   52    0 o   34.061   5.4870  1406.97   76.467  1411.35   76.798  901.419  824.799   38.110   1.0381   30.011   10.925 8.098923 10.97398 
1 1 1    4   52    1 o   35.385   0.8588  1224.89   56.740  1245.92   71.434  1188.94   93.396   35.807   1.0277   34.963   1.3761 0.8447800 1.717534 
1 1 1    4   52    2 o   36.834   0.9522  1307.17   63.229  1286.70   76.094  1352.82  113.645   36.386   1.0773   37.282   1.5703 -0.8958931 1.904333 
1 1 1    4   52    3 o   23.880   1.3322  515.653   57.399  455.530   67.914  665.986  107.391   21.632   1.6173   26.128   2.1174 -4.496008 2.664424 
1 1 1    4   52    4 o   73.358   0.9118  5305.40  122.507  5459.84  151.333  5011.77  208.667   74.953   1.0401   71.762   1.4979 3.191093 1.823624 
1 1 1    4   52    5 o   49.849   0.8636  2432.56   76.763  2457.95   92.163  2375.04  138.704   50.295   0.9440   49.403   1.4463 0.8924713 1.727144 
1 1 1    4   52    6 o   40.958   1.0496  1632.91   83.449  1634.83  117.516  1630.96  118.518   40.983   1.4772   40.933   1.4916 0.4970932E-01 2.099251 
1 1 1    4   52    7 f   41.457   0.9360  1643.96   71.943  1580.71   88.596  1766.40  123.272   40.320   1.1320   42.594   1.4909 -2.274220 1.871948 
1 1 1    4   52    8 o   32.182   5.5747  400.357   80.220  385.949   80.514  2362.40  939.582   19.872   2.0872   44.493   10.952 -24.62127 11.14944 
1 1 1    4   52    9 o   21.815   1.5848  470.918   62.800  480.013   76.796  452.559  109.108   22.173   1.7842   21.456   2.6196 0.7165699 3.169523 
1 1 1    4   52   10 o   11.061   2.5809  109.754   62.627   86.347   78.238  151.503  104.489   9.7727   3.3838   12.350   3.8980 -2.577332 5.161772 
1 1 1    4   52   11 o   33.347   1.1106  1090.48   68.459  1102.06   85.001  1069.09  115.495   33.630   1.3021   33.063   1.7995 0.5663910 2.221162 
1 1 1    4   52   12 o   11.516   2.5433  136.957   64.518  168.597   79.471   75.788  110.498   12.759   3.2111   10.273   3.9449 2.485830 5.086587 
1 1 1    4   52   13 o   48.864   0.9377  2339.45   85.031  2362.45  106.032  2298.00  142.333   49.242   1.1093   48.486   1.5122 0.7555962 1.875458 
1 1 1    4   52   14 o   14.722   2.1638  246.449   60.810  339.928   79.299  113.004   94.746   18.557   2.2014   10.888   3.7259 7.669160 4.327667 
1 1 1    4   52   15 o   16.306   2.0265  268.084   61.851  253.202   80.193  289.938   97.176   15.919   2.5952   16.694   3.1132 -0.7753429 4.053031 
1 1 1    4   52   16 f   31.497   1.1883  1008.05   68.459  1082.19   85.681  877.162  113.847   33.236   1.3280   29.757   1.9709 3.478897 2.376564 
1 1 1    4   52   17 o   29.636   1.1556  853.253   64.768  810.323   81.888  924.980  105.849   28.702   1.4698   30.569   1.7838 -1.867599 2.311266 
1 1 1    4   52   18 o   6.8639   2.1978 -36.7857   62.321 -29.4533   81.604 -47.0468   96.536   6.6911   3.0075   7.0367   3.2057 -0.3455272 4.395666 
1 1 1    4   52   19 o   27.587   1.2988  751.197   68.318  719.967   87.917  798.798  108.542   26.930   1.6818   28.244   1.9797 -1.314611 2.597625 
1 1 1    4   52   20 o   25.112   1.5596  671.680   70.890  757.119   89.720  529.709  115.654   27.574   1.6762   22.649   2.6305 4.924995 3.119156 
1 1 1    4   52   21 o   7.7642   2.4956 -46.1544   85.046 -153.6369  139.643   17.217  107.225   7.1741   3.4461   8.3544   3.6105 -1.180296 4.991128 
1 1 1    4   53    0 o   26.139   5.5057  819.147   70.862  824.597   70.968 -985.4412  1291.36   29.120   1.2555   23.159   10.940 5.960592 11.01140 
1 1 1    4   53    1 o   33.381   5.4033  1166.68   73.145  1166.96   73.462  1134.89  788.708   34.649   1.0922   32.113   10.751 2.536003 10.80659 
1 1 1    4   53    2 o   20.509   1.5610  393.480   57.209  368.824   67.699  455.067  106.995   19.454   1.7927   21.565   2.5560 -2.110361 3.121965 
1 1 1    4   53    3 o   5.4259   1.8396 -103.8211   54.041 -70.7619   65.930 -171.5080   94.339   5.3091   2.4968   5.5427   2.7022 -0.2335019 3.679136 
1 1 1    4   53    4 o   29.034   1.1688  816.733   59.905  810.550   71.076  831.898  111.311   28.867   1.2684   29.201   1.9637 -0.3340588 2.337690 
1 1 1    4   53    5 o   25.074   1.3226  630.426   58.033  655.019   69.310  572.748  106.143   25.943   1.3763   24.205   2.2591 1.738699 2.645268 
1 1 1    4   53    6 o   73.243   0.9232  5267.14  123.367  5360.54  151.348  5082.22  212.963   74.253   1.0500   72.233   1.5188 2.020660 1.846439 
1 1 1    4   53    7 o   48.514   0.8999  2249.44   80.131  2168.38   97.632  2416.76  140.261   47.219   1.0651   49.808   1.4507 -2.588814 1.799728 
1 1 1    4   53    8 o   29.019   1.2198  848.830   64.837  913.799   81.280  735.154  107.514   30.627   1.3672   27.410   2.0206 3.216410 2.439680 
1 1 1    4   53    9 o   26.517   1.3780  709.845   65.172  747.687   79.247  630.767  114.556   27.690   1.4743   25.345   2.3284 2.345400 2.755941 
1 1 1    4   53   10 f   20.324   1.6611  400.487   62.819  386.676   77.798  426.362  106.487   19.863   2.0177   20.786   2.6392 -0.9229546 3.322103 
1 1 1    4   53   11 o   22.532   1.5620  506.094   64.222  520.110   79.075  478.933  110.077   23.050   1.7673   22.013   2.5760 1.036623 3.123965 
1 1 1    4   53   12 o   9.9876   2.5013   89.783   59.808   98.172   75.319   75.467   98.394   10.072   3.3206   9.9031   3.7416 0.1690474 5.002600 
1 1 1    4   53   13 o   12.438   2.3306  174.125   60.665  228.371   75.271   73.575  102.479   14.938   2.6950   9.9389   3.8032 4.999006 4.661218 
1 1 1    4   53   14 o   60.025   0.9071  3550.24  100.811  3620.56  125.725  3423.61  168.708   60.930   1.0630   59.120   1.4701 1.809444 1.814117 
1 1 1    4   53   15 o   28.680   1.2513  823.798   66.620  858.018   83.911  765.450  109.571   29.570   1.4618   27.789   2.0312 1.781040 2.502563 
1 1 1    4   53   16 o   29.199   1.2307  831.041   65.831  807.836   80.245  878.803  115.125   28.668   1.4420   29.730   1.9949 -1.062025 2.461478 
1 1 1    4   53   17 o   21.677   1.4998  460.064   62.008  422.565   79.368  518.809   99.341   20.605   1.9844   22.750   2.2495 -2.145718 2.999615 
1 1 1    4   53   18 f   32.265   1.1384  1050.49   69.213  1130.48   90.023  934.865  108.239   33.884   1.3687   30.646   1.8195 3.237936 2.276759 
1 1 1    4   53   19 f   22.527   1.6292  519.589   68.277  530.638   85.876  500.604  112.571   23.008   1.9228   22.045   2.6306 0.9632225 3.258345 
1 1 1    4   53   20 o   11.094   2.5579  136.861   65.814  173.682   86.015   84.860  102.217   12.428   3.4455   9.7602   3.7816 2.668097 5.115829 
1 1 1    4   53   21 o   8.5377   2.5019   34.516   67.852  -2.3199   88.068   88.316  106.433   7.2844   3.2076   9.7911   3.8405 -2.506733 5.003827 
1 1 1    4   54    0 o   51.723   7.0302  2330.18   90.311  2324.83   90.476  3787.33  1493.51   48.911   0.9529   54.535   14.028 -5.623806 14.06039 
1 1 1    4   54    1 o   27.768   5.5793  874.060   71.527  877.445   71.702  182.958  1024.62   30.035   1.2298   25.501   11.091 4.534235 11.15861 
1 1 1    4   54    2 o   6.0382   1.9990 -71.1341   54.482 -65.9358   66.145 -82.1021   96.079   5.3966   2.5260   6.6798   3.0990 -1.283231 3.998064 
1 1 1    4   54    3 o   29.318   1.1546  810.538   60.058  773.529   70.914  904.427  112.950   28.195   1.2957   30.442   1.9114 -2.247082 2.309147 
1 1 1    4   54    4 o   19.319   1.8250  400.273   56.965  435.718   67.384  311.492  106.643   21.142   1.6419   17.496   3.2599 3.645765 3.650092 
1 1 1    4   54    5 o   56.583   0.8590  3159.85   89.055  3255.76  110.096  2978.33  151.462   57.868   0.9801   55.298   1.4110 2.570652 1.718005 
1 1 1    4   54    6 o   54.492   0.8851  2883.77   86.738  2872.21  104.468  2909.42  155.624   54.347   0.9902   54.636   1.4673 -0.2887573 1.770221 
1 1 1    4   54    7 o   55.712   0.8955  2954.63   90.477  2839.04  108.893  3212.34  162.597   54.023   1.0384   57.402   1.4592 -3.378853 1.790970 
1 1 1    4   54    8 o   19.654   1.6590  371.896   61.977  344.234   78.801  416.761  100.355   18.733   2.1670   20.575   2.5126 -1.842003 3.317978 
1 1 1    4   54    9 o   41.178   0.9871  1640.73   74.814  1613.42   91.818  1694.67  129.048   40.703   1.1621   41.652   1.5960 -0.9499092 1.974292 
1 1 1    4   54   10 o   27.462   1.2916  703.379   65.472  632.614   79.402  853.692  115.723   25.437   1.6081   29.487   2.0217 -4.049944 2.583276 
1 1 1    4   54   11 o   16.270   2.1897  295.189   63.381  356.687   79.863  190.548  104.175   19.030   2.1619   13.509   3.8085 5.521783 4.379322 
1 1 1    4   54   12 f   27.431   1.3183  775.278   64.417  843.426   79.135  641.437  110.901   29.379   1.3876   25.483   2.2419 3.896040 2.636590 
1 1 1    4   54   13 o   37.451   1.0070  1371.87   69.682  1369.31   86.209  1376.70  118.351   37.449   1.1859   37.453   1.6279 -0.3124237E-02 2.014040 
1 1 1    4   54   14 o   28.417   1.2649  787.027   67.847  757.450   85.714  836.648  111.021   27.758   1.5908   29.075   1.9670 -1.317627 2.529776 
1 1 1    4   54   15 o   19.505   1.7610  376.374   63.847  360.513   78.916  406.428  108.631   19.012   2.1383   19.997   2.7985 -0.9841824 3.521937 
1 1 1    4   54   16 o   21.379   1.5120  438.779   61.429  371.149   77.802  550.734  100.102   19.293   2.0774   23.465   2.1976 -4.171522 3.024097 
1 1 1    4   54   17 o   19.635   1.6951  376.874   63.496  313.314   81.439  475.416  101.403   17.600   2.3837   21.670   2.4106 -4.070023 3.390174 
1 1 1    4   54   18 o   12.875   2.4979  187.005   64.179  203.794   82.270  160.906  102.578   13.677   3.1620   12.073   3.8677 1.604064 4.995731 
1 1 1    4   54   19 o   13.634   2.4580  206.483   64.922  188.165   86.524  230.083   98.209   12.979   3.3953   14.289   3.5551 -1.310303 4.916017 
1 1 1    4   54   20 o   18.826   1.8645  358.621   66.887  304.508   85.276  445.138  107.826   17.078   2.5723   20.575   2.6997 -3.496946 3.729007 
1 1 1    4   55    0 o   35.610   1.0463  1233.10   72.326  1233.10   72.326   0.0000   0.0000   35.610   1.0463  ?   ?       ?      ? 
1 1 1    4   55    1 o   37.329   5.9345  2083.50   88.494  2093.06   88.788  645.968  1088.35   46.399   0.9858   28.259   11.828 18.14002 11.86910 
1 1 1    4   55    2 o   31.859   1.1369  1037.59   62.540  1103.45   74.611  882.003  114.679   33.678   1.1413   30.040   1.9666 3.637836 2.273756 
1 1 1    4   55    3 o   24.279   6.6092  371.590   68.723  371.612   68.790  360.269  1558.55   19.506   1.8167   29.052   13.093 -9.546528 13.21848 
1 1 1    4   55    4 o   31.621   1.0519  959.615   60.458  932.769   73.090  1017.78  107.586   30.954   1.2164   32.287   1.7166 -1.332321 2.103868 
1 1 1    4   55    5 o   16.701   2.1442  324.483   58.700  380.243   70.003  192.402  107.738   19.724   1.8284   13.678   3.8790 6.045693 4.288317 
1 1 1    4   55    6 o   54.157   0.8906  2789.57   85.138  2699.93  100.444  3018.32  160.450   52.686   0.9821   55.629   1.4859 -2.943077 1.781108 
1 1 1    4   55    7 o   12.544   2.3157  147.194   47.146  139.014   52.094  184.219  110.829   11.683   2.3779   13.405   3.9745 -1.722215 4.631496 
1 1 1    4   55    8 o   15.750   2.2731  248.788   63.952  243.070   77.182  261.313  114.227   15.692   2.5339   15.808   3.7745 -0.1167536 4.546137 
1 1 1    4   55    9 o   11.897   2.4233  154.476   62.201  199.067   75.905   63.328  108.523   13.903   2.9062   9.8911   3.8786 4.011529 4.846576 
1 1 1    4   55   10 o   32.334   1.1407  1034.00   66.311  1052.66   80.334  994.094  117.472   32.849   1.2598   31.818   1.9019 1.030323 2.281326 
1 1 1    4   55   11 o   13.222   2.3803  176.722   59.849  154.370   75.528  214.442   98.116   12.170   3.1667   14.273   3.5547 -2.102391 4.760649 
1 1 1    4   55   12 o   29.158   1.2264  838.397   66.482  845.011   83.079  826.619  110.860   29.373   1.4571   28.942   1.9732 0.4302082 2.452882 
1 1 1    4   55   13 o   14.955   2.2329  226.666   60.729  202.608   75.334  271.313  102.626   13.924   2.8821   15.985   3.4112 -2.061296 4.465733 
1 1 1    4   55   14 o   33.963   1.1009  1131.76   69.397  1122.23   86.194  1149.33  117.006   33.830   1.3125   34.096   1.7678 -0.2654037 2.201822 
1 1 1    4   55   15 o   21.364   1.6466  458.063   65.626  458.120   82.290  457.964  108.772   21.465   1.9750   21.264   2.6352 0.2007771 3.293109 
1 1 1    4   55   16 o   6.5834   2.1107 -61.1283   62.956   11.575   81.577 -168.1943   98.996   7.5203   3.1974   5.6465   2.7562 1.873794 4.221414 
1 1 1    4   55   17 o   10.942   2.2232  126.854   63.159  225.397   79.712 -39.3650  103.526   14.511   2.9308   7.3732   3.3438 7.137507 4.446439 
1 1 1    4   55   18 o   7.7063   2.3195 -24.5008   63.926 -94.5570   82.116   83.268  101.848   5.6446   2.6927   9.7679   3.7775 -4.123312 4.638973 
1 1 1    4   55   19 o   25.554   1.4321  651.623   68.981  620.214   86.841  705.330  113.554   24.846   1.8005   26.261   2.2275 -1.415026 2.864189 
1 1 1    4   55   20 o   6.0860   2.0635 -142.2425   67.090 -215.8110   85.587 -24.9882  108.050   4.5887   2.2954   7.5833   3.4297 -2.994664 4.126949 
1 1 1    4   56    0 o   29.145   1.2399  827.072   70.146  827.072   70.146   0.0000   0.0000   29.145   1.2399  ?   ?       ?      ? 
1 1 1    4   56    1 o   13.041   2.5322  172.813   61.789  172.813   61.789   0.0000   0.0000   13.041   2.5322  ?   ?       ?      ? 
1 1 1    4   56    2 o   35.955   0.8935  1236.94   60.448  1174.19   75.756  1346.93  100.289   34.735   1.1235   37.176   1.3897 -2.440849 1.787084 
1 1 1    4   56    3 o   20.333   1.5419  425.311   56.939  474.724   71.770  341.389   93.532   22.048   1.6769   18.618   2.5880 3.429899 3.083817 
1 1 1    4   56    4 o   28.027   1.2910  807.306   62.926  865.330   75.616  676.615  113.483   29.800   1.3072   26.254   2.2268 3.546764 2.582093 
1 1 1    4   56    5 o   61.686   0.9075  3719.75  100.458  3738.95  121.062  3677.32  180.014   61.990   1.0061   61.382   1.5108 0.6077385 1.815094 
1 1 1    4   56    6 f   42.890   0.9446  1799.03   71.610  1806.55   85.297  1781.05  131.806   43.084   1.0199   42.696   1.5903 0.3883820 1.889267 
1 1 1    4   56    7 o   13.894   2.2515  174.944   52.502  150.285   59.840  257.405  109.427   12.100   2.6233   15.689   3.6601 -3.589165 4.503093 
1 1 1    4   56    8 o   14.087   2.1770  159.927   61.238   60.201   74.040  375.861  108.950   8.7456   3.2576   19.429   2.8888 -10.68323 4.353948 
1 1 1    4   56    9 o   22.587   1.5672  518.733   64.160  551.385   79.348  457.062  109.048   23.717   1.7235   21.456   2.6181 2.260963 3.134486 
1 1 1    4   56   10 o   16.452   2.0114  259.587   61.166  216.781   75.932  338.697  103.226   14.507   2.7977   18.396   2.8907 -3.888725 4.022876 
1 1 1    4   56   11 o   18.948   1.9163  403.426   60.975  494.937   77.300  252.695   99.207   22.426   1.7757   15.471   3.3965 6.954683 3.832664 
1 1 1    4   56   12 o   30.468   1.1856  935.502   66.536  989.761   83.463  840.896  110.209   31.785   1.3527   29.152   1.9475 2.632683 2.371226 
1 1 1    4   56   13 o   12.585   2.4799  172.696   62.004  185.290   77.485  150.275  103.388   13.204   3.0796   11.965   3.8878 1.238884 4.959766 
1 1 1    4   56   14 o   19.981   1.7325  416.075   63.544  455.239   80.517  351.400  103.469   21.407   1.9376   18.555   2.8727 2.852547 3.465057 
1 1 1    4   56   15 o   23.709   1.4645  556.695   66.262  533.675   85.445  591.424  104.950   23.155   1.9010   24.263   2.2283 -1.107790 2.929050 
1 1 1    4   56   16 o   13.008   2.5143  186.883   64.296  187.228   82.107  186.335  103.383   13.096   3.2461   12.920   3.8404 0.1757097 5.028542 
1 1 1    4   56   17 o   7.2307   2.2870 -21.7028   63.257 -31.9973   79.207  -3.5740  105.110   6.4668   2.9296   7.9946   3.5126 -1.527804 4.573929 
1 1 1    4   56   18 o   17.788   2.0846  327.905   67.621  301.257   83.669  378.094  114.825   17.062   2.5262   18.514   3.3168 -1.452425 4.169257 
1 1 1    4   56   19 o   8.1009   2.4614   20.569   67.085   11.562   83.690   36.760  112.204   7.4089   3.1958   8.7929   3.7445 -1.383970 4.922854 
1 1 1    4   57    0 o   17.476   2.0044  299.275   67.996  299.275   67.996   0.0000   0.0000   17.476   2.0044  ?   ?       ?      ? 
1 1 1    4   57    1 o   45.407   0.9835  2005.88   86.686  2005.88   86.686   0.0000   0.0000   45.407   0.9835  ?   ?       ?      ? 
1 1 1    4   57    2 o   46.739   0.9860  2125.44   89.461  2125.44   89.461   0.0000   0.0000   46.739   0.9860  ?   ?       ?      ? 
1 1 1    4   57    3 o   39.627   1.0079  1534.99   69.769  1538.75   82.414  1525.49  131.074   39.758   1.0678   39.495   1.7096 0.2626114 2.015727 
1 1 1    4   57    4 o   32.201   1.1422  1024.51   63.958  1038.66   75.561  988.761  120.114   32.649   1.1922   31.753   1.9487 0.8964767 2.284467 
1 1 1    4   57    5 o   51.429   0.9051  2574.88   81.369  2569.10   96.040  2589.58  153.177   51.379   0.9629   51.478   1.5329 -0.9848785E-01 1.810241 
1 1 1    4   57    6 o   32.962   1.1541  1125.22   64.062  1198.83   75.455  935.159  121.241   35.079   1.1081   30.846   2.0248 4.232512 2.308196 
1 1 1    4   57    7 o   15.485   2.0354  217.840   52.466  193.053   59.874  299.825  108.891   13.993   2.2043   16.977   3.4223 -2.984358 4.070749 
1 1 1    4   57    8 o   9.4807   2.5192   60.633   59.744   38.540   72.324  108.098  106.010   8.0041   3.1575   10.957   3.9264 -2.953315 5.038471 
1 1 1    4   57    9 o   27.340   1.2861  731.688   65.877  722.309   82.728  747.942  108.908   27.147   1.5699   27.533   2.0377 -0.3861332 2.572275 
1 1 1    4   57   10 o   28.935   1.4197  820.243   79.745  820.243   79.745   0.0000   0.0000   28.935   1.4197  ?   ?       ?      ? 
1 1 1    4   57   11 f   9.7886   2.3297   86.078   61.306  153.862   76.403 -36.4609  102.727   12.054   3.2086   7.5237   3.3787 4.529905 4.659441 
1 1 1    4   57   12 o   9.3023   2.4481   43.757   62.132 -16.4926   78.478  144.947  101.705   6.8251   3.0154   11.779   3.8575 -4.954280 4.896213 
1 1 1    4   57   13 o   8.0726   2.3959   15.161   61.870  -4.8216   78.266   48.450  101.019   7.0527   3.0662   9.0925   3.6824 -2.039826 4.791821 
1 1 1    4   57   14 o   14.623   2.4025  233.759   65.714  241.493   83.884  221.472  105.731   15.090   2.9695   14.155   3.7775 0.9342527 4.804967 
1 1 1    4   57   15 o   47.272   0.9687  2226.77   86.569  2324.38  111.976  2081.76  136.483   48.663   1.1854   45.881   1.5324 2.781395 1.937395 
1 1 1    4   57   16 o   6.9023   2.2274 -39.2883   64.065 -36.2890   80.551 -44.4517  105.689   6.4554   2.9360   7.3492   3.3505 -0.8937588 4.454879 
1 1 1    4   57   17 o   13.599   2.4405  187.146   65.951  109.213   82.789  322.492  109.102   10.170   3.4829   17.028   3.4195 -6.858135 4.880934 
1 1 1    4   57   18 o   9.9528   2.6495   86.640   67.835   52.601   84.274  149.282  114.323   8.4175   3.3793   11.488   4.0816 -3.070670 5.298965 
1 1 1    4   58    0 o   23.853   1.4486  555.542   67.074  555.542   67.074   0.0000   0.0000   23.853   1.4486  ?   ?       ?      ? 
1 1 1    4   58    1 o   23.389   1.5071  534.481   68.428  534.481   68.428   0.0000   0.0000   23.389   1.5071  ?   ?       ?      ? 
1 1 1    4   58    2 o   32.475   1.1573  1027.71   72.957  1027.71   72.957   0.0000   0.0000   32.475   1.1573  ?   ?       ?      ? 
1 1 1    4   58    3 o   8.0968   2.3644   9.7150   55.420 -11.8593   65.313   65.195  104.736   6.3737   2.7854   9.8199   3.8214 -3.446183 4.728826 
1 1 1    4   58    4 o   23.963   1.3424  531.766   57.609  486.199   68.038  647.182  108.282   22.295   1.5721   25.631   2.1763 -3.336575 2.684754 
1 1 1    4   58    5 o   12.179   2.4748  136.780   56.794  112.180   66.653  201.983  108.512   10.485   3.0750   13.873   3.8785 -3.387903 4.949560 
1 1 1    4   58    6 o   20.032   1.6512  385.742   57.944  371.626   67.994  423.189  110.743   19.457   1.8002   20.606   2.7685 -1.148800 3.302352 
1 1 1    4   58    7 f   37.379   0.9601  1364.68   59.624  1363.79   68.477  1367.46  121.239   37.421   0.9427   37.336   1.6728 0.8539200E-01 1.920145 
1 1 1    4   58    8 o   48.756   0.8971  2269.45   77.838  2192.27   92.355  2458.73  144.626   47.422   1.0033   50.090   1.4874 -2.668495 1.794130 
1 1 1    4   58    9 o   25.912   1.3167  681.893   62.496  728.105   78.195  600.172  103.983   27.243   1.4786   24.581   2.1792 2.661877 2.633483 
1 1 1    4   58   10 o   19.107   1.7932  373.187   62.399  386.846   76.995  347.049  106.513   19.747   2.0086   18.468   2.9712 1.279247 3.586416 
1 1 1    4   58   11 o   23.544   1.4545  538.453   64.706  496.520   81.348  610.687  106.768   22.377   1.8727   24.710   2.2259 -2.332109 2.908911 
1 1 1    4   58   12 o   10.720   2.5429  109.451   61.714   80.677   78.797  155.108   99.258   9.3764   3.3823   12.064   3.7981 -2.687654 5.085805 
1 1 1    4   58   13 o   24.673   1.4151  603.661   66.267  589.136   84.807  626.432  106.190   24.362   1.7933   24.985   2.1895 -0.6233387 2.830169 
1 1 1    4   58   14 o   36.357   1.1131  1283.07   76.418  1205.12   96.195  1416.40  125.813   34.956   1.4176   37.758   1.7165 -2.801239 2.226251 
1 1 1    4   58   15 o   7.6678   2.2984 -41.8338   63.869 -125.8444   81.323   93.404  103.180   5.2464   2.5467   10.089   3.8268 -4.842703 4.596702 
1 1 1    4   58   16 o   17.107   2.1473  293.989   67.737  205.371   85.429  444.048  111.166   13.599   3.2752   20.615   2.7779 -7.016397 4.294623 
1 1 1    4   58   17 o   7.6877   2.4003 -13.6726   68.412 -46.0174   86.419   40.623  111.967   6.4724   2.9801   8.9030   3.7637 -2.430538 4.800639 
1 1 1    4   59    0 o   27.158   1.2416  719.495   65.454  719.495   65.454   0.0000   0.0000   27.158   1.2416  ?   ?       ?      ? 
1 1 1    4   59    1 o   5.6994   2.6104 -43.3195   65.121 -43.3195   65.121   0.0000   0.0000   5.6994   2.6104  ?   ?       ?      ? 
1 1 1    4   59    2 o   4.4215   2.1746 -134.1392   65.294 -134.1392   65.294   0.0000   0.0000   4.4215   2.1746  ?   ?       ?      ? 
1 1 1    4   59    3 o   34.851   1.0398  1158.45   62.791  1124.29   73.245  1253.18  121.959   33.962   1.1110   35.741   1.7579 -1.779137 2.079530 
1 1 1    4   59    4 o   28.179   1.2595  790.984   60.680  804.298   71.056  755.117  116.624   28.702   1.2753   27.656   2.1724 1.046036 2.519100 
1 1 1    4   59    5 o   14.557   2.2262  255.569   57.576  306.138   67.917  126.397  108.548   17.624   1.9852   11.491   3.9853 6.133479 4.452347 
1 1 1    4   59    6 o   39.929   0.9491  1541.22   66.552  1517.02   78.548  1602.79  125.302   39.445   1.0258   40.414   1.5972 -0.9691086 1.898265 
1 1 1    4   59    7 o   15.256   2.0557  255.571   50.781  272.010   58.729  206.868  101.087   16.609   1.8216   13.902   3.6859 2.706633 4.111444 
1 1 1    4   59    8 f   15.834   1.9517  272.638   50.582  290.754   59.405  224.876   96.457   17.166   1.7827   14.502   3.4724 2.664264 3.903322 
1 1 1    4   59    9 o   32.916   1.1040  1070.11   67.457  1079.25   84.166  1053.70  112.799   33.182   1.3067   32.650   1.7798 0.5320549 2.207935 
1 1 1    4   59   10 o   14.527   2.2726  226.288   61.131  230.594   77.980  219.421   98.464   14.839   2.8101   14.216   3.5724 0.6227503 4.545149 
1 1 1    4   59   11 o   12.175   2.4834  162.490   61.937  180.789   78.434  132.175  100.951   13.000   3.1427   11.350   3.8462 1.650501 4.966889 
1 1 1    4   59   12 o   16.654   2.0928  295.500   64.146  316.561   83.319  264.848  100.514   17.688   2.4265   15.620   3.4105 2.068255 4.185677 
1 1 1    4   59   13 o   8.8330   2.3987   21.972   63.592 -56.5816   82.059  140.081  100.619   6.2120   2.8756   11.454   3.8401 -5.241937 4.797422 
1 1 1    4   59   14 o   12.892   2.5865  183.158   65.574  176.336   81.196  195.953  111.195   12.654   3.2789   13.130   4.0011 -0.4763050 5.173013 
1 1 1    4   59   15 o   9.7537   2.5541   78.195   63.827   39.370   80.475  144.032  104.795   8.0498   3.2769   11.458   3.9186 -3.407920 5.108144 
1 1 1    4   59   16 o   9.1380   2.5540   44.393   68.059 -10.4369   85.770  137.612  111.835   7.0732   3.1373   11.203   4.0309 -4.129712 5.107910 
1 1 1    4   60    0 o   9.1340   3.1109   78.627   66.045   78.627   66.045   0.0000   0.0000   9.1340   3.1109  ?   ?       ?      ? 
1 1 1    4   60    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   60    2 o   42.552   1.0119  1764.82   83.588  1764.82   83.588   0.0000   0.0000   42.552   1.0119  ?   ?       ?      ? 
1 1 1    4   60    3 o   6.0107   2.6865 -24.0307   64.139 -24.0307   64.139   0.0000   0.0000   6.0107   2.6865  ?   ?       ?      ? 
1 1 1    4   60    4 o   35.762   1.0239  1272.69   63.375  1297.47   74.786  1209.57  119.368   36.469   1.0564   35.055   1.7542 1.413952 2.047730 
1 1 1    4   60    5 o   6.8168   2.1111 -13.6811   53.996   24.225   63.913 -108.1953  100.921   7.1973   2.9240   6.4364   3.0458 0.7609096 4.222175 
1 1 1    4   60    6 o   26.459   1.2950  731.604   58.319  784.126   69.262  603.662  108.102   28.306   1.2605   24.613   2.2626 3.693760 2.590061 
1 1 1    4   60    7 o   8.9659   2.2727   36.838   50.000  -7.0523   59.098  147.388   93.792   6.1022   2.6586   11.830   3.6868 -5.727527 4.545419 
1 1 1    4   60    8 o   18.793   1.6038  327.149   51.953  299.045   59.815  413.481  104.835   17.386   1.7724   20.201   2.6735 -2.814913 3.207586 
1 1 1    4   60    9 o   8.0751   2.3455   31.547   49.418   28.890   55.341   42.004  109.790   6.9386   2.7541   9.2116   3.7974 -2.273024 4.691021 
1 1 1    4   60   10 o   23.579   1.5652  564.880   67.115  580.817   82.485  533.660  115.450   24.216   1.7547   22.942   2.5924 1.274193 3.130394 
1 1 1    4   60   11 o   15.933   2.2407  266.450   65.128  260.162   80.771  278.136  110.111   15.975   2.6046   15.891   3.6468 0.8400917E-01 4.481470 
1 1 1    4   60   12 o   11.411   2.6463  128.533   65.221   98.621   80.097  187.393  112.357   9.8897   3.4238   12.933   4.0360 -3.043107 5.292584 
1 1 1    4   60   13 o   35.535   1.1325  1260.51   75.218  1280.20   94.900  1227.24  123.361   36.022   1.3572   35.047   1.8133 0.9753571 2.264918 
1 1 1    4   60   14 o   16.444   2.1627  271.853   65.870  210.829   82.040  382.555  110.498   13.855   3.1249   19.033   2.9907 -5.178269 4.325409 
1 1 1    4   60   15 o   12.033   2.6342  167.830   67.676  180.904   85.944  146.492  109.793   12.621   3.4219   11.444   4.0059 1.177723 5.268410 
1 1 1    4   60   16 o   24.474   1.5715  600.543   73.060  543.365   92.600  694.831  118.911   23.064   2.0682   25.883   2.3667 -2.818827 3.143049 
1 1 1    4   61    0 o   16.708   1.9329  275.890   62.691  275.890   62.691   0.0000   0.0000   16.708   1.9329  ?   ?       ?      ? 
1 1 1    4   61    1 o   15.678   2.0845  243.703   63.441  243.703   63.441   0.0000   0.0000   15.678   2.0845  ?   ?       ?      ? 
1 1 1    4   61    2 o   25.016   1.4000  613.385   67.983  613.385   67.983   0.0000   0.0000   25.016   1.4000  ?   ?       ?      ? 
1 1 1    4   61    3 o   7.2656   2.9370   26.539   64.134   26.539   64.134   0.0000   0.0000   7.2656   2.9370  ?   ?       ?      ? 
1 1 1    4   61    4 o   28.369   1.1408  762.341   58.224  716.406   69.333  872.236  107.240   27.039   1.3209   29.698   1.8602 -2.658401 2.281504 
1 1 1    4   61    5 f   15.825   2.0138  256.081   55.265  252.192   65.926  265.273  101.360   15.910   2.1347   15.740   3.4154 0.1691809 4.027656 
1 1 1    4   61    6 o   21.781   1.4621  450.751   57.388  416.933   68.276  532.154  105.928   20.541   1.7123   23.020   2.3705 -2.479059 2.924212 
1 1 1    4   61    7 o   7.0104   2.1788  -4.7135   52.867   7.3837   61.930 -37.2147  101.509   6.6005   2.7952   7.4203   3.3430 -0.8197961 4.357604 
1 1 1    4   61    8 o   22.317   1.4630  499.945   55.081  503.551   63.945  489.577  108.436   22.624   1.4560   22.009   2.5381 0.6150532 2.926072 
1 1 1    4   61    9 o   14.701   2.1458  204.991   52.093  180.807   59.350  286.131  108.713   13.201   2.4047   16.201   3.5545 -3.000004 4.291550 
1 1 1    4   61   10 o   17.608   2.0915  336.406   65.494  364.317   82.274  288.120  108.213   19.013   2.2292   16.204   3.5394 2.809231 4.182910 
1 1 1    4   61   11 o   12.006   2.5265  164.691   66.708  209.611   84.342   89.646  109.013   13.869   3.1982   10.143   3.9121 3.725801 5.053023 
1 1 1    4   61   12 o   7.6141   2.3641  -3.3142   65.848  -0.0223   84.123  -8.5221  105.809   7.2953   3.1753   7.9329   3.5033 -0.6376295 4.728171 
1 1 1    4   61   13 o   21.224   1.7500  433.406   69.658  342.639   86.253  603.619  118.117   18.259   2.4335   24.189   2.5156 -5.929737 3.500008 
1 1 1    4   61   14 o   8.2470   2.4596   28.426   65.325   14.814   82.317   51.579  107.360   7.4661   3.1940   9.0279   3.7414 -1.561868 4.919292 
1 1 1    4   61   15 o   19.127   2.0554  408.872   69.942  451.797   89.228  340.466  112.640   20.967   2.1922   17.286   3.4774 3.681702 4.110722 
1 1 1    4   62    0 o   8.5433   3.0025   67.626   61.709   67.626   61.709   0.0000   0.0000   8.5433   3.0025  ?   ?       ?      ? 
1 1 1    4   62    1 o   15.828   2.1687  249.886   66.633  249.886   66.633   0.0000   0.0000   15.828   2.1687  ?   ?       ?      ? 
1 1 1    4   62    2 o   9.6464   3.0822   94.686   65.177   94.686   65.177   0.0000   0.0000   9.6464   3.0822  ?   ?       ?      ? 
1 1 1    4   62    3 o   22.768   1.5478  510.589   68.409  510.589   68.409   0.0000   0.0000   22.768   1.5478  ?   ?       ?      ? 
1 1 1    4   62    4 f   9.8386   2.4606   59.515   55.552   19.617   64.719  171.185  108.274   7.0596   2.9135   12.618   3.9660 -5.558127 4.921140 
1 1 1    4   62    5 o   16.546   2.1634  307.139   59.373  333.922   70.132  239.385  111.547   18.327   1.9713   14.764   3.8517 3.563335 4.326849 
1 1 1    4   62    6 o   7.2942   2.2857 -12.9695   58.403 -13.6055   68.994 -11.3618  109.695   6.4303   2.8349   8.1581   3.5863 -1.727784 4.571460 
1 1 1    4   62    7 o   7.1335   2.1629   2.8807   54.406   40.913   62.879 -110.4035  108.522   7.6064   2.9607   6.6606   3.1538 0.9457593 4.325753 
1 1 1    4   62    8 o   17.547   1.9567  319.397   54.551  318.820   62.460  321.254  111.997   17.909   1.7967   17.186   3.4766 0.7232780 3.913375 
1 1 1    4   62    9 o   14.180   2.2531  181.195   54.693  137.883   62.795  317.301  111.316   11.339   2.8548   17.020   3.4865 -5.680786 4.506161 
1 1 1    4   62   10 o   7.5293   2.2855 -18.7986   49.072 -43.6667   54.651   84.687  111.486   5.0062   2.3275   10.052   3.9341 -5.046174 4.571056 
1 1 1    4   62   11 o   9.4137   2.2500   63.041   65.563  172.406   81.340 -139.7930  110.774   12.481   3.3051   6.3469   3.0540 6.133673 4.500092 
1 1 1    4   62   12 o   18.643   1.9131  353.268   66.690  329.560   82.740  397.231  112.673   17.919   2.3786   19.367   2.9971 -1.447378 3.826259 
1 1 1    4   62   13 o   9.2713   2.5666   35.122   68.743 -30.2798   84.672  161.589  117.743   6.6631   3.0227   11.879   4.1489 -5.216385 5.133220 
1 1 1    4   62   14 o   12.425   2.6839  179.587   69.617  172.490   89.316  190.574  111.125   12.210   3.5535   12.639   4.0231 -0.4294777 5.367761 
1 1 1    4   63    0 o   12.524   2.8014  165.386   66.399  165.386   66.399   0.0000   0.0000   12.524   2.8014  ?   ?       ?      ? 
1 1 1    4   63    1 o   12.775   2.8182  172.133   68.013  172.133   68.013   0.0000   0.0000   12.775   2.8182  ?   ?       ?      ? 
1 1 1    4   63    2 o   5.4163   2.5202 -53.2101   64.273 -53.2101   64.273   0.0000   0.0000   5.4163   2.5202  ?   ?       ?      ? 
1 1 1    4   63    3 o   28.029   1.3387  771.336   72.834  771.336   72.834   0.0000   0.0000   28.029   1.3387  ?   ?       ?      ? 
1 1 1    4   63    4 o   27.326   1.1019  737.407   56.377  739.750   71.033  733.419   92.672   27.443   1.3334   27.208   1.7546 0.2353878 2.203794 
1 1 1    4   63    5 o   17.368   1.8523  291.925   57.432  270.174   67.874  346.757  107.767   16.422   2.1292   18.313   3.0315 -1.891312 3.704530 
1 1 1    4   63    6 o   25.445   1.3976  679.988   62.239  734.695   75.440  563.393  110.133   27.305   1.4233   23.584   2.4056 3.720989 2.795133 
1 1 1    4   63    7 o   9.1665   2.4544   70.207   53.979   68.609   62.106   75.142  109.151   8.5094   3.0099   9.8236   3.8778 -1.314232 4.908848 
1 1 1    4   63    8 o   6.7484   2.1425 -14.7276   53.580   5.5329   61.479 -78.7227  109.263   6.4730   2.7645   7.0237   3.2740 -0.5507030 4.285068 
1 1 1    4   63    9 o   7.9845   2.3797   9.0649   55.213 -12.7426   63.475   76.862  111.919   6.1163   2.7066   9.8528   3.9148 -3.736452 4.759325 
1 1 1    4   63   10 o   8.8387   2.4796   45.311   55.423   26.084   63.392  107.684  114.178   7.0879   2.8995   10.590   4.0234 -3.501647 4.959295 
1 1 1    4   63   11 o   9.2998   2.5130   78.814   63.383  100.634   77.283   33.981  110.778   9.7983   3.3647   8.8014   3.7334 0.9969454 5.025934 
1 1 1    4   63   12 o   16.026   2.3513  281.089   68.634  259.042   85.788  320.297  114.402   15.361   2.9846   16.690   3.6341 -1.329435 4.702588 
1 1 1    4   64    0 o   9.1072   3.1071   81.631   65.887   81.631   65.887   0.0000   0.0000   9.1072   3.1071  ?   ?       ?      ? 
1 1 1    4   64    1 o   11.400   2.8796  138.592   63.742  138.592   63.742   0.0000   0.0000   11.400   2.8796  ?   ?       ?      ? 
1 1 1    4   64    2 o   15.533   2.2569  242.956   68.051  242.956   68.051   0.0000   0.0000   15.533   2.2569  ?   ?       ?      ? 
1 1 1    4   64    3 o   11.682   2.9738  146.490   67.609  146.490   67.609   0.0000   0.0000   11.682   2.9738  ?   ?       ?      ? 
1 1 1    4   64    4 o   20.562   1.7956  420.745   71.670  420.745   71.670   0.0000   0.0000   20.562   1.7956  ?   ?       ?      ? 
1 1 1    4   64    5 o   21.262   1.5644  457.914   59.874  460.803   72.522  451.727  106.112   21.525   1.7356   20.999   2.6032 0.5264282 3.128707 
1 1 1    4   64    6 o   9.8954   2.4848   93.053   54.248   89.689   62.530  103.287  109.074   9.3106   3.0235   10.480   3.9440 -1.169646 4.969528 
1 1 1    4   64    7 o   10.536   2.4181  120.474   53.982  131.159   62.444   88.868  107.396   11.020   2.8851   10.051   3.8812 0.9688015 4.836116 
1 1 1    4   64    8 o   9.3311   2.4725   67.874   55.425   47.405   65.113  121.718  105.607   7.8057   3.0199   10.857   3.9157 -3.050844 4.944934 
1 1 1    4   64    9 o   6.9849   2.2128 -11.0948   54.779  -6.8866   63.275 -23.6835  109.441   6.2147   2.7281   7.7552   3.4846 -1.540459 4.425517 
1 1 1    4   64   10 o   7.0509   2.1915   1.3226   55.059   23.130   64.067 -60.2865  107.685   6.9906   2.8931   7.1111   3.2926 -0.1204576 4.383056 
1 1 1    4   64   11 o   9.4496   2.3305   97.419   51.522  116.094   57.986   27.386  112.290   10.278   2.8209   8.6216   3.7104 1.655962 4.660962 
1 1 1    4   65    0 o   7.8757   3.0556   46.568   66.809   46.568   66.809   0.0000   0.0000   7.8757   3.0556  ?   ?       ?      ? 
1 1 1    4   65    1 o   7.5837   2.9965   38.987   65.233   38.987   65.233   0.0000   0.0000   7.5837   2.9965  ?   ?       ?      ? 
1 1 1    4   65    2 o   35.204   1.1748  1216.86   80.283  1216.86   80.283   0.0000   0.0000   35.204   1.1748  ?   ?       ?      ? 
1 1 1    4   65    3 o   22.248   1.6157  491.197   69.777  491.197   69.777   0.0000   0.0000   22.248   1.6157  ?   ?       ?      ? 
1 1 1    4   65    4 o   35.632   1.1995  1247.94   82.964  1247.94   82.964   0.0000   0.0000   35.632   1.1995  ?   ?       ?      ? 
1 1 1    4   65    5 o   14.571   2.4020  223.126   61.055  207.933   71.458  264.209  117.505   13.967   2.7334   15.175   3.9505 -1.207688 4.803937 
1 1 1    4   65    6 o   16.194   2.1926  279.504   55.844  277.682   63.142  286.044  119.659   16.615   1.9577   15.774   3.9240 0.8412199 4.385246 
1 1 1    4   65    7 o   10.101   2.5273  101.561   55.941  100.628   63.946  104.605  115.473   9.7016   3.0476   10.501   4.0326 -0.7993069 5.054688 
1 1 1    4   65    8 o   7.4621   2.2009   19.299   56.086   62.183   65.196 -102.7889  110.005   8.2519   3.0602   6.6723   3.1639 1.579668 4.401711 
1 1 1    4   65    9 f   9.0387   2.5366   55.253   56.939   38.997   64.549  112.256  120.873   7.4502   2.9690   10.627   4.1137 -3.177051 5.073166 
1 1 1    4   65   10 o   5.5874   1.9183 -99.0142   54.352 -101.2614   63.226 -92.6515  106.389   4.5740   2.2261   6.6008   3.1247 -2.026779 3.836522 
1 1 1    4   66    0 o   6.8356   2.8878   12.679   65.848   12.679   65.848   0.0000   0.0000   6.8356   2.8878  ?   ?       ?      ? 
1 1 1    4   66    1 o   24.021   1.5493  572.458   72.242  572.458   72.242   0.0000   0.0000   24.021   1.5493  ?   ?       ?      ? 
1 1 1    4   66    2 o   7.7860   3.1171   39.839   71.483   39.839   71.483   0.0000   0.0000   7.7860   3.1171  ?   ?       ?      ? 
1 1 1    4   66    3 o   10.089   3.1909  109.120   69.993  109.120   69.993   0.0000   0.0000   10.089   3.1909  ?   ?       ?      ? 
1 1 1    4   66    4 o   6.6159   2.9010  -5.8089   71.374  -5.8089   71.374   0.0000   0.0000   6.6159   2.9010  ?   ?       ?      ? 
1 1 1    4   66    5 o   9.5999   2.3796   82.941   55.488   44.176   71.163  143.060   88.622   7.8668   3.1229   11.333   3.5912 -3.466172 4.759111 
1 1 1    4   66    6 o   6.2559   2.0752 -47.7068   54.986 -31.6540   62.460 -102.9942  115.916   5.6297   2.5701   6.8822   3.2590 -1.252531 4.150444 
1 1 1    4   66    7 o   11.984   2.5223  158.592   56.674  155.721   64.407  168.439  119.289   11.915   2.8272   12.053   4.1780 -0.1381636 5.044615 
1 1 1    4   66    8 o   9.5685   2.5685   83.427   57.368   78.382   64.805  101.700  123.339   8.7630   3.0770   10.374   4.1135 -1.610924 5.137023 
1 1 1    4   67    0 o   11.450   3.0982  144.734   70.536  144.734   70.536   0.0000   0.0000   11.450   3.0982  ?   ?       ?      ? 
1 1 1    4   67    1 o   13.765   2.7877  204.569   71.936  204.569   71.936   0.0000   0.0000   13.765   2.7877  ?   ?       ?      ? 
1 1 1    4   67    2 o   8.5510   3.1584   68.168   69.312   68.168   69.312   0.0000   0.0000   8.5510   3.1584  ?   ?       ?      ? 
1 1 1    4   67    3 o   24.997   1.5901  623.288   77.155  623.288   77.155   0.0000   0.0000   24.997   1.5901  ?   ?       ?      ? 
1 1 1    4   67    4 o   5.4870   2.5953 -71.3896   73.105 -71.3896   73.105   0.0000   0.0000   5.4870   2.5953  ?   ?       ?      ? 
1 1 1    4   67    5 o   8.0613   3.1819   50.659   73.483   50.659   73.483   0.0000   0.0000   8.0613   3.1819  ?   ?       ?      ? 
1 1 1    4   67    6 o   9.8981   2.4329  108.125   55.534  124.334   63.199   53.200  116.336   10.586   2.9601   9.2103   3.8619 1.375542 4.865795 
1 1 1    4   68    0 o   5.3665   2.5424 -70.8079   70.701 -70.8079   70.701   0.0000   0.0000   5.3665   2.5424  ?   ?       ?      ? 
1 1 1    4   68    1 o   5.6243   2.6283 -55.1216   71.123 -55.1216   71.123   0.0000   0.0000   5.6243   2.6283  ?   ?       ?      ? 
1 1 1    4   68    2 o   14.626   2.6450  230.451   72.331  230.451   72.331   0.0000   0.0000   14.626   2.6450  ?   ?       ?      ? 
1 1 1    4   68    3 o   30.230   1.3406  906.484   78.667  906.484   78.667   0.0000   0.0000   30.230   1.3406  ?   ?       ?      ? 
1 1 1    5    0    0 o   68.670   0.7994  4580.88  106.494  4571.39  150.832  4590.31  150.379   68.599   1.1334   68.742   1.1276 -0.000000 0.000000 
1 1 1    5    0    1 o   10.578   0.6682  110.212   13.404  124.334   20.040   98.779   18.031   11.202   0.9366   9.9534   0.9533 -0.000000 0.000000 
1 1 1    5    0    2 o   43.450   0.5370  1834.17   45.258  1874.37   64.101  1794.21   63.909   43.925   0.7523   42.974   0.7667 -0.000000 0.000000 
1 1 1    5    0    3 o  188.784   1.5280 34695.96  550.305 35080.59  717.528 34146.55  857.556  190.069   1.9452  187.499   2.3570 -0.000000 0.000000 
1 1 1    5    0    4 o  343.041   1.8319 114269.90  1219.56 115333.40  1741.05 113245.30  1708.83  344.608   2.6030  341.475   2.5783 -0.000000 0.000000 
1 1 1    5    0    5 o   18.386   0.5884  328.985   20.840  296.508   28.628  365.596   30.396   17.416   0.8515   19.357   0.8122 -0.000000 0.000000 
1 1 1    5    0    6 o   75.401   1.8116  5541.98  264.331  5620.96  369.858  5459.53  377.914   75.958   2.5147   74.844   2.6083 -0.000000 0.000000 
1 1 1    5    0    7 o  236.487   1.5091 54303.93  692.592 53646.85  971.843 54982.05  987.285  235.034   2.1305  237.941   2.1379 -0.000000 0.000000 
1 1 1    5    0    8 o  174.597   1.5759 29606.28  514.479 29597.74  646.308 29621.04  850.014  174.580   1.9076  174.615   2.5089 -0.000000 0.000000 
1 1 1    5    0    9 o  271.634   1.6090 71644.16  848.284 71743.45  1198.81 71544.59  1200.50  271.823   2.2723  271.446   2.2787 -0.000000 0.000000 
1 1 1    5    0   10 o  282.319   1.6422 77388.13  899.836 77542.01  1274.14 77235.02  1270.99  282.599   2.3230  282.039   2.3218 -0.000000 0.000000 
1 1 1    5    0   11 o  211.564   1.7126 43540.98  689.484 43099.26  1084.65 43840.51  893.161  210.648   2.6535  212.479   2.1660 -0.000000 0.000000 
1 1 1    5    0   12 o  197.491   1.4866 37875.21  569.777 37919.99  805.329 37830.33  806.245  197.608   2.1000  197.374   2.1049 -0.000000 0.000000 
1 1 1    5    0   13 o  128.964   1.2231 16147.22  306.002 16644.88  437.237 15669.47  428.402  130.912   1.7212  127.016   1.7383 -0.000000 0.000000 
1 1 1    5    0   14 o  338.571   2.3547 111354.00  1547.20 112421.10  2188.96 110288.70  2187.18  340.194   3.3154  336.949   3.3447 -0.000000 0.000000 
1 1 1    5    0   15 o  108.595   1.2359 11457.18  260.371 11470.04  369.051 11444.43  367.396  108.655   1.7508  108.534   1.7448 -0.000000 0.000000 
1 1 1    5    0   16 o   46.291   0.9454  2081.38   84.701  2175.88  123.299  1996.94  116.557   47.286   1.3457   45.297   1.3282 -0.000000 0.000000 
1 1 1    5    0   17 o  105.320   1.1710 10775.88  239.248 10944.60  340.649 10611.65  336.091  106.134   1.6543  104.506   1.6577 -0.000000 0.000000 
1 1 1    5    0   18 o   14.638   2.6230  248.566   64.662  304.951   91.542  192.417   91.351   16.936   3.0885   12.340   4.2405 -0.000000 0.000000 
1 1 1    5    0   19 o   76.102   2.6752  5670.71  392.628  5373.76  544.091  5993.36  567.146   74.006   3.8104   78.199   3.7559 -0.000000 0.000000 
1 1 1    5    0   20 o  198.029   1.7646 38292.95  671.976 36888.72  1010.29 39407.04  899.892  194.729   2.6738  201.328   2.3033 -0.000000 0.000000 
1 1 1    5    0   21 o  227.473   1.7392 50329.36  767.769 50483.05  1083.41 50174.31  1088.18  227.824   2.4504  227.123   2.4688 -0.000000 0.000000 
1 1 1    5    0   22 f  107.644   1.4009 11253.46  292.257 10780.15  403.658 11774.92  423.696  105.268   1.9770  110.021   1.9853 -0.000000 0.000000 
1 1 1    5    0   23 o   80.644   1.1619  6309.17  181.463  5980.13  248.900  6682.49  265.122   78.404   1.6370   82.885   1.6493 -0.000000 0.000000 
1 1 1    5    0   24 o  119.916   1.5435 13998.23  358.981 13682.24  503.416 14325.15  512.046  118.537   2.1895  121.295   2.1763 -0.000000 0.000000 
1 1 1    5    0   25 o  100.130   1.3519  9762.63  262.537  9699.56  373.120  9824.48  369.474   99.807   1.9275  100.453   1.8963 -0.000000 0.000000 
1 1 1    5    0   26 o   37.753   1.3378  1401.49   96.730  1356.55  144.626  1437.86  130.116   37.174   2.0178   38.332   1.7571 -0.000000 0.000000 
1 1 1    5    0   27 o   26.551   1.9368  706.499   94.067  917.356  139.590  531.088  127.318   30.384   2.4012   22.718   3.0396 -0.000000 0.000000 
1 1 1    5    0   28 o   74.443   1.1789  5405.68  170.160  5414.39  241.490  5397.08  239.803   74.502   1.6717   74.384   1.6626 -0.000000 0.000000 
1 1 1    5    0   29 o   13.634   3.6331  252.041   90.509  234.186  133.725  267.135  122.952   12.874   5.3602   14.394   4.9056 -0.000000 0.000000 
1 1 1    5    0   30 o   25.524   1.9268  660.309   91.926  770.139  135.869  567.590  124.837   27.589   2.5894   23.459   2.8540 -0.000000 0.000000 
1 1 1    5    0   31 o   11.899   3.1828  176.756   91.386  352.244  133.651   22.668  125.237   17.021   4.6779   6.7767   4.3171 -0.000000 0.000000 
1 1 1    5    0   32 o   21.032   2.6232  489.033   96.534  518.796  134.492  457.404  138.642   21.932   3.4030   20.132   3.9930 -0.000000 0.000000 
1 1 1    5    0   33 o   34.847   1.6501  1230.52  110.107  1144.23  157.334  1313.35  154.145   33.564   2.4446   36.129   2.2170 -0.000000 0.000000 
1 1 1    5    1    0 o  213.024   1.5662 44133.91  638.656 44522.67  838.368 43596.35  985.837  214.149   2.0168  211.898   2.3967 2.250809 3.132319 
1 1 1    5    1    1 f   32.245   0.3963  1017.44   23.397  1034.60   28.794  984.084   40.143   32.649   0.4543   31.841   0.6495 0.8073082 0.7925971 
1 1 1    5    1    2 o  169.076   1.0568 27744.58  345.085 27691.37  464.936 27809.86  514.934  168.897   1.4181  169.255   1.5673 -0.3582001 2.113607 
1 1 1    5    1    3 o  196.718   1.0212 37582.63  388.569 37376.57  573.341 37757.67  528.440  196.218   1.5053  197.219   1.3803 -1.000961 2.042327 
1 1 1    5    1    4 o   99.580   0.6962  9625.68  134.568  9573.06  189.951  9678.71  190.668   99.307   0.9854   99.853   0.9837 -0.5465240 1.392319 
1 1 1    5    1    5 o   84.497   0.6407  6929.04  105.077  7065.01  149.903  6797.70  147.332   85.312   0.9052   83.682   0.9070 1.629532 1.281397 
1 1 1    5    1    6 o   88.469   0.6530  7594.92  112.117  7756.88  160.319  7439.89  156.852   89.392   0.9239   87.546   0.9230 1.845520 1.305930 
1 1 1    5    1    7 o  222.532   1.0946 48056.17  471.055 48355.64  698.101 47805.84  638.260  223.165   1.6115  221.899   1.4818 1.265930 2.189181 
1 1 1    5    1    8 o  159.967   0.9329 24840.17  289.665 24938.15  411.550 24743.97  407.773  160.279   1.3228  159.654   1.3157 0.6250458 1.865713 
1 1 1    5    1    9 o  152.378   0.9864 22589.41  288.977 22914.10  384.521 22168.04  438.039  153.641   1.2893  151.116   1.4933 2.525040 1.972837 
1 1 1    5    1   10 o  223.222   1.1311 48352.23  488.114 48170.63  660.518 48570.71  724.506  222.762   1.5275  223.682   1.6686 -0.9199677 2.262158 
1 1 1    5    1   11 o  138.891   0.8734 18725.31  235.472 18715.48  333.019 18735.14  332.996  138.854   1.2355  138.927   1.2348 -0.7295227E-01 1.746752 
1 1 1    5    1   12 f  134.820   0.9678 17664.82  249.840 17520.38  385.754 17769.19  327.907  134.343   1.4792  135.297   1.2485 -0.9539337 1.935680 
1 1 1    5    1   13 o  228.259   1.2977 50589.40  571.610 50553.11  855.994 50618.61  767.916  228.182   1.9325  228.337   1.7325 -0.1555786 2.595416 
1 1 1    5    1   14 f  261.381   1.1727 66327.16  595.012 66636.67  844.012 66021.34  838.959  261.987   1.6596  260.775   1.6573 1.212341 2.345428 
1 1 1    5    1   15 o   53.589   0.6479  2784.97   67.355  2855.47   97.506  2720.63   93.153   54.237   0.9261   52.941   0.9064 1.295898 1.295895 
1 1 1    5    1   16 o  168.088   1.0118 27430.89  330.117 27727.19  469.953 27142.27  463.820  168.984   1.4327  167.192   1.4291 1.791733 2.023586 
1 1 1    5    1   17 o  161.179   1.1211 25219.44  349.748 25364.59  515.226 25095.38  476.301  161.606   1.6424  160.753   1.5264 0.8528748 2.242145 
1 1 1    5    1   18 o   76.075   0.7027  5617.40  103.752  5702.65  148.288  5535.64  145.215   76.640   0.9967   75.510   0.9907 1.130463 1.405344 
1 1 1    5    1   19 f   49.648   0.6688  2392.49   64.420  2369.06   89.431  2417.75   92.875   49.396   0.9327   49.901   0.9588 -0.5044861 1.337601 
1 1 1    5    1   20 o   71.307   0.7105  4937.69   98.349  4957.70  138.732  4917.47  139.443   71.452   1.0002   71.162   1.0095 0.2908401 1.421070 
1 1 1    5    1   21 o   82.616   0.7895  6629.00  126.607  6591.71  177.780  6667.37  180.348   82.381   1.1117   82.851   1.1214 -0.4708786 1.579036 
1 1 1    5    1   22 o   83.816   0.8326  6822.94  135.455  6929.98  193.509  6720.10  189.673   84.461   1.1803   83.172   1.1748 1.288498 1.665289 
1 1 1    5    1   23 o  116.317   1.0551 13153.52  238.242 13178.54  337.303 13128.62  336.549  116.428   1.4924  116.207   1.4919 0.2206345 2.110276 
1 1 1    5    1   24 o   35.192   0.9525  1203.96   64.985  1122.43   91.051  1288.62   92.778   33.976   1.3805   36.408   1.3128 -2.431652 1.905035 
1 1 1    5    1   25 o   87.213   0.8768  7395.41  148.437  7475.27  209.937  7315.58  209.905   87.684   1.2334   86.741   1.2466 0.9432831 1.753658 
1 1 1    5    1   26 o   56.799   0.7984  3135.93   88.022  3072.01  123.762  3201.36  125.214   56.213   1.1342   57.385   1.1241 -1.172062 1.596834 
1 1 1    5    1   27 o   71.494   0.8176  4972.24  113.457  4876.01  159.170  5071.63  161.766   70.790   1.1583   72.197   1.1543 -1.406708 1.635232 
1 1 1    5    1   28 o   24.872   1.3534  610.554   64.685  704.395   91.043  514.898   91.919   26.836   1.7477   22.909   2.0670 3.926991 2.706822 
1 1 1    5    1   29 o   27.820   1.2140  758.504   65.551  742.938   91.955  774.588   93.470   27.529   1.7208   28.110   1.7129 -0.5815411 2.428004 
1 1 1    5    1   30 o   27.931   1.2442  767.882   67.144  671.049   92.934  873.627   97.115   26.073   1.8362   29.790   1.6794 -3.717138 2.488367 
1 1 1    5    1   31 o   35.579   1.0468  1245.60   72.294  1239.62  101.945  1251.65  102.535   35.493   1.4796   35.665   1.4810 -0.1713905 2.093504 
1 1 1    5    1   32 o   24.313   1.4540  595.205   68.394  541.462   96.782  648.816   96.664   23.176   2.1513   25.451   1.9566 -2.275671 2.907954 
1 1 1    5    1   33 o   8.7246   2.5498   45.440   70.302   37.592  101.596   52.650   97.381   8.6137   3.6102   8.8354   3.6016 -0.2217426 5.099505 
1 1 1    5    2    0 o  420.472   1.8997 171620.91  1550.03 173772.20  2226.09 169596.20  2159.57  423.027   2.7109  417.917   2.6620 5.110321 3.799365 
1 1 1    5    2    1 o  219.493   1.3471 46715.32  566.534 46421.74  742.593 47124.14  876.308  218.674   1.7494  220.313   2.0490 -1.639420 2.694248 
1 1 1    5    2    2 o  137.859   0.9220 18474.18  246.215 18903.33  339.704 17999.24  357.370  139.549   1.2540  136.169   1.3520 3.379303 1.844038 
1 1 1    5    2    3 o  177.358   0.9894 30506.53  339.391 30873.17  503.406 30201.02  459.533  178.333   1.4542  176.383   1.3421 1.949402 1.978887 
1 1 1    5    2    4 o   93.235   0.6798  8441.34  122.994  8236.40  174.775  8642.40  173.116   92.113   0.9774   94.357   0.9451 -2.243378 1.359669 
1 1 1    5    2    5 o  141.950   0.8484 19561.75  233.776 19495.36  329.789 19628.81  331.436  141.708   1.1989  142.192   1.2008 -0.4841156 1.696811 
1 1 1    5    2    6 o  119.054   0.8694 13813.44  198.318 13414.82  303.687 14109.82  261.864  117.549   1.3309  120.560   1.1189 -3.011276 1.738771 
1 1 1    5    2    7 o  261.001   1.1068 66135.50  560.724 66664.96  797.868 65618.80  788.187  262.033   1.5686  259.969   1.5619 2.063751 2.213571 
1 1 1    5    2    8 o   78.958   0.7071  6056.25  105.221  6032.44  170.460  6070.90  133.742   78.832   1.1139   79.085   0.8712 -0.2527924 1.414138 
1 1 1    5    2    9 f  120.450   0.8972 14055.44  205.964 13938.79  266.521 14228.39  324.526  119.832   1.1458  121.068   1.3809 -1.235809 1.794316 
1 1 1    5    2   10 o  214.521   1.1106 44666.15  460.576 44601.44  623.372 44743.93  683.476  214.351   1.4982  214.690   1.6400 -0.3391113 2.221278 
1 1 1    5    2   11 o   73.326   0.7243  5199.75   99.394  5147.40  124.650  5291.13  164.704   72.822   0.8818   73.830   1.1492 -1.008278 1.448537 
1 1 1    5    2   12 o  363.545   1.5038 128319.40  1035.64 128344.50  1656.48 128303.30  1326.96  363.560   2.3472  363.530   1.8804 0.2996826E-01 3.007518 
1 1 1    5    2   13 o  193.577   1.1210 36352.14  418.534 36609.26  629.452 36148.38  560.349  194.187   1.6698  192.966   1.4959 1.221191 2.241919 
1 1 1    5    2   14 o  150.786   1.0526 22060.47  307.276 21911.50  418.840 22234.11  452.178  150.236   1.4362  151.335   1.5392 -1.099609 2.105198 
1 1 1    5    2   15 o  231.162   1.3860 51884.77  621.881 52551.73  885.512 51235.71  873.554  232.628   1.9610  229.696   1.9592 2.931122 2.771944 
1 1 1    5    2   16 o  141.021   1.0159 19325.35  277.709 19000.15  401.768 19622.87  384.293  139.883   1.4796  142.160   1.3926 -2.277405 2.031873 
1 1 1    5    2   17 o  187.177   1.0709 34022.23  389.096 34288.86  552.119 33759.15  548.429  187.906   1.5137  186.449   1.5153 1.457184 2.141788 
1 1 1    5    2   18 o  220.550   1.1594 47247.14  496.350 46879.57  699.536 47619.83  704.379  219.686   1.6404  221.413   1.6388 -1.727859 2.318758 
1 1 1    5    2   19 o   12.638   1.8424  160.236   44.610  104.346   62.114  219.772   64.108   10.244   2.9582   15.033   2.1969 -4.788503 3.684793 
1 1 1    5    2   20 o   92.271   0.8009  8264.95  143.418  8450.71  205.492  8088.54  200.257   93.281   1.1348   91.260   1.1304 2.020538 1.601786 
1 1 1    5    2   21 o  107.141   0.9182 11152.36  190.960 11000.01  269.410 11306.17  270.711  106.405   1.3043  107.877   1.2927 -1.471550 1.836429 
1 1 1    5    2   22 o   74.530   0.7816  5395.94  113.066  5320.27  160.025  5471.37  159.773   74.008   1.1139   75.052   1.0967 -1.044502 1.563157 
1 1 1    5    2   23 o  130.996   1.1674 16687.09  296.847 16498.94  416.934 16880.52  422.737  130.248   1.6490  131.745   1.6530 -1.496918 2.334897 
1 1 1    5    2   24 o  110.211   1.0171 11809.33  217.561 12002.05  310.487 11623.42  304.945  111.094   1.4398  109.328   1.4369 1.765945 2.034103 
1 1 1    5    2   25 o   64.523   0.7943  4045.63   99.452  4186.42  141.699  3908.94  139.617   65.630   1.1122   63.416   1.1342 2.214050 1.588534 
1 1 1    5    2   26 o   61.894   0.7969  3724.13   95.750  3704.28  135.090  3744.16  135.734   61.728   1.1274   62.059   1.1267 -0.3314476 1.593899 
1 1 1    5    2   27 o   25.551   1.3456  639.400   66.491  575.369   93.927  703.719   94.137   24.257   1.9947   26.845   1.8065 -2.587376 2.691162 
1 1 1    5    2   28 o   22.645   1.4967  503.390   65.786  503.227   92.433  503.558   93.650   22.643   2.1029   22.647   2.1302 -0.4152298E-02 2.993384 
1 1 1    5    2   29 o   44.217   0.8740  1908.12   74.997  1863.68  106.485  1951.87  105.645   43.702   1.2552   44.732   1.2167 -1.029240 1.748082 
1 1 1    5    2   30 o   29.532   1.1532  856.304   65.463  1026.99   95.296  703.779   90.083   32.340   1.5180   26.724   1.7365 5.616001 2.306447 
1 1 1    5    2   31 o   25.094   1.4087  624.477   68.107  735.039   99.338  526.409   93.557   27.217   1.8802   22.971   2.0981 4.245634 2.817314 
1 1 1    5    2   32 o   44.814   0.9281  1977.57   80.724  1957.07  114.639  1997.73  113.688   44.578   1.3248   45.050   1.3000 -0.4728584 1.856115 
1 1 1    5    2   33 o   21.945   1.6654  495.277   70.827  483.802  102.329  505.830   98.133   21.659   2.4338   22.230   2.2741 -0.5707951 3.330893 
1 1 1    5    3    0 o  145.090   0.9872 20428.13  277.992 20854.54  397.344 20019.30  389.067  146.573   1.3965  143.608   1.3957 2.965149 1.974373 
1 1 1    5    3    1 o  298.057   1.6093 86191.27  910.589 85945.02  1170.41 86568.91  1449.41  297.529   2.0265  298.585   2.5007 -1.055267 3.218694 
1 1 1    5    3    2 o  276.549   1.3683 74254.39  731.780 74286.39  992.888 74216.34  1082.72  276.617   1.8491  276.480   2.0174 0.1374512 2.736595 
1 1 1    5    3    3 o  226.046   1.2026 49637.29  525.406 49932.08  711.923 49284.65  778.623  226.786   1.6172  225.305   1.7803 1.481155 2.405121 
1 1 1    5    3    4 o  178.979   0.9941 31095.74  344.212 31155.71  508.501 31045.01  467.641  179.136   1.4623  178.822   1.3472 0.3142853 1.988290 
1 1 1    5    3    5 o   65.429   0.6360  4146.25   77.083  4187.07  130.527  4124.39   95.519   65.675   1.0239   65.184   0.7549 0.4906921 1.272058 
1 1 1    5    3    6 o   87.202   0.6464  7378.19  109.400  7554.14  156.671  7210.76  152.831   88.216   0.9149   86.188   0.9135 2.028259 1.292862 
1 1 1    5    3    7 o  135.940   0.8422 17939.32  222.239 17728.28  313.479 18152.56  315.115  135.136   1.1950  136.744   1.1871 -1.607681 1.684429 
1 1 1    5    3    8 o  192.538   1.0651 35982.78  395.843 35937.23  532.114 36039.21  592.328  192.404   1.4247  192.672   1.5837 -0.2684479 2.130250 
1 1 1    5    3    9 o  334.252   1.2625 108447.50  819.075 109475.50  1168.98 107456.00  1148.00  335.808   1.7933  332.697   1.7776 3.111176 2.525009 
1 1 1    5    3   10 o  143.611   0.8905 20019.69  248.257 20035.35  350.561 20003.94  351.617  143.668   1.2570  143.555   1.2618 0.1127167 1.781066 
1 1 1    5    3   11 o  343.983   1.3098 114836.60  869.868 114521.90  1170.05 115225.60  1300.64  343.461   1.7549  344.505   1.9449 -1.044708 2.619628 
1 1 1    5    3   12 o  325.858   1.4365 103133.50  907.195 103810.00  1250.03 102380.70  1318.65  326.991   1.9693  324.725   2.0919 2.265320 2.873067 
1 1 1    5    3   13 o  264.226   1.3281 67572.05  662.532 68691.79  1073.67 66883.48  841.947  265.978   2.0795  262.474   1.6525 3.504486 2.656121 
1 1 1    5    3   14 o  215.157   1.1668 44959.82  485.013 44774.70  721.307 45112.59  655.262  214.750   1.7303  215.564   1.5659 -0.8147430 2.333688 
1 1 1    5    3   15 o  128.794   0.9372 16104.03  234.318 16119.78  331.638 16088.33  331.115  128.857   1.3258  128.732   1.3250 0.1257324 1.874454 
1 1 1    5    3   16 o  180.898   1.0441 31776.04  366.647 31785.83  519.624 31766.34  517.417  180.926   1.4795  180.871   1.4737 0.5514526E-01 2.088247 
1 1 1    5    3   17 o  149.738   0.9785 21772.45  284.406 21666.99  402.965 21877.13  401.462  149.376   1.3897  150.100   1.3778 -0.7232056 1.956962 
1 1 1    5    3   18 o   83.712   0.7450  6803.71  121.063  6853.83  171.490  6753.92  170.931   84.019   1.0515   83.404   1.0558 0.6147461 1.490041 
1 1 1    5    3   19 o   57.594   0.6676  3220.35   74.635  3186.92  104.874  3254.65  106.238   57.291   0.9430   57.897   0.9453 -0.6055107 1.335225 
1 1 1    5    3   20 o   56.830   0.6937  3134.37   76.511  3051.04  106.776  3222.30  109.687   56.054   0.9813   57.605   0.9809 -1.551739 1.387497 
1 1 1    5    3   21 o  187.141   1.2697 34100.85  459.992 33397.45  671.771 34721.82  631.180  185.307   1.8675  188.975   1.7206 -3.667831 2.539320 
1 1 1    5    3   22 o  108.934   0.9982 11526.68  211.029 11779.73  302.765 11287.59  294.296  110.095   1.4167  107.772   1.4067 2.323380 1.996469 
1 1 1    5    3   23 o  144.973   1.2794 20448.18  360.048 20593.92  511.469 20305.01  506.932  145.485   1.8111  144.462   1.8077 1.023453 2.558874 
1 1 1    5    3   24 o   93.340   0.9042  8468.84  163.825  8415.24  230.970  8523.11  232.405   93.043   1.2788   93.637   1.2786 -0.5944748 1.808356 
1 1 1    5    3   25 o   64.482   0.8005  4040.36  100.186  4107.50  143.183  3975.97  140.232   65.006   1.1347   63.957   1.1295 1.048923 1.601027 
1 1 1    5    3   26 o   57.307   0.8078  3191.17   89.794  3149.96  124.336  3236.09  129.818   56.922   1.1252   57.692   1.1592 -0.7701721 1.615514 
1 1 1    5    3   27 o   87.168   0.8813  7396.46  149.122  7402.37  209.894  7390.44  211.900   87.204   1.2399   87.131   1.2528 0.7292938E-01 1.762672 
1 1 1    5    3   28 o   35.891   1.0154  1253.55   70.643  1173.40   97.214  1343.22  102.832   34.677   1.4442   37.104   1.4277 -2.426865 2.030750 
1 1 1    5    3   29 o   19.259   1.6933  367.914   63.071  403.409   89.175  332.385   89.218   20.209   2.2732   18.309   2.5103 1.899992 3.386603 
1 1 1    5    3   30 o   41.649   0.9290  1697.71   74.943  1548.90  104.574  1854.83  107.454   39.762   1.3549   43.536   1.2715 -3.774109 1.858035 
1 1 1    5    3   31 o   25.520   1.3774  646.321   68.106  704.064   98.261  592.934   94.483   26.630   1.9009   24.411   1.9939 2.219269 2.754817 
1 1 1    5    3   32 o   17.450   2.0445  320.541   67.500  292.839   95.552  348.135   95.367   16.504   3.0962   18.395   2.6707 -1.890923 4.088942 
1 1 1    5    3   33 o   32.811   1.1847  1082.79   74.887  999.827  109.946  1154.59  102.282   31.561   1.7946   34.061   1.5470 -2.499752 2.369326 
1 1 1    5    4    0 o  143.406   0.9544 19956.63  264.618 19893.84  358.216 20032.04  392.595  143.158   1.2890  143.653   1.4079 -0.4947510 1.908854 
1 1 1    5    4    1 o  139.259   0.8982 18821.07  242.769 18525.54  340.530 19126.52  346.195  138.147   1.2698  140.370   1.2705 -2.222916 1.796302 
1 1 1    5    4    2 o  129.990   0.8664 16402.46  218.613 16399.31  308.099 16405.66  310.245  129.978   1.2211  130.003   1.2294 -0.2505493E-01 1.732770 
1 1 1    5    4    3 o  186.165   1.0520 33645.45  380.172 33477.13  536.233 33815.56  539.068  185.697   1.4876  186.633   1.4880 -0.9362488 2.104032 
1 1 1    5    4    4 o  115.686   0.8757 13011.92  190.488 12915.60  310.194 13070.23  241.359  115.339   1.3855  116.034   1.0716 -0.6954346 1.751493 
1 1 1    5    4    5 f  142.952   0.9337 19831.67  256.307 19899.34  392.616 19781.42  338.353  143.161   1.4128  142.743   1.2211 0.4185181 1.867365 
1 1 1    5    4    6 o  102.714   0.7271 10234.36  144.787 10374.85  210.796 10108.89  199.215  103.380   1.0504  102.047   1.0057 1.333023 1.454211 
1 1 1    5    4    7 o   77.653   0.6863  5860.92  100.484  5885.04  127.867  5821.96  162.485   77.864   0.8460   77.443   1.0809 0.4208221 1.372556 
1 1 1    5    4    8 f  448.955   1.4233 195704.00  1240.38 195409.20  1752.79 195999.80  1755.53  448.616   2.0127  449.294   2.0129 -0.6773682 2.846535 
1 1 1    5    4    9 o  220.105   1.0616 47028.54  453.560 46878.87  641.068 47178.55  641.795  219.754   1.5028  220.455   1.4997 -0.7013550 2.123107 
1 1 1    5    4   10 o  370.414   1.3061 133199.20  939.132 133430.09  1329.75 132969.50  1326.52  370.734   1.8477  370.093   1.8465 0.6404724 2.612193 
1 1 1    5    4   11 o  212.064   1.0618 43654.41  437.096 43919.54  620.229 43392.81  616.086  212.704   1.5021  211.424   1.5011 1.279312 2.123645 
1 1 1    5    4   12 o  103.996   0.8743 10496.62  172.518 10506.13  274.743 10490.43  221.668  104.033   1.3605  103.958   1.0984 0.7511139E-01 1.748565 
1 1 1    5    4   13 o  116.780   0.8300 13237.33  188.150 13106.53  264.868 13370.55  267.318  116.198   1.1743  117.362   1.1734 -1.164543 1.660028 
1 1 1    5    4   14 o   74.844   0.7015  5440.66  101.843  5331.27  145.930  5544.52  142.199   74.110   1.0144   75.578   0.9693 -1.468010 1.403012 
1 1 1    5    4   15 o  169.138   1.2584 27887.26  398.621 27362.22  653.439 28198.47  503.071  167.855   2.0054  170.421   1.5207 -2.566193 2.516780 
1 1 1    5    4   16 o  169.363   1.1870 27847.59  390.178 28342.04  558.311 27375.58  545.501  170.831   1.6836  167.894   1.6738 2.937317 2.374040 
1 1 1    5    4   17 o  112.169   1.0006 12158.08  211.232 11979.70  266.799 12457.70  345.788  111.078   1.2373  113.259   1.5728 -2.181778 2.001171 
1 1 1    5    4   18 o  124.885   0.9423 15144.97  228.421 15226.35  324.922 15065.46  321.184  125.216   1.3368  124.554   1.3284 0.6628876 1.884567 
1 1 1    5    4   19 o   31.119   0.8168  940.905   49.265  873.550   69.268  1009.85   70.080   29.991   1.1898   32.248   1.1195 -2.256105 1.633688 
1 1 1    5    4   20 o   62.007   0.6827  3731.51   82.148  3603.23  114.818  3866.03  117.580   60.916   0.9710   63.098   0.9600 -2.182602 1.365412 
1 1 1    5    4   21 o  104.645   0.9088 10636.42  184.579 10811.46  263.458 10467.69  258.674  105.490   1.2866  103.799   1.2838 1.690453 1.817526 
1 1 1    5    4   22 o   89.222   1.0614  7655.63  171.990  7509.92  208.165  7969.04  305.297   87.921   1.2197   90.524   1.7374 -2.602882 2.122771 
1 1 1    5    4   23 o   82.012   1.1804  6539.47  187.881  6721.86  268.488  6364.45  263.005   83.133   1.6637   80.892   1.6749 2.241440 2.360802 
1 1 1    5    4   24 o   17.781   1.8011  319.992   58.590  407.324   82.505  231.147   83.217   20.444   2.0789   15.117   2.9417 5.327273 3.602119 
1 1 1    5    4   25 o  121.191   1.1032 14291.39  259.500 14487.93  370.582 14102.29  363.496  122.007   1.5647  120.374   1.5556 1.632828 2.206410 
1 1 1    5    4   26 o   46.244   0.8605  2080.04   77.199  2066.47  110.957  2092.77  107.478   46.096   1.2400   46.392   1.1935 -0.2958870 1.721039 
1 1 1    5    4   27 o   47.730   0.8581  2216.89   79.464  2124.23  111.503  2312.53  113.276   46.715   1.2296   48.745   1.1971 -2.030254 1.716122 
1 1 1    5    4   28 o   48.518   0.8396  2291.96   79.058  2344.66  113.379  2242.08  110.294   49.060   1.1905   47.976   1.1843 1.084202 1.679271 
1 1 1    5    4   29 o   66.141   0.8116  4264.72  104.193  4220.53  146.250  4310.27  148.477   65.793   1.1451   66.488   1.1504 -0.6944275 1.623183 
1 1 1    5    4   30 o   18.860   1.7868  356.691   65.397  364.690   92.206  348.594   92.768   19.082   2.4893   18.638   2.5640 0.4434090 3.573632 
1 1 1    5    4   31 o   34.754   1.0633  1189.41   71.724  1207.58  101.139  1171.03  101.730   35.027   1.4875   34.482   1.5198 0.5448189 2.126622 
1 1 1    5    4   32 o   39.193   0.9893  1513.23   75.197  1605.60  108.602  1428.16  104.222   40.346   1.3867   38.040   1.4114 2.305634 1.978629 
1 1 1    5    4   33 o   32.614   1.1743  1071.84   73.657  946.200  106.855  1185.58  101.672   30.700   1.7930   34.528   1.5169 -3.828091 2.348628 
1 1 1    5    5    0 o  250.667   1.5675 60937.74  745.587 60678.57  957.259 61337.45  1188.80  249.999   1.9725  251.335   2.4366 -1.335068 3.134981 
1 1 1    5    5    1 o  202.036   1.1448 39639.56  446.554 39492.88  666.347 39759.14  601.644  201.694   1.7019  202.377   1.5315 -0.6830597 2.289544 
1 1 1    5    5    2 o  207.712   1.0983 41882.29  442.839 41670.17  623.371 42098.41  629.207  207.181   1.5500  208.242   1.5565 -1.061691 2.196660 
1 1 1    5    5    3 o  211.584   1.1746 43523.12  480.422 42807.64  709.511 44128.90  652.858  209.973   1.7407  213.196   1.5775 -3.222794 2.349192 
1 1 1    5    5    4 o   23.658   0.3622  543.385   16.595  544.824   22.727  541.740   24.288   23.692   0.4942   23.625   0.5296 0.6722450E-01 0.7243549 
1 1 1    5    5    5 o  128.786   0.8460 16094.02  211.141 16233.51  308.241 15970.72  289.808  129.310   1.2280  128.261   1.1640 1.049225 1.691990 
1 1 1    5    5    6 o  173.015   1.0384 29054.90  348.468 28874.08  482.381 29252.22  503.941  172.453   1.4410  173.577   1.4956 -1.123550 2.076844 
1 1 1    5    5    7 f   89.602   0.6723  7793.16  116.936  7770.70  164.801  7815.93  165.949   89.472   0.9489   89.732   0.9527 -0.2599945 1.344624 
1 1 1    5    5    8 o  142.519   0.8893 19714.25  246.015 19409.69  345.774 20026.47  350.101  141.404   1.2597  143.633   1.2557 -2.229218 1.778630 
1 1 1    5    5    9 o   72.773   0.5916  5140.23   83.568  5047.31  117.836  5234.25  118.535   72.111   0.8418   73.434   0.8315 -1.323318 1.183251 
1 1 1    5    5   10 o  138.120   0.8696 18516.37  233.144 18262.42  328.219 18775.00  331.232  137.164   1.2327  139.076   1.2269 -1.911682 1.739220 
1 1 1    5    5   11 o  102.970   0.7489 10291.76  149.700 10258.23  211.041 10325.71  212.382  102.802   1.0575  103.139   1.0608 -0.3375397 1.497894 
1 1 1    5    5   12 o  104.650   0.7666 10626.78  155.703 10400.70  217.837 10862.93  222.637  103.513   1.0841  105.788   1.0842 -2.275200 1.533204 
1 1 1    5    5   13 o  110.163   0.8262 11784.43  176.578 11907.62  246.188 11653.91  253.406  110.756   1.1451  109.569   1.1914 1.186829 1.652475 
1 1 1    5    5   14 o   98.631   0.7639  9443.20  146.260  9450.76  207.551  9435.75  206.142   98.671   1.0836   98.592   1.0771 0.7829285E-01 1.527862 
1 1 1    5    5   15 o  330.930   1.5557 105991.20  986.696 108688.00  1530.16 104071.80  1290.94  334.503   2.3565  327.356   2.0315 7.147156 3.111312 
1 1 1    5    5   16 o  115.398   0.8547 12928.81  191.451 13005.58  271.384 12852.75  270.125  115.739   1.2079  115.057   1.2095 0.6821136 1.709345 
1 1 1    5    5   17 o  185.838   1.0748 33538.04  387.741 33626.42  548.939 33450.04  547.762  186.082   1.5197  185.593   1.5204 0.4887390 2.149681 
1 1 1    5    5   18 o  129.564   1.2564 16225.78  295.195 16077.45  357.625 16542.92  522.928  128.662   1.4319  130.466   2.0648 -1.803635 2.512725 
1 1 1    5    5   19 o   72.713   0.6844  5132.88   96.564  5164.32  138.579  5103.20  134.630   72.929   0.9789   72.497   0.9567 0.4322128 1.368729 
1 1 1    5    5   20 o   51.738   0.6800  2599.19   68.280  2516.87   96.115  2683.05   97.015   50.911   0.9725   52.565   0.9508 -1.654396 1.360078 
1 1 1    5    5   21 o  137.811   1.0291 18456.28  275.304 18412.39  387.682 18500.92  391.017  137.646   1.4509  137.975   1.4599 -0.3294220 2.058295 
1 1 1    5    5   22 o   75.405   0.7802  5523.15  114.199  5519.24  162.274  5526.98  160.741   75.379   1.1090   75.432   1.0978 -0.5342102E-01 1.560440 
1 1 1    5    5   23 f   57.779   0.7565  3240.96   84.816  3336.05  121.736  3151.25  118.236   58.602   1.0702   56.955   1.0694 1.646194 1.512909 
1 1 1    5    5   24 o   87.095   0.8626  7370.58  145.820  7494.43  208.475  7251.94  204.037   87.811   1.2230   86.379   1.2168 1.431656 1.725264 
1 1 1    5    5   25 f   78.739   0.8360  6026.18  127.757  6072.57  182.502  5981.59  178.902   79.036   1.1895   78.443   1.1749 0.5927505 1.671934 
1 1 1    5    5   26 o   48.727   0.8506  2309.17   80.437  2250.64  113.751  2367.72  113.758   48.108   1.2181   49.345   1.1876 -1.237793 1.701212 
1 1 1    5    5   27 o   96.057   0.9342  8985.19  174.176  9037.78  248.272  8934.23  244.417   96.332   1.3277   95.782   1.3146 0.5502014 1.868374 
1 1 1    5    5   28 o   70.019   0.8095  4770.03  109.970  4926.43  158.719  4625.64  152.508   71.121   1.1497   68.917   1.1400 2.203407 1.619039 
1 1 1    5    5   29 f   63.668   0.8097  3952.46  100.073  3931.32  141.399  3973.67  141.651   63.497   1.1472   63.839   1.1431 -0.3421555 1.619438 
1 1 1    5    5   30 o   28.924   1.2089  823.402   67.836  858.674   97.865  790.783   94.113   29.520   1.7078   28.328   1.7115 1.191916 2.417808 
1 1 1    5    5   31 o   12.142   2.5460  158.644   64.490  145.413   92.179  171.328   90.257   11.697   3.6565   12.587   3.5437 -0.8897715 5.091929 
1 1 1    5    5   32 o   21.612   1.6035  466.763   66.424  582.514   99.832  374.812   88.978   24.033   2.1399   19.190   2.3886 4.843624 3.206958 
1 1 1    5    5   33 o   17.293   2.1040  323.778   68.412  285.705   98.580  359.148   95.016   16.033   3.2780   18.552   2.6384 -2.518431 4.207924 
1 1 1    5    6    0 o   96.405   0.7122  9021.29  133.287  9005.15  188.230  9037.51  188.764   96.319   1.0067   96.492   1.0078 -0.1728745 1.424470 
1 1 1    5    6    1 o   79.840   0.6279  6186.63   97.316  6254.94  138.495  6120.02  136.773   80.275   0.8888   79.404   0.8873 0.8704758 1.255900 
1 1 1    5    6    2 o  366.146   1.5093 130178.10  1072.75 130633.00  1518.49 129724.80  1515.70  366.785   2.1327  365.508   2.1363 1.277496 3.018624 
1 1 1    5    6    3 f   53.330   0.5600  2787.12   55.928  2865.95   70.908  2657.35   90.981   54.338   0.6722   52.322   0.8958 2.016079 1.119970 
1 1 1    5    6    4 o  317.124   1.4826 97660.59  912.500 96603.48  1275.12 98770.19  1306.39  315.367   2.0829  318.881   2.1105 -3.513885 2.965224 
1 1 1    5    6    5 o  148.378   1.0890 21302.36  301.465 21110.46  376.592 21644.71  503.007  147.459   1.3156  149.297   1.7356 -1.838684 2.177915 
1 1 1    5    6    6 o   59.253   0.5070  3408.00   58.310  3386.82   82.678  3428.97   82.249   59.069   0.7210   59.436   0.7129 -0.3665047 1.013959 
1 1 1    5    6    7 o  157.477   0.9428 24079.85  287.594 23993.32  420.103 24156.17  394.538  157.209   1.3766  157.744   1.2885 -0.5348206 1.885520 
1 1 1    5    6    8 o  231.801   1.0724 52157.71  482.527 52578.39  686.241 51746.32  678.617  232.726   1.5190  230.877   1.5142 1.848679 2.144811 
1 1 1    5    6    9 o  176.286   0.9695 30165.46  331.757 30387.76  470.581 29945.80  467.783  176.931   1.3701  175.640   1.3720 1.291397 1.938988 
1 1 1    5    6   10 o  175.868   0.9879 30020.80  337.240 30390.69  479.569 29658.93  474.335  176.940   1.3962  174.796   1.3979 2.143250 1.975781 
1 1 1    5    6   11 o  148.600   0.9198 21433.78  265.308 21689.52  376.963 21182.77  373.466  149.479   1.2991  147.722   1.3024 1.756546 1.839557 
1 1 1    5    6   12 o  285.244   1.1878 78980.19  657.641 79761.15  936.648 78220.86  923.579  286.635   1.6834  283.854   1.6762 2.780853 2.375557 
1 1 1    5    6   13 o  241.746   1.1404 56736.01  535.165 56880.05  757.904 56592.79  755.776  242.052   1.6130  241.440   1.6126 0.6119690 2.280842 
1 1 1    5    6   14 o  208.747   1.3603 42209.98  537.331 41860.51  685.726 42765.93  864.885  207.640   1.7013  209.854   2.1231 -2.213959 2.720659 
1 1 1    5    6   15 o   97.956   0.8039  9321.12  152.690  9462.19  211.878  9168.69  220.238   98.728   1.1056   97.183   1.1674 1.544220 1.607847 
1 1 1    5    6   16 o   51.427   0.6396  2571.64   63.688  2502.52   92.780  2633.24   87.582   50.772   0.9414   52.082   0.8663 -1.310005 1.279300 
1 1 1    5    6   17 o  190.063   1.2398 35032.45  455.091 34561.52  611.634 35616.53  681.157  188.641   1.6703  191.486   1.8325 -2.844711 2.479502 
1 1 1    5    6   18 o   61.179   0.6515  3634.30   77.360  3583.79  109.788  3684.10  109.023   60.756   0.9309   61.601   0.9117 -0.8447533 1.302992 
1 1 1    5    6   19 o   41.416   0.6886  1666.93   55.310  1620.52   79.209  1711.08   77.267   40.852   0.9988   41.979   0.9482 -1.126900 1.377208 
1 1 1    5    6   20 o  101.762   0.8496 10054.81  167.802 10215.64  240.361  9901.89  234.369  102.556   1.2074  100.969   1.1958 1.586479 1.699291 
1 1 1    5    6   21 o  102.885   0.9474 10285.00  189.218 10227.11  267.011 10343.39  268.183  102.594   1.3407  103.176   1.3390 -0.5817108 1.894869 
1 1 1    5    6   22 o   66.268   0.7404  4264.92   95.232  4295.90  135.887  4235.02  133.503   66.505   1.0526   66.032   1.0415 0.4724579 1.480786 
1 1 1    5    6   23 o   75.075   0.7826  5475.23  114.050  5513.62  162.333  5437.80  160.270   75.335   1.1101   74.815   1.1036 0.5193710 1.565269 
1 1 1    5    6   24 o   40.884   0.8607  1624.59   68.308  1616.06   96.850  1633.04   96.358   40.776   1.2236   40.991   1.2110 -0.2142601 1.721499 
1 1 1    5    6   25 o   76.326   0.8273  5663.76  122.558  5598.51  174.094  5727.86  172.561   75.889   1.1818   76.763   1.1580 -0.8740387 1.654596 
1 1 1    5    6   26 o  133.589   1.2004 17386.97  311.268 17415.20  441.906 17359.17  438.513  133.695   1.7027  133.482   1.6924 0.2121124 2.400715 
1 1 1    5    6   27 o   53.153   1.0154  2777.02   96.503  2692.05  173.147  2815.30  116.229   52.515   1.6985   53.791   1.1131 -1.276184 2.030752 
1 1 1    5    6   28 o   22.778   1.4305  511.059   62.505  416.055   87.237  611.280   89.600   20.573   2.1844   24.982   1.8476 -4.408808 2.861015 
1 1 1    5    6   29 o   31.607   1.0915  978.012   66.913  973.706   96.453  982.006   92.904   31.535   1.5757   31.680   1.5107 -0.1453228 2.182902 
1 1 1    5    6   30 o   17.515   1.9743  325.084   62.975  237.999   92.509  400.293   85.970   14.979   3.2731   20.050   2.2088 -5.071760 3.948638 
1 1 1    5    6   31 o   8.0940   2.3945   22.818   63.043   18.221   91.430   26.985   87.045   8.0729   3.4063   8.1151   3.3664 -0.4227924E-01 4.789085 
1 1 1    5    6   32 o   28.714   1.2515  830.748   68.797  752.926  103.045  893.335   92.409   27.413   1.9364   30.015   1.5860 -2.601765 2.503058 
1 1 1    5    6   33 o   24.867   1.4399  632.807   68.760  575.099  101.667  681.456   93.347   23.718   2.2082   26.016   1.8484 -2.298046 2.879747 
1 1 1    5    7    0 o   53.592   0.4692  2780.57   48.711  2681.77   66.383  2895.84   71.700   52.564   0.6506   54.621   0.6762 -2.057590 0.9383756 
1 1 1    5    7    1 o  273.069   1.5894 72341.86  824.980 72086.27  1062.86 72729.21  1308.44  272.475   2.0095  273.662   2.4631 -1.186646 3.178792 
1 1 1    5    7    2 o  120.848   0.8570 14179.32  200.675 14140.94  292.674 14213.38  275.682  120.693   1.2492  121.003   1.1737 -0.3100662 1.714074 
1 1 1    5    7    3 o  308.505   1.4697 92431.80  880.092 91944.41  1235.55 92933.81  1253.93  307.681   2.0687  309.330   2.0883 -1.649048 2.939444 
1 1 1    5    7    4 o  199.390   1.1558 38554.48  444.175 38187.55  592.562 39025.07  671.053  198.314   1.5393  200.466   1.7244 -2.152283 2.311511 
1 1 1    5    7    5 o  118.408   0.9057 13625.19  204.620 13536.26  319.805 13686.82  266.253  118.077   1.3953  118.738   1.1552 -0.6604080 1.811384 
1 1 1    5    7    6 o  128.289   0.8441 15988.71  209.970 15706.10  302.762 16250.59  291.446  127.195   1.2262  129.382   1.1604 -2.187416 1.688250 
1 1 1    5    7    7 o   43.042   0.5237  1811.25   41.953  1845.30   52.617  1751.82   69.509   43.602   0.6217   42.483   0.8429 1.119495 1.047332 
1 1 1    5    7    8 o   93.562   0.7022  8500.54  127.483  8329.66  181.754  8666.02  178.857   92.636   1.0107   94.488   0.9751 -1.852081 1.404452 
1 1 1    5    7    9 o  420.348   1.3512 171558.00  1102.33 172926.59  1548.29 170151.20  1569.79  422.050   1.8898  418.647   1.9317 3.402740 2.702362 
1 1 1    5    7   10 o  240.445   1.1009 56122.07  513.851 55977.59  725.578 56267.44  727.816  240.134   1.5566  240.755   1.5573 -0.6208649 2.201850 
1 1 1    5    7   11 o  105.804   0.8656 10816.75  173.570 10641.95  221.710 11093.50  278.968  104.706   1.0908  106.902   1.3443 -2.195793 1.731199 
1 1 1    5    7   12 o  218.794   1.0951 46467.74  465.083 46900.81  661.636 46044.75  653.887  219.801   1.5507  217.786   1.5467 2.015106 2.190188 
1 1 1    5    7   13 o  214.143   1.1539 44529.15  477.419 44619.59  645.174 44419.69  709.786  214.386   1.5503  213.900   1.7094 0.4860382 2.307726 
1 1 1    5    7   14 o  202.603   1.1740 39853.42  461.710 40169.18  654.125 39539.91  651.794  203.403   1.6567  201.803   1.6639 1.599777 2.347984 
1 1 1    5    7   15 o   74.832   0.8266  5430.72  114.824  5417.22  142.757  5455.45  193.246   74.703   0.9845   74.962   1.3280 -0.2585449 1.653118 
1 1 1    5    7   16 o  105.776   0.8135 10862.69  167.025 10861.70  237.057 10863.66  235.372  105.771   1.1546  105.781   1.1463 -0.9803772E-02 1.626948 
1 1 1    5    7   17 o  292.665   1.3498 83086.88  761.584 84204.68  1149.54 82212.44  1016.73  294.402   2.0115  290.927   1.8004 3.475708 2.699507 
1 1 1    5    7   18 o   90.044   0.8155  7869.91  142.515  7659.65  199.427  8089.34  203.735   88.815   1.1567   91.273   1.1499 -2.457428 1.631035 
1 1 1    5    7   19 o   77.791   0.7116  5876.64  107.444  5807.47  152.455  5944.91  151.447   77.336   1.0155   78.246   0.9971 -0.9103546 1.423200 
1 1 1    5    7   20 o   36.646   0.7526  1304.43   53.495  1297.33   77.100  1311.01   74.285   36.550   1.0867   36.743   1.0415 -0.1931534 1.505208 
1 1 1    5    7   21 o   92.436   0.8315  8297.61  149.180  8125.86  208.918  8476.29  213.089   91.461   1.1767   93.412   1.1751 -1.951431 1.663028 
1 1 1    5    7   22 o   61.158   0.7290  3633.45   86.520  3609.93  123.746  3655.94  121.014   60.964   1.0457   61.353   1.0161 -0.3885269 1.458037 
1 1 1    5    7   23 o   50.884   0.7406  2515.49   73.133  2445.42  103.271  2585.99  103.581   50.173   1.0603   51.596   1.0342 -1.423012 1.481165 
1 1 1    5    7   24 o   43.179   0.8336  1810.75   69.842  1885.60  100.056  1739.63   97.534   44.049   1.1702   42.309   1.1876 1.740170 1.667218 
1 1 1    5    7   25 o   49.045   0.8144  2337.92   77.458  2343.32  112.169  2333.00  107.092   49.098   1.1769   48.993   1.1261 0.1050606 1.628836 
1 1 1    5    7   26 o   48.329   0.8402  2277.11   78.556  2187.29  114.509  2356.96  107.970   47.422   1.2439   49.236   1.1297 -1.813881 1.680319 
1 1 1    5    7   27 o   19.918   1.6168  391.360   62.108  363.772   91.068  415.349   84.921   19.244   2.4378   20.593   2.1244 -1.348545 3.233584 
1 1 1    5    7   28 o   32.923   1.0289  1058.62   65.712  1042.61   94.270  1073.76   91.646   32.677   1.4862   33.169   1.4233 -0.4926987 2.057836 
1 1 1    5    7   29 o   51.324   0.8108  2566.74   80.745  2642.47  116.323  2496.32  112.172   52.053   1.1512   50.595   1.1421 1.458023 1.621640 
1 1 1    5    7   30 o   27.711   1.2107  767.017   64.217  671.173   94.925  847.896   87.200   26.050   1.8772   29.371   1.5294 -3.321800 2.421371 
1 1 1    5    7   31 o   15.216   2.2203  246.193   63.417  281.836   91.735  213.565   87.768   16.343   3.0022   14.088   3.2720 2.255018 4.440578 
1 1 1    5    7   32 o   24.446   1.4495  612.086   67.403  504.255   98.869  705.726   92.133   22.293   2.2847   26.599   1.7844 -4.306425 2.898962 
1 1 1    5    7   33 o   23.917   1.5107  576.955   69.560  690.637  103.935  484.720   93.618   26.072   2.0536   21.762   2.2161 4.309765 3.021376 
1 1 1    5    8    0 o   43.637   0.3901  1848.02   33.040  1895.32   46.998  1801.79   46.458   44.189   0.5479   43.085   0.5555 1.104172 0.7802277 
1 1 1    5    8    1 o  158.338   1.0087 24331.16  308.704 24424.52  458.609 24253.80  417.437  158.614   1.4895  158.062   1.3605 0.5520172 2.017307 
1 1 1    5    8    2 o  188.406   1.0537 34461.59  385.347 34266.97  541.814 34660.79  548.167  187.868   1.4857  188.945   1.4946 -1.076126 2.107372 
1 1 1    5    8    3 o  129.209   0.8959 16186.78  223.961 15955.64  303.534 16462.98  331.809  128.199   1.2197  130.219   1.3127 -2.019638 1.791857 
1 1 1    5    8    4 f  209.421   1.1044 42584.04  448.957 43070.98  636.625 42102.27  633.232  210.613   1.5572  208.230   1.5666 2.382446 2.208833 
1 1 1    5    8    5 o  186.847   1.0597 33894.82  384.334 34193.25  545.291 33600.22  541.787  187.664   1.4969  186.029   1.5003 1.634644 2.119322 
1 1 1    5    8    6 o   86.494   0.6631  7264.38  111.258  7194.93  159.851  7329.64  154.949   86.093   0.9565   86.896   0.9186 -0.8026581 1.326161 
1 1 1    5    8    7 o  266.148   1.1797 68754.99  606.237 68918.31  905.782 68622.47  815.937  266.430   1.7514  265.865   1.5810 0.5649719 2.359406 
1 1 1    5    8    8 o  472.953   1.5690 217053.70  1423.96 218063.20  2187.93 216311.91  1875.55  473.893   2.3784  472.013   2.0470 1.880524 3.137982 
1 1 1    5    8    9 o  312.549   1.1869 94825.21  720.090 94130.70  1013.52 95533.16  1023.28  311.393   1.6767  313.704   1.6804 -2.311035 2.373817 
1 1 1    5    8   10 o  332.438   1.2486 107264.70  804.654 106859.50  1108.21 107716.60  1170.23  331.776   1.7207  333.100   1.8098 -1.324371 2.497253 
1 1 1    5    8   11 o  142.824   0.8966 19801.12  248.582 19788.50  351.685 19813.73  351.411  142.778   1.2689  142.869   1.2671 -0.9103394E-01 1.793225 
1 1 1    5    8   12 o  541.589   1.5665 284724.59  1646.26 287702.59  2365.95 281929.41  2292.14  544.331   2.2391  538.847   2.1913 5.484253 3.132990 
1 1 1    5    8   13 o  209.126   1.1808 42455.30  479.266 42644.67  684.218 42272.88  671.528  209.584   1.6818  208.669   1.6578 0.9148254 2.361532 
1 1 1    5    8   14 o  150.099   1.0156 21871.03  295.893 22014.45  421.185 21731.28  415.779  150.584   1.4409  149.613   1.4316 0.9713593 2.031179 
1 1 1    5    8   15 o  172.727   1.1029 28995.02  366.306 29165.58  486.533 28771.80  556.573  173.318   1.4461  172.135   1.6657 1.183456 2.205832 
1 1 1    5    8   16 f   72.240   0.6944  5061.08   97.305  4937.35  134.518  5196.88  140.925   71.315   0.9717   73.165   0.9922 -1.849960 1.388797 
1 1 1    5    8   17 o  165.428   1.1149 26578.19  357.997 26469.67  507.862 26685.36  504.721  165.091   1.5847  165.764   1.5685 -0.6722717 2.229734 
1 1 1    5    8   18 o   31.657   0.9995  997.214   55.133  918.704  102.030  1029.59   65.523   30.750   1.7093   32.564   1.0366 -1.813511 1.999029 
1 1 1    5    8   19 o   39.739   0.7112  1535.19   54.439  1518.52   82.026  1548.31   72.777   39.544   1.0686   39.933   0.9389 -0.3881836 1.422421 
1 1 1    5    8   20 o   35.700   0.7868  1239.07   54.444  1210.64   78.677  1265.20   75.418   35.306   1.1480   36.094   1.0764 -0.7881508 1.573674 
1 1 1    5    8   21 o  131.071   1.0910 16698.40  277.582 16726.96  393.047 16669.99  392.074  131.183   1.5435  130.959   1.5423 0.2234497 2.181979 
1 1 1    5    8   22 o  110.356   1.0068 11836.42  215.668 11733.12  304.820 11939.95  305.181  109.873   1.4292  110.838   1.4184 -0.9653397 2.013569 
1 1 1    5    8   23 o   91.298   0.8755  8098.38  155.133  8185.01  221.791  8015.40  217.067   91.776   1.2450   90.821   1.2312 0.9546661 1.750958 
1 1 1    5    8   24 o   76.614   0.8114  5703.10  120.638  5745.51  172.730  5662.71  168.562   76.892   1.1572   76.337   1.1375 0.5545120 1.622702 
1 1 1    5    8   25 o  106.588   0.9970 11050.84  206.273 10925.92  290.700 11177.52  292.740  105.981   1.4130  107.196   1.4068 -1.214363 1.993944 
1 1 1    5    8   26 o   68.976   0.7946  4626.98  106.308  4593.69  153.018  4658.04  147.801   68.734   1.1469   69.219   1.1000 -0.4847183 1.589104 
1 1 1    5    8   27 o   33.899   1.1934  1124.95   72.775  1113.77  129.847  1130.08   87.874   33.739   1.9826   34.060   1.3291 -0.3216248 2.386894 
1 1 1    5    8   28 o   9.7808   2.4587   84.218   58.954   68.308   87.341   97.533   79.902   9.4092   3.5315   10.153   3.4219 -0.7433348 4.917402 
1 1 1    5    8   29 o   37.842   0.9472  1394.69   69.436  1466.75  102.303  1333.14   94.550   38.741   1.3604   36.942   1.3185 1.798931 1.894451 
1 1 1    5    8   30 o   21.038   1.5925  451.077   63.535  363.924   93.375  526.216   86.700   19.030   2.5276   23.046   1.9380 -4.015835 3.185081 
1 1 1    5    8   31 o   18.471   1.7720  345.104   63.425  347.221   92.573  343.232   87.072   18.503   2.5774   18.440   2.4325 0.6326866E-01 3.544004 
1 1 1    5    8   32 o   26.120   1.3532  682.086   68.479  706.393  100.661  661.145   93.430   26.535   1.9543   25.705   1.8724 0.8295364 2.706478 
1 1 1    5    8   33 o   43.958   1.1492  1913.07   94.277  1865.57  117.533  1998.77  157.878   43.367   1.3962   44.549   1.8256 -1.182274 2.298314 
1 1 1    5    9    0 o  149.497   0.9643 21702.91  279.001 21621.55  410.430 21772.80  380.412  149.236   1.4168  149.759   1.3086 -0.5237427 1.928626 
1 1 1    5    9    1 o   96.404   0.7163  9021.69  134.049  9027.91  189.298  9015.43  189.852   96.437   1.0112   96.371   1.0149 0.6672668E-01 1.432640 
1 1 1    5    9    2 o   75.829   0.6061  5577.58   89.140  5494.56  123.053  5669.25  129.304   75.236   0.8426   76.422   0.8716 -1.186401 1.212289 
1 1 1    5    9    3 o   49.885   0.4417  2415.55   42.768  2421.46   60.168  2409.51   60.803   49.947   0.6206   49.823   0.6287 0.1234932 0.8833740 
1 1 1    5    9    4 o  122.237   0.8747 14483.35  206.957 14794.93  305.751 14219.88  281.157  123.448   1.2759  121.026   1.1967 2.420982 1.749331 
1 1 1    5    9    5 o  170.544   1.0186 28232.61  337.183 27837.93  472.651 28641.63  481.161  169.331   1.4379  171.758   1.4431 -2.426773 2.037232 
1 1 1    5    9    6 o  158.723   0.9853 24452.44  303.538 24145.68  424.837 24772.33  433.839  157.706   1.3877  159.739   1.3991 -2.033051 1.970620 
1 1 1    5    9    7 o  381.827   1.4730 141534.50  1080.54 141733.91  1651.37 141385.09  1428.88  382.051   2.2267  381.602   1.9289 0.4489746 2.945999 
1 1 1    5    9    8 o  733.073   1.8732 522052.41  2643.53 520299.50  4000.76 523410.81  3521.88  731.956   2.8157  734.190   2.4712 -2.233337 3.746337 
1 1 1    5    9    9 o  245.568   1.1602 58527.92  550.432 58663.38  819.639 58416.66  742.868  245.825   1.7176  245.311   1.5600 0.5134735 2.320330 
1 1 1    5    9   10 o  190.764   1.0186 35321.57  377.183 34884.83  530.027 35769.68  536.874  189.570   1.4403  191.959   1.4408 -2.389130 2.037262 
1 1 1    5    9   11 o   42.852   0.5215  1781.82   43.362  1802.24   62.292  1762.62   60.397   43.090   0.7447   42.614   0.7301 0.4761925 1.042917 
1 1 1    5    9   12 o  169.833   1.1221 28020.55  369.402 28398.45  510.905 27606.58  534.735  171.035   1.5388  168.631   1.6336 2.403671 2.244219 
1 1 1    5    9   13 o   82.735   0.6834  6645.52  109.743  6555.95  155.960  6733.36  154.450   82.183   0.9776   83.288   0.9553 -1.104691 1.366871 
1 1 1    5    9   14 o   83.772   0.7024  6812.46  114.219  6739.53  161.511  6885.42  161.548   83.324   0.9985   84.221   0.9881 -0.8971329 1.404814 
1 1 1    5    9   15 o  181.522   1.1282 31995.02  397.536 31984.41  563.161 32005.56  561.245  181.492   1.5985  181.552   1.5925 -0.6027222E-01 2.256394 
1 1 1    5    9   16 o  290.996   1.4680 82164.92  825.451 81179.25  1112.43 83372.55  1231.33  289.070   1.9825  292.922   2.1655 -3.852661 2.935905 
1 1 1    5    9   17 o  223.608   1.3959 48576.29  605.893 48474.54  853.480 48679.68  860.284  223.372   1.9683  223.843   1.9799 -0.4708710 2.791801 
1 1 1    5    9   18 o   82.665   0.7461  6635.25  119.715  6639.17  169.994  6631.39  168.620   82.689   1.0591   82.641   1.0511 0.4817200E-01 1.492121 
1 1 1    5    9   19 o   47.392   0.8292  2194.01   69.777  2149.54  127.151  2213.18   83.468   47.040   1.3925   47.743   0.9006 -0.7031059 1.658341 
1 1 1    5    9   20 o   57.935   0.6781  3259.95   76.220  3237.18  109.443  3281.40  106.213   57.738   0.9765   58.132   0.9412 -0.3940201 1.356252 
1 1 1    5    9   21 o   66.505   0.7377  4296.54   95.209  4243.10  135.583  4348.52  133.729   66.096   1.0567   66.913   1.0295 -0.8171387 1.475347 
1 1 1    5    9   22 o   96.951   0.9089  9133.38  171.032  9124.59  243.575  9141.92  240.212   96.904   1.2949   96.997   1.2758 -0.9362793E-01 1.817763 
1 1 1    5    9   23 o   32.417   0.9489  1022.71   59.635  986.836   85.530  1056.64   83.192   31.862   1.3829   32.972   1.2998 -1.110622 1.897828 
1 1 1    5    9   24 o   88.615   0.8700  7631.90  149.648  7692.36  212.701  7572.65  210.582   88.962   1.2317   88.267   1.2290 0.6947098 1.739976 
1 1 1    5    9   25 o   84.474   0.8672  6937.79  142.182  6802.52  200.732  7073.99  201.421   83.646   1.2362   85.301   1.2164 -1.654991 1.734358 
1 1 1    5    9   26 o   37.127   0.9456  1339.13   67.796  1361.94  101.553  1320.79   91.058   37.408   1.3985   36.847   1.2731 0.5606461 1.891181 
1 1 1    5    9   27 o   62.954   0.7898  3856.86   96.425  3855.20  139.419  3858.38  133.505   62.938   1.1412   62.971   1.0922 -0.3313828E-01 1.579580 
1 1 1    5    9   28 o   25.421   1.2463  641.481   60.630  542.702   88.290  729.635   83.406   23.520   1.9337   27.321   1.5727 -3.800735 2.492515 
1 1 1    5    9   29 o   37.506   0.9460  1375.17   68.304  1370.66  103.342  1378.67   91.021   37.434   1.4221   37.577   1.2478 -0.1425591 1.891974 
1 1 1    5    9   30 o   33.153   1.0470  1095.79   66.329  956.917   98.665  1210.31   89.596   31.165   1.6309   35.141   1.3134 -3.976126 2.094031 
1 1 1    5    9   31 o   9.4985   2.5152   78.518   62.524   77.222   91.049   79.675   86.011   9.5216   3.5988   9.4754   3.5147 0.4619312E-01 5.030340 
1 1 1    5    9   32 o   9.0147   2.4300   42.947   64.620  135.858   96.573 -32.3784   86.954   11.227   3.7621   6.8025   3.0766 4.424331 4.859920 
1 1 1    5    9   33 o   28.398   1.8520  838.941  101.303  992.102  149.213  707.984  137.974   30.888   2.4886   25.908   2.7435 4.980240 3.704014 
1 1 1    5   10    0 o  207.046   1.1053 41619.86  444.212 41335.77  624.772 41910.30  631.708  206.332   1.5599  207.760   1.5663 -1.428635 2.210580 
1 1 1    5   10    1 o  174.042   1.0643 29432.60  358.039 29657.39  485.485 29164.56  530.144  174.774   1.4310  173.310   1.5758 1.464340 2.128592 
1 1 1    5   10    2 o  110.954   0.8641 11881.22  181.509 11641.30  231.224 12266.43  292.989  109.506   1.0878  112.402   1.3428 -2.895691 1.728100 
1 1 1    5   10    3 o  146.512   0.9370 20840.36  266.469 21037.71  377.539 20644.46  376.154  147.203   1.3212  145.820   1.3289 1.382538 1.873910 
1 1 1    5   10    4 o   83.503   0.6506  6768.30  105.456  6747.79  148.372  6789.24  149.915   83.375   0.9167   83.631   0.9234 -0.2555695 1.301224 
1 1 1    5   10    5 o   85.932   0.6600  7168.00  110.090  7205.10  155.754  7130.95  155.628   86.154   0.9313   85.709   0.9354 0.4445419 1.319966 
1 1 1    5   10    6 o  273.010   1.2496 72367.66  662.223 72334.69  935.000 72400.84  938.057  272.948   1.7647  273.072   1.7696 -0.1244812 2.499153 
1 1 1    5   10    7 o  260.571   1.1787 65865.20  592.703 66375.67  889.073 65456.85  795.182  261.476   1.7516  259.666   1.5776 1.809784 2.357306 
1 1 1    5   10    8 o  212.102   1.1102 43633.25  454.989 44063.68  678.280 43281.11  613.490  213.051   1.6401  211.154   1.4967 1.897171 2.220361 
1 1 1    5   10    9 o   68.841   0.5968  4597.83   79.724  4676.05  114.594  4524.45  110.987   69.408   0.8505   68.274   0.8374 1.134369 1.193602 
1 1 1    5   10   10 o  227.250   1.1515 50182.24  506.084 49543.68  746.026 50726.61  688.814  225.907   1.7012  228.592   1.5523 -2.685135 2.302989 
1 1 1    5   10   11 o   56.956   0.5663  3148.64   62.609  3161.80   88.717  3135.59   88.368   57.074   0.8008   56.837   0.8009 0.2370758 1.132578 
1 1 1    5   10   12 o  296.881   1.2133 85566.68  699.186 86017.41  992.174 85122.04  985.455  297.657   1.7171  296.104   1.7145 1.553131 2.426510 
1 1 1    5   10   13 o   91.668   0.7287  8155.23  129.639  8219.26  185.719  8094.38  181.046   92.019   1.0397   91.317   1.0213 0.7015610 1.457447 
1 1 1    5   10   14 o  163.759   1.0677 26035.11  339.371 26118.91  483.283 25953.57  476.671  164.019   1.5179  163.499   1.5019 0.5194244 2.135342 
1 1 1    5   10   15 o  130.706   0.8934 16586.54  226.669 16531.49  320.660 16641.51  320.456  130.489   1.2659  130.923   1.2609 -0.4336548 1.786743 
1 1 1    5   10   16 o   55.773   0.8031  3086.28   83.084  3267.65  104.977  2782.20  135.926   58.017   0.9321   53.529   1.3081 4.488163 1.606256 
1 1 1    5   10   17 o  126.360   1.0787 15555.36  259.730 15768.67  337.808 15246.92  406.206  127.431   1.3656  125.290   1.6702 2.141052 2.157419 
1 1 1    5   10   18 o   66.790   0.6829  4327.31   88.446  4414.70  128.518  4248.68  121.906   67.430   0.9818   66.151   0.9494 1.279259 1.365758 
1 1 1    5   10   19 o   90.992   0.7826  8044.32  138.158  7883.43  197.272  8199.20  193.551   90.098   1.1279   91.887   1.0851 -1.788689 1.565157 
1 1 1    5   10   20 o   89.885   1.0057  7799.75  165.064  7996.20  288.936  7704.57  201.112   90.704   1.6410   89.065   1.1632 1.639122 2.011464 
1 1 1    5   10   21 o   89.768   0.8232  7827.92  143.438  7825.10  203.871  7830.68  201.848   89.752   1.1702   89.785   1.1581 -0.3276825E-01 1.646368 
1 1 1    5   10   22 o   95.218   0.8976  8808.90  165.869  8839.76  237.395  8779.47  231.852   95.380   1.2822   95.056   1.2565 0.3236847 1.795223 
1 1 1    5   10   23 o   54.711   0.9226  2832.97   90.451  3106.79  166.561  2718.45  107.718   56.523   1.5180   52.899   1.0490 3.624172 1.845224 
1 1 1    5   10   24 o   22.940   1.3725  503.926   59.493  691.589   90.356  360.306   79.045   26.655   1.7463   19.226   2.1180 7.428751 2.745050 
1 1 1    5   10   25 o   87.953   0.8817  7521.61  150.498  7517.50  215.131  7525.55  210.615   87.928   1.2604   87.978   1.2332 -0.5042267E-01 1.763377 
1 1 1    5   10   26 o   82.228   0.8460  6578.15  134.990  6497.42  192.921  6655.59  188.950   81.730   1.2160   82.725   1.1766 -0.9944763 1.692083 
1 1 1    5   10   27 o   25.334   1.2782  630.653   62.134  603.205   94.165  651.818   82.690   24.828   1.9538   25.840   1.6486 -1.011280 2.556364 
1 1 1    5   10   28 f   24.989   1.2613  613.417   61.014  575.646   87.633  648.953   85.001   24.230   1.8632   25.748   1.7006 -1.518341 2.522609 
1 1 1    5   10   29 o   40.936   0.8955  1636.83   70.949  1637.28  104.414  1636.45   96.704   40.932   1.3141   40.941   1.2168 -0.9536743E-02 1.790956 
1 1 1    5   10   30 o   16.086   1.9337  262.787   58.895  296.255   88.709  236.407   78.757   17.118   2.6696   15.054   2.7981 2.064103 3.867314 
1 1 1    5   10   31 o   39.146   0.9141  1492.17   68.919  1603.69  105.586  1409.39   90.971   40.390   1.3467   37.902   1.2365 2.487953 1.828228 
1 1 1    5   10   32 o   12.326   2.3559  169.562   64.240   66.162   94.501  258.391   87.590   9.1788   3.6130   15.474   3.0244 -6.294988 4.711777 
1 1 1    5   10   33 o   15.009   2.9642  280.096   95.540  170.204  141.266  372.734  129.703   12.154   4.5051   17.863   3.8536 -5.709065 5.928420 
1 1 1    5   11    0 o  164.634   1.0253 26318.13  326.268 26333.50  441.553 26299.63  484.217  164.690   1.3812  164.578   1.5157 0.1113586 2.050584 
1 1 1    5   11    1 o  131.646   0.9559 16766.54  240.286 16503.24  311.681 17152.30  377.264  130.380   1.2315  132.911   1.4622 -2.531952 1.911736 
1 1 1    5   11    2 o   46.680   0.5631  2109.71   50.867  2049.47   68.887  2181.95   75.432   45.950   0.7723   47.411   0.8196 -1.461514 1.126159 
1 1 1    5   11    3 o  201.522   1.0938 39430.54  427.875 39277.72  603.029 39585.50  607.206  201.129   1.5445  201.915   1.5492 -0.7862701 2.187590 
1 1 1    5   11    4 o   43.145   0.4209  1806.79   35.249  1772.88   49.710  1841.08   49.989   42.738   0.5992   43.552   0.5913 -0.8143806 0.8418251 
1 1 1    5   11    5 o  245.993   1.2028 58755.25  574.359 58658.69  809.319 58853.24  815.246  245.790   1.6963  246.196   1.7059 -0.4067078 2.405664 
1 1 1    5   11    6 o   76.330   0.6142  5654.99   91.000  5606.28  128.102  5704.62  129.294   75.998   0.8683   76.662   0.8688 -0.6636276 1.228358 
1 1 1    5   11    7 o  381.139   1.4760 140918.30  1079.55 141859.59  1659.59 140227.70  1421.37  382.233   2.2367  380.047   1.9267 2.185883 2.952087 
1 1 1    5   11    8 o  274.187   1.2653 72979.04  673.439 73468.82  956.351 72497.30  948.471  275.099   1.7909  273.274   1.7880 1.824890 2.530619 
1 1 1    5   11    9 o  317.613   1.2739 97843.29  780.088 98686.32  1176.05 97180.95  1042.42  318.830   1.9002  316.397   1.6972 2.433502 2.547833 
1 1 1    5   11   10 o  508.344   1.6379 250515.91  1594.81 253358.70  2470.84 248485.80  2088.00  510.796   2.4919  505.892   2.1262 4.903320 3.275728 
1 1 1    5   11   11 o  468.132   1.6046 212937.41  1446.31 211613.00  2185.66 213969.09  1929.06  466.824   2.4119  469.440   2.1169 -2.616516 3.209155 
1 1 1    5   11   12 o  206.174   1.0645 41265.66  426.048 41044.04  600.920 41489.68  604.138  205.618   1.5055  206.731   1.5054 -1.113235 2.129086 
1 1 1    5   11   13 o  185.830   1.0748 33527.99  386.724 33565.50  528.673 33484.83  567.176  185.944   1.4647  185.717   1.5733 0.2267151 2.149517 
1 1 1    5   11   14 o  251.951   1.1722 61635.67  573.288 61555.61  811.101 61715.60  810.404  251.788   1.6595  252.115   1.6559 -0.3272095 2.344349 
1 1 1    5   11   15 f  204.399   1.1974 40573.09  475.073 40561.01  674.672 40584.96  669.071  204.368   1.7006  204.430   1.6860 -0.6130981E-01 2.394758 
1 1 1    5   11   16 o  142.533   0.9905 19727.67  274.054 19802.58  387.046 19652.35  388.099  142.805   1.3962  142.261   1.4054 0.5431519 1.981036 
1 1 1    5   11   17 o   79.921   0.7091  6201.32  110.007  6196.40  156.618  6206.10  154.548   79.890   1.0099   79.953   0.9958 -0.6279755E-01 1.418282 
1 1 1    5   11   18 o  119.665   1.0101 13890.90  229.026 13823.68  293.225 13996.07  366.761  119.304   1.2661  120.025   1.5741 -0.7206879 2.020160 
1 1 1    5   11   19 o   52.774   0.6567  2700.93   67.135  2753.35   98.565  2655.56   91.694   53.250   0.9535   52.297   0.9032 0.9530525 1.313408 
1 1 1    5   11   20 o  114.187   0.9254 12667.10  205.105 12612.91  290.934 12720.64  289.197  113.944   1.3153  114.431   1.3019 -0.4866638 1.850714 
1 1 1    5   11   21 o  110.211   1.1000 11780.30  225.081 11897.67  379.194 11716.45  279.681  110.610   1.7661  109.812   1.3120 0.7980423 2.200090 
1 1 1    5   11   22 o  108.289   0.9909 11395.58  208.257 11479.49  298.050 11315.53  291.114  108.677   1.4128  107.901   1.3899 0.7764664 1.981864 
1 1 1    5   11   23 o  118.559   1.0722 13670.07  246.766 13563.85  349.096 13776.15  348.864  118.098   1.5228  119.021   1.5100 -0.9226303 2.144498 
1 1 1    5   11   24 o   23.751   1.2968  557.256   58.926  470.549   85.923  634.244   80.965   21.974   2.0144   25.529   1.6338 -3.555021 2.593639 
1 1 1    5   11   25 o   48.366   0.8275  2277.51   77.396  2232.04  113.937  2316.46  105.463   47.913   1.2250   48.818   1.1129 -0.9050751 1.655057 
1 1 1    5   11   26 o   61.312   0.7869  3653.95   93.489  3680.79  136.570  3630.28  128.250   61.520   1.1436   61.103   1.0813 0.4171257 1.573819 
1 1 1    5   11   27 f   40.249   0.8601  1585.02   66.660  1510.48   99.446  1645.85   89.830   39.376   1.3010   41.122   1.1253 -1.745789 1.720192 
1 1 1    5   11   28 o   34.538   0.9785  1161.98   65.111  1184.72   98.695  1144.45   86.640   34.825   1.4599   34.251   1.3031 0.5747948 1.956926 
1 1 1    5   11   29 o   28.829   1.1537  818.302   64.076  791.414   95.803  840.066   86.191   28.377   1.7392   29.280   1.5164 -0.9028492 2.307458 
1 1 1    5   11   30 o   17.610   1.7692  309.404   60.039  336.253   91.813  289.345   79.358   18.248   2.5920   16.972   2.4087 1.275568 3.538374 
1 1 1    5   11   31 o   28.047   1.2177  773.279   65.811  833.613  100.581  728.114   87.025   28.972   1.7884   27.122   1.6530 1.850357 2.435318 
1 1 1    5   11   32 o   26.156   1.3667  719.502   65.543  557.357  103.567  827.829   84.652   23.409   2.2791   28.903   1.5088 -5.493666 2.733314 
1 1 1    5   11   33 o   9.3716   2.8756   25.839   95.104   83.601  151.984 -11.3344  121.926   10.500   4.4089   8.2436   3.6929 2.256053 5.751116 
1 1 1    5   12    0 f  188.492   1.1454 34493.43  416.127 34443.93  556.186 34556.38  627.175  188.344   1.5213  188.641   1.7127 -0.2969971 2.290780 
1 1 1    5   12    1 o   72.949   0.5768  5165.92   81.670  5229.51  115.429  5102.18  115.567   73.399   0.8101   72.500   0.8212 0.8991699 1.153542 
1 1 1    5   12    2 o   57.723   0.4910  3233.66   55.015  3268.08   78.508  3200.45   77.117   58.025   0.6970   57.421   0.6919 0.6035538 0.9820791 
1 1 1    5   12    3 o  164.348   0.9851 26223.11  314.273 26265.46  444.440 26180.75  444.458  164.480   1.3920  164.215   1.3943 0.2655182 1.970193 
1 1 1    5   12    4 o  254.880   1.2085 63076.55  597.893 63693.46  848.831 62469.10  842.302  256.117   1.7073  253.643   1.7107 2.473801 2.416929 
1 1 1    5   12    5 o  362.479   1.5481 127587.10  1089.22 126834.30  1527.65 128365.60  1553.46  361.393   2.1776  363.566   2.2012 -2.172821 3.096300 
1 1 1    5   12    6 o   83.376   0.6605  6746.77  106.893  6654.38  150.264  6841.43  152.093   82.798   0.9349   83.954   0.9333 -1.155632 1.321000 
1 1 1    5   12    7 o  163.740   1.0135 26026.28  322.132 26131.77  455.529 25920.76  455.599  164.072   1.4303  163.408   1.4363 0.6638794 2.026967 
1 1 1    5   12    8 o  137.822   0.8940 18454.79  238.824 18094.34  345.389 18785.01  330.592  136.531   1.3032  139.113   1.2242 -2.582199 1.788033 
1 1 1    5   12    9 o  215.833   1.1089 45300.43  463.180 44083.05  676.612 46374.02  635.399  213.098   1.6357  218.568   1.4976 -5.470428 2.217707 
1 1 1    5   12   10 o  182.833   1.2188 32388.52  431.324 33256.88  638.051 31657.76  585.322  185.084   1.7759  180.582   1.6698 4.502014 2.437611 
1 1 1    5   12   11 o  162.617   1.0612 25652.86  331.177 25792.16  508.821 25550.46  436.226  162.997   1.6081  162.236   1.3852 0.7611389 2.122430 
1 1 1    5   12   12 o  138.564   0.9536 18616.74  255.991 18974.93  375.391 18305.38  349.993  139.808   1.3832  137.321   1.3130 2.487564 1.907136 
1 1 1    5   12   13 o  176.607   1.0167 30278.50  348.537 30587.26  494.459 29973.59  491.366  177.501   1.4350  175.712   1.4406 1.789795 2.033379 
1 1 1    5   12   14 o  125.944   0.9747 15398.70  238.286 15499.66  338.755 15299.81  335.246  126.353   1.3811  125.535   1.3757 0.8170929 1.949399 
1 1 1    5   12   15 o  332.257   1.3808 107224.20  884.901 107141.30  1186.22 107328.30  1328.76  332.128   1.8399  332.387   2.0594 -0.2595825 2.761569 
1 1 1    5   12   16 o  207.730   1.2148 41911.27  489.865 42110.61  694.301 41713.68  691.256  208.222   1.7177  207.238   1.7183 0.9837189 2.429657 
1 1 1    5   12   17 o  155.833   1.0142 23579.87  306.776 23888.56  437.602 23281.55  430.187  156.836   1.4374  154.831   1.4313 2.005051 2.028467 
1 1 1    5   12   18 o   46.286   0.6782  2078.87   60.573  2092.27   90.918  2068.18   81.225   46.419   1.0090   46.153   0.9066 0.2661324 1.356465 
1 1 1    5   12   19 f   24.542   1.0622  581.390   50.428  524.666   68.359  649.115   74.694   23.237   1.5155   25.847   1.4887 -2.609880 2.124353 
1 1 1    5   12   20 o   44.063   0.7335  1881.73   62.653  1956.27   91.618  1816.24   85.870   44.881   1.0516   43.246   1.0229 1.635368 1.467039 
1 1 1    5   12   21 o  115.131   1.0011 12879.23  223.684 12983.24  320.062 12779.92  312.739  115.584   1.4265  114.677   1.4049 0.9064026 2.002148 
1 1 1    5   12   22 o   54.164   0.9175  2850.02   88.985  2853.22  160.634  2848.60  106.884   54.173   1.5275   54.155   1.0167 0.1858521E-01 1.834961 
1 1 1    5   12   23 o   38.559   0.8535  1449.58   63.406  1404.67   94.871  1485.83   85.239   38.015   1.2856   39.104   1.1229 -1.089630 1.706998 
1 1 1    5   12   24 o   45.732   0.8070  2029.97   71.351  2062.77  106.153  2002.94   96.366   46.066   1.1871   45.399   1.0935 0.6678009 1.613967 
1 1 1    5   12   25 o   59.381   0.7783  3426.00   89.568  3450.87  130.613  3403.91  123.060   59.582   1.1293   59.180   1.0712 0.4022598 1.556538 
1 1 1    5   12   26 o   46.416   0.8377  2092.07   75.063  2130.40  112.690  2061.50  100.639   46.793   1.2406   46.040   1.1261 0.7529297 1.675472 
1 1 1    5   12   27 o   43.810   0.8427  1875.19   71.231  1805.48  105.611  1933.36   96.478   43.052   1.2637   44.569   1.1152 -1.516315 1.685392 
1 1 1    5   12   28 o   40.898   0.8769  1618.98   68.986  1718.33  106.136  1546.31   90.776   41.966   1.3029   39.829   1.1741 2.136383 1.753849 
1 1 1    5   12   29 o   26.440   1.2645  706.988   62.707  597.911   97.522  783.877   81.878   24.597   2.0424   28.282   1.4914 -3.684763 2.528982 
1 1 1    5   12   30 o   17.337   1.7737  297.447   59.122  357.845   90.623  252.691   78.011   18.849   2.4768   15.825   2.5396 3.024449 3.547369 
1 1 1    5   12   31 o   45.904   0.8840  2068.61   77.988  2072.21  118.979  2065.89  103.267   45.901   1.3353   45.906   1.1589 -0.4570007E-02 1.768039 
1 1 1    5   12   32 o   9.8635   2.5351   95.851   63.213   72.854   97.630  112.451   82.947   9.4051   3.6813   10.322   3.4864 -0.9167156 5.070247 
1 1 1    5   12   33 o   10.424   2.8423   96.794   90.842 -41.1102  149.432  177.633  114.410   8.5946   3.9429   12.254   4.0948 -3.659577 5.684562 
1 1 1    5   13    0 o  278.260   1.3898 75142.66  747.797 75816.27  1109.54 74582.02  1012.24  279.394   2.0458  277.125   1.8817 2.269135 2.779545 
1 1 1    5   13    1 o   63.766   0.6552  3945.24   81.084  4017.83  116.382  3876.77  113.031   64.335   0.9319   63.196   0.9214 1.139336 1.310497 
1 1 1    5   13    2 o  164.462   0.9921 26257.18  316.696 26004.77  445.176 26515.82  450.624  163.662   1.4013  165.262   1.4047 -1.600220 1.984102 
1 1 1    5   13    3 o   26.558   0.4399  676.584   22.017  652.617   27.740  717.380   36.192   25.930   0.5511   27.186   0.6858 -1.255821 0.8798041 
1 1 1    5   13    4 o  128.964   0.8709 16145.60  218.030 16076.44  307.840 16215.22  308.845  128.687   1.2323  129.241   1.2310 -0.5542603 1.741868 
1 1 1    5   13    5 o  257.431   1.2231 64340.38  611.181 64238.14  861.567 64443.95  867.141  257.226   1.7255  257.637   1.7339 -0.4113770 2.446136 
1 1 1    5   13    6 o  268.713   1.2510 70100.46  652.536 70507.93  923.596 69694.35  922.056  269.493   1.7655  267.933   1.7728 1.559601 2.501985 
1 1 1    5   13    7 o   57.403   0.5309  3197.46   59.148  3243.67   84.638  3153.35   82.693   57.809   0.7542   56.998   0.7474 0.8105011 1.061815 
1 1 1    5   13    8 o  224.040   1.1261 48730.63  487.842 48665.90  722.246 48784.95  661.567  223.901   1.6617  224.178   1.5202 -0.2768860 2.252231 
1 1 1    5   13    9 o  333.228   1.3203 107833.80  852.749 107208.50  1238.31 108397.80  1176.04  332.306   1.9197  334.149   1.8131 -1.842804 2.640519 
1 1 1    5   13   10 o  426.671   1.5578 176813.00  1278.63 176372.00  1941.79 177150.59  1698.96  426.190   2.3471  427.151   2.0490 -0.9617004 3.115640 
1 1 1    5   13   11 o  209.169   1.2287 42517.39  496.645 42026.32  736.084 42927.75  672.888  208.057   1.8226  210.282   1.6485 -2.224915 2.457458 
1 1 1    5   13   12 o  379.976   1.4214 140129.30  1045.36 140944.09  1540.52 139433.91  1423.17  380.994   2.0830  378.958   1.9346 2.036072 2.842823 
1 1 1    5   13   13 o  187.620   1.0849 34186.95  394.136 34018.64  577.391 34333.80  539.337  187.186   1.5890  188.055   1.4774 -0.8690796 2.169757 
1 1 1    5   13   14 o  187.348   1.1323 34080.47  411.798 34138.88  581.916 34021.88  582.825  187.509   1.5987  187.187   1.6040 0.3218231 2.264654 
1 1 1    5   13   15 o  174.136   1.3248 29453.64  447.826 29613.88  636.163 29296.24  630.518  174.605   1.8769  173.667   1.8703 0.9384308 2.649698 
1 1 1    5   13   16 o   74.857   0.9610  5434.88  139.418  5544.14  203.923  5338.99  191.040   75.561   1.3903   74.152   1.3272 1.409676 1.922068 
1 1 1    5   13   17 o  224.596   1.2752 49001.40  555.866 49505.46  794.438 48517.94  778.044  225.727   1.8131  223.466   1.7936 2.260208 2.550335 
1 1 1    5   13   18 o   55.796   0.6528  3011.80   70.435  3141.73  105.161  2906.09   94.855   56.883   0.9524   54.710   0.8932 2.173466 1.305660 
1 1 1    5   13   19 o   80.084   0.7408  6223.93  115.095  6352.72  166.084  6104.94  159.644   80.880   1.0578   79.288   1.0372 1.592171 1.481514 
1 1 1    5   13   20 o  138.956   1.3615 18757.13  353.416 18692.17  442.834 18871.10  586.529  138.665   1.6452  139.246   2.1699 -0.5805359 2.723061 
1 1 1    5   13   21 o   55.093   0.7204  2953.52   76.840  2859.67  111.798  3037.56  105.787   54.261   1.0614   55.926   0.9744 -1.665386 1.440880 
1 1 1    5   13   22 o  168.437   1.4690 27623.93  480.304 27497.92  678.827 27750.24  679.678  168.051   2.0809  168.822   2.0740 -0.7710114 2.937962 
1 1 1    5   13   23 o   90.483   1.0720  7962.82  176.111  7964.44  309.754  7962.05  214.079   90.456   1.7641   90.510   1.2185 -0.5431366E-01 2.143961 
1 1 1    5   13   24 o   67.717   0.7771  4454.74  101.917  4485.60  149.446  4427.91  139.348   67.933   1.1333   67.501   1.0635 0.4325714 1.554116 
1 1 1    5   13   25 o   62.047   0.7794  3736.67   93.678  3824.57  137.577  3660.69  127.911   62.724   1.1299   61.370   1.0737 1.353931 1.558708 
1 1 1    5   13   26 o   27.451   1.2128  727.158   64.182  859.213   96.026  620.530   86.287   29.684   1.6665   25.219   1.7626 4.464621 2.425695 
1 1 1    5   13   27 o   57.483   0.7829  3190.11   86.565  3403.80  133.289  3034.23  113.842   59.126   1.1613   55.840   1.0502 3.285995 1.565777 
1 1 1    5   13   28 o   31.071   1.0554  936.225   63.043  995.439   97.254  893.312   82.793   31.900   1.5705   30.242   1.4103 1.657915 2.110813 
1 1 1    5   13   29 o   35.880   0.9830  1268.46   67.357  1213.76  103.824  1308.22   88.511   35.177   1.5204   36.583   1.2464 -1.406094 1.966004 
1 1 1    5   13   30 o   11.077   2.3681  130.798   58.236   72.426   89.157  174.236   76.910   9.3799   3.5574   12.775   3.1268 -3.394855 4.736206 
1 1 1    5   13   31 f   24.741   1.4260  607.358   68.105  663.548  103.166  563.955   90.670   25.728   2.0657   23.754   1.9663 1.973743 2.851954 
1 1 1    5   13   32 o   36.175   1.0550  1299.05   73.676  1280.12  109.645  1314.63   99.482   35.892   1.5737   36.459   1.4057 -0.5663795 2.110073 
1 1 1    5   13   33 o   23.411   2.3421  630.974   97.545  467.194  148.128  756.376  129.617   19.900   3.9737   26.922   2.4802 -7.021906 4.684230 
1 1 1    5   14    0 o  162.853   0.9917 25747.68  313.491 25943.88  444.561 25553.62  442.134  163.470   1.4010  162.236   1.4039 1.234253 1.983360 
1 1 1    5   14    1 o  205.872   1.0987 41151.85  439.064 41317.43  620.126 40985.41  621.737  206.288   1.5486  205.457   1.5589 0.8309937 2.197356 
1 1 1    5   14    2 o  118.536   0.8249 13640.74  189.807 13715.03  267.685 13565.61  269.177  118.861   1.1602  118.211   1.1730 0.6495132 1.649852 
1 1 1    5   14    3 f  232.907   1.1719 52670.03  529.827 52638.86  747.802 52701.45  750.785  232.838   1.6545  232.976   1.6601 -0.1380920 2.343791 
1 1 1    5   14    4 o  119.066   0.8233 13761.05  190.281 13886.57  270.346 13637.81  267.868  119.605   1.1644  118.528   1.1642 1.076126 1.646590 
1 1 1    5   14    5 o  109.445   0.7838 11624.11  166.490 11437.03  233.164 11818.73  237.811  108.547   1.1066  110.343   1.1103 -1.796417 1.567536 
1 1 1    5   14    6 o  339.582   1.4502 111951.30  955.887 112885.40  1359.22 111037.10  1344.56  340.984   2.0535  338.181   2.0482 2.802765 2.900303 
1 1 1    5   14    7 o  135.179   0.9143 17733.66  239.894 17482.79  335.998 17994.52  342.621  134.204   1.2898  136.154   1.2963 -1.949829 1.828651 
1 1 1    5   14    8 o  361.258   1.3625 126772.20  954.089 125288.00  1383.03 128120.00  1317.89  359.237   1.9833  363.279   1.8688 -4.042633 2.725076 
1 1 1    5   14    9 o  188.210   1.0567 34398.28  385.243 34212.74  562.575 34562.12  528.638  187.731   1.5438  188.690   1.4433 -0.9582672 2.113334 
1 1 1    5   14   10 o  145.622   0.9924 20577.91  278.301 20643.11  421.300 20527.44  370.693  145.825   1.4883  145.419   1.3132 0.4062958 1.984831 
1 1 1    5   14   11 o  131.567   0.9014 16807.15  229.941 16724.96  333.121 16881.95  317.793  131.260   1.3074  131.875   1.2414 -0.6156464 1.802883 
1 1 1    5   14   12 o   69.969   0.6405  4747.67   86.905  4842.43  126.280  4662.42  119.782   70.631   0.9210   69.306   0.8903 1.325096 1.281009 
1 1 1    5   14   13 o  237.106   1.2033 54578.62  551.526 54671.01  818.657 54501.85  746.305  237.286   1.7773  236.926   1.6227 0.3592529 2.406660 
1 1 1    5   14   14 o  141.720   1.0721 19533.32  293.455 19837.89  397.364 19167.92  435.234  142.941   1.4321  140.500   1.5958 2.440277 2.144169 
1 1 1    5   14   15 o  100.195   0.8241  9746.34  160.241  9768.19  229.157  9725.43  224.155  100.304   1.1769  100.085   1.1538 0.2191772 1.648122 
1 1 1    5   14   16 o  326.998   1.3243 103870.70  840.604 103872.90  1191.59 103868.60  1186.02  327.001   1.8772  326.995   1.8685 0.5462646E-02 2.648598 
1 1 1    5   14   17 o  182.047   1.2936 32253.22  451.285 32523.32  593.984 31884.43  694.067  182.967   1.6724  181.127   1.9740 1.840103 2.587216 
1 1 1    5   14   18 f   88.274   0.7747  7569.01  132.707  7468.27  189.266  7666.43  186.127   87.696   1.1118   88.853   1.0791 -1.157150 1.549396 
1 1 1    5   14   19 o  111.876   0.9740 12152.01  211.419 12383.24  304.816 11937.65  293.488  112.900   1.3908  110.852   1.3639 2.047821 1.947989 
1 1 1    5   14   20 o  139.984   1.0987 19045.67  298.530 19156.06  424.903 18938.05  419.518  140.384   1.5592  139.584   1.5483 0.7996521 2.197346 
1 1 1    5   14   21 o  167.596   1.3975 27342.01  444.788 27381.69  572.795 27281.74  705.911  167.794   1.7586  167.399   2.1724 0.3948669 2.794941 
1 1 1    5   14   22 o   81.060   0.8196  6383.29  128.923  6405.94  184.780  6361.79  179.966   81.199   1.1723   80.920   1.1457 0.2784576 1.639178 
1 1 1    5   14   23 o   92.691   1.0852  8313.19  186.247  8212.26  230.333  8503.81  316.550   91.913   1.2910   93.470   1.7446 -1.557129 2.170340 
1 1 1    5   14   24 o   45.062   0.9953  1961.01   79.947  2011.27  146.345  1939.63   95.448   45.451   1.6587   44.673   1.1007 0.7779617 1.990671 
1 1 1    5   14   25 o   67.416   0.7984  4421.55  104.382  4330.67  149.943  4507.01  145.400   66.741   1.1574   68.092   1.1000 -1.350769 1.596732 
1 1 1    5   14   26 o   71.415   0.8041  4960.64  111.402  4985.88  160.717  4937.31  154.555   71.587   1.1565   71.243   1.1176 0.3439026 1.608286 
1 1 1    5   14   27 o   51.925   0.7953  2616.93   79.435  2683.78  121.445  2566.94  105.014   52.493   1.1918   51.358   1.0534 1.135986 1.590602 
1 1 1    5   14   28 o   37.405   0.9432  1367.46   68.173  1348.67  100.963  1383.21   92.425   37.158   1.3997   37.653   1.2645 -0.4948578 1.886342 
1 1 1    5   14   29 o   35.680   0.9901  1248.17   67.831  1240.75  103.645  1253.73   89.712   35.562   1.5014   35.798   1.2910 -0.2353973 1.980104 
1 1 1    5   14   30 o   14.560   2.1751  215.166   61.171  320.778   93.595  136.411   80.822   17.777   2.7123   11.343   3.4011 6.433270 4.350157 
1 1 1    5   14   31 o   44.898   0.9235  1977.62   79.969  2028.45  120.777  1937.94  106.711   45.379   1.3711   44.416   1.2377 0.9636726 1.847070 
1 1 1    5   14   32 o   23.426   1.5277  549.210   68.837  664.341  103.901  459.139   91.900   25.617   2.0894   21.236   2.2294 4.381229 3.055462 
1 1 1    5   15    0 o  146.671   0.9310 20884.80  265.069 20887.97  375.787 20881.66  373.947  146.682   1.3198  146.660   1.3135 0.2195740E-01 1.862023 
1 1 1    5   15    1 o  178.470   1.0346 30923.33  358.410 31134.80  508.328 30714.28  505.422  179.077   1.4623  177.863   1.4639 1.213547 2.069126 
1 1 1    5   15    2 o   81.972   0.7592  6526.05  116.574  6510.20  191.831  6535.32  146.787   81.891   1.2067   82.052   0.9216 -0.1612091 1.518401 
1 1 1    5   15    3 o   32.734   0.3988  1039.97   25.339  1024.18   35.698  1056.00   35.972   32.484   0.5661   32.984   0.5618 -0.5007172 0.7975850 
1 1 1    5   15    4 o  109.334   0.7980 11609.96  169.246 11410.80  242.856 11798.03  235.992  108.421   1.1539  110.246   1.1027 -1.824875 1.596094 
1 1 1    5   15    5 o   71.803   0.5932  5004.32   82.686  4998.57  116.880  5010.09  116.992   71.762   0.8390   71.844   0.8389 -0.8263397E-01 1.186466 
1 1 1    5   15    6 o  282.456   1.2790 77451.96  701.241 77515.90  988.810 77387.28  994.624  282.573   1.8027  282.338   1.8148 0.2349243 2.557941 
1 1 1    5   15    7 o  140.154   0.9404 19067.61  255.850 19102.82  361.507 19032.28  362.146  140.284   1.3275  140.024   1.3323 0.2592926 1.880817 
1 1 1    5   15    8 o  328.638   1.4142 104780.90  899.187 103963.60  1220.38 105751.50  1329.97  327.240   1.9211  330.035   2.0759 -2.794830 2.828489 
1 1 1    5   15    9 f  182.243   1.0987 32293.52  383.845 31908.44  589.471 32577.01  505.770  181.296   1.6750  183.191   1.4223 -1.895050 2.197368 
1 1 1    5   15   10 o  205.774   1.1052 41099.70  440.072 41182.59  648.914 41029.12  598.812  205.965   1.6230  205.584   1.5005 0.3809662 2.210376 
1 1 1    5   15   11 o   83.365   0.8109  6781.12  127.863  6906.82  164.182  6587.37  203.835   84.353   1.0027   82.377   1.2747 1.976303 1.621799 
1 1 1    5   15   12 o  198.436   1.1122 38221.84  427.234 38316.18  628.494 38140.79  582.522  198.662   1.6298  198.210   1.5140 0.4515228 2.224463 
1 1 1    5   15   13 o  117.054   0.9327 13299.45  211.922 13525.63  301.872 13079.65  297.582  118.035   1.3175  116.073   1.3207 1.962349 1.865499 
1 1 1    5   15   14 o  147.450   0.9751 21109.10  278.703 21119.47  405.346 21099.80  383.826  147.483   1.4159  147.417   1.3413 0.6588745E-01 1.950300 
1 1 1    5   15   15 o  166.217   1.1415 26833.77  367.281 26812.34  539.732 26852.25  501.231  166.152   1.6734  166.283   1.5528 -0.1313629 2.282910 
1 1 1    5   15   16 o  147.104   1.0346 21015.03  295.445 20936.46  418.459 21093.12  417.188  146.830   1.4682  147.379   1.4582 -0.5488739 2.069294 
1 1 1    5   15   17 o  150.660   1.0007 22040.44  292.617 22370.63  418.850 21725.65  408.974  151.761   1.4218  149.558   1.4087 2.202728 2.001479 
1 1 1    5   15   18 o   60.164   0.6738  3518.27   78.608  3406.88  112.599  3624.17  109.791   59.234   0.9793   61.095   0.9258 -1.861115 1.347586 
1 1 1    5   15   19 o   58.978   0.6784  3380.89   77.568  3300.94  111.771  3455.16  107.735   58.304   0.9876   59.652   0.9304 -1.348106 1.356805 
1 1 1    5   15   20 f   72.048   1.0332  5045.19  144.417  5031.80  207.790  5057.69  200.860   71.954   1.4877   72.142   1.4343 -0.1883163 2.066497 
1 1 1    5   15   21 o   75.526   0.7936  5541.66  116.330  5493.82  165.368  5588.52  163.677   75.203   1.1328   75.849   1.1117 -0.6465302 1.587136 
1 1 1    5   15   22 o   80.098   0.9837  6207.18  145.688  6141.83  179.945  6331.53  248.214   79.507   1.1659   80.689   1.5847 -1.182693 1.967390 
1 1 1    5   15   23 o  122.010   1.1024 14480.04  261.069 14565.26  372.037 14397.37  366.441  122.362   1.5663  121.658   1.5517 0.7046661 2.204759 
1 1 1    5   15   24 o   29.632   1.1074  871.293   62.403  742.407   93.567  974.549   83.749   27.610   1.7458   31.654   1.3630 -4.044544 2.214839 
1 1 1    5   15   25 o  114.145   1.0551 12682.49  233.722 12687.67  334.543 12677.55  326.662  114.164   1.5096  114.127   1.4745 0.3778839E-01 2.110217 
1 1 1    5   15   26 o   64.026   0.8053  3987.91  100.006  4006.69  144.453  3970.63  138.589   64.168   1.1597   63.885   1.1175 0.2835655 1.610527 
1 1 1    5   15   27 o   80.211   0.8384  6266.15  130.414  6284.04  188.766  6249.81  180.385   80.314   1.2108   80.107   1.1600 0.2067337 1.676791 
1 1 1    5   15   28 o   28.117   1.1931  775.998   64.328  765.879   98.599  783.498   84.882   27.935   1.8183   28.298   1.5452 -0.3629417 2.386168 
1 1 1    5   15   29 o   26.946   1.2681  709.825   65.818  764.689  100.799  669.048   86.901   27.828   1.8660   26.064   1.7176 1.764383 2.536127 
1 1 1    5   15   30 o   34.019   1.0371  1131.96   68.068  1194.63  103.116  1083.56   90.616   34.831   1.5251   33.208   1.4057 1.622910 2.074122 
1 1 1    5   15   31 o   36.674   1.0250  1325.60   72.504  1346.91  109.238  1308.83   96.933   36.904   1.5249   36.444   1.3702 0.4601593 2.050041 
1 1 1    5   15   32 o   11.654   2.7852  152.799   77.362  189.663   99.770   97.214  122.511   12.874   3.7583   10.434   4.1116 2.439836 5.570475 
1 1 1    5   16    0 o  157.522   0.9774 24089.38  298.858 24022.69  422.036 24156.46  423.264  157.303   1.3821  157.741   1.3823 -0.4373627 1.954743 
1 1 1    5   16    1 o  178.187   1.0296 30818.39  356.076 30387.38  499.070 31265.28  508.187  176.918   1.4532  179.455   1.4588 -2.537201 2.059114 
1 1 1    5   16    2 o  197.488   1.1062 37863.79  424.049 37781.15  597.340 37947.75  602.079  197.270   1.5599  197.705   1.5688 -0.4341583 2.212337 
1 1 1    5   16    3 o  162.668   0.9810 25686.85  309.756 25628.96  436.647 25745.50  439.489  162.483   1.3844  162.852   1.3902 -0.3688812 1.961959 
1 1 1    5   16    4 o  154.778   0.9768 23251.39  293.446 22969.98  411.625 23542.22  418.451  153.826   1.3785  155.730   1.3842 -1.904190 1.953549 
1 1 1    5   16    5 o  235.947   1.1941 54043.58  546.911 53842.14  770.761 54247.85  776.165  235.505   1.6860  236.390   1.6915 -0.8854523 2.388215 
1 1 1    5   16    6 o  370.442   1.5285 133265.20  1098.08 132394.59  1585.04 134068.70  1522.68  369.275   2.2112  371.608   2.1109 -2.332428 3.056961 
1 1 1    5   16    7 o  334.712   1.3680 108757.10  888.763 108270.50  1247.88 109257.90  1266.12  333.953   1.9250  335.471   1.9443 -1.518463 2.735989 
1 1 1    5   16    8 o  266.456   1.2716 68927.27  657.685 68951.58  927.679 68902.70  932.555  266.503   1.7932  266.408   1.8033 0.9481812E-01 2.543105 
1 1 1    5   16    9 o  422.428   1.5044 173474.80  1218.11 171874.91  1872.85 174647.80  1603.64  420.725   2.2932  424.130   1.9478 -3.404846 3.008754 
1 1 1    5   16   10 o  205.999   1.1109 41223.26  442.900 40832.77  650.368 41560.97  604.819  205.087   1.6336  206.911   1.5058 -1.824158 2.221782 
1 1 1    5   16   11 o   79.190   0.6810  6088.62  104.651  6013.68  149.284  6161.03  146.747   78.711   0.9770   79.669   0.9489 -0.9586716 1.361983 
1 1 1    5   16   12 o   65.860   0.6359  4210.05   81.272  4221.52  116.389  4199.13  113.535   65.947   0.9092   65.772   0.8892 0.1749496 1.271760 
1 1 1    5   16   13 o  368.760   1.4106 132125.09  1004.69 131399.20  1495.43 132722.30  1356.42  367.826   2.0944  369.694   1.8901 -1.868805 2.821172 
1 1 1    5   16   14 o   83.656   0.7155  6794.48  116.162  6773.59  166.211  6814.42  162.411   83.530   1.0251   83.782   0.9986 -0.2518463 1.431078 
1 1 1    5   16   15 o  132.216   0.9904 16976.53  253.774 16945.49  369.307 17004.29  349.308  132.100   1.4402  132.332   1.3598 -0.2325287 1.980716 
1 1 1    5   16   16 o  125.935   0.9652 15408.85  235.805 15124.32  337.523 15680.14  329.576  124.797   1.3933  127.072   1.3361 -2.275177 1.930379 
1 1 1    5   16   17 o  112.000   0.8851 12184.80  192.381 12487.66  271.945 11881.41  272.191  113.395   1.2354  110.606   1.2677 2.788559 1.770167 
1 1 1    5   16   18 o  126.341   0.9283 15504.94  227.663 15492.98  323.710 15516.65  320.245  126.293   1.3204  126.390   1.3053 -0.9757996E-01 1.856682 
1 1 1    5   16   19 o   61.919   0.6895  3723.70   82.859  3674.03  117.823  3772.30  116.548   61.510   0.9868   62.328   0.9633 -0.8178482 1.379005 
1 1 1    5   16   20 o  151.698   1.2367 22371.49  364.126 21940.44  510.388 22818.32  519.640  150.210   1.7504  153.186   1.7475 -2.976089 2.473396 
1 1 1    5   16   21 o  122.707   1.0155 14635.49  241.866 14587.82  344.139 14682.02  339.999  122.509   1.4471  122.906   1.4251 -0.3975677 2.031002 
1 1 1    5   16   22 o   80.898   0.8156  6355.41  128.016  6459.73  184.549  6258.65  177.728   81.537   1.1660   80.260   1.1408 1.277275 1.631211 
1 1 1    5   16   23 o   70.322   0.9531  4770.75  123.145  4695.02  150.852  4922.01  213.206   69.511   1.1180   71.134   1.5440 -1.623299 1.906284 
1 1 1    5   16   24 o   14.835   2.0865  237.629   57.040  148.086   89.319  299.295   74.122   12.156   3.5581   17.514   2.1802 -5.357919 4.172962 
1 1 1    5   16   25 o   40.097   0.9461  1568.67   73.001  1528.78  109.970  1600.10   97.610   39.633   1.4294   40.561   1.2397 -0.9278183 1.892116 
1 1 1    5   16   26 o  124.581   1.1373 15125.59  274.814 15548.79  398.305 14741.09  379.657  126.235   1.6254  122.926   1.5910 3.308838 2.274522 
1 1 1    5   16   27 f   38.090   1.3993  1424.80  103.287  1383.33  149.105  1463.05  143.212   37.543   2.0460   38.637   1.9095 -1.094193 2.798587 
1 1 1    5   16   28 o   37.956   0.9426  1383.50   68.788  1583.59  106.661  1241.01   90.008   40.261   1.3648   35.652   1.3006 4.609241 1.885224 
1 1 1    5   16   29 o   16.585   1.9974  275.307   61.394  384.285   94.258  195.009   80.910   19.588   2.4789   13.582   3.1327 6.006343 3.994873 
1 1 1    5   16   30 o   17.527   1.9288  311.506   63.212  393.158   95.163  247.029   84.564   19.743   2.4831   15.312   2.9521 4.431381 3.857569 
1 1 1    5   16   31 o   22.066   1.5857  495.285   67.189  470.129  101.066  515.208   89.942   21.486   2.4232   22.646   2.0460 -1.159534 3.171442 
1 1 1    5   16   32 o   22.598   1.8956  523.775   82.247  473.024  107.100  596.731  128.409   21.342   2.5852   23.854   2.7732 -2.511543 3.791236 
1 1 1    5   17    0 o   59.997   0.6136  3490.28   67.409  3482.64   82.553  3505.55  116.772   59.900   0.7100   60.095   1.0010 -0.1950951 1.227225 
1 1 1    5   17    1 o  222.966   1.1474 48264.71  496.594 48451.88  702.424 48077.69  702.157  223.399   1.6198  222.534   1.6254 0.8645172 2.294718 
1 1 1    5   17    2 o  109.551   0.7875 11649.60  167.456 11621.09  235.911 11678.55  237.738  109.416   1.1107  109.686   1.1166 -0.2700806 1.574923 
1 1 1    5   17    3 o  176.231   1.0555 30145.58  361.054 30718.22  513.577 29585.99  507.688  177.886   1.4873  174.576   1.4981 3.309341 2.111026 
1 1 1    5   17    4 o  128.597   0.8793 16051.16  219.475 15935.66  308.042 16170.23  312.780  128.128   1.2385  129.067   1.2484 -0.9394226 1.758538 
1 1 1    5   17    5 o  483.646   1.6934 227085.00  1589.43 225669.00  2221.06 228571.30  2275.50  482.102   2.3733  485.189   2.4160 -3.086975 3.386710 
1 1 1    5   17    6 f   43.390   0.6614  1828.04   55.688  1795.62   79.299  1859.57   78.220   43.011   0.9498   43.770   0.9206 -0.7592888 1.322735 
1 1 1    5   17    7 o  123.222   0.8642 14739.08  206.704 14682.67  293.224 14794.80  291.431  122.988   1.2282  123.457   1.2161 -0.4688416 1.728384 
1 1 1    5   17    8 o  242.663   1.2341 57161.02  581.272 58139.53  826.290 56202.38  817.860  244.719   1.7394  240.607   1.7511 4.111832 2.468155 
1 1 1    5   17    9 o  125.774   0.8874 15356.68  216.640 15473.01  305.569 15239.12  307.189  126.253   1.2468  125.295   1.2630 0.9580841 1.774748 
1 1 1    5   17   10 o  165.717   1.0073 26649.48  323.360 26808.43  473.549 26510.61  442.616  166.178   1.4680  165.255   1.3798 0.9236755 2.014645 
1 1 1    5   17   11 o  263.506   1.2425 67437.14  633.107 67130.20  936.356 67695.64  859.297  262.950   1.8344  264.062   1.6764 -1.111938 2.485037 
1 1 1    5   17   12 o  107.659   0.8237 11250.83  172.043 11273.46  247.620 11229.71  239.209  107.764   1.1837  107.555   1.1457 0.2087097 1.647385 
1 1 1    5   17   13 o  137.583   0.9614 18380.09  256.415 18330.85  372.142 18424.60  353.805  137.406   1.3952  137.759   1.3231 -0.3530426 1.922773 
1 1 1    5   17   14 o   70.637   0.6651  4845.37   91.168  4759.72  129.881  4928.56  128.001   70.021   0.9555   71.253   0.9254 -1.231529 1.330229 
1 1 1    5   17   15 o  330.555   1.3910 106175.60  888.258 105882.60  1321.93 106416.80  1199.37  330.124   2.0628  330.986   1.8667 -0.8617859 2.782074 
1 1 1    5   17   16 o  150.709   1.0812 22071.06  315.736 21882.80  459.666 22239.23  434.437  150.097   1.5776  151.321   1.4790 -1.224335 2.162481 
1 1 1    5   17   17 o   79.635   0.7498  6157.50  115.815  6170.13  167.216  6145.86  160.563   79.712   1.0807   79.557   1.0397 0.1555481 1.499586 
1 1 1    5   17   18 o  108.933   0.8652 11527.47  182.928 11657.25  257.183 11394.58  260.241  109.554   1.2093  108.311   1.2378 1.243080 1.730480 
1 1 1    5   17   19 o   34.435   0.8218  1152.24   54.815  1143.83   80.036  1159.68   75.228   34.316   1.2015   34.554   1.1215 -0.2386971 1.643616 
1 1 1    5   17   20 o   80.341   0.9364  6212.75  138.540  6089.73  169.971  6456.24  239.130   79.180   1.1058   81.501   1.5115 -2.321030 1.872830 
1 1 1    5   17   21 o   86.542   0.8278  7277.31  139.042  7178.69  197.335  7374.54  195.942   85.959   1.1826   87.125   1.1586 -1.166405 1.655552 
1 1 1    5   17   22 o   19.332   1.5177  364.549   56.886  350.684   81.353  377.816   79.575   18.969   2.2093   19.694   2.0815 -0.7246609 3.035394 
1 1 1    5   17   23 o   73.750   0.9909  5247.73  131.260  5397.81  237.209  5181.49  157.585   74.479   1.6407   73.022   1.1117 1.456940 1.981888 
1 1 1    5   17   24 o   55.326   0.9339  2979.09   97.551  2986.64  124.350  2967.01  157.301   55.430   1.1557   55.222   1.4674 0.2079620 1.867857 
1 1 1    5   17   25 o  112.177   1.0411 12249.95  226.650 12310.62  324.539 12192.18  316.669  112.445   1.4868  111.910   1.4577 0.5354233 2.082212 
1 1 1    5   17   26 f   59.324   0.8143  3420.25   93.435  3483.00  138.709  3368.14  126.418   59.815   1.1946   58.833   1.1069 0.9821320 1.628620 
1 1 1    5   17   27 o   96.844   0.9445  9147.28  177.402  9182.23  256.563  9115.26  245.566   97.011   1.3624   96.677   1.3085 0.3349380 1.889017 
1 1 1    5   17   28 o   20.852   1.5246  428.243   61.156  436.792   93.306  421.804   80.974   21.011   2.2876   20.692   2.0159 0.3196945 3.049159 
1 1 1    5   17   29 o   34.924   1.0199  1192.80   68.396  1226.80  105.339  1168.02   89.930   35.326   1.5361   34.521   1.3420 0.8049164 2.039757 
1 1 1    5   17   30 o   27.186   1.2944  727.613   67.679  772.953  104.182  694.510   89.020   27.882   1.9249   26.490   1.7312 1.392199 2.588887 
1 1 1    5   17   31 o   17.433   2.0827  314.721   67.122  439.129  102.155  220.203   89.041   20.702   2.5421   14.164   3.2997 6.537532 4.165393 
1 1 1    5   17   32 o   9.7503   2.7975   54.307   90.840 -69.5858  141.374  141.432  118.553   8.1070   3.7604   11.394   4.1427 -3.286645 5.594900 
1 1 1    5   18    0 o  104.883   0.9108 10651.44  176.036 10593.03  216.851 10764.32  301.455  104.465   1.0694  105.301   1.4748 -0.8364105 1.821667 
1 1 1    5   18    1 o   80.637   0.7610  6352.83  113.406  6449.08  140.902  6175.79  191.092   81.511   0.8905   79.763   1.2342 1.748276 1.521900 
1 1 1    5   18    2 o  239.714   1.1906 55785.82  554.002 56004.66  782.452 55565.84  784.506  240.185   1.6782  239.242   1.6892 0.9431610 2.381167 
1 1 1    5   18    3 o  201.480   1.1816 39387.23  458.328 39245.63  609.736 39571.16  694.936  201.066   1.5622  201.893   1.7732 -0.8269653 2.363200 
1 1 1    5   18    4 f   65.942   0.5600  4218.97   71.665  4113.35  100.235  4329.42  102.502   65.099   0.7932   66.786   0.7906 -1.687920 1.119943 
1 1 1    5   18    5 o  449.880   1.6653 196437.50  1453.87 199287.20  2086.49 193748.09  2026.97  453.049   2.3725  446.711   2.3375 6.338287 3.330580 
1 1 1    5   18    6 o  333.461   1.4159 108018.60  915.286 109272.10  1265.86 106645.20  1324.98  335.492   1.9437  331.430   2.0595 4.062195 2.831870 
1 1 1    5   18    7 o  172.708   1.0558 28953.44  353.925 28797.54  496.592 29114.38  504.553  172.236   1.4853  173.181   1.5009 -0.9445953 2.111559 
1 1 1    5   18    8 o  135.811   0.9541 17897.81  251.068 18016.81  366.792 17792.91  344.394  136.235   1.3870  135.387   1.3104 0.8480835 1.908116 
1 1 1    5   18    9 o  167.343   1.0387 27180.46  337.369 26920.13  472.494 27451.23  481.866  166.526   1.4617  168.161   1.4762 -1.634369 2.077394 
1 1 1    5   18   10 o  118.624   0.8631 13664.92  198.528 13540.92  286.793 13779.01  275.095  118.106   1.2509  119.141   1.1895 -1.034653 1.726167 
1 1 1    5   18   11 o  158.011   0.9909 24251.21  303.481 23982.44  439.902 24495.30  419.219  157.174   1.4418  158.848   1.3595 -1.673569 1.981713 
1 1 1    5   18   12 o   81.955   0.6974  6519.27  110.898  6541.94  159.219  6497.92  154.551   82.093   0.9991   81.817   0.9731 0.2763367 1.394713 
1 1 1    5   18   13 o  217.277   1.1675 45885.08  491.358 45161.77  715.830 46529.52  675.678  215.653   1.7100  218.902   1.5901 -3.248917 2.335046 
1 1 1    5   18   14 o  150.299   1.0540 21950.44  307.204 21602.50  442.496 22274.17  426.833  149.147   1.5284  151.452   1.4518 -2.304993 2.108021 
1 1 1    5   18   15 o  161.769   1.0439 25408.75  327.139 25478.70  478.301 25347.27  448.430  161.975   1.5212  161.562   1.4298 0.4130554 2.087706 
1 1 1    5   18   16 o   78.343   0.7162  5959.57  108.820  5947.77  157.186  5970.43  150.801   78.267   1.0346   78.418   0.9907 -0.1501389 1.432402 
1 1 1    5   18   17 o   35.032   0.7570  1188.60   51.281  1225.46   76.419  1158.41   69.167   35.524   1.1082   34.539   1.0316 0.9842873 1.514047 
1 1 1    5   18   18 o   53.745   0.6780  2808.32   70.518  2756.94  103.318  2853.12   96.488   53.283   0.9989   54.207   0.9170 -0.9235229 1.355959 
1 1 1    5   18   19 o   72.870   0.7248  5157.93  102.482  5124.52  146.735  5189.75  143.193   72.639   1.0406   73.102   1.0091 -0.4622345 1.449545 
1 1 1    5   18   20 o   71.888   0.7321  5022.60  102.098  4876.17  145.548  5164.46  143.256   70.855   1.0582   72.921   1.0120 -2.066658 1.464253 
1 1 1    5   18   21 f   51.406   0.7527  2562.06   74.979  2645.21  110.011  2489.94  102.463   52.183   1.0860   50.630   1.0425 1.552925 1.505453 
1 1 1    5   18   22 o   37.836   0.8817  1394.35   64.587  1284.00   91.692  1503.03   90.993   36.344   1.2996   39.327   1.1919 -2.982670 1.763460 
1 1 1    5   18   23 o   38.314   0.8983  1433.10   66.513  1343.44   96.741  1513.48   91.598   37.170   1.3408   39.459   1.1958 -2.289669 1.796584 
1 1 1    5   18   24 o   62.444   0.7970  3792.87   96.529  3708.89  138.386  3872.46  134.714   61.768   1.1542   63.120   1.0995 -1.351871 1.594014 
1 1 1    5   18   25 o   83.505   1.0409  6818.17  162.041  6891.96  203.257  6689.50  268.420   84.167   1.2441   82.844   1.6691 1.323418 2.081746 
1 1 1    5   18   26 o   79.429   0.8509  6145.98  131.035  6072.33  189.509  6213.44  181.382   78.966   1.2363   79.892   1.1696 -0.9261398 1.701856 
1 1 1    5   18   27 o   37.356   0.9976  1368.60   71.302  1323.79  109.579  1401.51   93.899   36.803   1.5338   37.908   1.2760 -1.105244 1.995221 
1 1 1    5   18   28 o   60.677   0.8101  3595.81   95.151  3536.14  139.172  3648.18  130.384   60.191   1.1911   61.163   1.0982 -0.9716492 1.620100 
1 1 1    5   18   29 o   51.846   0.8397  2620.00   84.091  2727.23  126.353  2534.75  112.665   52.778   1.2333   50.914   1.1400 1.864471 1.679434 
1 1 1    5   18   30 o   21.540   1.5653  458.717   64.884  519.354  100.120  414.810   85.196   22.732   2.2690   20.349   2.1568 2.382622 3.130515 
1 1 1    5   18   31 o   9.6819   2.5897   82.911   66.197  100.987  101.267   69.422   87.475   10.260   3.8121   9.1033   3.5063 1.157156 5.179394 
1 1 1    5   18   32 o   33.885   1.5620  1180.32  100.771  1150.68  157.204  1201.00  131.294   33.337   2.4292   34.433   1.9643 -1.095993 3.124016 
1 1 1    5   19    0 o  257.812   1.4069 64516.76  681.486 64472.26  861.390 64591.22  1114.22  257.703   1.7219  257.921   2.2255 -0.2178955 2.813838 
1 1 1    5   19    1 o  108.627   0.9423 11416.55  189.223 11331.93  233.808 11577.19  322.144  108.047   1.1148  109.206   1.5196 -1.158623 1.884664 
1 1 1    5   19    2 o  202.950   1.1151 39978.36  439.278 39473.81  616.742 40497.87  625.822  201.650   1.5756  204.249   1.5784 -2.598877 2.230220 
1 1 1    5   19    3 o  165.527   1.0203 26591.86  327.801 26222.63  459.700 26973.83  467.561  164.358   1.4408  166.696   1.4449 -2.337494 2.040560 
1 1 1    5   19    4 o   77.960   0.6338  5899.17   95.912  5877.12  135.172  5921.51  136.112   77.813   0.8949   78.107   0.8977 -0.2932816 1.267570 
1 1 1    5   19    5 o  194.817   1.1162 36837.89  422.068 36483.91  591.607 37204.81  602.326  193.864   1.5721  195.770   1.5850 -1.905685 2.232374 
1 1 1    5   19    6 o  375.258   1.5258 136851.20  1104.50 137896.00  1484.38 135555.20  1653.23  376.872   2.0290  373.645   2.2793 3.226990 3.051608 
1 1 1    5   19    7 o  202.872   1.1271 39951.23  443.843 39662.60  623.863 40247.05  631.587  202.130   1.5900  203.613   1.5979 -1.483582 2.254215 
1 1 1    5   19    8 o  196.245   1.1269 37381.34  429.228 37066.16  601.076 37709.31  613.145  195.401   1.5847  197.089   1.6026 -1.687515 2.253798 
1 1 1    5   19    9 o  230.696   1.2162 51667.11  544.606 51444.95  766.026 51894.16  774.421  230.195   1.7143  231.197   1.7256 -1.002396 2.432348 
1 1 1    5   19   10 o  274.296   1.2578 73107.07  667.138 72342.18  985.294 73754.63  906.568  272.966   1.8595  275.625   1.6944 -2.659363 2.515683 
1 1 1    5   19   11 o  151.927   0.9879 22418.80  290.956 22196.69  421.471 22621.02  402.155  151.207   1.4359  152.648   1.3572 -1.440491 1.975807 
1 1 1    5   19   12 o  145.813   0.9707 20651.65  274.394 20438.82  397.275 20845.80  379.442  145.094   1.4105  146.533   1.3340 -1.439667 1.941395 
1 1 1    5   19   13 o  105.468   0.8485 10795.72  173.530 10878.58  251.660 10720.61  239.601  105.853   1.2247  105.083   1.1746 0.7700729 1.696969 
1 1 1    5   19   14 o  104.244   0.8721 10550.98  176.477 10533.25  248.759 10568.95  250.401  104.156   1.2304  104.332   1.2364 -0.1761703 1.744247 
1 1 1    5   19   15 o  210.765   1.3029 43143.82  530.265 43249.72  791.786 43057.70  714.042  210.990   1.9332  210.540   1.7471 0.4501038 2.605715 
1 1 1    5   19   16 o  191.410   1.2563 35575.52  464.654 35872.21  692.315 35332.32  626.799  192.126   1.8563  190.695   1.6933 1.430908 2.512583 
1 1 1    5   19   17 o  106.867   0.8416 11092.79  174.434 11057.83  251.992 11124.96  241.703  106.703   1.2166  107.030   1.1634 -0.3263626 1.683293 
1 1 1    5   19   18 o   67.832   0.7095  4470.41   93.377  4375.15  133.355  4562.04  130.791   67.122   1.0235   68.542   0.9830 -1.419968 1.419081 
1 1 1    5   19   19 o  104.272   0.9134 10558.94  184.704 10661.60  267.820 10465.82  255.069  104.753   1.3171  103.791   1.2660 0.9620895 1.826869 
1 1 1    5   19   20 o   75.569   0.7769  5547.28  113.937  5537.51  162.923  5556.64  159.397   75.503   1.1116   75.635   1.0857 -0.1316833 1.553809 
1 1 1    5   19   21 o  163.869   1.2799 26143.41  406.238 25873.10  593.001 26382.44  557.642  163.056   1.8735  164.682   1.7444 -1.625839 2.559863 
1 1 1    5   19   22 o   74.706   0.7934  5423.12  115.032  5425.17  164.242  5421.16  161.161   74.719   1.1324   74.693   1.1115 0.2593994E-01 1.586740 
1 1 1    5   19   23 o   71.243   0.7911  4935.03  109.243  4898.00  158.633  4968.44  150.660   70.986   1.1512   71.500   1.0855 -0.5144043 1.582271 
1 1 1    5   19   24 o   66.895   0.8015  4353.72  103.921  4279.69  150.442  4421.28  143.721   66.348   1.1681   67.443   1.0978 -1.095200 1.602993 
1 1 1    5   19   25 o   78.983   0.8355  6062.69  127.897  6173.02  186.802  5965.33  175.477   79.654   1.2081   78.311   1.1543 1.343262 1.670931 
1 1 1    5   19   26 o   55.420   0.8159  2996.65   87.567  2799.79  124.952  3186.64  122.754   53.621   1.2005   57.220   1.1052 -3.598888 1.631707 
1 1 1    5   19   27 f   58.138   0.8096  3294.79   90.937  3285.18  135.245  3302.72  122.853   58.049   1.2002   58.227   1.0869 -0.1779327 1.619231 
1 1 1    5   19   28 o   31.462   1.1313  964.360   68.460  1020.36  105.309  923.370   90.096   32.230   1.6832   30.695   1.5121 1.534725 2.262665 
1 1 1    5   19   29 o   50.714   0.8581  2516.25   83.998  2539.97  125.901  2497.22  112.764   50.907   1.2741   50.522   1.1498 0.3845940 1.716179 
1 1 1    5   19   30 o   20.298   1.7265  426.066   66.084  368.538  101.763  468.016   86.900   18.969   2.7636   21.626   2.0700 -2.657337 3.452909 
1 1 1    5   19   31 o   25.804   1.4394  674.093   70.606  652.418  110.533  689.034   91.768   25.349   2.2463   26.258   1.8004 -0.9093437 2.878736 
1 1 1    5   19   32 o   15.727   2.9862  299.124   92.069  310.740  144.063  291.105  119.705   15.786   4.4886   15.668   3.9399 0.1179504 5.972437 
1 1 1    5   20    0 o  165.857   1.2216 26609.47  385.332 26239.46  495.751 27174.18  612.445  164.408   1.5534  167.305   1.8858 -2.896194 2.443187 
1 1 1    5   20    1 o  163.823   1.1922 25911.47  363.471 25562.91  452.072 26548.75  611.274  162.277   1.4351  165.368   1.9042 -3.091019 2.384450 
1 1 1    5   20    2 o  244.596   1.3987 58101.84  641.845 58158.75  809.867 58005.71  1052.50  244.765   1.7045  244.427   2.2182 0.3379822 2.797476 
1 1 1    5   20    3 o  176.954   1.0489 30395.82  360.293 30401.47  508.639 30390.13  510.429  176.970   1.4806  176.937   1.4861 0.3308105E-01 2.097803 
1 1 1    5   20    4 o   92.991   0.7317  8388.66  131.935  8292.12  181.929  8495.76  191.616   92.427   1.0140   93.555   1.0551 -1.127800 1.463370 
1 1 1    5   20    5 o  426.709   1.6520 176774.09  1368.08 175931.70  1912.35 177657.09  1957.98  425.669   2.3144  427.748   2.3581 -2.079041 3.304040 
1 1 1    5   20    6 o  362.594   1.4345 127615.40  1009.42 126335.80  1408.30 128967.30  1447.56  360.727   2.0112  364.462   2.0461 -3.735504 2.869022 
1 1 1    5   20    7 o  168.435   1.1028 27580.02  359.263 28028.85  489.929 27057.95  528.397  169.921   1.4853  166.949   1.6305 2.971893 2.205582 
1 1 1    5   20    8 o  235.561   1.2284 53867.72  561.631 53717.53  787.212 54023.42  801.515  235.227   1.7240  235.895   1.7504 -0.6678772 2.456825 
1 1 1    5   20    9 o  118.879   0.8757 13716.11  202.032 13617.58  281.930 13820.13  289.661  118.441   1.2262  119.318   1.2506 -0.8772507 1.751474 
1 1 1    5   20   10 o  367.271   1.4812 130977.30  1056.02 130844.80  1490.36 131110.80  1496.54  367.085   2.0915  367.457   2.0980 -0.3724365 2.962468 
1 1 1    5   20   11 o  112.804   0.8375 12356.01  183.253 12258.92  263.604 12446.82  254.933  112.374   1.2084  113.233   1.1598 -0.8588104 1.674948 
1 1 1    5   20   12 o   73.948   0.6702  5308.92   96.184  5263.54  136.913  5353.14  135.152   73.636   0.9578   74.260   0.9376 -0.6242828 1.340329 
1 1 1    5   20   13 o  137.439   1.0110 18347.74  269.326 18239.85  391.141 18445.00  371.394  137.053   1.4702  137.825   1.3882 -0.7722321 2.022013 
1 1 1    5   20   14 o  158.051   1.0216 24253.15  312.900 24330.07  456.234 24184.82  429.949  158.286   1.4848  157.817   1.4035 0.4688416 2.043149 
1 1 1    5   20   15 o   84.926   0.7439  7003.39  122.617  6935.70  174.306  7069.70  172.521   84.519   1.0624   85.333   1.0415 -0.8131256 1.487767 
1 1 1    5   20   16 o  138.035   0.9770 18521.49  261.544 18079.02  375.013 18940.53  364.952  136.426   1.4161  139.644   1.3463 -3.218048 1.953928 
1 1 1    5   20   17 o   77.336   0.7380  5796.61  110.575  5979.45  162.419  5638.65  150.963   78.470   1.0663   76.202   1.0206 2.267387 1.475970 
1 1 1    5   20   18 o   55.769   0.6722  3024.45   72.649  2929.12  104.835  3112.52  100.769   54.922   0.9833   56.617   0.9169 -1.695103 1.344465 
1 1 1    5   20   19 o  144.419   1.2673 20282.62  355.271 20349.70  504.479 20216.62  500.405  144.655   1.7966  144.183   1.7879 0.4723816 2.534610 
1 1 1    5   20   20 o   36.612   0.8457  1298.59   59.791  1337.22   89.786  1267.80   80.147   37.099   1.2468   36.126   1.1429 0.9728088 1.691344 
1 1 1    5   20   21 o   22.870   1.3016  509.466   57.341  505.041   86.433  512.944   76.634   22.777   1.9548   22.963   1.7192 -0.1851997 2.603293 
1 1 1    5   20   22 o   18.781   1.5281  344.317   54.977  340.807   84.672  346.875   72.287   18.691   2.3336   18.870   1.9734 -0.1792431 3.056163 
1 1 1    5   20   23 o   47.195   0.8105  2162.04   74.075  2206.64  109.047  2123.82  100.938   47.644   1.1791   46.745   1.1124 0.8985481 1.620983 
1 1 1    5   20   24 o   65.279   0.7978  4137.69  100.894  4220.76  147.991  4065.55  137.913   65.888   1.1571   64.671   1.0986 1.217331 1.595529 
1 1 1    5   20   25 o   39.284   0.9162  1503.92   69.452  1487.38  103.722  1517.37   93.509   39.081   1.3672   39.487   1.2199 -0.4055901 1.832360 
1 1 1    5   20   26 f   62.636   0.8028  3819.49   97.423  3822.99  142.249  3816.40  133.702   62.657   1.1695   62.615   1.1000 0.4218292E-01 1.605566 
1 1 1    5   20   27 o   54.463   0.8227  2889.72   86.677  2912.06  128.198  2870.91  117.640   54.647   1.2085   54.278   1.1165 0.3689384 1.645329 
1 1 1    5   20   28 o   47.791   0.8501  2231.03   78.229  2235.51  118.410  2227.56  104.209   47.813   1.2758   47.768   1.1238 0.4525375E-01 1.700173 
1 1 1    5   20   29 o   48.169   1.1485  2270.50  107.391   0.0000   0.0000  2270.50  107.391  ?   ?    48.169   1.1485      ?      ? 
1 1 1    5   20   30 o   24.565   1.4350  607.536   67.774  573.198  101.266  635.396   91.214   23.873   2.1852   25.257   1.8605 -1.383673 2.869926 
1 1 1    5   20   31 o   8.6646   2.5087   45.789   66.484   44.857  103.178   46.451   86.939   8.8800   3.6729   8.4493   3.4181 0.4307661 5.017356 
1 1 1    5   20   32 o   14.814   3.0317  269.359   91.532  275.445  140.553  264.878  120.615   14.816   4.4948   14.812   4.0697 0.4061699E-02 6.063447 
1 1 1    5   21    0 o  346.760   1.6639 116749.70  1111.82 116770.20  1485.30 116723.60  1676.74  346.802   2.2063  346.718   2.4913 0.8380127E-01 3.327813 
1 1 1    5   21    1 o  398.251   1.7463 153571.20  1297.03 152474.41  1620.07 155529.30  2164.60  396.297   2.1060  400.205   2.7863 -3.908447 3.492652 
1 1 1    5   21    2 o  400.271   1.7620 155875.80  1325.96 156822.30  1680.56 154314.91  2158.18  401.904   2.1541  398.638   2.7890 3.265564 3.523987 
1 1 1    5   21    3 o  148.213   1.1329 21350.29  312.212 21414.79  389.493 21234.35  522.197  148.530   1.3509  147.895   1.8189 0.6342773 2.265700 
1 1 1    5   21    4 o  337.812   1.3819 110764.30  905.968 109663.90  1265.18 111922.40  1297.92  336.091   1.9392  339.533   1.9692 -3.441742 2.763790 
1 1 1    5   21    5 o  114.582   0.8401 12742.17  186.842 12876.81  266.688 12612.37  261.848  115.176   1.1928  113.988   1.1834 1.188683 1.680247 
1 1 1    5   21    6 f  126.614   0.9827 15559.82  236.958 15573.05  373.268 15550.90  306.678  126.657   1.5182  126.571   1.2482 0.8638000E-01 1.965426 
1 1 1    5   21    7 o  465.638   1.6839 210349.30  1517.19 208253.80  2059.77 212834.50  2243.22  463.113   2.2912  468.163   2.4684 -5.049652 3.367863 
1 1 1    5   21    8 o   43.181   0.5659  1807.19   47.399  1908.26   68.441  1714.02   65.708   44.339   0.7952   42.022   0.8055 2.317238 1.131881 
1 1 1    5   21    9 f   85.461   0.7167  7085.86  118.869  6909.68  165.954  7271.49  170.345   84.371   1.0133   86.551   1.0139 -2.180740 1.433428 
1 1 1    5   21   10 o  237.509   1.2617 54764.67  581.622 54298.93  815.495 55246.84  829.765  236.481   1.7765  238.536   1.7920 -2.054459 2.523313 
1 1 1    5   21   11 o   80.091   0.7006  6220.02  108.803  6361.81  158.354  6093.23  149.750   80.955   1.0077   79.228   0.9737 1.726913 1.401247 
1 1 1    5   21   12 o  157.977   1.0259 24237.29  314.114 24139.82  456.490 24324.94  432.898  157.674   1.4914  158.281   1.4089 -0.6069336 2.051710 
1 1 1    5   21   13 o  117.240   0.8874 13358.33  201.479 13153.46  294.073 13539.57  276.597  116.390   1.3016  118.089   1.2066 -1.699272 1.774851 
1 1 1    5   21   14 o  206.178   1.2650 41302.73  504.897 41126.82  741.123 41455.07  689.709  205.762   1.8555  206.593   1.7198 -0.8315887 2.529955 
1 1 1    5   21   15 o  108.211   0.8412 11370.75  176.639 11361.91  253.352 11379.11  246.404  108.170   1.2066  108.253   1.1726 -0.8326721E-01 1.682491 
1 1 1    5   21   16 o   86.206   0.7613  7212.67  127.242  7290.82  184.896  7142.36  175.376   86.648   1.0993   85.763   1.0534 0.8849792 1.522526 
1 1 1    5   21   17 o   67.805   0.7024  4468.04   92.338  4382.08  133.162  4547.65  128.155   67.176   1.0212   68.435   0.9647 -1.259094 1.404791 
1 1 1    5   21   18 o   47.839   0.6938  2221.48   64.223  2234.34   94.850  2210.58   87.272   47.966   1.0187   47.712   0.9423 0.2537689 1.387660 
1 1 1    5   21   19 o   37.949   0.7726  1385.21   56.504  1508.60   86.425  1293.10   74.674   39.409   1.1297   36.488   1.0543 2.921268 1.545247 
1 1 1    5   21   20 f   31.658   0.9071  972.773   55.281  982.352   83.973  965.445   73.440   31.793   1.3606   31.523   1.2002 0.2702808 1.814298 
1 1 1    5   21   21 o   38.090   0.8234  1412.85   59.932  1391.66   92.993  1427.91   78.381   37.841   1.2660   38.339   1.0532 -0.4972992 1.646777 
1 1 1    5   21   22 o   56.708   0.7619  3119.34   83.578  3184.14  124.065  3065.50  113.090   57.244   1.1165   56.172   1.0371 1.072083 1.523887 
1 1 1    5   21   23 o   37.396   0.9230  1358.44   66.768  1377.28   98.968  1342.70   90.453   37.631   1.3548   37.161   1.2539 0.4698753 1.846020 
1 1 1    5   21   24 o   28.825   1.1529  814.710   63.846  766.494   95.791  853.252   85.643   28.044   1.7596   29.606   1.4902 -1.561779 2.305850 
1 1 1    5   21   25 o   11.422   2.2609  104.834   60.233  241.591   93.164   6.6147   78.954   15.346   3.2297   7.4986   3.1647 7.847266 4.521752 
1 1 1    5   21   26 o   55.279   0.8059  2977.49   86.266  2949.60  126.188  3001.96  118.200   55.029   1.1813   55.529   1.0966 -0.4999313 1.611813 
1 1 1    5   21   27 o   26.218   1.3388  684.987   67.112  592.583   99.190  763.004   91.141   24.531   2.0830   27.906   1.6825 -3.374571 2.677634 
1 1 1    5   21   28 o   55.777   0.8257  3046.95   88.673  2980.53  133.396  3099.53  118.692   55.206   1.2448   56.348   1.0851 -1.142326 1.651355 
1 1 1    5   21   29 o   43.663   0.9002  1872.41   75.318  1847.54  115.733  1890.68   99.199   43.375   1.3745   43.951   1.1627 -0.5763245 1.800345 
1 1 1    5   21   30 o   19.117   2.2051  377.712   74.025  411.391  133.169  362.652   89.051   19.340   3.6817   18.894   2.4281 0.4463806 4.410243 
1 1 1    5   21   31 o   34.839   1.2660  1225.90   84.774  1364.17  117.125  1073.77  122.856   37.011   1.6302   32.666   1.9375 4.345387 2.532098 
1 1 1    5   21   32 o   29.589   1.6460  901.370   93.614  940.327  143.837  872.741  123.304   30.026   2.4677   29.151   2.1790 0.8754864 3.292085 
1 1 1    5   22    0 o  237.989   1.3788 54993.51  615.816 55013.79  777.320 54959.32  1009.16  238.056   1.6821  237.923   2.1850 0.1328125 2.757524 
1 1 1    5   22    1 o   31.355   2.3368  967.334  134.755  995.454  167.173  915.166  227.703   32.018   2.6897   30.692   3.8219 1.325724 4.673506 
1 1 1    5   22    2 o  253.805   1.4277 62521.05  679.272 62467.46  855.704 62612.35  1116.94  253.667   1.7378  253.943   2.2658 -0.2758179 2.855491 
1 1 1    5   22    3 o  167.486   1.2183 27112.73  379.848 26816.52  472.905 27651.31  637.672  166.207   1.4657  168.764   1.9465 -2.557220 2.436641 
1 1 1    5   22    4 f   83.638   0.8214  6803.01  126.462  6830.59  155.980  6750.11  216.032   83.887   0.9579   83.389   1.3346 0.4984360 1.642750 
1 1 1    5   22    5 o  230.287   1.2061 51467.29  539.037 50689.26  752.928 52285.37  772.058  228.503   1.6975  232.072   1.7138 -3.569168 2.412152 
1 1 1    5   22    6 o  156.861   1.0068 23883.72  306.534 23771.71  429.845 23999.63  437.259  156.487   1.4150  157.235   1.4326 -0.7480927 2.013622 
1 1 1    5   22    7 f  236.759   1.2258 54420.67  563.351 54512.43  795.221 54328.23  798.184  236.959   1.7288  236.558   1.7382 0.4010315 2.451560 
1 1 1    5   22    8 o  262.578   1.2893 66929.40  657.059 66360.70  919.520 67522.75  939.238  261.439   1.8119  263.717   1.8347 -2.278046 2.578587 
1 1 1    5   22    9 o  315.959   1.4011 96919.68  859.167 96287.96  1202.36 97578.80  1228.15  314.908   1.9669  317.010   1.9958 -2.102020 2.802114 
1 1 1    5   22   10 o  186.101   1.1255 33623.16  406.545 33451.88  569.693 33800.90  580.336  185.619   1.5811  186.584   1.6023 -0.9650116 2.251032 
1 1 1    5   22   11 o   81.074   0.8306  6376.78  124.713  6395.60  210.887  6366.65  154.654   81.164   1.3385   80.985   0.9838 0.1786499 1.661143 
1 1 1    5   22   12 o  118.587   0.8711 13659.83  200.369 13474.34  287.887 13834.10  279.050  117.805   1.2589  119.369   1.2043 -1.564049 1.742164 
1 1 1    5   22   13 o  148.222   0.9912 21335.84  284.834 21291.27  413.203 21376.20  393.175  148.073   1.4375  148.372   1.3651 -0.2986450 1.982443 
1 1 1    5   22   14 o   71.985   0.8181  5005.18  109.630  4940.74  136.432  5122.61  184.180   71.338   0.9852   72.632   1.3063 -1.294098 1.636176 
1 1 1    5   22   15 o  224.564   1.5159 49072.45  654.781 49361.56  870.673 48696.07  993.421  225.352   1.9903  223.776   2.2869 1.576096 3.031754 
1 1 1    5   22   16 o   21.756   1.0933  460.472   45.984  452.994   67.878  466.815   62.514   21.592   1.6195   21.921   1.4691 -0.3290882 2.186574 
1 1 1    5   22   17 o   64.032   0.6896  3983.30   85.624  3935.90  123.519  4027.15  118.800   63.665   0.9995   64.400   0.9503 -0.7353439 1.379145 
1 1 1    5   22   18 o   57.233   0.6968  3183.81   77.314  3120.62  111.546  3242.23  107.257   56.685   1.0137   57.781   0.9563 -1.095882 1.393569 
1 1 1    5   22   19 o   64.386   0.8667  4037.90  104.324  4066.82  131.214  3988.21  172.006   64.708   1.0446   64.063   1.3832 0.6451263 1.733301 
1 1 1    5   22   20 o   68.564   0.7469  4570.52   99.279  4468.69  143.038  4665.18  137.906   67.825   1.0864   69.303   1.0251 -1.478363 1.493702 
1 1 1    5   22   21 f   91.760   0.8740  8180.33  155.531  8244.84  225.332  8121.63  214.943   92.103   1.2603   91.417   1.2112 0.6859894 1.748013 
1 1 1    5   22   22 o   83.647   0.8443  6795.42  137.015  6941.36  197.895  6661.05  189.891   84.508   1.2064   82.786   1.1816 1.721527 1.688649 
1 1 1    5   22   23 o   42.644   0.8707  1776.56   71.728  1640.36  103.896  1900.59   99.147   41.071   1.3032   44.218   1.1551 -3.147041 1.741406 
1 1 1    5   22   24 o   62.295   0.7815  3779.86   94.235  3669.85  137.400  3877.57  129.487   61.432   1.1522   63.157   1.0562 -1.724224 1.563038 
1 1 1    5   22   25 o   9.1335   2.4368   58.006   60.635   20.578   88.906   90.557   82.910   8.2429   3.4094   10.024   3.4826 -1.781303 4.873678 
1 1 1    5   22   26 o   42.876   0.8896  1786.13   73.664  1848.45  110.666  1736.55   98.711   43.538   1.3094   42.215   1.2046 1.323215 1.779219 
1 1 1    5   22   27 o   20.022   1.6616  397.662   64.364  382.909   93.829  410.774   88.458   19.652   2.4596   20.392   2.2347 -0.7400341 3.323182 
1 1 1    5   22   28 o   66.634   0.8220  4339.63  106.029  4341.71  155.891  4337.84  144.637   66.632   1.2052   66.637   1.1181 -0.5050659E-02 1.644034 
1 1 1    5   22   29 o   40.398   0.9540  1605.95   74.531  1553.31  109.154  1651.92  102.013   39.754   1.4145   41.043   1.2804 -1.288757 1.907935 
1 1 1    5   22   30 o   27.442   1.3173  748.974   69.836  780.783  104.813  723.579   93.652   27.934   1.9329   26.949   1.7902 0.9852676 2.634589 
1 1 1    5   22   31 o   14.468   3.0291  246.965   89.060  257.085  147.559  241.166  111.700   14.522   4.6374   14.413   3.8983 0.1090794 6.058209 
1 1 1    5   23    0 o  346.766   1.5750 116503.20  1026.48 115769.70  1296.37 117736.00  1680.67  345.321   1.9339  348.211   2.4864 -2.890289 3.149973 
1 1 1    5   23    1 o  328.726   1.5643 105032.10  968.434 105387.40  1229.81 104452.20  1571.22  329.472   1.9229  327.979   2.4679 1.493317 3.128577 
1 1 1    5   23    2 o  227.628   1.3715 50362.84  585.800 50532.54  739.843 50077.68  959.083  228.151   1.6705  227.106   2.1755 1.045578 2.742904 
1 1 1    5   23    3 f  104.040   1.0476 10483.93  210.629 10268.05  283.420 10750.26  314.793  102.847   1.4196  105.233   1.5410 -2.385826 2.095249 
1 1 1    5   23    4 o  252.667   1.4343 61735.60  678.270 61064.86  850.487 62907.65  1124.25  250.799   1.7469  254.534   2.2754 -3.734894 2.868639 
1 1 1    5   23    5 o   76.155   0.7848  5598.00  109.101  5537.94  132.939  5721.93  190.945   75.534   0.9067   76.776   1.2812 -1.242043 1.569555 
1 1 1    5   23    6 o   99.212   0.9226  9558.96  169.828  9568.97  211.198  9540.64  285.680   99.287   1.0958   99.136   1.4845 0.1513214 1.845142 
1 1 1    5   23    7 o   77.474   0.6646  5825.83   99.946  5794.93  140.316  5857.65  142.398   77.266   0.9355   77.683   0.9443 -0.4169312 1.329252 
1 1 1    5   23    8 o  187.439   1.1242 34107.98  409.031 34041.66  577.866 34174.58  579.051  187.256   1.5897  187.622   1.5899 -0.3652191 2.248341 
1 1 1    5   23    9 o  113.797   0.8602 12570.86  190.013 12484.31  268.145 12658.15  269.297  113.403   1.2181  114.190   1.2149 -0.7868729 1.720377 
1 1 1    5   23   10 o   83.178   0.7120  6715.90  114.951  6726.01  163.467  6706.01  161.677   83.240   1.0117   83.116   1.0021 0.1237335 1.423940 
1 1 1    5   23   11 o  178.976   1.0918 31079.73  378.239 31412.42  557.846 30796.63  514.591  179.859   1.5978  178.093   1.4885 1.766235 2.183697 
1 1 1    5   23   12 o   71.210   0.8060  4904.78  105.930  4864.24  130.635  4982.61  181.012   70.785   0.9507   71.635   1.3017 -0.8494949 1.611938 
1 1 1    5   23   13 o  220.041   1.3106 47080.60  558.058 46385.44  819.039 47682.99  762.425  218.516   1.9309  221.566   1.7727 -3.050522 2.621201 
1 1 1    5   23   14 o  201.438   1.1636 39436.46  453.895 39105.90  664.006 39726.40  621.871  200.639   1.7049  202.237   1.5841 -1.597443 2.327199 
1 1 1    5   23   15 o   77.487   0.7037  5829.94  105.838  5824.74  150.640  5835.02  148.733   77.452   1.0019   77.521   0.9884 -0.6867981E-01 1.407403 
1 1 1    5   23   16 o   32.918   0.7952  1056.53   50.606  981.337   73.086  1125.79   70.141   31.787   1.1844   34.049   1.0612 -2.261389 1.590313 
1 1 1    5   23   17 o   52.232   0.6738  2651.06   68.267  2576.75   97.475  2722.60   95.639   51.513   0.9748   52.952   0.9304 -1.438835 1.347566 
1 1 1    5   23   18 o  112.268   0.9266 12244.63  201.763 12282.32  291.831 12210.12  279.257  112.431   1.3371  112.105   1.2833 0.3261337 1.853299 
1 1 1    5   23   19 o   50.886   0.7305  2517.13   72.048  2472.95  104.336  2557.40   99.611   50.458   1.0652   51.314   1.0000 -0.8566055 1.461060 
1 1 1    5   23   20 f   27.994   1.0537  764.178   57.045  729.178   83.149  795.301   78.409   27.384   1.5642   28.604   1.4121 -1.219522 2.107318 
1 1 1    5   23   21 o   96.705   0.9114  9090.94  171.037  8809.19  240.989  9376.91  242.788   95.194   1.3041   98.217   1.2734 -3.023140 1.822747 
1 1 1    5   23   22 o   47.346   1.0036  2134.60   87.202  2045.63  106.103  2319.78  153.070   45.873   1.1915   48.819   1.6152 -2.945637 2.007176 
1 1 1    5   23   23 o   63.785   0.7698  3949.13   95.092  4029.34  139.889  3880.24  129.654   64.383   1.1193   63.186   1.0571 1.197330 1.539548 
1 1 1    5   23   24 o   26.309   1.1999  668.516   60.840  725.911   92.993  625.565   80.445   27.283   1.7559   25.335   1.6357 1.947876 2.399739 
1 1 1    5   23   25 o   35.319   0.9861  1217.06   67.469  1194.61   98.098  1237.21   92.942   35.004   1.4437   35.633   1.3437 -0.6294403 1.972245 
1 1 1    5   23   26 o   59.831   0.7912  3478.44   91.509  3580.38  136.584  3395.42  123.266   60.616   1.1608   59.046   1.0754 1.570007 1.582384 
1 1 1    5   23   27 f   21.596   1.5269  458.362   63.829  493.724   94.759  428.990   86.359   22.351   2.1841   20.842   2.1345 1.508316 3.053893 
1 1 1    5   23   28 o   52.607   0.8306  2703.98   84.496  2736.73  125.422  2676.75  114.338   52.882   1.2218   52.332   1.1255 0.5501823 1.661209 
1 1 1    5   23   29 o   35.914   1.0590  1273.48   73.490  1236.08  108.338  1305.35  100.020   35.396   1.5767   36.432   1.4143 -1.036095 2.118085 
1 1 1    5   23   30 o   10.364   2.4221   82.690   66.272  206.804   98.350 -20.5361   89.693   13.591   3.6504   7.1376   3.1845 6.453367 4.844249 
1 1 1    5   23   31 o   13.457   2.9914  190.586   88.293  326.648  145.985  112.110  110.868   16.354   4.4706   10.560   3.9758 5.793809 5.982758 
1 1 1    5   24    0 o  378.844   1.6626 139581.80  1202.77 140612.80  1569.07 138112.91  1872.95  380.557   2.1240  377.130   2.5584 3.427429 3.325185 
1 1 1    5   24    1 o  326.369   1.5670 103403.80  962.570 103344.20  1220.01 103502.20  1566.66  326.259   1.9263  326.479   2.4720 -0.2190552 3.133965 
1 1 1    5   24    2 f  209.025   1.3420 42307.75  523.790 42017.70  655.385 42820.57  871.455  208.043   1.6228  210.006   2.1377 -1.962357 2.683920 
1 1 1    5   24    3 o  123.848   1.0407 14820.72  238.025 14668.44  293.572 15112.90  406.645  122.927   1.2303  124.769   1.6790 -1.842049 2.081466 
1 1 1    5   24    4 o   26.705   0.7815  684.106   37.073  672.427   44.076  712.351   68.544   26.320   0.8627   27.089   1.3035 -0.7690716 1.563086 
1 1 1    5   24    5 o  301.087   1.5454 87862.76  873.980 87394.59  1102.98 88652.66  1432.69  300.026   1.8938  302.148   2.4427 -2.121582 3.090851 
1 1 1    5   24    6 o  179.157   1.2917 31253.04  430.847 31484.23  538.940 30843.64  717.177  180.086   1.5417  178.228   2.0729 1.857758 2.583375 
1 1 1    5   24    7 o  101.787   0.9592 10031.81  180.655  9973.01  223.559 10142.45  306.683  101.361   1.1362  102.213   1.5457 -0.8521881 1.918355 
1 1 1    5   24    8 o  240.066   1.2529 55953.22  583.802 56909.96  828.608 55010.14  822.664  242.104   1.7631  238.028   1.7804 4.076172 2.505708 
1 1 1    5   24    9 o   84.940   0.8434  7001.33  133.679  7013.40  222.235  6994.49  167.337   84.995   1.3470   84.885   1.0155 0.1103058 1.686893 
1 1 1    5   24   10 f  171.074   1.1027 28415.44  366.168 28751.62  519.289 28082.99  516.401  172.080   1.5546  170.067   1.5642 2.013046 2.205346 
1 1 1    5   24   11 o  256.410   1.3279 63847.33  660.857 63136.35  925.081 64588.31  944.405  254.953   1.8692  257.866   1.8867 -2.913162 2.655832 
1 1 1    5   24   12 o  185.184   1.1006 33310.05  394.796 33205.78  577.084 33401.79  541.287  184.908   1.6078  185.460   1.5035 -0.5521393 2.201244 
1 1 1    5   24   13 o   89.357   0.7706  7736.84  133.439  7997.15  195.732  7510.79  182.394   90.758   1.1110   87.956   1.0683 2.802025 1.541277 
1 1 1    5   24   14 o   56.542   0.6361  3105.16   69.787  3003.24   98.961  3205.97   98.428   55.618   0.9166   57.465   0.8824 -1.847176 1.272297 
1 1 1    5   24   15 o   35.337   0.7218  1210.91   49.366  1232.35   72.934  1192.77   67.062   35.624   1.0547   35.049   0.9857 0.5757523 1.443574 
1 1 1    5   24   16 o  126.255   0.9933 15492.76  243.240 15310.51  350.056 15662.90  338.235  125.534   1.4365  126.976   1.3722 -1.441925 1.986614 
1 1 1    5   24   17 o   77.444   0.7657  5819.17  115.024  5965.60  166.633  5685.89  158.973   78.374   1.0953   76.515   1.0703 1.858368 1.531409 
1 1 1    5   24   18 o   93.727   0.8560  8532.48  155.632  8574.68  224.671  8493.55  215.791   93.948   1.2320   93.506   1.1889 0.4425125 1.712044 
1 1 1    5   24   19 o   19.870   1.3652  388.400   51.761  358.493   79.127  410.770   68.434   19.189   2.1242   20.552   1.7154 -1.362467 2.730371 
1 1 1    5   24   20 f   89.662   0.8402  7806.60  146.051  7902.93  212.525  7720.40  201.047   90.183   1.2140   89.140   1.1619 1.043236 1.680399 
1 1 1    5   24   21 o   65.769   0.7659  4205.52   97.712  4113.86  139.858  4292.93  136.573   65.067   1.1073   66.471   1.0584 -1.404312 1.531795 
1 1 1    5   24   22 o   47.687   0.8033  2193.93   73.914  2355.30  112.181  2070.12   98.257   49.223   1.1740   46.151   1.0968 3.071449 1.606636 
1 1 1    5   24   23 o   35.931   0.9242  1267.37   63.602  1173.77   96.061  1340.42   84.868   34.731   1.4248   37.130   1.1775 -2.398800 1.848402 
1 1 1    5   24   24 o   54.086   0.7918  2846.62   82.963  2823.94  120.914  2866.79  114.043   53.878   1.1561   54.293   1.0821 -0.4149246 1.583500 
1 1 1    5   24   25 o   21.410   1.4890  454.067   61.166  410.367   90.850  490.299   82.723   20.439   2.2899   22.382   1.9040 -1.943460 2.978019 
1 1 1    5   24   26 o   28.445   1.1848  810.190   63.731  691.621   97.300  899.278   84.341   26.548   1.8881   30.343   1.4319 -3.794792 2.369655 
1 1 1    5   24   27 o   11.617   2.5139  139.633   62.259  123.422   91.290  153.730   85.129   11.118   3.6553   12.116   3.4523 -0.9974079 5.027852 
1 1 1    5   24   28 o   36.612   1.0096  1316.60   71.237  1318.69  107.363  1314.96   95.215   36.612   1.5106   36.613   1.3397 -0.5226135E-03 2.019125 
1 1 1    5   24   29 o   28.285   1.2911  809.524   69.341  702.330  105.033  892.340   92.320   26.514   2.0408   30.057   1.5823 -3.543581 2.582301 
1 1 1    5   24   30 o   17.112   2.1450  311.704   69.414  306.817  102.329  315.868   94.473   16.780   3.2589   17.444   2.7900 -0.6632805 4.290071 
1 1 1    5   24   31 o   17.401   2.6213  317.660   86.669  501.850  144.500  214.169  108.315   21.315   3.4924   13.487   3.9099 7.828017 5.242501 
1 1 1    5   25    0 o   94.622   0.8824  8727.07  154.243  8809.75  191.250  8573.21  260.884   95.268   1.0342   93.977   1.4301 1.291260 1.764840 
1 1 1    5   25    1 o  156.279   1.1595 23675.28  338.082 23585.49  422.838 23834.41  562.912  155.873   1.3975  156.684   1.8508 -0.8112488 2.319090 
1 1 1    5   25    2 o  262.363   1.4665 66626.70  720.674 66056.85  905.163 67613.38  1191.08  260.847   1.7876  263.879   2.3253 -3.032166 2.932987 
1 1 1    5   25    3 o  319.400   1.5716 98975.95  943.551 98738.61  1192.95 99372.49  1542.02  318.905   1.9271  319.895   2.4832 -0.9903564 3.143246 
1 1 1    5   25    4 o  178.561   1.2741 30823.51  423.951 30492.82  528.539 31420.14  709.942  177.230   1.5363  179.891   2.0330 -2.661041 2.548233 
1 1 1    5   25    5 o   85.791   0.8583  7190.10  136.491  7301.29  170.170  6989.55  228.548   86.728   1.0108   84.853   1.3875 1.875320 1.716664 
1 1 1    5   25    6 o  239.349   1.4335 55415.11  642.831 54835.80  807.300 56418.84  1062.64  237.658   1.7499  241.040   2.2711 -3.382492 2.867051 
1 1 1    5   25    7 o  131.066   1.2454 16688.05  314.774 16764.30  422.162 16592.58  472.373  131.406   1.6550  130.726   1.8615 0.6795654 2.490807 
1 1 1    5   25    8 o  172.843   1.2793 28957.46  411.015 28832.74  511.591 29184.50  690.279  172.330   1.5293  173.357   2.0512 -1.027237 2.558600 
1 1 1    5   25    9 o  119.004   0.8794 13746.32  203.125 13914.92  289.676 13583.22  284.906  119.722   1.2464  118.287   1.2408 1.435410 1.758752 
1 1 1    5   25   10 o  247.341   1.2933 59408.01  620.890 58885.09  871.375 59947.33  884.925  246.236   1.8230  248.446   1.8349 -2.210037 2.586538 
1 1 1    5   25   11 o   91.049   0.7630  8047.43  134.855  7961.85  189.536  8135.17  191.915   90.559   1.0782   91.539   1.0800 -0.9803009 1.526097 
1 1 1    5   25   12 o  127.513   0.9270 15795.11  229.265 15582.85  329.685 15993.88  319.037  126.682   1.3407  128.344   1.2806 -1.662239 1.853972 
1 1 1    5   25   13 o  186.636   1.1638 33831.18  421.631 33505.12  592.568 34165.55  600.056  185.725   1.6436  187.546   1.6482 -1.821121 2.327693 
1 1 1    5   25   14 o   76.609   0.6983  5699.17  103.823  5662.58  148.223  5734.42  145.471   76.367   0.9999   76.851   0.9751 -0.4835892 1.396649 
1 1 1    5   25   15 o   83.447   0.7494  6762.14  121.368  6776.75  170.048  6746.97  173.278   83.539   1.0486   83.354   1.0709 0.1845856 1.498807 
1 1 1    5   25   16 o  181.249   1.2172 31942.18  427.033 31782.39  627.164 32080.30  583.075  180.816   1.7868  181.682   1.6533 -0.8658752 2.434354 
1 1 1    5   25   17 o   31.876   0.8210  985.865   50.539  997.876   75.611  976.166   67.947   32.050   1.2153   31.702   1.1041 0.3481541 1.641974 
1 1 1    5   25   18 o   52.240   0.7074  2653.54   71.652  2561.81  102.698  2740.55  100.017   51.358   1.0301   53.122   0.9699 -1.763481 1.414881 
1 1 1    5   25   19 o   74.710   0.7658  5419.34  110.925  5475.10  161.177  5369.17  152.893   75.074   1.1060   74.347   1.0594 0.7271805 1.531510 
1 1 1    5   25   20 o   56.260   0.7410  3077.84   80.825  3005.89  116.420  3144.80  112.300   55.624   1.0782   56.897   1.0168 -1.273804 1.482012 
1 1 1    5   25   21 o   49.776   0.7704  2416.12   73.955  2323.55  109.862  2492.83  100.007   48.898   1.1574   50.655   1.0171 -1.757046 1.540791 
1 1 1    5   25   22 o   89.409   0.8803  7763.72  152.648  7966.28  221.563  7580.69  210.607   90.516   1.2610   88.302   1.2287 2.213821 1.760594 
1 1 1    5   25   23 o   49.647   0.7915  2393.67   76.136  2436.77  111.614  2356.15  104.120   50.062   1.1485   49.232   1.0895 0.8308449 1.583075 
1 1 1    5   25   24 o   11.658   2.1934  130.783   60.048   6.6021   87.209  242.733   82.803   7.8587   3.3219   15.458   2.8651 -7.598989 4.386725 
1 1 1    5   25   25 o   19.345   1.6278  372.111   60.285  337.043   90.381  400.217   80.914   18.490   2.5181   20.200   2.0635 -1.709951 3.255624 
1 1 1    5   25   26 o   47.387   0.8384  2194.57   76.842  2119.33  112.383  2260.64  105.303   46.612   1.2421   48.162   1.1264 -1.550262 1.676719 
1 1 1    5   25   27 o   39.234   0.9451  1514.45   71.560  1403.73  104.395  1612.59   98.284   37.853   1.4207   40.615   1.2466 -2.761784 1.890115 
1 1 1    5   25   28 o   43.006   0.9086  1806.36   75.344  1873.76  114.188  1754.40  100.270   43.693   1.3463   42.320   1.2206 1.372643 1.817235 
1 1 1    5   25   29 o   31.536   1.1268  974.933   68.204  1040.19  105.959  928.766   89.120   32.394   1.6850   30.678   1.4965 1.716675 2.253648 
1 1 1    5   25   30 o   10.821   2.5260  116.499   69.258   21.522  101.702  198.635   94.578   8.3508   3.5608   13.292   3.5838 -4.940839 5.052037 
1 1 1    5   25   31 o   10.805   2.9186  105.613   84.824  187.778  137.259   54.847  107.892   12.546   4.4707   9.0642   3.7530 3.482253 5.837171 
1 1 1    5   26    0 o  328.349   1.6407 104431.10  1026.40 103373.70  1326.49 106008.90  1620.31  326.296   2.0942  330.402   2.5263 -4.106201 3.281498 
1 1 1    5   26    1 o  184.947   1.2717 33056.34  438.471 32671.98  546.832 33748.45  733.792  183.455   1.5355  186.439   2.0275 -2.984451 2.543389 
1 1 1    5   26    2 o  149.175   1.2875 21619.69  370.257 21733.75  496.071 21476.23  556.341  149.622   1.7080  148.728   1.9270 0.8940125 2.574980 
1 1 1    5   26    3 o  356.722   1.6421 123536.70  1102.52 123439.90  1397.35 123696.20  1794.52  356.558   2.0189  356.886   2.5903 -0.3276672 3.284137 
1 1 1    5   26    4 o  219.683   1.3998 46884.79  575.505 46956.38  723.756 46761.70  949.058  219.923   1.6953  219.444   2.2279 0.4783630 2.799625 
1 1 1    5   26    5 o   82.048   0.8477  6507.22  127.584  6451.30  156.302  6618.86  220.858   81.524   0.9877   82.573   1.3779 -1.048386 1.695307 
1 1 1    5   26    6 o  197.809   1.3710 38033.31  505.036 38139.87  631.189 37843.70  841.978  198.205   1.6405  197.413   2.1972 0.7919769 2.742039 
1 1 1    5   26    7 o  171.046   1.2492 28504.82  399.248 28772.42  502.054 28044.47  658.491  172.151   1.5024  169.941   1.9961 2.209915 2.498317 
1 1 1    5   26    8 o   65.544   0.7842  4206.31   94.409  4284.10  116.605  4058.27  160.854   66.434   0.9042   64.655   1.2816 1.778328 1.568489 
1 1 1    5   26    9 o  102.048   0.9831 10098.41  184.495 10072.06  226.948 10149.76  316.809  101.858   1.1478  102.239   1.5963 -0.3815689 1.966122 
1 1 1    5   26   10 o  114.872   1.0558 12760.11  223.613 12644.16  275.399 12984.46  383.089  114.118   1.2432  115.626   1.7068 -1.508125 2.111558 
1 1 1    5   26   11 o   31.406   0.9091  962.690   51.512  944.100   91.255  971.384   62.406   31.180   1.5077   31.632   1.0163 -0.4520245 1.818277 
1 1 1    5   26   12 o   98.386   0.7936  9398.71  151.532  9367.21  216.421  9429.00  212.237   98.224   1.1351   98.548   1.1094 -0.3241348 1.587204 
1 1 1    5   26   13 o   41.152   0.6424  1640.75   51.194  1690.28   75.486  1598.56   69.664   41.725   0.9320   40.578   0.8844 1.147247 1.284807 
1 1 1    5   26   14 o   80.079   0.7262  6226.48  112.871  6243.10  161.066  6210.45  158.219   80.184   1.0348   79.974   1.0192 0.2094193 1.452404 
1 1 1    5   26   15 o   42.357   0.6744  1742.79   55.344  1730.04   80.694  1754.12   76.050   42.210   0.9848   42.504   0.9217 -0.2939949 1.348886 
1 1 1    5   26   16 o   60.515   0.7887  3564.19   89.456  3585.98  112.869  3527.37  146.698   60.770   0.9568   60.261   1.2541 0.5085907 1.577393 
1 1 1    5   26   17 o   41.516   0.7234  1674.51   58.253  1592.78   82.136  1757.22   82.630   40.496   1.0448   42.537   1.0007 -2.040276 1.446762 
1 1 1    5   26   18 o   30.389   0.8954  895.220   52.449  913.839   79.385  880.797   69.870   30.667   1.3335   30.110   1.1954 0.5560913 1.790885 
1 1 1    5   26   19 o   99.019   0.8962  9522.01  172.106  9659.84  249.410  9396.71  237.795   99.701   1.2887   98.338   1.2457 1.363319 1.792347 
1 1 1    5   26   20 o   90.955   0.8749  8043.04  154.408  7924.02  220.276  8158.01  216.505   90.291   1.2568   91.618   1.2174 -1.327423 1.749703 
1 1 1    5   26   21 o   48.341   0.7898  2276.88   73.751  2205.57  108.863  2337.37  100.266   47.636   1.1773   49.045   1.0531 -1.409649 1.579595 
1 1 1    5   26   22 f   34.037   0.9937  1133.98   65.205  1049.36   95.683  1207.36   89.096   32.839   1.5010   35.235   1.3026 -2.396717 1.987420 
1 1 1    5   26   23 f   26.444   1.2324  676.132   62.995  745.872   94.508  620.374   84.505   27.660   1.7601   25.228   1.7256 2.431973 2.464880 
1 1 1    5   26   24 o   51.042   0.8073  2538.64   79.688  2496.86  117.393  2574.34  108.521   50.646   1.1941   51.438   1.0868 -0.7926292 1.614628 
1 1 1    5   26   25 o   29.503   1.0960  841.230   62.145  912.638   96.255  790.189   81.379   30.556   1.6228   28.450   1.4736 2.106104 2.191979 
1 1 1    5   26   26 o   58.728   0.8059  3364.86   91.808  3274.26  131.059  3452.16  128.647   57.946   1.1652   59.511   1.1136 -1.565403 1.611745 
1 1 1    5   26   27 o   37.511   0.9638  1384.62   69.500  1329.24  104.636  1428.34   92.972   36.810   1.4644   38.212   1.2534 -1.401859 1.927526 
1 1 1    5   26   28 o   32.358   1.1142  1038.15   69.199  985.933  104.481  1078.95   92.361   31.587   1.7040   33.129   1.4362 -1.541899 2.228499 
1 1 1    5   26   29 o   17.501   2.0458  311.190   65.147  479.276  101.247  192.428   85.105   21.731   2.4001   13.270   3.3138 8.461686 4.091698 
1 1 1    5   26   30 o   26.226   1.3929  693.728   70.702  678.514  103.312  707.130   96.965   25.914   2.0538   26.539   1.8822 -0.6246319 2.785823 
1 1 1    5   26   31 o   25.220   2.0186  658.835   96.462  773.465  158.385  591.245  121.620   26.750   3.0502   23.690   2.6447 3.060301 4.037127 
1 1 1    5   27    0 o  356.637   1.6262 123218.50  1087.64 122399.30  1369.04 124620.30  1790.88  355.055   1.9863  358.219   2.5754 -3.163879 3.252459 
1 1 1    5   27    1 o  198.097   1.3289 37871.00  491.000 37288.85  612.165 38921.00  822.130  195.984   1.6091  200.210   2.1154 -4.225769 2.657833 
1 1 1    5   27    2 o   58.212   0.8168  3291.89   92.203  3353.96  128.275  3225.54  132.624   58.781   1.1242   57.644   1.1852 1.136703 1.633578 
1 1 1    5   27    3 o  174.199   1.2613 29508.03  410.960 29636.34  516.812 29287.35  677.740  174.721   1.5238  173.675   2.0103 1.046112 2.522534 
1 1 1    5   27    4 o   88.186   1.0065  7550.38  171.881  7561.95  235.099  7537.09  251.927   88.260   1.3722   88.113   1.4729 0.1463852 2.013051 
1 1 1    5   27    5 o  282.626   1.5400 77427.73  815.621 77042.60  1025.94 78089.22  1344.55  281.690   1.8762  283.562   2.4427 -1.872070 3.080074 
1 1 1    5   27    6 o  194.941   1.3369 36984.11  487.630 37217.04  613.800 36585.54  802.902  195.787   1.6150  194.096   2.1310 1.691254 2.673838 
1 1 1    5   27    7 o  107.300   1.0073 11150.60  199.312 11091.38  245.724 11264.48  340.776  106.889   1.1843  107.711   1.6298 -0.8217697 2.014657 
1 1 1    5   27    8 o  178.380   1.3138 30820.82  434.300 30635.34  538.378 31166.40  734.875  177.628   1.5614  179.132   2.1134 -1.504333 2.627600 
1 1 1    5   27    9 o  117.447   1.0670 13458.72  232.526 13617.32  289.998 13173.17  389.122  118.429   1.2615  116.465   1.7212 1.963539 2.133938 
1 1 1    5   27   10 o  108.832   1.0008 11486.72  201.702 11452.38  250.021 11550.73  341.344  108.607   1.1859  109.057   1.6124 -0.4498901 2.001561 
1 1 1    5   27   11 o   93.730   0.9470  8506.86  163.562  8455.69  201.458  8605.82  280.165   93.324   1.1121   94.137   1.5332 -0.8125000 1.894009 
1 1 1    5   27   12 o   75.730   0.7034  5566.53  103.357  5611.77  148.668  5524.21  143.793   76.027   1.0074   75.432   0.9820 0.5949402 1.406805 
1 1 1    5   27   13 o  119.607   0.9016 13897.47  209.279 13610.27  297.139 14180.17  294.805  118.380   1.2931  120.835   1.2568 -2.455147 1.803220 
1 1 1    5   27   14 o   99.087   0.8153  9533.51  156.744  9579.32  225.394  9490.61  218.123   99.317   1.1691   98.857   1.1367 0.4593887 1.630579 
1 1 1    5   27   15 o   90.130   0.7793  7887.27  136.317  7966.27  195.411  7812.38  190.256   90.569   1.1115   89.691   1.0928 0.8781815 1.558696 
1 1 1    5   27   16 o   98.886   0.8432  9497.92  161.854  9346.59  228.088  9651.40  229.714   98.092   1.1979   99.680   1.1872 -1.587318 1.686486 
1 1 1    5   27   17 o   55.250   0.6721  2965.81   72.044  2856.85  102.054  3074.06  101.718   54.238   0.9693   56.263   0.9313 -2.025349 1.344239 
1 1 1    5   27   18 f  105.845   0.9558 10884.43  196.210 10952.97  283.707 10821.59  271.653  106.162   1.3767  105.528   1.3261 0.6336746 1.911509 
1 1 1    5   27   19 f   71.013   0.7651  4900.12  105.228  4882.85  153.959  4915.26  144.153   70.894   1.1187   71.133   1.0440 -0.2393036 1.530184 
1 1 1    5   27   20 o   67.760   0.7676  4458.99  100.839  4505.78  146.629  4417.01  138.900   68.095   1.1093   67.425   1.0613 0.6708069 1.535167 
1 1 1    5   27   21 o   54.243   0.7629  2863.93   80.158  2778.97  116.168  2941.15  110.746   53.471   1.1192   55.015   1.0370 -1.543598 1.525775 
1 1 1    5   27   22 o   96.177   0.9260  8997.49  172.866  8887.05  244.933  9107.10  244.008   95.587   1.3200   96.767   1.2990 -1.179398 1.852000 
1 1 1    5   27   23 o   68.666   0.7991  4585.97  106.371  4578.62  154.463  4592.59  146.701   68.610   1.1598   68.722   1.0997 -0.1119308 1.598242 
1 1 1    5   27   24 o   34.069   0.9912  1128.74   65.293  1159.94   97.258  1103.14   88.097   34.491   1.4526   33.646   1.3488 0.8444176 1.982301 
1 1 1    5   27   25 o   51.517   0.8091  2591.85   80.621  2503.02  117.899  2669.86  110.493   50.677   1.1985   52.358   1.0871 -1.681107 1.618114 
1 1 1    5   27   26 o   33.177   1.0612  1078.92   68.093  1057.56  100.108  1097.31   92.893   32.858   1.5695   33.496   1.4286 -0.6381798 2.122349 
1 1 1    5   27   27 o   17.276   1.8376  298.662   61.133  312.201   93.294  288.475   80.930   17.585   2.7330   16.967   2.4572 0.6184959 3.675244 
1 1 1    5   27   28 o   17.417   2.0399  321.625   65.343  272.404   99.671  358.725   86.532   15.943   3.3281   18.890   2.3598 -2.947458 4.079802 
1 1 1    5   27   29 o   47.766   0.8971  2236.93   82.944  2336.49  123.009  2153.92  112.320   48.722   1.3006   46.811   1.2361 1.910797 1.794284 
1 1 1    5   27   30 o   12.010   2.8010  153.007   77.649   95.253  102.718  230.020  118.613   10.033   3.8152   13.987   4.1021 -3.953654 5.602015 
1 1 1    5   28    0 o  133.759   1.1217 17405.92  278.781 17496.17  347.656 17243.36  466.600  134.251   1.3340  133.268   1.8037 0.9828491 2.243398 
1 1 1    5   28    1 o  106.468   1.1441 10973.85  233.353 10818.70  305.170 11192.29  362.108  105.566   1.4892  107.369   1.7374 -1.803162 2.288269 
1 1 1    5   28    2 o  230.771   1.4189 51837.32  614.454 52217.61  776.845 51201.82  1004.23  231.916   1.7256  229.627   2.2529 2.289154 2.837831 
1 1 1    5   28    3 o  187.643   1.3154 34330.10  460.766 34722.36  578.947 33652.35  761.005  189.119   1.5770  186.165   2.1058 2.953903 2.630876 
1 1 1    5   28    4 o  141.094   1.1557 19401.15  303.560 19591.49  379.933 19065.14  504.794  142.060   1.3777  140.127   1.8558 1.932861 2.311300 
1 1 1    5   28    5 o  181.932   1.3215 32034.64  449.439 31754.48  562.911 32527.26  746.450  180.849   1.6035  183.015   2.1011 -2.166321 2.643059 
1 1 1    5   28    6 o   99.211   0.9638  9537.45  175.039  9501.06  214.223  9610.56  303.619   98.931   1.1155   99.491   1.5721 -0.5602646 1.927644 
1 1 1    5   28    7 o  282.599   1.5721 77614.02  835.047 77740.55  1056.72 77403.59  1362.64  282.933   1.9240  282.266   2.4869 0.6673584 3.144284 
1 1 1    5   28    8 o   69.236   0.7959  4615.00  100.643  4541.40  122.543  4767.52  176.406   68.398   0.9230   70.074   1.2968 -1.676575 1.591747 
1 1 1    5   28    9 o  146.030   1.2126 20721.46  328.516 20744.84  408.513 20678.66  552.691  146.162   1.4398  145.899   1.9515 0.2626038 2.425151 
1 1 1    5   28   10 o   85.149   0.8895  7032.51  139.534  7016.74  171.983  7062.89  238.687   85.015   1.0421   85.284   1.4418 -0.2690887 1.778978 
1 1 1    5   28   11 o   66.046   0.7908  4248.64   96.937  4281.91  120.804  4188.48  162.444   66.413   0.9371   65.678   1.2741 0.7348022 1.581615 
1 1 1    5   28   12 o   39.122   0.8117  1502.06   58.819  1541.45   73.493  1431.87   98.105   39.846   0.9502   38.398   1.3162 1.447773 1.623319 
1 1 1    5   28   13 o   39.653   0.7911  1542.51   59.028  1594.41   75.480  1460.79   94.711   40.523   0.9595   38.782   1.2581 1.740555 1.582227 
1 1 1    5   28   14 o   48.577   0.6528  2291.88   61.541  2259.88   87.758  2322.84   86.323   48.243   0.9371   48.911   0.9092 -0.6680298 1.305664 
1 1 1    5   28   15 o   69.063   0.6960  4631.40   93.300  4522.11  131.431  4742.42  132.466   68.241   0.9922   69.884   0.9765 -1.643105 1.392084 
1 1 1    5   28   16 o   78.982   0.7509  6056.64  115.098  6143.57  165.177  5974.60  160.470   79.532   1.0699   78.432   1.0540 1.100548 1.501858 
1 1 1    5   28   17 o   38.053   0.7716  1405.92   56.983  1434.07   81.703  1379.25   79.515   38.424   1.0954   37.683   1.0870 0.7413025 1.543225 
1 1 1    5   28   18 o   79.953   0.7819  6211.09  121.334  6096.87  172.112  6323.94  171.077   79.221   1.1192   80.685   1.0923 -1.463501 1.563866 
1 1 1    5   28   19 o   79.168   0.7911  6088.01  121.475  6124.84  175.773  6054.33  168.069   79.395   1.1405   78.940   1.0968 0.4551315 1.582300 
1 1 1    5   28   20 o  103.486   0.9362 10416.18  187.913 10278.52  270.350 10544.85  261.376  102.820   1.3545  104.152   1.2928 -1.331474 1.872443 
1 1 1    5   28   21 o   57.409   0.7675  3204.74   85.231  3182.72  125.671  3223.50  115.981   57.223   1.1314   57.595   1.0374 -0.3719254 1.534966 
1 1 1    5   28   22 o   54.634   0.7836  2906.86   82.877  2820.63  120.677  2983.84  114.019   53.862   1.1542   55.406   1.0601 -1.543865 1.567169 
1 1 1    5   28   23 o   15.273   2.0841  244.321   59.021  180.994   89.789  292.501   78.319   13.271   3.4525   17.276   2.3354 -4.004936 4.168218 
1 1 1    5   28   24 o   27.011   1.1545  713.518   59.896  705.833   91.305  719.322   79.358   26.871   1.7505   27.151   1.5057 -0.2807751 2.308944 
1 1 1    5   28   25 o   54.921   0.8039  2939.44   85.436  2937.90  125.840  2940.76  116.365   54.899   1.1808   54.943   1.0911 -0.4404831E-01 1.607734 
1 1 1    5   28   26 o   33.845   1.0245  1122.68   67.058  1108.22   98.864  1134.99   91.261   33.630   1.5144   34.061   1.3803 -0.4311752 2.049066 
1 1 1    5   28   27 o   18.176   1.8587  349.983   61.165  269.849   92.577  412.063   81.483   15.999   3.0928   20.353   2.0624 -4.354357 3.717422 
1 1 1    5   28   28 o   25.315   1.3853  656.569   66.019  524.136   98.933  762.883   88.642   22.851   2.2303   27.779   1.6438 -4.928007 2.770678 
1 1 1    5   28   29 o   10.396   2.4649  103.686   67.176  -0.5405  102.402  182.419   89.002   7.9756   3.4865   12.816   3.4854 -4.840763 4.929884 
1 1 1    5   28   30 o   11.631   3.0530  147.177   91.771  144.068  133.448  149.966  126.406   11.589   4.3622   11.673   4.2726 -0.8406353E-01 6.106068 
1 1 1    5   29    0 o  145.352   1.2547 20522.51  351.650 20605.08  471.332 20418.84  528.114  145.684   1.6667  145.019   1.8760 0.6649628 2.509428 
1 1 1    5   29    1 o  152.812   1.2115 22624.16  343.211 22513.59  425.773 22829.32  579.947  152.286   1.4403  153.337   1.9484 -1.051208 2.422944 
1 1 1    5   29    2 o   56.829   0.7295  3110.91   73.936  3074.86   88.282  3195.59  135.305   56.283   0.8080   57.375   1.2149 -1.091877 1.459032 
1 1 1    5   29    3 o   71.157   0.7903  4846.16  101.876  4728.12  122.865  5105.85  182.247   69.792   0.9069   72.523   1.2946 -2.730591 1.580615 
1 1 1    5   29    4 o  136.910   1.1536 18089.39  290.195 17863.63  355.780 18538.14  501.603  135.649   1.3511  138.171   1.8702 -2.522385 2.307173 
1 1 1    5   29    5 o  138.771   1.1500 18729.90  296.725 18810.76  370.273 18584.79  496.051  139.197   1.3703  138.344   1.8471 0.8530426 2.299949 
1 1 1    5   29    6 o  101.974   0.9762 10047.07  182.901  9946.69  224.359 10245.96  315.806  101.223   1.1418  102.725   1.5837 -1.502029 1.952424 
1 1 1    5   29    7 o   23.382   1.0590  543.345   46.004  579.054   58.367  484.777   74.750   24.422   1.2312   22.343   1.7235 2.079344 2.118077 
1 1 1    5   29    8 o  153.322   1.2294 22788.02  349.086 22686.76  432.581 22977.07  591.098  152.850   1.4579  153.794   1.9800 -0.9438019 2.458824 
1 1 1    5   29    9 o  106.299   1.0246 10994.69  203.482 11054.23  255.572 10891.59  336.304  106.701   1.2339  105.898   1.6360 0.8024979 2.049133 
1 1 1    5   29   10 o  109.402   1.0410 11622.51  209.669 11621.69  258.385 11624.07  358.773  109.406   1.2166  109.399   1.6894 0.6935120E-02 2.081925 
1 1 1    5   29   11 o   52.511   0.7547  2631.19   73.322  2531.50   90.069  2827.05  126.249   51.064   0.9086   53.958   1.2053 -2.893623 1.509455 
1 1 1    5   29   12 o  106.447   1.0459 11008.88  204.532 11012.99  251.501 11000.85  351.478  106.491   1.2166  106.403   1.7017 0.8774567E-01 2.091883 
1 1 1    5   29   13 o  108.207   1.0030 11378.27  203.586 11390.31  256.846 11357.93  333.917  108.296   1.2218  108.118   1.5910 0.1780777 2.006022 
1 1 1    5   29   14 o  168.851   1.2556 27800.73  404.773 28206.03  528.815 27227.29  629.002  170.366   1.5990  167.335   1.9364 3.030563 2.511296 
1 1 1    5   29   15 o  162.860   1.3790 25795.71  423.268 25793.93  537.686 25798.60  686.351  162.893   1.7004  162.828   2.1715 0.6526184E-01 2.758034 
1 1 1    5   29   16 o   34.254   0.9333  1115.14   59.467  1057.69   73.336  1225.45  101.617   32.998   1.1449   35.509   1.4742 -2.511364 1.866566 
1 1 1    5   29   17 o  124.638   1.0447 15100.30  252.554 15082.71  364.612 15116.53  350.156  124.564   1.5079  124.712   1.4464 -0.1471100 2.089462 
1 1 1    5   29   18 o   56.128   0.7010  3053.31   76.137  3140.86  112.848  2980.17  103.151   56.864   1.0223   55.393   0.9593 1.471157 1.401939 
1 1 1    5   29   19 o   39.617   0.8132  1524.45   62.507  1546.90   90.151  1503.67   86.745   39.897   1.1640   39.337   1.1360 0.5602493 1.626481 
1 1 1    5   29   20 o   65.107   0.7659  4123.95   96.680  3974.74  138.395  4266.18  135.115   63.953   1.1148   66.261   1.0505 -2.307819 1.531748 
1 1 1    5   29   21 o   24.056   1.3134  558.703   60.610  596.449   94.388  532.217   79.065   24.735   1.9658   23.376   1.7424 1.358843 2.626812 
1 1 1    5   29   22 o   71.017   0.7958  4901.08  109.445  4940.30  160.771  4867.21  149.410   71.278   1.1620   70.756   1.0878 0.5210648 1.591677 
1 1 1    5   29   23 o   42.384   0.8496  1750.60   68.941  1736.55  106.491  1760.73   90.456   42.228   1.2991   42.541   1.0954 -0.3136024 1.699274 
1 1 1    5   29   24 o   59.644   0.7884  3461.41   91.056  3497.18  133.842  3430.60  124.238   59.925   1.1506   59.364   1.0781 0.5609207 1.576766 
1 1 1    5   29   25 o   51.800   0.8171  2613.47   81.986  2650.86  120.289  2581.03  112.042   52.140   1.1885   51.461   1.1216 0.6782951 1.634155 
1 1 1    5   29   26 o   24.055   1.3691  579.777   62.768  516.559   94.958  628.832   83.648   22.826   2.1430   25.283   1.7044 -2.456455 2.738165 
1 1 1    5   29   27 o   7.2100   2.2359  -9.3058   58.849 -14.8930   93.843  -5.6845   75.551   7.5044   3.3074   6.9155   3.0096 0.5889597 4.471759 
1 1 1    5   29   28 f   31.928   1.1061  1011.22   68.251  949.489   99.230  1066.65   94.024   30.967   1.6507   32.888   1.4727 -1.921194 2.212216 
1 1 1    5   29   29 o   40.601   0.9594  1632.30   74.927  1583.05  112.824  1671.15  100.218   40.002   1.4530   41.200   1.2531 -1.198036 1.918702 
1 1 1    5   29   30 o   10.113   2.9742   63.486   96.343  133.561  149.623   13.854  125.921   11.446   4.5332   8.7803   3.8516 2.665765 5.948464 
1 1 1    5   30    0 o   68.932   0.8866  4609.08  118.583  4763.37  170.514  4464.57  165.023   70.049   1.2540   67.816   1.2536 2.232628 1.773117 
1 1 1    5   30    1 o  134.150   1.1174 17546.44  278.639 17733.87  348.170 17212.55  464.704  135.156   1.3271  133.143   1.7980 2.013504 2.234711 
1 1 1    5   30    2 o  199.446   1.3701 38545.94  509.152 38339.38  635.478 38916.27  850.880  198.714   1.6474  200.177   2.1897 -1.462677 2.740237 
1 1 1    5   30    3 o  212.195   1.4069 43631.35  557.104 43386.82  696.659 44065.11  927.845  211.387   1.6978  213.003   2.2440 -1.615524 2.813893 
1 1 1    5   30    4 o  140.239   1.1548 19057.48  301.238 18962.83  375.212 19229.12  505.278  139.758   1.3830  140.721   1.8497 -0.9629364 2.309609 
1 1 1    5   30    5 o   91.908   0.9423  8218.09  158.733  8253.17  194.898  8148.96  273.562   92.205   1.0889   91.612   1.5383 0.5924683 1.884687 
1 1 1    5   30    6 o  231.440   1.4761 52061.81  639.300 52146.97  803.952 51915.34  1054.34  231.722   1.7873  231.157   2.3497 0.5651550 2.952184 
1 1 1    5   30    7 o  216.302   1.4378 45423.14  581.996 45343.11  731.280 45561.41  961.214  216.068   1.7435  216.535   2.2868 -0.4668884 2.875631 
1 1 1    5   30    8 o   69.550   0.8028  4676.81  102.854  4635.12  126.549  4757.96  176.544   69.098   0.9435   70.001   1.2992 -0.9030151 1.605647 
1 1 1    5   30    9 o   87.842   0.8962  7397.34  144.602  7207.47  176.690  7782.44  251.635   86.162   1.0564   89.523   1.4480 -3.360405 1.792411 
1 1 1    5   30   10 o   45.177   0.7794  1981.31   65.702  1980.65   82.260  1982.47  109.192   45.168   0.9382   45.185   1.2449 -0.1653290E-01 1.558838 
1 1 1    5   30   11 o   93.894   0.9461  8575.19  164.785  8606.65  205.005  8517.74  277.000   94.146   1.1218   93.641   1.5239 0.5051346 1.892224 
1 1 1    5   30   12 o  195.536   1.4059 37129.96  513.095 37021.39  642.278 37321.48  853.015  195.185   1.6952  195.886   2.2433 -0.7010193 2.811752 
1 1 1    5   30   13 o   57.840   0.7875  3285.28   85.612  3403.75  109.354  3097.71  137.603   59.207   0.9515   56.474   1.2552 2.733006 1.575074 
1 1 1    5   30   14 o  148.380   1.2085 21434.16  339.230 21554.49  434.246 21245.74  543.386  148.940   1.5020  147.821   1.8937 1.118790 2.417011 
1 1 1    5   30   15 o   94.762   0.9618  8694.07  170.036  8613.30  212.373  8838.31  283.804   94.165   1.1618   95.359   1.5332 -1.193428 1.923663 
1 1 1    5   30   16 o   97.542   0.9911  9240.08  179.931  9225.19  224.495  9266.81  300.885   97.449   1.1868   97.634   1.5876 -0.1853867 1.982115 
1 1 1    5   30   17 o  104.467   1.0778 10630.64  211.772 10695.64  268.598 10523.84  344.277  104.911   1.3189  104.023   1.7050 0.8884811 2.155559 
1 1 1    5   30   18 o   75.843   0.9127  5557.29  128.529  5478.95  159.391  5702.94  217.327   75.097   1.0934   76.588   1.4618 -1.491051 1.825466 
1 1 1    5   30   19 o   61.434   0.8703  3649.47  100.459  3594.72  126.557  3742.72  165.176   60.825   1.0719   62.044   1.3715 -1.218384 1.740629 
1 1 1    5   30   20 o   95.066   1.0873  8841.31  193.543  8974.98  244.467  8616.83  316.806   96.068   1.3109   94.063   1.7350 2.004707 2.174594 
1 1 1    5   30   21 o   41.425   0.8553  1675.84   68.242  1603.50  101.816  1734.85   91.953   40.605   1.2917   42.246   1.1213 -1.640961 1.710521 
1 1 1    5   30   22 o   72.248   0.9647  5105.90  130.734  5180.55  165.525  4982.10  213.149   72.981   1.1684   71.515   1.5354 1.466339 1.929399 
1 1 1    5   30   23 o   55.777   0.7761  3033.00   83.799  2941.24  122.072  3114.78  115.243   54.972   1.1440   56.583   1.0492 -1.611099 1.552252 
1 1 1    5   30   24 o   63.274   0.9534  3919.29  113.401  3961.61  143.920  3850.01  184.169   63.767   1.1627   62.780   1.5112 0.9864235 1.906723 
1 1 1    5   30   25 o   44.201   0.8502  1913.29   72.223  1850.98  109.146  1961.83   96.327   43.541   1.2914   44.861   1.1061 -1.320015 1.700337 
1 1 1    5   30   26 o   22.797   1.3985  508.163   60.516  544.058   97.621  485.760   77.124   23.403   2.1488   22.192   1.7903 1.211525 2.796922 
1 1 1    5   30   27 f   13.113   2.5488  191.812   70.778  254.984   93.584  107.386  108.187   15.467   3.2216   10.758   3.9505 4.708420 5.097544 
1 1 1    5   30   28 o   9.3079   2.6645   53.336   73.322   36.721   94.036   79.103  117.103   8.5104   3.5121   10.105   4.0078 -1.595061 5.328913 
1 1 1    5   30   29 o   8.6658   2.5506   39.270   70.961   48.000   95.872   28.692  105.530   8.7359   3.5687   8.5957   3.6449 0.1402302 5.101128 
1 1 1    5   30   30 o   11.846   3.1027  157.968   94.247  187.464  142.509  135.039  125.648   12.520   4.5436   11.172   4.2264 1.347855 6.205412 
1 1 1    5   31    0 o  322.661   1.8039 101136.50  1129.57 101158.30  1580.70 101113.80  1614.76  322.700   2.5234  322.623   2.5784 0.7705688E-01 3.607707 
1 1 1    5   31    1 o  227.873   1.4313 50215.29  609.519 49656.32  762.669 51203.46  1014.05  226.142   1.7374  229.604   2.2752 -3.462265 2.862658 
1 1 1    5   31    2 o  171.916   1.2786 28676.59  411.086 28615.26  516.016 28783.12  680.114  171.675   1.5484  172.157   2.0351 -0.4816895 2.557218 
1 1 1    5   31    3 o  263.471   1.5413 67372.10  759.427 67231.87  953.300 67615.66  1256.36  263.122   1.8664  263.821   2.4532 -0.6997681 3.082505 
1 1 1    5   31    4 o   71.935   0.7913  5020.73  104.923  5014.75  129.432  5032.21  179.186   71.875   0.9277   71.995   1.2821 -0.1202545 1.582563 
1 1 1    5   31    5 o   97.973   0.9527  9385.77  172.417  9540.00  214.167  9101.71  290.657   99.130   1.1130   96.815   1.5466 2.314713 1.905414 
1 1 1    5   31    6 o   93.706   0.9245  8512.33  159.905  8482.45  197.455  8569.27  272.568   93.473   1.0882   93.939   1.4947 -0.4661026 1.848908 
1 1 1    5   31    7 o  177.927   1.3606 30783.70  449.569 30856.20  559.893 30652.13  754.261  178.245   1.6182  177.609   2.1877 0.6364136 2.721136 
1 1 1    5   31    8 o   17.365   1.6726  317.426   50.633  369.324   64.343  233.020   82.057   19.500   1.6998   15.230   2.8811 4.270184 3.345159 
1 1 1    5   31    9 o  104.878   1.0240 10610.01  198.183 10454.67  243.989 10911.24  339.767  103.766   1.2113  105.990   1.6514 -2.224136 2.048011 
1 1 1    5   31   10 o  166.529   1.3021 26781.62  402.700 26390.76  499.477 27507.59  680.715  164.829   1.5610  168.228   2.0845 -3.398987 2.604223 
1 1 1    5   31   11 o  102.955   1.0277 10252.22  195.333 10154.39  240.883 10440.08  333.800  102.254   1.2136  103.656   1.6589 -1.401810 2.055419 
1 1 1    5   31   12 o  131.808   1.1875 16814.37  287.665 16671.52  353.133 17096.14  495.966  131.005   1.3886  132.612   1.9267 -1.606491 2.374931 
1 1 1    5   31   13 o   38.088   0.8277  1432.08   59.085  1506.58   75.526  1314.56   94.856   39.389   0.9878   36.786   1.3284 2.602772 1.655361 
1 1 1    5   31   14 o   66.706   0.8274  4339.31  102.600  4382.91  128.182  4261.56  171.160   67.182   0.9829   66.231   1.3313 0.9509964 1.654837 
1 1 1    5   31   15 o   53.787   0.7950  2836.92   80.273  2921.09  102.174  2701.19  129.750   54.844   0.9597   52.729   1.2676 2.115761 1.589954 
1 1 1    5   31   16 o   25.595   1.1494  622.364   56.360  549.354   72.871  731.060   88.913   23.771   1.5792   27.420   1.6705 -3.648294 2.298770 
1 1 1    5   31   17 o  120.292   1.2550 14125.16  283.557 14270.38  359.290 13885.33  461.730  121.151   1.5278  119.434   1.9916 1.717339 2.510058 
1 1 1    5   31   18 o   57.641   0.8759  3260.61   94.149  3347.53  118.635  3112.75  154.738   58.700   1.0411   56.582   1.4088 2.118244 1.751783 
1 1 1    5   31   19 o   79.955   0.9463  6225.77  141.127  6253.17  176.822  6177.68  234.240   80.217   1.1355   79.694   1.5142 0.5234222 1.892654 
1 1 1    5   31   20 o   54.423   0.9038  2863.80   93.297  2806.14  119.245  2954.82  149.809   53.730   1.1433   55.116   1.4002 -1.385040 1.807689 
1 1 1    5   31   21 o   40.104   1.0495  1571.32   79.654  1592.56  102.250  1538.55  127.036   40.463   1.3018   39.744   1.6466 0.7181854 2.099039 
1 1 1    5   31   22 o   31.915   1.2312  969.362   74.979  868.781   95.898  1127.55  120.264   29.846   1.6552   33.984   1.8230 -4.138119 2.462363 
1 1 1    5   31   23 o   18.349   2.1510  357.825   70.922  434.212   93.657  255.138  108.590   21.024   2.2949   15.675   3.6387 5.348416 4.301981 
1 1 1    5   31   24 o   61.479   0.9334  3677.90  108.195  3646.10  137.260  3730.07  175.824   61.167   1.1560   61.791   1.4659 -0.6241760 1.866845 
1 1 1    5   31   25 o   24.445   1.4933  586.049   70.023  564.529   91.519  616.435  108.750   23.935   1.9698   24.955   2.2450 -1.019953 2.986646 
1 1 1    5   31   26 o   35.767   1.1083  1262.89   76.285  1294.94  102.209  1222.57  114.620   36.316   1.4499   35.218   1.6766 1.097649 2.216564 
1 1 1    5   31   27 f   25.677   1.4499  659.429   71.780  677.175   96.901  637.850  106.852   26.106   1.9122   25.249   2.1801 0.8570061 2.899874 
1 1 1    5   31   28 o   34.635   1.2230  1196.98   80.886  1214.20  105.822  1172.79  125.447   35.016   1.5568   34.255   1.8866 0.7613716 2.446012 
1 1 1    5   31   29 o   10.363   2.7173  100.459   73.705   60.149   98.908  150.797  110.528   9.0715   3.6542   11.655   4.0226 -2.583639 5.434626 
1 1 1    5   32    0 o  120.771   1.2451 14163.55  291.875 14178.43  409.932 14148.25  415.675  120.835   1.7476  120.706   1.7740 0.1295166 2.490266 
1 1 1    5   32    1 o  196.651   1.3918 37665.95  508.376 37935.23  634.050 37181.23  850.694  197.656   1.6525  195.646   2.2399 2.009735 2.783559 
1 1 1    5   32    2 o   28.551   3.6081  1143.02   59.132  1162.09   59.984  486.092  352.068   34.600   0.8931   22.502   7.1607 12.09734 7.216218 
1 1 1    5   32    3 f  148.964   1.2415 21544.13  349.105 21524.69  444.521 21575.42  563.938  148.887   1.5381  149.042   1.9492 -0.1555634 2.482940 
1 1 1    5   32    4 o  222.581   1.5016 48148.84  640.617 48247.70  842.289 48013.16  986.690  222.869   1.9469  222.293   2.2866 0.5756836 3.003165 
1 1 1    5   32    5 o  105.174   0.9945 10731.88  192.411 10712.47  236.816 10769.59  330.049  105.041   1.1614  105.306   1.6146 -0.2644424 1.988909 
1 1 1    5   32    6 o  119.844   1.0744 13865.04  237.453 13686.70  292.237 14211.55  407.355  118.727   1.2680  120.961   1.7348 -2.234734 2.148847 
1 1 1    5   32    7 o  174.939   1.3294 29792.73  434.664 29969.29  546.279 29488.06  717.606  175.667   1.6020  174.211   2.1220 1.455826 2.658809 
1 1 1    5   32    8 o  170.171   1.3184 28196.54  418.491 28369.38  524.610 27894.08  693.978  170.911   1.5813  169.431   2.1100 1.479919 2.636779 
1 1 1    5   32    9 o  161.546   1.2879 25362.96  387.590 25381.32  484.403 25330.27  646.184  161.651   1.5437  161.441   2.0619 0.2095947 2.575773 
1 1 1    5   32   10 o   70.659   0.8271  4843.57  108.600  4831.87  135.182  4864.87  182.372   70.544   0.9872   70.773   1.3275 -0.2297668 1.654288 
1 1 1    5   32   11 f  110.270   1.0635 11791.67  217.010 11742.32  268.688 11884.26  368.039  109.954   1.2588  110.585   1.7145 -0.6307068 2.126995 
1 1 1    5   32   12 o   72.755   0.8427  5111.02  112.720  5048.72  138.288  5234.35  194.580   72.106   0.9880   73.404   1.3656 -1.298210 1.685479 
1 1 1    5   32   13 o   68.634   0.8313  4559.07  105.092  4524.57  129.337  4626.12  180.290   68.260   0.9761   69.007   1.3459 -0.7471466 1.662583 
1 1 1    5   32   14 o   42.660   0.8289  1756.90   65.915  1729.39   82.116  1806.73  110.525   42.199   1.0025   43.122   1.3204 -0.9237137 1.657795 
1 1 1    5   32   15 o  156.075   1.2450 23675.53  368.079 23627.01  471.342 23751.36  589.271  155.903   1.5575  156.247   1.9428 -0.3435516 2.490043 
1 1 1    5   32   16 f  184.410   1.4107 33005.22  501.500 32339.77  667.899 33865.31  759.320  182.312   1.8873  186.509   2.0973 -4.196533 2.821419 
1 1 1    5   32   17 o  102.486   1.0761 10227.27  206.943 10269.80  261.415 10155.86  338.691  102.795   1.3101  102.176   1.7076 0.6195068 2.152259 
1 1 1    5   32   18 f   48.026   0.8467  2261.33   77.349  2348.77  100.957  2137.04  120.360   49.167   1.0578   46.885   1.3225 2.282166 1.693466 
1 1 1    5   32   19 o   62.804   0.8895  3807.93  103.781  3743.59  128.714  3927.46  175.449   62.067   1.0683   63.542   1.4224 -1.475502 1.778928 
1 1 1    5   32   20 o   43.352   0.9623  1818.18   79.261  1781.43  101.630  1875.24  126.633   42.805   1.2231   43.899   1.4860 -1.094479 1.924650 
1 1 1    5   32   21 o   29.343   1.2664  845.495   71.400  889.679   95.969  790.719  106.854   30.219   1.6360   28.468   1.9336 1.751419 2.532877 
1 1 1    5   32   22 o   52.154   0.9356  2656.52   92.573  2684.34  119.268  2614.34  146.822   52.518   1.1699   51.789   1.4605 0.7287216 1.871252 
1 1 1    5   32   23 f   54.677   0.9181  2877.66   94.610  2768.88  119.174  3063.07  155.588   53.322   1.1514   56.032   1.4304 -2.710228 1.836252 
1 1 1    5   32   24 o   46.606   0.9782  2123.81   87.156  2135.94  113.971  2106.73  135.260   46.792   1.2548   46.420   1.5011 0.3719559 1.956436 
1 1 1    5   32   25 o   12.877   2.5877  176.051   67.943  191.143   92.976  158.755   99.531   13.420   3.5239   12.334   3.7904 1.086617 5.175448 
1 1 1    5   32   26 o   36.159   1.0568  1285.20   73.890  1274.84  100.006  1297.66  109.651   36.019   1.4303   36.299   1.5562 -0.2801285 2.113628 
1 1 1    5   32   27 o   31.958   1.2697  1024.11   77.125  1071.55  100.873  957.351  119.659   32.939   1.5776   30.977   1.9900 1.962116 2.539441 
1 1 1    5   32   28 o   14.588   2.5926  246.488   74.676  295.667   98.740  180.767  114.144   16.505   3.1973   12.672   4.0820 3.833089 5.185175 
1 1 1    5   32   29 o   22.119   2.1918  523.596   93.165  532.817  142.281  516.676  123.265   22.142   3.3103   22.097   2.8737 0.4495430E-01 4.383630 
1 1 1    5   33    0 o  170.545   1.4669 28253.24  485.544 28253.11  680.604 28253.38  692.885  170.545   2.0558  170.544   2.0930 0.1663208E-02 2.933761 
1 1 1    5   33    1 o  100.435   1.1165  9791.37  217.498  9700.40  301.099  9890.62  314.516   99.948   1.5519  100.921   1.6054 -0.9735413 2.232918 
1 1 1    5   33    2 o  161.188   1.2936 25295.19  386.840 25440.67  481.589 25030.63  649.460  161.860   1.5328  160.516   2.0843 1.343597 2.587241 
1 1 1    5   33    3 o  161.879   1.2863 25295.44  386.069 24929.98  477.911 25981.90  654.995  160.224   1.5366  163.535   2.0633 -3.310471 2.572603 
1 1 1    5   33    4 o   58.522   0.7454  3349.83   80.447  3406.60   99.765  3244.27  136.026   59.239   0.8676   57.805   1.2122 1.433498 1.490714 
1 1 1    5   33    5 o  111.296   1.0346 12083.22  212.881 12210.58  264.288 11847.92  359.228  112.143   1.2141  110.448   1.6755 1.695526 2.069123 
1 1 1    5   33    6 o  193.515   1.4176 36404.89  509.624 36463.49  634.831 36298.70  854.660  193.761   1.6878  193.269   2.2781 0.4915924 2.835194 
1 1 1    5   33    7 o   23.458   1.1494  551.059   50.048  601.661   63.977  471.252   80.345   24.892   1.3240   22.025   1.8792 2.867205 2.298808 
1 1 1    5   33    8 o   25.766   1.0307  645.787   49.902  648.839   63.173  640.723   81.380   25.849   1.2590   25.683   1.6323 0.1663742 2.061454 
1 1 1    5   33    9 o   67.620   0.7944  4404.50   99.478  4324.09  122.865  4557.53  169.492   66.736   0.9484   68.504   1.2746 -1.768448 1.588739 
1 1 1    5   33   10 o   47.619   0.7800  2187.51   69.079  2152.36   85.796  2252.29  116.476   47.082   0.9387   48.156   1.2460 -1.073799 1.560043 
1 1 1    5   33   11 o   64.438   0.8104  3995.55   96.352  3916.35  118.462  4150.36  165.621   63.509   0.9609   65.367   1.3052 -1.858315 1.620804 
1 1 1    5   33   12 o   59.122   0.7954  3362.86   86.619  3296.11  106.290  3494.84  149.456   58.263   0.9398   59.982   1.2836 -1.719391 1.590860 
1 1 1    5   33   13 o   9.3436   2.1398   79.473   49.622  127.779   62.516  -2.7877   81.580   11.234   2.8595   7.4535   3.1839 3.780250 4.279502 
1 1 1    5   33   14 o   82.605   0.9027  6620.00  139.055  6595.25  173.821  6664.00  231.752   82.403   1.0867   82.808   1.4417 -0.4055634 1.805394 
1 1 1    5   33   15 f   74.393   0.8767  5390.83  121.292  5426.01  151.488  5328.01  202.457   74.742   1.0441   74.043   1.4086 0.6997452 1.753364 
1 1 1    5   33   16 o  107.037   1.1190 11209.81  224.718 11419.87  284.930 10864.15  365.510  108.398   1.3541  105.676   1.7818 2.722122 2.237944 
1 1 1    5   33   17 o   37.777   0.9250  1393.50   65.834  1414.15   83.904  1360.43  106.192   38.150   1.1330   37.405   1.4625 0.7451859 1.850026 
1 1 1    5   33   18 o   25.603   1.3362  670.974   62.002  749.425   77.968  536.029  102.258   27.760   1.4469   23.446   2.2468 4.314640 2.672370 
1 1 1    5   33   19 o   56.351   0.8836  3102.35   93.294  3145.66  117.914  3029.86  152.554   56.893   1.0677   55.810   1.4081 1.083420 1.767150 
1 1 1    5   33   20 o   49.340   0.9406  2379.15   87.633  2417.18  112.143  2319.52  140.443   49.862   1.1586   48.819   1.4820 1.043678 1.881146 
1 1 1    5   33   21 o   25.164   1.4823  642.260   69.540  797.452   94.940  462.619  102.145   28.597   1.7103   21.730   2.4215 6.866697 2.964573 
1 1 1    5   33   22 o   14.034   2.5014  205.032   68.141  221.068   92.104  185.643  101.279   14.640   3.3177   13.428   3.7445 1.211717 5.002834 
1 1 1    5   33   23 o   23.852   1.4956  557.069   68.872  480.857   94.548  643.224  100.527   22.108   2.2031   25.597   2.0232 -3.488506 2.991161 
1 1 1    5   33   24 o   28.580   1.2391  800.126   68.527  786.740   92.938  816.073  101.441   28.329   1.6901   28.831   1.8126 -0.5017376 2.478251 
1 1 1    5   33   25 o   20.300   1.6677  410.800   65.646  385.077   91.681  437.864   94.038   19.638   2.4051   20.963   2.3109 -1.325300 3.335385 
1 1 1    5   33   26 o   22.503   1.6131  503.253   70.099  467.908   93.499  548.619  105.929   21.625   2.2274   23.381   2.3339 -1.756557 3.226189 
1 1 1    5   33   27 o   13.408   2.7247  200.551   74.499  206.043   99.600  193.577  112.243   13.637   3.6781   13.179   4.0208 0.4575548 5.449352 
1 1 1    5   33   28 o   35.684   1.2280  1274.32   83.877  1294.56  110.419  1246.70  128.970   36.107   1.5754   35.262   1.8841 0.8445549 2.455989 
1 1 1    5   33   29 o   18.593   2.6807  395.454   92.195  433.940  145.030  369.353  119.434   19.170   4.0256   18.017   3.5412 1.152388 5.361427 
1 1 1    5   34    0 o   92.480   1.0610  8297.53  190.374  8037.35  264.378  8577.72  274.359   90.976   1.4970   93.984   1.5038 -3.008308 2.121938 
1 1 1    5   34    1 o  145.047   1.3494 20430.09  379.622 20267.10  525.300 20608.28  549.232  144.444   1.8735  145.650   1.9426 -1.206238 2.698783 
1 1 1    5   34    2 f  250.728   1.5406 60789.44  721.634 60015.51  902.310 62163.05  1202.09  248.561   1.8701  252.895   2.4487 -4.333069 3.081102 
1 1 1    5   34    3 o   48.090   0.7794  2218.90   68.079  2172.27   82.367  2319.44  120.947   47.304   0.8970   48.875   1.2748 -1.571285 1.558745 
1 1 1    5   34    4 o   89.288   0.9154  7751.99  150.093  7775.28  184.614  7706.59  257.784   89.492   1.0627   89.084   1.4907 0.4077148 1.830725 
1 1 1    5   34    5 o  183.838   1.4254 32879.76  496.750 33047.47  638.132 32621.84  791.365  184.454   1.7822  183.223   2.2250 1.230408 2.850775 
1 1 1    5   34    6 o  117.177   1.0750 13359.62  232.966 13417.26  288.858 13252.35  394.040  117.550   1.2659  116.804   1.7379 0.7462692 2.150040 
1 1 1    5   34    7 o   38.057   0.8285  1449.28   57.537  1545.63   71.601  1273.64   96.669   39.901   0.9244   36.214   1.3751 3.686150 1.656964 
1 1 1    5   34    8 o   60.934   0.7868  3631.83   89.202  3700.99  111.841  3510.92  147.877   61.741   0.9332   60.126   1.2670 1.614357 1.573551 
1 1 1    5   34    9 o   67.885   0.8124  4532.02  102.363  4678.99  128.433  4276.08  169.485   69.419   0.9531   66.351   1.3159 3.067444 1.624789 
1 1 1    5   34   10 o  104.360   1.0427 10500.92  198.989 10346.67  242.655 10817.63  347.704  103.215   1.2111  105.505   1.6977 -2.290138 2.085450 
1 1 1    5   34   11 o  113.323   1.0863 12443.21  227.445 12363.80  280.948 12594.21  387.446  112.819   1.2829  113.826   1.7535 -1.006660 2.172662 
1 1 1    5   34   12 o   86.239   0.9386  7236.05  150.307  7263.37  187.237  7186.55  252.066   86.479   1.1154   85.998   1.5099 0.4814606 1.877223 
1 1 1    5   34   13 o   32.872   0.9315  1056.17   57.091  1073.02   71.711  1026.99   94.347   33.237   1.1115   32.507   1.4952 0.7305527 1.863032 
1 1 1    5   34   14 f   40.915   0.8129  1629.27   62.930  1640.29   80.600  1612.05  100.718   41.096   1.0103   40.733   1.2738 0.3631363 1.625818 
1 1 1    5   34   15 o   60.183   0.8352  3526.84   93.386  3546.71  116.459  3491.06  156.298   60.429   0.9928   59.936   1.3434 0.4930458 1.670427 
1 1 1    5   34   16 o   78.844   0.9102  6024.90  134.333  5979.98  168.612  6102.96  222.265   78.456   1.1071   79.232   1.4451 -0.7761383 1.820470 
1 1 1    5   34   17 o   96.506   1.0442  8975.66  186.782  8787.87  230.814  9331.95  317.933   95.084   1.2505   97.927   1.6725 -2.842964 2.088319 
1 1 1    5   34   18 o   60.817   0.8763  3615.91   98.901  3666.16  123.441  3525.82  165.279   61.425   1.0353   60.209   1.4141 1.216267 1.752584 
1 1 1    5   34   19 o   66.918   0.8970  4365.07  113.028  4399.60  143.686  4309.01  183.066   67.281   1.1002   66.555   1.4170 0.7262115 1.793930 
1 1 1    5   34   20 o   73.936   0.9613  5366.43  132.532  5496.73  166.894  5143.99  218.062   75.189   1.1435   72.684   1.5455 2.505051 1.922539 
1 1 1    5   34   21 f   11.562   2.3628   87.759   67.598 -31.6537   87.468  264.846  106.517   7.0871   3.1546   16.037   3.5183 -8.949785 4.725502 
1 1 1    5   34   22 o   82.788   1.0165  6673.46  157.199  6643.63  196.950  6725.83  260.937   82.588   1.2285   82.989   1.6198 -0.4010010 2.032938 
1 1 1    5   34   23 o   60.810   0.9033  3580.64  104.169  3487.33  132.944  3729.04  167.656   59.822   1.1448   61.799   1.3976 -1.977844 1.806605 
1 1 1    5   34   24 o   28.265   1.2354  790.202   67.297  866.831   93.167  706.601   97.314   29.733   1.6142   26.798   1.8707 2.934868 2.470894 
1 1 1    5   34   25 o   8.8068   2.5105   38.493   66.821   7.3039   90.755   75.418   98.749   7.8593   3.3578   9.7542   3.7331 -1.894964 5.021040 
1 1 1    5   34   26 o   21.593   1.7610  475.238   72.474  500.917   95.669  440.655  111.024   22.374   2.2028   20.812   2.7482 1.562201 3.522025 
1 1 1    5   34   27 o   8.6921   2.5586   34.882   71.978   58.715   94.060   1.2059  111.812   9.0287   3.5884   8.3555   3.6482 0.6731787 5.117189 
1 1 1    5   34   28 o   7.8316   2.4554 -12.5465   73.812 -30.3428   98.792   9.9412  111.052   7.2732   3.2854   8.3901   3.6501 -1.116968 4.910873 
1 1 1    5   34   29 f   18.004   2.7364  394.694   93.855  287.454  144.328  473.273  123.545   15.077   4.5505   20.931   3.0407 -5.854350 5.472876 
1 1 1    5   35    0 o  134.628   1.1665 17535.54  294.228 17348.43  369.485 17859.84  486.424  133.662   1.4240  135.595   1.8480 -1.933258 2.333041 
1 1 1    5   35    1 o   56.528   0.8645  3096.77   94.768  3264.45  137.418  2944.70  130.867   57.984   1.2209   55.071   1.2242 2.912987 1.728901 
1 1 1    5   35    2 o  147.978   1.2202 21367.23  336.173 21623.88  421.054 20915.97  558.320  149.225   1.4536  146.732   1.9602 2.492844 2.440303 
1 1 1    5   35    3 o   73.117   0.8347  5175.85  111.494  5147.17  136.122  5234.30  194.348   72.815   0.9630   73.420   1.3636 -0.6055603 1.669415 
1 1 1    5   35    4 o   24.910   1.1069  636.198   48.765  695.608   59.635  516.293   84.720   26.767   1.1477   23.054   1.8931 3.713106 2.213891 
1 1 1    5   35    5 o  179.587   1.3835 31478.66  460.871 31828.28  574.456 30847.18  772.033  181.021   1.6348  178.153   2.2324 2.868332 2.766999 
1 1 1    5   35    6 o   74.342   0.8329  5410.09  114.291  5511.11  141.939  5223.82  192.738   75.342   0.9705   73.342   1.3538 2.000465 1.665729 
1 1 1    5   35    7 o  175.729   1.3706 29918.29  446.671 29692.38  554.018 30337.87  755.036  174.820   1.6326  176.639   2.2020 -1.818771 2.741172 
1 1 1    5   35    8 o  117.286   1.1015 13344.38  238.034 13300.05  293.343 13429.85  407.302  117.020   1.2914  117.553   1.7849 -0.5327682 2.203087 
1 1 1    5   35    9 o   99.749   0.9965  9612.49  182.816  9501.88  224.418  9830.69  315.204   98.914   1.1688  100.584   1.6144 -1.669807 1.993033 
1 1 1    5   35   10 o   88.815   0.9342  7572.54  151.603  7402.63  184.390  7927.01  266.336   87.308   1.0880   90.322   1.5190 -3.014931 1.868469 
1 1 1    5   35   11 o   60.274   0.8053  3521.46   89.421  3506.62  110.162  3550.12  153.106   60.094   0.9444   60.453   1.3047 -0.3594170 1.610594 
1 1 1    5   35   12 o   76.384   0.8818  5683.68  123.878  5717.17  152.730  5619.29  211.790   76.725   1.0255   76.043   1.4348 0.6824036 1.763561 
1 1 1    5   35   13 o   96.961   1.0520  9035.96  184.759  8861.04  223.063  9418.18  329.742   95.506   1.2032   98.416   1.7260 -2.910095 2.103986 
1 1 1    5   35   14 o   10.216   2.1259  102.584   53.558  170.799   66.663 -21.6183   89.952   12.992   2.7300   7.4399   3.2596 5.552010 4.251869 
1 1 1    5   35   15 o   90.052   0.9865  7904.32  166.249  7966.83  209.419  7797.79  273.390   90.552   1.1914   89.551   1.5727 1.000626 1.973015 
1 1 1    5   35   16 o   72.623   0.9092  5075.00  121.714  4966.88  149.438  5288.06  209.780   71.501   1.0767   73.745   1.4654 -2.244530 1.818441 
1 1 1    5   35   17 o   69.694   0.9084  4666.95  116.742  4551.67  143.280  4894.64  201.356   68.444   1.0784   70.944   1.4621 -2.499985 1.816810 
1 1 1    5   35   18 o   14.541   2.2231  217.686   59.588  227.305   75.874  202.205   96.257   15.018   2.7021   14.064   3.5310 0.9539499 4.446286 
1 1 1    5   35   19 o   93.910   1.0888  8486.21  187.248  8295.43  228.279  8878.56  327.363   92.358   1.2733   95.462   1.7666 -3.103928 2.177642 
1 1 1    5   35   20 o   43.105   0.9384  1806.86   76.925  1801.56   99.223  1814.83  121.787   43.037   1.1877   43.173   1.4532 -0.1354599 1.876801 
1 1 1    5   35   21 o   63.489   0.9376  3924.95  112.266  3919.86  142.734  3933.22  181.796   63.462   1.1586   63.516   1.4745 -0.5349731E-01 1.875238 
1 1 1    5   35   22 o   46.800   0.9762  2147.23   87.242  2200.37  114.388  2073.34  134.888   47.518   1.2401   46.082   1.5079 1.436108 1.952342 
1 1 1    5   35   23 o   35.286   1.1274  1206.86   76.829  1101.32  102.561  1341.81  115.976   33.549   1.5749   37.023   1.6137 -3.474724 2.254830 
1 1 1    5   35   24 o   14.530   2.3640  225.656   67.950  293.561   92.896  147.516   99.651   17.091   2.8001   11.968   3.8098 5.122713 4.728065 
1 1 1    5   35   25 o   43.651   1.0047  1885.72   83.830  1960.53  110.706  1785.16  128.348   44.725   1.2751   42.577   1.5529 2.147095 2.009356 
1 1 1    5   35   26 o   33.133   1.2301  1078.13   78.062  1030.87  101.484  1146.60  122.163   32.297   1.6187   33.968   1.8527 -1.670692 2.460218 
1 1 1    5   35   27 o   39.344   1.1337  1567.74   84.070  1701.34  109.751  1378.03  130.782   41.535   1.3612   37.153   1.8134 4.381565 2.267442 
1 1 1    5   35   28 o   12.866   2.6465  191.840   72.441  241.792   99.449  135.377  105.733   14.585   3.5468   11.147   3.9290 3.438127 5.293077 
1 1 1    5   36    0 o  120.437   1.1185 14139.47  253.020 14298.52  320.658 13877.07  411.875  121.348   1.3613  119.527   1.7751 1.820457 2.237009 
1 1 1    5   36    1 o  101.452   1.1119  9995.81  218.965 10033.11  309.717  9958.54  309.610  101.641   1.5697  101.262   1.5751 0.3785934 2.223731 
1 1 1    5   36    2 o   79.340   0.8815  6114.51  127.011  6118.92  154.437  6105.31  223.262   79.390   1.0021   79.290   1.4505 0.9939575E-01 1.763041 
1 1 1    5   36    3 o   56.271   0.7600  3047.68   77.874  2998.88   94.549  3150.62  137.314   55.580   0.8763   56.963   1.2418 -1.382851 1.519904 
1 1 1    5   36    4 o  170.871   1.3416 28398.23  424.681 28468.67  527.378 28268.28  716.268  171.200   1.5869  170.541   2.1636 0.6584320 2.683194 
1 1 1    5   36    5 o   85.607   1.0127  7099.68  167.833  6884.33  227.804  7355.34  248.211   84.192   1.3939   87.021   1.4694 -2.829247 2.025325 
1 1 1    5   36    6 o   70.276   0.8251  4819.18  106.901  4871.43  132.310  4720.94  181.421   70.833   0.9623   69.718   1.3405 1.114243 1.650141 
1 1 1    5   36    7 o   63.862   0.7988  3957.28   93.415  3950.74  114.427  3970.36  161.752   63.789   0.9241   63.936   1.3033 -0.1469803 1.597659 
1 1 1    5   36    8 o  101.789   1.0124  9938.57  188.792  9692.42  230.120 10445.31  330.180   99.900   1.1867  103.679   1.6406 -3.778679 2.024754 
1 1 1    5   36    9 o  172.475   1.4058 28932.82  448.459 28945.63  555.585 28908.87  759.712  172.579   1.6584  172.371   2.2705 0.2084503 2.811675 
1 1 1    5   36   10 o   42.151   0.8148  1709.21   63.630  1672.22   78.566  1779.73  108.474   41.498   0.9753   42.803   1.3055 -1.305355 1.629605 
1 1 1    5   36   11 o   49.358   0.8197  2385.51   74.474  2428.20   92.191  2305.33  126.349   50.005   0.9498   48.711   1.3362 1.293865 1.639365 
1 1 1    5   36   12 o   65.982   0.8345  4262.52  101.617  4339.72  126.160  4119.92  171.461   66.848   0.9722   65.115   1.3565 1.732666 1.668922 
1 1 1    5   36   13 o   81.840   0.9146  6476.38  137.484  6411.81  168.596  6604.55  237.529   81.248   1.0690   82.432   1.4844 -1.183945 1.829267 
1 1 1    5   36   14 o   96.346   1.0125  9005.25  180.267  8966.13  222.834  9079.33  306.656   96.065   1.1950   96.627   1.6349 -0.5619278 2.025038 
1 1 1    5   36   15 o   69.449   0.8953  4693.04  114.560  4705.90  141.398  4668.48  195.439   69.601   1.0466   69.296   1.4529 0.3049698 1.790588 
1 1 1    5   36   16 o   89.202   1.0051  7644.72  165.376  7448.09  203.000  8032.72  285.162   87.542   1.1946   90.862   1.6167 -3.320511 2.010198 
1 1 1    5   36   17 f   56.787   0.8677  3109.16   92.164  3041.38  115.188  3229.75  153.646   55.945   1.0607   57.629   1.3735 -1.683754 1.735337 
1 1 1    5   36   18 o   43.758   0.9111  1836.18   74.978  1762.93   94.088  1963.63  124.111   42.588   1.1381   44.928   1.4231 -2.340557 1.822203 
1 1 1    5   36   19 o   67.219   0.9326  4402.42  116.350  4419.41  144.875  4371.56  195.273   67.424   1.1069   67.013   1.5011 0.4111252 1.865111 
1 1 1    5   36   20 o   36.419   1.0221  1313.91   70.782  1430.11   93.895  1160.95  107.725   38.332   1.2619   34.507   1.6082 3.825031 2.044189 
1 1 1    5   36   21 o   6.6841   2.1795 -68.2092   65.173 -52.9044   85.166 -89.8373  101.242   6.5889   3.0053   6.7794   3.1573 -0.1905184 4.358928 
1 1 1    5   36   22 o   57.993   0.9326  3274.91  102.347  3254.54  130.714  3307.18  164.533   57.792   1.1652   58.193   1.4565 -0.4010658 1.865220 
1 1 1    5   36   23 o   48.626   0.9591  2308.66   88.478  2303.13  113.636  2317.19  140.999   48.586   1.2049   48.666   1.4925 -0.8036041E-01 1.918176 
1 1 1    5   36   24 o   23.604   1.6054  576.888   70.485  692.842   94.435  431.040  105.911   26.493   1.8362   20.714   2.6339 5.778975 3.210812 
1 1 1    5   36   25 f   23.467   1.6568  571.447   72.711  670.292   97.122  445.400  109.675   25.981   1.9257   20.952   2.6966 5.028435 3.313599 
1 1 1    5   36   26 o   6.9027   2.2408 -75.6817   72.187  -2.0562   95.694 -172.8978  109.962   7.7597   3.3819   6.0457   2.9408 1.713964 4.481670 
1 1 1    5   36   27 o   17.647   2.3028  336.059   76.412  336.848  101.473  335.025  116.129   17.942   2.9135   17.352   3.5668 0.5894279 4.605511 
1 1 1    5   36   28 o   10.508   2.8983   75.101   85.239  200.349  144.563   8.3508  105.536   12.915   4.5896   8.1011   3.5405 4.813961 5.796535 
1 1 1    5   37    0 o  185.301   1.4380 33473.67  506.534 33912.22  655.469 32823.49  798.102  186.835   1.8073  183.766   2.2373 3.069046 2.876092 
1 1 1    5   37    1 o  109.273   1.1756 11602.81  249.175 11704.70  346.394 11493.55  358.701  109.773   1.6256  108.774   1.6988 0.9985428 2.351266 
1 1 1    5   37    2 o   81.675   0.9944  6470.98  157.262  6375.98  214.165  6582.13  231.668   81.027   1.3616   82.324   1.4497 -1.296349 1.988867 
1 1 1    5   37    3 o  143.621   1.2682 20051.29  336.572 20072.90  416.596 20010.69  571.135  143.756   1.4929  143.485   2.0505 0.2703705 2.536406 
1 1 1    5   37    4 o   94.061   0.9626  8572.90  166.189  8531.25  203.902  8655.31  286.829   93.732   1.1206   94.391   1.5654 -0.6584244 1.925192 
1 1 1    5   37    5 f  118.330   1.0979 13652.95  241.013 13774.36  300.272 13433.08  404.076  119.089   1.2989  117.571   1.7705 1.518402 2.195874 
1 1 1    5   37    6 o   63.366   0.8112  3961.77   95.207  4121.64  119.435  3683.13  157.682   65.153   0.9443   61.579   1.3191 3.574379 1.622305 
1 1 1    5   37    7 f   7.0998   2.0196   2.7831   48.977   60.934   60.713 -105.5656   82.874   8.4588   2.9777   5.7408   2.7292 2.717999 4.039224 
1 1 1    5   37    8 o   38.712   0.8194  1454.45   59.021  1451.83   73.604  1459.16   98.779   38.667   0.9806   38.757   1.3129 -0.9030914E-01 1.638719 
1 1 1    5   37    9 o   38.235   0.8341  1441.26   59.475  1502.41   75.284  1339.74   97.006   39.334   0.9860   37.136   1.3457 2.197914 1.668212 
1 1 1    5   37   10 o  129.704   1.2053 16273.25  289.246 16089.24  357.451 16622.28  492.296  128.678   1.4310  130.730   1.9399 -2.052368 2.410625 
1 1 1    5   37   11 o  125.355   1.1781 15278.16  272.248 15279.83  336.004 15274.96  464.522  125.398   1.3804  125.312   1.9096 0.8627319E-01 2.356285 
1 1 1    5   37   12 o   46.281   0.8383  2081.45   71.073  2082.84   87.144  2078.68  122.825   46.311   0.9694   46.251   1.3681 0.5991745E-01 1.676684 
1 1 1    5   37   13 o   29.556   1.0363  847.445   58.064  841.389   74.364  856.904   92.936   29.426   1.3019   29.687   1.6127 -0.2608604 2.072621 
1 1 1    5   37   14 o   92.060   1.0245  8240.20  174.376  8243.50  215.943  8234.03  295.628   92.108   1.2077   92.011   1.6552 0.9731293E-01 2.048949 
1 1 1    5   37   15 o   53.191   0.8363  2715.30   83.030  2629.72  103.254  2871.90  139.676   52.028   1.0224   54.354   1.3238 -2.326027 1.672633 
1 1 1    5   37   16 o   76.286   0.9230  5671.15  131.372  5707.89  164.748  5606.98  217.706   76.643   1.1073   75.929   1.4771 0.7140808 1.846048 
1 1 1    5   37   17 o   78.181   0.9287  5910.85  135.450  5825.88  168.983  6063.57  226.538   77.420   1.1244   78.942   1.4783 -1.522438 1.857340 
1 1 1    5   37   18 o   66.951   0.8963  4369.25  111.298  4393.85  138.524  4324.43  186.941   67.237   1.0613   66.665   1.4446 0.5720596 1.792550 
1 1 1    5   37   19 o   56.593   0.8882  3102.66   94.439  3064.62  119.041  3167.25  155.126   56.143   1.0923   57.043   1.4009 -0.9002266 1.776436 
1 1 1    5   37   20 o   27.761   1.3038  771.789   67.509  831.692   86.466  678.262  108.041   29.204   1.5252   26.317   2.1149 2.887642 2.607525 
1 1 1    5   37   21 o   54.351   0.8736  2896.30   90.716  2989.14  119.313  2769.10  139.660   55.410   1.1093   53.293   1.3500 2.117668 1.747285 
1 1 1    5   37   22 o   34.756   1.1315  1186.86   75.466  1216.98  100.196  1147.38  114.721   35.291   1.4626   34.221   1.7270 1.069294 2.263093 
1 1 1    5   37   23 o   38.970   1.0738  1500.58   79.591  1556.87  103.890  1420.60  123.837   39.903   1.3412   38.037   1.6772 1.865269 2.147501 
1 1 1    5   37   24 o   29.389   1.3215  850.050   74.706  821.633   98.513  888.508  114.605   28.847   1.7593   29.932   1.9724 -1.085604 2.643012 
1 1 1    5   37   25 o   38.782   1.0910  1479.96   81.361  1466.13  107.732  1498.31  124.125   38.610   1.4374   38.954   1.6415 -0.3437767 2.181905 
1 1 1    5   37   26 o   39.501   1.1428  1545.59   86.451  1539.31  113.326  1554.33  133.708   39.472   1.4790   39.529   1.7425 -0.5737305E-01 2.285559 
1 1 1    5   37   27 o   9.0253   2.5851   33.401   73.496 -31.3823   97.262  119.630  112.212   7.2007   3.2556   10.850   4.0165 -3.649124 5.170183 
1 1 1    5   37   28 o   19.931   2.5292  429.788   93.287  644.764  147.751  287.281  120.296   24.368   3.1236   15.495   3.9788 8.872490 5.058397 
1 1 1    5   38    0 o  107.455   1.0406 11213.25  207.187 11207.99  257.160 11222.97  349.764  107.431   1.2331  107.478   1.6764 -0.4726410E-01 2.081123 
1 1 1    5   38    1 o  196.311   1.6260 37480.10  619.441 37638.15  866.594 37314.98  885.763  196.739   2.2691  195.883   2.3295 0.8562775 3.251973 
1 1 1    5   38    2 o  158.414   1.4351 24403.53  441.129 24832.79  619.213 23961.16  628.595  159.833   1.9958  156.995   2.0626 2.838196 2.870100 
1 1 1    5   38    3 o   85.442   1.0405  7087.11  172.433  6985.59  238.317  7198.65  249.803   84.801   1.4477   86.083   1.4949 -1.281158 2.081034 
1 1 1    5   38    4 o   64.381   0.7979  4037.93   94.973  4067.60  117.802  3982.84  160.527   64.725   0.9376   64.037   1.2914 0.6884232 1.595855 
1 1 1    5   38    5 o   36.776   0.9539  1310.10   67.960  1259.70   92.612  1368.91  100.037   36.012   1.3248   37.540   1.3728 -1.527538 1.907782 
1 1 1    5   38    6 o   71.897   0.8411  4996.19  110.547  4949.39  134.926  5091.76  192.811   71.395   0.9736   72.399   1.3719 -1.004440 1.682270 
1 1 1    5   38    7 o   66.125   0.8174  4315.81   99.610  4479.71  124.154  4019.72  166.878   67.923   0.9416   64.327   1.3364 3.595589 1.634829 
1 1 1    5   38    8 o   53.335   0.7954  2786.94   77.740  2838.13   95.799  2688.24  133.035   54.064   0.9128   52.606   1.3028 1.458118 1.590735 
1 1 1    5   38    9 o   45.042   0.8033  1998.75   66.175  2058.45   81.643  1884.40  112.988   46.042   0.9135   44.042   1.3216 2.000412 1.606588 
1 1 1    5   38   10 o   52.523   0.8032  2650.57   77.476  2592.10   94.734  2768.67  134.629   51.664   0.9446   53.382   1.2992 -1.717773 1.606308 
1 1 1    5   38   11 o   19.146   1.4721  351.557   53.632  332.169   68.524  382.214   86.165   18.479   1.9103   19.813   2.2403 -1.334734 2.944226 
1 1 1    5   38   12 o   40.919   0.8808  1611.49   66.629  1577.82   82.082  1676.53  114.084   40.304   1.0491   41.533   1.4150 -1.229115 1.761527 
1 1 1    5   38   13 o  102.719   1.0817 10337.14  203.423 10500.81  250.289 10018.61  349.161  103.956   1.2403  101.482   1.7724 2.474258 2.163307 
1 1 1    5   38   14 o   11.295   2.3728  128.982   55.762  146.550   70.233   99.020   91.719   12.011   3.0165   10.579   3.6637 1.432275 4.745669 
1 1 1    5   38   15 o   43.595   0.8456  1828.15   70.539  1741.70   91.393  1955.53  110.939   42.337   1.1121   44.852   1.2742 -2.515533 1.691227 
1 1 1    5   38   16 o   32.186   1.0436  994.498   63.839  946.278   81.449  1071.31  102.796   31.194   1.3451   33.178   1.5961 -1.983749 2.087298 
1 1 1    5   38   17 o   84.947   0.9812  7035.42  155.716  7080.27  195.616  6957.84  257.270   85.343   1.1808   84.551   1.5675 0.7915573 1.962469 
1 1 1    5   38   18 o   10.228   2.5423   91.976   63.312  116.743   79.675   49.545  104.285   10.915   3.3975   9.5423   3.7828 1.372260 5.084555 
1 1 1    5   38   19 o   49.733   0.8723  2390.36   82.402  2329.62  105.500  2485.39  131.961   48.940   1.1105   50.525   1.3455 -1.584801 1.744565 
1 1 1    5   38   20 o   45.368   0.9588  2022.14   82.039  2078.57  105.133  1934.27  131.187   46.207   1.1721   44.529   1.5177 1.678028 1.917586 
1 1 1    5   38   21 o   46.970   0.9369  2163.00   83.614  2209.02  108.367  2095.31  131.442   47.615   1.1724   46.324   1.4617 1.290997 1.873819 
1 1 1    5   38   22 o   21.992   1.5039  476.259   64.157  452.548   89.331  501.518   92.200   21.424   2.1481   22.560   2.1054 -1.136295 3.007783 
1 1 1    5   38   23 o   54.254   0.9255  2864.54   94.988  2811.71  120.919  2949.68  153.503   53.651   1.1611   54.856   1.4415 -1.205685 1.850966 
1 1 1    5   38   24 o   15.851   2.3174  268.733   68.411  274.064   90.824  261.742  104.007   16.137   3.0101   15.565   3.5242 0.5721273 4.634776 
1 1 1    5   38   25 o   30.242   1.3118  918.377   75.677  966.886   99.957  853.231  115.837   31.263   1.6471   29.221   2.0421 2.042521 2.623577 
1 1 1    5   38   26 o   14.679   2.2845  210.565   72.480   53.931   94.396  435.560  113.135   8.8869   3.5734   20.471   2.8470 -11.58424 4.568906 
1 1 1    5   38   27 o   22.689   1.6953  528.057   74.478  479.677  102.187  582.881  108.778   21.561   2.4416   23.818   2.3528 -2.257082 3.390681 
1 1 1    5   39    0 o  105.268   1.0344 10787.27  201.732 10840.30  250.687 10689.84  339.809  105.650   1.2224  104.887   1.6690 0.7635117 2.068726 
1 1 1    5   39    1 o   27.816   0.9179  736.993   46.111  713.229   55.365  790.799   83.309   27.102   1.0524   28.531   1.5042 -1.428902 1.835827 
1 1 1    5   39    2 o  110.309   1.2219 11825.56  261.639 11907.77  369.085 11742.51  370.949  110.695   1.7176  109.922   1.7385 0.7724915 2.443878 
1 1 1    5   39    3 o   62.125   0.8923  3749.52  107.557  3893.92  152.314  3605.92  151.902   63.319   1.2392   60.931   1.2843 2.388031 1.784662 
1 1 1    5   39    4 o   86.210   0.9181  7234.48  145.330  7267.06  178.788  7171.02  249.512   86.507   1.0647   85.913   1.4961 0.5943298 1.836283 
1 1 1    5   39    5 o   94.809   0.9804  8785.91  171.601  8909.35  212.876  8556.87  289.977   95.780   1.1450   93.839   1.5919 1.940445 1.960881 
1 1 1    5   39    6 o   29.455   0.9821  844.666   53.722  849.143   66.954  836.573   90.014   29.568   1.1665   29.341   1.5804 0.2278309 1.964297 
1 1 1    5   39    7 o  105.304   1.0476 10815.20  204.235 10912.06  253.859 10637.49  343.874  105.992   1.2338  104.615   1.6933 1.376602 2.095151 
1 1 1    5   39    8 o   84.753   0.9245  6982.41  143.986  6990.79  177.149  6966.10  247.169   84.841   1.0756   84.666   1.5039 0.1756821 1.848985 
1 1 1    5   39    9 o  113.011   1.1015 12382.15  228.651 12315.76  280.731 12512.99  394.099  112.589   1.2845  113.433   1.7898 -0.8445282 2.203000 
1 1 1    5   39   10 o   23.188   1.2997  534.287   55.171  559.555   68.480  487.548   93.134   23.995   1.4702   22.381   2.1437 1.613945 2.599463 
1 1 1    5   39   11 o   71.563   0.8564  4980.60  112.980  4991.88  139.509  4959.08  192.587   71.692   1.0025   71.434   1.3888 0.2576447 1.712840 
1 1 1    5   39   12 o   21.188   1.3846  417.433   55.467  354.798   69.471  527.570   92.122   19.095   1.8742   23.280   2.0385 -4.184389 2.769138 
1 1 1    5   39   13 o   5.6438   1.8927 -103.4711   56.920 -51.9102   71.223 -194.6154   94.695   5.9319   2.7217   5.3556   2.6310 0.5763946 3.785449 
1 1 1    5   39   14 f   54.821   0.8517  2912.55   86.717  2892.49  107.767  2949.39  146.059   54.565   1.0174   55.078   1.3661 -0.5129547 1.703371 
1 1 1    5   39   15 o   19.922   1.6093  388.246   59.855  391.288   75.164  382.973   98.954   20.043   1.9319   19.801   2.5744 0.2413235 3.218635 
1 1 1    5   39   16 o   51.688   0.8709  2562.51   83.473  2483.29  102.969  2714.36  142.562   50.551   1.0493   52.826   1.3903 -2.275005 1.741813 
1 1 1    5   39   17 o   56.103   0.8800  3057.22   91.578  3048.65  113.747  3073.01  154.394   56.007   1.0462   56.199   1.4153 -0.1920815 1.759988 
1 1 1    5   39   18 o   30.523   1.1810  944.629   66.813  1071.35   86.567  757.921  105.076   33.180   1.3440   27.867   1.9424 5.312523 2.362087 
1 1 1    5   39   19 o   51.325   0.9019  2578.68   86.823  2619.26  109.959  2511.49  141.490   51.887   1.0917   50.764   1.4358 1.122654 1.803744 
1 1 1    5   39   20 o   45.240   0.9391  1994.59   80.028  1993.22  101.570  1996.82  129.958   45.243   1.1565   45.237   1.4799 0.6057739E-02 1.878228 
1 1 1    5   39   21 o   14.108   2.2958  222.175   64.178  292.605   82.018  110.947  103.071   17.203   2.4561   11.013   3.8795 6.189428 4.591619 
1 1 1    5   39   22 o   15.617   2.1854  242.714   64.628  163.733   85.059  350.583   99.405   12.500   3.4106   18.735   2.7333 -6.235220 4.370751 
1 1 1    5   39   23 o   22.609   1.4756  509.771   64.387  451.914   91.607  566.260   90.517   21.303   2.2152   23.915   1.9498 -2.611610 2.951142 
1 1 1    5   39   24 o   34.602   1.1193  1175.02   75.004  1102.37  101.907  1260.89  110.792   33.445   1.5697   35.759   1.5961 -2.314751 2.238609 
1 1 1    5   39   25 o   22.870   1.6844  528.994   74.372  520.176   99.785  540.015  111.552   22.703   2.2642   23.038   2.4944 -0.3348904 3.368781 
1 1 1    5   39   26 o   10.941   2.6447  114.778   74.464  202.360  104.648   24.953  105.980   13.330   3.8370   8.5530   3.6407 4.777010 5.289311 
1 1 1    5   39   27 o   23.221   1.6919  555.443   75.413  453.167  103.203  672.624  110.467   20.838   2.5514   25.604   2.2226 -4.766073 3.383719 
1 1 1    5   40    0 o   93.482   0.9896  8466.64  168.669  8424.04  205.559  8554.43  295.087   93.137   1.1370   93.828   1.6201 -0.6909256 1.979289 
1 1 1    5   40    1 o  194.457   1.5087 36786.62  554.673 36827.37  708.545 36722.11  891.425  194.640   1.8753  194.274   2.3638 0.3665619 3.017309 
1 1 1    5   40    2 o   66.716   0.9294  4324.29  120.126  4335.72  164.888  4311.36  175.363   66.812   1.2714   66.621   1.3560 0.1912842 1.858793 
1 1 1    5   40    3 o   66.794   0.8241  4320.09  100.222  4296.04  121.963  4370.09  175.871   66.516   0.9446   67.072   1.3508 -0.5562057 1.648285 
1 1 1    5   40    4 o   67.614   0.8457  4468.61  104.375  4525.07  127.927  4356.19  180.516   68.265   0.9654   66.963   1.3887 1.302139 1.691315 
1 1 1    5   40    5 o  118.081   1.1474 13518.85  249.415 13451.45  306.962 13649.79  427.871  117.673   1.3438  118.489   1.8602 -0.8163910 2.294863 
1 1 1    5   40    6 o   53.191   0.7880  2747.43   76.398  2746.73   93.190  2748.84  133.416   53.187   0.9026   53.196   1.2920 -0.9002686E-02 1.576075 
1 1 1    5   40    7 o   56.195   0.7824  3059.16   80.899  3042.28   99.501  3092.07  138.953   55.973   0.9158   56.417   1.2688 -0.4437981 1.564764 
1 1 1    5   40    8 o   31.809   0.9473  972.607   55.656  949.829   68.451  1017.04   95.607   31.271   1.1277   32.348   1.5226 -1.077215 1.894680 
1 1 1    5   40    9 o   87.233   0.9584  7394.46  153.585  7395.13  188.837  7393.16  263.977   87.254   1.1149   87.211   1.5593 0.4380798E-01 1.916879 
1 1 1    5   40   10 o   85.986   0.9563  7182.19  150.617  7177.07  184.594  7192.38  260.518   85.957   1.1063   86.015   1.5603 -0.5761719E-01 1.912673 
1 1 1    5   40   11 o   64.000   0.8360  3980.65   98.420  3983.22  121.203  3975.67  168.638   64.040   0.9750   63.960   1.3583 0.8082581E-01 1.671964 
1 1 1    5   40   12 o   12.236   2.2522  155.432   53.863  175.070   68.924  124.623   86.330   13.145   2.7875   11.326   3.5384 1.819943 4.504447 
1 1 1    5   40   13 o   49.621   0.8558  2377.21   79.272  2336.87   98.906  2449.66  132.557   49.045   1.0389   50.197   1.3604 -1.152630 1.711685 
1 1 1    5   40   14 o   14.578   2.2189  191.413   61.981  116.033   77.329  326.861  103.657   10.877   3.3407   18.279   2.9212 -7.402192 4.437789 
1 1 1    5   40   15 o   52.611   0.8790  2673.18   85.672  2632.11  105.926  2750.85  145.678   52.044   1.0485   53.178   1.4112 -1.134502 1.758099 
1 1 1    5   40   16 o   87.264   1.0187  7423.99  164.598  7460.32  204.424  7357.02  277.554   87.600   1.2022   86.928   1.6448 0.6712646 2.037318 
1 1 1    5   40   17 o   39.125   0.9853  1495.11   72.658  1513.30   92.613  1465.98  117.175   39.448   1.2094   38.802   1.5557 0.6463394 1.970504 
1 1 1    5   40   18 o   34.632   1.0384  1167.01   68.509  1160.92   88.634  1176.05  107.976   34.532   1.3222   34.732   1.6015 -0.1997223 2.076829 
1 1 1    5   40   19 o   16.852   2.1002  284.903   64.072  282.861   79.646  288.649  107.863   16.963   2.4188   16.742   3.4342 0.2212238 4.200477 
1 1 1    5   40   20 o   17.294   1.9171  312.023   60.252  378.865   81.412  231.077   89.591   19.634   2.1361   14.953   3.1840 4.680186 3.834210 
1 1 1    5   40   21 o   29.896   1.2717  910.870   69.491  996.053   87.453  764.956  114.458   31.928   1.4110   27.865   2.1161 4.063564 2.543372 
1 1 1    5   40   22 o   9.6257   2.5272   74.602   65.575  113.111   84.995   17.969  103.072   10.665   3.5280   8.5867   3.6195 2.077977 5.054458 
1 1 1    5   40   23 o   8.1211   2.3932   15.571   64.951   59.388   88.932 -34.5197   95.085   9.0279   3.5191   7.2143   3.2442 1.813554 4.786309 
1 1 1    5   40   24 o   10.556   2.5021  108.007   64.527   44.397   93.538  165.766   89.132   8.7401   3.5421   12.372   3.5350 -3.632275 5.004245 
1 1 1    5   40   25 o   26.913   1.3631  722.745   71.093  671.024   97.752  780.821  103.583   25.886   1.9453   27.939   1.9099 -2.053146 2.726149 
1 1 1    5   40   26 o   23.240   1.6226  556.797   72.396  625.637  100.294  481.903  104.610   24.858   2.0784   21.622   2.4924 3.236500 3.245296 
1 1 1    5   40   27 f   21.810   2.3040  533.749   90.744  485.487  146.043  564.100  115.814   20.431   3.8228   23.189   2.5728 -2.757771 4.607998 
1 1 1    5   41    0 o   75.804   0.8606  5565.56  118.874  5535.96  144.782  5626.78  208.239   75.505   0.9878   76.103   1.4096 -0.5982513 1.721251 
1 1 1    5   41    1 o   26.351   1.0492  658.264   48.037  638.885   56.110  711.447   92.952   25.648   1.1270   27.053   1.7700 -1.405094 2.098327 
1 1 1    5   41    2 o   22.295   1.4741  505.640   60.799  588.177   79.449  388.992   94.450   24.600   1.6637   19.990   2.4340 4.609917 2.948248 
1 1 1    5   41    3 o   11.476   2.2513  131.812   48.581  134.913   57.167  123.751   92.169   11.543   2.6123   11.408   3.6674 0.1342802 4.502634 
1 1 1    5   41    4 o   90.867   0.9818  7969.19  162.118  7874.56  196.639  8170.00  286.457   90.045   1.1250   91.688   1.6095 -1.643471 1.963658 
1 1 1    5   41    5 o  124.173   1.1827 15048.68  270.263 15181.56  333.666 14795.21  460.837  125.003   1.3751  123.343   1.9247 1.660606 2.365461 
1 1 1    5   41    6 o   68.459   0.8340  4509.75  103.544  4434.82  125.221  4671.74  184.122   67.578   0.9546   69.340   1.3679 -1.761971 1.668053 
1 1 1    5   41    7 o   34.307   0.9076  1174.00   57.804  1263.02   73.517  1029.85   93.552   36.061   1.0502   32.552   1.4805 3.509117 1.815162 
1 1 1    5   41    8 o   41.277   0.9540  1654.11   76.354  1627.45  105.101  1683.90  111.111   40.926   1.3229   41.628   1.3750 -0.7018852 1.908097 
1 1 1    5   41    9 o   46.736   0.8335  2144.52   71.331  2192.20   87.927  2052.71  121.998   47.511   0.9534   45.960   1.3674 1.550823 1.666976 
1 1 1    5   41   10 f  120.067   1.1476 13973.15  253.503 13878.55  311.684 14158.04  435.724  119.503   1.3436  120.631   1.8608 -1.127380 2.295137 
1 1 1    5   41   11 o  105.070   1.0768 10738.44  208.267 10748.46  256.697 10719.13  356.268  105.171   1.2574  104.969   1.7484 0.2019653 2.153595 
1 1 1    5   41   12 o   44.429   0.8672  1946.16   72.663  2048.89   93.801  1791.99  114.904   45.924   1.0522   42.934   1.3787 2.989838 1.734343 
1 1 1    5   41   13 o  113.588   1.2186 12569.26  255.602 12595.70  316.226 12519.45  434.118  113.810   1.4314  113.367   1.9727 0.4422226 2.437268 
1 1 1    5   41   14 o   41.947   0.9410  1722.32   73.662  1753.34   92.688  1669.13  121.363   42.474   1.1242   41.420   1.5094 1.054554 1.882054 
1 1 1    5   41   15 o   37.010   0.9917  1337.80   68.651  1352.97   86.495  1311.97  112.856   37.306   1.1944   36.715   1.5835 0.5916519 1.983451 
1 1 1    5   41   16 o   27.179   1.2684  744.236   63.859  818.308   81.662  627.645  102.453   28.998   1.4507   25.361   2.0811 3.637320 2.536885 
1 1 1    5   41   17 o   82.919   0.9955  6695.97  153.602  6702.28  191.723  6684.65  256.673   83.009   1.1898   82.829   1.5964 0.1805344 1.990999 
1 1 1    5   41   18 o   29.662   1.2113  833.153   68.309  739.191   86.596  987.925  111.139   27.524   1.6208   31.800   1.8004 -4.275896 2.422509 
1 1 1    5   41   19 o   28.035   1.2772  758.497   67.477  727.375   84.948  811.710  111.079   27.290   1.6036   28.780   1.9883 -1.490246 2.554352 
1 1 1    5   41   20 o   53.916   0.9160  2846.33   91.788  2872.48  114.650  2799.65  153.182   54.303   1.0876   53.528   1.4742 0.7741508 1.832007 
1 1 1    5   41   21 o   33.583   1.1369  1142.90   70.554  1253.14   89.926  966.390  113.792   35.819   1.2933   31.347   1.8700 4.471527 2.273714 
1 1 1    5   41   22 o   26.020   1.3484  669.247   66.771  668.663   86.350  670.114  105.302   26.053   1.7074   25.987   2.0875 0.6642151E-01 2.696809 
1 1 1    5   41   23 o   10.422   2.6122  104.653   66.087  104.459   90.561  104.875   96.659   10.363   3.6375   10.481   3.7499 -0.1183004 5.224307 
1 1 1    5   41   24 o   25.995   1.4737  687.530   73.116  778.570   99.786  581.987  107.440   27.973   1.8376   24.017   2.3045 3.955898 2.947468 
1 1 1    5   41   25 o   14.256   2.4516  234.720   73.903  331.933   98.509  109.571  111.771   17.858   2.8417   10.653   3.9957 7.204665 4.903131 
1 1 1    5   41   26 o   16.742   2.3699  311.977   75.715  187.363  103.870  453.270  110.603   12.708   3.8659   20.777   2.7424 -8.069087 4.739824 
1 1 1    5   42    0 o   17.391   1.5002  270.289   44.986  245.556   51.705  347.327   91.253   15.895   1.6758   18.888   2.4888 -2.993227 3.000409 
1 1 1    5   42    1 f   12.485   1.8886  168.818   42.279  193.375   51.164  115.946   75.074   14.103   1.8689   10.866   3.2824 3.236337 3.777170 
1 1 1    5   42    2 o   73.080   0.9682  5188.22  137.210  5180.25  189.825  5196.94  198.559   73.023   1.3392   73.137   1.3986 -0.1144562 1.936323 
1 1 1    5   42    3 o   51.489   0.7947  2570.76   73.798  2563.65   89.109  2586.29  131.670   51.383   0.8934   51.596   1.3146 -0.2133026 1.589465 
1 1 1    5   42    4 o   58.474   0.8156  3351.90   86.256  3407.60  104.939  3235.88  151.448   59.238   0.9126   57.709   1.3519 1.528629 1.631100 
1 1 1    5   42    5 o   50.533   0.8089  2521.04   74.025  2597.91   90.503  2365.67  128.666   51.723   0.9014   49.343   1.3433 2.380917 1.617710 
1 1 1    5   42    6 o   69.732   0.8572  4754.46  109.934  4821.58  135.823  4626.97  187.195   70.461   0.9930   69.003   1.3975 1.457108 1.714405 
1 1 1    5   42    7 f   75.814   0.8809  5557.44  122.669  5502.45  150.438  5666.54  211.906   75.269   1.0296   76.359   1.4296 -1.090416 1.761786 
1 1 1    5   42    8 f   15.046   2.0202  234.606   54.240  254.611   67.146  197.039   92.013   16.172   2.1389   13.921   3.4278 2.251328 4.040385 
1 1 1    5   42    9 o   73.843   0.8904  5276.86  120.952  5231.86  148.611  5365.16  208.168   73.391   1.0431   74.294   1.4434 -0.9031448 1.780897 
1 1 1    5   42   10 o   54.492   0.8214  2907.47   83.366  2967.55  104.708  2803.43  137.779   55.275   0.9759   53.708   1.3215 1.566261 1.642778 
1 1 1    5   42   11 o   55.621   0.8438  3047.74   86.438  3143.92  107.474  2871.56  145.454   56.892   0.9732   54.350   1.3787 2.541515 1.687535 
1 1 1    5   42   12 o   85.379   0.9733  7091.95  152.563  7100.67  187.533  7074.90  262.349   85.482   1.1302   85.277   1.5848 0.2044601 1.946521 
1 1 1    5   42   13 o   15.137   2.2465  223.238   62.659  187.183   79.277  283.255  102.283   13.559   3.0819   16.715   3.2694 -3.156397 4.492983 
1 1 1    5   42   14 o   84.488   0.9893  6981.55  155.837  7083.47  195.675  6804.80  257.683   85.362   1.1809   83.613   1.5876 1.748810 1.978634 
1 1 1    5   42   15 o   20.714   1.5759  424.310   61.806  446.206   80.313  392.511   96.787   21.393   1.9339   20.035   2.4886 1.357792 3.151703 
1 1 1    5   42   16 o   50.567   0.8728  2480.52   83.255  2459.65  105.695  2514.65  135.137   50.300   1.0825   50.834   1.3695 -0.5345726 1.745624 
1 1 1    5   42   17 o   74.920   0.9474  5475.55  131.822  5499.81  164.300  5431.71  220.852   75.190   1.1257   74.651   1.5241 0.5383453 1.894700 
1 1 1    5   42   18 o   57.674   0.9041  3231.81   96.943  3211.25  120.652  3269.27  162.843   57.445   1.0820   57.902   1.4488 -0.4569283 1.808234 
1 1 1    5   42   19 o   37.393   1.0356  1365.39   72.684  1365.81   91.783  1364.67  119.029   37.429   1.2632   37.357   1.6414 0.7265472E-01 2.071239 
1 1 1    5   42   20 f   6.8476   2.2077 -68.7665   61.871 -103.1662   76.406  -3.2473  105.447   5.3776   2.5741   8.3175   3.5875 -2.939943 4.415460 
1 1 1    5   42   21 o   7.1111   2.2022 -13.7836   57.981 -23.8085   79.692  -2.5086   84.515   6.7850   3.0161   7.4371   3.2098 -0.6521521 4.404495 
1 1 1    5   42   22 o   26.576   1.3064  686.440   66.507  625.666   86.007  776.823  104.886   25.164   1.7607   27.989   1.9305 -2.825377 2.612846 
1 1 1    5   42   23 o   11.485   2.6224  131.246   67.186   91.217   88.209  186.559  103.689   9.8949   3.5771   13.075   3.8355 -3.180305 5.244742 
1 1 1    5   42   24 f   24.102   1.5735  583.398   72.879  564.906   95.871  608.711  112.170   23.710   2.0830   24.494   2.3591 -0.7843323 3.147090 
1 1 1    5   42   25 o   9.7151   2.6393   81.264   72.233  118.567   95.730   31.948  110.070   10.635   3.7395   8.7949   3.7256 1.840382 5.278626 
1 1 1    5   42   26 o   12.312   2.6736  159.373   76.426   63.876  101.581  283.945  116.018   9.1179   3.6926   15.506   3.8674 -6.388495 5.347140 
1 1 1    5   43    0 o   60.381   0.8075  3526.82   86.153  3506.45  102.319  3576.44  159.696   60.092   0.8771   60.670   1.3560 -0.5779724 1.614950 
1 1 1    5   43    1 o   84.905   0.9296  6992.20  144.290  6969.06  176.384  7039.02  250.871   84.708   1.0727   85.103   1.5186 -0.3951874 1.859240 
1 1 1    5   43    2 o   75.662   0.8672  5553.52  118.871  5539.62  144.123  5583.11  210.226   75.526   0.9830   75.797   1.4288 -0.2714005 1.734304 
1 1 1    5   43    3 o   76.832   0.8904  5735.08  124.895  5735.25  152.604  5734.74  217.353   76.846   1.0230   76.817   1.4576 0.2857971E-01 1.780782 
1 1 1    5   43    4 o   31.733   0.9765  997.510   56.742  1039.36   70.333  919.502   96.030   32.712   1.1076   30.755   1.6085 1.956621 1.952993 
1 1 1    5   43    5 o   45.291   0.8329  1959.44   67.243  1910.91   80.017  2076.07  124.057   44.359   0.9292   46.222   1.3826 -1.862186 1.665895 
1 1 1    5   43    6 o   41.798   0.8720  1727.69   64.792  1775.44   77.961  1621.05  116.500   42.757   0.9393   40.839   1.4695 1.918018 1.744081 
1 1 1    5   43    7 o   50.253   0.8310  2452.43   76.255  2450.60   93.166  2456.14  132.725   50.233   0.9554   50.274   1.3600 -0.4098892E-01 1.662096 
1 1 1    5   43    8 o   87.189   0.9696  7425.57  155.563  7507.66  192.153  7269.44  265.009   87.910   1.1260   86.467   1.5789 1.443413 1.939257 
1 1 1    5   43    9 o   44.571   0.8680  1929.50   70.645  1927.86   86.314  1932.83  122.956   44.551   0.9981   44.591   1.4205 -0.4024887E-01 1.736060 
1 1 1    5   43   10 o   31.794   1.0503  1006.51   61.498  1064.82   77.061  904.250  102.056   33.103   1.1992   30.486   1.7246 2.617035 2.100540 
1 1 1    5   43   11 o   91.385   1.0112  8085.95  170.122  8011.61  209.180  8231.18  292.369   90.794   1.1869   91.975   1.6376 -1.181198 2.022424 
1 1 1    5   43   12 o   10.708   2.2461  113.358   58.799  184.814   73.332 -15.2900   98.395   13.493   2.8871   7.9241   3.4415 5.568655 4.492135 
1 1 1    5   43   13 o   77.013   0.9427  5779.86  134.157  5806.56  166.214  5729.95  227.242   77.293   1.1078   76.734   1.5256 0.5592804 1.885373 
1 1 1    5   43   14 o   35.552   1.0106  1232.23   68.407  1243.18   88.713  1216.17  107.437   35.755   1.2782   35.348   1.5657 0.4071198 2.021196 
1 1 1    5   43   15 o   30.473   1.1784  874.950   67.614  792.055   84.286  1024.59  113.244   28.523   1.5223   32.422   1.7993 -3.898499 2.356864 
1 1 1    5   43   16 o   26.904   1.2958  722.052   65.622  784.166   85.403  632.518  102.536   28.368   1.5509   25.439   2.0764 2.929684 2.591656 
1 1 1    5   43   17 o   25.053   1.3990  592.482   66.627  511.667   84.399  726.147  108.541   22.874   1.9008   27.233   2.0532 -4.358627 2.797979 
1 1 1    5   43   18 o   52.216   0.9225  2645.76   89.970  2614.60  112.508  2701.03  149.845   51.821   1.1184   52.611   1.4673 -0.7900314 1.844927 
1 1 1    5   43   19 o   31.287   1.1654  989.992   67.338  1081.34   85.635  842.003  108.998   33.287   1.3253   29.286   1.9173 4.000841 2.330737 
1 1 1    5   43   20 o   36.595   1.0520  1311.89   71.843  1315.00   90.065  1306.45  119.127   36.697   1.2643   36.492   1.6817 0.2042656 2.103943 
1 1 1    5   43   21 o   7.1878   2.2261 -11.4962   59.111  -0.8470   78.642 -25.3267   89.622   7.1966   3.1011   7.1789   3.1945 0.1763391E-01 4.452178 
1 1 1    5   43   22 o   10.573   2.5024  106.239   61.590   66.803   81.982  157.335   93.318   9.0278   3.4142   12.119   3.6593 -3.091285 5.004744 
1 1 1    5   43   23 o   24.908   1.5420  622.750   73.610  621.771   96.765  624.096  113.403   24.952   1.9978   24.865   2.3495 0.8698463E-01 3.084038 
1 1 1    5   43   24 o   22.465   1.7406  523.114   74.278  561.690   98.135  471.370  113.656   23.586   2.1434   21.345   2.7431 2.241386 3.481183 
1 1 1    5   43   25 o   10.371   2.7252  108.187   73.184  118.302   96.948   94.788  111.583   10.582   3.7587   10.161   3.9471 0.4205256 5.450466 
1 1 1    5   44    0 o   61.162   0.7875  3651.08   87.589  3684.28  106.867  3583.12  152.883   61.596   0.8938   60.728   1.2969 0.8679581 1.575039 
1 1 1    5   44    1 f   70.930   0.8556  4852.98  108.557  4799.75  129.950  4975.92  197.493   70.303   0.9522   71.557   1.4218 -1.254089 1.711208 
1 1 1    5   44    2 o   83.340   0.9392  6681.18  141.008  6570.62  169.547  6929.21  253.947   82.250   1.0619   84.431   1.5494 -2.181335 1.878414 
1 1 1    5   44    3 o   51.806   0.9396  2606.71   94.318  2590.24  129.319  2625.42  137.861   51.633   1.2902   51.979   1.3663 -0.3461952 1.879232 
1 1 1    5   44    4 o   14.154   2.0196  215.652   51.097  248.559   63.004  152.410   87.342   15.982   2.0309   12.326   3.4916 3.655998 4.039237 
1 1 1    5   44    5 o   84.374   1.0731  6907.88  175.351  6748.94  238.889  7093.55  258.203   83.327   1.4769   85.421   1.5571 -2.094040 2.146123 
1 1 1    5   44    6 o   88.895   0.9845  7683.40  159.816  7689.67  195.357  7670.70  277.887   88.970   1.1311   88.820   1.6117 0.1499634 1.969045 
1 1 1    5   44    7 o  113.252   1.1245 12522.14  235.441 12639.94  292.212 12304.15  397.502  114.047   1.3199  112.458   1.8209 1.588821 2.248973 
1 1 1    5   44    8 o   28.616   1.1090  782.426   58.531  753.556   71.670  840.242  101.424   27.845   1.3259   29.387   1.7779 -1.542290 2.217923 
1 1 1    5   44    9 o   52.312   0.8393  2646.22   81.274  2616.66  100.499  2702.08  138.170   51.901   0.9975   52.723   1.3500 -0.8222046 1.678585 
1 1 1    5   44   10 o   57.556   0.8496  3263.59   90.692  3377.07  113.770  3065.79  150.207   58.959   0.9941   56.152   1.3780 2.806854 1.699147 
1 1 1    5   44   11 o   18.732   1.6824  319.914   58.909  262.431   72.357  432.921  101.452   16.404   2.2723   21.059   2.4817 -4.655317 3.364882 
1 1 1    5   44   12 o   21.785   1.5243  445.641   62.884  388.939   79.016  543.593  103.854   19.972   2.0381   23.598   2.2672 -3.626150 3.048633 
1 1 1    5   44   13 o   38.785   0.9935  1495.76   71.517  1586.26   90.490  1345.18  116.728   40.397   1.1540   37.174   1.6176 3.222984 1.987035 
1 1 1    5   44   14 o   32.964   1.1152  1064.81   69.749  1092.07   90.253  1024.38  109.906   33.503   1.3878   32.425   1.7461 1.077869 2.230454 
1 1 1    5   44   15 o   75.011   0.9490  5515.69  131.938  5613.42  164.606  5340.08  220.655   75.978   1.1161   74.044   1.5352 1.934563 1.897997 
1 1 1    5   44   16 o   25.803   1.3304  654.389   64.088  664.562   80.657  636.966  105.553   26.102   1.5918   25.505   2.1320 0.5975628 2.660712 
1 1 1    5   44   17 o   23.385   1.7467  540.119   78.203  656.528  112.564  431.511  108.727   25.858   2.2426   20.912   2.6784 4.945807 3.493312 
1 1 1    5   44   18 o   38.842   1.0453  1503.96   75.180  1584.96   94.700  1365.90  123.638   40.325   1.2098   37.358   1.7049 2.967518 2.090536 
1 1 1    5   44   19 o   21.615   1.5722  444.718   64.186  394.961   80.330  532.584  106.748   20.027   2.0663   23.203   2.3700 -3.176256 3.144304 
1 1 1    5   44   20 o   36.245   1.0175  1287.61   70.030  1289.81   90.197  1284.27  111.119   36.319   1.2794   36.171   1.5826 0.1486740 2.035015 
1 1 1    5   44   21 o   31.001   1.1285  939.395   66.793  908.510   86.333  985.443  105.418   30.407   1.4627   31.594   1.7189 -1.187590 2.256955 
1 1 1    5   44   22 o   15.077   2.0677  236.029   59.269  205.385   82.023  269.513   85.738   13.872   3.1215   16.283   2.7126 -2.410844 4.135416 
1 1 1    5   44   23 o   12.805   2.2083  184.030   68.362  313.012   88.822  -3.4045  107.073   17.486   2.6168   8.1237   3.5579 9.362148 4.416553 
1 1 1    5   44   24 o   7.9926   2.4820  -1.3730   73.301   1.9689   95.846  -6.0817  113.771   7.7606   3.3833   8.2246   3.6324 -0.4639864 4.963997 
1 1 1    5   44   25 o   8.0139   2.3860 -31.8802   75.509  106.160  102.301 -197.0932  111.918   10.224   3.8250   5.8043   2.8532 4.419278 4.771947 
1 1 1    5   45    0 o   90.200   0.9816  7867.45  161.202  7795.14  196.012  8018.57  283.358   89.581   1.1272   90.818   1.6073 -1.236679 1.963162 
1 1 1    5   45    1 o   26.915   1.0535  703.297   47.212  702.522   54.252  705.714   95.837   26.894   1.0392   26.936   1.8329 -0.4127502E-01 2.107002 
1 1 1    5   45    2 o   32.763   0.9171  1060.85   51.699  1082.51   60.774  1004.12   98.344   33.387   0.9377   32.138   1.5764 1.248318 1.834198 
1 1 1    5   45    3 o   30.370   1.2164  892.710   71.278  860.397   94.999  934.331  107.817   29.747   1.6452   30.993   1.7921 -1.246536 2.432717 
1 1 1    5   45    4 o   33.233   0.9849  1085.76   59.096  1108.02   71.861  1039.27  103.865   33.774   1.0961   32.692   1.6367 1.081135 1.969790 
1 1 1    5   45    5 o   77.851   0.9113  5878.66  130.281  5856.25  159.972  5922.81  224.503   77.646   1.0614   78.056   1.4817 -0.4103928 1.822579 
1 1 1    5   45    6 o   85.449   0.9719  7088.72  152.003  7072.79  186.086  7120.66  263.501   85.325   1.1235   85.573   1.5863 -0.2484894 1.943849 
1 1 1    5   45    7 o   19.589   1.4989  365.728   54.293  348.667   66.545  399.697   93.897   18.929   1.8110   20.248   2.3889 -1.318802 2.997790 
1 1 1    5   45    8 o   46.922   0.8600  2141.09   74.739  2144.62   92.772  2134.57  126.159   46.986   1.0172   46.858   1.3870 0.1280174 1.719980 
1 1 1    5   45    9 o  100.986   1.0522  9964.12  196.927 10073.78  245.219  9764.96  330.476  101.804   1.2409  100.169   1.6996 1.635727 2.104360 
1 1 1    5   45   10 o   43.236   0.9165  1821.56   73.201  1831.50   90.676  1802.94  124.032   43.416   1.0759   43.055   1.4840 0.3608360 1.833008 
1 1 1    5   45   11 o   18.910   1.6652  332.813   59.621  274.468   75.005  432.954   98.264   16.767   2.3045   21.053   2.4045 -4.286076 3.330485 
1 1 1    5   45   12 o   88.648   1.0263  7630.77  168.808  7595.97  209.663  7694.90  284.626   88.392   1.2219   88.905   1.6492 -0.5129623 2.052583 
1 1 1    5   45   13 o   55.016   0.8854  2881.13   90.673  2735.38  111.939  3159.22  154.625   53.049   1.0870   56.983   1.3979 -3.934635 1.770791 
1 1 1    5   45   14 o   61.768   0.9056  3708.98  104.167  3702.11  130.038  3721.27  174.017   61.708   1.0856   61.827   1.4499 -0.1190567 1.811285 
1 1 1    5   45   15 o   24.000   1.4677  578.219   64.865  615.681   81.478  513.390  107.185   25.123   1.6708   22.878   2.4135 2.244213 2.935351 
1 1 1    5   45   16 f   20.612   1.7005  432.117   63.743  464.969   79.380  372.477  106.956   21.804   1.8755   19.420   2.8372 2.383856 3.401046 
1 1 1    5   45   17 o   62.804   0.9139  3794.01  105.652  3688.44  129.346  4005.64  183.140   61.550   1.0826   64.058   1.4728 -2.507454 1.827880 
1 1 1    5   45   18 o   44.544   0.9440  1924.38   78.230  1894.10   97.235  1979.96  131.726   44.085   1.1362   45.003   1.5079 -0.9179649 1.888041 
1 1 1    5   45   19 o   21.144   1.5807  425.199   63.360  365.952   79.780  526.394  104.266   19.245   2.1355   23.043   2.3310 -3.797474 3.161346 
1 1 1    5   45   20 o   11.550   2.3979  127.572   59.334   71.523   77.002  209.492   93.092   9.0953   3.3339   14.004   3.4475 -4.908894 4.795852 
1 1 1    5   45   21 o   7.9282   2.3710   15.664   61.991   14.320   80.597   17.610   97.001   7.5836   3.1989   8.2728   3.5005 -0.6892233 4.741971 
1 1 1    5   45   22 o   7.2420   2.2905 -35.4332   65.182 -66.6192   84.140   11.372  103.079   6.1778   2.8775   8.3062   3.5644 -2.128404 4.580905 
1 1 1    5   45   23 o   36.824   1.1429  1341.34   79.766  1324.88  102.086  1367.14  127.815   36.620   1.4361   37.027   1.7783 -0.4064941 2.285728 
1 1 1    5   45   24 o   11.040   2.7234  118.031   74.794   54.599   99.491  200.466  113.421   8.9531   3.6440   13.126   4.0483 -4.173383 5.446745 
1 1 1    5   45   25 f   9.3653   2.5469   47.118   77.024  163.083  104.756 -89.3564  113.643   11.827   3.9169   6.9041   3.2564 4.922471 5.093757 
1 1 1    5   46    0 o   42.151   0.7808  1713.64   58.199  1696.42   69.088  1755.69  108.002   41.797   0.8515   42.506   1.3089 -0.7094650 1.561536 
1 1 1    5   46    1 o   38.080   0.8639  1371.97   55.138  1337.32   63.197  1482.44  112.837   37.109   0.8773   39.052   1.4885 -1.942112 1.727789 
1 1 1    5   46    2 o   40.045   0.8359  1531.88   58.546  1499.03   68.797  1618.11  111.480   39.288   0.9021   40.802   1.4075 -1.513905 1.671758 
1 1 1    5   46    3 o   30.476   1.1680  906.187   68.840  947.592   94.792  859.980  100.138   31.218   1.5642   29.734   1.7349 1.484196 2.335954 
1 1 1    5   46    4 o  120.843   1.1699 14161.94  259.849 14077.62  319.209 14327.57  447.393  120.350   1.3664  121.336   1.8995 -0.9854660 2.339867 
1 1 1    5   46    5 o   83.759   0.9575  6847.54  148.031  6912.92  183.391  6725.28  250.774   84.354   1.1200   83.164   1.5534 1.189697 1.915044 
1 1 1    5   46    6 o   8.8101   2.3741   54.371   54.295   64.507   65.592   32.310   96.769   8.7282   3.0926   8.8919   3.6030 -0.1637049 4.748280 
1 1 1    5   46    7 o   70.788   0.8808  4841.72  114.394  4783.92  140.063  4957.52  198.253   70.173   1.0282   71.403   1.4303 -1.230225 1.761566 
1 1 1    5   46    8 o   24.991   1.2939  607.825   60.303  607.226   75.441  608.887  100.357   24.984   1.5555   24.997   2.0682 -0.1249123E-01 2.587898 
1 1 1    5   46    9 o   39.073   0.9591  1501.15   68.816  1538.02   85.127  1431.62  116.904   39.784   1.1023   38.361   1.5699 1.423527 1.918237 
1 1 1    5   46   10 o   35.831   1.0284  1267.48   67.894  1310.68   84.517  1188.89  114.003   36.719   1.1857   34.944   1.6807 1.775291 2.056848 
1 1 1    5   46   11 o   40.999   0.9548  1615.78   73.254  1565.94   91.431  1705.14  122.418   40.136   1.1735   41.861   1.5065 -1.725090 1.909622 
1 1 1    5   46   12 o   33.459   1.0526  1079.68   66.503  1048.61   84.184  1131.26  108.463   32.834   1.3208   34.084   1.6393 -1.249741 2.105211 
1 1 1    5   46   13 o   29.960   1.1819  861.192   66.203  827.114   82.383  923.317  111.234   29.150   1.4559   30.770   1.8623 -1.620249 2.363858 
1 1 1    5   46   14 f   25.008   1.4516  641.902   66.415  730.587   84.956  502.520  106.505   27.376   1.5987   22.641   2.4233 4.735376 2.903153 
1 1 1    5   46   15 o   29.324   1.2299  828.832   67.683  798.302   84.726  882.676  112.517   28.609   1.5256   30.039   1.9296 -1.430136 2.459821 
1 1 1    5   46   16 o   21.008   1.6695  418.895   66.862  346.863   85.608  531.556  107.063   18.776   2.3488   23.241   2.3732 -4.464174 3.338962 
1 1 1    5   46   17 o   10.623   2.6193   97.262   64.516   76.060   80.679  134.867  107.446   9.4461   3.4201   11.800   3.9681 -2.353583 5.238636 
1 1 1    5   46   18 o   24.006   1.4079  570.148   63.320  578.776   80.095  555.769  103.401   24.295   1.6983   23.717   2.2459 0.5778885 2.815759 
1 1 1    5   46   19 f   32.106   1.0948  983.575   66.375  898.730   83.234  1131.77  110.004   30.287   1.4157   33.925   1.6704 -3.638363 2.189652 
1 1 1    5   46   20 o   48.782   0.8884  2333.21   81.421  2339.11  103.036  2323.41  132.863   48.921   1.0850   48.642   1.4071 0.2790222 1.776827 
1 1 1    5   46   21 o   31.319   1.4485  998.498   85.585  870.503  132.311  1090.58  112.225   29.441   2.3151   33.196   1.7416 -3.754778 2.897031 
1 1 1    5   46   22 o   32.708   1.1742  1067.99   72.191  1090.02   91.934  1032.56  116.591   33.244   1.4246   32.172   1.8669 1.071621 2.348384 
1 1 1    5   46   23 o   11.558   2.6218  146.241   66.953  124.186   92.548  170.460   96.979   10.798   3.6825   12.318   3.7329 -1.519768 5.243592 
1 1 1    5   46   24 o   10.763   2.6518  119.511   74.179  189.872  100.486   35.256  109.961   12.775   3.7837   8.7516   3.7164 4.023750 5.303596 
1 1 1    5   47    0 o   52.868   0.8188  2704.47   75.747  2690.07   89.375  2741.19  142.716   52.631   0.8748   53.106   1.3844 -0.4749413 1.637645 
1 1 1    5   47    1 o   48.188   0.8070  2283.34   69.303  2326.60   83.355  2186.50  124.722   48.946   0.8773   47.431   1.3546 1.515438 1.613902 
1 1 1    5   47    2 o   15.878   2.0178  316.690   49.269  377.567   57.196  141.601   97.000   19.706   1.4952   12.050   3.7483 7.656244 4.035528 
1 1 1    5   47    3 o   42.527   0.8170  1777.54   63.057  1816.14   77.052  1699.25  109.725   43.243   0.9179   41.812   1.3519 1.430798 1.634057 
1 1 1    5   47    4 o   50.647   0.8736  2504.30   81.010  2527.98   99.508  2457.75  139.500   51.014   1.0049   50.279   1.4293 0.7346764 1.747161 
1 1 1    5   47    5 o   34.940   0.9810  1169.92   63.409  1132.84   77.991  1242.23  108.909   34.143   1.1767   35.737   1.5699 -1.593651 1.961990 
1 1 1    5   47    6 o   27.014   1.2011  715.851   59.814  728.704   74.172  691.948  101.149   27.376   1.3958   26.653   1.9550 0.7225742 2.402136 
1 1 1    5   47    7 o   62.151   0.8787  3766.51  100.794  3793.89  124.796  3715.15  170.945   62.490   1.0288   61.811   1.4247 0.6794853 1.757326 
1 1 1    5   47    8 o  101.028   1.0690  9906.43  198.316  9860.25  243.472  9997.47  341.853  100.715   1.2453  101.341   1.7378 -0.6253815 2.137920 
1 1 1    5   47    9 o   11.005   2.4329  120.432   57.837  140.125   72.299   85.428   96.389   11.745   3.1187   10.265   3.7350 1.479877 4.865861 
1 1 1    5   47   10 o   7.7974   2.3292 -14.5088   60.035 -51.9941   75.095   51.878   99.936   6.1289   2.8056   9.4660   3.7188 -3.337026 4.658415 
1 1 1    5   47   11 o   84.594   0.9837  6937.40  153.922  6881.30  190.314  7043.49  261.722   84.131   1.1653   85.057   1.5851 -0.9259491 1.967384 
1 1 1    5   47   12 o   18.601   1.9986  366.466   65.303  425.601   83.309  272.225  105.169   20.881   2.0553   16.322   3.4283 4.558691 3.997238 
1 1 1    5   47   13 o   74.314   0.9400  5290.74  128.448  5119.67  156.911  5638.25  223.639   72.554   1.1141   76.075   1.5144 -3.520470 1.880072 
1 1 1    5   47   14 o   20.167   1.7042  404.593   64.361  420.665   81.922  378.678  104.026   20.731   2.0357   19.603   2.7337 1.127663 3.408366 
1 1 1    5   47   15 o   9.8163   2.5423   65.566   62.437   31.850   77.860  126.308  104.506   8.0774   3.2463   11.555   3.9133 -3.477655 5.084538 
1 1 1    5   47   16 o   29.935   1.2570  878.889   68.239  881.236   82.954  873.976  120.013   30.045   1.4223   29.825   2.0729 0.2204285 2.513985 
1 1 1    5   47   17 o   44.389   0.9585  1950.71   78.356  2012.55   97.451  1837.63  131.788   45.444   1.1047   43.335   1.5666 2.108425 1.916960 
1 1 1    5   47   18 o   16.852   1.9710  272.404   61.291  204.287   77.346  387.371  100.483   14.012   2.9375   19.692   2.6287 -5.680008 3.941907 
1 1 1    5   47   19 o   18.548   1.8607  364.633   61.428  406.203   78.318  298.177   99.024   20.243   1.9931   16.853   3.1426 3.390297 3.721301 
1 1 1    5   47   20 f   20.960   1.5752  434.735   63.067  413.615   81.395  466.464   99.763   20.376   2.0578   21.544   2.3855 -1.167633 3.150439 
1 1 1    5   47   21 o   22.761   1.5144  524.569   65.363  545.603   84.992  494.121  102.260   23.413   1.8701   22.110   2.3826 1.302694 3.028868 
1 1 1    5   47   22 o   8.7772   2.4597  -4.4103   70.268 -105.3288   90.953  145.008  110.672   5.9269   2.8292   11.627   4.0246 -5.700610 4.919487 
1 1 1    5   47   23 o   24.302   1.6259  607.357   74.632  619.898   95.920  588.117  118.807   24.776   1.9944   23.829   2.5684 0.9466820 3.251857 
1 1 1    5   47   24 o   12.195   2.7235  174.357   72.237  162.044  101.427  187.033  102.906   11.802   3.8516   12.588   3.8518 -0.7856150 5.447093 
1 1 1    5   48    0 o   15.803   1.8672  237.914   50.325  225.447   58.911  271.578   96.804   15.216   1.9945   16.389   3.1573 -1.173555 3.734494 
1 1 1    5   48    1 o   60.493   0.8325  3495.62   89.552  3409.23  106.378  3705.77  165.915   59.245   0.9250   61.741   1.3843 -2.495541 1.664932 
1 1 1    5   48    2 o   78.847   0.9178  6033.20  131.540  6015.47  159.938  6070.26  231.242   78.689   1.0471   79.006   1.5078 -0.3173294 1.835699 
1 1 1    5   48    3 o   72.268   0.8913  5133.12  117.457  5247.19  144.189  4908.10  202.508   73.493   1.0107   71.042   1.4685 2.450745 1.782655 
1 1 1    5   48    4 o   75.604   0.9024  5583.13  125.982  5644.64  156.211  5468.68  213.075   76.221   1.0558   74.988   1.4638 1.233414 1.804807 
1 1 1    5   48    5 o   54.221   0.8679  2834.37   86.066  2789.89  104.949  2925.72  150.401   53.588   1.0089   54.853   1.4125 -1.264187 1.735797 
1 1 1    5   48    6 o   83.959   0.9678  6804.20  149.190  6703.39  182.688  7006.03  258.493   83.055   1.1331   84.863   1.5692 -1.807289 1.935519 
1 1 1    5   48    7 o   80.168   1.0898  6249.42  169.406  6170.92  233.445  6336.75  246.217   79.640   1.5100   80.695   1.5718 -1.054886 2.179645 
1 1 1    5   48    8 o   10.848   2.2716  117.336   58.706  184.806   74.237   4.7180   95.911   13.478   2.9216   8.2170   3.4791 5.261395 4.543118 
1 1 1    5   48    9 o   30.415   1.1134  892.669   63.407  871.981   79.332  929.261  105.505   29.942   1.3649   30.888   1.7596 -0.9464455 2.226897 
1 1 1    5   48   10 o   59.773   0.8780  3425.55   96.424  3327.96  117.786  3623.84  167.893   58.517   1.0369   61.028   1.4172 -2.511059 1.756045 
1 1 1    5   48   11 f   61.125   0.8831  3642.09  100.153  3661.74  124.699  3606.38  168.108   61.377   1.0466   60.873   1.4226 0.5038757 1.766172 
1 1 1    5   48   12 o   42.592   0.9338  1755.32   74.792  1724.77   94.302  1807.11  122.797   42.110   1.1536   43.075   1.4686 -0.9648895 1.867523 
1 1 1    5   48   13 o   39.099   1.0459  1514.63   75.622  1575.82   94.707  1406.98  125.616   40.235   1.2126   37.964   1.7045 2.270592 2.091846 
1 1 1    5   48   14 o   25.900   1.3511  660.613   65.381  672.247   82.419  640.864  107.383   26.239   1.6181   25.560   2.1643 0.6796150 2.702299 
1 1 1    5   48   15 o   22.481   1.6516  513.716   66.880  544.896   82.197  452.635  115.045   23.590   1.7950   21.372   2.7731 2.218592 3.303280 
1 1 1    5   48   16 o   18.532   1.7165  321.503   59.664  273.567   73.664  412.923  101.728   16.651   2.2790   20.412   2.5673 -3.761278 3.432947 
1 1 1    5   48   17 o   35.568   1.0402  1274.76   68.829  1392.66   88.304  1092.23  109.871   37.775   1.2042   33.362   1.6965 4.412586 2.080501 
1 1 1    5   48   18 o   25.022   1.3332  612.838   62.916  595.378   79.529  642.045  102.857   24.598   1.6656   25.446   2.0823 -0.8483601 2.666486 
1 1 1    5   48   19 o   29.634   1.2114  865.316   66.562  859.763   82.630  875.581  112.332   29.576   1.4393   29.692   1.9490 -0.1161270 2.422792 
1 1 1    5   48   20 o   18.212   1.8519  328.558   64.199  297.922   81.725  377.931  103.748   17.180   2.4506   19.244   2.7772 -2.064798 3.703875 
1 1 1    5   48   21 o   23.075   1.5379  515.637   67.514  414.285   86.391  674.645  108.209   20.268   2.1958   25.882   2.1537 -5.614630 3.075750 
1 1 1    5   48   22 o   29.587   1.3257  870.477   73.999  847.689   93.691  908.265  120.649   29.181   1.6540   29.993   2.0723 -0.8116989 2.651399 
1 1 1    5   48   23 o   12.407   2.7184  179.481   72.069  187.875   94.508  167.817  111.404   12.764   3.6377   12.050   4.0406 0.7140751 5.436845 
1 1 1    5   49    0 o   30.875   1.0888  949.098   57.275  974.214   67.073  881.473  110.061   31.664   1.0912   30.086   1.8845 1.578020 2.177654 
1 1 1    5   49    1 o   59.555   0.8562  3474.40   91.146  3518.08  109.691  3376.99  163.821   60.181   0.9390   58.929   1.4321 1.251282 1.712478 
1 1 1    5   49    2 o   58.100   0.8401  3293.84   87.272  3314.76  104.884  3246.76  157.343   58.417   0.9249   57.784   1.4027 0.6321068 1.680214 
1 1 1    5   49    3 o   32.187   1.0753  1017.38   59.878  1029.38   70.458  986.195  113.613   32.548   1.1152   31.826   1.8390 0.7212505 2.150677 
1 1 1    5   49    4 o   54.899   0.8599  2915.14   86.164  2887.94  105.015  2971.15  150.725   54.522   0.9922   55.276   1.4047 -0.7540169 1.719793 
1 1 1    5   49    5 o   15.804   2.1256  248.319   59.573  246.430   72.088  252.386  105.792   15.889   2.3372   15.718   3.5510 0.1711445 4.251162 
1 1 1    5   49    6 o   25.979   1.3583  668.432   64.470  690.991   79.560  625.292  110.021   26.647   1.5381   25.311   2.2393 1.335976 2.716639 
1 1 1    5   49    7 o   82.683   0.9755  6601.70  147.306  6510.60  179.448  6789.92  257.936   81.844   1.1295   83.522   1.5909 -1.678833 1.951095 
1 1 1    5   49    8 o   50.094   0.8815  2438.09   82.616  2433.03  103.771  2446.87  136.528   50.035   1.0684   50.153   1.4024 -0.1183891 1.762983 
1 1 1    5   49    9 o   49.818   0.8802  2400.31   81.417  2369.04  101.001  2458.34  137.583   49.370   1.0539   50.265   1.4101 -0.8943405 1.760378 
1 1 1    5   49   10 o  111.298   1.1780 12058.49  242.556 12035.46  300.447 12101.60  411.031  111.209   1.3918  111.387   1.9010 -0.1780777 2.355981 
1 1 1    5   49   11 o   52.604   0.8820  2724.31   86.871  2820.50  110.346  2567.52  140.882   53.859   1.0554   51.350   1.4133 2.508541 1.763948 
1 1 1    5   49   12 o   33.960   1.0600  1133.24   67.773  1162.77   86.572  1086.49  108.925   34.556   1.2906   33.365   1.6818 1.190792 2.119926 
1 1 1    5   49   13 o   14.570   2.3737  206.625   63.854  170.102   79.211  274.409  107.911   12.845   3.1910   16.295   3.5149 -3.449575 4.747303 
1 1 1    5   49   14 o   14.480   2.4606  216.433   65.882  214.538   81.357  220.042  112.287   14.443   2.9999   14.517   3.9010 -0.7406235E-01 4.921111 
1 1 1    5   49   15 o   29.854   1.2468  875.544   69.618  881.546   87.638  865.278  114.615   30.032   1.5033   29.676   1.9896 0.3560600 2.493686 
1 1 1    5   49   16 o   6.2881   2.0282 -70.0198   59.499   1.6321   73.866 -202.4035  100.403   7.0917   3.0295   5.4846   2.6974 1.607075 4.056324 
1 1 1    5   49   17 o   8.9313   2.4554   56.473   60.502   62.752   78.249   47.139   95.403   8.8795   3.3407   8.9831   3.5994 -0.1035137 4.910784 
1 1 1    5   49   18 o   33.326   1.1031  1085.12   69.369  1060.39   87.858  1126.07  113.037   32.876   1.3767   33.776   1.7241 -0.9001541 2.206280 
1 1 1    5   49   19 o   16.250   2.0644  286.275   61.380  349.156   82.153  206.819   92.348   18.668   2.2671   13.832   3.4508 4.836220 4.128877 
1 1 1    5   49   20 o   27.325   1.3177  733.774   67.320  707.927   83.921  780.432  112.752   26.745   1.6164   27.905   2.0815 -1.159466 2.635459 
1 1 1    5   49   21 o   54.385   0.9278  2919.93   95.272  2939.02  121.666  2889.67  153.185   54.712   1.1456   54.058   1.4598 0.6539879 1.855624 
1 1 1    5   49   22 o   24.550   1.6091  626.162   74.702  673.185   97.931  560.724  115.525   25.834   1.9528   23.266   2.5580 2.568617 3.218171 
1 1 1    5   49   23 o   15.876   2.4912  280.155   74.070  228.551   95.695  357.277  116.986   14.071   3.5140   17.680   3.5322 -3.609170 4.982409 
1 1 1    5   50    0 o   40.677   0.9385  1680.35   65.026  1767.77   76.697  1456.88  122.628   42.660   0.9262   38.693   1.6326 3.966053 1.877044 
1 1 1    5   50    1 o   47.281   0.8343  2136.53   71.518  2074.45   86.227  2273.37  128.026   46.210   0.9613   48.353   1.3640 -2.142689 1.668674 
1 1 1    5   50    2 o   29.942   1.1994  929.052   59.372  988.692   69.264  763.830  115.285   31.896   1.1187   27.988   2.1219 3.907505 2.398763 
1 1 1    5   50    3 o   67.382   0.8727  4427.91  106.761  4453.33  129.954  4375.15  187.244   67.701   0.9888   67.064   1.4383 0.6367493 1.745445 
1 1 1    5   50    4 o   91.245   0.9658  8080.00  148.304  8062.11  171.268  8133.62  296.497   91.091   0.9686   91.399   1.6711 -0.3075027 1.931546 
1 1 1    5   50    5 o   33.365   1.0614  1110.91   65.784  1192.17   83.667  979.335  106.465   35.017   1.2308   31.712   1.7295 3.305441 2.122756 
1 1 1    5   50    6 o   45.520   0.9004  1987.71   75.617  1930.51   92.778  2100.88  130.505   44.570   1.0724   46.470   1.4467 -1.900372 1.800835 
1 1 1    5   50    7 o   13.848   2.3072  207.215   61.786  251.541   76.981  126.966  103.579   16.040   2.4724   11.655   3.8962 4.384512 4.614443 
1 1 1    5   50    8 o   81.313   0.9577  6455.57  143.686  6507.74  177.884  6357.64  243.732   81.818   1.1200   80.809   1.5538 1.009010 1.915370 
1 1 1    5   50    9 o   74.833   0.9432  5386.15  129.147  5265.51  157.312  5635.53  226.181   73.592   1.1012   76.074   1.5316 -2.481377 1.886413 
1 1 1    5   50   10 o   51.681   0.9005  2572.82   86.407  2510.88  106.920  2689.44  146.708   50.813   1.0840   52.550   1.4382 -1.737038 1.800944 
1 1 1    5   50   11 o   27.964   1.2397  762.647   65.727  759.133   84.259  768.108  105.043   27.900   1.5558   28.028   1.9307 -0.1283836 2.479492 
1 1 1    5   50   12 o   14.230   2.3444  188.453   62.345  130.705   76.726  300.691  106.965   11.346   3.2911   17.114   3.3396 -5.768203 4.688790 
1 1 1    5   50   13 o   33.133   1.1186  1057.53   68.460  1025.56   84.098  1120.33  117.875   32.431   1.3358   33.834   1.7947 -1.403084 2.237296 
1 1 1    5   50   14 o   15.571   2.2569  249.042   64.140  253.723   79.554  240.346  108.421   16.009   2.5599   15.132   3.7178 0.8773384 4.513837 
1 1 1    5   50   15 o   21.881   1.5285  453.662   63.090  399.014   78.726  551.760  105.477   20.135   2.0142   23.628   2.2997 -3.492666 3.057081 
1 1 1    5   50   16 o   6.4104   2.0647 -50.5655   57.846 -11.5346   74.364 -110.3677   92.049   6.7924   2.9702   6.0283   2.8689 0.7640777 4.129478 
1 1 1    5   50   17 f   21.833   1.5278  479.714   62.846  499.579   80.825  449.340   99.943   22.482   1.8520   21.184   2.4304 1.297812 3.055611 
1 1 1    5   50   18 o   32.056   1.1537  1023.09   69.972  1058.68   90.398  969.898  110.518   32.821   1.4189   31.290   1.8195 1.531118 2.307347 
1 1 1    5   50   19 o   25.048   1.7705  622.340   86.087  622.340   86.087   0.0000   0.0000   25.048   1.7705  ?   ?       ?      ? 
1 1 1    5   50   20 o   34.492   1.1702  1207.77   75.254  1293.46   96.241  1072.93  120.724   36.224   1.3687   32.760   1.8984 3.464050 2.340342 
1 1 1    5   50   21 o   37.477   1.1209  1385.41   79.034  1353.74   99.674  1439.02  129.708   37.007   1.3875   37.946   1.7609 -0.9388657 2.241853 
1 1 1    5   50   22 o   22.577   1.7466  547.660   73.324  634.858   96.948  431.118  112.080   25.008   1.9971   20.145   2.8661 4.862711 3.493237 
1 1 1    5   51    0 o   47.908   0.8588  2196.44   73.328  2145.23   87.284  2319.28  135.187   46.989   0.9569   48.827   1.4263 -1.838184 1.717565 
1 1 1    5   51    1 o   30.555   1.1375  884.456   59.648  858.059   69.161  961.099  117.848   29.709   1.1992   31.402   1.9333 -1.692558 2.275072 
1 1 1    5   51    2 o   14.664   2.1413  209.096   55.113  194.553   65.808  243.253  100.855   13.896   2.5330   15.431   3.4532 -1.535171 4.282562 
1 1 1    5   51    3 o  106.035   1.1399 10959.31  222.901 10992.81  275.450 10895.74  379.405  106.318   1.3347  105.751   1.8482 0.5665588 2.279740 
1 1 1    5   51    4 o  116.658   1.1576 13310.12  230.008 13377.45  267.800 13120.79  449.082  117.308   1.1760  116.007   1.9942 1.300903 2.315160 
1 1 1    5   51    5 o   25.630   1.3040  669.684   61.726  774.268   80.300  518.632   96.505   28.208   1.4665   23.052   2.1566 5.155834 2.607983 
1 1 1    5   51    6 f   96.225   1.0655  8944.35  187.070  8815.44  227.669  9212.26  328.216   95.212   1.2318   97.239   1.7388 -2.027489 2.130933 
1 1 1    5   51    7 o   19.188   1.7454  365.903   61.833  379.821   77.269  341.120  103.107   19.729   2.0176   18.647   2.8485 1.081972 3.490709 
1 1 1    5   51    8 o   71.143   0.9170  4965.49  120.875  5065.64  150.842  4785.78  202.059   72.182   1.0765   70.105   1.4848 2.076416 1.833989 
1 1 1    5   51    9 o   44.294   0.9610  1940.26   79.710  2034.63  101.682  1789.82  128.386   45.733   1.1454   42.854   1.5433 2.878971 1.921908 
1 1 1    5   51   10 o   8.2062   2.4071   12.779   60.760  -6.0428   75.581   47.168  102.161   7.0465   3.0383   9.3660   3.7343 -2.319589 4.814133 
1 1 1    5   51   11 o   34.473   1.0392  1121.89   66.799  1034.68   82.281  1290.50  114.405   32.589   1.3007   36.357   1.6210 -3.768627 2.078341 
1 1 1    5   51   12 o   64.338   0.9348  4067.16  111.340  4143.72  138.774  3928.83  186.531   65.239   1.0958   63.436   1.5148 1.802967 1.869586 
1 1 1    5   51   13 o   42.645   0.9573  1759.15   75.821  1722.08   93.932  1828.49  128.447   42.038   1.1511   43.252   1.5299 -1.213741 1.914528 
1 1 1    5   51   14 o   12.561   2.4859  157.243   60.273  141.569   73.670  188.976  104.824   11.684   3.1683   13.438   3.8315 -1.753649 4.971770 
1 1 1    5   51   15 o   23.412   1.5037  542.224   63.996  542.858   77.974  540.917  112.013   23.509   1.7087   23.315   2.4749 0.1935577 3.007449 
1 1 1    5   51   16 o   28.800   1.2127  845.126   64.503  927.684   82.229  713.057  104.003   30.767   1.3768   26.833   1.9967 3.934444 2.425356 
1 1 1    5   51   17 o   30.427   1.1894  938.506   66.961  1007.15   84.855  825.216  109.013   32.030   1.3648   28.824   1.9483 3.205805 2.378750 
1 1 1    5   51   18 f   35.709   1.0586  1274.22   71.360  1345.68   92.431  1168.79  112.275   37.035   1.2857   34.384   1.6821 2.650982 2.117233 
1 1 1    5   51   19 o   37.855   1.0158  1399.39   72.938  1349.76   92.974  1478.82  117.615   37.048   1.2928   38.661   1.5672 -1.612946 2.031600 
1 1 1    5   51   20 o   24.204   1.5326  567.314   70.273  479.122   88.372  718.996  115.895   21.791   2.0891   26.617   2.2430 -4.826077 3.065223 
1 1 1    5   51   21 o   21.896   1.6835  490.447   70.713  475.180   92.610  511.794  109.507   21.575   2.2113   22.217   2.5391 -0.6423492 3.367017 
1 1 1    5   51   22 o   26.271   1.5276  683.063   76.112  596.456   95.938  830.153  125.028   24.179   2.0440   28.364   2.2708 -4.184998 3.055233 
1 1 1    5   52    0 o   55.895   5.7580  4217.05  125.029  4244.79  125.986  2412.20  1016.34   66.095   0.9819   45.695   11.474 20.40005 11.51610 
1 1 1    5   52    1 o  104.704   1.1526 10640.26  219.969 10577.38  267.990 10770.11  385.099  104.287   1.3238  105.122   1.8872 -0.8353882 2.305194 
1 1 1    5   52    2 o   47.723   0.8981  2152.49   75.391  2072.63   88.624  2361.64  143.417   46.184   0.9885   49.261   1.4998 -3.077541 1.796266 
1 1 1    5   52    3 o   28.760   1.1872  782.921   60.539  751.938   71.534  861.113  113.641   27.804   1.3254   29.715   1.9701 -1.911436 2.374436 
1 1 1    5   52    4 o   27.451   1.1256  688.923   52.080  647.615   59.440  825.413  108.047   25.808   1.1865   29.094   1.9131 -3.286543 2.251148 
1 1 1    5   52    5 o   31.470   1.1633  959.674   67.430  948.953   82.924  980.598  115.847   31.230   1.3679   31.711   1.8820 -0.4813957 2.326559 
1 1 1    5   52    6 o   20.711   1.6635  436.209   61.498  466.387   75.186  375.207  106.898   21.872   1.7709   19.551   2.8166 2.320736 3.327079 
1 1 1    5   52    7 o   66.360   0.9075  4305.25  111.971  4355.93  140.009  4215.31  186.511   66.930   1.0776   65.790   1.4604 1.140228 1.814982 
1 1 1    5   52    8 o   37.795   0.9874  1384.26   69.448  1366.59   86.400  1416.52  116.738   37.475   1.1877   38.115   1.5778 -0.6407890 1.974856 
1 1 1    5   52    9 o   9.0381   2.4090   58.038   60.080   94.851   73.880 -13.8440  103.237   9.9793   3.2887   8.0970   3.5209 1.882275 4.817911 
1 1 1    5   52   10 o   28.846   1.2724  850.148   66.371  931.310   82.721  703.480  111.201   30.909   1.3787   26.783   2.1389 4.126760 2.544722 
1 1 1    5   52   11 o   17.235   2.0385  265.967   63.245  191.935   76.259  429.082  113.195   13.655   2.9621   20.815   2.8015 -7.159415 4.077083 
1 1 1    5   52   12 o   35.961   1.0894  1269.86   71.795  1281.85   88.296  1246.45  123.337   36.256   1.2546   35.667   1.7814 0.5892868 2.178854 
1 1 1    5   52   13 o   19.145   1.7843  352.950   64.037  325.867   79.498  402.993  108.065   18.170   2.2540   20.121   2.7668 -1.951056 3.568695 
1 1 1    5   52   14 o   29.094   1.2474  834.164   66.791  839.499   82.467  823.991  113.869   29.287   1.4506   28.901   2.0297 0.3865929 2.494759 
1 1 1    5   52   15 o   44.070   0.9656  1889.16   78.648  1859.57   97.016  1945.89  134.325   43.630   1.1455   44.510   1.5547 -0.8801651 1.931103 
1 1 1    5   52   16 o   27.211   1.2712  713.258   64.999  660.713   81.017  808.169  108.886   25.892   1.6119   28.530   1.9661 -2.638290 2.542415 
1 1 1    5   52   17 o   13.137   2.1984  200.720   62.997  298.371   80.543   46.842  101.106   17.220   2.4095   9.0535   3.6778 8.166724 4.396828 
1 1 1    5   52   18 o   15.743   2.1570  243.003   63.145  178.847   78.783  358.263  105.597   12.859   3.1752   18.627   2.9204 -5.768343 4.313967 
1 1 1    5   52   19 f   15.717   2.2702  256.266   65.514  211.200   82.557  332.918  107.668   13.934   3.1287   17.500   3.2902 -3.565563 4.540317 
1 1 1    5   52   20 o   18.530   1.9532  357.301   68.734  352.677   88.440  364.355  109.226   18.514   2.4608   18.547   3.0339 -0.3274155E-01 3.906408 
1 1 1    5   52   21 o   9.2607   2.5959   73.205   68.447   80.699   86.568   60.706  111.798   9.2382   3.5049   9.2832   3.8301 -0.4503632E-01 5.191722 
1 1 1    5   53    0 o   57.575   0.9524  3221.13  106.448  3221.13  106.448   0.0000   0.0000   57.575   0.9524  ?   ?       ?      ? 
1 1 1    5   53    1 o   24.337   1.5313  636.374   60.636  698.701   71.035  469.003  116.405   26.798   1.3655   21.875   2.7413 4.922604 3.062567 
1 1 1    5   53    2 o   52.790   0.8997  2704.32   84.888  2694.46  101.739  2726.93  154.003   52.654   0.9954   52.926   1.4990 -0.2721710 1.799366 
1 1 1    5   53    3 o   61.164   0.8671  3632.63   96.856  3621.12  118.292  3656.05  168.709   61.039   0.9984   61.290   1.4180 -0.2508965 1.734226 
1 1 1    5   53    4 o   23.023   1.3211  469.082   51.167  426.841   58.050  616.213  108.337   20.940   1.4281   25.106   2.2230 -4.166649 2.642181 
1 1 1    5   53    5 o   19.873   1.5701  366.565   51.380  350.244   58.186  424.349  109.482   18.959   1.5810   20.788   2.7131 -1.829443 3.140172 
1 1 1    5   53    6 o   36.134   0.9988  1279.42   67.113  1299.08   84.014  1244.75  111.568   36.539   1.1845   35.730   1.6086 0.8097153 1.997639 
1 1 1    5   53    7 o   5.9603   1.9982 -101.2680   59.045 -116.2370   74.551 -76.0753   96.715   5.1426   2.4823   6.7781   3.1321 -1.635496 3.996455 
1 1 1    5   53    8 o   50.846   0.9077  2537.94   84.709  2580.59  104.526  2456.32  144.588   51.503   1.0455   50.188   1.4841 1.314869 1.815390 
1 1 1    5   53    9 o   22.058   1.5576  472.194   62.790  461.791   76.433  493.786  110.118   21.729   1.8121   22.387   2.5340 -0.6581001 3.115256 
1 1 1    5   53   10 o   8.4891   2.4552   29.907   62.235   30.813   77.746   28.291  103.841   8.0316   3.2382   8.9466   3.6912 -0.9149704 4.910337 
1 1 1    5   53   11 o   23.292   1.5501  531.309   65.448  526.097   79.306  542.439  115.885   23.173   1.7631   23.411   2.5500 -0.2380848 3.100152 
1 1 1    5   53   12 o   23.529   1.4479  527.918   63.169  490.948   77.368  601.850  109.408   22.372   1.7815   24.687   2.2831 -2.315001 2.895886 
1 1 1    5   53   13 f   39.115   0.9822  1507.65   70.850  1533.82   87.901  1459.12  119.705   39.651   1.1420   38.579   1.5984 1.071873 1.964462 
1 1 1    5   53   14 o   27.543   1.3569  784.699   67.681  868.274   84.860  638.604  112.197   29.754   1.4692   25.332   2.2816 4.421736 2.713752 
1 1 1    5   53   15 o   30.324   1.1558  906.640   66.277  908.110   84.749  904.326  106.344   30.408   1.4357   30.240   1.8116 0.1680965 2.311554 
1 1 1    5   53   16 o   28.822   1.2395  821.786   66.928  821.991   84.342  821.437  109.984   28.898   1.5035   28.745   1.9710 0.1530533 2.479013 
1 1 1    5   53   17 o   27.093   1.3054  716.365   67.142  669.178   85.286  793.283  108.887   25.993   1.6903   28.192   1.9897 -2.199203 2.610702 
1 1 1    5   53   18 o   15.233   2.1796  252.276   61.970  274.588   80.623  220.063   96.874   16.387   2.5346   14.079   3.5465 2.308034 4.359106 
1 1 1    5   53   19 o   20.704   1.7941  446.873   69.217  464.049   87.757  418.599  112.598   21.420   2.1106   19.988   2.9019 1.431908 3.588279 
1 1 1    5   53   20 o   12.732   2.6184  165.303   68.882  101.885   85.437  283.084  116.434   9.9035   3.5274   15.561   3.8706 -5.657181 5.236813 
1 1 1    5   54    0 o   66.174   1.0051  4256.73  129.109  4256.73  129.109   0.0000   0.0000   66.174   1.0051  ?   ?       ?      ? 
1 1 1    5   54    1 o   42.666   0.9274  1756.46   69.117  1737.27   81.356  1806.25  131.032   42.275   0.9914   43.057   1.5677 -0.7819786 1.854870 
1 1 1    5   54    2 o   31.323   1.0854  950.092   60.873  940.961   72.960  971.010  110.428   31.100   1.2085   31.547   1.8032 -0.4472275 2.170780 
1 1 1    5   54    3 o   21.851   1.8188  468.655   77.135  458.787  108.792  478.631  109.383   21.618   2.5925   22.084   2.5515 -0.4664955 3.637523 
1 1 1    5   54    4 o   36.786   0.9934  1369.28   58.309  1410.96   66.373  1228.33  122.057   38.099   0.8974   35.472   1.7726 2.626923 1.986813 
1 1 1    5   54    5 o   14.400   2.0255  196.967   49.221  184.546   56.808  234.371   98.585   13.727   2.1319   15.073   3.4445 -1.346068 4.050910 
1 1 1    5   54    6 o   22.976   1.4564  497.585   61.536  460.251   74.593  577.123  108.877   21.704   1.7705   24.248   2.3131 -2.543629 2.912899 
1 1 1    5   54    7 o   28.929   1.2524  823.179   66.250  833.762   81.375  802.375  114.089   29.241   1.4336   28.616   2.0539 0.6252441 2.504705 
1 1 1    5   54    8 o   30.488   1.2294  937.073   67.176  988.296   82.021  832.709  117.077   31.840   1.3270   29.136   2.0700 2.704323 2.458863 
1 1 1    5   54    9 o   38.188   1.0080  1380.48   70.135  1305.03   84.523  1547.27  125.669   36.596   1.1898   39.780   1.6274 -3.183960 2.015943 
1 1 1    5   54   10 o   7.9199   2.4041   3.5080   62.658   8.9222   75.730  -8.2420  111.563   7.3682   3.1040   8.4716   3.6719 -1.103431 4.808110 
1 1 1    5   54   11 o   15.844   2.2168  261.942   62.413  272.263   75.934  240.451  109.577   16.593   2.3575   15.096   3.7549 1.496720 4.433618 
1 1 1    5   54   12 o   14.364   2.1895  209.346   57.804  190.401   72.848  241.552   94.982   13.550   2.8594   15.177   3.3165 -1.627287 4.378983 
1 1 1    5   54   13 o   13.595   2.3195  182.966   60.292  129.628   76.465  270.629   98.028   11.154   3.2999   16.035   3.2604 -4.880615 4.638951 
1 1 1    5   54   14 o   25.264   1.4009  626.097   65.563  609.811   80.937  657.181  111.814   24.869   1.6766   25.659   2.2449 -0.7895966 2.801837 
1 1 1    5   54   15 o   31.716   1.1640  1001.10   69.560  1029.79   89.084  956.280  111.343   32.371   1.4177   31.060   1.8467 1.310289 2.328100 
1 1 1    5   54   16 o   11.234   2.3315  135.177   64.256  218.492   81.836   1.2379  103.761   14.318   3.0385   8.1508   3.5370 6.167167 4.662931 
1 1 1    5   54   17 o   11.462   2.5817  141.192   63.451  141.023   80.033  141.479  104.111   11.399   3.3769   11.525   3.9059 -0.1264744 5.163315 
1 1 1    5   54   18 o   8.7201   2.5165   47.065   65.955   46.028   84.078   48.722  106.345   8.3683   3.3698   9.0719   3.7383 -0.7035465 5.032965 
1 1 1    5   54   19 o   18.934   2.1571  429.215   68.913  539.081   87.776  252.691  111.262   23.108   1.9568   14.760   3.8449 8.348264 4.314179 
1 1 1    5   54   20 o   10.742   2.7052  125.369   69.262  121.466   86.662  132.269  115.235   10.478   3.5635   11.005   4.0710 -0.5276194 5.410325 
1 1 1    5   55    0 o   25.829   1.4334  650.082   71.870  650.082   71.870   0.0000   0.0000   25.829   1.4334  ?   ?       ?      ? 
1 1 1    5   55    1 o   48.626   0.8924  2284.42   76.784  2259.62   91.186  2344.87  142.355   48.206   0.9745   49.045   1.4952 -0.8396912 1.784737 
1 1 1    5   55    2 o   59.144   0.8989  3392.37   94.707  3371.57  113.152  3441.02  173.069   58.880   0.9900   59.408   1.5008 -0.5275116 1.797866 
1 1 1    5   55    3 o   73.365   0.9392  5264.00  125.457  5303.66  153.202  5183.27  218.588   73.834   1.0689   72.897   1.5447 0.9366760 1.878500 
1 1 1    5   55    4 o   16.002   2.0529  299.681   49.973  333.938   57.111  187.767  103.225   18.499   1.5904   13.506   3.7853 4.992943 4.105862 
1 1 1    5   55    5 o   28.386   1.1283  800.602   53.304  814.397   61.548  759.204  106.621   28.927   1.0961   27.845   1.9725 1.082047 2.256618 
1 1 1    5   55    6 o   31.166   1.1013  936.803   53.728  928.937   60.127  967.967  119.677   30.899   1.0024   31.433   1.9614 -0.5342007 2.202684 
1 1 1    5   55    7 o   12.551   2.5432  163.448   63.349  172.002   77.538  146.274  109.862   12.895   3.1294   12.208   4.0097 0.6870127 5.086359 
1 1 1    5   55    8 o   35.365   1.1095  1257.33   71.142  1328.62   87.775  1120.83  121.457   36.917   1.2248   33.813   1.8504 3.104450 2.219091 
1 1 1    5   55    9 f   6.4792   2.1261 -65.7321   59.457 -67.6204   72.332 -61.7978  104.406   5.6741   2.6513   7.2842   3.3244 -1.610096 4.252181 
1 1 1    5   55   10 o   37.771   1.0404  1423.19   71.699  1482.85   88.591  1309.94  122.068   38.994   1.1704   36.549   1.7205 2.444836 2.080876 
1 1 1    5   55   11 o   24.906   1.3508  623.706   62.540  660.672   79.331  563.011  101.653   25.960   1.5743   23.852   2.1955 2.107443 2.701556 
1 1 1    5   55   12 o   13.591   2.2088  211.476   59.478  277.435   75.258  101.730   97.076   16.689   2.3230   10.494   3.7576 6.195644 4.417696 
1 1 1    5   55   13 f   46.923   0.8973  2159.90   79.571  2172.19  101.729  2140.54  127.713   47.144   1.1116   46.702   1.4087 0.4421806 1.794503 
1 1 1    5   55   14 o   8.5118   2.3845   33.934   64.757   94.979   81.493 -70.6490  106.666   9.9018   3.4520   7.1217   3.2903 2.780121 4.768921 
1 1 1    5   55   15 o   37.336   1.0609  1376.90   74.433  1387.28   94.377  1359.81  121.067   37.595   1.2932   37.078   1.6821 0.5167885 2.121744 
1 1 1    5   55   16 o   22.206   1.5911  503.696   65.158  518.821   81.293  476.519  108.968   22.820   1.8351   21.592   2.5998 1.228325 3.182225 
1 1 1    5   55   17 o   21.996   1.6496  489.838   68.857  480.686   88.265  504.067  110.058   21.838   2.0821   22.154   2.5592 -0.3161221 3.299206 
1 1 1    5   55   18 o   15.214   2.4663  259.233   70.117  257.069   90.111  262.553  111.628   15.316   3.1365   15.112   3.8071 0.2039709 4.932691 
1 1 1    5   55   19 o   9.9256   2.6728   94.197   69.873   82.266   89.175  113.170  112.455   9.3337   3.5534   10.518   3.9937 -1.183890 5.345676 
1 1 1    5   56    0 o   27.965   1.2980  761.891   70.463  761.891   70.463   0.0000   0.0000   27.965   1.2980  ?   ?       ?      ? 
1 1 1    5   56    1 o   12.833   2.2741  168.454   53.988  167.960   65.569  169.492   95.134   12.814   2.7201   12.851   3.6452 -0.3680897E-01 4.548217 
1 1 1    5   56    2 o   14.041   2.1927  200.112   54.436  201.936   64.400  195.547  101.874   14.336   2.3141   13.746   3.7251 0.5905275 4.385375 
1 1 1    5   56    3 o   39.309   0.9458  1523.58   66.684  1553.07   80.634  1459.78  118.610   39.950   1.0398   38.667   1.5802 1.283382 1.891604 
1 1 1    5   56    4 o   16.532   2.0194  305.991   50.725  330.777   57.885  223.986  105.290   18.400   1.6206   14.663   3.6993 3.737448 4.038750 
1 1 1    5   56    5 o   30.617   1.0928  845.052   54.676  790.904   61.476  1049.99  119.598   28.499   1.1113   32.736   1.8821 -4.237001 2.185653 
1 1 1    5   56    6 o   26.110   1.2831  643.777   53.777  625.776   60.476  711.789  117.553   25.336   1.2296   26.884   2.2525 -1.547823 2.566301 
1 1 1    5   56    7 o   12.384   2.2743  171.668   60.058  226.718   73.003   56.387  105.643   15.139   2.4841   9.6281   3.8104 5.511310 4.548594 
1 1 1    5   56    8 o   22.223   1.5708  498.706   64.052  526.372   79.973  449.203  106.974   23.167   1.7783   21.278   2.5899 1.888607 3.141626 
1 1 1    5   56    9 o   32.211   1.1181  1031.60   66.583  1070.19   83.323  963.418  110.750   33.104   1.2966   31.317   1.8218 1.787683 2.236114 
1 1 1    5   56   10 o   24.929   1.4053  639.804   62.629  690.831   76.980  539.903  107.711   26.553   1.4935   23.305   2.3809 3.247572 2.810521 
1 1 1    5   56   11 o   23.491   1.4787  563.637   62.751  597.053   77.319  499.159  107.404   24.643   1.6163   22.340   2.4767 2.302624 2.957451 
1 1 1    5   56   12 o   8.2503   2.3936   29.773   62.339   59.978   78.152 -23.0620  103.363   8.7438   3.3271   7.7567   3.4422 0.9870801 4.787281 
1 1 1    5   56   13 o   11.698   2.3644  149.722   59.933  200.717   78.559   78.709   92.704   13.752   3.0250   9.6435   3.6346 4.108846 4.728730 
1 1 1    5   56   14 o   21.053   1.7131  443.621   68.110  432.443   86.415  461.954  110.666   20.793   2.1410   21.314   2.6748 -0.5212517 3.426106 
1 1 1    5   56   15 o   26.829   1.3925  720.991   70.073  725.488   88.644  713.501  114.409   27.044   1.6886   26.613   2.2146 0.4301300 2.784913 
1 1 1    5   56   16 o   7.0819   2.2496 -30.5286   65.605   10.912   81.595 -106.3064  110.336   7.4483   3.1830   6.7156   3.1799 0.7326589 4.499279 
1 1 1    5   56   17 o   12.274   2.6408  169.431   67.658  168.391   86.932  171.030  107.752   12.260   3.4870   12.288   3.9669 -0.2784443E-01 5.281598 
1 1 1    5   56   18 o   17.681   2.2677  341.282   71.914  338.011   88.648  347.577  122.985   18.017   2.5347   17.345   3.7611 0.6717644 4.535479 
1 1 1    5   57    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   57    1 o   41.231   1.0317  1654.68   82.574  1654.68   82.574   0.0000   0.0000   41.231   1.0317  ?   ?       ?      ? 
1 1 1    5   57    2 o   28.517   1.1813  766.298   59.572  727.930   70.121  865.826  112.936   27.321   1.3222   29.712   1.9581 -2.391529 2.362683 
1 1 1    5   57    3 o   8.6583   2.4191   10.073   56.301 -26.4621   65.496  113.492  110.193   6.0658   2.7127   11.251   4.0061 -5.184847 4.838146 
1 1 1    5   57    4 o   19.556   1.8387  419.397   51.860  444.001   58.371  327.201  112.993   21.325   1.4101   17.787   3.3964 3.537926 3.677441 
1 1 1    5   57    5 o   10.393   2.4681   76.002   50.578   51.645   56.762  169.857  111.423   7.8900   2.8669   12.895   4.0184 -5.005126 4.936229 
1 1 1    5   57    6 o   10.122   2.4068   68.564   49.901   39.491   56.665  169.014  105.327   7.4374   2.8323   12.807   3.8922 -5.369485 4.813682 
1 1 1    5   57    7 o   23.268   1.4003  508.232   60.681  452.314   74.333  619.950  105.066   21.468   1.7837   25.068   2.1591 -3.600750 2.800603 
1 1 1    5   57    8 o   29.550   1.1770  871.828   64.903  917.510   82.534  797.803  105.062   30.630   1.3881   28.469   1.9011 2.161396 2.353950 
1 1 1    5   57    9 o   17.027   1.9207  272.213   60.411  234.519   73.078  353.571  107.361   15.336   2.4548   18.718   2.9547 -3.382729 3.841420 
1 1 1    5   57   10 f   30.104   1.1302  885.842   63.542  872.028   79.404  910.439  105.957   29.831   1.3712   30.377   1.7969 -0.5461979 2.260324 
1 1 1    5   57   11 o   19.452   1.7413  386.680   63.453  408.764   81.375  352.423  101.350   20.270   2.0681   18.633   2.8020 1.637436 3.482559 
1 1 1    5   57   12 o   12.578   2.6236  169.285   66.771  167.320   83.517  172.767  111.161   12.477   3.3693   12.679   4.0225 -0.2023487 5.247111 
1 1 1    5   57   13 o   28.279   1.2899  777.416   67.841  739.724   83.751  849.341  115.693   27.381   1.5757   29.178   2.0426 -1.797115 2.579776 
1 1 1    5   57   14 f   45.841   0.9763  2044.84   82.863  1989.44  102.172  2151.31  141.641   45.038   1.1686   46.644   1.5643 -1.605255 1.952663 
1 1 1    5   57   15 o   19.262   1.8345  374.992   66.358  357.915   83.142  404.959  110.138   18.788   2.2797   19.736   2.8748 -0.9488373 3.669004 
1 1 1    5   57   16 o   12.255   2.6076  175.426   70.764  221.109   89.079   97.288  116.502   14.129   3.3065   10.381   4.0329 3.748000 5.215125 
1 1 1    5   57   17 o   12.819   2.5311  202.552   70.483  259.226   86.900   93.583  120.498   15.390   3.0167   10.247   4.0651 5.142185 5.062143 
1 1 1    5   57   18 o   20.542   1.8838  443.776   72.237  440.302   90.697  449.802  119.460   20.662   2.2613   20.422   3.0134 0.2398376 3.767516 
1 1 1    5   58    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   58    1 o   19.128   1.8108  358.725   67.235  358.725   67.235   0.0000   0.0000   19.128   1.8108  ?   ?       ?      ? 
1 1 1    5   58    2 o   43.719   0.9392  1876.09   72.023  1890.55   85.422  1840.55  133.952   44.065   0.9986   43.374   1.5910 0.6912498 1.878411 
1 1 1    5   58    3 o   24.702   1.3834  615.215   58.169  633.495   68.197  566.407  111.438   25.469   1.3794   23.935   2.3985 1.534393 2.766843 
1 1 1    5   58    4 o   10.901   2.2287  131.713   49.493  155.979   57.054   57.921   99.490   12.343   2.4675   9.4584   3.7122 2.884365 4.457449 
1 1 1    5   58    5 o   20.975   1.5268  459.941   50.863  481.944   58.145  388.226  104.972   22.212   1.3485   19.738   2.7398 2.473932 3.053678 
1 1 1    5   58    6 o   19.757   1.5869  376.342   51.242  368.095   58.164  404.940  108.306   19.385   1.5457   20.129   2.7719 -0.7436657 3.173730 
1 1 1    5   58    7 o   28.255   1.1443  813.693   53.555  844.133   62.075  725.062  105.920   29.415   1.0871   27.094   2.0139 2.321566 2.288610 
1 1 1    5   58    8 o   11.210   2.4384  133.309   59.021  157.524   73.914   90.700   98.046   12.225   3.1079   10.195   3.7582 2.030266 4.876738 
1 1 1    5   58    9 o   9.5493   2.5079   76.198   59.809   70.557   74.197   86.664  101.063   8.9815   3.2756   10.117   3.7985 -1.135667 5.015763 
1 1 1    5   58   10 o   22.928   1.5348  542.914   62.825  576.532   76.773  474.764  109.308   24.177   1.6358   21.679   2.5975 2.498564 3.069673 
1 1 1    5   58   11 o   8.4090   2.4362   36.325   62.152   47.419   77.633   16.521  103.725   8.3337   3.2765   8.4842   3.6063 -0.1504879 4.872453 
1 1 1    5   58   12 o   24.141   1.4294  581.696   65.107  582.932   82.994  579.719  104.982   24.253   1.7629   24.030   2.2506 0.2227859 2.858851 
1 1 1    5   58   13 o   25.009   1.5142  622.925   70.210  609.780   86.913  647.616  119.118   24.755   1.8087   25.263   2.4290 -0.5080872 3.028397 
1 1 1    5   58   14 o   8.8161   2.4952   54.628   64.229   70.357   80.499   27.072  106.549   8.9769   3.3861   8.6552   3.6659 0.3217869 4.990426 
1 1 1    5   58   15 o   11.223   2.3861  138.678   67.765  225.508   85.397  -8.9635  111.356   14.351   3.1517   8.0945   3.5833 6.256726 4.772137 
1 1 1    5   58   16 o   28.256   1.3791  801.466   72.896  787.706   91.367  825.563  120.913   28.069   1.6769   28.443   2.1899 -0.3746662 2.758209 
1 1 1    5   58   17 o   7.8188   2.4427   2.9328   69.316   7.1120   84.543  -5.6381  121.072   7.3421   3.1894   8.2954   3.7006 -0.9532604 4.885347 
1 1 1    5   59    0 o   29.931   1.2704  874.424   73.815  874.424   73.815   0.0000   0.0000   29.931   1.2704  ?   ?       ?      ? 
1 1 1    5   59    1 o   8.5170   3.0001   64.747   61.641   64.747   61.641   0.0000   0.0000   8.5170   3.0001  ?   ?       ?      ? 
1 1 1    5   59    2 o   36.665   0.9322  1295.59   62.968  1259.15   77.168  1368.19  108.929   35.938   1.1061   37.392   1.5007 -1.454033 1.864322 
1 1 1    5   59    3 o   8.9749   2.4397   46.894   55.155   27.360   65.065   96.778  103.973   7.3739   2.9662   10.576   3.8744 -3.201858 4.879446 
1 1 1    5   59    4 o   19.570   1.6085  365.530   50.614  354.912   56.979  405.253  110.208   19.030   1.5424   20.110   2.8232 -1.079283 3.217064 
1 1 1    5   59    5 o   21.381   1.4699  426.470   51.866  404.941   58.756  502.464  110.389   20.326   1.4891   22.435   2.5347 -2.109221 2.939794 
1 1 1    5   59    6 o   10.123   2.4206   87.959   49.775   74.568   56.828  132.084  103.157   8.7451   2.8844   11.501   3.8880 -2.755858 4.841124 
1 1 1    5   59    7 o   15.787   2.0897  302.892   50.632  340.960   57.905  179.269  104.349   18.619   1.6021   12.955   3.8600 5.663383 4.179336 
1 1 1    5   59    8 f   7.6596   2.3451  -4.2835   61.354 -18.1314   75.924   21.778  104.156   6.6839   2.9588   8.6354   3.6392 -1.951549 4.690234 
1 1 1    5   59    9 o   9.3719   2.5431   68.870   62.648   66.185   77.569   73.909  106.242   8.8914   3.3299   9.8524   3.8447 -0.9609766 5.086238 
1 1 1    5   59   10 o   33.495   1.1400  1092.40   70.304  1062.41   86.149  1152.19  121.643   32.897   1.3491   34.093   1.8380 -1.196800 2.279984 
1 1 1    5   59   11 o   23.975   1.4691  556.023   65.899  509.012   81.511  644.736  111.973   22.631   1.8555   25.320   2.2782 -2.689014 2.938161 
1 1 1    5   59   12 o   16.457   2.2441  307.813   65.986  355.264   82.713  224.746  109.437   18.758   2.2716   14.157   3.8710 4.600769 4.488301 
1 1 1    5   59   13 o   20.542   1.7422  422.224   67.583  394.868   85.093  468.962  111.226   19.756   2.2189   21.328   2.6865 -1.572712 3.484360 
1 1 1    5   59   14 o   9.3095   2.6006   60.565   68.326   32.101   86.887  106.688  110.603   8.0965   3.3614   10.522   3.9690 -2.426008 5.201187 
1 1 1    5   59   15 o   33.338   1.1989  1106.03   75.941  1084.56   97.491  1139.15  121.105   33.025   1.5207   33.651   1.8539 -0.6257553 2.397850 
1 1 1    5   59   16 o   23.193   1.7307  559.881   71.949  560.435   86.891  558.675  128.327   23.521   1.9031   22.865   2.8912 0.6552944 3.461331 
1 1 1    5   60    0 o   15.673   2.1622  243.244   65.780  243.244   65.780   0.0000   0.0000   15.673   2.1622  ?   ?       ?      ? 
1 1 1    5   60    1 o   30.831   1.1667  928.168   69.825  928.168   69.825   0.0000   0.0000   30.831   1.1667  ?   ?       ?      ? 
1 1 1    5   60    2 o   10.741   3.0027  120.086   65.042  120.086   65.042   0.0000   0.0000   10.741   3.0027  ?   ?       ?      ? 
1 1 1    5   60    3 o   18.572   1.9344  363.720   56.836  375.596   65.544  327.720  114.114   19.532   1.7287   17.613   3.4612 1.919659 3.868852 
1 1 1    5   60    4 o   24.912   1.3453  620.882   52.093  626.230   58.454  600.244  114.835   25.311   1.1897   24.512   2.4134 0.7987766 2.690670 
1 1 1    5   60    5 o   24.726   1.3325  622.042   52.609  636.399   59.840  573.175  110.399   25.508   1.2085   23.945   2.3751 1.562542 2.664908 
1 1 1    5   60    6 o   37.022   0.9494  1354.87   58.389  1365.29   67.212  1322.80  117.886   37.414   0.9254   36.630   1.6579 0.7836609 1.898704 
1 1 1    5   60    7 o   14.410   2.0279  172.095   50.918  119.676   58.442  337.258  103.738   10.657   2.7916   18.164   2.9422 -7.506300 4.055837 
1 1 1    5   60    8 o   8.7934   2.3673   62.864   49.936   68.639   56.382   41.855  107.547   8.4451   2.8743   9.1417   3.7623 -0.6965590 4.734649 
1 1 1    5   60    9 o   19.188   1.8443  362.645   66.718  331.494   83.489  417.685  110.978   18.151   2.3695   20.224   2.8268 -2.072847 3.688583 
1 1 1    5   60   10 f   13.164   2.4863  164.829   63.499  107.902   77.060  285.247  112.078   10.225   3.3582   16.104   3.6674 -5.878463 4.972661 
1 1 1    5   60   11 o   13.356   2.5177  190.571   64.186  172.583   79.501  224.247  108.780   12.585   3.2362   14.128   3.8579 -1.542603 5.035490 
1 1 1    5   60   12 o   10.785   2.6781  118.309   67.777  110.542   85.609  131.354  110.946   10.327   3.5416   11.244   4.0181 -0.9168453 5.356106 
1 1 1    5   60   13 o   10.548   2.4678  116.312   67.010  182.753   84.697   5.1304  109.564   12.816   3.3624   8.2790   3.6131 4.537063 4.935665 
1 1 1    5   60   14 o   28.947   1.3963  858.110   75.268  891.183   95.239  803.088  122.843   29.878   1.6421   28.017   2.2587 1.860273 2.792536 
1 1 1    5   60   15 o   25.722   1.6433  701.040   75.170  732.665   91.361  634.765  132.258   26.986   1.7441   24.458   2.7858 2.528149 3.286676 
1 1 1    5   61    0 o   8.4572   3.0134   64.274   62.360   64.274   62.360   0.0000   0.0000   8.4572   3.0134  ?   ?       ?      ? 
1 1 1    5   61    1 o   12.619   2.7601  166.533   65.727  166.533   65.727   0.0000   0.0000   12.619   2.7601  ?   ?       ?      ? 
1 1 1    5   61    2 o   6.9709   2.8787   17.949   63.240   17.949   63.240   0.0000   0.0000   6.9709   2.8787  ?   ?       ?      ? 
1 1 1    5   61    3 o   8.7740   2.3094   62.333   55.650   98.676   67.202 -16.9729   99.272   9.8432   3.1281   7.7048   3.3984 2.138451 4.618901 
1 1 1    5   61    4 o   22.347   1.3719  499.588   51.347  503.719   59.393  487.365  102.168   22.658   1.3504   22.036   2.3885 0.6224461 2.743801 
1 1 1    5   61    5 o   12.167   2.2179  164.664   49.641  177.600   57.959  129.044   96.177   13.121   2.3625   11.214   3.7544 1.906698 4.435841 
1 1 1    5   61    6 o   9.1504   2.1497   82.840   51.218  129.540   60.303 -38.0733   97.033   11.076   2.8025   7.2249   3.2605 3.851108 4.299384 
1 1 1    5   61    7 o   19.447   1.7462  417.982   52.425  449.968   60.740  324.561  103.806   21.385   1.4632   17.508   3.1711 3.877172 3.492396 
1 1 1    5   61    8 f   14.699   2.1822  219.226   53.321  211.376   61.003  244.639  109.760   14.523   2.1639   14.876   3.7902 -0.3529997 4.364396 
1 1 1    5   61    9 o   17.064   2.1035  293.994   67.003  250.744   84.909  365.375  109.082   15.354   2.9560   18.773   2.9934 -3.418353 4.206934 
1 1 1    5   61   10 o   27.876   1.3000  766.311   67.348  744.712   83.438  806.688  114.083   27.423   1.5674   28.330   2.0745 -0.9071922 2.600059 
1 1 1    5   61   11 f   24.225   1.5499  589.020   68.718  579.181   84.008  608.916  119.465   24.084   1.7969   24.365   2.5259 -0.2805042 3.099802 
1 1 1    5   61   12 o   15.324   2.4213  262.169   68.610  272.429   84.671  242.550  117.085   16.197   2.6930   14.452   4.0247 1.744849 4.842567 
1 1 1    5   61   13 o   10.399   2.6752  112.298   69.164  121.713   86.923   96.051  114.187   10.582   3.5691   10.216   3.9861 0.3660412 5.350430 
1 1 1    5   61   14 o   11.040   2.7424  136.094   70.319  143.041   83.941  119.746  128.764   11.219   3.4864   10.861   4.2342 0.3575115 5.484884 
1 1 1    5   62    0 o   5.8683   2.6386 -25.6402   62.880 -25.6402   62.880   0.0000   0.0000   5.8683   2.6386  ?   ?       ?      ? 
1 1 1    5   62    1 o   17.203   1.9939  294.339   66.585  294.339   66.585   0.0000   0.0000   17.203   1.9939  ?   ?       ?      ? 
1 1 1    5   62    2 o   16.186   2.0521  260.957   64.477  260.957   64.477   0.0000   0.0000   16.186   2.0521  ?   ?       ?      ? 
1 1 1    5   62    3 o   14.230   2.3286  207.412   58.631  193.213   69.527  242.366  109.087   13.580   2.7321   14.881   3.7716 -1.300693 4.657160 
1 1 1    5   62    4 o   22.637   1.3861  481.053   51.378  458.159   58.051  563.819  110.375   21.597   1.3847   23.676   2.4016 -2.079617 2.772155 
1 1 1    5   62    5 o   23.826   1.3935  565.233   54.673  565.550   62.626  564.219  112.103   23.998   1.3444   23.655   2.4413 0.3427906 2.787009 
1 1 1    5   62    6 o   7.1084   2.1900   3.3802   52.076   20.039   59.786 -49.0069  106.020   6.8363   2.8084   7.3806   3.3613 -0.5442810 4.380072 
1 1 1    5   62    7 o   6.3403   2.0498 -31.5601   52.288  -7.4124   60.279 -104.9577  105.092   6.1146   2.6739   6.5661   3.1075 -0.4515729 4.099565 
1 1 1    5   62    8 o   23.780   1.4754  558.340   57.861  549.700   66.094  586.685  119.713   23.602   1.4426   23.958   2.5741 -0.3554325 2.950813 
1 1 1    5   62    9 o   13.725   2.1221  247.985   51.657  297.211   59.385   94.917  104.718   17.268   1.7716   10.181   3.8568 7.086988 4.244188 
1 1 1    5   62   10 o   10.510   2.4971  115.585   66.963  173.334   83.959   14.631  111.009   12.502   3.3791   8.5182   3.6775 3.983450 4.994213 
1 1 1    5   62   11 o   18.891   2.0301  393.830   67.858  438.252   86.206  321.470  110.025   20.785   2.1366   16.996   3.4526 3.788799 4.060251 
1 1 1    5   62   12 o   20.571   1.8331  438.302   70.515  431.069   88.476  450.896  116.748   20.528   2.2203   20.615   2.9175 -0.8685303E-01 3.666276 
1 1 1    5   62   13 o   17.644   2.3194  368.416   71.650  417.728   88.846  276.688  121.174   20.125   2.2742   15.162   4.0430 4.963055 4.638731 
1 1 1    5   63    0 o   21.189   1.6472  443.418   67.750  443.418   67.750   0.0000   0.0000   21.189   1.6472  ?   ?       ?      ? 
1 1 1    5   63    1 o   11.774   2.8873  147.179   65.483  147.179   65.483   0.0000   0.0000   11.774   2.8873  ?   ?       ?      ? 
1 1 1    5   63    2 o   13.804   2.6270  199.124   67.822  199.124   67.822   0.0000   0.0000   13.804   2.6270  ?   ?       ?      ? 
1 1 1    5   63    3 o   17.734   1.7270  318.910   56.008  321.074   68.825  314.666   96.372   17.946   1.9757   17.523   2.8332 0.4231415 3.454064 
1 1 1    5   63    4 o   23.334   1.6098  618.384   55.158  668.124   62.273  437.254  118.834   26.094   1.2294   20.574   2.9755 5.520258 3.219501 
1 1 1    5   63    5 o   6.1091   2.0668 -93.6774   53.855 -109.5545   61.116 -38.5152  113.918   4.4147   2.1573   7.8035   3.5261 -3.388790 4.133700 
1 1 1    5   63    6 o   21.489   1.6097  445.855   57.382  427.130   65.343  508.965  119.959   20.760   1.6215   22.219   2.7813 -1.459232 3.219450 
1 1 1    5   63    7 o   13.569   2.3309  217.615   56.854  240.151   65.161  145.750  116.361   15.423   2.1765   11.715   4.1225 3.707735 4.661795 
1 1 1    5   63    8 f   14.277   2.3414  212.499   56.375  205.261   64.113  237.174  118.372   14.203   2.3254   14.350   4.0646 -0.1474991 4.682799 
1 1 1    5   63    9 o   8.7594   2.3650   66.072   57.438   97.206   66.356 -26.9655  114.707   9.6064   3.1142   7.9125   3.5602 1.693974 4.730087 
1 1 1    5   63   10 o   8.2842   2.5112   21.503   69.431   20.403   86.011   23.560  117.633   7.7592   3.2905   8.8092   3.7944 -1.049951 5.022400 
1 1 1    5   63   11 o   6.9229   2.2447 -40.0574   66.022 -39.1284   83.068 -41.6507  108.789   6.4471   2.9511   7.3986   3.3832 -0.9515066 4.489425 
1 1 1    5   63   12 o   6.3713   2.1585 -131.6844   70.488 -185.3887   87.427 -31.9307  119.154   4.9017   2.4302   7.8410   3.5680 -2.939272 4.317010 
1 1 1    5   64    0 o   6.9374   2.9156   13.655   66.559   13.655   66.559   0.0000   0.0000   6.9374   2.9156  ?   ?       ?      ? 
1 1 1    5   64    1 o   9.4750   3.0706   92.368   64.514   92.368   64.514   0.0000   0.0000   9.4750   3.0706  ?   ?       ?      ? 
1 1 1    5   64    2 o   5.5286   2.5736 -53.9735   67.150 -53.9735   67.150   0.0000   0.0000   5.5286   2.5736  ?   ?       ?      ? 
1 1 1    5   64    3 o   7.4196   3.0083   30.387   67.505   30.387   67.505   0.0000   0.0000   7.4196   3.0083  ?   ?       ?      ? 
1 1 1    5   64    4 o   8.6380   2.3924   54.468   51.680   51.065   59.179   65.403  106.075   7.7809   2.9096   9.4952   3.7986 -1.714298 4.784870 
1 1 1    5   64    5 o   25.078   1.3408  613.971   55.883  599.814   63.930  659.825  115.056   24.670   1.3349   25.486   2.3257 -0.8150330 2.681582 
1 1 1    5   64    6 o   21.393   1.6392  473.260   57.780  480.978   66.583  449.724  116.274   22.022   1.5575   20.764   2.8848 1.258570 3.278363 
1 1 1    5   64    7 o   7.9217   2.3876  -3.6042   55.823 -30.0052   63.632   84.586  116.299   5.7512   2.6133   10.092   3.9967 -4.340972 4.775280 
1 1 1    5   64    8 o   12.745   2.4859  181.644   57.855  183.558   66.193  175.451  119.073   13.083   2.6961   12.407   4.1773 0.6755371 4.971816 
1 1 1    5   64    9 o   17.268   2.1861  337.845   58.712  350.836   67.038  295.070  121.645   18.671   1.8496   15.866   3.9617 2.805098 4.372225 
1 1 1    5   64   10 o   12.697   2.4647  188.222   57.686  195.366   65.859  164.679  119.557   13.470   2.6130   11.925   4.1798 1.545362 4.929403 
1 1 1    5   65    0 o   22.592   1.5112  505.132   66.274  505.132   66.274   0.0000   0.0000   22.592   1.5112  ?   ?       ?      ? 
1 1 1    5   65    1 o   10.086   3.0745  108.537   65.647  108.537   65.647   0.0000   0.0000   10.086   3.0745  ?   ?       ?      ? 
1 1 1    5   65    2 o   21.561   1.7206  463.015   72.016  463.015   72.016   0.0000   0.0000   21.561   1.7206  ?   ?       ?      ? 
1 1 1    5   65    3 f   15.865   2.1743  254.698   66.960  254.698   66.960   0.0000   0.0000   15.865   2.1743  ?   ?       ?      ? 
1 1 1    5   65    4 o   24.661   1.5044  630.864   58.703  643.830   66.601  585.714  124.285   25.543   1.3432   23.780   2.6924 1.762897 3.008880 
1 1 1    5   65    5 o   19.842   1.9919  448.284   58.597  475.859   66.765  355.819  122.259   21.884   1.5716   17.799   3.6607 4.085402 3.983839 
1 1 1    5   65    6 o   16.621   2.1490  301.791   57.816  306.711   66.715  286.948  115.871   17.439   1.9707   15.803   3.8196 1.636230 4.298010 
1 1 1    5   65    7 o   13.322   2.3916  185.217   55.621  169.401   64.076  233.563  112.029   12.521   2.7145   14.122   3.9383 -1.600823 4.783114 
1 1 1    5   65    8 o   11.709   2.2822  171.914   57.499  209.032   65.291   43.661  121.366   14.225   2.3646   9.1932   3.9042 5.031303 4.564390 
1 1 1    5   65    9 o   13.280   2.3060  230.707   58.589  269.444   66.758  100.847  122.229   16.224   2.1198   10.335   4.0960 5.888229 4.612000 
1 1 1    5   66    0 o   20.503   1.7321  419.777   68.938  419.777   68.938   0.0000   0.0000   20.503   1.7321  ?   ?       ?      ? 
1 1 1    5   66    1 f   15.700   2.3656  252.227   72.095  252.227   72.095   0.0000   0.0000   15.700   2.3656  ?   ?       ?      ? 
1 1 1    5   66    2 o   6.6129   2.8954  -4.9555   70.872  -4.9555   70.872   0.0000   0.0000   6.6129   2.8954  ?   ?       ?      ? 
1 1 1    5   66    3 o   21.908   1.6933  479.352   72.011  479.352   72.011   0.0000   0.0000   21.908   1.6933  ?   ?       ?      ? 
1 1 1    5   66    4 o   25.869   1.2064  657.076   55.803  638.235   66.605  701.444  102.211   25.401   1.3508   26.337   1.9993 -0.9355373 2.412805 
1 1 1    5   66    5 o   27.171   1.3780  724.726   59.893  708.287   67.466  785.874  130.116   26.767   1.2984   27.574   2.4309 -0.8069439 2.755923 
1 1 1    5   66    6 o   14.431   2.4059  234.023   59.560  235.684   68.035  228.573  123.221   15.118   2.3184   13.744   4.2164 1.373404 4.811734 
1 1 1    5   66    7 o   7.1057   2.2039   0.7877   57.731   38.238   65.417 -131.0725  122.750   7.4388   2.9806   6.7726   3.2473 0.6661973 4.407830 
1 1 1    5   67    0 o   13.723   2.6507  202.162   68.054  202.162   68.054   0.0000   0.0000   13.723   2.6507  ?   ?       ?      ? 
1 1 1    5   67    1 o   13.876   2.6302  206.476   68.253  206.476   68.253   0.0000   0.0000   13.876   2.6302  ?   ?       ?      ? 
1 1 1    5   67    2 o   9.2555   3.1678   89.528   68.488   89.528   68.488   0.0000   0.0000   9.2555   3.1678  ?   ?       ?      ? 
1 1 1    5   67    3 o   9.7068   3.2161  101.618   70.621  101.618   70.621   0.0000   0.0000   9.7068   3.2161  ?   ?       ?      ? 
1 1 1    5   67    4 o   19.114   1.7509  367.704   64.967  367.704   64.967   0.0000   0.0000   19.114   1.7509  ?   ?       ?      ? 
1 1 1    5   67    5 o   11.553   2.5208  144.790   56.652  135.793   65.557  171.323  112.580   11.042   2.9865   12.064   4.0618 -1.022308 5.041566 
1 1 1    5   68    0 o   25.327   1.5070  639.880   74.089  639.880   74.089   0.0000   0.0000   25.327   1.5070  ?   ?       ?      ? 
1 1 1    5   68    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0    0 o   29.802   0.4586  862.890   26.474  871.044   38.428  855.524   36.525   29.935   0.6620   29.669   0.6349 -0.000000 0.000000 
1 1 1    6    0    1 o   82.298   2.4135  6610.82  383.691  7003.82  547.562  6231.69  537.812   84.723   3.3412   79.873   3.4838 -0.000000 0.000000 
1 1 1    6    0    2 o  139.286   1.3967 18845.37  377.441 18964.23  536.995 18729.30  530.626  139.719   1.9808  138.852   1.9696 -0.000000 0.000000 
1 1 1    6    0    3 f  311.629   2.2051 94415.06  1258.86 94519.77  1544.19 94207.59  2173.66  311.946   2.5505  311.313   3.5980 -0.000000 0.000000 
1 1 1    6    0    4 f   56.103   0.6774  3058.25   73.714  3104.37  104.071  3011.82  104.424   56.529   0.9490   55.678   0.9668 -0.000000 0.000000 
1 1 1    6    0    5 o  124.079   1.0975 14949.70  264.223 15176.99  376.738 14729.68  370.671  125.008   1.5531  123.151   1.5511 -0.000000 0.000000 
1 1 1    6    0    6 f  364.468   1.7711 129083.50  1250.49 127648.10  1820.75 130365.10  1720.44  362.542   2.5875  366.394   2.4192 -0.000000 0.000000 
1 1 1    6    0    7 o  271.061   1.7080 71384.31  891.377 71073.06  1346.84 71626.91  1189.05  270.526   2.5652  271.596   2.2557 -0.000000 0.000000 
1 1 1    6    0    8 o  129.316   1.1634 16240.47  291.935 16349.74  412.841 16131.18  412.876  129.752   1.6397  128.880   1.6509 -0.000000 0.000000 
1 1 1    6    0    9 o  191.636   1.4556 35661.27  541.340 35606.55  764.631 35716.26  766.513  191.489   2.0576  191.783   2.0595 -0.000000 0.000000 
1 1 1    6    0   10 f  441.489   2.0507 189247.50  1757.10 188352.80  2465.06 190171.59  2505.27  440.429   2.8835  442.549   2.9166 -0.000000 0.000000 
1 1 1    6    0   11 o  114.550   1.1252 12744.59  250.079 12765.11  352.340 12723.75  355.005  114.643   1.5839  114.457   1.5985 -0.000000 0.000000 
1 1 1    6    0   12 o  139.390   1.3732 18816.40  368.263 19290.80  561.354 18457.98  487.934  140.922   2.0531  137.857   1.8241 -0.000000 0.000000 
1 1 1    6    0   13 o   82.730   1.6609  6614.05  201.900  6732.42  485.247  6589.27  222.031   83.104   3.0170   82.356   1.3897 -0.000000 0.000000 
1 1 1    6    0   14 o   33.995   1.0478  1129.18   68.780  1176.95   96.824  1080.52   97.722   34.731   1.4418   33.259   1.5209 -0.000000 0.000000 
1 1 1    6    0   15 o  193.640   1.7891 36431.96  672.239 36119.32  949.131 36746.66  952.257  192.805   2.5369  194.474   2.5234 -0.000000 0.000000 
1 1 1    6    0   16 o  177.968   1.5987 30886.90  547.679 29822.26  820.556 31742.21  735.479  175.178   2.4141  180.759   2.0967 -0.000000 0.000000 
1 1 1    6    0   17 o   11.954   2.8532  189.451   62.593  227.221   80.953  133.302   98.704   14.243   3.3722   9.6642   4.6033 -0.000000 0.000000 
1 1 1    6    0   18 o  249.759   1.7258 60620.22  836.420 60085.35  1171.05 61177.26  1195.07  248.636   2.4268  250.882   2.4544 -0.000000 0.000000 
1 1 1    6    0   19 o   20.275   1.8019  419.063   67.479  386.027   95.854  451.520   95.010   19.390   2.6956   21.160   2.3918 -0.000000 0.000000 
1 1 1    6    0   20 o   37.675   1.1386  1385.86   82.876  1392.62  119.390  1379.57  115.136   37.761   1.6358   37.590   1.5843 -0.000000 0.000000 
1 1 1    6    0   21 o  120.630   1.5394 14152.88  360.129 14379.41  516.266 13938.18  502.608  121.569   2.1893  119.691   2.1648 -0.000000 0.000000 
1 1 1    6    0   22 o   13.991   3.1273  244.129   75.879  204.540  110.930  278.939  104.022   12.363   4.8345   15.618   3.9684 -0.000000 0.000000 
1 1 1    6    0   23 o  248.255   3.0385 60306.24  1463.05 59262.77  2046.50 61397.04  2092.40  246.062   4.2875  250.448   4.3068 -0.000000 0.000000 
1 1 1    6    0   24 o   91.913   1.2749  8221.30  227.245  8084.47  320.323  8359.95  322.432   91.141   1.8122   92.685   1.7936 -0.000000 0.000000 
1 1 1    6    0   25 o   61.359   1.1311  3658.08  134.192  3788.51  198.018  3547.31  182.485   62.365   1.6382   60.353   1.5600 -0.000000 0.000000 
1 1 1    6    0   26 f   36.074   1.4300  1266.86   98.829  1468.34  147.371  1102.20  133.226   38.690   1.9739   33.457   2.0695 -0.000000 0.000000 
1 1 1    6    0   27 o  101.340   1.3762  9994.17  270.061 10448.18  396.017  9599.50  369.235  103.482   1.9731   99.199   1.9191 -0.000000 0.000000 
1 1 1    6    0   28 o  103.884   1.4128 10532.54  284.441 10974.58  411.908 10129.62  393.260  105.964   2.0041  101.803   1.9917 -0.000000 0.000000 
1 1 1    6    0   29 o   74.263   1.1733  5391.29  168.914  5495.52  238.265  5285.97  239.500   74.992   1.6385   73.533   1.6798 -0.000000 0.000000 
1 1 1    6    0   30 f   30.200   1.7254  920.109   99.234  992.175  139.271  845.791  141.431   31.483   2.3074   28.917   2.5661 -0.000000 0.000000 
1 1 1    6    0   31 o   9.7405   3.5651  135.726   93.040  215.609  136.073   65.590  127.501   11.861   5.4240   7.6201   4.6282 -0.000000 0.000000 
1 1 1    6    0   32 o   50.692   1.2908  2541.76  126.525  2401.70  177.858  2685.26  180.027   49.252   1.8664   52.133   1.7837 -0.000000 0.000000 
1 1 1    6    0   33 o   13.075   3.6689  257.209   95.654  328.666  135.268  185.738  135.282   15.623   5.0482   10.526   5.3253 -0.000000 0.000000 
1 1 1    6    1    0 o   37.913   0.3600  1395.21   26.493  1412.09   37.502  1378.39   37.432   38.142   0.5065   37.685   0.5117 0.4578400 0.7199823 
1 1 1    6    1    1 o  207.472   1.2447 41780.75  501.196 42649.13  716.239 40947.54  701.586  209.584   1.7605  205.360   1.7599 4.223450 2.489326 
1 1 1    6    1    2 o  261.546   1.5976 66470.80  794.236 66575.02  1024.52 66313.84  1257.34  261.823   2.0158  261.269   2.4791 0.5541992 3.195240 
1 1 1    6    1    3 o  227.355   1.1410 50192.68  503.582 50235.01  712.649 50150.47  711.695  227.451   1.6141  227.260   1.6133 0.1914063 2.282073 
1 1 1    6    1    4 o  103.415   0.7195 10374.08  144.236 10523.27  210.229 10241.39  198.258  104.116   1.0402  102.713   0.9943 1.403107 1.438994 
1 1 1    6    1    5 o  198.475   0.9927 38244.55  382.456 38307.20  541.361 38182.13  540.388  198.637   1.4040  198.313   1.4037 0.3245392 1.985365 
1 1 1    6    1    6 o  115.609   0.7679 12974.43  172.319 12937.22  243.739 13011.62  243.652  115.443   1.0877  115.775   1.0842 -0.3315048 1.535703 
1 1 1    6    1    7 o  142.391   0.8726 19681.73  241.193 19647.32  341.565 19715.95  340.632  142.267   1.2368  142.515   1.2313 -0.2483215 1.745219 
1 1 1    6    1    8 o  212.107   1.0473 43670.80  431.187 43280.25  607.211 44068.06  612.404  211.151   1.4814  213.064   1.4807 -1.913071 2.094535 
1 1 1    6    1    9 o  121.405   0.9080 14351.09  210.773 14046.84  325.873 14569.92  276.365  120.294   1.3955  122.516   1.1621 -2.221634 1.815999 
1 1 1    6    1   10 o  143.583   0.8985 20008.25  250.391 19752.81  350.995 20272.96  357.303  142.650   1.2675  144.516   1.2737 -1.865921 1.796913 
1 1 1    6    1   11 o  387.092   1.3589 145485.50  1017.36 145594.80  1381.03 145355.70  1504.43  387.255   1.8371  386.928   2.0030 0.3276978 2.717893 
1 1 1    6    1   12 o  104.283   0.8855 10571.43  175.408 10629.98  226.224 10483.16  277.761  104.647   1.1137  103.918   1.3769 0.7282104 1.770925 
1 1 1    6    1   13 o  192.764   1.4089 36072.55  527.131 36410.79  753.145 35747.75  738.035  193.650   2.0035  191.879   1.9815 1.770493 2.817857 
1 1 1    6    1   14 f  211.964   1.1616 43590.21  475.159 43917.74  712.795 43328.26  637.453  212.676   1.7266  211.251   1.5545 1.424332 2.323231 
1 1 1    6    1   15 o   92.655   0.7617  8333.29  136.997  8212.35  192.660  8456.99  194.845   91.975   1.0791   93.335   1.0754 -1.359978 1.523464 
1 1 1    6    1   16 o  161.204   1.0704 25236.18  334.956 25231.12  474.062 25241.22  473.338  161.188   1.5151  161.220   1.5125 -0.3240967E-01 2.140809 
1 1 1    6    1   17 o  189.239   1.0868 34779.02  399.236 34842.88  565.222 34715.46  563.990  189.413   1.5373  189.066   1.5367 0.3466034 2.173622 
1 1 1    6    1   18 o  156.095   1.0588 23668.95  320.825 23657.73  452.238 23680.32  455.208  156.058   1.4928  156.132   1.5019 -0.7368469E-01 2.117644 
1 1 1    6    1   19 o   54.441   0.8322  2911.58   83.295  2772.96  141.102  2985.73  103.193   53.429   1.3605   55.452   0.9587 -2.023426 1.664319 
1 1 1    6    1   20 o   88.279   0.9656  7524.27  157.998  7727.21  268.221  7416.44  195.520   89.173   1.5495   87.385   1.1526 1.788010 1.931209 
1 1 1    6    1   21 o   71.854   0.7762  5013.35  108.242  5140.74  154.534  4890.65  151.661   72.750   1.0943   70.958   1.1010 1.792007 1.552327 
1 1 1    6    1   22 o   20.660   1.3727  416.151   54.908  448.979   77.475  383.022   77.831   21.482   1.8579   19.837   2.0212 1.644896 2.745331 
1 1 1    6    1   23 o   56.526   0.9745  3164.64  101.042  3296.49  125.458  2921.23  170.462   58.249   1.1095   54.803   1.6023 3.445690 1.949000 
1 1 1    6    1   24 o   69.136   0.7998  4643.82  107.326  4707.16  153.265  4582.87  150.340   69.598   1.1344   68.673   1.1278 0.9244690 1.599639 
1 1 1    6    1   25 o   55.089   0.8144  2951.04   87.037  2917.09  124.825  2983.17  121.424   54.779   1.1739   55.400   1.1291 -0.6201630 1.628755 
1 1 1    6    1   26 o   89.764   0.8993  7838.67  156.700  7761.99  220.521  7916.87  222.709   89.321   1.2718   90.208   1.2718 -0.8867340 1.798647 
1 1 1    6    1   27 o   69.093   0.8203  4646.99  110.014  4706.64  155.653  4587.44  155.513   69.537   1.1531   68.649   1.1670 0.8885803 1.640598 
1 1 1    6    1   28 o   31.420   1.1511  963.759   70.135  1020.14  101.787  912.795   96.774   32.294   1.6237   30.546   1.6320 1.747507 2.302164 
1 1 1    6    1   29 o   51.843   0.8525  2624.16   85.773  2602.73  122.096  2645.04  120.522   51.630   1.2182   52.055   1.1927 -0.4243393 1.704900 
1 1 1    6    1   30 o   25.538   1.3708  657.902   66.752  556.222   98.514  744.219   90.766   23.619   2.1486   27.457   1.7030 -3.837278 2.741692 
1 1 1    6    1   31 o   33.257   1.0827  1091.53   69.894  1082.04   98.642  1101.09   99.048   33.111   1.5347   33.404   1.5275 -0.2928772 2.165320 
1 1 1    6    1   32 o   40.970   1.0029  1658.38   79.741  1611.07  111.567  1707.78  114.015   40.370   1.4237   41.569   1.4129 -1.199696 2.005818 
1 1 1    6    1   33 o   21.937   2.2900  562.030   83.797  436.472  146.217  623.438  102.256   19.189   4.0525   24.685   2.1340 -5.496027 4.580065 
1 1 1    6    2    0 o   76.239   0.6093  5641.79   90.164  5627.03  127.230  5656.68  127.794   76.139   0.8608   76.339   0.8624 -0.2003250 1.218500 
1 1 1    6    2    1 o  280.448   1.6430 76568.82  891.319 73911.24  1302.84 78907.05  1222.06  275.853   2.4330  285.042   2.2086 -9.188721 3.285972 
1 1 1    6    2    2 o   36.800   0.3614  1313.43   25.803  1369.90   37.035  1260.16   35.972   37.568   0.5078   36.032   0.5143 1.536163 0.7227700 
1 1 1    6    2    3 o   43.959   0.4923  1857.78   39.495  1824.17   48.026  1928.01   69.416   43.351   0.5707   44.567   0.8024 -1.215542 0.9846460 
1 1 1    6    2    4 o  139.964   0.8760 19029.56  237.566 18833.32  345.791 19204.99  326.940  139.279   1.2790  140.649   1.1975 -1.369934 1.752057 
1 1 1    6    2    5 o  134.422   0.8610 17552.88  224.371 17301.76  324.509 17782.88  310.566  133.499   1.2522  135.344   1.1821 -1.845123 1.722034 
1 1 1    6    2    6 o  143.197   0.8678 19906.27  241.233 19898.13  341.337 19914.40  340.974  143.168   1.2282  143.226   1.2264 -0.5854797E-01 1.735674 
1 1 1    6    2    7 o  335.026   1.2495 108971.70  812.623 108751.90  1146.67 109193.60  1151.79  334.687   1.7650  335.366   1.7692 -0.6787415 2.499068 
1 1 1    6    2    8 o  214.660   1.1014 44695.55  456.922 45107.60  680.234 44356.79  616.786  215.559   1.6257  213.761   1.4864 1.798157 2.202767 
1 1 1    6    2    9 o  171.403   0.9601 28516.93  319.452 28654.33  454.077 28382.27  449.504  171.811   1.3615  170.994   1.3542 0.8174896 1.920294 
1 1 1    6    2   10 o   91.332   0.7098  8096.43  125.845  7994.84  177.309  8199.54  178.642   90.755   1.0065   91.910   1.0013 -1.154556 1.419691 
1 1 1    6    2   11 o  269.412   1.2105 70465.84  631.381 70482.50  862.208 70446.59  927.140  269.449   1.6484  269.376   1.7731 0.7315063E-01 2.420958 
1 1 1    6    2   12 o  103.829   0.8009 10457.92  161.355 10250.44  224.184 10680.92  232.418  102.761   1.1239  104.897   1.1414 -2.135429 1.601836 
1 1 1    6    2   13 o  196.417   1.0552 37452.83  402.344 37481.22  569.091 37424.45  568.910  196.492   1.4920  196.343   1.4927 0.1488953 2.110487 
1 1 1    6    2   14 o  153.002   1.0535 22726.96  310.030 22732.78  471.454 22722.52  411.527  153.016   1.5872  152.988   1.3857 0.2850342E-01 2.107013 
1 1 1    6    2   15 o   90.363   0.8930  7925.29  150.896  7919.00  189.434  7936.21  249.598   90.318   1.0805   90.409   1.4222 -0.9130096E-01 1.786093 
1 1 1    6    2   16 o   82.362   0.7237  6586.40  115.692  6450.00  163.640  6722.72  163.586   81.509   1.0342   83.215   1.0127 -1.705788 1.447477 
1 1 1    6    2   17 o   77.326   0.7328  5806.34  109.970  5736.35  156.679  5874.29  154.387   76.867   1.0500   77.786   1.0225 -0.9192810 1.465608 
1 1 1    6    2   18 o  202.042   1.2255 39665.47  480.633 39674.12  680.333 39656.85  679.105  202.064   1.7345  202.020   1.7317 0.4362488E-01 2.450970 
1 1 1    6    2   19 o  138.461   1.0188 18624.46  273.836 18467.01  386.455 18783.25  388.077  137.873   1.4440  139.049   1.4378 -1.176041 2.037686 
1 1 1    6    2   20 o   55.420   0.6969  2982.37   74.974  3013.40  106.406  2951.78  105.657   55.706   0.9840   55.134   0.9872 0.5725517 1.393868 
1 1 1    6    2   21 o   59.107   0.7313  3391.81   83.892  3456.76  120.117  3329.96  117.218   59.659   1.0372   58.554   1.0313 1.104214 1.462633 
1 1 1    6    2   22 o   38.259   0.8442  1419.83   62.636  1507.17   90.476  1339.44   86.801   39.387   1.1833   37.130   1.2043 2.257004 1.688385 
1 1 1    6    2   23 o  110.014   1.0182 11767.03  217.433 11823.41  308.541 11711.40  306.461  110.276   1.4413  109.753   1.4385 0.5232086 2.036324 
1 1 1    6    2   24 o   45.839   0.8368  2042.68   74.430  2114.39  105.349  1971.21  105.171   46.644   1.1635   45.035   1.2031 1.608902 1.673652 
1 1 1    6    2   25 f   82.632   0.8596  6638.26  137.879  6659.10  196.084  6617.88  193.915   82.760   1.2205   82.505   1.2108 0.2554474 1.719225 
1 1 1    6    2   26 o   82.081   0.8563  6553.29  136.428  6549.76  193.744  6556.75  192.142   82.058   1.2163   82.103   1.2056 -0.4537201E-01 1.712547 
1 1 1    6    2   27 o  100.411   0.9655  9824.36  188.172  9681.75  264.914  9969.59  267.332   99.674   1.3692  101.147   1.3615 -1.473076 1.930914 
1 1 1    6    2   28 o   33.965   1.0611  1127.69   69.859  1118.14  101.343  1136.33   96.432   33.822   1.5436   34.109   1.4564 -0.2871590 2.122231 
1 1 1    6    2   29 o   80.009   0.8612  6250.12  133.747  6322.60  189.949  6178.86  188.355   80.470   1.2160   79.549   1.2198 0.9214478 1.722361 
1 1 1    6    2   30 o   54.085   0.8461  2864.92   88.780  2797.24  126.744  2930.12  124.398   53.448   1.2216   54.723   1.1711 -1.274269 1.692245 
1 1 1    6    2   31 f   12.963   2.4380  181.569   63.351  228.624   91.916  138.992   87.435   14.524   3.3311   11.401   3.5607 3.122302 4.875976 
1 1 1    6    2   32 o   29.824   1.2825  889.208   74.246  898.901  105.633  879.744  104.377   29.984   1.8149   29.663   1.8127 0.3201580 2.565070 
1 1 1    6    2   33 o   24.895   1.9657  687.238   87.022  755.590  107.932  560.262  147.107   27.233   2.0417   22.556   3.3597 4.676758 3.931435 
1 1 1    6    3    0 o  180.734   1.1452 31712.92  401.772 31896.12  569.348 31531.20  567.041  181.254   1.6182  180.214   1.6209 1.039902 2.290386 
1 1 1    6    3    1 o   84.679   0.6603  6953.39  108.392  6835.15  148.875  7086.78  158.120   83.914   0.9140   85.444   0.9533 -1.530228 1.320659 
1 1 1    6    3    2 f  201.529   1.2175 39432.04  476.238 39030.75  667.727 39847.52  679.429  200.486   1.7157  202.572   1.7278 -2.086166 2.434974 
1 1 1    6    3    3 o  128.781   0.8619 16099.84  215.467 16270.93  306.086 15931.78  303.365  129.459   1.2180  128.103   1.2199 1.356354 1.723889 
1 1 1    6    3    4 o  163.709   0.9445 26028.54  299.314 25899.95  439.514 26139.77  408.747  163.329   1.3863  164.088   1.2833 -0.7580566 1.889033 
1 1 1    6    3    5 o  218.814   1.0916 46472.78  461.570 46640.36  686.763 46334.73  623.353  219.171   1.6142  218.458   1.4699 0.7122955 2.183208 
1 1 1    6    3    6 o   43.933   0.4316  1872.72   36.799  1917.40   52.649  1830.04   51.456   44.446   0.6102   43.421   0.6105 1.024334 0.8631737 
1 1 1    6    3    7 o  155.289   0.9923 23442.37  296.509 23155.63  448.586 23664.85  395.135  154.443   1.4963  156.135   1.3037 -1.692734 1.984565 
1 1 1    6    3    8 f  184.562   0.9945 33063.25  356.277 33461.60  506.415 32672.87  501.327  185.663   1.4051  183.462   1.4077 2.201263 1.988972 
1 1 1    6    3    9 o  173.577   0.9639 29244.39  324.765 29006.86  456.883 29486.99  461.729  172.865   1.3615  174.290   1.3647 -1.424744 1.927777 
1 1 1    6    3   10 o  115.612   0.8843 12950.62  194.556 12855.09  251.029 13094.33  307.880  115.080   1.1237  116.143   1.3656 -1.063393 1.768502 
1 1 1    6    3   11 o  113.052   0.8159 12403.88  178.829 12363.28  246.536 12448.97  259.790  112.857   1.1253  113.247   1.1818 -0.3898697 1.631866 
1 1 1    6    3   12 o  315.121   1.2325 96406.56  753.948 96137.98  1064.66 96676.73  1067.83  314.681   1.7429  315.562   1.7432 -0.8804932 2.465074 
1 1 1    6    3   13 o  147.298   1.0296 21044.50  293.388 20850.83  397.805 21275.48  434.438  146.556   1.3983  148.039   1.5118 -1.482574 2.059299 
1 1 1    6    3   14 o  188.070   1.0546 34338.71  385.006 34006.06  542.708 34675.76  546.272  187.153   1.4938  188.987   1.4891 -1.834045 2.109230 
1 1 1    6    3   15 o  169.062   1.0947 27809.62  355.563 27350.28  540.830 28159.30  471.877  167.825   1.6601  170.300   1.4274 -2.474976 2.189406 
1 1 1    6    3   16 o  217.592   1.1908 46031.85  501.581 46654.36  686.840 45320.50  734.212  219.176   1.6143  216.008   1.7510 3.167740 2.381620 
1 1 1    6    3   17 o   82.842   0.7467  6651.64  119.890  6853.86  175.481  6474.63  164.182   84.020   1.0759   81.664   1.0357 2.356628 1.493408 
1 1 1    6    3   18 o   70.261   0.7140  4793.12   97.378  4825.76  138.237  4760.96  137.196   70.499   1.0101   70.024   1.0093 0.4749298 1.427973 
1 1 1    6    3   19 o  153.988   1.0506 23051.12  313.691 22724.51  452.614 23353.02  435.155  152.934   1.5246  155.042   1.4459 -2.108643 2.101186 
1 1 1    6    3   20 o   94.393   0.8243  8653.57  151.017  8677.50  215.223  8630.37  211.956   94.521   1.1730   94.265   1.1583 0.2562256 1.648527 
1 1 1    6    3   21 o   35.680   0.8555  1235.26   59.215  1281.00   85.548  1193.19   82.047   36.313   1.2136   35.046   1.2060 1.266464 1.710959 
1 1 1    6    3   22 o   89.743   0.8661  7824.88  150.872  7843.15  214.934  7807.13  211.829   89.846   1.2324   89.640   1.2174 0.2053604 1.732251 
1 1 1    6    3   23 o   41.749   0.8358  1694.26   67.669  1678.76   97.570  1708.63   93.932   41.563   1.2093   41.934   1.1539 -0.3704262 1.671531 
1 1 1    6    3   24 o   74.089   0.8101  5333.82  116.504  5269.40  163.610  5400.10  165.938   73.636   1.1446   74.543   1.1468 -0.9074707 1.620241 
1 1 1    6    3   25 o   60.853   0.8018  3599.55   94.701  3525.76  133.646  3673.97  134.210   60.226   1.1432   61.480   1.1246 -1.254284 1.603579 
1 1 1    6    3   26 o   38.871   0.9520  1471.21   71.771  1400.69  101.394  1542.02  101.606   37.935   1.3769   39.808   1.3149 -1.872719 1.903902 
1 1 1    6    3   27 o   43.245   0.8918  1820.91   74.660  1828.42  109.800  1814.45  101.822   43.323   1.3056   43.168   1.2151 0.1552162 1.783568 
1 1 1    6    3   28 o   57.188   0.8108  3185.12   89.983  3284.70  128.846  3090.31  125.721   58.061   1.1432   56.315   1.1501 1.745514 1.621585 
1 1 1    6    3   29 o   21.846   1.5298  473.224   64.682  436.013   92.064  509.496   90.894   20.977   2.2609   22.715   2.0614 -1.738152 3.059593 
1 1 1    6    3   30 o   57.781   0.8387  3267.72   94.065  3273.80  132.678  3261.58  133.381   57.837   1.1818   57.725   1.1903 0.1115799 1.677321 
1 1 1    6    3   31 o   33.951   1.0804  1147.67   70.450  975.583  100.864  1311.60   98.442   31.395   1.6550   36.507   1.3891 -5.112158 2.160749 
1 1 1    6    3   32 o   30.941   1.1870  947.968   71.045  1016.84  106.047  891.887   95.695   31.940   1.7104   29.942   1.6464 1.997931 2.374039 
1 1 1    6    3   33 o   14.929   2.7420  277.225   81.932  326.083  103.896  196.869  133.241   17.085   3.2514   12.773   4.4162 4.312508 5.484033 
1 1 1    6    4    0 o  188.179   1.1586 34381.21  423.238 34304.61  597.815 34458.18  599.286  187.969   1.6384  188.389   1.6387 -0.4202576 2.317283 
1 1 1    6    4    1 o  176.879   1.0781 30388.08  368.132 30494.69  495.781 30257.08  549.603  177.228   1.4411  176.530   1.6039 0.6979218 2.156184 
1 1 1    6    4    2 o   81.368   0.6143  6426.67   97.022  6450.28  137.538  6403.28  136.885   81.516   0.8692   81.219   0.8682 0.2975235 1.228535 
1 1 1    6    4    3 o  184.260   1.0583 32966.23  378.535 33049.29  534.855 32882.86  535.805  184.492   1.4935  184.027   1.4999 0.4654388 2.116621 
1 1 1    6    4    4 o   67.273   0.6402  4403.30   80.912  4352.45  131.896  4433.98  102.455   66.960   1.0147   67.586   0.7809 -0.6264648 1.280443 
1 1 1    6    4    5 o  214.031   1.0728 44485.78  444.073 44372.34  656.587 44581.41  602.875  213.777   1.5822  214.286   1.4493 -0.5092316 2.145689 
1 1 1    6    4    6 o  196.125   1.1242 37391.70  419.601 37108.05  660.971 37583.17  543.063  195.495   1.7417  196.755   1.4219 -1.259705 2.248409 
1 1 1    6    4    7 o   28.661   0.5609  793.754   29.649  786.019   36.519  808.713   50.786   28.457   0.6611   28.865   0.9064 -0.4073963 1.121864 
1 1 1    6    4    8 f  146.468   0.8940 20824.04  254.186 20786.61  358.562 20861.86  360.392  146.336   1.2623  146.600   1.2664 -0.2646027 1.788042 
1 1 1    6    4    9 o  304.081   1.2206 89792.37  719.636 90400.27  995.708 89127.57  1041.26  305.160   1.6809  303.002   1.7703 2.158661 2.441178 
1 1 1    6    4   10 o  229.591   1.0969 51170.75  488.838 51419.93  691.898 50922.41  690.747  230.149   1.5487  229.033   1.5537 1.116241 2.193701 
1 1 1    6    4   11 f  200.642   1.0547 39077.40  410.767 38653.01  578.410 39509.20  583.447  199.543   1.4933  201.741   1.4899 -2.197983 2.109378 
1 1 1    6    4   12 o  109.380   0.8012 11611.85  170.113 11448.39  238.984 11779.74  242.200  108.600   1.1336  110.160   1.1326 -1.560379 1.602490 
1 1 1    6    4   13 o  104.712   0.7906 10638.37  160.559 10527.89  222.032 10759.48  232.458  104.143   1.0983  105.281   1.1374 -1.138779 1.581148 
1 1 1    6    4   14 o  248.438   1.3124 59810.95  618.918 59353.84  794.500 60516.52  987.076  247.245   1.6554  249.632   2.0370 -2.386551 2.624804 
1 1 1    6    4   15 o   59.369   0.6406  3421.05   73.801  3442.22  105.769  3400.97  103.025   59.548   0.9150   59.190   0.8967 0.3576775 1.281109 
1 1 1    6    4   16 o  135.774   1.0718 17886.81  281.324 18068.24  418.243 17736.89  380.181  136.399   1.5796  135.149   1.4491 1.250122 2.143649 
1 1 1    6    4   17 o   64.436   0.6691  4029.44   83.646  4069.99  120.531  3991.77  116.176   64.748   0.9590   64.123   0.9333 0.6248016 1.338185 
1 1 1    6    4   18 o  119.491   0.9334 13875.67  216.308 13652.83  311.303 14083.68  300.779  118.560   1.3526  120.421   1.2867 -1.860291 1.866880 
1 1 1    6    4   19 o   85.996   0.7849  7183.57  130.967  7111.79  187.379  7252.13  183.125   85.575   1.1280   86.417   1.0917 -0.8418274 1.569742 
1 1 1    6    4   20 o   61.470   0.6981  3669.24   83.275  3669.03  119.125  3669.44  116.456   61.468   0.9984   61.472   0.9759 -0.4173279E-02 1.396136 
1 1 1    6    4   21 o   62.919   0.7327  3845.22   89.481  3776.98  126.579  3913.39  126.512   62.360   1.0457   63.477   1.0267 -1.116856 1.465450 
1 1 1    6    4   22 o   60.582   0.7490  3565.16   88.025  3559.75  126.686  3570.22  122.397   60.536   1.0781   60.627   1.0400 -0.9061432E-01 1.497957 
1 1 1    6    4   23 o   56.052   0.7466  3049.55   81.195  3132.50  117.238  2973.09  112.558   56.783   1.0636   55.320   1.0482 1.462925 1.493285 
1 1 1    6    4   24 o   20.345   1.5691  406.197   61.294  336.094   86.343  477.414   87.027   18.556   2.3970   22.134   2.0255 -3.577539 3.138193 
1 1 1    6    4   25 o   26.331   1.2448  675.291   63.625  678.892   90.404  671.756   89.560   26.400   1.7641   26.261   1.7569 0.1387386 2.489688 
1 1 1    6    4   26 o   32.763   1.0663  1041.68   67.463  1199.72   98.445  901.732   92.635   35.102   1.4447   30.424   1.5685 4.678659 2.132510 
1 1 1    6    4   27 o   51.128   0.8305  2540.65   82.357  2682.21  119.140  2411.10  113.974   52.490   1.1693   49.766   1.1798 2.724831 1.661056 
1 1 1    6    4   28 o   47.572   0.8275  2201.78   76.345  2295.60  110.965  2117.45  105.203   48.531   1.1779   46.613   1.1627 1.918774 1.655052 
1 1 1    6    4   29 o   43.300   0.8922  1833.77   74.882  1720.84  106.024  1946.17  105.776   41.959   1.3017   44.641   1.2206 -2.681438 1.784481 
1 1 1    6    4   30 o   46.677   0.8938  2136.12   80.942  2070.18  115.019  2200.82  113.927   45.954   1.2894   47.400   1.2382 -1.446060 1.787624 
1 1 1    6    4   31 o   41.404   0.9441  1683.52   75.690  1712.44  111.403  1658.72  103.156   41.717   1.3757   41.090   1.2933 0.6271820 1.888136 
1 1 1    6    4   32 o   46.329   0.9069  2106.34   81.391  2265.89  119.746  1969.34  110.962   47.951   1.2865   44.708   1.2786 3.243710 1.813772 
1 1 1    6    4   33 o   12.663   3.0972  190.284   91.327  209.298  144.371  177.598  117.919   13.065   4.5924   12.260   4.1569 0.8046818 6.194330 
1 1 1    6    5    0 o   56.168   0.4767  3060.99   51.963  3176.49   74.249  2950.12   72.747   57.206   0.6686   55.130   0.6798 2.076145 0.9534897 
1 1 1    6    5    1 o  130.939   0.9101 16662.26  230.853 16935.13  317.861 16357.65  335.832  132.077   1.2398  129.803   1.3328 2.273819 1.820300 
1 1 1    6    5    2 o   31.592   1.0171  848.593   27.032  1111.17  129.715  836.672   27.639   33.824   1.9756   29.360   0.4850 4.464497 2.034246 
1 1 1    6    5    3 o   55.029   0.4702  2935.96   50.190  2847.18   69.459  3032.96   72.606   54.159   0.6607   55.898   0.6691 -1.738979 0.9403304 
1 1 1    6    5    4 o   57.829   0.4905  3245.67   55.058  3222.26   77.156  3269.96   78.590   57.617   0.6899   58.041   0.6975 -0.4248924 0.9810486 
1 1 1    6    5    5 o  148.956   1.0093 21529.41  284.470 21596.75  456.788 21486.75  363.580  149.141   1.5778  148.771   1.2590 0.3706055 2.018528 
1 1 1    6    5    6 o  154.166   0.9787 23104.75  289.569 22859.84  442.996 23287.46  382.628  153.449   1.4872  154.883   1.2726 -1.433807 1.957398 
1 1 1    6    5    7 o  161.291   0.9615 25267.46  300.420 25028.65  438.108 25479.42  412.742  160.570   1.4056  162.012   1.3124 -1.441193 1.923023 
1 1 1    6    5    8 o  152.217   0.9770 22468.87  285.778 22333.94  377.746 22649.44  436.999  151.684   1.2829  152.749   1.4738 -1.064941 1.953945 
1 1 1    6    5    9 o  100.861   0.7385  9873.94  144.581  9958.03  205.239  9791.10  203.705  101.287   1.0439  100.435   1.0448 0.8525391 1.476938 
1 1 1    6    5   10 o  268.893   1.1538 70191.13  602.252 70193.37  851.913 70188.88  851.513  268.898   1.6321  268.889   1.6314 0.8575439E-02 2.307612 
1 1 1    6    5   11 o  375.806   1.3472 137115.09  982.767 137358.09  1393.25 136874.41  1386.46  376.138   1.9082  375.475   1.9022 0.6625061 2.694358 
1 1 1    6    5   12 o  126.632   0.9449 15572.30  231.746 15481.78  338.762 15651.93  317.726  126.286   1.3819  126.979   1.2890 -0.6935577 1.889753 
1 1 1    6    5   13 o  114.423   0.8286 12704.92  184.017 12939.28  263.387 12481.44  257.202  115.454   1.1752  113.393   1.1685 2.060913 1.657261 
1 1 1    6    5   14 o  115.025   0.8492 12841.13  189.597 13022.38  270.926 12667.17  265.420  115.820   1.2050  114.230   1.1970 1.590416 1.698492 
1 1 1    6    5   15 o  143.927   1.0013 20119.18  278.039 20166.74  373.322 20059.94  416.651  144.121   1.3344  143.733   1.4933 0.3882446 2.002662 
1 1 1    6    5   16 o  139.608   0.9820 18925.82  266.121 18937.60  377.575 18914.21  375.141  139.651   1.3928  139.565   1.3847 0.8587646E-01 1.964003 
1 1 1    6    5   17 f  127.767   1.0009 15850.93  248.224 16078.89  353.255 15628.61  348.869  128.675   1.4143  126.860   1.4167 1.814659 2.001781 
1 1 1    6    5   18 o  115.133   0.8692 12872.64  194.256 12937.37  276.623 12809.66  272.854  115.418   1.2347  114.848   1.2239 0.5704727 1.738476 
1 1 1    6    5   19 o  164.691   1.0547 26351.53  337.165 26445.06  479.460 26260.02  474.230  164.980   1.4971  164.403   1.4860 0.5769501 2.109388 
1 1 1    6    5   20 o   68.691   0.7115  4580.77   94.821  4620.75  136.633  4543.62  131.697   68.980   1.0204   68.402   0.9918 0.5771332 1.423005 
1 1 1    6    5   21 o   58.783   0.7267  3356.48   82.881  3341.97  119.010  3370.15  115.491   58.659   1.0452   58.907   1.0100 -0.2481766 1.453415 
1 1 1    6    5   22 o  174.810   1.5218 29751.10  516.351 30108.50  737.143 29406.81  723.510  175.838   2.1596  173.781   2.1448 2.057159 3.043654 
1 1 1    6    5   23 o   11.942   2.3262  143.435   55.571  153.473   81.580  134.745   75.905   12.313   3.3321   11.571   3.2470 0.7414389 4.652456 
1 1 1    6    5   24 o   77.007   0.8183  5759.77  122.288  5918.62  175.637  5610.31  170.367   78.037   1.1594   75.978   1.1551 2.059349 1.636662 
1 1 1    6    5   25 o   22.576   1.4241  502.757   61.681  432.523   89.609  565.999   85.032   21.051   2.1929   24.102   1.8175 -3.051178 2.848148 
1 1 1    6    5   26 o   88.291   0.8863  7586.14  151.858  7484.74  216.271  7684.76  213.279   87.706   1.2703   88.876   1.2362 -1.170021 1.772535 
1 1 1    6    5   27 o   47.448   0.8396  2180.95   77.068  2322.75  114.871  2064.87  103.931   48.840   1.2116   46.055   1.1625 2.785027 1.679125 
1 1 1    6    5   28 o   24.730   1.3074  600.063   62.655  594.598   91.093  604.970   86.316   24.615   1.9064   24.845   1.7897 -0.2299423 2.614889 
1 1 1    6    5   29 o   32.513   1.0571  1039.61   66.455  971.637   96.165  1101.75   91.940   31.475   1.5739   33.551   1.4117 -2.075283 2.114252 
1 1 1    6    5   30 o   65.777   0.8237  4234.42  105.151  4206.27  149.814  4261.76  147.622   65.555   1.1773   65.998   1.1523 -0.4426270 1.647342 
1 1 1    6    5   31 o   13.480   2.4051  202.401   64.650  139.789   95.188  256.015   88.082   11.461   3.7308   15.499   3.0362 -4.038721 4.810141 
1 1 1    6    5   32 f   30.386   1.2322  919.917   72.442  940.731  107.364  902.523   98.151   30.671   1.8033   30.101   1.6798 0.5706940 2.464451 
1 1 1    6    5   33 o   22.073   2.4345  557.471   98.031  436.296  144.951  659.615  133.082   19.190   4.0199   24.957   2.7471 -5.766672 4.868903 
1 1 1    6    6    0 o  194.952   1.1451 36922.34  430.651 37077.21  578.334 36729.59  645.201  195.415   1.5246  194.488   1.7090 0.9270477 2.290195 
1 1 1    6    6    1 o   79.502   0.6215  6133.21   95.897  6028.46  133.941  6243.37  137.362   78.806   0.8756   80.198   0.8823 -1.392258 1.243037 
1 1 1    6    6    2 o   13.559   0.4843  179.750   12.639  203.621   17.707  154.952   18.047   14.484   0.6298   12.635   0.7358 1.849096 0.9685474 
1 1 1    6    6    3 o   70.458   0.5692  4818.64   77.853  4867.09  110.420  4770.74  109.784   70.810   0.8033   70.105   0.8067 0.7044296 1.138473 
1 1 1    6    6    4 o  122.116   0.9373 14455.52  218.020 14590.44  343.901 14364.86  281.912  122.589   1.4452  121.643   1.1939 0.9454575 1.874528 
1 1 1    6    6    5 o  210.902   1.1910 43201.35  484.727 43073.86  725.484 43304.15  651.485  210.616   1.7745  211.188   1.5892 -0.5717010 2.382068 
1 1 1    6    6    6 f  228.105   1.1153 50538.14  491.921 50248.03  727.311 50782.75  667.850  227.499   1.6469  228.712   1.5043 -1.212708 2.230516 
1 1 1    6    6    7 o  270.685   1.2312 71147.88  646.588 70621.07  927.563 71645.84  901.808  269.708   1.7717  271.661   1.7101 -1.952148 2.462373 
1 1 1    6    6    8 o  540.928   1.6361 284446.00  1707.96 280758.81  2548.08 287454.19  2301.53  537.731   2.4411  544.126   2.1790 -6.395508 3.272126 
1 1 1    6    6    9 o  195.773   1.0213 37204.87  388.114 37189.66  548.976 37220.08  548.776  195.733   1.4449  195.813   1.4437 -0.8006287E-01 2.042543 
1 1 1    6    6   10 o  180.900   0.9987 31767.12  350.699 31732.78  495.253 31801.65  496.676  180.802   1.4111  180.998   1.4136 -0.1960449 1.997383 
1 1 1    6    6   11 o  198.663   1.2942 38095.54  469.164 37677.20  571.405 38961.06  821.907  197.008   1.4942  200.318   2.1137 -3.310623 2.588454 
1 1 1    6    6   12 f   41.491   0.5843  1672.00   47.035  1619.08   66.887  1723.78   66.154   40.841   0.8437   42.141   0.8087 -1.299957 1.168656 
1 1 1    6    6   13 o  287.995   1.2130 80524.11  678.112 80863.00  961.751 80189.08  956.262  288.597   1.7167  287.392   1.7141 1.204987 2.425974 
1 1 1    6    6   14 o  221.807   1.1203 47768.02  482.372 47531.23  682.289 48004.65  682.065  221.257   1.5886  222.357   1.5802 -1.099579 2.240664 
1 1 1    6    6   15 o  114.676   0.8798 12767.04  195.841 12715.71  275.093 12819.78  278.867  114.442   1.2383  114.910   1.2502 -0.4670334 1.759652 
1 1 1    6    6   16 o   72.143   0.6868  5052.63   96.174  5046.36  135.875  5058.93  136.148   72.098   0.9708   72.188   0.9716 -0.8977509E-01 1.373511 
1 1 1    6    6   17 o  151.402   1.0364 22264.69  303.900 22215.26  444.696 22308.02  416.271  151.241   1.5147  151.562   1.4149 -0.3215942 2.072732 
1 1 1    6    6   18 o   77.210   0.8388  5757.06  119.586  5893.34  204.540  5686.27  147.404   77.894   1.3527   76.526   0.9923 1.367661 1.677645 
1 1 1    6    6   19 o  131.867   1.0408 16894.47  266.433 16811.78  375.981 16977.88  377.610  131.543   1.4724  132.192   1.4715 -0.6482849 2.081698 
1 1 1    6    6   20 o  123.147   1.0073 14735.31  240.798 14722.11  341.257 14748.40  339.826  123.092   1.4282  123.202   1.4209 -0.1105499 2.014644 
1 1 1    6    6   21 o   97.508   0.9117  9234.12  172.508  9362.15  248.025  9114.14  240.096   98.161   1.3016   96.854   1.2770 1.307014 1.823473 
1 1 1    6    6   22 o  138.952   1.2295 18778.18  331.597 18929.99  472.507 18630.85  465.469  139.504   1.7448  138.400   1.7326 1.104568 2.458915 
1 1 1    6    6   23 o   78.556   0.8121  5996.99  123.823  5952.34  175.836  6040.92  174.398   78.266   1.1574   78.847   1.1394 -0.5816269 1.624135 
1 1 1    6    6   24 o   40.151   0.8896  1570.64   69.178  1495.14   99.598  1641.02   96.159   39.214   1.3084   41.088   1.2056 -1.873974 1.779178 
1 1 1    6    6   25 o   57.837   0.7927  3252.04   88.872  3242.31  129.007  3260.84  122.605   57.752   1.1508   57.922   1.0904 -0.1694565 1.585338 
1 1 1    6    6   26 o   28.218   1.2041  777.906   65.322  765.105   99.085  787.747   86.873   28.003   1.8228   28.433   1.5739 -0.4301624 2.408277 
1 1 1    6    6   27 f   22.245   1.4471  487.186   62.114  457.743   91.223  512.637   84.811   21.602   2.1754   22.889   1.9088 -1.286350 2.894154 
1 1 1    6    6   28 o   31.667   1.0246  981.339   62.869  932.683   89.999  1027.71   87.860   30.892   1.5008   32.443   1.3951 -1.550776 2.049103 
1 1 1    6    6   29 o   19.052   1.6459  357.423   60.437  423.245   89.753  302.818   81.748   20.659   2.2380   17.444   2.4141 3.214857 3.291896 
1 1 1    6    6   30 o   52.106   0.8327  2657.64   84.221  2661.66  119.105  2653.61  119.108   52.146   1.1766   52.066   1.1785 0.7958603E-01 1.665318 
1 1 1    6    6   31 o   21.350   1.6159  467.365   65.724  392.377   96.771  531.570   89.544   19.639   2.5384   23.060   2.0003 -3.421091 3.231809 
1 1 1    6    6   32 o   47.366   0.8959  2208.02   82.078  2237.76  121.644  2183.16  111.207   47.630   1.3157   47.101   1.2163 0.5298157 1.791741 
1 1 1    6    6   33 o   15.843   3.0924  306.371   99.359  388.492  148.167  239.264  133.938   17.798   4.3299   13.887   4.4164 3.911202 6.184862 
1 1 1    6    7    0 o  220.749   1.2028 47260.25  510.993 46874.06  678.322 47766.95  776.992  219.714   1.5904  221.784   1.8048 -2.069473 2.405544 
1 1 1    6    7    1 o   95.202   0.7041  8798.26  130.125  8787.79  183.231  8808.92  184.829   95.145   0.9921   95.259   0.9995 -0.1141663 1.408296 
1 1 1    6    7    2 f   54.049   0.4664  2835.42   48.929  2894.80   69.503  2777.08   68.893   54.610   0.6556   53.488   0.6635 1.121929 0.9327928 
1 1 1    6    7    3 o   67.459   0.6555  4442.99   83.577  4302.75  133.398  4533.61  107.232   66.576   1.0322   68.341   0.8083 -1.764954 1.311033 
1 1 1    6    7    4 o   24.165   0.5543  567.133   25.985  555.196   37.156  578.560   36.355   23.916   0.8004   24.414   0.7671 -0.4981194 1.108612 
1 1 1    6    7    5 o  216.802   1.1407 45637.13  480.079 45938.06  679.348 45336.93  678.520  217.516   1.6089  216.088   1.6176 1.428284 2.281492 
1 1 1    6    7    6 o  173.568   1.1171 29262.25  373.080 29364.53  496.373 29129.45  565.611  173.919   1.4703  173.216   1.6822 0.7032623 2.234123 
1 1 1    6    7    7 o  154.104   0.9330 23055.86  278.573 23002.31  406.446 23103.29  382.561  153.935   1.3602  154.274   1.2774 -0.3387909 1.866012 
1 1 1    6    7    8 o  338.607   1.3604 111261.80  886.918 111678.10  1343.99 110940.70  1180.44  339.163   2.0414  338.052   1.7989 1.111572 2.720867 
1 1 1    6    7    9 o  348.349   1.3868 117571.20  928.826 119495.70  1420.15 116132.70  1227.85  350.829   2.0853  345.869   1.8288 4.960419 2.773646 
1 1 1    6    7   10 o  110.499   0.8150 11854.83  174.762 12013.57  245.454 11691.61  248.883  111.249   1.1366  109.748   1.1682 1.501175 1.629925 
1 1 1    6    7   11 o  499.067   1.5166 241815.80  1469.12 243012.50  2093.23 240654.00  2062.41  500.283   2.1554  497.851   2.1341 2.431763 3.033183 
1 1 1    6    7   12 o   42.989   0.8185  1792.15   68.260  1844.22   98.677  1744.37   94.525   43.587   1.1663   42.391   1.1487 1.196236 1.636966 
1 1 1    6    7   13 o  263.194   1.2453 67351.55  633.741 68399.67  862.696 66122.93  934.040  265.426   1.6744  260.963   1.8438 4.463257 2.490623 
1 1 1    6    7   14 o   89.537   0.8596  7787.95  144.550  7762.26  236.270  7803.31  182.740   89.417   1.3612   89.658   1.0500 -0.2408600 1.719107 
1 1 1    6    7   15 o   91.645   0.7488  8153.15  133.175  8131.60  186.351  8175.64  190.389   91.521   1.0489   91.768   1.0688 -0.2471085 1.497503 
1 1 1    6    7   16 f  152.855   0.9923 22685.18  294.420 22455.08  413.302 22922.24  419.513  152.068   1.4001  153.642   1.4066 -1.573380 1.984656 
1 1 1    6    7   17 o  309.865   1.7270 93505.34  993.809 93879.65  1238.26 92827.78  1665.97  310.816   2.0523  308.914   2.7782 1.902405 3.454039 
1 1 1    6    7   18 o  139.936   0.9940 19003.54  269.664 18689.16  370.777 19356.57  392.909  138.710   1.3770  141.161   1.4339 -2.450409 1.988010 
1 1 1    6    7   19 o   92.241   1.0912  8267.16  195.141  8273.70  283.169  8261.24  269.296   92.273   1.5809   92.209   1.5045 0.6434631E-01 2.182387 
1 1 1    6    7   20 o   72.569   0.7382  5105.64  103.857  5283.66  151.561  4948.05  142.601   73.759   1.0585   71.379   1.0292 2.379784 1.476379 
1 1 1    6    7   21 o  128.988   1.1453 16174.95  286.755 16188.29  407.079 16161.81  404.004  129.040   1.6251  128.936   1.6142 0.1041260 2.290550 
1 1 1    6    7   22 o  134.815   1.1961 17676.72  313.028 17690.97  443.815 17662.62  441.570  134.868   1.6952  134.761   1.6880 0.1069336 2.392297 
1 1 1    6    7   23 o  148.675   1.3093 21518.03  377.862 21703.77  537.890 21337.06  530.933  149.307   1.8559  148.042   1.8475 1.264694 2.618697 
1 1 1    6    7   24 o   50.415   0.7864  2470.09   76.961  2496.59  109.176  2443.92  108.505   50.684   1.1097   50.146   1.1147 0.5378265 1.572844 
1 1 1    6    7   25 o   30.874   1.0568  923.777   63.015  964.413   94.801  891.611   84.346   31.476   1.5515   30.271   1.4354 1.205050 2.113670 
1 1 1    6    7   26 o   69.098   0.8111  4645.75  108.702  4599.27  156.515  4689.06  151.086   68.761   1.1726   69.436   1.1209 -0.6746292 1.622174 
1 1 1    6    7   27 o   58.433   0.7943  3317.80   89.965  3424.81  131.569  3223.82  123.293   59.313   1.1427   57.552   1.1036 1.760983 1.588617 
1 1 1    6    7   28 o   27.465   1.2378  735.802   65.525  866.529   95.998  621.771   89.658   29.751   1.6622   25.178   1.8344 4.573092 2.475511 
1 1 1    6    7   29 o   22.458   1.4690  505.059   63.179  426.823   91.527  576.265   87.319   20.734   2.2741   24.181   1.8602 -3.447760 2.937996 
1 1 1    6    7   30 o   27.940   1.1787  769.766   63.886  797.058   92.481  744.855   88.356   28.410   1.6769   27.470   1.6570 0.9405460 2.357452 
1 1 1    6    7   31 o   38.290   0.9846  1434.71   72.757  1526.74  110.170  1363.52   96.892   39.352   1.4422   37.228   1.3408 2.123669 1.969172 
1 1 1    6    7   32 o   33.030   1.1254  1078.70   71.951  1161.66  106.809  1009.78   97.355   34.177   1.6099   31.882   1.5731 2.295177 2.250876 
1 1 1    6    7   33 o   23.503   2.2676  605.633  102.659  576.832  151.900  629.847  139.281   22.795   3.4328   24.210   2.9637 -1.415091 4.535169 
1 1 1    6    8    0 o  256.374   1.3644 63747.60  674.680 63075.88  902.235 64599.69  1016.18  254.852   1.8238  257.895   2.0298 -3.042267 2.728797 
1 1 1    6    8    1 o  304.772   1.4678 90216.18  868.276 89805.00  1218.17 90640.82  1237.93  304.068   2.0638  305.477   2.0876 -1.409058 2.935558 
1 1 1    6    8    2 o  123.381   0.9205 14749.77  216.623 14936.17  340.604 14623.16  280.711  124.031   1.4147  122.730   1.1783 1.300186 1.841087 
1 1 1    6    8    3 o  157.585   1.0212 24127.24  311.438 23881.24  457.324 24339.99  425.297  156.833   1.5022  158.337   1.3837 -1.503189 2.042350 
1 1 1    6    8    4 o  187.393   1.0642 34084.62  387.042 33605.18  540.922 34587.57  554.032  186.044   1.4978  188.743   1.5122 -2.699188 2.128391 
1 1 1    6    8    5 o  299.068   1.5101 86931.84  865.107 87306.72  1136.33 86414.98  1334.26  299.849   1.9522  298.287   2.3043 1.562988 3.020125 
1 1 1    6    8    6 o  162.503   0.9944 25622.10  313.601 24964.44  437.862 26314.76  449.359  160.363   1.4066  164.643   1.4060 -4.279892 1.988802 
1 1 1    6    8    7 o  209.845   1.0742 42801.16  436.180 42025.66  639.859 43474.37  596.159  208.065   1.5842  211.624   1.4512 -3.558990 2.148447 
1 1 1    6    8    8 o  373.059   1.4408 135159.91  1026.68 134861.91  1600.80 135368.09  1338.14  372.701   2.2126  373.417   1.8460 -0.7163391 2.881606 
1 1 1    6    8    9 o   76.501   0.6282  5680.78   93.246  5675.70  133.889  5685.56  129.938   76.468   0.9020   76.535   0.8746 -0.6655884E-01 1.256393 
1 1 1    6    8   10 o  297.878   1.1923 86136.63  689.430 85587.19  970.958 86695.30  979.096  296.920   1.6846  298.835   1.6878 -1.915833 2.384665 
1 1 1    6    8   11 o   88.542   0.8092  7633.90  136.897  7749.79  179.194  7471.44  212.156   89.353   1.0331   87.732   1.2458 1.621056 1.618406 
1 1 1    6    8   12 o  155.884   0.9561 23588.93  289.299 23650.04  410.371 23528.55  407.902  156.085   1.3544  155.683   1.3497 0.4013062 1.912125 
1 1 1    6    8   13 o  156.351   1.0635 23761.28  321.992 23290.43  469.500 24179.41  442.436  154.885   1.5616  157.817   1.4442 -2.931473 2.127030 
1 1 1    6    8   14 o  221.219   1.1259 47514.95  483.493 47745.96  685.846 47286.73  681.696  221.754   1.5933  220.685   1.5913 1.068924 2.251839 
1 1 1    6    8   15 o  164.922   1.0736 26411.40  343.703 26520.78  488.327 26304.01  483.844  165.260   1.5222  164.583   1.5144 0.6763458 2.147256 
1 1 1    6    8   16 o   81.106   0.7325  6385.31  115.304  6445.78  164.742  6327.25  161.438   81.483   1.0415   80.730   1.0302 0.7524414 1.464932 
1 1 1    6    8   17 o  155.648   1.1187 23578.21  333.572 23827.82  438.982 23237.14  513.136  156.635   1.4438  154.662   1.7092 1.973083 2.237333 
1 1 1    6    8   18 o   59.655   0.6714  3457.52   77.688  3327.25  110.299  3585.77  109.442   58.538   0.9707   60.771   0.9277 -2.232647 1.342710 
1 1 1    6    8   19 o  104.934   0.8749 10698.97  178.047 10601.21  256.626 10789.70  247.230  104.470   1.2654  105.398   1.2084 -0.9282455 1.749722 
1 1 1    6    8   20 o   94.438   0.9744  8682.40  170.949  8607.76  286.251  8723.77  213.128   94.107   1.5670   94.769   1.1585 -0.6623383 1.948742 
1 1 1    6    8   21 o   40.288   0.7546  1580.12   58.624  1543.09   87.525  1610.24   78.950   39.857   1.1313   40.718   0.9988 -0.8616638 1.509120 
1 1 1    6    8   22 o  106.331   0.9794 10987.18  202.120 11095.07  288.884 10883.72  282.891  106.842   1.3929  105.821   1.3772 1.020859 1.958752 
1 1 1    6    8   23 o   76.956   0.8111  5756.83  121.099  5684.36  173.355  5825.89  169.239   76.481   1.1677   77.430   1.1260 -0.9496918 1.622110 
1 1 1    6    8   24 o   32.199   1.0363  1012.67   64.369  967.346   95.254  1050.76   87.326   31.528   1.5564   32.869   1.3686 -1.341114 2.072576 
1 1 1    6    8   25 o   22.982   1.4034  519.691   61.608  486.725   94.279  544.260   81.390   22.329   2.1751   23.635   1.7740 -1.305660 2.806808 
1 1 1    6    8   26 o   71.703   0.8148  5002.98  113.345  4942.73  162.585  5059.95  158.098   71.279   1.1750   72.126   1.1292 -0.8465805 1.629658 
1 1 1    6    8   27 o   65.041   0.7906  4116.14   99.697  4151.56  144.861  4084.26  137.420   65.302   1.1428   64.779   1.0928 0.5230331 1.581200 
1 1 1    6    8   28 o   62.570   0.8012  3811.62   97.197  3886.36  141.596  3745.02  133.660   63.145   1.1552   61.996   1.1106 1.148914 1.602488 
1 1 1    6    8   29 o   15.095   2.1270  232.577   61.021  304.448   90.240  172.029   82.828   17.430   2.6672   12.761   3.3141 4.668398 4.254059 
1 1 1    6    8   30 o   37.385   0.9621  1378.09   69.407  1307.04  102.255  1438.79   94.513   36.460   1.4448   38.309   1.2709 -1.849171 1.924219 
1 1 1    6    8   31 o   18.631   1.8149  348.575   65.090  415.759   98.839  297.129   86.492   20.208   2.5197   17.053   2.6128 3.154493 3.629798 
1 1 1    6    8   32 o   12.545   2.0190  168.248   64.567 -43.6495   97.126  336.045   86.430   7.0050   3.2007   18.086   2.4618 -11.08092 4.037940 
1 1 1    6    8   33 o   27.821   1.8527  816.328   99.671  783.024  145.241  845.971  137.028   27.171   2.7537   28.472   2.4793 -1.300867 3.705420 
1 1 1    6    9    0 o   50.123   0.4358  2438.52   42.399  2434.12   59.387  2443.10   60.552   50.077   0.6109   50.169   0.6218 -0.9217834E-01 0.8716785 
1 1 1    6    9    1 o   62.608   0.5139  3804.87   62.459  3800.11   88.366  3809.62   88.295   62.569   0.7275   62.648   0.7260 -0.7824707E-01 1.027847 
1 1 1    6    9    2 o  187.958   1.1045 34258.89  400.688 34698.30  601.294 33907.91  537.392  189.037   1.6386  186.879   1.4814 2.158371 2.208964 
1 1 1    6    9    3 o   55.801   0.5710  3019.26   59.408  3034.09   99.027  3010.92   74.254   55.908   0.9125   55.695   0.6868 0.2125282 1.142065 
1 1 1    6    9    4 o   37.943   0.4106  1395.14   30.195  1360.16   41.333  1435.17   44.216   37.434   0.5688   38.452   0.5924 -1.018364 0.8212436 
1 1 1    6    9    5 o  287.726   1.3225 80406.62  736.714 80722.27  1007.34 80043.63  1080.22  288.338   1.7997  287.115   1.9382 1.222748 2.644907 
1 1 1    6    9    6 o  521.449   1.7224 263997.81  1743.03 266143.81  2495.33 261953.00  2435.78  523.516   2.4555  519.382   2.4159 4.133789 3.444710 
1 1 1    6    9    7 o  232.845   1.1363 52645.00  511.368 52487.68  758.784 52775.91  692.166  232.524   1.6811  233.166   1.5293 -0.6415405 2.272576 
1 1 1    6    9    8 o  188.599   1.0416 34541.34  380.258 34349.96  558.500 34706.72  519.182  188.111   1.5295  189.087   1.4145 -0.9763489 2.083273 
1 1 1    6    9    9 o  320.818   1.2855 99877.36  795.690 100306.60  1194.27 99534.75  1067.01  321.433   1.9140  320.202   1.7166 1.230927 2.571049 
1 1 1    6    9   10 o  125.403   0.8724 15264.32  212.082 15280.76  308.097 15249.51  292.378  125.466   1.2650  125.339   1.2017 0.1276169 1.744797 
1 1 1    6    9   11 o  108.413   0.7913 11407.46  166.519 11237.64  234.068 11581.50  236.944  107.596   1.1207  109.230   1.1175 -1.633797 1.582615 
1 1 1    6    9   12 o  164.612   1.1047 26312.03  352.139 26394.01  481.998 26218.17  515.707  164.888   1.5059  164.335   1.6166 0.5528107 2.209330 
1 1 1    6    9   13 o   78.341   0.7012  5954.63  106.605  6116.02  152.666  5801.05  148.927   79.376   0.9908   77.305   0.9924 2.070969 1.402357 
1 1 1    6    9   14 o  195.958   1.2696 37287.56  482.908 37725.15  684.593 36854.17  681.288  197.102   1.7893  194.813   1.8016 2.289261 2.539109 
1 1 1    6    9   15 o  116.915   0.9334 13271.87  211.827 13318.76  301.202 13225.97  297.962  117.119   1.3248  116.711   1.3152 0.4083710 1.866786 
1 1 1    6    9   16 o   61.175   0.6569  3633.82   77.963  3606.14  111.844  3659.99  108.733   60.948   0.9453   61.402   0.9123 -0.4538155 1.313732 
1 1 1    6    9   17 o  189.078   1.4081 34743.48  516.806 35242.42  731.753 34246.92  729.999  190.434   1.9795  187.723   2.0033 2.711716 2.816295 
1 1 1    6    9   18 o   49.864   0.7821  2410.93   73.836  2398.31   94.385  2430.84  118.531   49.699   0.9783   50.029   1.2205 -0.3303185 1.564234 
1 1 1    6    9   19 o   34.749   0.7716  1170.99   52.010  1218.43   75.352  1127.83   71.878   35.421   1.0959   34.078   1.0866 1.342136 1.543252 
1 1 1    6    9   20 o   64.527   0.7117  4045.97   89.094  3919.75  126.639  4169.67  125.367   63.530   1.0269   65.525   0.9856 -1.995640 1.423361 
1 1 1    6    9   21 f   63.283   0.8922  3792.63  100.761  4139.60  186.744  3650.13  119.677   65.262   1.4741   61.305   1.0057 3.956871 1.784451 
1 1 1    6    9   22 o   39.819   0.8102  1540.89   62.456  1533.54   91.623  1547.27   85.362   39.729   1.1881   39.909   1.1019 -0.1804047 1.620361 
1 1 1    6    9   23 o   91.709   0.8855  8174.67  157.636  8080.68  222.054  8270.17  223.819   91.178   1.2546   92.241   1.2500 -1.063362 1.771015 
1 1 1    6    9   24 o   48.672   0.7968  2299.66   75.064  2338.81  110.892  2266.55  101.980   49.051   1.1646   48.292   1.0879 0.7590485 1.593663 
1 1 1    6    9   25 o   36.181   0.9335  1267.76   64.861  1310.57   99.991  1236.66   85.222   36.701   1.4035   35.661   1.2311 1.039803 1.866935 
1 1 1    6    9   26 o   70.451   0.7976  4829.86  109.014  4635.92  154.104  5024.13  154.234   69.032   1.1500   71.871   1.1055 -2.838539 1.595200 
1 1 1    6    9   27 o   52.242   0.8001  2653.66   80.839  2695.26  119.999  2619.09  109.385   52.610   1.1750   51.874   1.0863 0.7362862 1.600215 
1 1 1    6    9   28 o   45.223   0.8518  1993.18   74.748  2030.63  107.535  1958.16  103.976   45.632   1.2140   44.813   1.1952 0.8183517 1.703641 
1 1 1    6    9   29 o   30.625   1.0998  918.686   65.223  947.647   96.228  894.076   88.707   31.061   1.5960   30.188   1.5138 0.8727474 2.199672 
1 1 1    6    9   30 o   17.986   1.8050  324.483   62.753  368.904   92.833  287.105   85.156   19.126   2.5004   16.846   2.6040 2.279934 3.610096 
1 1 1    6    9   31 o   29.861   1.1697  877.389   67.549  976.290  100.653  796.343   91.115   31.381   1.6523   28.341   1.6562 3.040625 2.339485 
1 1 1    6    9   32 o   8.5600   2.4697   41.567   64.464   73.062   99.460   18.753   84.651   9.4265   3.7078   7.6936   3.2636 1.732907 4.939495 
1 1 1    6   10    0 o   66.640   0.5433  4309.08   70.263  4386.88  100.678  4235.21   98.106   67.226   0.7715   66.054   0.7651 1.172264 1.086558 
1 1 1    6   10    1 o  109.654   0.7864 11673.05  167.156 11664.30  242.819 11680.94  230.454  109.615   1.1412  109.694   1.0823 -0.7925415E-01 1.572762 
1 1 1    6   10    2 o  187.887   1.0551 34273.26  384.823 34099.18  541.959 34450.29  546.514  187.406   1.4898  188.368   1.4946 -0.9621429 2.110274 
1 1 1    6   10    3 o  263.856   1.3099 67530.56  664.384 67074.21  878.795 68139.37  1015.02  262.825   1.7225  264.886   1.9740 -2.060913 2.619864 
1 1 1    6   10    4 o  224.693   1.1593 49019.74  505.625 49316.57  714.907 48722.66  715.215  225.374   1.6341  224.012   1.6448 1.361694 2.318517 
1 1 1    6   10    5 o  219.531   1.1466 46779.85  488.571 47560.64  696.398 46023.06  685.615  221.335   1.6208  217.728   1.6222 3.607178 2.293175 
1 1 1    6   10    6 o  292.231   1.2881 82898.84  730.621 82098.43  1025.47 83724.02  1041.22  290.799   1.8166  293.664   1.8265 -2.864471 2.576104 
1 1 1    6   10    7 o  200.086   1.0680 38886.72  413.591 38542.97  607.351 39183.98  564.779  199.260   1.5702  200.912   1.4481 -1.652527 2.136024 
1 1 1    6   10    8 o  119.606   0.8306 13870.54  192.541 14149.69  281.436 13624.93  263.988  120.736   1.2008  118.476   1.1479 2.259483 1.661191 
1 1 1    6   10    9 o  347.156   1.3864 116937.00  926.879 117553.20  1403.46 116460.30  1234.37  347.961   2.0778  346.352   1.8360 1.609039 2.772726 
1 1 1    6   10   10 o  302.841   1.2733 89026.43  744.436 89150.80  1112.87 88925.72  1001.50  303.029   1.8919  302.654   1.7047 0.3747253 2.546592 
1 1 1    6   10   11 o  143.606   0.9271 20028.55  258.021 19852.18  375.011 20187.10  355.559  143.005   1.3509  144.208   1.2702 -1.202606 1.854257 
1 1 1    6   10   12 o  318.363   1.2395 98397.93  766.007 99021.91  1087.81 97784.20  1078.84  319.364   1.7547  317.362   1.7512 2.002014 2.479048 
1 1 1    6   10   13 o  179.047   1.1121 31122.07  386.465 31265.50  552.193 30984.35  541.065  179.451   1.5852  178.643   1.5603 0.8077393 2.224241 
1 1 1    6   10   14 o   96.484   0.8515  9053.49  155.791  9112.97  200.323  8962.46  247.823   96.889   1.0651   96.080   1.3287 0.8083801 1.702945 
1 1 1    6   10   15 o  213.928   1.1256 44443.60  467.414 44675.67  663.548 44215.03  658.526  214.482   1.5937  213.373   1.5899 1.108292 2.251167 
1 1 1    6   10   16 o   91.462   0.7661  8120.58  136.010  8291.44  193.389  7953.36  191.322   92.414   1.0780   90.510   1.0889 1.903946 1.532295 
1 1 1    6   10   17 f   92.954   0.9304  8323.53  161.656  8147.30  201.871  8638.55  269.901   91.600   1.1353   94.307   1.4743 -2.707138 1.860801 
1 1 1    6   10   18 o   64.550   0.6739  4047.42   84.268  4017.60  122.894  4073.88  115.769   64.324   0.9842   64.775   0.9207 -0.4507065 1.347729 
1 1 1    6   10   19 o   63.503   0.8192  3905.83   96.349  3880.95  119.350  3952.40  163.261   63.219   0.9725   63.786   1.3185 -0.5668373 1.638395 
1 1 1    6   10   20 o  122.644   0.9988 14614.25  237.763 14752.04  339.690 14481.91  332.909  123.210   1.4203  122.078   1.4048 1.131653 1.997678 
1 1 1    6   10   21 o  133.765   1.1854 17392.31  307.733 17661.36  441.282 17137.60  429.362  134.770   1.6868  132.760   1.6661 2.010406 2.370864 
1 1 1    6   10   22 o   90.205   1.0612  7804.51  172.781  8198.73  310.943  7628.42  207.819   91.803   1.7448   88.606   1.2083 3.197784 2.122346 
1 1 1    6   10   23 o   92.789   0.8952  8369.91  161.219  8226.95  228.157  8512.48  227.839   91.996   1.2776   93.582   1.2542 -1.585426 1.790351 
1 1 1    6   10   24 o  102.743   0.9667 10266.16  192.762 10317.79  275.883 10216.90  269.444  102.993   1.3799  102.492   1.3543 0.5007553 1.933457 
1 1 1    6   10   25 o  103.354   0.9708 10386.31  194.623 10546.46  281.660 10239.97  269.237  104.112   1.3937  102.595   1.3519 1.516510 1.941628 
1 1 1    6   10   26 o   42.836   0.8595  1777.26   71.083  1864.11  107.180  1709.06   94.975   43.762   1.2617   41.911   1.1674 1.850719 1.718930 
1 1 1    6   10   27 o   25.743   1.2615  649.515   62.825  630.857   91.957  665.846   86.034   25.386   1.8661   26.100   1.6981 -0.7135468 2.523055 
1 1 1    6   10   28 o   36.276   0.9546  1289.46   66.960  1176.58   95.644  1397.99   93.777   34.702   1.4198   37.851   1.2763 -3.148373 1.909156 
1 1 1    6   10   29 o   9.6738   2.3555   76.502   61.151 -17.3287   92.813  148.481   81.290   7.4733   3.2917   11.874   3.3701 -4.400844 4.710923 
1 1 1    6   10   30 o   14.764   2.1898  226.926   63.340  357.160   93.810  117.812   85.867   18.800   2.5706   10.729   3.5459 8.070717 4.379668 
1 1 1    6   10   31 o   21.247   1.6234  453.758   66.449  479.834  101.417  434.143   87.960   21.738   2.4035   20.757   2.1830 0.9803753 3.246845 
1 1 1    6   10   32 o   7.2034   2.2764 -19.6413   65.256 -37.7467   96.664  -4.4810   88.454   7.0680   3.2153   7.3387   3.2234 -0.2707191 4.552866 
1 1 1    6   11    0 o   86.411   0.6654  7248.13  111.604  7333.16  158.175  7163.83  157.491   86.916   0.9375   85.907   0.9444 1.009399 1.330731 
1 1 1    6   11    1 o   39.607   0.5961  1519.14   45.714  1475.64   62.092  1570.63   67.552   38.990   0.8204   40.225   0.8651 -1.235165 1.192261 
1 1 1    6   11    2 f  184.574   1.0998 33055.41  391.948 32870.02  527.122 33284.67  586.164  183.999   1.4758  185.149   1.6309 -1.150513 2.199529 
1 1 1    6   11    3 o  163.875   1.0875 26138.10  342.412 26543.41  454.951 25608.52  520.038  165.348   1.4174  162.402   1.6496 2.946030 2.174917 
1 1 1    6   11    4 o   75.924   0.6073  5594.86   89.496  5669.03  127.245  5522.25  125.899   76.422   0.8577   75.426   0.8599 0.9958801 1.214542 
1 1 1    6   11    5 o  130.321   0.8827 16485.17  223.282 16651.46  317.371 16322.18  314.190  130.972   1.2483  129.671   1.2482 1.301453 1.765303 
1 1 1    6   11    6 o  181.816   1.0647 32088.78  375.749 32432.09  533.209 31750.10  529.588  182.782   1.5028  180.850   1.5085 1.932129 2.129330 
1 1 1    6   11    7 o   83.001   0.6607  6686.43  106.450  6738.25  151.403  6635.78  149.697   83.319   0.9361   82.683   0.9327 0.6359024 1.321431 
1 1 1    6   11    8 o   86.036   0.6910  7182.75  115.359  7257.90  165.780  7112.20  160.627   86.472   0.9876   85.599   0.9667 0.8722534 1.381981 
1 1 1    6   11    9 o  239.580   1.1665 55726.69  540.179 55668.59  801.685 55775.00  731.050  239.463   1.7246  239.696   1.5712 -0.2333832 2.333014 
1 1 1    6   11   10 o   92.593   0.8328  8278.77  145.778  8135.54  185.361  8511.00  236.021   91.550   1.0430   93.636   1.2985 -2.086472 1.665535 
1 1 1    6   11   11 o  207.058   1.1393 41652.36  456.643 41203.63  669.537 42042.64  624.405  206.012   1.6742  208.103   1.5457 -2.090912 2.278645 
1 1 1    6   11   12 o  309.322   1.4929 92990.52  888.925 92236.72  1344.04 93576.63  1185.16  308.198   2.2466  310.446   1.9666 -2.247894 2.985743 
1 1 1    6   11   13 o  281.375   1.5316 76877.50  836.492 76032.27  1172.54 77753.52  1193.71  279.800   2.1588  282.949   2.1733 -3.148224 3.063293 
1 1 1    6   11   14 o  122.611   0.9001 14595.34  214.217 14610.07  304.015 14580.81  301.893  122.673   1.2767  122.550   1.2690 0.1227112 1.800105 
1 1 1    6   11   15 o  141.946   1.0312 19572.38  283.843 19721.06  393.571 19411.23  409.747  142.509   1.4227  141.382   1.4930 1.127319 2.062304 
1 1 1    6   11   16 f   87.065   0.7345  7352.34  124.060  7557.21  179.300  7164.17  171.832   88.228   1.0469   85.903   1.0305 2.324524 1.468969 
1 1 1    6   11   17 o   53.138   0.6575  2732.43   67.597  2846.46  100.570  2638.46   91.294   54.146   0.9568   52.131   0.9022 2.014919 1.315075 
1 1 1    6   11   18 o  108.587   0.8719 11451.60  183.785 11472.73  260.819 11430.76  259.012  108.686   1.2362  108.487   1.2299 0.1986465 1.743839 
1 1 1    6   11   19 o   35.297   0.7732  1210.54   52.903  1198.50   76.682  1221.48   73.079   35.129   1.1245   35.465   1.0615 -0.3363037 1.546388 
1 1 1    6   11   20 o  162.929   1.5583 25856.92  485.659 25934.89  635.430 25747.39  753.124  163.266   2.0050  162.592   2.3862 0.6736755 3.116683 
1 1 1    6   11   21 o  106.137   0.9748 10946.73  200.829 10766.95  282.827 11129.55  285.217  105.258   1.3842  107.017   1.3730 -1.758835 1.949631 
1 1 1    6   11   22 o   38.899   0.9379  1483.27   69.843  1558.73   92.873  1385.04  105.963   40.053   1.1945   37.745   1.4462 2.307129 1.875721 
1 1 1    6   11   23 o   25.133   1.4405  599.983   65.878  659.590  117.906  572.930   79.433   26.003   2.3359   24.264   1.6865 1.738865 2.881074 
1 1 1    6   11   24 o   47.029   0.8172  2155.75   74.393  2036.80  107.254  2266.03  103.273   45.772   1.2071   48.286   1.1018 -2.513687 1.634348 
1 1 1    6   11   25 o   39.241   0.8916  1514.06   66.731  1399.61  102.230  1599.04   88.085   37.927   1.3886   40.556   1.1189 -2.629826 1.783250 
1 1 1    6   11   26 o   26.762   1.2258  712.692   62.331  612.918   94.056  790.821   83.231   25.041   1.9350   28.483   1.5053 -3.442505 2.451540 
1 1 1    6   11   27 o   10.074   2.4974   90.872   60.028   94.563   90.694   87.995   80.077   10.301   3.6380   9.8472   3.4225 0.4536543 4.994865 
1 1 1    6   11   28 o   45.437   0.8590  2026.65   75.272  1848.93  109.548  2185.60  103.604   43.522   1.2967   47.352   1.1271 -3.829468 1.718058 
1 1 1    6   11   29 o   32.837   1.0513  1069.40   66.218  960.539   98.185  1160.22   89.684   31.255   1.6183   34.420   1.3423 -3.164814 2.102525 
1 1 1    6   11   30 o   24.810   1.3092  608.115   62.939  653.553   92.186  568.442   86.140   25.676   1.8496   23.945   1.8532 1.731133 2.618310 
1 1 1    6   11   31 o   20.156   1.6952  412.738   65.951  414.079   98.607  411.653   88.714   20.137   2.5225   20.175   2.2652 -0.3780937E-01 3.390332 
1 1 1    6   11   32 f   11.396   2.5420  142.739   67.579   69.820   99.685  204.751   91.928   9.3262   3.6981   13.465   3.4887 -4.138784 5.084000 
1 1 1    6   12    0 o  128.977   0.8470 16148.91  212.057 16113.13  298.976 16185.14  300.819  128.833   1.1955  129.121   1.2002 -0.2874908 1.693989 
1 1 1    6   12    1 o   24.307   0.4675  573.707   22.049  563.680   31.434  583.419   30.936   24.098   0.6720   24.517   0.6500 -0.4183617 0.9349369 
1 1 1    6   12    2 o  269.811   1.3551 70707.79  698.897 70775.55  912.409 70611.61  1087.18  269.979   1.7410  269.642   2.0771 0.3374634 2.710205 
1 1 1    6   12    3 o   92.081   0.6845  8229.50  122.346  8137.54  171.803  8324.12  174.270   91.560   0.9666   92.603   0.9695 -1.043655 1.369028 
1 1 1    6   12    4 o  270.147   1.2453 70850.04  653.027 71611.01  927.519 70102.05  919.573  271.585   1.7593  268.709   1.7629 2.876740 2.490639 
1 1 1    6   12    5 o  402.154   1.5970 157034.00  1246.73 157764.41  1766.86 156309.80  1759.45  403.085   2.2581  401.223   2.2591 1.862701 3.194098 
1 1 1    6   12    6 o  163.439   1.0067 25924.46  319.349 25530.09  447.558 26333.51  455.809  162.173   1.4217  164.705   1.4256 -2.531937 2.013373 
1 1 1    6   12    7 o   76.987   0.7543  5786.45  108.624  5626.67  178.168  5880.98  137.038   76.136   1.2055   77.839   0.9069 -1.703087 1.508588 
1 1 1    6   12    8 o  232.616   1.1394 52549.10  512.552 52284.04  757.566 52772.86  696.051  232.073   1.6816  233.159   1.5379 -1.086090 2.278809 
1 1 1    6   12    9 o  245.819   1.1785 58704.10  560.275 58164.60  826.572 59162.66  762.052  244.771   1.7396  246.867   1.5902 -2.095886 2.356919 
1 1 1    6   12   10 o  504.546   1.6435 247082.41  1592.96 247914.30  2436.45 246461.30  2105.24  505.272   2.4841  503.820   2.1526 1.451721 3.286994 
1 1 1    6   12   11 f  287.776   1.2649 80414.71  703.078 80293.88  1047.62 80513.73  948.379  287.574   1.8767  287.977   1.6965 -0.4023132 2.529833 
1 1 1    6   12   12 o  133.075   0.9207 17197.41  237.550 17057.42  343.810 17325.30  328.599  132.556   1.3361  133.594   1.2671 -1.038040 1.841429 
1 1 1    6   12   13 o  195.480   1.2249 37066.33  462.375 37462.18  691.809 36746.73  621.603  196.418   1.8144  194.541   1.6460 1.876923 2.449803 
1 1 1    6   12   14 o  145.372   0.9531 20518.87  268.948 20467.80  381.808 20569.16  378.910  145.192   1.3547  145.552   1.3411 -0.3595581 1.906212 
1 1 1    6   12   15 o   70.608   0.6615  4838.72   90.615  4873.55  130.600  4806.39  125.830   70.853   0.9496   70.364   0.9212 0.4895096 1.323004 
1 1 1    6   12   16 o   69.119   0.6897  4635.56   92.457  4693.88  134.002  4582.58  127.732   69.533   0.9928   68.705   0.9577 0.8287048 1.379452 
1 1 1    6   12   17 o   68.539   0.6932  4555.48   92.045  4646.88  135.039  4476.15  125.796   69.180   1.0056   67.899   0.9544 1.281471 1.386396 
1 1 1    6   12   18 o   67.918   0.6999  4480.57   92.239  4402.91  131.376  4556.07  129.535   67.337   1.0051   68.499   0.9742 -1.162071 1.399700 
1 1 1    6   12   19 f   51.711   0.7851  2612.51   77.281  2680.65  100.645  2514.61  120.635   52.541   0.9868   50.881   1.2214 1.659737 1.570201 
1 1 1    6   12   20 o  255.826   1.5812 63700.48  785.157 64743.63  1121.03 62696.05  1100.03  257.880   2.2394  253.772   2.2330 4.108414 3.162501 
1 1 1    6   12   21 o   86.362   1.0223  7291.43  163.925  7396.97  204.756  7103.05  273.565   87.256   1.2089   85.469   1.6489 1.787239 2.044536 
1 1 1    6   12   22 f   66.902   0.7624  4349.13   98.972  4313.90  141.798  4382.60  138.208   66.637   1.0962   67.167   1.0600 -0.5305405 1.524887 
1 1 1    6   12   23 o   76.371   0.8090  5668.05  119.816  5661.93  173.235  5673.65  165.895   76.329   1.1692   76.412   1.1184 -0.8307648E-01 1.617970 
1 1 1    6   12   24 o  139.072   1.5189 18794.63  384.500 19082.71  675.296 18656.43  467.719  139.736   2.4896  138.409   1.7408 1.326645 3.037822 
1 1 1    6   12   25 o   93.368   0.9107  8480.26  165.014  8227.72  232.682  8735.78  234.053   91.967   1.3034   94.769   1.2723 -2.801987 1.821388 
1 1 1    6   12   26 o   78.876   0.8320  6054.27  127.369  6084.90  182.212  6024.99  178.113   79.069   1.1872   78.682   1.1661 0.3863678 1.664097 
1 1 1    6   12   27 o   28.287   1.1575  767.609   62.962  917.601   96.739  657.376   82.932   30.641   1.6264   25.932   1.6475 4.708506 2.315035 
1 1 1    6   12   28 o   39.595   0.9288  1542.30   70.758  1422.65  104.716  1642.83   95.988   38.153   1.4139   41.038   1.2049 -2.885025 1.857693 
1 1 1    6   12   29 o   18.931   1.7067  368.656   60.666  301.879   92.617  418.838   80.288   17.301   2.7577   20.561   2.0116 -3.259424 3.413439 
1 1 1    6   12   30 o   6.3556   2.0837 -63.6714   61.116 -69.9271   90.416 -58.4086   82.930   6.4393   2.9938   6.2718   2.8989 0.1674423 4.167321 
1 1 1    6   12   31 f   37.052   1.0056  1350.43   72.138  1415.49  106.819  1295.88   97.811   37.856   1.4536   36.248   1.3901 1.607830 2.011277 
1 1 1    6   12   32 o   20.302   2.0445  434.230   79.609  430.521  104.856  439.276  122.319   20.326   2.6575   20.277   3.1075 0.4826546E-01 4.088913 
1 1 1    6   13    0 o  228.265   1.1507 50558.52  509.670 49488.17  708.290 51707.88  733.959  225.762   1.6162  230.769   1.6384 -5.006332 2.301428 
1 1 1    6   13    1 o  174.241   1.1054 29464.63  369.909 29391.33  488.516 29563.13  566.325  173.992   1.4464  174.491   1.6720 -0.4992065 2.210773 
1 1 1    6   13    2 o  178.068   1.0453 30783.16  361.293 31112.81  512.345 30457.08  509.557  179.016   1.4744  177.120   1.4820 1.896744 2.090500 
1 1 1    6   13    3 o  126.227   0.8615 15464.55  211.066 15271.58  296.176 15663.68  300.863  125.427   1.2164  127.027   1.2201 -1.599907 1.722925 
1 1 1    6   13    4 o  249.360   1.2127 60362.52  586.965 59962.99  825.137 60771.80  835.140  248.525   1.7104  250.195   1.7196 -1.670135 2.425336 
1 1 1    6   13    5 o  103.070   0.8949 10341.45  176.181 10145.27  273.455 10480.67  230.365  102.231   1.3780  103.910   1.1421 -1.678459 1.789728 
1 1 1    6   13    6 o  542.487   1.7588 285738.19  1852.07 287029.50  2633.14 284473.91  2605.52  543.699   2.4949  541.275   2.4798 2.424561 3.517627 
1 1 1    6   13    7 o   69.321   0.5839  4662.52   78.558  4583.68  109.693  4745.53  112.557   68.720   0.8223   69.922   0.8293 -1.202667 1.167844 
1 1 1    6   13    8 f  266.359   1.2075 68895.55  621.611 68655.68  922.478 69095.09  841.302  265.931   1.7870  266.787   1.6245 -0.8551025 2.415027 
1 1 1    6   13    9 o  351.276   1.3377 119818.80  906.886 119615.80  1357.13 119982.50  1219.02  351.001   1.9918  351.550   1.7863 -0.5483398 2.675485 
1 1 1    6   13   10 o  264.002   1.2963 67666.32  664.313 68041.10  939.862 67292.14  939.099  264.733   1.8289  263.271   1.8376 1.461395 2.592595 
1 1 1    6   13   11 o  140.503   0.9531 19141.96  259.389 19484.11  380.970 18846.28  354.158  141.672   1.3853  139.335   1.3094 2.336807 1.906192 
1 1 1    6   13   12 o   64.693   0.6263  4050.35   78.431  4218.01  116.172  3909.92  106.318   65.920   0.9079   63.467   0.8630 2.452808 1.252573 
1 1 1    6   13   13 o  257.208   1.3382 64202.64  652.897 64432.78  1041.24 64053.52  838.134  257.574   2.0825  256.842   1.6811 0.7315979 2.676327 
1 1 1    6   13   14 o  174.471   1.1577 29550.68  390.819 29687.67  577.120 29434.65  531.143  174.840   1.7004  174.101   1.5716 0.7390900 2.315476 
1 1 1    6   13   15 o   73.018   0.6948  5176.55   98.474  5126.53  139.919  5225.65  138.615   72.668   0.9919   73.367   0.9733 -0.6994781 1.389665 
1 1 1    6   13   16 o  178.899   1.0595 31079.98  367.927 31399.60  523.392 30767.75  517.317  179.808   1.4995  177.990   1.4973 1.818130 2.119040 
1 1 1    6   13   17 o   51.940   0.8061  2672.79   75.014  2479.66  132.608  2763.68   90.968   50.527   1.3520   53.353   0.8783 -2.826382 1.612273 
1 1 1    6   13   18 o  104.748   0.8349 10657.13  169.736 10605.52  242.019 10707.09  238.113  104.498   1.1931  104.999   1.1682 -0.5006332 1.669819 
1 1 1    6   13   19 f  126.862   0.9503 15634.65  234.015 15678.46  331.920 15591.35  329.983  127.038   1.3460  126.685   1.3418 0.3530350 1.900568 
1 1 1    6   13   20 o  105.167   0.9391 10746.19  191.716 10797.85  271.708 10694.97  270.550  105.418   1.3278  104.915   1.3285 0.5034714 1.878230 
1 1 1    6   13   21 o   48.274   0.7399  2259.13   69.242  2345.40  101.157  2183.07   94.980   49.139   1.0605   47.409   1.0321 1.729965 1.479799 
1 1 1    6   13   22 o  133.758   1.4527 17434.63  356.787 17456.45  438.652 17391.97  613.305  133.956   1.6869  133.561   2.3655 0.3952789 2.905424 
1 1 1    6   13   23 o   76.148   0.8066  5636.41  119.181  5562.23  170.219  5707.74  166.925   75.655   1.1591   76.641   1.1220 -0.9861908 1.613173 
1 1 1    6   13   24 o   39.531   0.9377  1518.42   71.504  1531.29  107.503  1508.21   95.757   39.677   1.3958   39.385   1.2525 0.2917290 1.875340 
1 1 1    6   13   25 o   57.437   0.8018  3207.73   88.867  3206.73  133.104  3208.53  119.369   57.423   1.1941   57.450   1.0704 -0.2711868E-01 1.603604 
1 1 1    6   13   26 o   81.413   0.8445  6449.65  133.364  6508.28  192.741  6395.78  184.725   81.764   1.2144   81.062   1.1739 0.7017517 1.689025 
1 1 1    6   13   27 o   58.804   0.7858  3365.66   89.498  3396.32  131.293  3339.04  122.322   59.048   1.1454   58.560   1.0761 0.4876671 1.571596 
1 1 1    6   13   28 o   54.262   0.8021  2870.96   84.368  2871.13  122.557  2870.81  116.317   54.257   1.1636   54.267   1.1042 -0.1012039E-01 1.604150 
1 1 1    6   13   29 o   35.686   0.9766  1254.74   66.940  1201.88  101.074  1296.04   89.343   34.984   1.4884   36.387   1.2649 -1.403389 1.953225 
1 1 1    6   13   30 o   22.853   1.4252  516.440   62.638  547.670   96.404  493.624   82.402   23.416   2.1209   22.291   1.9043 1.124104 2.850389 
1 1 1    6   13   31 o   22.752   1.5173  531.849   65.494  460.614   99.199  586.895   87.201   21.267   2.4029   24.238   1.8534 -2.970541 3.034638 
1 1 1    6   13   32 f   18.643   2.6442  413.657   91.630  292.656  141.267  501.538  120.390   15.481   4.4586   21.806   2.8442 -6.324488 5.288489 
1 1 1    6   14    0 o  218.247   1.1937 46265.78  502.780 46414.17  676.092 46082.18  752.031  218.643   1.5930  217.851   1.7783 0.7921448 2.387455 
1 1 1    6   14    1 f  220.234   1.1372 47087.82  486.158 46757.00  683.671 47426.22  691.458  219.452   1.6049  221.016   1.6117 -1.564606 2.274450 
1 1 1    6   14    2 o  345.580   1.4642 115969.90  980.875 115861.30  1424.91 116067.70  1352.27  345.422   2.1251  345.738   2.0149 -0.3155823 2.928426 
1 1 1    6   14    3 o  276.169   1.2557 74045.30  673.122 73834.63  947.281 74260.16  956.666  275.773   1.7695  276.566   1.7820 -0.7930298 2.511306 
1 1 1    6   14    4 o   82.958   0.8569  6680.26  137.970  6673.69  193.502  6687.06  196.778   82.916   1.2022   82.999   1.2213 -0.8287811E-01 1.713761 
1 1 1    6   14    5 o  354.608   1.4256 122037.90  979.121 121431.60  1338.83 122735.00  1435.60  353.665   1.9502  355.552   2.0800 -1.886658 2.851234 
1 1 1    6   14    6 o   66.569   0.5841  4299.98   75.465  4399.68  107.754  4204.01  105.723   67.326   0.8245   65.812   0.8276 1.514153 1.168172 
1 1 1    6   14    7 o  333.633   1.4162 108022.70  914.690 107484.50  1246.96 108649.60  1345.82  332.737   1.9306  334.529   2.0725 -1.792084 2.832359 
1 1 1    6   14    8 o  190.997   1.1098 35411.29  411.457 35929.93  584.347 34901.29  579.460  192.384   1.5647  189.610   1.5743 2.774109 2.219653 
1 1 1    6   14    9 o  112.682   0.8172 12318.36  178.590 12471.66  258.921 12179.25  246.655  113.350   1.1767  112.013   1.1344 1.336258 1.634478 
1 1 1    6   14   10 o   73.190   0.8375  5200.66  118.936  5170.64  170.316  5229.23  166.163   72.984   1.2022   73.396   1.1663 -0.4126205 1.674916 
1 1 1    6   14   11 o   65.264   0.6205  4131.25   78.543  4206.06  113.928  4063.50  108.430   65.827   0.8916   64.702   0.8633 1.125038 1.241059 
1 1 1    6   14   12 o  162.467   1.0514 25626.81  331.583 25747.99  468.085 25504.75  469.777  162.852   1.4807  162.081   1.4931 0.7714386 2.102822 
1 1 1    6   14   13 o  188.318   1.0966 34414.61  399.731 34680.81  588.827 34187.06  544.394  188.991   1.6050  187.646   1.4945 1.345215 2.193120 
1 1 1    6   14   14 f  147.136   0.9848 21019.65  280.812 21052.17  409.148 20990.69  386.110  147.242   1.4315  147.031   1.3528 0.2116089 1.969572 
1 1 1    6   14   15 o   58.002   0.6484  3270.89   72.884  3084.65  103.759  3452.29  102.401   56.369   0.9482   59.634   0.8846 -3.265404 1.296794 
1 1 1    6   14   16 o   53.552   0.6585  2785.42   68.355  2760.08   99.118  2808.41   94.392   53.319   0.9576   53.785   0.9041 -0.4656029 1.316984 
1 1 1    6   14   17 o   48.763   0.6641  2309.12   62.715  2303.26   91.845  2314.24   85.843   48.705   0.9715   48.822   0.9058 -0.1172295 1.328217 
1 1 1    6   14   18 o   90.793   0.8114  8006.12  143.003  7978.53  202.798  8033.41  201.682   90.637   1.1526   90.949   1.1424 -0.3117065 1.622820 
1 1 1    6   14   19 o   52.067   0.6844  2630.88   69.133  2680.03   99.844  2585.61   95.817   52.534   0.9791   51.601   0.9566 0.9331665 1.368812 
1 1 1    6   14   20 o   86.369   0.8212  7242.16  137.589  7348.79  198.926  7144.37  190.508   86.977   1.1782   85.761   1.1444 1.216148 1.642477 
1 1 1    6   14   21 o   27.196   1.0316  716.717   54.221  741.839   81.146  696.454   72.880   27.624   1.5133   26.769   1.4025 0.8553066 2.063266 
1 1 1    6   14   22 o   28.122   1.0878  772.064   59.121  729.109   86.224  810.177   81.219   27.378   1.6224   28.866   1.4495 -1.488361 2.175582 
1 1 1    6   14   23 o   86.833   1.0361  7343.95  166.678  7369.10  207.066  7297.65  280.914   87.072   1.2251   86.595   1.6712 0.4768753 2.072103 
1 1 1    6   14   24 o   69.139   0.7974  4640.16  106.843  4749.39  156.287  4544.33  146.395   69.900   1.1518   68.378   1.1029 1.521393 1.594711 
1 1 1    6   14   25 o   29.679   1.1509  852.282   65.332  891.947  102.471  825.115   84.803   30.248   1.7452   29.110   1.5008 1.138725 2.301710 
1 1 1    6   14   26 o   44.498   1.0783  1981.85   83.253  1816.55  154.790  2049.14   98.752   43.107   1.8498   45.889   1.1086 -2.782104 2.156603 
1 1 1    6   14   27 o   24.622   1.3737  612.190   63.712  480.386   94.758  720.940   86.073   22.094   2.2094   27.151   1.6331 -5.057058 2.747465 
1 1 1    6   14   28 o   32.017   1.0806  1007.99   66.733  958.951   98.671  1049.34   90.595   31.277   1.6251   32.756   1.4248 -1.478220 2.161283 
1 1 1    6   14   29 o   25.536   1.2879  657.057   62.354  570.492   94.959  722.677   82.676   23.969   2.0409   27.102   1.5715 -3.132971 2.575812 
1 1 1    6   14   30 o   10.172   2.4883   91.868   61.658  153.304   94.160   45.748   81.582   11.950   3.6891   8.3944   3.3401 3.555178 4.976542 
1 1 1    6   14   31 o   21.275   1.6345  469.924   65.612  402.024  100.391  520.555   86.690   19.770   2.6159   22.780   1.9604 -3.009710 3.268988 
1 1 1    6   14   32 o   19.592   2.6238  433.561   92.947  435.061  156.699  432.747  115.449   19.016   4.3407   20.167   2.9490 -1.151623 5.247665 
1 1 1    6   15    0 o   76.639   0.6158  5701.86   91.571  5724.61  127.832  5677.87  131.237   76.796   0.8575   76.482   0.8840 0.3143234 1.231540 
1 1 1    6   15    1 o   16.333   0.5187  259.458   16.393  266.476   22.491  251.506   23.942   16.569   0.6993   16.097   0.7662 0.4722233 1.037336 
1 1 1    6   15    2 o  156.908   0.9727 23896.02  296.234 23635.52  415.134 24166.29  422.848  156.037   1.3705  157.779   1.3806 -1.742096 1.945370 
1 1 1    6   15    3 o   64.114   0.5402  3989.84   67.233  3951.09   94.918  4028.86   95.245   63.801   0.7664   64.426   0.7616 -0.6249084 1.080446 
1 1 1    6   15    4 o  169.633   1.1157 27869.03  363.279 28360.79  559.323 27510.21  477.770  170.922   1.6858  168.343   1.4620 2.578369 2.231453 
1 1 1    6   15    5 o  311.603   1.3283 94217.46  803.191 92648.50  1118.18 95889.89  1154.46  308.925   1.8646  314.282   1.8923 -5.356476 2.656635 
1 1 1    6   15    6 o  142.773   0.9483 19786.42  262.825 19918.10  372.809 19656.30  370.583  143.246   1.3407  142.301   1.3416 0.9445190 1.896667 
1 1 1    6   15    7 o  157.950   1.0070 24213.29  308.731 23886.43  432.803 24551.93  440.524  156.865   1.4213  159.035   1.4270 -2.170090 2.014055 
1 1 1    6   15    8 f  329.297   1.3813 105277.90  882.957 105139.50  1244.15 105418.20  1253.29  329.080   1.9476  329.515   1.9593 -0.4352112 2.762651 
1 1 1    6   15    9 o  214.395   1.1380 44634.74  472.007 44470.89  695.952 44774.31  642.308  214.028   1.6751  214.761   1.5407 -0.7326355 2.275916 
1 1 1    6   15   10 o  156.319   0.9950 23696.33  301.215 24078.37  442.800 23367.29  410.946  157.490   1.4484  155.149   1.3645 2.341171 1.989906 
1 1 1    6   15   11 f  110.350   0.8285 11821.01  177.347 11806.91  255.731 11834.08  246.155  110.286   1.1945  110.413   1.1485 -0.1273956 1.657076 
1 1 1    6   15   12 o  153.976   0.9934 23010.48  296.391 23130.92  432.797 22904.12  406.737  154.355   1.4444  153.598   1.3642 0.7563324 1.986784 
1 1 1    6   15   13 o   51.484   0.6186  2572.96   61.817  2569.01   86.783  2577.01   88.075   51.444   0.8690   51.524   0.8806 -0.7994461E-01 1.237192 
1 1 1    6   15   14 o  104.718   0.8114 10645.39  164.851 10687.62  237.073 10605.85  229.387  104.919   1.1640  104.518   1.1306 0.4012146 1.622724 
1 1 1    6   15   15 o  119.465   0.9740 13866.02  225.466 13725.15  327.905 13992.35  310.519  118.888   1.4208  120.043   1.3326 -1.155159 1.947952 
1 1 1    6   15   16 o   59.470   0.6573  3435.65   75.758  3396.05  109.959  3471.43  104.524   59.143   0.9578   59.797   0.9005 -0.6538200 1.314600 
1 1 1    6   15   17 o   84.184   0.7399  6881.07  120.906  6934.08  172.149  6829.47  169.847   84.504   1.0495   83.864   1.0433 0.6396332 1.479819 
1 1 1    6   15   18 o   29.070   0.8684  814.607   48.814  913.901   72.613  732.729   65.937   30.674   1.2195   27.466   1.2367 3.208488 1.736839 
1 1 1    6   15   19 o   28.557   0.9419  792.053   52.143  797.819   75.897  786.898   71.760   28.655   1.3644   28.460   1.2989 0.1953602 1.883870 
1 1 1    6   15   20 o  112.212   0.9839 12236.16  214.327 12223.92  302.866 12248.43  303.343  112.156   1.3911  112.268   1.3919 -0.1122971 1.967896 
1 1 1    6   15   21 o   28.401   1.0409  786.083   57.168  758.305   83.699  810.375   78.270   27.927   1.5439   28.875   1.3964 -0.9474239 2.081724 
1 1 1    6   15   22 o   54.658   0.7496  2904.15   79.473  2849.10  113.853  2956.45  110.986   54.152   1.0831   55.165   1.0364 -1.013195 1.499102 
1 1 1    6   15   23 o   58.565   0.8936  3298.52   98.434  3194.93  123.748  3476.97  162.423   57.337   1.1118   59.792   1.3994 -2.455070 1.787297 
1 1 1    6   15   24 o   40.990   1.0489  1634.85   81.128  1634.40  103.257  1635.59  131.142   40.995   1.2975   40.985   1.6483 0.9777069E-02 2.097777 
1 1 1    6   15   25 o   49.628   0.8152  2392.37   77.996  2420.65  117.730  2370.25  104.124   49.884   1.2158   49.373   1.0864 0.5108528 1.630484 
1 1 1    6   15   26 o   50.016   0.8226  2401.92   78.855  2637.81  123.739  2240.62  102.323   52.047   1.2247   47.984   1.0985 4.063026 1.645224 
1 1 1    6   15   27 o   85.181   0.8812  7065.19  145.502  7251.49  212.483  6900.69  199.656   86.230   1.2694   84.133   1.2225 2.097008 1.762364 
1 1 1    6   15   28 o   61.962   0.8026  3751.53   96.355  3623.92  139.164  3869.05  133.542   60.937   1.1765   62.988   1.0922 -2.051094 1.605294 
1 1 1    6   15   29 o   36.645   1.0834  1321.60   76.793  1327.49  104.470  1314.68  113.266   36.755   1.4642   36.535   1.5971 0.2202950 2.166711 
1 1 1    6   15   30 o   12.978   2.4118  188.946   62.114  141.996   99.450  218.976   79.535   11.594   3.8153   14.363   2.9514 -2.769081 4.823639 
1 1 1    6   15   31 f   16.292   2.0986  263.043   63.233  384.850  105.208  194.159   79.117   19.243   2.8166   13.342   3.1119 5.900683 4.197283 
1 1 1    6   15   32 f   10.834   2.9540  119.107   88.629   67.672  149.374  147.054  110.105   10.233   4.3377   11.436   4.0111 -1.203056 5.907963 
1 1 1    6   16    0 o   54.859   0.4815  2921.14   51.274  2937.08   72.469  2905.16   72.556   55.009   0.6787   54.709   0.6832 0.2997704 0.9629885 
1 1 1    6   16    1 o  229.920   1.1672 51319.05  520.903 51168.11  733.057 51473.02  740.332  229.579   1.6449  230.262   1.6563 -0.6826630 2.334319 
1 1 1    6   16    2 o  345.666   1.4795 116062.90  992.033 114507.40  1425.25 117524.60  1381.66  343.416   2.1380  347.916   2.0458 -4.500275 2.959096 
1 1 1    6   16    3 o  111.938   1.0392 12160.31  225.783 11987.28  315.971 12340.83  322.747  111.124   1.4648  112.751   1.4746 -1.626724 2.078475 
1 1 1    6   16    4 o  455.195   1.6611 201089.80  1466.87 198763.20  2033.61 203613.09  2117.89  452.454   2.3154  457.936   2.3825 -5.482117 3.322260 
1 1 1    6   16    5 o  333.057   1.4051 107706.10  906.497 107922.20  1242.51 107460.20  1325.47  333.417   1.9198  332.697   2.0524 0.7200012 2.810285 
1 1 1    6   16    6 o   23.930   0.5498  558.771   25.398  518.870   37.070  594.073   34.868   23.121   0.8259   24.740   0.7261 -1.618969 1.099698 
1 1 1    6   16    7 o  143.793   0.9579 20068.30  267.332 19896.70  374.556 20246.48  381.673  143.167   1.3477  144.420   1.3614 -1.252762 1.915711 
1 1 1    6   16    8 o  167.339   1.0343 27183.30  335.982 27163.59  474.120 27203.18  476.189  167.278   1.4601  167.400   1.4654 -0.1217346 2.068652 
1 1 1    6   16    9 o  315.888   1.2996 96897.85  792.924 96677.90  1181.44 97078.12  1069.61  315.557   1.9287  316.219   1.7425 -0.6616211 2.599279 
1 1 1    6   16   10 o  209.311   1.1283 42530.25  457.117 42564.03  672.771 42501.27  623.015  209.386   1.6552  209.235   1.5339 0.1505737 2.256681 
1 1 1    6   16   11 o  101.894   0.8012 10079.09  158.429 10052.49  226.860 10104.42  221.347  101.762   1.1484  102.025   1.1176 -0.2629089 1.602499 
1 1 1    6   16   12 o  168.322   1.0416 27523.85  339.700 27225.42  494.492 27790.54  467.464  167.456   1.5212  169.188   1.4234 -1.732391 2.083281 
1 1 1    6   16   13 f  174.941   1.1497 29727.20  389.595 29588.64  569.261 29849.27  534.337  174.554   1.6800  175.327   1.5700 -0.7729950 2.299435 
1 1 1    6   16   14 f  117.143   0.9060 13320.63  205.828 13404.04  297.870 13244.41  284.743  117.493   1.3060  116.793   1.2559 0.6999054 1.811929 
1 1 1    6   16   15 o  134.130   0.9510 17466.38  247.230 17528.60  360.104 17410.91  340.030  134.355   1.3807  133.906   1.3081 0.4485321 1.902008 
1 1 1    6   16   16 o  159.721   1.0518 24782.18  325.513 24740.46  474.764 24819.19  447.164  159.590   1.5325  159.852   1.4411 -0.2613983 2.103639 
1 1 1    6   16   17 o  133.880   0.9900 17404.86  257.239 17066.50  359.558 17759.63  368.176  132.548   1.3974  135.212   1.4027 -2.664413 1.980015 
1 1 1    6   16   18 o   68.896   0.7094  4606.07   94.746  4669.53  137.994  4549.47  130.317   69.344   1.0251   68.448   0.9808 0.8957901 1.418760 
1 1 1    6   16   19 o   32.812   0.8252  1044.15   52.256  1060.82   78.505  1030.89   70.022   33.045   1.2238   32.578   1.1072 0.4668961 1.650372 
1 1 1    6   16   20 o   59.592   0.7012  3447.31   81.028  3482.28  117.572  3415.69  111.825   59.878   1.0115   59.305   0.9714 0.5737534 1.402389 
1 1 1    6   16   21 o  131.681   1.1748 16863.83  300.277 16916.38  426.698 16812.28  422.642  131.883   1.6667  131.479   1.6560 0.4046936 2.349518 
1 1 1    6   16   22 o   78.434   0.8055  5977.53  122.632  6012.41  174.942  5943.84  171.953   78.658   1.1457   78.209   1.1326 0.4487228 1.611072 
1 1 1    6   16   23 o   62.592   0.7670  3798.41   92.985  3937.23  137.025  3679.91  126.594   63.648   1.1091   61.536   1.0598 2.111423 1.533989 
1 1 1    6   16   24 o   45.919   0.8379  2047.38   74.616  2109.13  108.383  1991.74  102.878   46.575   1.1988   45.262   1.1709 1.312855 1.675734 
1 1 1    6   16   25 o   54.089   0.8133  2840.09   85.275  2949.65  124.610  2743.59  116.948   55.067   1.1657   53.111   1.1343 1.955147 1.626539 
1 1 1    6   16   26 o   65.950   0.8015  4237.89  102.446  4147.40  148.111  4320.90  141.853   65.268   1.1690   66.631   1.0967 -1.363586 1.602935 
1 1 1    6   16   27 o   50.061   0.8562  2429.33   82.362  2539.28  126.968  2349.46  108.220   51.020   1.2820   49.103   1.1354 1.917313 1.712483 
1 1 1    6   16   28 o   33.291   1.0292  1084.01   66.181  1098.72   98.943  1072.10   89.028   33.481   1.5224   33.101   1.3856 0.3804626 2.058486 
1 1 1    6   16   29 o   26.982   1.2161  702.806   62.752  816.392   99.761  628.439   80.721   28.726   1.7891   25.239   1.6476 3.486223 2.432131 
1 1 1    6   16   30 o   13.381   2.4195  191.275   62.189  220.024   98.435  172.177   80.229   14.152   3.5805   12.610   3.2552 1.541260 4.839048 
1 1 1    6   16   31 o   28.142   1.2976  789.088   70.369  819.235  106.930  766.058   93.459   28.571   1.9280   27.714   1.7372 0.8568916 2.595255 
1 1 1    6   16   32 o   13.443   3.1092  219.158   92.464  236.152  143.702  207.152  120.789   13.771   4.5889   13.115   4.1965 0.6557150 6.218406 
1 1 1    6   17    0 o   90.670   0.6837  7978.59  120.329  7875.90  168.921  8084.38  171.448   90.078   0.9661   91.262   0.9678 -1.184418 1.367429 
1 1 1    6   17    1 o  332.175   1.3453 107125.30  867.480 107782.40  1227.05 106468.70  1226.55  333.194   1.8971  331.156   1.9080 2.037384 2.690685 
1 1 1    6   17    2 o  208.994   1.1304 42401.73  458.584 42434.30  646.306 42368.71  650.789  209.075   1.5925  208.913   1.6048 0.1619263 2.260798 
1 1 1    6   17    3 o  339.363   1.4789 111838.80  973.104 111244.90  1409.11 112380.30  1345.45  338.499   2.1445  340.227   2.0372 -1.727966 2.957871 
1 1 1    6   17    4 o  231.321   1.1812 51943.65  530.383 52361.50  751.830 51529.67  748.331  232.247   1.6676  230.395   1.6732 1.852264 2.362359 
1 1 1    6   17    5 o  244.290   1.2194 57920.10  578.163 57211.16  808.924 58660.47  826.656  242.762   1.7166  245.817   1.7324 -3.055237 2.438812 
1 1 1    6   17    6 o  139.491   0.9301 18886.01  251.801 18790.57  352.644 18985.28  359.662  139.132   1.3057  139.850   1.3248 -0.7187500 1.860132 
1 1 1    6   17    7 o  157.499   1.0129 24079.81  309.674 24009.13  436.559 24151.39  439.346  157.266   1.4300  157.732   1.4349 -0.4651489 2.025809 
1 1 1    6   17    8 o  145.805   0.9690 20628.54  274.205 20211.41  383.022 21067.08  392.729  144.294   1.3674  147.317   1.3733 -3.022675 1.938029 
1 1 1    6   17    9 o  179.825   1.0993 31390.85  383.730 31131.32  540.054 31655.47  545.337  179.074   1.5536  180.575   1.5558 -1.501175 2.198650 
1 1 1    6   17   10 o  266.988   1.2503 69232.75  645.218 68914.17  956.529 69498.73  873.998  266.421   1.8495  267.556   1.6828 -1.134857 2.500525 
1 1 1    6   17   11 o   89.561   0.7349  7788.10  127.729  7672.85  181.719  7900.65  179.573   88.906   1.0529   90.216   1.0254 -1.310455 1.469732 
1 1 1    6   17   12 o  130.969   0.9119 16664.54  231.663 16089.19  329.707 17225.54  325.574  128.734   1.3194  133.204   1.2591 -4.470108 1.823771 
1 1 1    6   17   13 o  149.881   1.0201 21809.30  296.761 21546.67  416.030 22081.36  423.436  148.963   1.4387  150.799   1.4465 -1.836624 2.040189 
1 1 1    6   17   14 o  232.722   1.2190 52551.16  548.463 53180.45  815.105 52030.51  741.409  233.987   1.7946  231.457   1.6501 2.529861 2.437913 
1 1 1    6   17   15 o  271.321   1.4035 71447.88  721.431 71882.39  1155.43 71170.26  923.586  271.965   2.1886  270.677   1.7578 1.288483 2.807082 
1 1 1    6   17   16 o   24.484   1.0322  582.699   48.787  578.381   72.771  586.225   65.752   24.400   1.5364   24.567   1.3788 -0.1670742 2.064322 
1 1 1    6   17   17 o   64.839   0.6963  4085.19   87.566  3979.32  125.291  4186.28  122.432   64.016   1.0082   65.661   0.9606 -1.644974 1.392556 
1 1 1    6   17   18 o  108.604   0.8764 11446.21  184.591 11686.26  267.818 11228.98  254.773  109.686   1.2578  107.521   1.2207 2.164970 1.752755 
1 1 1    6   17   19 o   48.734   0.7048  2306.77   66.526  2303.05   97.348  2310.03   91.124   48.696   1.0298   48.772   0.9625 -0.7571030E-01 1.409593 
1 1 1    6   17   20 f   19.524   1.3943  368.526   52.331  446.924   77.231  301.976   71.157   21.434   1.8562   17.614   2.0811 3.820507 2.788656 
1 1 1    6   17   21 o  147.352   1.2989 21124.22  371.489 21367.32  530.627 20890.54  520.256  148.182   1.8447  146.523   1.8291 1.659393 2.597834 
1 1 1    6   17   22 o   50.787   0.7578  2504.18   74.564  2537.82  109.171  2474.77  102.085   51.105   1.1005   50.469   1.0420 0.6359520 1.515513 
1 1 1    6   17   23 o   92.201   0.8942  8266.11  160.031  8242.90  227.443  8288.87  225.211   92.071   1.2726   92.330   1.2566 -0.2584686 1.788398 
1 1 1    6   17   24 o   84.532   0.8595  6949.11  140.995  6914.91  201.460  6981.94  197.396   84.326   1.2307   84.738   1.2000 -0.4117355 1.718948 
1 1 1    6   17   25 o   50.827   0.8210  2513.62   80.999  2484.05  114.901  2542.84  114.203   50.529   1.1714   51.126   1.1507 -0.5965729 1.642084 
1 1 1    6   17   26 o   50.038   0.8386  2440.73   81.157  2408.37  119.598  2468.34  110.488   49.723   1.2391   50.353   1.1304 -0.6306763 1.677230 
1 1 1    6   17   27 o   52.822   0.8450  2720.34   86.279  2720.73  127.993  2720.02  116.808   52.814   1.2484   52.829   1.1390 -0.1492310E-01 1.689967 
1 1 1    6   17   28 f   45.965   0.8797  2070.82   77.755  2020.58  117.514  2109.95  103.700   45.444   1.3321   46.486   1.1492 -1.041683 1.759319 
1 1 1    6   17   29 o   19.372   1.7253  386.788   62.311  339.462   99.388  417.436   79.981   18.261   2.8037   20.483   2.0116 -2.221464 3.450677 
1 1 1    6   17   30 o   17.131   2.0921  316.021   65.650  266.040  101.576  351.876   86.033   15.615   3.4437   18.647   2.3768 -3.032577 4.184224 
1 1 1    6   17   31 o   14.328   2.3898  221.788   67.011  323.444  101.322  142.753   89.340   17.271   3.1377   11.384   3.6055 5.887391 4.779622 
1 1 1    6   17   32 o   15.006   3.1725  273.694   98.597  343.069  155.216  226.764  127.662   16.414   4.6562   13.597   4.3104 2.817023 6.345042 
1 1 1    6   18    0 o  222.522   1.1555 48066.75  499.114 47817.58  702.438 48320.83  709.320  221.940   1.6304  223.105   1.6378 -1.164627 2.311027 
1 1 1    6   18    1 o  173.665   1.0335 29275.06  348.386 29098.94  489.936 29455.20  495.495  173.137   1.4578  174.193   1.4654 -1.056488 2.066955 
1 1 1    6   18    2 o  227.955   1.1697 50442.59  517.598 50224.04  728.816 50664.98  735.214  227.457   1.6506  228.454   1.6579 -0.9961395 2.339478 
1 1 1    6   18    3 o  151.904   0.9799 22399.18  288.950 22434.83  407.703 22363.21  409.578  152.026   1.3815  151.783   1.3901 0.2429657 1.959853 
1 1 1    6   18    4 o  190.012   1.0878 35048.72  401.206 35152.04  565.900 34944.31  568.894  190.294   1.5320  189.730   1.5446 0.5633392 2.175513 
1 1 1    6   18    5 o  427.955   1.6232 177799.91  1345.90 177422.80  1846.62 178227.20  1965.74  427.476   2.2254  428.435   2.3636 -0.9583740 3.246362 
1 1 1    6   18    6 o  175.653   1.0543 29947.19  359.465 29579.92  504.533 30325.82  512.275  174.560   1.4890  176.747   1.4931 -2.187103 2.108624 
1 1 1    6   18    7 o   79.909   0.6659  6197.15  103.277  6135.69  144.815  6260.77  147.330   79.506   0.9383   80.312   0.9450 -0.8062439 1.331732 
1 1 1    6   18    8 o  345.703   1.4118 116020.80  947.255 115299.60  1326.40 116771.50  1353.24  344.608   1.9828  346.799   2.0102 -2.191132 2.823542 
1 1 1    6   18    9 o  196.495   1.1521 37484.98  439.388 37524.18  616.406 37444.49  626.494  196.600   1.6152  196.390   1.6434 0.2097321 2.304211 
1 1 1    6   18   10 o   98.253   0.7768  9369.60  148.063  9403.16  213.476  9338.48  205.535   98.422   1.1174   98.083   1.0795 0.3386688 1.553648 
1 1 1    6   18   11 o  197.264   1.2161 37784.57  463.763 37768.88  687.729 37797.65  628.046  197.223   1.7964  197.305   1.6398 -0.8209229E-01 2.432250 
1 1 1    6   18   12 o   78.620   0.7040  5996.49  107.386  6107.52  155.047  5894.11  148.876   79.319   1.0070   77.921   0.9842 1.397835 1.408097 
1 1 1    6   18   13 o  140.987   1.0199 19299.67  278.596 19336.56  406.805 19267.09  382.322  141.112   1.4851  140.862   1.3982 0.2497253 2.039736 
1 1 1    6   18   14 f  233.740   1.4347 53078.11  650.965 53446.89  922.461 52712.29  918.757  234.549   2.0260  232.931   2.0319 1.618118 2.869422 
1 1 1    6   18   15 o  103.203   0.8396 10341.90  168.197 10351.62  237.306 10332.09  238.432  103.252   1.1840  103.154   1.1907 0.9772491E-01 1.679187 
1 1 1    6   18   16 o   30.042   0.8428  869.504   48.641  923.351   75.264  830.882   63.742   30.834   1.2575   29.251   1.1226 1.582727 1.685647 
1 1 1    6   18   17 o  112.521   0.8715 12303.01  190.223 12118.63  272.928 12477.18  265.266  111.699   1.2587  113.343   1.2057 -1.643761 1.742987 
1 1 1    6   18   18 o   34.222   0.8064  1126.01   53.263  1246.06   80.806  1033.78   70.827   35.818   1.1622   32.625   1.1184 3.192505 1.612887 
1 1 1    6   18   19 o   63.931   0.7155  3972.01   88.729  3822.17  125.986  4119.48  124.982   62.733   1.0346   65.129   0.9886 -2.396019 1.430953 
1 1 1    6   18   20 o   82.523   0.8213  6618.28  131.516  6513.06  187.833  6719.48  184.203   81.878   1.1818   83.168   1.1410 -1.290062 1.642688 
1 1 1    6   18   21 o   45.796   1.1113  2044.32   98.146  1995.68  146.520  2083.90  132.184   45.295   1.6664   46.297   1.4708 -1.001587 2.222661 
1 1 1    6   18   22 o   30.407   0.9882  898.609   57.968  902.689   87.055  895.360   77.700   30.466   1.4720   30.348   1.3189 0.1179695 1.976457 
1 1 1    6   18   23 o   40.081   1.0617  1565.13   78.059  1557.15  134.363  1569.20   95.902   39.987   1.7310   40.175   1.2297 -0.1877785 2.123339 
1 1 1    6   18   24 o   35.116   0.9769  1191.50   66.322  1293.37   99.426  1109.84   89.022   36.458   1.4049   33.775   1.3578 2.682781 1.953822 
1 1 1    6   18   25 o   43.011   0.8805  1799.11   73.449  1837.46  106.593  1764.44  101.351   43.445   1.2639   42.577   1.2263 0.8682861 1.761046 
1 1 1    6   18   26 o   71.343   0.8110  4966.09  112.077  4759.15  161.670  5157.57  155.511   69.900   1.1915   72.786   1.1006 -2.886047 1.622045 
1 1 1    6   18   27 o   55.249   0.8349  2980.03   89.420  2828.47  127.270  3127.78  125.662   53.852   1.2175   56.646   1.1428 -2.794014 1.669812 
1 1 1    6   18   28 o   22.330   1.4991  493.516   64.326  501.139   98.491  487.845   84.947   22.448   2.2602   22.213   1.9701 0.2355690 2.998285 
1 1 1    6   18   29 o   9.4258   2.4860   73.795   59.872   94.109   95.842   60.794   76.673   10.152   3.7197   8.6996   3.2990 1.452283 4.971901 
1 1 1    6   18   30 o   25.173   1.4631  649.065   69.559  561.394  106.780  713.693   91.681   23.552   2.3356   26.793   1.7628 -3.240454 2.926121 
1 1 1    6   18   31 o   10.526   2.6522  108.467   69.067  156.286  104.421   71.274   92.090   11.835   3.9102   9.2169   3.5842 2.618386 5.304401 
1 1 1    6   18   32 o   9.0125   2.7988   19.442   93.682   21.195  141.415   18.071  125.060   9.2398   4.0667   8.7852   3.8464 0.4545994 5.597546 
1 1 1    6   19    0 o  125.662   0.9583 15349.85  230.156 15204.91  357.496 15452.45  300.781  125.154   1.4715  126.171   1.2281 -1.017342 1.916637 
1 1 1    6   19    1 o  332.483   1.4434 107322.50  931.600 107716.80  1317.53 106928.20  1317.44  333.094   2.0376  331.872   2.0450 1.221863 2.886866 
1 1 1    6   19    2 o  413.277   1.6228 165812.00  1301.77 167528.00  1852.94 164139.70  1829.25  415.388   2.2980  411.166   2.2919 4.221680 3.245505 
1 1 1    6   19    3 o   39.009   0.5275  1486.71   38.089  1444.34   63.960  1509.99   47.412   38.575   0.8542   39.442   0.6192 -0.8672829 1.055009 
1 1 1    6   19    4 o  326.048   1.3589 103186.90  859.898 102292.90  1201.81 104124.60  1230.87  324.602   1.9073  327.494   1.9362 -2.892059 2.717826 
1 1 1    6   19    5 o   71.799   0.6166  5002.94   85.930  4902.10  120.706  5106.57  122.359   71.066   0.8750   72.533   0.8690 -1.467049 1.233215 
1 1 1    6   19    6 o   88.724   0.7218  7635.21  124.247  7811.68  179.359  7472.40  172.279   89.709   1.0300   87.740   1.0115 1.969597 1.443600 
1 1 1    6   19    7 o  261.921   1.2718 66593.52  646.547 66038.64  906.513 67168.02  922.404  260.811   1.7905  263.031   1.8065 -2.220062 2.543547 
1 1 1    6   19    8 o  212.560   1.1829 43858.73  488.062 43459.98  684.824 44270.32  695.753  211.578   1.6674  213.542   1.6784 -1.963028 2.365892 
1 1 1    6   19    9 o  271.817   1.3146 71731.32  693.587 71417.80  975.429 72051.96  986.423  271.217   1.8527  272.418   1.8654 -1.200897 2.629108 
1 1 1    6   19   10 o  275.972   1.2637 74003.46  674.264 73322.72  997.032 74577.16  915.307  274.797   1.8691  277.148   1.7013 -2.350494 2.527463 
1 1 1    6   19   11 o  232.401   1.1951 52404.69  536.985 52860.08  797.497 52026.96  726.308  233.320   1.7608  231.482   1.6164 1.838074 2.390201 
1 1 1    6   19   12 o   64.445   0.6288  4031.59   78.661  4032.01  110.556  4031.15  111.945   64.448   0.8837   64.441   0.8949 0.7034302E-02 1.257687 
1 1 1    6   19   13 o   89.919   0.7462  7850.40  130.244  7780.94  184.914  7918.77  183.480   89.524   1.0641   90.314   1.0466 -0.7898483 1.492490 
1 1 1    6   19   14 o  209.453   1.2806 42595.75  518.555 42817.95  769.608 42411.00  701.774  209.946   1.8884  208.960   1.7301 0.9855347 2.561115 
1 1 1    6   19   15 o  172.161   1.0842 28805.21  361.853 28478.29  523.771 29103.72  500.498  171.222   1.5759  173.100   1.4895 -1.877579 2.168393 
1 1 1    6   19   16 o  188.544   1.1954 34613.71  433.064 34050.00  658.502 35043.32  574.871  187.172   1.8124  189.916   1.5593 -2.744675 2.390884 
1 1 1    6   19   17 o   99.606   0.8462  9639.00  163.498  9552.68  234.960  9720.04  227.655   99.172   1.2205  100.040   1.1723 -0.8677216 1.692315 
1 1 1    6   19   18 o   59.714   0.6954  3461.43   80.426  3481.91  117.884  3443.59  110.005   59.878   1.0142   59.550   0.9516 0.3283348 1.390753 
1 1 1    6   19   19 o   58.332   0.7135  3304.56   80.749  3305.84  116.219  3303.36  112.275   58.342   1.0262   58.321   0.9917 0.2062225E-01 1.427092 
1 1 1    6   19   20 o  128.144   1.0626 15965.10  264.019 15924.19  382.438 16002.35  364.936  127.982   1.5394  128.306   1.4652 -0.3237152 2.125223 
1 1 1    6   19   21 o   53.382   0.7367  2768.42   76.117  2766.91  111.952  2769.72  103.800   53.367   1.0807   53.397   1.0014 -0.3073883E-01 1.473324 
1 1 1    6   19   22 o   23.195   1.3069  524.128   58.646  520.326   86.376  527.380   79.879   23.114   1.9251   23.276   1.7679 -0.1624584 2.613739 
1 1 1    6   19   23 o   62.230   0.7851  3762.53   94.773  3797.83  136.773  3729.93  131.445   62.509   1.1272   61.950   1.0930 0.5586777 1.570119 
1 1 1    6   19   24 f   70.512   0.8031  4839.23  109.804  4693.26  157.550  4977.11  153.119   69.473   1.1683   71.550   1.1024 -2.077293 1.606291 
1 1 1    6   19   25 f   31.713   1.0887  985.244   66.650  928.859   97.802  1034.14   91.072   30.853   1.6330   32.574   1.4403 -1.720808 2.177414 
1 1 1    6   19   26 o   34.528   0.9689  1161.07   64.239  1175.12   98.613  1150.72   84.669   34.697   1.4641   34.359   1.2695 0.3380737 1.937818 
1 1 1    6   19   27 o   57.757   0.8299  3250.04   92.870  3303.47  135.982  3203.34  127.140   58.195   1.2037   57.320   1.1426 0.8746071 1.659708 
1 1 1    6   19   28 o   30.795   1.1419  934.589   67.878  912.428  100.826  952.958   91.796   30.437   1.7065   31.153   1.5179 -0.7158890 2.283897 
1 1 1    6   19   29 o   30.768   1.1223  928.237   65.744  959.190  104.357  907.869   84.656   31.147   1.7260   30.388   1.4351 0.7586441 2.244672 
1 1 1    6   19   30 o   12.135   2.7792  165.264   73.593  116.330  137.694  184.832   87.072   11.308   4.3869   12.961   3.4135 -1.653034 5.558460 
1 1 1    6   19   31 o   14.603   2.7304  247.688   78.531  260.730  105.037  231.159  118.252   15.161   3.6191   14.044   4.0892 1.116971 5.460746 
1 1 1    6   20    0 o  193.674   1.2703 36395.20  460.389 36343.33  578.488 36484.83  760.350  193.492   1.5402  193.857   2.0205 -0.3658142 2.540602 
1 1 1    6   20    1 o   51.694   0.6393  2593.39   64.145  2536.43   90.101  2651.93   91.342   51.119   0.9080   52.270   0.9002 -1.150894 1.278619 
1 1 1    6   20    2 o  239.550   1.2036 55707.89  559.663 55877.87  789.513 55536.21  793.469  239.917   1.6952  239.182   1.7090 0.7349701 2.407168 
1 1 1    6   20    3 o  349.266   1.4309 118433.00  967.929 118436.50  1325.13 118429.10  1417.22  349.275   1.9545  349.257   2.0904 0.1748657E-01 2.861754 
1 1 1    6   20    4 o  406.752   1.6340 160487.41  1288.82 157419.59  1775.54 163904.20  1873.77  402.650   2.2716  410.854   2.3494 -8.204010 3.268048 
1 1 1    6   20    5 o  351.056   1.4019 119647.90  955.208 119383.20  1339.31 119921.90  1362.73  350.662   1.9676  351.451   1.9975 -0.7886658 2.803778 
1 1 1    6   20    6 o  325.519   1.3830 102879.10  873.885 103259.70  1233.79 102495.90  1237.94  326.124   1.9489  324.915   1.9628 1.209076 2.765987 
1 1 1    6   20    7 o  271.009   1.2926 71296.46  679.950 70726.66  952.778 71887.87  970.661  269.906   1.8185  272.112   1.8376 -2.205872 2.585301 
1 1 1    6   20    8 o   52.865   0.5856  2712.64   60.092  2699.45   84.618  2726.06   85.352   52.736   0.8266   52.995   0.8297 -0.2593231 1.171174 
1 1 1    6   20    9 o  352.210   1.4470 120453.40  989.282 121119.00  1399.16 119788.00  1398.95  353.183   2.0408  351.236   2.0518 1.946777 2.893932 
1 1 1    6   20   10 o  173.595   1.0870 29258.23  366.296 29382.38  517.354 29133.45  518.689  173.964   1.5320  173.225   1.5425 0.7388458 2.174038 
1 1 1    6   20   11 o   68.775   0.7946  4576.81  100.136  4637.08  173.564  4546.74  122.597   69.111   1.2937   68.439   0.9228 0.6722031 1.589131 
1 1 1    6   20   12 o   20.720   0.9750  415.225   39.104  437.861   58.002  396.364   52.945   21.235   1.4071   20.204   1.3499 1.030966 1.949925 
1 1 1    6   20   13 o   54.596   0.7260  2903.59   72.712  2863.49  124.894  2924.16   89.431   54.307   1.1847   54.884   0.8394 -0.5769043 1.451962 
1 1 1    6   20   14 o  109.153   0.8525 11568.38  180.628 11509.24  255.240 11627.71  255.654  108.873   1.2077  109.433   1.2035 -0.5590744 1.704973 
1 1 1    6   20   15 f  115.010   0.8764 12849.71  195.588 12508.05  277.373 13187.60  275.839  113.488   1.2591  116.532   1.2194 -3.044205 1.752759 
1 1 1    6   20   16 o  129.346   1.0501 16247.12  263.383 16391.65  382.308 16116.56  363.372  129.891   1.5162  128.802   1.4533 1.089401 2.100279 
1 1 1    6   20   17 o   82.592   0.7607  6627.00  121.878  6546.10  174.841  6703.48  169.985   82.100   1.0971   83.083   1.0540 -0.9829483 1.521318 
1 1 1    6   20   18 o  106.764   0.8712 11074.98  180.438 11027.54  259.687 11119.27  250.896  106.541   1.2556  106.987   1.2081 -0.4459457 1.742446 
1 1 1    6   20   19 o  104.338   0.9139 10565.01  184.835 10801.30  269.852 10356.19  253.688  105.434   1.3185  103.243   1.2658 2.190781 1.827775 
1 1 1    6   20   20 o  105.172   0.9495 10750.63  193.809 10705.41  276.332 10794.42  271.897  104.953   1.3563  105.391   1.3290 -0.4381866 1.898948 
1 1 1    6   20   21 o   25.739   1.1401  643.911   56.797  652.058   83.810  636.992   77.239   25.888   1.6678   25.591   1.5548 0.2967052 2.280132 
1 1 1    6   20   22 f   73.469   0.7994  5245.77  113.986  5243.08  162.571  5248.38  159.864   73.450   1.1402   73.489   1.1206 -0.3874207E-01 1.598729 
1 1 1    6   20   23 o  113.133   1.0416 12453.89  228.742 12423.43  324.530 12483.96  322.460  112.994   1.4796  113.272   1.4665 -0.2774124 2.083218 
1 1 1    6   20   24 o   72.966   0.8073  5174.88  114.180  5219.93  166.283  5134.70  157.062   73.263   1.1692   72.669   1.1134 0.5938263 1.614557 
1 1 1    6   20   25 o   11.249   2.5412  122.126   62.702  145.631   93.183  102.677   84.763   12.035   3.6617   10.463   3.5244 1.571710 5.082314 
1 1 1    6   20   26 o   27.410   1.2169  748.371   62.833  675.043   98.940  797.933   81.342   26.233   1.9429   28.586   1.4659 -2.352942 2.433877 
1 1 1    6   20   27 o   41.596   0.9253  1685.43   74.614  1792.51  108.769  1590.24  102.547   42.841   1.3079   40.351   1.3092 2.489655 1.850570 
1 1 1    6   20   28 f   21.394   1.6062  461.918   65.775  411.622   97.888  503.322   88.814   20.262   2.4888   22.526   2.0311 -2.264164 3.212424 
1 1 1    6   20   29 o   17.457   1.8438  306.729   61.508  320.075   96.583  297.623   79.777   17.715   2.8086   17.198   2.3897 0.5174904 3.687626 
1 1 1    6   20   30 o   11.818   2.6503  152.213   67.647  159.304  104.301  147.065   88.875   12.038   3.9046   11.599   3.5846 0.4390182 5.300537 
1 1 1    6   20   31 o   29.517   1.6931  879.693   95.591  994.843  151.529  803.575  123.199   31.002   2.5179   28.031   2.2642 2.971636 3.386168 
1 1 1    6   21    0 o  282.155   1.4744 77438.34  783.622 77901.27  996.042 76686.39  1269.45  283.274   1.8114  281.037   2.3270 2.237549 2.948863 
1 1 1    6   21    1 o   28.219   0.6391  811.595   29.907  851.505   34.772  698.161   58.622   29.619   0.6048   26.819   1.1260 2.800077 1.278163 
1 1 1    6   21    2 o  171.333   1.0273 28491.59  341.608 28264.07  478.071 28728.97  488.307  170.635   1.4433  172.032   1.4622 -1.397293 2.054577 
1 1 1    6   21    3 o  311.357   1.3406 94118.47  810.215 94325.30  1142.80 93909.43  1148.86  311.701   1.8887  311.012   1.9029 0.6885376 2.681122 
1 1 1    6   21    4 o  109.539   0.9211 11693.73  191.167 11865.78  245.961 11431.23  303.813  110.563   1.1460  108.516   1.4423 2.046638 1.842150 
1 1 1    6   21    5 o  118.802   0.8504 13700.42  196.108 13724.88  276.654 13675.71  278.030  118.908   1.1986  118.695   1.2067 0.2132721 1.700774 
1 1 1    6   21    6 o  493.517   1.7258 236188.09  1647.14 232921.91  2227.47 240128.91  2446.74  489.767   2.3429  497.267   2.5347 -7.500305 3.451689 
1 1 1    6   21    7 o   68.839   0.6241  4599.14   83.383  4696.87  118.637  4503.73  117.218   69.562   0.8786   68.117   0.8865 1.445251 1.248116 
1 1 1    6   21    8 o  303.228   1.3672 89268.48  804.711 90393.70  1142.46 88160.55  1133.66  305.124   1.9289  301.331   1.9381 3.793030 2.734347 
1 1 1    6   21    9 o  240.682   1.2634 56246.02  590.253 56507.86  834.108 55983.38  835.382  241.244   1.7812  240.121   1.7922 1.122742 2.526762 
1 1 1    6   21   10 o  134.175   0.9386 17470.40  244.399 17167.71  340.917 17790.43  350.550  132.980   1.3207  135.370   1.3340 -2.389954 1.877178 
1 1 1    6   21   11 o  207.915   1.1449 41996.66  460.998 41675.32  673.935 42279.24  631.984  207.164   1.6759  208.667   1.5602 -1.502472 2.289721 
1 1 1    6   21   12 o   67.204   0.6530  4382.69   85.171  4274.43  119.161  4495.76  121.780   66.356   0.9251   68.052   0.9219 -1.696335 1.306013 
1 1 1    6   21   13 o   47.058   0.6376  2150.34   58.226  2121.67   83.074  2178.02   81.633   46.750   0.9154   47.367   0.8878 -0.6171188 1.275235 
1 1 1    6   21   14 o  250.947   1.3368 61179.16  651.158 60652.45  913.780 61722.56  928.141  249.850   1.8841  252.043   1.8970 -2.192642 2.673654 
1 1 1    6   21   15 o  121.525   0.9216 14335.71  217.219 14532.72  314.495 14156.00  300.379  122.322   1.3245  120.729   1.2817 1.593170 1.843108 
1 1 1    6   21   16 o  195.101   1.1665 37020.61  441.013 36428.29  640.043 37556.04  608.524  193.606   1.7030  196.596   1.5946 -2.989777 2.333013 
1 1 1    6   21   17 o  160.796   1.1462 25116.43  357.087 25304.45  522.398 24951.52  489.227  161.355   1.6678  160.238   1.5728 1.117020 2.292478 
1 1 1    6   21   18 o  112.347   0.9263 12270.85  201.874 12013.13  289.101 12516.10  282.015  111.192   1.3394  113.501   1.2800 -2.309219 1.852667 
1 1 1    6   21   19 o   87.542   0.8283  7444.70  140.737  7274.37  198.330  7617.46  199.741   86.533   1.1807   88.551   1.1620 -2.018425 1.656599 
1 1 1    6   21   20 o   91.628   0.8778  8151.35  155.970  8299.76  226.611  8017.75  214.997   92.418   1.2632   90.838   1.2193 1.579948 1.755625 
1 1 1    6   21   21 o   65.358   0.7688  4149.90   97.475  4170.11  140.560  4131.18  135.293   65.510   1.1053   65.206   1.0689 0.3041000 1.537593 
1 1 1    6   21   22 o   68.159   0.7802  4510.97  103.149  4612.48  149.455  4418.65  142.540   68.889   1.1176   67.428   1.0890 1.460632 1.560451 
1 1 1    6   21   23 o   29.262   1.1059  828.645   62.599  891.981   93.452  777.098   84.308   30.269   1.5905   28.255   1.5371 2.013575 2.211859 
1 1 1    6   21   24 o   38.019   0.9302  1411.52   68.190  1362.26  101.515  1452.02   92.048   37.406   1.3980   38.633   1.2274 -1.226372 1.860410 
1 1 1    6   21   25 o   21.490   1.5761  466.722   63.734  360.013   94.249  556.634   86.514   19.124   2.5388   23.856   1.8682 -4.732315 3.152102 
1 1 1    6   21   26 o   23.753   1.3702  545.438   62.463  607.935   97.615  502.106   81.282   24.876   2.0215   22.629   1.8504 2.246544 2.740484 
1 1 1    6   21   27 o   47.319   0.8645  2185.08   79.188  2198.66  116.573  2173.44  107.906   47.446   1.2657   47.192   1.1779 0.2531166 1.729019 
1 1 1    6   21   28 o   24.845   1.3298  610.497   64.100  631.155   92.569  591.466   88.848   25.246   1.8889   24.444   1.8725 0.8024750 2.659684 
1 1 1    6   21   29 o   13.700   2.3343  193.501   61.198  267.303   97.087  144.845   78.830   15.783   3.2761   11.618   3.3261 4.165076 4.668646 
1 1 1    6   21   30 o   34.834   1.1130  1203.68   74.800  1198.70  111.959  1207.69  100.529   34.727   1.6608   34.941   1.4822 -0.2137337 2.226019 
1 1 1    6   21   31 o   12.823   3.0954  184.984   92.055  252.946  144.683  138.759  119.322   14.326   4.5938   11.320   4.1500 3.005674 6.190752 
1 1 1    6   22    0 o  193.993   1.2826 36563.53  465.198 36640.86  584.371 36429.72  768.657  194.279   1.5495  193.706   2.0442 0.5732422 2.565105 
1 1 1    6   22    1 o  100.590   1.0317  9825.88  200.650  9862.93  272.181  9781.78  296.960  100.799   1.3910  100.382   1.5240 0.4170151 2.063371 
1 1 1    6   22    2 o  230.528   1.3915 51493.77  600.711 51212.05  754.813 51980.44  992.079  229.679   1.6930  231.377   2.2088 -1.698746 2.783001 
1 1 1    6   22    3 o  113.358   0.8199 12468.28  180.381 12246.46  251.757 12702.29  258.576  112.322   1.1547  114.393   1.1645 -2.071205 1.639869 
1 1 1    6   22    4 o  184.583   1.0826 33066.45  387.824 32632.43  542.325 33520.70  554.820  183.344   1.5238  185.822   1.5381 -2.478256 2.165122 
1 1 1    6   22    5 o  330.861   1.3923 106249.40  893.977 105015.10  1246.26 107557.80  1283.09  328.883   1.9521  332.839   1.9859 -3.955933 2.784695 
1 1 1    6   22    6 o  179.440   1.0887 31258.74  379.229 31367.53  536.197 31149.85  536.424  179.753   1.5367  179.128   1.5427 0.6249542 2.177452 
1 1 1    6   22    7 o  125.609   0.9016 15314.13  219.833 15472.66  313.166 15160.12  308.664  126.250   1.2778  124.968   1.2724 1.281555 1.803290 
1 1 1    6   22    8 o  208.923   1.1771 42373.60  477.340 42092.80  670.331 42662.48  679.892  208.221   1.6584  209.625   1.6708 -1.403854 2.354159 
1 1 1    6   22    9 o  145.869   0.9943 20656.62  281.546 20835.88  399.243 20479.28  397.098  146.498   1.4039  145.239   1.4085 1.259186 1.988661 
1 1 1    6   22   10 o   92.267   0.7622  8264.58  136.499  8225.76  193.894  8302.72  192.193   92.052   1.0851   92.482   1.0706 -0.4298325 1.524325 
1 1 1    6   22   11 o  155.073   1.0165 23363.12  305.627 23072.35  441.802 23629.97  423.240  154.146   1.4765  156.001   1.3976 -1.855209 2.033081 
1 1 1    6   22   12 o  114.629   0.8594 12742.18  191.034 13077.71  277.971 12441.88  262.977  116.056   1.2339  113.201   1.1967 2.855263 1.718896 
1 1 1    6   22   13 o  120.031   0.8824 13998.07  205.463 13603.07  292.916 14380.66  288.277  118.362   1.2749  121.700   1.2203 -3.338036 1.764743 
1 1 1    6   22   14 o  140.397   1.2256 19107.06  324.560 19334.43  526.758 18967.91  412.071  141.052   1.9238  139.741   1.5191 1.310837 2.451274 
1 1 1    6   22   15 o   59.401   0.6556  3424.43   75.529  3459.35  109.407  3392.63  104.398   59.690   0.9442   59.112   0.9098 0.5775795 1.311233 
1 1 1    6   22   16 o  136.107   0.9933 18003.18  262.202 17853.08  378.132 18142.18  363.896  135.558   1.4370  136.657   1.3718 -1.099121 1.986627 
1 1 1    6   22   17 o   77.214   0.7330  5786.35  109.769  5868.40  159.153  5711.90  151.597   77.735   1.0547   76.693   1.0183 1.042038 1.466061 
1 1 1    6   22   18 o  112.181   1.1984 12237.04  251.327 12240.05  315.527 12231.83  415.693  112.226   1.4484  112.135   1.9097 0.9103394E-01 2.396818 
1 1 1    6   22   19 o   28.135   1.0269  763.034   55.850  849.812   83.572  693.004   75.076   29.569   1.4560   26.702   1.4484 2.866802 2.053758 
1 1 1    6   22   20 o  112.740   1.0267 12344.90  224.565 12695.60  324.487 12022.53  311.102  114.274   1.4628  111.206   1.4411 3.067696 2.053463 
1 1 1    6   22   21 o   56.775   0.7610  3131.30   83.857  3163.62  119.936  3100.38  117.291   57.061   1.0828   56.488   1.0696 0.5724678 1.522035 
1 1 1    6   22   22 o   65.248   0.7739  4136.97   97.962  4158.04  141.137  4117.38  136.079   65.407   1.1116   65.089   1.0770 0.3177490 1.547780 
1 1 1    6   22   23 o  102.706   0.9700 10260.32  193.317 10343.80  277.883 10182.02  269.113  103.108   1.3884  102.305   1.3551 0.8036041 1.940067 
1 1 1    6   22   24 o   14.500   2.2099  213.422   60.226  240.355   89.724  191.336   81.251   15.340   3.1193   13.659   3.1312 1.680880 4.419848 
1 1 1    6   22   25 o   61.211   0.8023  3655.04   95.115  3501.26  137.348  3796.74  131.845   59.964   1.1800   62.458   1.0875 -2.494328 1.604639 
1 1 1    6   22   26 o   23.945   1.3692  561.078   63.420  585.601   94.457  540.949   85.577   24.412   1.9933   23.479   1.8776 0.9329090 2.738369 
1 1 1    6   22   27 o   24.736   1.3709  598.781   65.533  654.042   98.547  554.971   87.745   25.744   1.9720   23.727   1.9050 2.016777 2.741874 
1 1 1    6   22   28 o   15.722   2.1721  260.728   63.799  264.564   93.447  257.379   87.315   15.801   3.1571   15.644   2.9841 0.1564560 4.344253 
1 1 1    6   22   29 o   18.666   1.7559  362.613   61.406  305.855   95.247  402.984   80.328   17.258   2.8431   20.073   2.0616 -2.814272 3.511853 
1 1 1    6   22   30 o   26.509   1.4073  708.488   72.133  677.717  105.269  735.726   99.040   25.917   2.0924   27.102   1.8825 -1.184820 2.814649 
1 1 1    6   22   31 o   21.346   2.4016  509.311   94.510  479.078  147.342  530.445  123.192   20.329   3.8752   22.362   2.8379 -2.032999 4.803196 
1 1 1    6   23    0 o  111.571   0.9659 12164.72  200.066 12368.04  249.993 11802.54  333.654  112.878   1.1409  110.263   1.5588 2.615585 1.931751 
1 1 1    6   23    1 o   93.393   0.8743  8476.93  149.936  8498.41  184.385  8435.02  257.607   93.569   1.0151   93.216   1.4236 0.3532639 1.748507 
1 1 1    6   23    2 o  215.189   1.3638 44945.80  548.816 44913.62  689.097 45001.61  907.532  215.092   1.6504  215.286   2.1716 -0.1936798 2.727583 
1 1 1    6   23    3 o  106.526   0.9509 10990.92  186.747 10937.25  230.212 11094.19  319.351  106.149   1.1172  106.903   1.5389 -0.7540665 1.901705 
1 1 1    6   23    4 o  203.010   1.1458 40010.99  451.501 40306.63  637.490 39713.45  639.553  203.763   1.6117  202.257   1.6289 1.505356 2.291515 
1 1 1    6   23    5 o  164.060   1.0420 26120.54  331.779 26887.56  473.631 25381.53  464.905  166.424   1.4661  161.696   1.4812 4.728378 2.084039 
1 1 1    6   23    6 o   47.699   0.5567  2207.79   51.536  2243.42   73.698  2173.69   72.095   48.076   0.7897   47.323   0.7848 0.7529602 1.113370 
1 1 1    6   23    7 o  194.538   1.1434 36732.70  431.673 36383.23  602.681 37100.85  618.585  193.589   1.6038  195.488   1.6301 -1.899033 2.286769 
1 1 1    6   23    8 o  117.625   0.8765 13431.46  200.124 13376.38  283.382 13486.26  282.655  117.384   1.2436  117.866   1.2354 -0.4812851 1.752952 
1 1 1    6   23    9 o  109.868   0.8441 11716.13  180.015 11882.82  256.681 11554.80  252.529  110.637   1.1952  109.099   1.1924 1.537697 1.688274 
1 1 1    6   23   10 o  132.205   0.9549 16966.37  245.012 16828.28  342.404 17111.27  350.745  131.654   1.3398  132.756   1.3610 -1.101685 1.909846 
1 1 1    6   23   11 o   91.323   0.7626  8094.10  135.165  8242.53  193.344  7952.23  189.032   92.141   1.0810   90.504   1.0760 1.637032 1.525187 
1 1 1    6   23   12 o   44.236   0.7743  1909.10   64.003  1934.82   80.569  1865.12  105.370   44.643   0.9297   43.829   1.2385 0.8148994 1.548612 
1 1 1    6   23   13 o  119.067   0.8900 13768.42  205.626 13679.33  294.688 13852.96  287.060  118.691   1.2790  119.443   1.2381 -0.7525940 1.780092 
1 1 1    6   23   14 o   96.345   0.7941  9016.80  148.447  8890.75  212.262  9137.47  207.686   95.685   1.1428   97.005   1.1029 -1.320183 1.588199 
1 1 1    6   23   15 o  122.745   0.9413 14638.09  223.748 14579.04  327.495 14689.79  306.412  122.509   1.3771  122.980   1.2835 -0.4710159 1.882517 
1 1 1    6   23   16 o  207.761   1.3076 42007.71  525.699 41406.49  771.743 42528.19  718.059  206.358   1.9266  209.164   1.7685 -2.806381 2.615209 
1 1 1    6   23   17 o  173.604   1.2069 29322.06  405.960 28948.40  590.402 29657.15  559.105  172.544   1.7627  174.663   1.6490 -2.119202 2.413800 
1 1 1    6   23   18 o  113.334   0.9687 12473.53  212.846 12634.51  309.730 12329.49  292.987  114.023   1.3993  112.645   1.3399 1.379021 1.937393 
1 1 1    6   23   19 o   99.683   0.8964  9646.52  173.208  9816.09  252.565  9495.95  237.991  100.507   1.2945   98.859   1.2402 1.647720 1.792717 
1 1 1    6   23   20 o   43.312   0.8023  1815.90   67.038  1881.24  101.308  1765.00   89.415   44.000   1.1861   42.623   1.0807 1.376850 1.604604 
1 1 1    6   23   21 o   70.141   0.7821  4781.12  106.447  4757.41  152.305  4803.77  148.833   69.970   1.1213   70.313   1.0904 -0.3422775 1.564112 
1 1 1    6   23   22 o   70.523   0.7945  4830.58  108.640  4901.04  158.006  4767.40  149.617   71.008   1.1463   70.037   1.1005 0.9708099 1.589050 
1 1 1    6   23   23 o   68.624   0.7932  4579.08  105.561  4560.77  152.408  4595.97  146.347   68.489   1.1464   68.758   1.0965 -0.2688828 1.586303 
1 1 1    6   23   24 o   51.901   0.8182  2619.38   82.262  2649.01  120.545  2593.55  112.539   52.172   1.1903   51.631   1.1229 0.5414200 1.636326 
1 1 1    6   23   25 o   49.851   0.8163  2423.66   78.819  2358.75  114.475  2482.17  108.685   49.209   1.1984   50.493   1.1088 -1.284012 1.632689 
1 1 1    6   23   26 o   29.037   1.1751  833.642   65.413  765.490   98.096  888.210   87.777   27.934   1.8090   30.140   1.5003 -2.205868 2.350197 
1 1 1    6   23   27 o   33.974   1.0201  1129.32   67.017  1152.01   99.636  1110.57   90.564   34.272   1.4977   33.675   1.3854 0.5968323 2.040181 
1 1 1    6   23   28 o   16.264   2.1259  277.919   64.470  284.302   95.194  272.511   87.625   16.401   3.1037   16.126   2.9061 0.2748337 4.251802 
1 1 1    6   23   29 o   24.160   1.3764  582.805   63.538  582.488   98.849  583.029   82.942   24.094   2.1135   24.226   1.7638 -0.1317673 2.752769 
1 1 1    6   23   30 o   25.155   1.4951  641.935   72.432  621.296  108.325  658.624   97.410   24.717   2.2577   25.593   1.9607 -0.8754177 2.990257 
1 1 1    6   23   31 o   16.870   2.8532  330.990   93.910  467.518  143.201  227.970  124.393   20.070   3.8152   13.670   4.2435 6.399176 5.706365 
1 1 1    6   24    0 o   85.702   0.8235  7140.46  129.913  7164.15  160.210  7094.98  221.999   85.911   0.9607   85.492   1.3377 0.4187317 1.646916 
1 1 1    6   24    1 f   94.726   0.8801  8749.45  153.922  8838.98  190.776  8582.47  260.532   95.426   1.0299   94.027   1.4274 1.398491 1.760149 
1 1 1    6   24    2 o  103.810   0.9392 10386.56  178.841 10237.28  218.788 10687.16  310.463  102.696   1.0975  104.924   1.5243 -2.227524 1.878301 
1 1 1    6   24    3 o  257.130   1.4624 63959.25  703.397 63327.61  881.536 65066.14  1166.96  255.401   1.7781  258.859   2.3224 -3.458008 2.924880 
1 1 1    6   24    4 o  226.732   1.4111 50016.72  600.465 50321.08  759.055 49507.73  981.590  227.666   1.7175  225.798   2.2395 1.868744 2.822270 
1 1 1    6   24    5 o  139.143   1.0821 18855.84  286.023 19095.75  369.565 18497.48  451.672  140.253   1.3574  138.032   1.6857 2.221176 2.164286 
1 1 1    6   24    6 o  102.387   0.8010 10176.22  159.187 10152.77  226.389 10199.15  223.879  102.270   1.1404  102.504   1.1251 -0.2335129 1.601993 
1 1 1    6   24    7 o  271.908   1.3132 71777.73  693.057 71226.59  970.651 72350.92  989.894  270.844   1.8462  272.972   1.8681 -2.128021 2.626472 
1 1 1    6   24    8 o   92.527   0.7598  8308.38  136.437  8193.97  190.676  8428.42  195.309   91.875   1.0691   93.180   1.0798 -1.304993 1.519533 
1 1 1    6   24    9 o  172.995   1.0980 29058.19  368.714 29086.10  520.241 29030.03  522.649  173.079   1.5484  172.911   1.5571 0.1672668 2.195972 
1 1 1    6   24   10 o   89.626   0.7471  7798.25  129.976  7780.17  182.855  7816.72  184.786   89.521   1.0522   89.731   1.0609 -0.2098389 1.494206 
1 1 1    6   24   11 o  136.243   0.9682 18019.43  256.026 17744.01  358.354 18306.58  365.914  135.180   1.3656  137.305   1.3729 -2.125854 1.936416 
1 1 1    6   24   12 o  141.119   0.9729 19349.66  266.247 19042.37  383.645 19635.18  369.796  140.036   1.4113  142.202   1.3397 -2.166412 1.945891 
1 1 1    6   24   13 o  115.034   0.8667 12851.44  193.443 12788.26  277.379 12911.26  269.914  114.758   1.2452  115.310   1.2058 -0.5523224 1.733351 
1 1 1    6   24   14 o   49.297   0.6405  2361.30   61.231  2310.68   87.964  2408.89   85.285   48.784   0.9289   49.811   0.8820 -1.026852 1.280949 
1 1 1    6   24   15 o  152.560   1.1063 22612.80  327.063 22654.62  476.971 22575.69  449.337  152.688   1.6092  152.432   1.5186 0.2564087 2.212620 
1 1 1    6   24   16 o  124.897   0.9905 15132.49  239.760 15535.63  350.851 14779.29  328.403  126.452   1.4293  123.341   1.3716 3.111580 1.980989 
1 1 1    6   24   17 o   42.366   0.7309  1743.85   60.058  1727.57   86.487  1759.01   83.462   42.175   1.0564   42.558   1.0103 -0.3832245 1.461740 
1 1 1    6   24   18 o   95.009   0.8682  8768.02  160.048  8823.72  230.290  8715.99  222.591   95.299   1.2449   94.718   1.2106 0.5809937 1.736455 
1 1 1    6   24   19 o   63.732   0.7348  3949.50   90.713  3879.43  132.044  4012.13  124.834   63.195   1.0764   64.270   1.0006 -1.075462 1.469631 
1 1 1    6   24   20 o   49.749   0.7523  2406.23   72.362  2385.87  106.980  2423.40   98.247   49.552   1.1122   49.945   1.0134 -0.3929443 1.504596 
1 1 1    6   24   21 f   27.480   1.1074  726.396   58.531  794.882   90.433  677.027   76.782   28.579   1.6301   26.381   1.4993 2.198198 2.214777 
1 1 1    6   24   22 o   70.662   0.7987  4850.49  109.412  4907.52  159.296  4799.56  150.540   71.053   1.1549   70.272   1.1036 0.7812500 1.597425 
1 1 1    6   24   23 o   24.829   1.2987  591.119   62.069  694.517   95.190  514.641   81.866   26.686   1.8376   22.972   1.8359 3.714174 2.597488 
1 1 1    6   24   24 o   37.690   0.9526  1383.32   69.576  1393.46  101.534  1374.34   95.530   37.816   1.3831   37.563   1.3101 0.2527008 1.905125 
1 1 1    6   24   25 o   61.079   1.0175  3596.50  113.008  3516.38  136.852  3768.25  200.364   60.080   1.1734   62.079   1.6627 -1.999184 2.035060 
1 1 1    6   24   26 o   26.072   1.2590  667.767   63.498  657.295   93.341  676.788   86.632   25.869   1.8588   26.275   1.6985 -0.4064293 2.517932 
1 1 1    6   24   27 o   24.607   1.3102  590.709   62.158  660.594   94.908  538.219   82.253   25.858   1.8908   23.356   1.8142 2.501257 2.620386 
1 1 1    6   24   28 o   24.058   1.5052  604.860   66.366  399.105   96.914  786.551   91.071   19.891   2.5100   28.225   1.6622 -8.334160 3.010450 
1 1 1    6   24   29 o   8.9944   2.3587   58.962   61.975 -37.5058   97.380  124.634   80.347   7.1786   3.2505   10.810   3.4188 -3.631521 4.717377 
1 1 1    6   24   30 o   17.930   2.3593  370.230   77.376  471.093  103.662  243.336  116.273   21.389   2.4967   14.471   4.0039 6.917986 4.718555 
1 1 1    6   24   31 o   31.147   1.6558  1017.30   98.497  900.304  146.799  1113.10  132.837   29.285   2.5823   33.008   2.0732 -3.723103 3.311566 
1 1 1    6   25    0 o  218.837   1.3661 46365.91  558.670 46022.14  699.681 46970.60  927.958  217.730   1.6555  219.944   2.1735 -2.214340 2.732117 
1 1 1    6   25    1 o  348.358   1.6198 117553.50  1058.41 116751.00  1332.58 118924.90  1741.98  346.770   1.9796  349.945   2.5644 -3.174683 3.239589 
1 1 1    6   25    2 o  259.990   1.4718 65685.95  717.807 65844.43  905.897 65418.57  1176.66  260.424   1.7920  259.555   2.3354 0.8689880 2.943661 
1 1 1    6   25    3 o  225.162   1.4679 49219.56  634.537 49176.87  837.407 49277.12  972.385  225.055   1.9168  225.270   2.2237 -0.2157898 2.935800 
1 1 1    6   25    4 o  277.759   1.5146 74927.92  790.796 74970.39  1000.66 74857.28  1290.56  277.879   1.8551  277.639   2.3946 0.2401428 3.029102 
1 1 1    6   25    5 o  101.819   0.9584 10129.60  181.348 10296.61  226.859  9833.96  301.837  102.992   1.1347  100.646   1.5449 2.345566 1.916872 
1 1 1    6   25    6 o  159.659   1.0376 24747.36  321.589 24791.90  454.227 24702.61  455.366  159.803   1.4643  159.515   1.4706 0.2881775 2.075268 
1 1 1    6   25    7 o   58.736   0.6136  3346.50   69.935  3433.93  100.600  3264.73   97.290   59.478   0.8713   57.994   0.8642 1.483845 1.227213 
1 1 1    6   25    8 o  175.128   1.0897 29779.30  370.420 30002.04  522.939 29555.00  524.770  175.786   1.5325  174.471   1.5495 1.315231 2.179316 
1 1 1    6   25    9 o   55.644   0.8036  3008.06   86.732  2896.11  123.271  3117.80  122.054   54.618   1.1627   56.671   1.1095 -2.052521 1.607116 
1 1 1    6   25   10 o  154.857   1.0495 23286.69  315.472 23223.27  444.284 23351.19  448.030  154.644   1.4800  155.069   1.4884 -0.4248962 2.098975 
1 1 1    6   25   11 o   22.352   1.0045  491.684   42.969  409.213   62.073  567.566   59.542   20.527   1.5578   24.177   1.2687 -3.649960 2.009030 
1 1 1    6   25   12 o  340.191   1.4225 112573.40  936.431 110776.90  1374.08 114131.20  1279.58  337.638   2.0965  342.743   1.9232 -5.105591 2.845037 
1 1 1    6   25   13 o   98.082   0.9419  9301.92  172.400  9491.60  287.789  9195.74  215.308   98.850   1.4998   97.314   1.1398 1.536163 1.883743 
1 1 1    6   25   14 o  106.342   0.8783 10982.49  181.260 11011.88  259.569 10954.52  253.229  106.480   1.2558  106.204   1.2283 0.2761459 1.756639 
1 1 1    6   25   15 o  150.235   1.0375 21944.50  302.297 21525.65  434.546 22337.30  420.809  148.841   1.5040  151.629   1.4297 -2.788147 2.075085 
1 1 1    6   25   16 o   62.277   0.6813  3765.55   82.361  3709.44  115.603  3823.39  117.370   61.806   0.9636   62.748   0.9636 -0.9421730 1.362700 
1 1 1    6   25   17 o   62.183   0.8146  3783.92   92.950  3669.60  158.854  3843.44  114.619   61.455   1.3316   62.911   0.9386 -1.456036 1.629142 
1 1 1    6   25   18 o   59.611   0.7078  3453.47   81.828  3392.45  117.676  3510.61  113.864   59.100   1.0257   60.122   0.9756 -1.022457 1.415626 
1 1 1    6   25   19 o   36.149   0.9006  1278.89   62.546  1198.19   93.730  1343.68   83.979   35.110   1.3753   37.188   1.1633 -2.078129 1.801290 
1 1 1    6   25   20 o   8.6982   2.2667   44.389   55.746 -26.5351   82.372  104.324   75.721   6.9768   3.0856   10.419   3.3214 -3.442635 4.533498 
1 1 1    6   25   21 f   28.647   1.0888  796.128   60.369  829.811   89.498  768.007   81.774   29.199   1.5790   28.094   1.4994 1.104576 2.177510 
1 1 1    6   25   22 o   87.899   0.8780  7510.25  149.736  7591.25  215.811  7435.06  207.927   88.353   1.2583   87.444   1.2249 0.9092941 1.756080 
1 1 1    6   25   23 o   25.630   1.2857  639.395   63.832  662.763   93.971  619.376   86.978   26.061   1.8575   25.200   1.7781 0.8618355 2.571355 
1 1 1    6   25   24 o   82.252   0.8540  6587.44  136.333  6427.57  192.366  6748.77  193.246   81.247   1.2197   83.258   1.1957 -2.010559 1.708035 
1 1 1    6   25   25 o   35.502   0.9858  1247.15   66.480  1137.56  102.645  1326.34   87.254   34.116   1.5499   36.887   1.2185 -2.770954 1.971566 
1 1 1    6   25   26 o   24.964   1.3400  612.166   64.753  623.192   95.598  602.819   88.019   25.160   1.9573   24.767   1.8308 0.3928471 2.680092 
1 1 1    6   25   27 o   13.360   2.2220  197.352   60.568   98.071   92.511  271.834   80.129   10.261   3.6688   16.460   2.5078 -6.199350 4.444027 
1 1 1    6   25   28 o   21.004   1.8344  441.629   74.146  410.281   97.451  484.725  114.262   20.163   2.4898   21.845   2.6946 -1.681629 3.668754 
1 1 1    6   25   29 o   42.129   0.9364  1736.46   75.816  1826.62  116.899  1671.00   99.605   43.032   1.3995   41.227   1.2446 1.804543 1.872847 
1 1 1    6   25   30 o   18.228   2.3034  360.050   79.175  349.063  105.381  374.290  119.973   18.149   2.9911   18.307   3.5037 -0.1572037 4.606824 
1 1 1    6   26    0 o   76.419   0.9300  5653.96  137.587  5478.02  186.687  5863.15  203.559   75.121   1.2802   77.716   1.3493 -2.595215 1.860014 
1 1 1    6   26    1 o   96.544   1.0048  9027.46  187.462  8839.83  252.190  9259.17  280.247   95.426   1.3614   97.662   1.4783 -2.235641 2.009670 
1 1 1    6   26    2 o  120.083   1.1140 14040.60  258.415 14480.76  351.953 13525.78  380.638  122.133   1.4845  118.034   1.6613 4.099045 2.227922 
1 1 1    6   26    3 o  334.780   1.6155 108744.60  1017.35 108471.20  1287.70 109198.80  1659.51  334.241   1.9847  335.320   2.5495 -1.078918 3.230936 
1 1 1    6   26    4 o  287.360   1.5401 80028.52  830.510 79584.20  1046.67 80783.77  1364.62  286.302   1.8833  288.419   2.4374 -2.117218 3.080212 
1 1 1    6   26    5 o   78.709   1.7860  6024.04  142.981  6025.23  148.605  6009.15  524.664   78.786   0.9717   78.633   3.4372 0.1521835 3.571938 
1 1 1    6   26    6 o  160.365   1.2129 24816.46  361.045 24454.82  447.529 25490.59  611.020  158.710   1.4526  162.019   1.9428 -3.308838 2.425795 
1 1 1    6   26    7 o  123.295   0.8999 14757.18  215.363 14891.56  305.763 14624.88  303.391  123.852   1.2718  122.738   1.2734 1.114014 1.799710 
1 1 1    6   26    8 o  175.918   1.1159 30049.28  381.077 29957.94  537.443 30141.63  540.417  175.649   1.5762  176.187   1.5801 -0.5375061 2.231882 
1 1 1    6   26    9 o   37.566   0.6536  1370.06   47.652  1377.90   66.854  1361.96   67.939   37.675   0.9141   37.456   0.9344 0.2188148 1.307190 
1 1 1    6   26   10 o   96.106   0.7831  8966.70  146.084  9121.26  207.531  8814.91  205.669   96.927   1.1030   95.286   1.1119 1.641823 1.566195 
1 1 1    6   26   11 o  259.702   1.3377 65516.67  674.377 66101.90  956.353 64937.84  951.096  260.856   1.8886  258.548   1.8950 2.307831 2.675473 
1 1 1    6   26   12 o  122.174   0.9148 14504.80  216.770 14209.80  311.159 14782.97  302.158  120.965   1.3251  123.383   1.2616 -2.418663 1.829627 
1 1 1    6   26   13 o   54.493   0.6408  2882.85   67.762  2895.50   97.040  2870.81   94.665   54.610   0.9154   54.377   0.8968 0.2329292 1.281508 
1 1 1    6   26   14 f   87.395   0.9415  7385.70  151.579  7524.67  260.247  7314.35  186.473   88.004   1.5234   86.787   1.1069 1.217651 1.883071 
1 1 1    6   26   15 o   86.628   0.7920  7285.69  133.137  7382.36  191.185  7194.67  185.512   87.186   1.1296   86.071   1.1103 1.114540 1.583961 
1 1 1    6   26   16 o   75.676   0.7211  5561.17  105.895  5585.98  151.896  5537.71  147.710   75.839   1.0318   75.512   1.0077 0.3272400 1.442220 
1 1 1    6   26   17 o   34.177   0.8140  1134.43   53.966  1078.46   75.711  1192.24   76.943   33.319   1.1706   35.034   1.1314 -1.714542 1.627962 
1 1 1    6   26   18 o   17.828   1.4377  305.709   49.412  341.317   75.515  279.048   65.342   18.724   2.0776   16.932   1.9880 1.791752 2.875494 
1 1 1    6   26   19 o  103.168   0.9287 10342.34  185.798 10404.85  269.248 10285.52  256.716  103.463   1.3406  102.874   1.2855 0.5889511 1.857376 
1 1 1    6   26   20 o   21.778   1.4463  477.349   59.044  353.106   86.541  585.552   80.761   19.026   2.3432   24.530   1.6961 -5.503950 2.892660 
1 1 1    6   26   21 o   44.603   0.8259  1933.41   71.372  1941.02  104.267  1926.70   97.904   44.683   1.2021   44.522   1.1328 0.1610680 1.651746 
1 1 1    6   26   22 o   46.789   0.8159  2125.73   74.036  2189.48  107.510  2068.23  102.104   47.454   1.1671   46.123   1.1404 1.330925 1.631759 
1 1 1    6   26   23 o   52.183   0.8010  2646.53   80.955  2682.05  118.935  2615.87  110.505   52.505   1.1669   51.860   1.0977 0.6447678 1.602079 
1 1 1    6   26   24 o   27.949   1.1616  759.363   62.863  814.094   93.024  713.363   85.282   28.869   1.6599   27.028   1.6255 1.841492 2.323271 
1 1 1    6   26   25 o   32.473   1.0475  1024.62   65.783  1096.33   98.332  966.527   88.505   33.491   1.5125   31.455   1.4495 2.036104 2.094934 
1 1 1    6   26   26 o   21.499   1.5356  466.028   62.794  380.930   92.004  540.239   85.917   19.577   2.4211   23.421   1.8898 -3.844793 3.071276 
1 1 1    6   26   27 o   25.711   1.3306  668.323   64.826  572.848   98.348  741.675   86.204   23.986   2.1122   27.436   1.6186 -3.449736 2.661111 
1 1 1    6   26   28 o   16.408   2.1475  280.144   65.613  436.174   98.673  156.471   87.848   20.778   2.4464   12.037   3.5302 8.740667 4.295037 
1 1 1    6   26   29 o   36.665   1.0191  1337.30   71.696  1261.24  108.096  1397.04   95.800   35.671   1.5611   37.658   1.3105 -1.987167 2.038244 
1 1 1    6   26   30 o   13.746   3.0986  221.458   91.383  263.823  147.091  194.827  116.620   14.612   4.6262   12.880   4.1237 1.731688 6.197274 
1 1 1    6   27    0 o   48.741   0.7927  2296.67   74.811  2179.17  101.457  2436.67  110.750   47.381   1.1031   50.102   1.1387 -2.721127 1.585424 
1 1 1    6   27    1 o  112.912   1.0250 12321.46  212.594 12207.96  260.761 12546.45  367.132  112.144   1.1979  113.681   1.6637 -1.536987 2.050044 
1 1 1    6   27    2 f  205.485   1.3718 41109.70  527.519 41428.01  664.456 40567.05  867.583  206.573   1.6570  204.396   2.1866 2.177094 2.743541 
1 1 1    6   27    3 o  240.488   1.4681 55982.55  659.234 55524.90  824.488 56793.68  1097.67  239.144   1.7761  241.833   2.3382 -2.689377 2.936295 
1 1 1    6   27    4 o  177.800   1.2976 30652.03  429.635 30543.84  536.104 30846.26  718.303  177.372   1.5570  178.228   2.0762 -0.8566284 2.595173 
1 1 1    6   27    5 o  152.067   1.2053 22366.81  340.021 22164.27  421.713 22743.11  574.817  151.095   1.4378  153.039   1.9349 -1.943680 2.410642 
1 1 1    6   27    6 o  120.721   1.0861 14151.73  243.653 14156.82  303.538 14142.52  408.560  120.758   1.2949  120.685   1.7440 0.7241821E-01 2.172129 
1 1 1    6   27    7 o  132.959   1.1434 17309.22  280.934 17648.20  349.415 16689.44  472.467  134.825   1.3351  131.094   1.8566 3.731201 2.286811 
1 1 1    6   27    8 o  124.262   1.1155 15030.36  256.934 15115.87  319.511 14873.88  432.234  124.773   1.3192  123.752   1.7993 1.021797 2.231071 
1 1 1    6   27    9 o  104.932   0.8292 10690.31  168.903 10646.13  238.694 10734.62  239.036  104.715   1.1743  105.149   1.1711 -0.4343719 1.658428 
1 1 1    6   27   10 o  157.451   1.0602 24068.05  323.987 23629.93  453.979 24522.81  462.516  155.991   1.4992  158.911   1.4994 -2.919830 2.120338 
1 1 1    6   27   11 o  115.851   1.0680 13098.27  232.757 13298.66  295.986 12773.54  376.783  117.027   1.3029  114.675   1.6926 2.352028 2.136015 
1 1 1    6   27   12 o   43.584   0.6653  1844.00   56.162  1848.25   82.257  1840.28   76.866   43.630   0.9712   43.537   0.9095 0.9323883E-01 1.330599 
1 1 1    6   27   13 o  113.387   0.8818 12487.17  194.023 12471.76  277.711 12501.86  271.184  113.318   1.2625  113.457   1.2313 -0.1385422 1.763524 
1 1 1    6   27   14 f   54.791   0.6379  2912.14   67.688  2954.62   99.451  2875.48   92.389   55.163   0.9288   54.420   0.8746 0.7426109 1.275720 
1 1 1    6   27   15 o   98.490   0.8406  9421.04  160.665  9452.29  230.098  9391.31  224.437   98.649   1.2016   98.331   1.1758 0.3171921 1.681175 
1 1 1    6   27   16 o   53.358   0.6781  2764.16   70.227  2692.58   98.525  2838.08  100.127   52.656   0.9639   54.060   0.9541 -1.404289 1.356285 
1 1 1    6   27   17 o   18.744   1.7133  337.254   57.046  354.795  105.666  330.039   67.771   19.069   2.8546   18.419   1.8955 0.6500397 3.426636 
1 1 1    6   27   18 o   21.150   1.3035  435.267   53.282  434.939   79.099  435.539   72.091   21.140   1.9275   21.159   1.7552 -0.1950455E-01 2.606902 
1 1 1    6   27   19 o   48.276   0.7430  2266.42   69.409  2235.27  101.877  2293.41   94.821   47.964   1.0942   48.588   1.0053 -0.6238136 1.485923 
1 1 1    6   27   20 o   59.419   0.7671  3422.35   88.242  3538.92  130.490  3324.12  119.784   60.347   1.1139   58.490   1.0550 1.856472 1.534222 
1 1 1    6   27   21 o   34.232   0.9962  1140.13   65.688  1137.90   99.170  1141.88   87.682   34.197   1.4939   34.266   1.3182 -0.6928253E-01 1.992330 
1 1 1    6   27   22 o   18.239   1.7989  328.007   60.985  421.434   90.189  249.301   82.779   20.767   2.2372   15.711   2.8178 5.056080 3.597895 
1 1 1    6   27   23 o   44.564   0.8337  1932.21   71.920  1939.65  105.816  1925.82   98.048   44.639   1.2212   44.489   1.1353 0.1506424 1.667394 
1 1 1    6   27   24 o   21.702   1.4479  458.162   60.591  493.587   92.295  431.332   80.323   22.425   2.1202   20.979   1.9724 1.446136 2.895788 
1 1 1    6   27   25 o   42.756   0.8673  1782.78   71.715  1785.99  106.116  1780.07   97.297   42.783   1.2777   42.730   1.1730 0.5319595E-01 1.734522 
1 1 1    6   27   26 o   31.460   1.1048  983.979   66.561  836.700   96.863  1115.75   91.620   29.166   1.7109   33.754   1.3983 -4.588398 2.209585 
1 1 1    6   27   27 o   44.329   0.8709  1941.78   74.113  1789.33  110.682  2065.70   99.787   42.702   1.3352   45.956   1.1186 -3.253979 1.741854 
1 1 1    6   27   28 o   14.341   2.3989  225.582   65.589  207.088   98.445  240.345   87.954   13.709   3.6387   14.973   3.1270 -1.263737 4.797753 
1 1 1    6   27   29 o   17.995   1.8986  323.482   65.181  409.375  103.987  267.892   83.655   19.892   2.6930   16.097   2.6771 3.794607 3.797268 
1 1 1    6   27   30 o   12.317   3.0281  179.659   90.590  128.049  145.162  212.580  115.937   11.290   4.4671   13.343   4.0893 -2.052421 6.056185 
1 1 1    6   28    0 o  236.072   1.4402 53960.66  636.091 53548.05  797.800 54680.66  1053.87  234.850   1.7500  237.295   2.2879 -2.445740 2.880434 
1 1 1    6   28    1 o  166.670   1.2696 27098.97  393.656 27427.75  492.542 26517.57  654.982  168.084   1.5096  165.256   2.0418 2.828247 2.539211 
1 1 1    6   28    2 o  162.725   1.2474 25619.53  377.447 25399.24  469.513 26021.99  634.631  161.748   1.4954  163.703   1.9971 -1.954971 2.494892 
1 1 1    6   28    3 o  122.110   1.0602 14445.54  239.526 14374.97  296.455 14578.24  406.512  121.687   1.2550  122.534   1.7090 -0.8472061 2.120345 
1 1 1    6   28    4 o  113.523   1.0457 12480.63  218.606 12413.49  269.113 12610.88  374.832  113.080   1.2260  113.965   1.6943 -0.8852844 2.091357 
1 1 1    6   28    5 o  211.683   1.4110 43665.74  558.260 44078.41  702.263 42957.21  920.186  213.063   1.6980  210.303   2.2541 2.759598 2.822024 
1 1 1    6   28    6 o   65.040   0.7758  4101.15   92.283  4090.31  112.872  4123.00  160.269   64.913   0.8958   65.168   1.2669 -0.2546310 1.551606 
1 1 1    6   28    7 o  193.960   1.3712 36537.52  496.892 36527.61  623.159 36554.82  823.372  193.944   1.6552  193.977   2.1867 -0.3323364E-01 2.742490 
1 1 1    6   28    8 f   58.277   0.7330  3317.89   79.034  3367.21   98.308  3227.77  132.894   58.895   0.8599   57.658   1.1873 1.236824 1.466017 
1 1 1    6   28    9 o   54.793   0.8595  2915.43   91.365  2789.46  128.731  3043.29  129.692   53.600   1.2372   55.986   1.1933 -2.386368 1.718970 
1 1 1    6   28   10 o  158.024   1.0775 24251.34  330.519 24198.89  467.412 24303.79  467.436  157.853   1.5254  158.195   1.5222 -0.3419342 2.154954 
1 1 1    6   28   11 o  131.593   0.9630 16817.47  245.993 16942.81  348.136 16692.49  347.637  132.083   1.3578  131.103   1.3660 0.9798126 1.926022 
1 1 1    6   28   12 o   88.911   0.7681  7675.86  132.561  7625.06  186.524  7727.71  188.429   88.614   1.0843   89.208   1.0881 -0.5943069 1.536172 
1 1 1    6   28   13 o   52.902   0.6482  2718.99   66.521  2642.03   94.805  2793.63   93.362   52.164   0.9363   53.640   0.8966 -1.476513 1.296355 
1 1 1    6   28   14 o   80.232   0.7550  6251.13  117.576  6178.07  165.720  6325.19  166.842   79.760   1.0703   80.705   1.0650 -0.9442749 1.509907 
1 1 1    6   28   15 o   49.766   0.8392  2393.42   75.461  2439.33  134.583  2372.36   91.135   50.105   1.3837   49.427   0.9499 0.6781273 1.678363 
1 1 1    6   28   16 o   80.252   0.7386  6255.17  115.057  6184.73  162.390  6326.18  163.042   79.798   1.0483   80.706   1.0407 -0.9077988 1.477185 
1 1 1    6   28   17 o   97.675   0.8756  9272.44  165.968  9073.37  235.808  9467.85  233.636   96.635   1.2571   98.716   1.2192 -2.081474 1.751218 
1 1 1    6   28   18 o   67.020   0.7354  4362.82   95.646  4378.33  137.142  4348.13  133.461   67.135   1.0523   66.905   1.0276 0.2305984 1.470855 
1 1 1    6   28   19 o   14.754   2.0010  218.977   55.018  230.293   82.161  209.777   74.079   15.094   2.9097   14.415   2.7477 0.6787205 4.001972 
1 1 1    6   28   20 o   81.794   0.8297  6503.30  131.649  6503.39  189.531  6503.22  183.000   81.792   1.1937   81.795   1.1525 -0.3295898E-02 1.659323 
1 1 1    6   28   21 o   71.967   0.7963  5036.35  111.069  4999.42  161.315  5069.64  153.152   71.713   1.1588   72.221   1.0924 -0.5082703 1.592567 
1 1 1    6   28   22 o   64.217   0.7813  4012.24   97.264  3957.53  140.646  4062.39  134.654   63.794   1.1358   64.640   1.0731 -0.8462601 1.562548 
1 1 1    6   28   23 o   9.6183   2.2032   37.987   57.499  183.100   89.957 -62.2495   74.765   13.323   3.4508   5.9138   2.7401 7.409034 4.406371 
1 1 1    6   28   24 o   63.730   0.7840  3961.34   96.703  3868.21  141.303  4043.38  132.626   63.015   1.1552   64.445   1.0602 -1.429440 1.567912 
1 1 1    6   28   25 o   35.006   1.0011  1200.52   67.758  1161.10   99.365  1234.78   92.638   34.456   1.4856   35.557   1.3421 -1.101173 2.002113 
1 1 1    6   28   26 o   23.923   1.3734  570.867   62.742  535.032   96.021  597.568   82.884   23.217   2.1305   24.629   1.7336 -1.411568 2.746743 
1 1 1    6   28   27 o   33.473   1.0382  1112.86   66.279  1037.74  101.738  1168.24   87.360   32.436   1.6158   34.511   1.3040 -2.075466 2.076398 
1 1 1    6   28   28 o   39.886   0.9543  1562.46   73.569  1603.10  109.841  1529.40   99.074   40.333   1.4029   39.439   1.2941 0.8936615 1.908641 
1 1 1    6   28   29 o   27.227   1.3251  759.294   68.160  655.507  104.482  836.188   89.933   25.452   2.1147   29.002   1.5975 -3.549797 2.650279 
1 1 1    6   28   30 o   14.185   3.0655  238.833   92.194  317.909  144.028  183.940  120.001   15.941   4.4725   12.429   4.1935 3.512064 6.130924 
1 1 1    6   29    0 o  165.719   1.2400 26561.25  382.150 26307.07  475.345 27025.74  642.584  164.611   1.4876  166.827   1.9843 -2.215759 2.479961 
1 1 1    6   29    1 o   77.510   0.8120  5849.26  115.745  5886.12  142.693  5778.35  197.908   77.870   0.9440   77.150   1.3215 0.7202988 1.624013 
1 1 1    6   29    2 o  243.950   1.4914 57491.59  678.912 56713.97  847.332 58885.95  1134.64  241.677   1.8061  246.223   2.3739 -4.546173 2.982892 
1 1 1    6   29    3 o  151.204   1.2157 22091.00  340.646 21841.13  421.757 22559.87  577.743  149.989   1.4486  152.419   1.9527 -2.430344 2.431314 
1 1 1    6   29    4 o   55.740   0.7466  2987.30   75.067  2939.58   90.371  3093.49  134.819   55.030   0.8460   56.449   1.2303 -1.418987 1.493129 
1 1 1    6   29    5 o  177.165   1.3106 30289.76  431.241 29834.28  534.851 31136.01  729.027  175.288   1.5719  179.043   2.0976 -3.754852 2.621195 
1 1 1    6   29    6 o   56.631   0.7643  3057.17   78.361  2962.47   94.311  3268.31  140.822   55.243   0.8795   58.020   1.2503 -2.777073 1.528660 
1 1 1    6   29    7 o  127.609   1.1464 15883.22  271.045 16048.06  337.319 15582.87  455.333  128.559   1.3517  126.659   1.8519 1.900269 2.292760 
1 1 1    6   29    8 o   92.179   0.9454  8153.00  159.495  7965.35  194.291  8540.79  279.298   90.578   1.1050   93.780   1.5342 -3.202019 1.890752 
1 1 1    6   29    9 o  159.674   1.2565 24610.83  372.654 24244.29  462.276 25291.11  629.763  158.004   1.5072  161.345   2.0107 -3.340759 2.512906 
1 1 1    6   29   10 o   40.906   0.8089  1628.49   61.615  1638.18   77.057  1611.32  102.601   41.077   0.9664   40.735   1.2975 0.3425598 1.617860 
1 1 1    6   29   11 o   95.703   0.9987  8953.57  176.963  9091.27  220.347  8703.40  297.001   96.757   1.1732   94.649   1.6165 2.108299 1.997349 
1 1 1    6   29   12 o   65.160   0.6607  4121.50   83.528  4155.25  120.173  4089.96  116.182   65.418   0.9463   64.903   0.9222 0.5153503 1.321341 
1 1 1    6   29   13 o   80.596   0.7285  6305.63  113.946  6405.66  163.299  6210.72  159.072   81.218   1.0358   79.973   1.0247 1.244911 1.456972 
1 1 1    6   29   14 f  131.392   1.0046 16768.23  256.017 16889.62  370.403 16657.18  354.261  131.845   1.4473  130.940   1.3938 0.9053650 2.009258 
1 1 1    6   29   15 o   44.249   0.6814  1901.51   58.527  1898.33   83.234  1904.61   82.313   44.212   0.9698   44.286   0.9575 -0.7345963E-01 1.362856 
1 1 1    6   29   16 o   93.141   0.8083  8427.76  146.115  8385.49  208.211  8468.78  205.101   92.910   1.1545   93.371   1.1316 -0.4618378 1.616555 
1 1 1    6   29   17 o   97.344   0.8746  9208.67  165.242  9067.88  234.484  9347.56  232.898   96.603   1.2504   98.084   1.2232 -1.480843 1.749229 
1 1 1    6   29   18 o  137.161   1.2120 18304.15  322.703 18328.39  457.847 18280.22  454.910  137.250   1.7185  137.072   1.7097 0.1787720 2.424070 
1 1 1    6   29   19 o   28.890   1.0360  810.575   58.055  841.744   84.049  782.136   80.283   29.420   1.4717   28.359   1.4584 1.060282 2.071906 
1 1 1    6   29   20 o   49.985   0.7775  2421.81   75.180  2503.93  111.760  2353.94  101.605   50.755   1.1343   49.216   1.0635 1.539307 1.554928 
1 1 1    6   29   21 o   34.836   0.9797  1189.11   64.917  1136.39  101.340  1225.81   84.540   34.167   1.5279   35.504   1.2266 -1.337364 1.959399 
1 1 1    6   29   22 o   16.612   1.7999  267.947   57.308  287.855   89.606  254.167   74.548   17.117   2.6967   16.106   2.3845 1.011627 3.599709 
1 1 1    6   29   23 o   32.368   1.0048  1033.16   62.309  930.012   93.007  1117.15   83.927   30.872   1.5520   33.865   1.2767 -2.993082 2.009646 
1 1 1    6   29   24 o   37.913   0.9328  1402.09   68.294  1404.56  101.913  1400.07   92.008   37.933   1.3840   37.892   1.2509 0.4099274E-01 1.865522 
1 1 1    6   29   25 o   40.741   0.9046  1616.16   71.411  1699.66  104.981  1544.25   97.422   41.714   1.2965   39.768   1.2620 1.946198 1.809275 
1 1 1    6   29   26 o   40.711   0.9409  1630.59   73.821  1562.66  109.894  1686.46   99.653   39.909   1.4185   41.514   1.2366 -1.604118 1.881853 
1 1 1    6   29   27 o   44.192   0.8792  1923.80   74.024  1862.02  115.350  1967.05   96.520   43.542   1.3647   44.843   1.1088 -1.300755 1.758385 
1 1 1    6   29   28 o   13.118   2.4451  191.734   63.754  158.907   93.558  220.194   87.112   12.019   3.6718   14.217   3.2299 -2.198204 4.890205 
1 1 1    6   29   29 o   15.462   2.2670  259.004   65.046  290.565  101.724  237.173   84.603   16.187   3.3478   14.736   3.0578 1.450884 4.534084 
1 1 1    6   30    0 o  130.458   1.1969 16554.09  301.339 16808.43  406.604 16244.18  448.835  131.574   1.5920  129.342   1.7877 2.233032 2.393759 
1 1 1    6   30    1 o  128.457   1.1200 16012.55  266.505 15991.64  330.585 16051.38  450.407  128.344   1.3269  128.570   1.8047 -0.2263031 2.239985 
1 1 1    6   30    2 o   43.646   0.7775  1854.28   61.403  1863.14   74.497  1835.50  108.435   43.811   0.8760   43.482   1.2847 0.3289719 1.554912 
1 1 1    6   30    3 o  213.933   1.4345 44328.50  571.731 44022.54  713.199 44878.70  956.388  212.922   1.7255  214.944   2.2922 -2.022690 2.869050 
1 1 1    6   30    4 o  168.803   1.2753 27683.05  399.470 27710.09  496.832 27633.60  671.849  168.933   1.5151  168.672   2.0519 0.2612915 2.550654 
1 1 1    6   30    5 o   91.481   0.9401  8177.65  158.780  8297.59  197.018  7955.39  268.193   92.450   1.0978   90.513   1.5264 1.936691 1.880204 
1 1 1    6   30    6 o  163.680   1.2801 26074.30  389.922 26205.07  487.182 25841.24  650.396  164.270   1.5278  163.090   2.0544 1.179626 2.560219 
1 1 1    6   30    7 o  123.301   1.1017 14760.15  250.812 14750.36  310.007 14778.72  426.740  123.253   1.2957  123.349   1.7822 -0.9628296E-01 2.203457 
1 1 1    6   30    8 o   49.273   0.8783  2355.62   83.972  2453.78  120.402  2262.66  117.172   50.272   1.2338   48.274   1.2504 1.997776 1.756631 
1 1 1    6   30    9 o  104.609   1.0157 10642.62  195.161 10675.04  240.098 10579.49  335.048  104.854   1.1796  104.365   1.6538 0.4894104 2.031405 
1 1 1    6   30   10 o  141.540   1.1983 19460.23  315.234 19451.91  392.694 19475.30  528.633  141.518   1.4295  141.562   1.9237 -0.4463196E-01 2.396687 
1 1 1    6   30   11 o   33.958   0.9203  1124.12   57.217  1132.47   70.233  1107.65   98.661   34.150   1.0595   33.766   1.5052 0.3842316 1.840684 
1 1 1    6   30   12 o   64.346   0.8039  3996.97   94.807  3949.28  115.948  4093.17  164.682   63.776   0.9366   64.915   1.3069 -1.139423 1.607823 
1 1 1    6   30   13 o  210.128   1.6071 42881.68  653.450 41984.19  885.594 43954.32  968.151  207.736   2.1961  212.519   2.3468 -4.782593 3.214118 
1 1 1    6   30   14 o   71.067   0.7024  4902.22   96.859  4987.32  139.442  4822.88  134.642   71.662   1.0024   70.472   0.9842 1.190544 1.404817 
1 1 1    6   30   15 o   34.539   0.7664  1162.84   51.181  1098.27   74.455  1220.68   70.472   33.625   1.1407   35.452   1.0240 -1.827095 1.532895 
1 1 1    6   30   16 o   99.205   0.8721  9560.00  167.932  9681.84  239.781  9442.71  235.267   99.825   1.2374   98.585   1.2294 1.239822 1.744289 
1 1 1    6   30   17 o   65.119   0.7252  4118.99   91.656  4199.07  129.987  4039.82  129.259   65.749   1.0185   64.489   1.0325 1.259521 1.450313 
1 1 1    6   30   18 o   67.140   0.7405  4376.23   96.404  4447.71  140.183  4312.09  132.788   67.659   1.0673   66.622   1.0268 1.036873 1.481050 
1 1 1    6   30   19 o   29.144   1.0310  827.421   58.225  797.743   83.883  855.014   80.884   28.636   1.5090   29.651   1.4053 -1.014597 2.062005 
1 1 1    6   30   20 o   15.368   2.0234  237.729   58.005  251.443   85.705  226.138   78.793   15.778   2.9054   14.958   2.8169 0.8193750 4.046761 
1 1 1    6   30   21 o  126.929   1.1464 15693.34  282.453 15585.95  400.735 15799.37  398.174  126.494   1.6320  127.363   1.6105 -0.8690567 2.292856 
1 1 1    6   30   22 o   27.449   1.1873  741.668   62.103  698.612   95.964  772.695   81.462   26.742   1.8486   28.156   1.4905 -1.413988 2.374630 
1 1 1    6   30   23 o   55.912   0.7758  3037.18   84.078  3147.00  123.056  2941.02  115.146   56.856   1.1150   54.969   1.0791 1.886864 1.551659 
1 1 1    6   30   24 o   35.396   0.9824  1227.29   67.118  1182.62   99.284  1264.88   91.083   34.788   1.4702   36.003   1.3033 -1.215752 1.964713 
1 1 1    6   30   25 o   26.824   1.2329  712.131   63.692  659.168   93.882  757.294   86.694   25.868   1.8696   27.780   1.6077 -1.911932 2.465792 
1 1 1    6   30   26 o   36.323   0.9851  1292.55   68.971  1316.92  104.304  1273.61   91.940   36.604   1.4679   36.042   1.3141 0.5621185 1.970225 
1 1 1    6   30   27 o   37.402   0.9806  1369.99   70.551  1416.96  108.000  1335.02   93.180   37.930   1.4668   36.874   1.3018 1.056068 1.961177 
1 1 1    6   30   28 o   20.112   1.7385  418.781   66.767  366.610   99.248  461.910   90.238   18.842   2.7134   21.381   2.1742 -2.538773 3.477026 
1 1 1    6   30   29 f   24.186   1.6067  606.085   74.375  665.888  100.945  535.071  110.001   25.635   2.0285   22.737   2.4923 2.898314 3.213475 
1 1 1    6   31    0 o  106.602   0.9925 11023.51  194.745 11002.86  239.827 11063.47  333.682  106.461   1.1605  106.743   1.6104 -0.2824936 1.984956 
1 1 1    6   31    1 o   72.226   0.8118  5028.96  106.421  4966.07  128.920  5163.48  188.546   71.525   0.9285   72.928   1.3319 -1.402405 1.623585 
1 1 1    6   31    2 o   64.671   0.7856  4007.65   91.546  3922.08  109.971  4200.77  165.214   63.564   0.8913   65.779   1.2939 -2.214565 1.571146 
1 1 1    6   31    3 o  132.328   1.1343 17041.54  279.631 17138.82  349.918 16869.65  465.156  132.861   1.3568  131.795   1.8182 1.065750 2.268598 
1 1 1    6   31    4 o   82.444   0.8744  6655.24  132.713  6780.52  164.346  6420.41  225.000   83.573   1.0130   81.315   1.4254 2.258301 1.748749 
1 1 1    6   31    5 o   6.8977   2.0641  -7.9266   45.680 -27.9553   55.789   32.818   79.571   5.5316   2.4865   8.2639   3.2954 -2.732301 4.128239 
1 1 1    6   31    6 o  133.255   1.1471 17166.21  281.624 16996.75  346.494 17496.07  483.416  132.303   1.3491  134.206   1.8556 -1.903198 2.294216 
1 1 1    6   31    7 o  139.173   1.1783 18898.61  304.568 19115.66  380.226 18509.99  508.766  140.306   1.3960  138.039   1.8987 2.267639 2.356677 
1 1 1    6   31    8 o   70.567   0.8037  4807.69  104.567  4749.24  128.677  4921.32  179.427   69.943   0.9477   71.191   1.2984 -1.248405 1.607472 
1 1 1    6   31    9 o   22.019   1.1905  480.297   49.745  529.009   66.025  416.337   75.655   23.338   1.4574   20.699   1.8829 2.638765 2.380994 
1 1 1    6   31   10 o  110.961   1.0530 11918.46  215.121 11828.71  264.621 12093.36  369.403  110.362   1.2352  111.559   1.7058 -1.197243 2.106062 
1 1 1    6   31   11 o   34.259   0.8599  1124.69   56.666  1034.09   74.281  1250.82   87.641   32.631   1.1727   35.887   1.2581 -3.255363 1.719877 
1 1 1    6   31   12 o   78.404   0.9004  5990.70  128.894  6029.35  157.758  5913.10  223.546   78.796   1.0314   78.012   1.4762 0.7843475 1.800795 
1 1 1    6   31   13 o   55.113   0.8208  2935.84   82.975  2906.95  101.614  2993.66  143.743   54.714   0.9567   55.512   1.3339 -0.7978859 1.641558 
1 1 1    6   31   14 o  103.192   1.0060 10312.02  193.669 10219.13  241.902 10477.87  323.217  102.564   1.2150  103.820   1.6038 -1.255829 2.012065 
1 1 1    6   31   15 o  105.214   1.0284 10732.04  203.877 10648.18  258.395 10870.35  331.844  104.688   1.2715  105.741   1.6167 -1.052864 2.056802 
1 1 1    6   31   16 o   29.643   0.8940  858.807   51.125  793.107   74.669  916.789   70.147   28.567   1.3465   30.719   1.1764 -2.151464 1.787977 
1 1 1    6   31   17 o   48.052   0.7011  2240.90   65.302  2277.93   95.220  2208.02   89.728   48.425   1.0130   47.678   0.9695 0.7472458 1.402133 
1 1 1    6   31   18 o   61.129   0.7323  3630.09   86.886  3654.61  123.899  3606.36  121.876   61.332   1.0407   60.926   1.0305 0.4056053 1.464569 
1 1 1    6   31   19 f   44.645   0.7600  1939.40   65.423  1916.35   98.088  1957.87   87.807   44.402   1.1380   44.888   1.0077 -0.4854889 1.520051 
1 1 1    6   31   20 o   60.418   0.7687  3543.04   90.000  3628.79  131.822  3468.18  123.176   61.100   1.1114   59.736   1.0622 1.363674 1.537410 
1 1 1    6   31   21 o   59.155   0.7867  3408.59   90.050  3321.70  131.777  3484.72  123.341   58.442   1.1616   59.869   1.0613 -1.426888 1.573421 
1 1 1    6   31   22 o   34.815   0.9794  1187.37   65.617  1127.97   98.057  1235.53   88.300   34.012   1.4852   35.618   1.2771 -1.605980 1.958751 
1 1 1    6   31   23 o   23.744   1.3669  556.011   62.474  522.098   92.840  584.076   84.457   23.061   2.0739   24.428   1.7811 -1.366882 2.733763 
1 1 1    6   31   24 o   32.090   1.0498  997.435   65.086  1121.39   97.733  898.648   87.248   33.864   1.4867   30.316   1.4826 3.548622 2.099624 
1 1 1    6   31   25 o   55.851   0.8076  3047.96   87.358  3023.81  127.670  3069.23  119.791   55.630   1.1823   56.071   1.1006 -0.4411049 1.615237 
1 1 1    6   31   26 o   48.289   0.8395  2292.07   78.231  2186.23  115.450  2381.93  106.377   47.228   1.2593   49.350   1.1104 -2.122185 1.678965 
1 1 1    6   31   27 o   11.733   2.2425  149.811   62.387   13.944   95.905  249.480   82.142   8.0985   3.4556   15.367   2.8589 -7.268327 4.484934 
1 1 1    6   31   28 o   19.477   1.7841  391.116   66.926  374.260   99.601  404.990   90.366   19.016   2.6982   19.938   2.3349 -0.9216938 3.568202 
1 1 1    6   31   29 o   13.015   2.7963  205.788   87.620   63.000  139.875  298.000  112.406   9.9630   4.2089   16.068   3.6827 -6.104802 5.592605 
1 1 1    6   32    0 o   71.964   0.8042  5006.27  105.667  4965.24  128.850  5090.51  184.652   71.518   0.9281   72.409   1.3137 -0.8905640 1.608483 
1 1 1    6   32    1 o  139.826   1.1716 18854.35  302.701 18562.85  373.139 19415.43  517.676  138.268   1.3902  141.384   1.8862 -3.116638 2.343190 
1 1 1    6   32    2 f  105.788   1.0197 10897.40  197.647 10960.02  242.693 10774.06  340.583  106.249   1.1767  105.328   1.6658 0.9208527 2.039468 
1 1 1    6   32    3 o   94.353   0.9363  8587.23  162.219  8471.55  198.697  8818.43  280.914   93.412   1.0958   95.294   1.5186 -1.881248 1.872666 
1 1 1    6   32    4 o  135.443   1.1841 17842.30  295.963 17898.56  365.953 17735.92  503.203  135.766   1.3886  135.120   1.9185 0.6463470 2.368272 
1 1 1    6   32    5 o   38.453   0.8098  1453.89   56.912  1491.92   70.088  1380.28   97.511   39.202   0.9210   37.703   1.3323 1.499439 1.619689 
1 1 1    6   32    6 o  120.020   1.1052 13991.06  245.583 13995.21  304.582 13983.34  415.178  120.056   1.3069  119.984   1.7826 0.7176208E-01 2.210340 
1 1 1    6   32    7 o  131.163   1.1382 16758.56  276.443 16875.96  343.499 16542.74  465.733  131.830   1.3423  130.495   1.8386 1.334946 2.276409 
1 1 1    6   32    8 o   64.048   0.7901  3996.26   94.137  4029.93  117.659  3936.39  156.922   64.427   0.9408   63.668   1.2697 0.7594185 1.580249 
1 1 1    6   32    9 o   15.314   1.9072  255.848   49.767  295.360   60.876  176.228   86.415   17.434   1.7988   13.195   3.3637 4.238806 3.814479 
1 1 1    6   32   10 o  143.921   1.2317 20093.74  328.240 20009.71  406.707 20250.73  555.905  143.518   1.4599  144.324   1.9842 -0.8064880 2.463415 
1 1 1    6   32   11 o  135.399   1.1916 17692.49  297.684 17422.88  366.397 18216.05  510.595  133.919   1.4094  136.880   1.9216 -2.960403 2.383108 
1 1 1    6   32   12 o   45.152   0.8021  1949.34   67.059  1881.82   82.513  2080.70  115.090   44.022   0.9656   46.282   1.2810 -2.259789 1.604168 
1 1 1    6   32   13 o  118.681   1.1829 13763.14  257.009 13906.75  315.730 13481.10  442.475  119.636   1.3595  117.726   1.9362 1.910164 2.365847 
1 1 1    6   32   14 o   64.552   0.8368  4090.88   99.915  4195.25  124.620  3903.07  167.179   65.725   0.9768   63.378   1.3589 2.347500 1.673501 
1 1 1    6   32   15 o  193.107   1.3805 36270.83  509.066 36201.68  662.567 36370.47  795.339  192.927   1.7692  193.288   2.1197 -0.3612823 2.761030 
1 1 1    6   32   16 o   47.219   0.8337  2165.72   72.776  2164.44   90.088  2168.11  123.470   47.206   0.9831   47.231   1.3467 -0.2513885E-01 1.667360 
1 1 1    6   32   17 o   32.903   1.0168  1052.95   62.749  1053.67   79.149  1051.74  102.954   32.926   1.2384   32.880   1.6130 0.4575729E-01 2.033576 
1 1 1    6   32   18 o  110.416   1.1914 11895.68  245.409 11976.92  307.751 11753.80  406.702  110.977   1.4286  109.856   1.9072 1.121704 2.382871 
1 1 1    6   32   19 o   54.329   0.8858  2838.52   89.860  2759.17  111.888  2982.70  150.821   53.283   1.0818   55.375   1.4031 -2.091686 1.771681 
1 1 1    6   32   20 o   51.827   0.9149  2598.03   89.020  2556.22  111.996  2669.76  146.704   51.278   1.1251   52.377   1.4429 -1.099072 1.829731 
1 1 1    6   32   21 o   51.540   0.7865  2591.59   78.372  2477.67  114.555  2691.82  107.455   50.466   1.1694   52.613   1.0521 -2.147400 1.573010 
1 1 1    6   32   22 o   14.910   2.0940  238.766   57.909  155.991   88.972  299.603   76.276   12.350   3.5329   17.471   2.2491 -5.120522 4.188065 
1 1 1    6   32   23 o   41.127   0.8709  1644.37   69.168  1692.57  103.854  1605.94   92.726   41.659   1.2843   40.594   1.1767 1.064434 1.741835 
1 1 1    6   32   24 o   18.042   1.8750  350.563   59.472  224.752   89.252  451.034   79.759   14.672   3.2219   21.412   1.9189 -6.739498 3.750045 
1 1 1    6   32   25 o   46.674   0.8534  2154.94   76.279  1943.10  114.102  2326.12  102.566   44.542   1.3197   48.806   1.0826 -4.264412 1.706886 
1 1 1    6   32   26 o   9.5668   2.0670   83.054   54.570 -70.2063   90.762  169.821   68.292   6.4529   2.9999   12.681   2.8444 -6.227813 4.134023 
1 1 1    6   32   27 o   18.445   1.9253  378.644   61.894  239.613   93.603  486.664   82.506   14.820   3.3343   22.070   1.9259 -7.249487 3.850538 
1 1 1    6   32   28 o   32.668   1.3836  1081.39   85.425  1109.77  109.994  1038.25  135.604   33.355   1.6988   31.981   2.1843 1.373632 2.767177 
1 1 1    6   32   29 o   12.855   2.7964  199.855   88.513   50.676  139.605  300.134  114.460   9.6873   4.1523   16.024   3.7468 -6.336191 5.592877 
1 1 1    6   33    0 o  346.466   1.6978 116781.20  1106.39 117146.50  1402.24 116178.60  1800.87  347.241   2.0803  345.690   2.6837 1.551514 3.395552 
1 1 1    6   33    1 o  194.121   1.3883 36575.47  501.335 36495.90  624.942 36719.13  839.697  193.850   1.6608  194.392   2.2253 -0.5422058 2.776674 
1 1 1    6   33    2 o  131.317   1.1465 16653.48  277.578 16451.61  341.584 17045.95  476.287  130.164   1.3519  132.469   1.8522 -2.305069 2.293085 
1 1 1    6   33    3 o   96.660   0.9785  8990.60  172.853  8834.20  210.522  9314.18  302.811   95.389   1.1369   97.932   1.5929 -2.542473 1.957010 
1 1 1    6   33    4 o  126.576   1.1388 15502.19  263.865 15388.12  322.670 15732.46  458.446  125.888   1.3204  127.264   1.8557 -1.375137 2.277559 
1 1 1    6   33    5 o   96.457   0.9585  9050.20  170.283  9085.10  210.149  8983.47  290.573   96.735   1.1191   96.179   1.5564 0.5560837 1.916959 
1 1 1    6   33    6 o   82.151   1.0049  6551.44  160.076  6504.40  220.842  6603.51  232.361   81.842   1.3901   82.461   1.4516 -0.6192169 2.009852 
1 1 1    6   33    7 o  124.146   1.1298 14934.43  259.603 14850.64  321.393 15091.71  440.351  123.661   1.3389  124.631   1.8202 -0.9699249 2.259542 
1 1 1    6   33    8 o   74.913   0.8353  5472.51  115.127  5522.06  142.109  5377.87  196.380   75.415   0.9707   74.411   1.3596 1.003746 1.670541 
1 1 1    6   33    9 o   93.461   0.9673  8548.30  166.824  8694.65  207.033  8277.36  281.702   94.622   1.1271   92.300   1.5722 2.321838 1.934535 
1 1 1    6   33   10 o   90.522   0.9374  7960.07  156.885  7961.33  194.249  7957.71  266.056   90.543   1.1052   90.501   1.5144 0.4222870E-01 1.874834 
1 1 1    6   33   11 o   25.805   1.1677  655.428   55.056  672.519   67.787  622.302   94.373   26.312   1.3272   25.298   1.9217 1.013390 2.335483 
1 1 1    6   33   12 o  112.360   1.0850 12300.79  224.979 12372.72  278.387 12165.38  381.982  112.857   1.2707  111.863   1.7591 0.9936905 2.170073 
1 1 1    6   33   13 o   59.938   0.7990  3479.94   88.979  3456.36  110.631  3523.13  149.737   59.658   0.9553   60.218   1.2810 -0.5601349 1.597954 
1 1 1    6   33   14 o  132.016   1.2653 16960.74  315.801 16996.28  403.458 16904.52  507.431  132.226   1.5719  131.806   1.9832 0.4191132 2.530618 
1 1 1    6   33   15 o   75.591   0.8893  5577.94  125.625  5649.49  158.140  5455.57  206.824   76.263   1.0682   74.919   1.4221 1.343658 1.778651 
1 1 1    6   33   16 o   54.329   0.8194  2821.45   83.496  2696.75  104.273  3044.28  139.389   52.689   1.0195   55.968   1.2830 -3.278660 1.638721 
1 1 1    6   33   17 o   51.150   0.8678  2545.77   81.733  2551.80  100.806  2534.21  139.635   51.250   1.0133   51.051   1.4091 0.1998024 1.735557 
1 1 1    6   33   18 o   24.256   1.4356  585.690   64.804  620.951   82.278  528.076  105.173   25.255   1.6783   23.256   2.3297 1.998266 2.871282 
1 1 1    6   33   19 o   28.103   1.3157  770.346   68.982  772.326   86.431  766.872  114.494   28.168   1.5807   28.037   2.1037 0.1308022 2.631382 
1 1 1    6   33   20 o   22.400   1.5329  485.888   66.253  418.205   89.514  567.881   98.524   20.686   2.2292   24.114   2.1047 -3.428215 3.065818 
1 1 1    6   33   21 o   13.685   2.5274  194.005   67.308  201.844   87.619  182.718  105.132   14.002   3.2810   13.368   3.8452 0.6338940 5.054735 
1 1 1    6   33   22 o   63.093   0.9477  3882.24  112.115  3886.86  141.398  3874.41  183.995   63.179   1.1529   63.006   1.5044 0.1731720 1.895366 
1 1 1    6   33   23 o   69.502   0.9615  4726.46  125.477  4758.32  158.792  4673.50  204.742   69.867   1.1708   69.137   1.5256 0.7294159 1.923058 
1 1 1    6   33   24 o   29.121   1.3239  830.599   73.685  809.663   95.618  861.211  115.621   28.706   1.7160   29.537   2.0165 -0.8310776 2.647826 
1 1 1    6   33   25 o   50.360   0.9721  2500.49   93.253  2555.91  121.548  2421.21  145.392   51.097   1.2254   49.623   1.5094 1.474075 1.944188 
1 1 1    6   33   26 o   17.013   2.1781  309.676   68.920  382.921   95.857  231.292   99.163   19.451   2.5387   14.575   3.5400 4.875921 4.356260 
1 1 1    6   33   27 f   37.228   1.1974  1410.28   83.482  1528.95  107.903  1233.34  131.761   39.360   1.4123   35.097   1.9340 4.262611 2.394736 
1 1 1    6   33   28 o   28.145   1.5153  802.641   80.533  794.795  102.571  815.251  130.036   28.112   1.8796   28.178   2.3773 -0.6591797E-01 3.030618 
1 1 1    6   34    0 o  131.797   1.1690 16807.94  282.897 16679.07  346.994 17063.37  488.536  131.060   1.3639  132.534   1.8989 -1.473541 2.337972 
1 1 1    6   34    1 o  184.065   1.3660 32912.81  468.090 32912.88  584.396 32912.67  781.855  184.089   1.6354  184.042   2.1885 0.4701233E-01 2.732019 
1 1 1    6   34    2 o  169.493   1.3284 27892.16  419.457 27856.36  523.971 27956.05  699.929  169.361   1.5938  169.625   2.1257 -0.2632446 2.656817 
1 1 1    6   34    3 f   59.447   0.7839  3453.45   85.290  3499.63  104.822  3362.97  146.716   60.042   0.8994   58.852   1.2843 1.189842 1.567860 
1 1 1    6   34    4 o   88.993   0.9256  7606.12  150.340  7449.21  182.740  7934.77  264.461   87.594   1.0747   90.391   1.5072 -2.797180 1.851125 
1 1 1    6   34    5 o   74.085   0.8514  5291.95  115.441  5218.90  140.915  5441.01  201.303   73.318   0.9901   74.853   1.3854 -1.534149 1.702841 
1 1 1    6   34    6 o  100.780   1.0000  9874.67  185.449  9897.28  228.561  9831.10  317.266  100.959   1.1663  100.600   1.6247 0.3588104 1.999907 
1 1 1    6   34    7 o  105.351   1.0443 10813.53  202.636 10884.55  250.247 10678.28  345.333  105.868   1.2177  104.833   1.6970 1.035423 2.088655 
1 1 1    6   34    8 o   52.263   0.7739  2600.56   73.264  2513.18   88.168  2795.50  131.690   50.877   0.8927   53.650   1.2645 -2.772663 1.547884 
1 1 1    6   34    9 o  130.904   1.1999 16735.10  288.682 16912.22  356.094 16395.48  493.075  131.947   1.3903  129.861   1.9560 2.085266 2.399742 
1 1 1    6   34   10 o   86.196   0.9247  7157.12  145.652  7042.09  177.444  7394.70  255.010   85.155   1.0735   87.238   1.5059 -2.082245 1.849313 
1 1 1    6   34   11 o   61.455   0.8179  3643.79   91.922  3596.64  112.146  3740.32  160.466   60.860   0.9493   62.050   1.3322 -1.190075 1.635816 
1 1 1    6   34   12 o   49.755   0.8157  2386.49   74.793  2347.89   91.914  2462.14  128.681   49.170   0.9630   50.340   1.3168 -1.169971 1.631381 
1 1 1    6   34   13 o  101.283   1.0351  9925.62  194.316  9822.80  240.692 10118.05  329.288  100.553   1.2331  102.013   1.6629 -1.460419 2.070182 
1 1 1    6   34   14 o   59.877   0.8107  3463.01   90.889  3409.11  113.911  3557.46  150.778   59.246   0.9905   60.508   1.2837 -1.261696 1.621391 
1 1 1    6   34   15 o   50.455   0.9189  2474.28   89.993  2511.42  127.027  2436.85  127.513   50.836   1.2872   50.075   1.3118 0.7615089 1.837890 
1 1 1    6   34   16 o   93.520   1.0530  8487.69  182.542  8445.88  226.432  8565.31  308.510   93.219   1.2513   93.822   1.6939 -0.6028290 2.106004 
1 1 1    6   34   17 o   27.685   1.2872  771.533   64.678  825.763   80.189  670.575  109.412   29.141   1.4176   26.228   2.1490 2.912540 2.574407 
1 1 1    6   34   18 o   38.927   0.9390  1473.08   69.968  1470.06   91.586  1477.31  108.434   38.886   1.2133   38.969   1.4334 -0.8312607E-01 1.878000 
1 1 1    6   34   19 o   43.220   0.9918  1839.91   78.803  1890.18   97.682  1746.23  133.358   44.094   1.1412   42.347   1.6223 1.747475 1.983501 
1 1 1    6   34   20 o   13.757   2.4490  194.662   64.183  198.378   81.660  188.657  103.811   13.925   3.1007   13.589   3.7916 0.3357067 4.897971 
1 1 1    6   34   21 o   29.351   1.2134  846.670   68.426  883.950   91.712  799.863  102.765   30.100   1.5696   28.603   1.8508 1.496494 2.426800 
1 1 1    6   34   22 o   43.396   1.0132  1854.98   83.776  1936.54  109.939  1742.03  129.374   44.570   1.2707   42.222   1.5785 2.347782 2.026409 
1 1 1    6   34   23 o   60.055   0.9435  3513.79  107.464  3485.07  137.738  3558.47  171.800   59.779   1.1870   60.330   1.4670 -0.5503845 1.887044 
1 1 1    6   34   24 o   44.097   1.0064  1922.82   84.645  2009.98  111.409  1803.82  130.184   45.334   1.2660   42.861   1.5647 2.473499 2.012715 
1 1 1    6   34   25 o   20.286   1.7459  410.282   68.402  367.596   91.548  464.230  102.918   19.104   2.4687   21.468   2.4696 -2.364361 3.491886 
1 1 1    6   34   26 o   32.098   1.2409  1017.69   76.526  991.140  100.699  1053.99  117.737   31.650   1.6390   32.547   1.8635 -0.8973274 2.481768 
1 1 1    6   34   27 o   20.197   2.1299  444.722   77.549  490.235  100.096  376.387  122.651   21.940   2.3503   18.455   3.5527 3.485292 4.259706 
1 1 1    6   34   28 o   39.760   1.1863  1599.67   88.991  1666.58  114.769  1498.80  140.923   40.970   1.4431   38.550   1.8832 2.419804 2.372511 
1 1 1    6   35    0 o  164.243   1.2998 26182.71  396.431 26131.98  493.146 26275.37  666.509  164.038   1.5487  164.449   2.0879 -0.4108429 2.599579 
1 1 1    6   35    1 o   97.177   0.9750  9134.82  173.750  9063.96  212.834  9276.39  300.845   96.621   1.1348   97.732   1.5858 -1.111069 1.949953 
1 1 1    6   35    2 o   30.604   0.9155  891.759   50.670  862.426   60.901  957.730   91.332   29.805   1.0526   31.404   1.4982 -1.599157 1.831046 
1 1 1    6   35    3 o  207.583   1.4502 41848.09  560.062 41790.68  698.420 41951.52  937.406  207.417   1.7346  207.749   2.3245 -0.3315887 2.900358 
1 1 1    6   35    4 o  101.496   1.0131 10023.28  189.231 10063.71  233.322  9945.59  323.466  101.805   1.1806  101.187   1.6468 0.6190186 2.026296 
1 1 1    6   35    5 o   38.249   0.8237  1409.98   57.000  1391.65   68.846  1449.94  101.635   37.860   0.9368   38.639   1.3551 -0.7785225 1.647331 
1 1 1    6   35    6 o   58.601   0.8892  3331.75  101.050  3265.10  139.294  3405.80  146.814   57.983   1.2376   59.218   1.2772 -1.235020 1.778395 
1 1 1    6   35    7 o   64.872   0.8032  4016.24   94.744  3891.76  114.490  4286.71  168.758   63.311   0.9316   66.434   1.3086 -3.123150 1.606339 
1 1 1    6   35    8 o  104.550   1.0361 10667.73  199.992 10778.77  247.895 10460.72  338.466  105.348   1.2122  103.752   1.6806 1.596504 2.072127 
1 1 1    6   35    9 o   37.453   0.8307  1382.19   57.309  1428.32   71.301  1297.99   96.326   38.353   0.9577   36.553   1.3575 1.799839 1.661356 
1 1 1    6   35   10 o   17.797   1.6071  278.708   52.649  217.231   63.416  415.073   94.449   14.943   2.1862   20.652   2.3560 -5.708676 3.214111 
1 1 1    6   35   11 o  104.574   1.0424 10652.42  200.892 10707.63  248.188 10547.52  342.116  104.989   1.2178  104.159   1.6920 0.8295975 2.084713 
1 1 1    6   35   12 o   25.182   1.2136  600.039   55.872  569.772   67.598  665.298   99.260   24.213   1.4382   26.151   1.9554 -1.937082 2.427292 
1 1 1    6   35   13 o   29.638   1.1268  890.621   59.795  960.255   73.453  753.825  102.952   31.439   1.2036   27.836   1.9053 3.603291 2.253625 
1 1 1    6   35   14 o   96.574   1.0296  9060.57  182.697  9049.34  224.611  9082.54  314.066   96.509   1.1989   96.639   1.6742 -0.1297150 2.059217 
1 1 1    6   35   15 o  138.654   1.3145 18648.28  344.035 18445.96  436.984 18978.14  557.977  137.711   1.6347  139.596   2.0591 -1.884964 2.629082 
1 1 1    6   35   16 o   84.686   0.9906  6962.32  153.779  6939.54  188.503  7007.66  265.895   84.504   1.1491   84.867   1.6140 -0.3627853 1.981297 
1 1 1    6   35   17 o   50.354   0.8598  2459.27   81.138  2443.52  102.041  2486.35  133.801   50.146   1.0483   50.562   1.3632 -0.4168053 1.719669 
1 1 1    6   35   18 o   31.288   1.1559  935.599   67.960  887.369   84.991  1021.12  113.172   30.201   1.4497   32.376   1.8008 -2.175207 2.311810 
1 1 1    6   35   19 f   25.444   1.4019  601.355   67.436  500.436   84.513  778.222  111.883   22.651   1.9221   28.237   2.0412 -5.586504 2.803727 
1 1 1    6   35   20 o   16.025   2.2270  241.460   66.682  175.691   83.765  355.247  110.178   13.074   3.3002   18.976   2.9910 -5.902384 4.453910 
1 1 1    6   35   21 o   9.7121   2.5815   71.329   66.478   89.056   89.040   49.002   99.927   10.107   3.6009   9.3176   3.7001 0.7889814 5.163002 
1 1 1    6   35   22 o   55.572   0.8981  3023.57   95.344  3080.48  124.896  2944.09  147.603   56.226   1.1443   54.917   1.3846 1.308743 1.796258 
1 1 1    6   35   23 o   50.897   0.9054  2518.06   88.704  2442.96  117.315  2618.30  135.544   50.032   1.2079   51.762   1.3490 -1.729424 1.810741 
1 1 1    6   35   24 o   47.026   0.9588  2160.90   86.556  2126.77  113.837  2207.68  133.262   46.618   1.2580   47.434   1.4473 -0.8156052 1.917571 
1 1 1    6   35   25 o   12.023   2.6255  154.286   67.729  170.370   94.603  137.375   97.008   12.563   3.6575   11.483   3.7677 1.079772 5.250958 
1 1 1    6   35   26 o   34.426   1.2012  1179.14   78.858  1192.48  102.775  1160.03  122.966   34.737   1.5241   34.114   1.8569 0.6230965 2.402301 
1 1 1    6   35   27 o   15.249   2.6309  256.101   76.725  209.622   99.870  323.039  119.852   13.600   3.6894   16.898   3.7516 -3.298188 5.261726 
1 1 1    6   35   28 o   16.318   2.9244  328.275   93.487  272.350  143.649  369.365  123.131   14.723   4.5585   17.913   3.6645 -3.190442 5.848789 
1 1 1    6   36    0 o   29.099   0.9279  798.422   49.400  754.756   59.767  892.583   87.766   27.881   1.1043   30.316   1.4914 -2.434776 1.855717 
1 1 1    6   36    1 o  116.218   1.1049 13103.45  236.827 13070.32  292.244 13166.80  404.200  116.017   1.2977  116.419   1.7886 -0.4019547 2.209741 
1 1 1    6   36    2 o  126.817   1.1311 15680.36  265.157 15816.10  328.948 15428.56  448.043  127.619   1.3278  126.015   1.8316 1.603760 2.262285 
1 1 1    6   36    3 o   36.828   0.8584  1288.08   57.013  1241.56   68.314  1394.85  103.489   35.760   0.9841   37.897   1.4068 -2.137035 1.716832 
1 1 1    6   36    4 o   67.114   0.8289  4373.47  101.000  4372.51  122.758  4375.47  177.693   67.109   0.9423   67.119   1.3638 -0.1084137E-01 1.657715 
1 1 1    6   36    5 o   70.105   0.8290  4733.73  106.404  4657.45  129.872  4889.49  185.575   69.259   0.9660   70.951   1.3474 -1.691902 1.657900 
1 1 1    6   36    6 o  107.327   1.0664 11082.22  208.434 10882.72  252.972 11503.98  367.820  105.855   1.2311  108.800   1.7416 -2.944702 2.132769 
1 1 1    6   36    7 o   65.072   0.8180  4134.49   97.338  4179.56  119.452  4045.42  167.926   65.609   0.9379   64.535   1.3405 1.074425 1.636022 
1 1 1    6   36    8 o   71.476   0.8361  4937.30  109.537  4888.07  134.031  5036.33  190.078   70.950   0.9732   72.002   1.3599 -1.052383 1.672268 
1 1 1    6   36    9 o   19.472   1.4286  386.943   50.377  429.287   63.135  312.742   83.576   21.019   1.5474   17.925   2.4019 3.093353 2.857188 
1 1 1    6   36   10 f  124.982   1.1742 15173.11  268.668 15150.28  329.072 15218.75  465.283  124.873   1.3576  125.091   1.9161 -0.2178879 2.348304 
1 1 1    6   36   11 o  138.399   1.2321 18501.98  313.569 18246.19  384.669 19008.59  541.353  137.023   1.4462  139.776   1.9952 -2.753067 2.464203 
1 1 1    6   36   12 o  112.914   1.1130 12398.59  234.070 12410.00  292.464 12378.26  390.409  113.011   1.3332  112.817   1.7827 0.1949158 2.226072 
1 1 1    6   36   13 o  112.959   1.1311 12369.80  234.061 12296.50  286.546 12516.78  405.741  112.490   1.3122  113.428   1.8427 -0.9375381 2.262232 
1 1 1    6   36   14 f   83.146   0.9695  6678.20  146.154  6605.06  176.951  6835.20  259.262   82.455   1.1055   83.838   1.5931 -1.382225 1.939086 
1 1 1    6   36   15 o   93.054   1.0513  8472.61  181.605  8601.55  226.830  8242.40  303.092   94.074   1.2421   92.034   1.6965 2.040184 2.102644 
1 1 1    6   36   16 o   57.169   0.8590  3134.14   91.235  3035.48  112.783  3320.93  155.190   55.895   1.0394   58.443   1.3679 -2.547436 1.718055 
1 1 1    6   36   17 o   37.860   0.9539  1385.75   68.428  1356.85   87.276  1431.86  110.242   37.359   1.2035   38.362   1.4804 -1.002750 1.907869 
1 1 1    6   36   18 o   55.652   0.9194  3020.09   94.877  3038.80  118.062  2985.98  159.420   55.913   1.0877   55.391   1.4827 0.5227509 1.838875 
1 1 1    6   36   19 o   49.178   0.8769  2357.40   81.994  2376.00  106.006  2329.71  129.368   49.431   1.1047   48.924   1.3622 0.5074654 1.753860 
1 1 1    6   36   20 o   24.675   1.4355  576.565   66.899  518.073   83.777  679.497  111.136   23.020   1.8748   26.331   2.1743 -3.310774 2.870993 
1 1 1    6   36   21 o   56.262   0.9135  3119.38   96.560  3229.22  123.264  2944.92  155.350   57.591   1.1026   54.933   1.4568 2.657448 1.827051 
1 1 1    6   36   22 o   15.691   2.2210  245.999   66.293  156.736   88.215  361.819  100.485   12.301   3.5175   19.082   2.7128 -6.780223 4.442056 
1 1 1    6   36   23 f   11.821   2.4239  137.185   64.415   53.356   89.613  226.805   92.656   8.9750   3.5229   14.668   3.3302 -5.692915 4.847801 
1 1 1    6   36   24 o   10.305   2.5186   95.776   64.065   44.354   88.476  152.457   92.890   8.6260   3.4627   11.984   3.6582 -3.357808 5.037107 
1 1 1    6   36   25 o   17.283   2.0573  307.901   67.072  261.941   91.154  362.162   99.044   15.701   3.1007   18.864   2.7048 -3.162107 4.114649 
1 1 1    6   36   26 o   20.807   1.8826  433.105   74.219  320.879   97.404  588.463  114.603   17.592   2.8524   24.022   2.4577 -6.429926 3.765132 
1 1 1    6   36   27 o   18.036   2.3702  368.905   77.612  411.714   99.544  302.538  123.945   19.941   2.5716   16.130   3.9823 3.810865 4.740461 
1 1 1    6   36   28 o   23.701   2.0784  612.016   93.122  545.874  143.107  660.591  122.639   22.268   3.3107   25.134   2.5136 -2.866346 4.156777 
1 1 1    6   37    0 o  160.622   1.3614 25043.81  421.297 24842.57  561.308 25303.43  637.558  159.895   1.8084  161.348   2.0356 -1.452087 2.722875 
1 1 1    6   37    1 o   93.002   0.9551  8406.48  163.508  8419.63  201.537  8381.14  279.683   93.118   1.1150   92.886   1.5511 0.2322693 1.910282 
1 1 1    6   37    2 o   84.250   0.9051  6959.08  140.264  7104.98  173.638  6685.09  237.952   85.541   1.0457   82.958   1.4776 2.583015 1.810210 
1 1 1    6   37    3 o  110.002   1.0559 11769.57  213.751 11801.14  263.475 11708.77  365.595  110.234   1.2313  109.771   1.7157 0.4631271 2.111824 
1 1 1    6   37    4 o  120.107   1.1171 13992.79  246.429 13944.52  302.662 14087.70  424.455  119.821   1.3012  120.394   1.8162 -0.5735474 2.234231 
1 1 1    6   37    5 o  103.634   1.0419 10436.72  199.076 10443.29  245.756 10424.18  339.516  103.696   1.2209  103.571   1.6887 0.1249695 2.083823 
1 1 1    6   37    6 o  112.059   1.0840 12196.55  223.589 12187.55  275.427 12213.95  382.889  112.017   1.2666  112.101   1.7595 -0.8403778E-01 2.168028 
1 1 1    6   37    7 o   75.465   0.8597  5497.81  118.362  5434.34  144.109  5629.37  207.491   74.809   0.9924   76.121   1.4042 -1.312424 1.719468 
1 1 1    6   37    8 o  115.948   1.1117 13016.85  236.159 12921.91  289.051 13207.47  409.561  115.337   1.2910  116.559   1.8101 -1.221542 2.223368 
1 1 1    6   37    9 o   64.021   0.8166  3996.57   96.047  4029.78  118.358  3932.53  164.364   64.419   0.9465   63.622   1.3309 0.7972679 1.633110 
1 1 1    6   37   10 o  154.666   1.3269 23307.52  381.370 23406.36  475.573 23129.45  638.346  155.175   1.5788  154.158   2.1332 1.016815 2.653879 
1 1 1    6   37   11 o   8.2371   2.3078   37.120   53.116   46.473   65.062   18.430   91.976   8.0871   3.0455   8.3871   3.4683 -0.3000965 4.615664 
1 1 1    6   37   12 f   41.422   0.8534  1683.84   66.050  1732.15   83.489  1603.03  107.987   42.230   1.0184   40.614   1.3697 1.615936 1.706850 
1 1 1    6   37   13 o   22.016   1.4218  491.616   56.877  537.075   71.097  410.801   94.796   23.502   1.5584   20.530   2.3786 2.972075 2.843666 
1 1 1    6   37   14 o   16.005   1.9579  259.222   56.574  271.092   71.060  238.673   93.496   16.679   2.1947   15.330   3.2430 1.348985 3.915892 
1 1 1    6   37   15 o  100.613   1.0784  9888.31  202.652 10003.04  254.854  9691.03  334.198  101.440   1.2942   99.785   1.7253 1.654900 2.156809 
1 1 1    6   37   16 o   67.491   0.8735  4449.52  110.948  4516.76  141.174  4340.91  179.421   68.175   1.0668   66.806   1.3835 1.368660 1.747038 
1 1 1    6   37   17 o   41.636   0.9943  1709.26   76.296  1762.86   94.929  1611.47  128.227   42.586   1.1483   40.686   1.6236 1.899982 1.988626 
1 1 1    6   37   18 o   60.686   0.9204  3614.35  103.973  3699.04  130.602  3467.79  171.811   61.686   1.0907   59.686   1.4829 1.999306 1.840809 
1 1 1    6   37   19 o   52.092   0.9021  2625.02   88.130  2579.27  110.670  2704.30  145.704   51.494   1.1071   52.690   1.4246 -1.195782 1.804196 
1 1 1    6   37   20 o   16.436   2.5249  270.137   77.869  357.728  121.620  209.283  101.372   18.665   3.4848   14.207   3.6548 4.458428 5.049878 
1 1 1    6   37   21 f   11.035   2.5233  120.177   64.819  162.969   83.615   55.736  102.610   12.538   3.3652   9.5328   3.7608 3.005012 5.046588 
1 1 1    6   37   22 o   51.920   0.9366  2638.36   92.188  2659.69  118.555  2605.74  146.618   52.221   1.1695   51.619   1.4632 0.6026039 1.873184 
1 1 1    6   37   23 o   44.446   0.9647  1934.97   81.815  1935.07  106.390  1934.82  127.990   44.485   1.2320   44.408   1.4847 0.7740784E-01 1.929346 
1 1 1    6   37   24 o   13.078   2.9419  182.260   81.191  189.961  139.661  178.329   99.784   13.325   4.5239   12.831   3.7623 0.4938087 5.883864 
1 1 1    6   37   25 o   32.120   1.2652  1028.39   78.387  1062.87  106.241  987.205  116.129   32.760   1.6706   31.480   1.9004 1.279760 2.530306 
1 1 1    6   37   26 o   40.008   1.1323  1620.43   85.373  1749.57  111.226  1435.25  133.191   42.111   1.3607   37.904   1.8102 4.206127 2.264533 
1 1 1    6   37   27 o   29.322   1.4869  867.982   83.264  837.749  107.734  912.829  131.214   28.801   1.9270   29.843   2.2650 -1.041912 2.973804 
1 1 1    6   38    0 o   55.857   0.7622  3004.07   77.826  2955.06   94.833  3105.15  136.197   55.169   0.8855   56.544   1.2408 -1.375038 1.524408 
1 1 1    6   38    1 o  124.085   1.1540 14987.51  265.241 15051.37  329.465 14869.88  447.148  124.481   1.3635  123.688   1.8623 0.7936249 2.308095 
1 1 1    6   38    2 o  108.683   1.0617 11557.34  213.068 11747.25  264.558 11206.75  359.448  109.979   1.2392  107.387   1.7243 2.592270 2.123428 
1 1 1    6   38    3 o   78.169   0.8830  5916.86  126.147  5882.17  154.068  5987.40  219.726   77.831   1.0197   78.507   1.4418 -0.6757507 1.765980 
1 1 1    6   38    4 o   63.333   0.8109  3945.27   94.413  4057.29  117.040  3736.59  159.750   64.642   0.9327   62.023   1.3269 2.619373 1.621880 
1 1 1    6   38    5 o   86.906   0.9382  7287.10  149.131  7191.33  181.969  7483.02  260.255   86.053   1.0893   87.758   1.5277 -1.704643 1.876335 
1 1 1    6   38    6 o  132.089   1.2103 17001.56  295.609 17101.17  366.631 16816.48  499.741  132.672   1.4236  131.505   1.9577 1.166931 2.420538 
1 1 1    6   38    7 o   86.460   0.9459  7325.18  150.102  7461.63  185.277  7064.59  256.050   87.654   1.0889   85.265   1.5470 2.389229 1.891791 
1 1 1    6   38    8 o  104.925   1.0520 10723.28  203.286 10777.72  250.934 10619.35  346.744  105.333   1.2272  104.516   1.7091 0.8173218 2.104054 
1 1 1    6   38    9 o   97.874   1.0294  9308.17  184.937  9305.41  227.171  9313.58  318.448   97.873   1.1957   97.875   1.6761 -0.2021790E-02 2.058897 
1 1 1    6   38   10 o  104.438   1.0629 10622.97  204.564 10670.54  252.664 10532.44  348.527  104.801   1.2420  104.075   1.7251 0.7268066 2.125705 
1 1 1    6   38   11 o   30.782   1.0550  909.792   58.790  890.617   70.918  951.923  105.121   30.277   1.2066   31.286   1.7309 -1.008841 2.109962 
1 1 1    6   38   12 o   59.773   0.9287  3466.31  107.632  3358.73  148.003  3587.08  156.808   58.791   1.2969   60.754   1.3296 -1.963799 1.857347 
1 1 1    6   38   13 o   38.036   0.9127  1397.46   65.146  1373.32   81.884  1439.08  107.530   37.597   1.1220   38.474   1.4398 -0.8774185 1.825306 
1 1 1    6   38   14 o   76.004   0.9124  5557.08  127.712  5435.49  156.640  5798.16  220.572   74.794   1.0789   77.213   1.4716 -2.419075 1.824726 
1 1 1    6   38   15 o   26.697   1.2068  692.468   62.024  684.253   82.360  703.230   94.273   26.519   1.5999   26.875   1.8071 -0.3560314 2.413559 
1 1 1    6   38   16 o   14.854   2.1807  200.977   62.081  111.343   78.230  353.432  102.025   10.707   3.3720   19.001   2.7660 -8.294260 4.361356 
1 1 1    6   38   17 o   97.700   1.1249  9227.83  200.983  9100.21  245.171  9489.33  350.941   96.727   1.3057   98.673   1.8322 -1.945526 2.249859 
1 1 1    6   38   18 o   48.581   0.9214  2293.55   84.534  2283.56  107.619  2309.65  136.594   48.457   1.1441   48.705   1.4448 -0.2474403 1.842899 
1 1 1    6   38   19 o   13.825   2.4614  200.982   65.326  218.779   83.305  172.559  105.275   14.617   3.0352   13.033   3.8758 1.584187 4.922805 
1 1 1    6   38   20 o   25.670   1.2712  652.026   62.589  713.319   85.030  579.549   92.464   27.021   1.6211   24.319   1.9586 2.701567 2.542475 
1 1 1    6   38   21 o   15.966   2.1916  257.054   64.343  233.377   82.318  294.240  103.160   15.066   2.9202   16.866   3.2688 -1.800675 4.383227 
1 1 1    6   38   22 o   25.966   1.3802  662.321   68.416  652.891   88.760  676.124  107.388   25.773   1.7742   26.159   2.1148 -0.3856335 2.760461 
1 1 1    6   38   23 o   8.1194   2.4140   8.4601   67.663   57.884   89.291 -58.1997  103.698   9.0258   3.5240   7.2131   3.3001 1.812696 4.827927 
1 1 1    6   38   24 o   28.257   1.3678  799.193   74.084  837.487   98.846  750.111  111.906   29.095   1.7502   27.420   2.1024 1.674467 2.735541 
1 1 1    6   38   25 o   25.746   1.5297  670.065   75.498  687.210  100.100  647.443  114.980   26.209   1.9675   25.282   2.3428 0.9266987 3.059394 
1 1 1    6   38   26 o   14.651   2.6631  245.151   75.186  249.515   96.532  238.420  119.877   14.987   3.3965   14.315   4.1027 0.6729107 5.326218 
1 1 1    6   38   27 o   19.909   2.2295  442.706   81.055  484.072  106.093  384.709  125.622   21.524   2.5392   18.293   3.6654 3.230841 4.458982 
1 1 1    6   39    0 o  102.012   0.9580 10090.03  166.818 10069.85  194.081 10147.12  326.399  101.837   0.9818  102.188   1.6454 -0.3517456 1.916081 
1 1 1    6   39    1 o   77.681   0.8820  5895.64  126.378  5974.73  156.602  5747.96  214.000   78.441   1.0285   76.921   1.4332 1.519600 1.764021 
1 1 1    6   39    2 o   33.485   0.9789  1090.54   63.480  1001.60   89.519  1180.50   90.031   32.109   1.4362   34.861   1.3304 -2.751976 1.957721 
1 1 1    6   39    3 o   24.302   1.3204  576.022   62.076  609.497   86.102  539.789   89.579   25.041   1.7713   23.562   1.9585 1.479244 2.640708 
1 1 1    6   39    4 o  167.563   1.3740 27482.32  426.461 27921.69  531.387 26687.24  714.827  169.504   1.6150  165.622   2.2234 3.882553 2.748032 
1 1 1    6   39    5 o  165.110   1.3776 26492.64  417.168 26459.65  511.933 26557.87  719.729  165.007   1.5983  165.213   2.2442 -0.2055206 2.755147 
1 1 1    6   39    6 o   76.878   0.8857  5756.12  124.166  5785.52  151.730  5696.52  216.036   77.187   1.0127   76.570   1.4535 0.6166992 1.771448 
1 1 1    6   39    7 o   69.335   0.9767  4675.05  131.210  4744.35  180.950  4598.21  190.539   69.880   1.3340   68.790   1.4269 1.089653 1.953316 
1 1 1    6   39    8 o  101.342   1.0484 10068.66  195.583 10263.93  242.214  9702.79  331.554  102.789   1.2139   99.895   1.7098 2.893181 2.096900 
1 1 1    6   39    9 o   35.262   0.9602  1230.18   60.920  1269.23   74.088  1148.66  107.045   36.150   1.0558   34.374   1.6042 1.775539 1.920500 
1 1 1    6   39   10 o   16.136   1.8186  245.320   54.192  182.151   69.123  346.074   87.298   13.424   2.7452   18.848   2.3861 -5.423504 3.637213 
1 1 1    6   39   11 o   79.699   0.9147  6148.49  133.230  6102.19  162.660  6242.88  232.234   79.260   1.0572   80.137   1.4929 -0.8771820 1.829318 
1 1 1    6   39   12 o   93.712   1.0161  8612.35  175.668  8786.40  218.143  8291.24  296.295   95.095   1.1817   92.329   1.6532 2.765587 2.032124 
1 1 1    6   39   13 o   19.544   1.5716  363.871   58.307  334.675   73.874  412.108   94.956   18.535   2.0533   20.554   2.3799 -2.019531 3.143233 
1 1 1    6   39   14 o   60.358   0.8719  3551.34   97.522  3576.24  121.289  3505.82  164.023   60.671   1.0298   60.046   1.4072 0.6256828 1.743792 
1 1 1    6   39   15 o   78.749   0.9517  5978.69  138.448  5863.82  170.479  6201.19  237.272   77.671   1.1307   79.827   1.5312 -2.155365 1.903432 
1 1 1    6   39   16 o   36.446   1.0500  1293.10   70.422  1294.30   86.774  1290.79  120.527   36.486   1.2252   36.407   1.7054 0.7918167E-01 2.099913 
1 1 1    6   39   17 o   75.913   0.9739  5653.25  137.191  5768.29  171.514  5448.92  228.593   77.023   1.1471   74.802   1.5743 2.220955 1.947891 
1 1 1    6   39   18 o   23.444   1.3903  531.348   62.926  470.389   84.244  608.284   94.643   21.938   1.9782   24.950   1.9541 -3.011322 2.780643 
1 1 1    6   39   19 o   27.466   1.3375  723.581   69.538  677.127   87.834  801.595  113.825   26.327   1.7187   28.605   2.0499 -2.278219 2.675082 
1 1 1    6   39   20 o   41.957   0.9610  1723.50   76.204  1744.29   97.568  1690.99  122.027   42.309   1.1880   41.606   1.5109 0.7024155 1.922010 
1 1 1    6   39   21 o   37.615   1.0290  1400.44   73.476  1476.94   96.038  1292.43  114.104   38.901   1.2718   36.328   1.6180 2.572941 2.058036 
1 1 1    6   39   22 o   25.968   1.3831  645.983   68.629  528.346   88.838  820.101  108.080   23.120   1.9795   28.816   1.9322 -5.696838 2.766156 
1 1 1    6   39   23 o   23.882   1.5365  561.202   70.709  495.981   93.569  648.035  107.964   22.291   2.1624   25.472   2.1834 -3.181860 3.073037 
1 1 1    6   39   24 o   26.524   1.4695  693.313   74.991  632.523   98.389  777.585  115.843   25.179   2.0130   27.868   2.1414 -2.688610 2.938999 
1 1 1    6   39   25 o   31.339   1.3563  1012.08   79.856  1163.93  106.390  816.144  120.856   34.257   1.5999   28.422   2.1906 5.835566 2.712581 
1 1 1    6   39   26 f   19.795   2.2612  449.576   78.569  529.342  101.005  327.360  125.025   22.754   2.2868   16.837   3.9017 5.917170 4.522452 
1 1 1    6   39   27 o   28.038   1.8487  816.963   98.128  872.678  158.957  782.657  124.731   28.583   2.8649   27.492   2.3372 1.091232 3.697315 
1 1 1    6   40    0 o  104.338   0.9887 10588.99  176.536 10603.54  205.855 10548.54  343.212  104.496   1.0148  104.179   1.6971 0.3170319 1.977407 
1 1 1    6   40    1 o   25.261   1.1385  568.187   50.856  503.822   59.241  748.511   99.156   22.774   1.3400   27.748   1.8409 -4.974072 2.276971 
1 1 1    6   40    2 o   42.851   0.8240  1795.50   62.447  1813.15   74.507  1753.80  114.488   43.213   0.8882   42.488   1.3881 0.7249565 1.647964 
1 1 1    6   40    3 o  134.061   1.2112 17432.53  299.216 17353.50  368.717 17584.94  512.054  133.648   1.4212  134.475   1.9616 -0.8280182 2.422344 
1 1 1    6   40    4 f   17.409   1.5685  285.477   50.602  265.348   61.914  325.973   87.819   16.519   1.9308   18.299   2.4723 -1.779383 3.136908 
1 1 1    6   40    5 o   82.246   1.0456  6575.04  166.884  6685.33  234.383  6461.65  237.672   82.947   1.4557   81.545   1.5015 1.402344 2.091249 
1 1 1    6   40    6 o   75.763   0.8810  5573.37  121.656  5567.93  148.368  5584.54  212.528   75.718   1.0094   75.807   1.4442 -0.8923340E-01 1.762039 
1 1 1    6   40    7 o   38.274   0.8972  1467.12   62.002  1553.28   76.231  1298.72  106.571   39.993   0.9819   36.555   1.5019 3.438015 1.794387 
1 1 1    6   40    8 f   85.773   0.9381  7147.94  147.403  7146.76  180.700  7150.29  254.832   85.778   1.0852   85.768   1.5306 0.9872437E-02 1.876278 
1 1 1    6   40    9 o   45.572   0.8568  2039.22   71.115  2081.79   87.165  1954.46  122.984   46.299   0.9699   44.845   1.4128 1.453701 1.713629 
1 1 1    6   40   10 o   65.943   0.8421  4262.13  102.668  4351.22  127.815  4100.13  172.364   66.933   0.9837   64.953   1.3671 1.980377 1.684207 
1 1 1    6   40   11 o   28.898   1.1191  830.842   58.615  867.891   72.011  758.099  100.903   29.886   1.2413   27.911   1.8624 1.974478 2.238109 
1 1 1    6   40   12 o   33.015   1.0626  1073.35   64.384  1102.73   79.659  1018.01  109.340   33.686   1.2182   32.345   1.7415 1.340950 2.125259 
1 1 1    6   40   13 o   56.097   0.8689  3059.14   90.691  3060.40  113.162  3056.86  151.634   56.125   1.0387   56.070   1.3932 0.5499268E-01 1.737749 
1 1 1    6   40   14 o   44.394   0.9143  1878.05   75.297  1792.73   92.650  2044.02  129.226   42.949   1.1113   45.840   1.4523 -2.890301 1.828661 
1 1 1    6   40   15 o   72.863   0.9384  5200.66  126.766  5293.63  158.210  5033.93  211.865   73.801   1.1043   71.925   1.5175 1.876442 1.876765 
1 1 1    6   40   16 o   44.993   0.9522  1958.04   79.187  1932.82   97.716  2006.30  135.152   44.589   1.1289   45.398   1.5336 -0.8088379 1.904354 
1 1 1    6   40   17 o   37.283   1.0413  1364.68   73.838  1413.18   96.279  1295.40  115.059   38.108   1.3015   36.459   1.6258 1.649208 2.082558 
1 1 1    6   40   18 o   30.657   1.2035  943.471   68.997  1036.74   89.329  805.540  108.630   32.616   1.4109   28.697   1.9500 3.919058 2.406935 
1 1 1    6   40   19 o   15.891   2.2412  270.393   64.688  307.613   81.441  206.774  106.475   17.679   2.3731   14.103   3.8026 3.576241 4.482306 
1 1 1    6   40   20 o   19.133   1.8015  367.121   65.331  387.097   85.203  338.619  101.774   19.820   2.2146   18.447   2.8421 1.372274 3.603051 
1 1 1    6   40   21 o   24.218   1.3396  571.523   62.043  447.020   83.657  723.705   92.490   21.292   2.0241   27.144   1.7553 -5.852331 2.679182 
1 1 1    6   40   22 o   38.565   1.0220  1465.13   74.809  1488.07   96.633  1430.82  118.182   38.989   1.2768   38.141   1.5962 0.8481636 2.044029 
1 1 1    6   40   23 f   29.247   1.2787  849.707   71.269  861.302   92.787  833.024  111.300   29.549   1.6176   28.944   1.9809 0.6049576 2.557489 
1 1 1    6   40   24 o   11.771   2.5759  149.488   71.564  220.527   94.201   52.533  110.051   14.186   3.4534   9.3570   3.8231 4.828520 5.151901 
1 1 1    6   40   25 o   7.3704   2.3752 -43.0248   74.808 -18.0883   96.686 -80.2193  118.083   7.4343   3.3124   7.3065   3.4051 0.1277742 4.750420 
1 1 1    6   40   26 o   32.025   1.3697  1038.56   83.527  1045.55  108.464  1028.38  130.936   32.287   1.7306   31.763   2.1236 0.5243931 2.739453 
1 1 1    6   41    0 o   66.415   0.8149  4281.67   97.508  4277.81  117.694  4290.11  174.118   66.375   0.9135   66.454   1.3498 -0.7927704E-01 1.629798 
1 1 1    6   41    1 o   32.765   0.9505  1036.89   55.756  1027.53   66.822  1058.34  101.162   32.528   1.0583   33.001   1.5791 -0.4729347 1.900956 
1 1 1    6   41    2 o   32.958   0.9501  1023.48   55.338  981.411   65.207  1131.77  104.618   31.790   1.0567   34.126   1.5792 -2.336596 1.900158 
1 1 1    6   41    3 o   67.268   0.8385  4335.64  101.431  4240.74  121.630  4552.33  183.792   66.085   0.9481   68.451   1.3832 -2.366470 1.676959 
1 1 1    6   41    4 o   61.821   0.8055  3694.13   90.297  3662.06  109.397  3762.69  159.947   61.410   0.9177   62.232   1.3240 -0.8218193 1.610969 
1 1 1    6   41    5 o   75.128   0.8735  5497.31  120.137  5525.72  147.379  5441.06  207.404   75.430   1.0065   74.827   1.4279 0.6031799 1.746988 
1 1 1    6   41    6 o   59.747   0.8204  3428.80   88.749  3362.35  107.103  3574.39  158.539   58.842   0.9377   60.652   1.3466 -1.809746 1.640873 
1 1 1    6   41    7 o   41.118   0.8509  1606.29   63.120  1548.08   75.653  1739.61  114.499   39.925   0.9761   42.310   1.3941 -2.384716 1.701869 
1 1 1    6   41    8 o   66.039   0.8478  4289.25  103.195  4410.92  128.301  4066.30  173.673   67.392   0.9807   64.686   1.3831 2.706322 1.695535 
1 1 1    6   41    9 o   43.993   0.8692  1827.80   70.364  1724.28   85.604  2043.43  123.546   42.133   1.0467   45.853   1.3880 -3.720444 1.738414 
1 1 1    6   41   10 o   49.258   0.8393  2357.54   76.179  2357.74   93.967  2357.17  130.118   49.269   0.9825   49.247   1.3611 0.2225876E-01 1.678677 
1 1 1    6   41   11 o   98.401   1.0446  9463.52  189.261  9571.14  233.970  9259.79  321.909   99.243   1.2145   97.559   1.6998 1.684265 2.089104 
1 1 1    6   41   12 o   30.746   1.1134  898.041   63.641  848.797   78.380  993.327  109.027   29.546   1.3666   31.945   1.7582 -2.398422 2.226840 
1 1 1    6   41   13 o   41.297   1.0893  1659.71   87.279  1599.66  123.518  1719.60  123.343   40.549   1.5692   42.045   1.5113 -1.496273 2.178624 
1 1 1    6   41   14 o   67.786   0.9135  4502.32  114.264  4580.98  141.822  4356.79  192.903   68.657   1.0641   66.916   1.4851 1.741356 1.826960 
1 1 1    6   41   15 o   80.414   0.9790  6300.29  144.961  6321.20  178.844  6260.23  247.508   80.638   1.1425   80.190   1.5900 0.4487381 1.957955 
1 1 1    6   41   16 o   26.357   1.3476  684.677   66.067  703.386   83.017  652.363  109.105   26.873   1.5914   25.840   2.1751 1.032423 2.695129 
1 1 1    6   41   17 o   51.870   0.8603  2616.32   84.721  2608.19  108.931  2628.76  134.782   51.783   1.0837   51.957   1.3363 -0.1747360 1.720525 
1 1 1    6   41   18 o   35.305   1.0897  1237.79   71.581  1298.66   90.553  1136.40  116.871   36.512   1.2776   34.098   1.7657 2.413780 2.179437 
1 1 1    6   41   19 o   7.5723   2.3051  -2.7582   60.821   7.8971   79.105 -18.1649   95.121   7.5019   3.1670   7.6426   3.3501 -0.1406503 4.610147 
1 1 1    6   41   20 o   48.858   0.9304  2353.38   84.517  2413.55  106.094  2248.86  139.820   49.765   1.0983   47.952   1.5021 1.813065 1.860771 
1 1 1    6   41   21 o   25.129   1.3688  633.862   65.362  689.317   86.635  560.593   99.583   26.478   1.6856   23.781   2.1572 2.697147 2.737637 
1 1 1    6   41   22 o   20.316   1.6878  407.712   65.824  373.492   85.717  456.896  102.763   19.320   2.2855   21.311   2.4841 -1.990725 3.375563 
1 1 1    6   41   23 o   19.183   1.9678  386.376   69.860  433.566   94.109  328.454  104.263   20.764   2.3348   17.601   3.1681 3.163441 3.935510 
1 1 1    6   41   24 o   14.596   2.6215  237.777   73.879  235.103   97.615  241.364  113.033   14.586   3.4936   14.606   3.9094 -0.2025795E-01 5.242940 
1 1 1    6   41   25 o   27.512   1.5243  758.160   79.852  719.505  102.328  818.356  127.695   26.724   1.9725   28.300   2.3244 -1.576225 3.048584 
1 1 1    6   41   26 o   9.4479   2.7182   69.975   77.851   70.109  103.710   69.803  117.834   9.3027   3.7438   9.5931   3.9420 -0.2903719 5.436492 
1 1 1    6   42    0 o   38.696   0.8860  1500.60   56.464  1544.24   65.073  1367.61  113.589   39.880   0.8406   37.512   1.5599 2.368092 1.771980 
1 1 1    6   42    1 o   78.807   0.8917  5986.96  128.309  5898.92  156.226  6169.42  224.909   77.936   1.0326   79.679   1.4541 -1.743011 1.783487 
1 1 1    6   42    2 o   71.898   0.8576  5020.20  112.500  5017.37  137.347  5025.97  196.109   71.878   0.9844   71.918   1.4047 -0.4023743E-01 1.715300 
1 1 1    6   42    3 o   62.081   0.8247  3753.97   92.135  3771.18  111.261  3716.40  164.356   62.318   0.9197   61.844   1.3691 0.4735832 1.649320 
1 1 1    6   42    4 o   44.682   0.8497  1972.13   66.760  2018.85   79.629  1861.60  122.480   45.596   0.8997   43.767   1.4416 1.828648 1.699304 
1 1 1    6   42    5 o  119.999   1.1733 13955.92  257.648 13868.72  315.053 14132.00  447.686  119.468   1.3585  120.529   1.9134 -1.061043 2.346665 
1 1 1    6   42    6 o   49.626   0.8207  2408.31   74.023  2438.49   90.349  2346.70  129.104   50.110   0.9288   49.143   1.3534 0.9673996 1.641440 
1 1 1    6   42    7 f   58.250   0.8281  3338.13   88.272  3426.59  108.868  3168.37  150.814   59.400   0.9442   57.100   1.3606 2.300110 1.656142 
1 1 1    6   42    8 f   68.359   0.8539  4545.80  106.938  4557.35  131.189  4522.94  184.609   68.500   0.9866   68.218   1.3941 0.2823105 1.707889 
1 1 1    6   42    9 o   44.078   0.8708  1917.10   69.240  1969.99   84.300  1807.44  121.384   45.036   0.9643   43.119   1.4502 1.916912 1.741512 
1 1 1    6   42   10 o   54.995   0.8400  2944.57   84.538  2956.08  103.634  2921.69  146.155   55.166   0.9677   54.823   1.3734 0.3429832 1.680071 
1 1 1    6   42   11 o   83.046   0.9412  6788.31  145.488  7014.90  183.234  6401.78  239.321   84.966   1.1110   81.127   1.5197 3.838593 1.882454 
1 1 1    6   42   12 o   64.816   0.8795  4048.32  105.451  3970.25  130.041  4198.24  180.204   63.925   1.0480   65.707   1.4128 -1.782009 1.759071 
1 1 1    6   42   13 o   11.052   2.5149   93.088   61.199   45.120   74.723  190.815  106.657   8.3881   3.2379   13.715   3.8490 -5.327044 5.029786 
1 1 1    6   42   14 o   41.504   0.9720  1655.19   74.931  1607.76   92.663  1744.81  127.366   40.668   1.1738   42.341   1.5496 -1.673016 1.944009 
1 1 1    6   42   15 o   63.182   0.9148  3881.92  106.745  3879.40  131.987  3886.69  181.494   63.174   1.0763   63.190   1.4796 -0.1677322E-01 1.829657 
1 1 1    6   42   16 o   53.823   0.9087  2816.37   90.793  2809.24  112.896  2829.42  152.761   53.748   1.0821   53.898   1.4601 -0.1502686 1.817326 
1 1 1    6   42   17 o   38.233   0.9926  1419.69   71.749  1403.20   91.377  1446.20  115.864   37.961   1.2400   38.504   1.5502 -0.5424728 1.985111 
1 1 1    6   42   18 o   8.7516   2.4943   37.937   63.232   37.782   79.158   38.210  105.108   8.2817   3.2918   9.2215   3.7484 -0.9397984 4.988627 
1 1 1    6   42   19 o   26.457   1.2048  678.841   61.491  628.086   81.589  745.577   93.557   25.330   1.6594   27.584   1.7472 -2.254793 2.409615 
1 1 1    6   42   20 o   21.028   1.6523  434.786   65.522  423.946   82.885  452.847  106.985   20.730   2.0597   21.327   2.5843 -0.5963497 3.304658 
1 1 1    6   42   21 o   55.084   0.9154  2957.23   94.570  2919.58  118.922  3021.98  155.975   54.669   1.1206   55.500   1.4478 -0.8309975 1.830792 
1 1 1    6   42   22 o   22.747   1.4584  515.647   64.256  473.073   90.099  559.714   91.665   21.771   2.1319   23.723   1.9905 -1.951817 2.916746 
1 1 1    6   42   23 o   13.075   2.5782  190.337   68.071  208.945   89.117  164.275  105.469   13.858   3.3499   12.292   3.9201 1.566113 5.156446 
1 1 1    6   42   24 o   13.524   2.6583  207.189   71.805  213.579   93.357  197.932  112.359   13.857   3.4765   13.191   4.0226 0.6661167 5.316663 
1 1 1    6   42   25 o   8.7343   2.5329   29.702   75.194  105.369   99.569 -70.7341  114.714   10.229   3.7841   7.2391   3.3678 2.990294 5.065734 
1 1 1    6   43    0 o   59.050   0.8100  3375.66   84.378  3359.87  100.127  3414.34  156.734   58.822   0.8769   59.278   1.3621 -0.4552574 1.619944 
1 1 1    6   43    1 o   37.830   0.8653  1409.39   49.945  1421.43   55.650  1359.49  113.244   38.262   0.7493   37.398   1.5599 0.8643112 1.730532 
1 1 1    6   43    2 o   52.830   0.8065  2693.73   77.454  2662.26   93.987  2760.34  136.736   52.359   0.9247   53.301   1.3216 -0.9412689 1.612955 
1 1 1    6   43    3 o   13.978   2.0683  192.333   51.551  182.566   62.573  212.969   90.953   13.478   2.4831   14.478   3.3085 -1.000294 4.136657 
1 1 1    6   43    4 o   47.492   0.8235  2172.93   69.100  2147.83   81.947  2234.71  128.545   47.030   0.8976   47.955   1.3809 -0.9250641 1.646993 
1 1 1    6   43    5 o   57.595   0.8128  3256.87   84.681  3319.91  103.104  3126.21  148.440   58.469   0.9084   56.720   1.3482 1.749599 1.625677 
1 1 1    6   43    6 o   62.469   0.8340  3781.01   95.444  3760.69  116.857  3821.71  165.419   62.227   0.9674   62.710   1.3589 -0.4833984 1.668063 
1 1 1    6   43    7 o   70.666   0.8624  4835.07  111.138  4802.96  135.425  4901.30  194.494   70.321   0.9921   71.012   1.4110 -0.6908035 1.724826 
1 1 1    6   43    8 o   47.342   0.8366  2133.92   72.871  2046.30   88.915  2313.18  127.176   45.899   0.9979   48.786   1.3429 -2.886509 1.673115 
1 1 1    6   43    9 o   70.905   0.8888  4883.28  115.600  4877.86  141.884  4893.98  199.372   70.861   1.0315   70.948   1.4476 -0.8704376E-01 1.777521 
1 1 1    6   43   10 o   70.506   0.8863  4790.21  114.050  4711.56  138.768  4953.92  200.205   69.639   1.0265   71.373   1.4450 -1.734451 1.772525 
1 1 1    6   43   11 o   24.723   1.3496  593.484   62.161  589.051   77.546  601.455  103.972   24.605   1.6235   24.840   2.1563 -0.2345638 2.699146 
1 1 1    6   43   12 o   21.714   9.2579 -343.7702   77.259 -349.6318   77.751  114.320  687.344  ?   ?    21.714   9.2579      ?      ? 
1 1 1    6   43   13 o   76.520   0.9521  5643.79  133.984  5538.85  164.209  5852.81  231.752   75.489   1.1206   77.551   1.5395 -2.061676 1.904118 
1 1 1    6   43   14 f   79.054   0.9852  6130.33  144.124  6250.46  179.572  5912.87  241.604   80.181   1.1537   77.926   1.5972 2.255424 1.970307 
1 1 1    6   43   15 o   65.273   0.9077  4121.54  109.893  4065.61  136.142  4226.13  186.167   64.664   1.0846   65.882   1.4557 -1.217751 1.815323 
1 1 1    6   43   16 o   57.322   0.8791  3176.09   94.131  3117.21  117.530  3281.44  157.203   56.608   1.0696   58.035   1.3954 -1.426548 1.758175 
1 1 1    6   43   17 o   6.0145   2.0296 -120.7125   62.228 -146.4195   78.112 -76.0587  102.949   4.9842   2.4362   7.0448   3.2469 -2.060564 4.059289 
1 1 1    6   43   18 o   27.287   1.3299  739.044   68.146  768.535   87.084  692.458  109.452   28.036   1.6002   26.538   2.1247 1.498156 2.659862 
1 1 1    6   43   19 o   52.677   0.8994  2732.78   89.005  2811.05  113.403  2607.24  143.632   53.707   1.0877   51.647   1.4326 2.060455 1.798792 
1 1 1    6   43   20 f   7.0150   2.2279 -30.9783   60.893 -26.9968   76.043 -38.0947  101.664   6.5465   2.9257   7.4835   3.3608 -0.9369411 4.455861 
1 1 1    6   43   21 o   26.425   1.3806  723.134   67.250  825.710   86.979  570.663  106.043   28.965   1.5469   23.884   2.2872 5.080492 2.761214 
1 1 1    6   43   22 o   14.472   2.3327  226.508   64.142  248.685   88.423  201.878   93.186   15.306   3.0826   13.637   3.5020 1.669667 4.665447 
1 1 1    6   43   23 o   27.052   1.4633  746.298   74.512  789.775   96.268  681.330  117.680   28.175   1.7602   25.929   2.3381 2.246603 2.926553 
1 1 1    6   43   24 o   36.374   1.1772  1290.34   81.997  1158.19  105.879  1488.37  129.610   34.133   1.5980   38.616   1.7290 -4.482895 2.354388 
1 1 1    6   43   25 o   14.985   2.6578  259.832   76.851  235.363  102.678  291.000  115.884   14.219   3.6885   15.751   3.8276 -1.532224 5.315632 
1 1 1    6   44    0 o   46.102   0.7825  2040.06   63.470  2007.58   74.971  2122.23  119.250   45.469   0.8494   46.735   1.3145 -1.265503 1.565024 
1 1 1    6   44    1 o   57.012   0.8111  3121.13   81.547  3071.94   96.483  3244.15  152.577   56.245   0.8837   57.780   1.3603 -1.535416 1.622172 
1 1 1    6   44    2 o   70.196   0.8771  4769.60  111.574  4738.31  135.167  4836.50  197.663   69.848   0.9969   70.544   1.4435 -0.6952515 1.754242 
1 1 1    6   44    3 o   82.821   0.9242  6657.79  140.700  6642.42  173.011  6687.81  241.784   82.695   1.0778   82.947   1.5016 -0.2523346 1.848368 
1 1 1    6   44    4 o   53.117   0.8172  2752.97   78.749  2775.12   95.853  2706.97  138.130   53.456   0.9237   52.779   1.3482 0.6776428 1.634315 
1 1 1    6   44    5 o   83.064   0.9336  6688.86  141.538  6658.04  172.699  6751.91  247.018   82.790   1.0746   83.338   1.5269 -0.5472107 1.867167 
1 1 1    6   44    6 o   66.381   0.8362  4234.98  100.910  4152.22  122.232  4412.12  178.822   65.385   0.9630   67.377   1.3672 -1.992035 1.672364 
1 1 1    6   44    7 o   66.796   0.8675  4376.03  106.614  4466.54  132.016  4206.31  180.776   67.811   1.0029   65.781   1.4157 2.030373 1.734963 
1 1 1    6   44    8 o   72.389   0.8810  5100.33  117.627  5117.45  145.376  5067.89  200.168   72.580   1.0318   72.198   1.4282 0.3817062 1.761984 
1 1 1    6   44    9 o   42.740   0.9141  1800.24   71.195  1849.53   87.470  1703.48  122.550   43.631   1.0328   41.850   1.5085 1.781750 1.828189 
1 1 1    6   44   10 o   73.930   0.9258  5328.40  126.241  5362.03  156.135  5264.89  214.534   74.287   1.0827   73.574   1.5021 0.7128830 1.851676 
1 1 1    6   44   11 o  146.079   1.4448 20888.88  386.033 21055.92  473.609 20558.22  666.334  147.066   1.6590  145.091   2.3658 1.974869 2.889541 
1 1 1    6   44   12 o   82.945   0.9646  6728.14  148.981  6824.44  186.754  6559.57  247.067   83.791   1.1482   82.099   1.5503 1.691711 1.929165 
1 1 1    6   44   13 o   66.265   0.9042  4298.41  111.773  4374.52  140.564  4167.53  184.330   67.087   1.0794   65.442   1.4510 1.644318 1.808448 
1 1 1    6   44   14 o   11.326   2.5555  123.181   62.211  119.253   79.389  129.431  100.140   10.996   3.3862   11.655   3.8282 -0.6595383 5.110921 
1 1 1    6   44   15 o   46.585   0.9222  2135.59   80.574  2206.80  102.544  2020.68  130.266   47.630   1.1091   45.539   1.4736 2.091312 1.844337 
1 1 1    6   44   16 o   12.090   2.4899  148.061   60.979  147.744   77.865  148.565   98.062   12.001   3.2585   12.178   3.7656 -0.1766815 4.979732 
1 1 1    6   44   17 o   68.714   0.9394  4631.35  119.536  4696.92  148.849  4512.25  200.601   69.452   1.1041   67.975   1.5203 1.477226 1.878865 
1 1 1    6   44   18 o   56.655   0.8987  3120.64   94.766  3093.73  118.059  3169.39  158.900   56.353   1.0792   56.956   1.4372 -0.6033554 1.797301 
1 1 1    6   44   19 o   26.095   1.3823  695.644   65.805  755.456   82.480  590.894  109.151   27.770   1.5300   24.419   2.3027 3.351652 2.764681 
1 1 1    6   44   20 o   27.210   1.2615  733.500   64.659  743.416   82.421  717.631  104.267   27.506   1.5436   26.914   1.9957 0.5915184 2.523020 
1 1 1    6   44   21 o   19.492   1.7713  376.481   65.614  351.962   83.534  415.975  106.020   18.737   2.2967   20.248   2.6974 -1.510798 3.542665 
1 1 1    6   44   22 o   49.069   0.9414  2354.13   87.004  2314.44  110.014  2420.41  142.158   48.593   1.1663   49.546   1.4781 -0.9534302 1.882808 
1 1 1    6   44   23 o   18.724   1.8416  359.837   66.586  354.830   89.521  366.036   99.621   18.628   2.4756   18.819   2.7271 -0.1901608 3.683149 
1 1 1    6   44   24 o   7.8150   2.4691 -15.9249   76.190  -2.0886  100.280 -34.8185  117.181   7.7965   3.4281   7.8334   3.5545 -0.3690434E-01 4.938246 
1 1 1    6   44   25 o   7.8371   2.4377 -10.0802   74.916   48.584  101.694 -79.6997  110.784   8.7557   3.6360   6.9184   3.2481 1.837255 4.875499 
1 1 1    6   45    0 o   15.511   1.7842  184.211   44.822  145.169   49.758  352.220  103.221   12.022   2.2138   19.000   2.7987 -6.978097 3.568407 
1 1 1    6   45    1 o   93.601   0.9414  8519.25  149.480  8525.07  173.454  8502.47  294.670   93.691   0.9537   93.512   1.6233 0.1790314 1.882753 
1 1 1    6   45    2 o   48.309   0.8433  2289.38   73.289  2327.16   88.752  2208.37  129.944   48.951   0.9340   47.668   1.4043 1.283855 1.686565 
1 1 1    6   45    3 o   63.425   0.8484  3959.07   97.754  4057.15  119.657  3762.25  169.502   64.633   0.9537   62.216   1.4035 2.416565 1.696860 
1 1 1    6   45    4 o   35.135   4.2992  1156.51   74.568  1153.15   75.183  1359.62  584.146   34.453   1.1242   35.818   8.5247 -1.364918 8.598493 
1 1 1    6   45    5 o   23.825   1.3661  567.138   57.633  590.214   69.416  515.937  103.399   24.640   1.4513   23.009   2.3150 1.630838 2.732294 
1 1 1    6   45    6 o   68.695   0.8740  4637.03  110.078  4747.00  135.913  4427.35  187.673   69.907   1.0016   67.484   1.4326 2.422813 1.748023 
1 1 1    6   45    7 o   67.884   0.8802  4450.47  108.040  4401.84  130.495  4556.44  192.639   67.315   0.9987   68.454   1.4497 -1.138924 1.760392 
1 1 1    6   45    8 o   30.374   1.0968  861.218   62.073  778.015   76.187  1025.50  107.055   28.287   1.3875   32.461   1.6989 -4.174301 2.193520 
1 1 1    6   45    9 o  112.068   1.1508 12293.15  238.006 12460.64  295.130 11981.61  402.507  113.211   1.3430  110.926   1.8693 2.284668 2.301680 
1 1 1    6   45   10 o   26.936   1.3188  723.317   63.859  752.969   77.829  662.227  111.712   27.821   1.4411   26.051   2.2091 1.770235 2.637597 
1 1 1    6   45   11 o   50.164   0.8794  2399.48   81.495  2299.85   99.871  2598.02  140.986   48.648   1.0576   51.680   1.4054 -3.032825 1.758827 
1 1 1    6   45   12 o   42.545   0.9433  1782.96   75.570  1860.30   97.032  1663.72  120.479   43.745   1.1427   41.346   1.5011 2.399548 1.886540 
1 1 1    6   45   13 o   34.125   1.0702  1125.88   69.254  1098.14   88.395  1169.98  111.441   33.595   1.3555   34.655   1.6566 -1.060188 2.140475 
1 1 1    6   45   14 o   28.328   1.2290  791.792   65.986  828.764   85.766  738.159  103.298   29.165   1.5149   27.491   1.9357 1.673817 2.458009 
1 1 1    6   45   15 o   70.510   0.9365  4872.13  122.400  4943.33  152.607  4743.73  204.941   71.276   1.1030   69.744   1.5138 1.531860 1.872983 
1 1 1    6   45   16 o   16.432   2.1465  285.030   63.679  319.189   80.886  229.348  103.274   18.016   2.3129   14.848   3.6166 3.168289 4.292926 
1 1 1    6   45   17 o   21.045   1.6812  438.642   65.624  442.202   81.797  432.212  109.931   21.219   1.9859   20.872   2.7133 0.3472347 3.362390 
1 1 1    6   45   18 o   13.522   2.3224  204.388   62.541  255.597   77.643  109.773  105.538   16.052   2.4918   10.993   3.9199 5.058815 4.644870 
1 1 1    6   45   19 o   15.458   2.1362  213.803   62.674   95.878   77.242  441.060  107.228   9.9398   3.3644   20.977   2.6334 -11.03676 4.272422 
1 1 1    6   45   20 o   24.219   1.3448  577.899   62.847  550.224   83.668  613.730   95.202   23.577   1.8281   24.861   1.9727 -1.283741 2.689567 
1 1 1    6   45   21 o   37.832   1.0639  1418.98   75.103  1445.19   94.571  1374.23  123.578   38.387   1.2691   37.276   1.7078 1.110558 2.127760 
1 1 1    6   45   22 o   11.858   2.3315  103.391   67.771 -24.2803   86.404  307.514  109.253   6.9550   3.1127   16.761   3.4720 -9.806434 4.662988 
1 1 1    6   45   23 o   17.940   2.1428  357.224   69.720  428.036   92.980  266.269  105.377   20.482   2.3386   15.399   3.5912 5.082803 4.285539 
1 1 1    6   45   24 o   48.691   0.9991  2330.14   93.028  2224.53  120.431  2486.39  146.485   47.413   1.3085   49.968   1.5102 -2.554359 1.998226 
1 1 1    6   46    0 o   55.789   0.8021  3029.45   79.597  3038.08   95.200  3009.39  145.097   55.932   0.8768   55.646   1.3432 0.2856483 1.604102 
1 1 1    6   46    1 o   28.142   1.0745  760.264   45.460  754.704   50.231  785.435  106.875   27.876   0.9283   28.408   1.9381 -0.5317440 2.148921 
1 1 1    6   46    2 o   63.447   0.7722  3933.70   82.379  3957.07   95.278  3864.50  163.961   63.837   0.7689   63.058   1.3395 0.7794533 1.544469 
1 1 1    6   46    3 o   26.057   1.4503  657.847   73.165  614.813   99.234  709.102  108.300   25.129   2.0344   26.985   2.0674 -1.856781 2.900514 
1 1 1    6   46    4 o   45.906   0.8519  2028.66   71.937  1989.38   88.163  2106.92  124.434   45.255   1.0036   46.556   1.3769 -1.301338 1.703801 
1 1 1    6   46    5 o   87.086   0.9948  7344.33  157.309  7292.21  190.900  7454.60  277.671   86.632   1.1352   87.540   1.6340 -0.9084091 1.989640 
1 1 1    6   46    6 o  116.745   1.1697 13134.87  250.245 12885.05  305.516 13644.16  436.220  115.121   1.3671  118.369   1.8985 -3.248535 2.339497 
1 1 1    6   46    7 o   68.259   0.8969  4568.30  111.739  4647.16  137.111  4412.37  192.809   69.162   1.0213   67.356   1.4746 1.805191 1.793747 
1 1 1    6   46    8 f   53.684   0.8432  2827.90   84.192  2898.77  105.689  2704.84  139.275   54.624   0.9967   52.744   1.3603 1.880322 1.686394 
1 1 1    6   46    9 o   48.393   0.9063  2242.91   80.956  2170.37   99.310  2386.60  139.772   47.257   1.0826   49.529   1.4538 -2.272240 1.812566 
1 1 1    6   46   10 o   91.961   1.0317  8265.18  174.596  8347.56  215.632  8108.35  297.515   92.665   1.1988   91.257   1.6795 1.407501 2.063419 
1 1 1    6   46   11 f   59.106   1.0346  3391.70  118.326  3492.38  175.512  3307.82  160.210   59.903   1.5094   58.308   1.4155 1.594730 2.069222 
1 1 1    6   46   12 f   65.353   0.9176  4170.52  110.392  4205.13  136.325  4104.61  188.142   65.772   1.0677   64.934   1.4926 0.8378220 1.835196 
1 1 1    6   46   13 o   49.530   0.8913  2377.16   82.998  2347.71  104.719  2426.90  136.114   49.134   1.0979   49.925   1.4045 -0.7911301 1.782696 
1 1 1    6   46   14 o   19.776   1.7318  386.733   65.373  399.677   85.891  368.909  100.790   20.195   2.1910   19.356   2.6825 0.8390903 3.463531 
1 1 1    6   46   15 o   27.220   1.3071  744.416   66.309  807.659   85.050  646.385  105.888   28.769   1.5229   25.671   2.1249 3.097439 2.614260 
1 1 1    6   46   16 o   37.729   1.0351  1384.60   72.325  1372.02   89.548  1408.21  122.661   37.517   1.2296   37.941   1.6654 -0.4240494 2.070161 
1 1 1    6   46   17 o   12.024   2.3329  162.695   61.972  224.638   75.717   36.990  107.863   14.812   2.7342   9.2367   3.7807 5.574814 4.665800 
1 1 1    6   46   18 o   45.829   0.9168  2025.39   78.659  1952.69   98.150  2155.92  131.514   44.734   1.1303   46.925   1.4438 -2.191055 1.833590 
1 1 1    6   46   19 o   34.635   1.0700  1171.76   69.345  1153.23   86.869  1204.30  115.131   34.314   1.3042   34.957   1.6967 -0.6425171 2.139978 
1 1 1    6   46   20 o   30.290   1.0928  905.732   63.344  916.182   83.192  891.317   97.713   30.537   1.4034   30.042   1.6755 0.4946060 2.185651 
1 1 1    6   46   21 o   11.081   2.2986  127.965   66.053  226.078   83.269 -38.5513  108.480   14.543   3.0471   7.6199   3.4423 6.922994 4.597215 
1 1 1    6   46   22 o   47.872   0.9958  2239.17   88.949  2179.25  110.758  2348.02  149.278   47.084   1.2118   48.659   1.5804 -1.574368 1.991524 
1 1 1    6   46   23 o   34.500   1.2009  1194.86   78.267  1215.09  100.394  1163.51  124.971   34.994   1.4779   34.006   1.8931 0.9877815 2.401712 
1 1 1    6   46   24 o   9.4465   2.4686   45.311   71.386 -76.6899   98.292  181.486  103.845   6.4899   3.0510   12.403   3.8817 -5.913096 4.937174 
1 1 1    6   47    0 o   48.008   0.8313  2245.18   68.873  2252.04   80.736  2226.83  131.988   48.155   0.8637   47.861   1.4207 0.2943459 1.662599 
1 1 1    6   47    1 o   38.518   0.8094  1420.14   51.310  1401.67   58.477  1481.93  106.960   37.992   0.7929   39.044   1.4113 -1.051304 1.618756 
1 1 1    6   47    2 f   11.503   2.3051  120.517   45.403  113.168   50.525  151.347  103.489   10.560   2.5029   12.446   3.8717 -1.885396 4.610278 
1 1 1    6   47    3 o   89.710   0.9902  7855.02  163.497  7921.83  201.879  7727.67  278.717   90.291   1.1518   89.129   1.6109 1.162224 1.980351 
1 1 1    6   47    4 o   48.836   0.8880  2313.22   78.337  2304.64   94.700  2331.81  139.415   48.706   1.0016   48.967   1.4667 -0.2604866 1.776081 
1 1 1    6   47    5 o   77.466   0.9298  5783.16  131.726  5685.37  160.574  5984.40  230.344   76.493   1.0814   78.438   1.5128 -1.944786 1.859576 
1 1 1    6   47    6 o   76.855   0.9395  5737.46  131.646  5728.12  160.581  5756.61  229.896   76.781   1.0774   76.929   1.5395 -0.1478348 1.879034 
1 1 1    6   47    7 o   60.677   0.8884  3639.40   99.602  3788.67  124.619  3375.39  165.730   62.445   1.0281   58.909   1.4493 3.535057 1.776887 
1 1 1    6   47    8 o   88.589   0.9995  7636.39  162.754  7640.58  200.266  7628.23  279.310   88.657   1.1637   88.521   1.6255 0.1359100 1.999052 
1 1 1    6   47    9 o   60.330   0.8922  3557.82   99.091  3599.44  122.482  3478.96  168.589   60.861   1.0367   59.799   1.4523 1.061657 1.784400 
1 1 1    6   47   10 o   47.027   0.9269  2129.30   80.740  2080.50   99.650  2222.55  137.757   46.264   1.1096   47.789   1.4850 -1.525257 1.853740 
1 1 1    6   47   11 o   63.421   0.8942  3930.37  105.523  3977.32  132.063  3847.47  175.494   63.967   1.0636   62.875   1.4379 1.091766 1.788478 
1 1 1    6   47   12 f   11.595   2.4805  139.561   64.240  185.374   78.899   49.463  110.647   13.458   3.0859   9.7314   3.8843 3.726496 4.960912 
1 1 1    6   47   13 o   34.312   1.0795  1143.91   69.413  1132.84   87.241  1163.02  114.589   34.106   1.3177   34.518   1.7102 -0.4115715 2.158941 
1 1 1    6   47   14 o   52.664   0.9099  2698.52   88.929  2690.24  110.533  2713.72  149.743   52.578   1.0830   52.750   1.4624 -0.1718788 1.819713 
1 1 1    6   47   15 o   42.624   0.9595  1786.36   76.024  1823.28   95.272  1721.65  126.137   43.267   1.1343   41.982   1.5478 1.285515 1.918972 
1 1 1    6   47   16 o   18.749   1.8044  340.314   62.407  323.826   76.304  373.628  108.459   18.131   2.1680   19.366   2.8851 -1.235083 3.608842 
1 1 1    6   47   17 o   10.067   2.5542   85.827   61.252   71.807   76.045  111.724  103.355   9.1465   3.3191   10.987   3.8832 -1.840206 5.108429 
1 1 1    6   47   18 o   24.786   1.3807  588.539   63.750  544.149   78.481  674.640  109.303   23.506   1.7200   26.065   2.1603 -2.558729 2.761350 
1 1 1    6   47   19 f   20.401   1.6510  413.210   63.526  400.054   80.291  435.228  103.875   20.043   2.0636   20.759   2.5777 -0.7156925 3.302036 
1 1 1    6   47   20 o   29.533   1.1830  868.327   65.959  889.949   84.664  834.938  105.209   30.071   1.4504   28.995   1.8692 1.076008 2.365921 
1 1 1    6   47   21 o   24.221   1.5046  572.757   69.519  498.963   88.819  689.463  111.697   22.296   2.0521   26.145   2.2009 -3.848251 3.009173 
1 1 1    6   47   22 o   17.640   2.2311  332.334   72.828  325.043   93.181  343.780  116.748   17.700   2.7120   17.581   3.5433 0.1188393 4.462111 
1 1 1    6   47   23 o   16.354   2.4331  300.866   73.508  296.451   94.672  307.569  116.645   16.421   3.0833   16.288   3.7647 0.1326828 4.866161 
1 1 1    6   48    0 f   75.207   0.9072  5500.91  122.885  5505.86  148.360  5490.09  219.321   75.282   1.0152   75.132   1.5038 0.1502457 1.814420 
1 1 1    6   48    1 o   42.787   0.8868  1782.31   65.054  1785.51   75.946  1773.48  126.068   42.874   0.9125   42.700   1.5209 0.1739578 1.773675 
1 1 1    6   48    2 o   73.779   0.8639  5280.73  105.315  5271.83  120.573  5309.38  216.294   73.675   0.8431   73.883   1.5081 -0.2078857 1.727778 
1 1 1    6   48    3 o   53.465   0.9891  2776.35  102.572  2705.54  141.661  2854.39  148.713   52.750   1.3834   54.180   1.4140 -1.429489 1.978208 
1 1 1    6   48    4 o  130.894   1.2795 16628.81  308.384 16519.99  379.538 16840.23  529.025  130.328   1.5002  131.461   2.0731 -1.133240 2.558960 
1 1 1    6   48    5 o   36.377   1.0036  1317.41   67.046  1389.45   83.678  1188.23  112.055   37.812   1.1400   34.943   1.6520 2.869354 2.007182 
1 1 1    6   48    6 o   23.205   1.4704  524.698   60.970  524.037   73.115  526.205  110.468   23.203   1.6233   23.208   2.4521 -0.5102158E-02 2.940742 
1 1 1    6   48    7 o   30.124   1.1576  902.194   63.886  944.438   79.354  824.380  107.700   31.164   1.3118   29.084   1.9076 2.079435 2.315118 
1 1 1    6   48    8 o   33.888   1.0809  1107.83   69.143  1077.38   87.507  1158.45  112.811   33.283   1.3544   34.493   1.6848 -1.209999 2.161760 
1 1 1    6   48    9 o  124.399   1.2531 15120.37  290.629 15232.99  364.267 14923.13  482.085  125.106   1.4999  123.692   2.0078 1.413376 2.506195 
1 1 1    6   48   10 o   57.075   0.9127  3230.56   95.647  3372.30  118.964  2971.42  160.853   58.902   1.0404   55.248   1.4999 3.654682 1.825403 
1 1 1    6   48   11 o   58.291   0.8911  3295.85   95.783  3273.52  118.060  3338.87  163.840   58.026   1.0481   58.557   1.4414 -0.5318642 1.782165 
1 1 1    6   48   12 o   41.357   0.9680  1659.33   76.075  1633.87   97.701  1698.55  121.243   40.970   1.2285   41.744   1.4962 -0.7739868 1.935946 
1 1 1    6   48   13 o   20.300   1.9605  447.847   67.523  523.152   84.396  313.899  112.558   23.127   1.8799   17.473   3.4409 5.653843 3.920988 
1 1 1    6   48   14 o   26.797   1.3148  704.040   66.070  706.633   83.407  699.672  108.250   26.894   1.5977   26.699   2.0886 0.1946449 2.629624 
1 1 1    6   48   15 o   15.374   2.2692  229.149   63.608  184.191   78.721  313.714  107.965   13.325   3.1016   17.423   3.3133 -4.098544 4.538449 
1 1 1    6   48   16 o   9.3233   2.5354   53.046   62.423   28.630   76.994   99.878  106.632   7.9060   3.2103   10.741   3.9253 -2.834659 5.070888 
1 1 1    6   48   17 o   18.052   1.7785  316.897   61.296  280.416   78.475  373.983   98.165   16.775   2.4098   19.328   2.6163 -2.552868 3.557055 
1 1 1    6   48   18 o   32.798   1.0620  1041.87   66.337  981.964   84.898  1135.79  106.299   31.637   1.3824   33.960   1.6125 -2.322527 2.123955 
1 1 1    6   48   19 f   28.489   1.2328  815.897   65.412  854.295   82.876  752.456  106.527   29.475   1.4485   27.502   1.9954 1.972294 2.465687 
1 1 1    6   48   20 o   11.164   2.5705  125.174   62.678   99.514   79.334  167.792  102.241   9.9475   3.4094   12.381   3.8477 -2.433869 5.140940 
1 1 1    6   48   21 o   25.535   1.5303  704.874   70.133  853.983   90.943  486.078  110.164   29.335   1.5971   21.736   2.6109 7.598999 3.060655 
1 1 1    6   48   22 o   25.147   1.5587  649.448   73.738  667.248   94.351  621.513  118.196   25.753   1.8874   24.541   2.4811 1.211468 3.117342 
1 1 1    6   48   23 o   26.402   1.5573  701.829   78.942  614.922  102.875  826.295  123.114   24.480   2.1649   28.324   2.2392 -3.843716 3.114572 
1 1 1    6   49    0 o   33.165   1.0411  1086.00   57.886  1102.57   67.021  1037.36  114.852   33.688   1.0249   32.643   1.8125 1.044960 2.082210 
1 1 1    6   49    1 o   28.806   1.2119  848.583   55.539  882.304   63.314  736.014  115.678   30.134   1.0824   27.477   2.1688 2.656477 2.423849 
1 1 1    6   49    2 o   37.138   0.8940  1302.55   54.000  1272.18   61.089  1411.10  115.494   36.191   0.8696   38.085   1.5622 -1.894100 1.787918 
1 1 1    6   49    3 o   31.325   1.0823  992.468   50.667  1015.26   56.331  895.919  115.945   32.329   0.8976   30.322   1.9698 2.006947 2.164694 
1 1 1    6   49    4 o   44.204   0.9129  1928.44   75.022  2005.45   94.528  1797.37  123.315   45.427   1.0720   42.981   1.4780 2.445740 1.825804 
1 1 1    6   49    5 o   52.613   0.8895  2733.04   85.885  2825.24  106.443  2561.02  145.386   53.921   1.0169   51.306   1.4598 2.615124 1.779093 
1 1 1    6   49    6 o   15.519   2.2573  233.591   63.143  207.327   77.472  285.563  108.979   14.297   2.8908   16.741   3.4676 -2.443460 4.514540 
1 1 1    6   49    7 o   12.963   2.3920  153.490   60.676   99.791   75.499  251.431  101.963   10.237   3.3222   15.689   3.4425 -5.452233 4.784089 
1 1 1    6   49    8 o   41.861   0.9534  1699.64   73.778  1688.21   91.194  1721.28  125.520   41.673   1.1273   42.050   1.5377 -0.3773232 1.906708 
1 1 1    6   49    9 o   45.388   0.9454  1994.74   78.615  1975.66   96.168  2033.19  136.492   45.080   1.0990   45.695   1.5388 -0.6156845 1.890893 
1 1 1    6   49   10 o  103.619   1.1594 10481.71  220.379 10515.75  270.841 10415.03  379.111  103.941   1.3423  103.298   1.8906 0.6430206 2.318710 
1 1 1    6   49   11 o   19.197   1.7417  367.900   61.933  383.719   77.810  340.551  102.309   19.806   2.0238   18.589   2.8352 1.216749 3.483460 
1 1 1    6   49   12 f   32.445   1.1189  1049.42   67.945  1122.98   87.201  935.732  108.400   33.950   1.3232   30.940   1.8048 3.009939 2.237898 
1 1 1    6   49   13 o   35.166   1.0565  1186.64   69.663  1132.06   86.937  1284.55  116.442   34.078   1.3142   36.255   1.6545 -2.176781 2.112975 
1 1 1    6   49   14 o   32.977   1.1379  1053.77   69.734  1030.18   86.429  1097.78  118.036   32.488   1.3705   33.466   1.8169 -0.9784126 2.275847 
1 1 1    6   49   15 o   12.507   2.5518  164.658   64.570  178.037   80.710  140.869  107.622   13.066   3.2062   11.948   3.9708 1.118007 5.103599 
1 1 1    6   49   16 o   18.267   1.8335  322.508   63.178  291.217   79.000  378.033  105.233   17.118   2.3775   19.417   2.7919 -2.299353 3.667044 
1 1 1    6   49   17 o   28.449   1.2225  795.778   65.652  788.680   83.479  807.284  106.294   28.334   1.5178   28.565   1.9170 -0.2304039 2.445065 
1 1 1    6   49   18 o   6.9935   2.2148 -30.5752   60.586 -45.2482   77.857  -8.0502   96.465   6.2508   2.8597   7.7363   3.3829 -1.485465 4.429657 
1 1 1    6   49   19 o   14.016   2.4235  201.515   63.850  162.485   79.767  271.125  106.526   12.269   3.2842   15.764   3.5648 -3.494987 4.847028 
1 1 1    6   49   20 f   11.013   2.5929  130.491   65.379  150.440   82.502   96.815  107.191   11.728   3.4159   10.299   3.9018 1.429401 5.185802 
1 1 1    6   49   21 o   7.3585   2.2950 -81.4295   68.676 -183.2349   88.221   75.147  109.409   4.9987   2.4716   9.7183   3.8677 -4.719599 4.589956 
1 1 1    6   49   22 o   16.936   2.3174  330.746   71.792  379.546   92.620  257.299  113.628   19.105   2.4975   14.768   3.9043 4.336883 4.634775 
1 1 1    6   50    0 o   72.727   0.9305  5083.03  120.767  4992.47  144.078  5296.96  221.446   71.677   1.0355   73.777   1.5463 -2.099625 1.860961 
1 1 1    6   50    1 o   24.914   1.1670  591.680   52.741  570.102   63.523  639.560   94.625   24.211   1.3516   25.618   1.9028 -1.406773 2.334011 
1 1 1    6   50    2 o   55.579   0.8365  3023.25   75.471  3040.24   85.906  2965.80  157.996   55.948   0.7910   55.210   1.4742 0.7374229 1.673018 
1 1 1    6   50    3 o   27.802   1.1784  752.221   52.788  751.952   59.822  753.166  112.207   27.815   1.1079   27.789   2.0801 0.2569962E-01 2.356744 
1 1 1    6   50    4 o   45.689   0.9119  2021.70   77.215  2002.74   95.654  2057.17  130.822   45.395   1.0855   45.983   1.4656 -0.5879211 1.823818 
1 1 1    6   50    5 o   47.446   1.0791  2195.00   99.130  2371.07  139.929  2017.61  140.454   49.365   1.4602   45.527   1.5893 3.838211 2.158248 
1 1 1    6   50    6 o   38.772   0.9895  1410.25   70.645  1308.08   85.778  1625.66  124.552   36.679   1.2047   40.864   1.5701 -4.185486 1.979085 
1 1 1    6   50    7 o   38.261   1.0104  1398.89   71.714  1341.15   88.321  1510.61  122.862   37.136   1.2252   39.385   1.6070 -2.248856 2.020775 
1 1 1    6   50    8 o   33.659   1.0927  1113.99   66.938  1134.76   81.952  1072.34  116.023   34.156   1.2360   33.163   1.8023 0.9929008 2.185412 
1 1 1    6   50    9 o   26.029   1.3851  691.330   64.005  743.387   78.073  584.626  111.775   27.627   1.4558   24.432   2.3568 3.195591 2.770198 
1 1 1    6   50   10 o   9.1469   2.5027   41.315   63.195   5.7522   80.262   99.324  102.509   7.5362   3.1863   10.758   3.8603 -3.221305 5.005444 
1 1 1    6   50   11 o   12.873   2.4167  155.898   61.929  100.485   78.427  247.671  100.930   10.262   3.3887   15.485   3.4465 -5.222473 4.833387 
1 1 1    6   50   12 o   43.186   0.9526  1833.55   76.775  1875.80   96.756  1761.73  126.153   43.891   1.1356   42.480   1.5298 1.410816 1.905259 
1 1 1    6   50   13 o   35.839   1.0480  1232.00   69.730  1180.28   85.959  1331.53  119.242   34.789   1.2729   36.889   1.6652 -2.099892 2.095962 
1 1 1    6   50   14 f   25.737   1.3608  619.835   64.841  555.415   78.889  753.982  113.841   23.807   1.7070   27.666   2.1197 -3.859474 2.721622 
1 1 1    6   50   15 o   20.272   1.6855  383.311   63.783  323.718   78.160  502.111  110.356   18.085   2.2264   22.459   2.5312 -4.374701 3.371078 
1 1 1    6   50   16 o   24.627   1.3727  587.717   63.934  549.459   80.642  652.455  104.900   23.610   1.7595   25.643   2.1074 -2.032763 2.745347 
1 1 1    6   50   17 o   7.7052   2.2580   13.734   58.356   58.455   76.966 -46.7397   89.500   8.6441   3.2987   6.7663   3.0841 1.877876 4.515931 
1 1 1    6   50   18 o   34.662   1.0756  1179.07   69.507  1167.46   86.787  1199.84  116.073   34.495   1.2961   34.829   1.7168 -0.3339310 2.151129 
1 1 1    6   50   19 o   9.1481   2.4974   67.832   63.026   87.079   79.435   35.128  103.547   9.5191   3.4001   8.7772   3.6589 0.7418957 4.994807 
1 1 1    6   50   20 f   13.467   2.5724  203.435   67.431  204.496   84.861  201.619  111.067   13.637   3.2515   13.297   3.9870 0.3404264 5.144784 
1 1 1    6   50   21 o   23.148   1.5426  538.871   68.360  504.785   88.529  589.207  107.582   22.321   2.0432   23.975   2.3116 -1.653835 3.085138 
1 1 1    6   50   22 o   15.374   2.4516  275.839   72.253  312.126   93.995  223.430  112.960   17.114   2.8293   13.634   4.0045 3.480276 4.903150 
1 1 1    6   51    0 o   42.910   0.8891  1814.10   68.410  1854.37   82.757  1727.19  121.567   43.687   0.9759   42.133   1.4864 1.554237 1.778106 
1 1 1    6   51    1 o   31.149   1.1735  972.670   60.275  999.467   69.485  891.205  121.154   32.067   1.1163   30.230   2.0646 1.837643 2.347050 
1 1 1    6   51    2 o   28.656   1.1862  842.824   53.030  875.316   60.015  727.116  113.254   30.012   1.0301   27.299   2.1371 2.713018 2.372460 
1 1 1    6   51    3 o   47.379   0.8135  2192.26   65.772  2203.52   76.653  2160.82  128.073   47.628   0.8291   47.129   1.3999 0.4991798 1.627005 
1 1 1    6   51    4 o   69.366   0.9464  4674.77  119.645  4664.17  145.878  4696.57  209.128   69.272   1.0848   69.459   1.5510 -0.1878052 1.892760 
1 1 1    6   51    5 o   76.588   0.9691  5742.10  136.818  5821.44  169.455  5593.52  231.895   77.383   1.1281   75.794   1.5761 1.588837 1.938245 
1 1 1    6   51    6 o   16.356   1.9984  266.519   58.948  265.442   73.052  268.528   99.800   16.479   2.2837   16.233   3.2801 0.2462711 3.996754 
1 1 1    6   51    7 o   25.302   1.3479  605.591   63.795  557.980   78.907  695.447  108.400   23.925   1.6990   26.680   2.0931 -2.755011 2.695859 
1 1 1    6   51    8 o   9.9092   2.4452   86.881   60.791  125.017   74.532   11.088  105.073   11.137   3.2475   8.6810   3.6566 2.456511 4.890494 
1 1 1    6   51    9 o   44.495   0.9455  1934.93   77.615  1949.44   96.062  1907.66  131.724   44.761   1.1056   44.229   1.5342 0.5324020 1.891070 
1 1 1    6   51   10 o   40.635   0.9726  1621.00   73.654  1652.43   92.562  1566.76  121.612   41.200   1.1573   40.070   1.5635 1.130928 1.945242 
1 1 1    6   51   11 o   24.969   1.3725  584.039   65.050  471.033   82.585  768.745  105.582   21.926   1.9403   28.011   1.9418 -6.084679 2.745043 
1 1 1    6   51   12 o   32.876   1.1652  1046.23   68.376  1029.41   81.646  1085.72  125.124   32.488   1.2946   33.264   1.9378 -0.7765007 2.330446 
1 1 1    6   51   13 o   21.895   1.5429  441.775   62.920  369.854   76.854  587.980  109.576   19.389   2.0419   24.400   2.3134 -5.011242 3.085702 
1 1 1    6   51   14 o   56.509   0.9094  3059.93   94.158  2946.47  114.505  3296.87  165.469   54.976   1.0730   58.042   1.4686 -3.065514 1.818817 
1 1 1    6   51   15 o   12.051   2.4798  142.260   60.086  109.982   74.847  200.766  100.768   10.405   3.3007   13.696   3.7019 -3.291193 4.959663 
1 1 1    6   51   16 o   22.986   1.5373  559.378   63.629  645.234   80.803  419.234  103.235   25.588   1.6268   20.384   2.6090 5.203465 3.074601 
1 1 1    6   51   17 o   21.904   1.4687  476.472   61.572  467.623   80.312  489.090   95.898   21.704   1.9062   22.104   2.2349 -0.4005451 2.937455 
1 1 1    6   51   18 o   12.665   2.5508  163.110   63.980  126.811   79.255  231.018  108.404   10.918   3.3869   14.411   3.8152 -3.492414 5.101626 
1 1 1    6   51   19 f   14.317   2.3013  258.282   67.478  350.115   83.148   81.130  115.485   18.573   2.3062   10.060   3.9831 8.512984 4.602592 
1 1 1    6   51   20 o   17.669   2.1766  337.279   69.837  343.422   88.037  326.852  114.698   18.265   2.4830   17.072   3.5756 1.193428 4.353163 
1 1 1    6   51   21 o   22.441   1.6729  511.030   71.458  472.661   91.170  572.145  115.063   21.471   2.1874   23.412   2.5318 -1.940628 3.345886 
1 1 1    6   52    0 o   21.498   1.7124  498.375   57.098  536.512   65.270  374.050  117.847   23.481   1.4320   19.514   3.1110 3.966908 3.424755 
1 1 1    6   52    1 o   49.004   0.8755  2305.86   76.434  2262.59   91.050  2409.14  140.656   48.253   0.9721   49.755   1.4563 -1.501499 1.750937 
1 1 1    6   52    2 o   27.674   1.1629  766.304   52.514  784.618   60.205  708.045  107.381   28.411   1.0917   26.937   2.0536 1.473999 2.325737 
1 1 1    6   52    3 o   13.082   2.3386  137.290   51.783  103.996   58.231  263.141  113.214   10.155   2.8420   16.009   3.7149 -5.854035 4.677287 
1 1 1    6   52    4 f   81.669   0.9356  6367.70  126.014  6262.00  143.639  6720.88  262.555   80.276   0.9218   83.062   1.6284 -2.786186 1.871165 
1 1 1    6   52    5 o   42.004   0.9528  1668.54   75.257  1535.71   93.792  1908.65  126.099   39.734   1.2160   44.274   1.4672 -4.540398 1.905640 
1 1 1    6   52    6 o   22.161   1.4671  434.002   59.774  341.142   71.846  642.820  107.738   18.687   1.9806   25.636   2.1650 -6.948578 2.934290 
1 1 1    6   52    7 o   38.696   1.0198  1489.35   72.520  1560.63   90.397  1360.65  121.476   40.048   1.1628   37.343   1.6758 2.704815 2.039685 
1 1 1    6   52    8 o   45.581   0.9447  1996.18   79.760  1933.99   98.267  2116.26  136.545   44.579   1.1356   46.584   1.5100 -2.005501 1.889338 
1 1 1    6   52    9 f   35.186   1.0577  1201.10   69.180  1184.98   85.942  1230.76  116.593   34.877   1.2694   35.494   1.6922 -0.6170006 2.115393 
1 1 1    6   52   10 o   16.582   2.0947  295.358   61.762  341.162   78.254  219.693  100.577   18.637   2.1630   14.528   3.5877 4.109057 4.189316 
1 1 1    6   52   11 o   23.820   1.4694  547.856   64.074  528.978   77.916  587.290  112.613   23.244   1.7269   24.397   2.3779 -1.152849 2.938779 
1 1 1    6   52   12 o   28.963   1.2709  791.044   67.342  733.568   81.231  917.361  120.423   27.388   1.5279   30.538   2.0314 -3.150822 2.541895 
1 1 1    6   52   13 o   16.174   2.1665  261.227   64.182  226.492   81.242  318.899  104.684   14.799   2.9317   17.549   3.1906 -2.749907 4.333029 
1 1 1    6   52   14 o   12.496   2.3545  174.679   63.036  240.770   80.632   70.793  101.092   15.246   2.8286   9.7451   3.7649 5.501072 4.709065 
1 1 1    6   52   15 o   15.761   2.1236  255.310   61.084  238.505   77.216  283.418   99.859   15.161   2.7239   16.362   3.2586 -1.200894 4.247115 
1 1 1    6   52   16 o   17.648   2.0117  345.281   61.919  408.878   78.985  243.884   99.734   20.272   2.0072   15.024   3.4870 5.248410 4.023433 
1 1 1    6   52   17 o   12.082   2.4947  159.462   61.617  169.701   78.189  142.684  100.090   12.547   3.2002   11.617   3.8278 0.9294825 4.989312 
1 1 1    6   52   18 o   10.465   2.5684   86.852   66.082   25.778   83.180  191.359  108.808   7.8715   3.2802   13.059   3.9532 -5.187132 5.136878 
1 1 1    6   52   19 o   12.467   2.2579  181.158   67.378  281.774   85.027   11.342  110.463   16.505   2.6539   8.4295   3.6537 8.075160 4.515866 
1 1 1    6   52   20 o   28.738   1.3707  829.276   73.595  815.143   92.090  854.256  122.432   28.552   1.6615   28.924   2.1806 -0.3722534 2.741443 
1 1 1    6   53    0 o   33.805   1.0575  1144.60   61.396  1184.06   72.386  1043.41  115.902   34.900   1.0685   32.711   1.8253 2.188515 2.115015 
1 1 1    6   53    1 o   25.495   1.3281  604.565   59.470  568.192   69.527  703.718  114.794   24.157   1.4827   26.833   2.2038 -2.676134 2.656157 
1 1 1    6   53    2 o   33.634   1.0838  1100.20   56.547  1099.14   63.196  1104.49  126.644   33.628   0.9681   33.640   1.9394 -0.1122665E-01 2.167612 
1 1 1    6   53    3 o   56.567   0.8401  3077.62   78.286  3047.04   89.332  3178.85  162.531   56.000   0.8218   57.133   1.4655 -1.132427 1.680171 
1 1 1    6   53    4 o   37.358   0.9481  1382.95   58.959  1406.79   68.072  1311.35  117.959   38.044   0.9218   36.672   1.6571 1.372120 1.896173 
1 1 1    6   53    5 o   13.823   2.3697  182.498   61.009  144.479   75.166  255.902  104.442   11.885   3.1909   15.761   3.5044 -3.875892 4.739465 
1 1 1    6   53    6 o   13.194   2.3297  191.792   60.693  232.514   73.446  104.102  107.777   15.383   2.4596   11.006   3.9573 4.377699 4.659396 
1 1 1    6   53    7 o   40.016   1.0034  1575.22   72.638  1601.30   88.409  1521.04  127.426   40.563   1.1228   39.469   1.6632 1.093842 2.006709 
1 1 1    6   53    8 o   44.072   0.9492  1891.12   78.075  1885.56   97.733  1900.93  129.800   44.008   1.1441   44.135   1.5150 -0.1276855 1.898462 
1 1 1    6   53    9 o   11.842   2.4386  150.888   61.662  189.298   75.459   73.690  106.978   13.558   2.9509   10.127   3.8832 3.431313 4.877211 
1 1 1    6   53   10 o   37.901   1.0355  1431.46   71.778  1493.52   88.932  1315.48  121.576   39.147   1.1703   36.655   1.7086 2.492031 2.070999 
1 1 1    6   53   11 o   29.553   1.1874  846.830   66.371  818.303   84.186  893.682  107.888   28.929   1.4991   30.176   1.8418 -1.246693 2.374795 
1 1 1    6   53   12 o   27.910   1.2684  736.124   65.943  669.084   80.976  868.114  113.621   26.130   1.5964   29.690   1.9714 -3.559647 2.536758 
1 1 1    6   53   13 o   48.636   0.9615  2385.43   84.884  2533.14  105.019  2107.08  144.165   50.954   1.0618   46.318   1.6034 4.636379 1.923091 
1 1 1    6   53   14 o   34.087   1.0762  1125.17   69.981  1056.86   89.831  1230.64  111.613   32.821   1.4100   35.354   1.6263 -2.533150 2.152451 
1 1 1    6   53   15 o   8.2935   2.4382   22.325   63.584   2.3488   81.335   53.722  101.968   7.3404   3.1584   9.2467   3.7154 -1.906314 4.876489 
1 1 1    6   53   16 o   18.977   2.3391  364.598   82.470  446.984  137.161  317.949  103.210   20.662   3.4197   17.291   3.1925 3.370764 4.678275 
1 1 1    6   53   17 o   16.012   2.2694  302.392   66.458  381.972   84.676  174.740  107.244   19.455   2.2422   12.570   3.9464 6.884823 4.538898 
1 1 1    6   53   18 o   16.216   2.2986  289.378   68.525  306.500   86.835  261.114  111.567   17.257   2.5922   15.175   3.7968 2.082425 4.597293 
1 1 1    6   53   19 o   11.998   2.4820  141.095   67.458   50.507   87.935  270.644  105.158   8.5375   3.4433   15.458   3.5756 -6.920910 4.963978 
1 1 1    6   53   20 o   11.497   2.6605  154.684   71.200  191.662   91.249   97.126  113.842   12.870   3.5412   10.123   3.9716 2.746829 5.321074 
1 1 1    6   54    0 o   44.170   0.9447  1906.04   71.031  1913.19   82.651  1885.84  138.927   44.362   0.9598   43.978   1.6274 0.3844872 1.889325 
1 1 1    6   54    1 o   28.395   1.2196  733.865   59.817  677.560   68.993  904.294  120.035   26.379   1.3474   30.411   2.0333 -4.032640 2.439244 
1 1 1    6   54    2 o   40.173   0.8687  1550.44   59.158  1529.45   68.387  1612.82  117.916   39.667   0.8881   40.679   1.4933 -1.012039 1.737408 
1 1 1    6   54    3 o   36.599   0.8913  1287.71   56.466  1268.32   66.028  1340.48  108.940   36.118   0.9418   37.080   1.5135 -0.9621201 1.782596 
1 1 1    6   54    4 o   35.370   1.0105  1224.81   58.719  1229.68   67.164  1209.01  120.963   35.559   0.9730   35.180   1.7713 0.3796501 2.020956 
1 1 1    6   54    5 o   24.125   1.4611  544.525   63.938  502.657   76.440  642.050  116.664   22.683   1.7360   25.567   2.3506 -2.884052 2.922192 
1 1 1    6   54    6 o   41.823   7.0748  2000.05   95.893  1998.82   96.125  2253.66  1380.81   45.318   1.0927   38.328   14.107 6.989437 14.14967 
1 1 1    6   54    7 o   21.907   1.5160  443.737   62.129  374.389   76.383  579.319  106.803   19.540   2.0137   24.274   2.2666 -4.733795 3.031905 
1 1 1    6   54    8 o   24.617   1.4315  619.716   63.473  671.042   78.539  523.065  107.775   26.207   1.5439   23.028   2.4110 3.178951 2.862970 
1 1 1    6   54    9 o   32.428   1.1171  1001.46   67.591  936.413   83.506  1125.05  115.101   30.969   1.3891   33.886   1.7498 -2.917437 2.234117 
1 1 1    6   54   10 o   28.545   1.2232  753.517   63.544  678.014   75.940  929.839  116.049   26.333   1.4856   30.757   1.9437 -4.424490 2.446423 
1 1 1    6   54   11 o   30.424   1.2108  895.694   67.919  868.634   83.287  949.414  117.348   29.797   1.4399   31.051   1.9469 -1.253290 2.421502 
1 1 1    6   54   12 o   26.591   1.2364  702.001   62.113  723.952   79.951  668.584   98.648   27.166   1.5161   26.016   1.9534 1.150276 2.472717 
1 1 1    6   54   13 o   13.403   2.2756  206.629   61.257  264.419   76.221  101.216  102.943   16.251   2.4162   10.555   3.8569 5.695739 4.551248 
1 1 1    6   54   14 o   9.5036   2.5171   76.949   61.936   76.640   80.382   77.399   97.168   9.2890   3.4061   9.7182   3.7070 -0.4292135 5.034184 
1 1 1    6   54   15 o   20.995   1.6872  439.819   67.423  424.347   86.576  463.665  107.479   20.596   2.1654   21.394   2.5881 -0.7972603 3.374484 
1 1 1    6   54   16 o   10.336   2.4332   68.723   64.059 -16.9643   80.956  212.230  104.768   6.8722   3.0481   13.800   3.7934 -6.927584 4.866323 
1 1 1    6   54   17 o   34.243   1.1934  1177.80   76.248  1210.82   96.317  1122.37  124.795   35.015   1.4171   33.471   1.9207 1.543697 2.386894 
1 1 1    6   54   18 o   17.374   2.1665  309.032   69.979  258.522   87.875  396.592  115.699   15.420   3.0438   19.328   3.0837 -3.908301 4.332905 
1 1 1    6   54   19 o   30.625   1.2768  955.367   74.303  1006.15   97.442  884.815  114.852   31.739   1.5816   29.511   2.0049 2.227219 2.553599 
1 1 1    6   55    0 o   9.5524   2.2652   86.736   49.936  105.748   62.100   51.946   84.003   10.233   2.9588   8.8722   3.4307 1.360370 4.530378 
1 1 1    6   55    1 o   13.993   2.1154  204.057   53.652  217.779   65.591  176.314   93.268   14.898   2.2681   13.088   3.5715 1.810067 4.230834 
1 1 1    6   55    2 o   60.562   0.8581  3583.23   85.871  3594.24   98.439  3548.20  175.630   60.808   0.8340   60.315   1.5000 0.4922523 1.716281 
1 1 1    6   55    3 o   31.143   1.1036  938.570   54.289  932.874   60.985  960.322  119.172   30.966   1.0145   31.320   1.9601 -0.3535194 2.207134 
1 1 1    6   55    4 o   11.085   2.3637   79.914   51.103   37.946   58.026  224.993  107.886   7.4646   2.8605   14.705   3.7637 -7.240604 4.727344 
1 1 1    6   55    5 o   34.288   1.0220  1208.33   54.719  1254.65   61.952  1044.02  116.689   35.918   0.8885   32.658   1.8407 3.259941 2.043916 
1 1 1    6   55    6 f   50.461   0.8994  2511.26   85.169  2603.44  108.595  2363.94  137.278   51.709   1.0819   49.213   1.4370 2.495705 1.798738 
1 1 1    6   55    7 f   16.163   2.0274  262.319   59.921  257.502   75.232  270.678   99.098   16.150   2.3997   16.175   3.2686 -0.2459526E-01 4.054888 
1 1 1    6   55    8 o   26.672   1.3451  687.907   65.005  669.693   78.414  727.928  116.234   26.168   1.5437   27.176   2.2033 -1.007936 2.690269 
1 1 1    6   55    9 o   36.486   1.0824  1347.81   71.220  1438.16   87.747  1173.37  121.925   38.401   1.1771   34.572   1.8168 3.829323 2.164819 
1 1 1    6   55   10 o   13.159   2.4771  174.226   62.862  146.794   78.942  221.764  103.922   11.860   3.3054   14.458   3.6904 -2.597667 4.954282 
1 1 1    6   55   11 o   22.872   1.4132  514.820   61.094  506.278   77.722  528.632   98.833   22.671   1.7660   23.072   2.2067 -0.4006710 2.826399 
1 1 1    6   55   12 o   6.8353   2.1713 -31.4855   59.294 -33.4890   77.835 -28.7152   91.527   6.4836   2.9236   7.1870   3.2110 -0.7034001 4.342549 
1 1 1    6   55   13 o   8.0180   2.3693   21.794   60.223   16.303   76.869   30.520   96.905   7.4823   3.1383   8.5538   3.5505 -1.071465 4.738669 
1 1 1    6   55   14 o   35.363   1.0736  1229.07   70.505  1222.40   87.693  1241.25  118.570   35.303   1.2797   35.423   1.7243 -0.1204605 2.147281 
1 1 1    6   55   15 o   11.084   2.5161  132.708   65.818  179.960   82.957   52.430  108.129   12.861   3.3050   9.3076   3.7947 3.553488 5.032202 
1 1 1    6   55   16 o   27.515   1.3629  758.295   69.956  758.868   87.717  757.295  115.956   27.649   1.6344   27.382   2.1815 0.2661324 2.725833 
1 1 1    6   55   17 o   22.303   1.8721  544.635   73.455  603.778   90.493  430.398  125.766   24.522   1.9010   20.085   3.2258 4.437563 3.744264 
1 1 1    6   55   18 o   14.558   2.5502  229.686   70.230  182.875   88.052  311.533  116.431   12.674   3.4750   16.441   3.7334 -3.766418 5.100385 
1 1 1    6   56    0 o   61.426   0.9860  3670.80  117.565  3670.80  117.565   0.0000   0.0000   61.426   0.9860  ?   ?       ?      ? 
1 1 1    6   56    1 o   13.724   2.4259  160.876   57.739  123.585   65.990  282.666  119.255   10.986   3.0068   16.462   3.8077 -5.475835 4.851741 
1 1 1    6   56    2 o   15.048   2.1369  207.306   51.859  189.864   58.328  273.114  113.297   13.904   2.1611   16.192   3.6871 -2.288301 4.273727 
1 1 1    6   56    3 o   34.269   1.0262  1189.53   56.384  1225.81   64.310  1068.97  117.234   35.497   0.9333   33.041   1.8279 2.456459 2.052343 
1 1 1    6   56    4 o   42.960   0.8574  1747.91   62.448  1696.93   71.945  1903.66  125.759   41.767   0.8874   44.154   1.4673 -2.386635 1.714713 
1 1 1    6   56    5 o   42.960   0.8689  1817.88   62.525  1836.56   72.280  1762.37  124.628   43.452   0.8569   42.467   1.5118 0.9845619 1.737773 
1 1 1    6   56    6 o   16.753   1.9326  257.493   58.536  171.515   72.281  421.343   99.782   12.871   2.9553   20.635   2.4911 -7.763356 3.865126 
1 1 1    6   56    7 o   17.620   1.9096  297.580   63.225  267.510   78.529  352.987  106.599   16.436   2.4613   18.804   2.9204 -2.368052 3.819273 
1 1 1    6   56    8 o   40.998   1.0025  1622.20   73.809  1588.48   88.457  1699.48  133.914   40.361   1.1290   41.635   1.6569 -1.274681 2.005015 
1 1 1    6   56    9 o   21.176   1.9196  527.425   63.413  638.247   77.281  299.021  110.946   25.512   1.5605   16.840   3.5078 8.671946 3.839213 
1 1 1    6   56   10 o   41.738   0.9779  1734.91   75.008  1800.15   93.258  1615.37  126.231   42.935   1.1190   40.541   1.6040 2.393509 1.955742 
1 1 1    6   56   11 o   11.037   2.4237  128.791   61.544  176.408   78.568   53.178   99.007   12.885   3.1643   9.1885   3.6720 3.696208 4.847332 
1 1 1    6   56   12 o   16.877   1.8960  280.297   59.642  232.522   75.669  358.661   96.912   14.939   2.7092   18.816   2.6533 -3.876991 3.792052 
1 1 1    6   56   13 f   34.174   1.0548  1152.23   68.287  1161.39   87.724  1138.14  108.784   34.401   1.3137   33.947   1.6508 0.4539490 2.109700 
1 1 1    6   56   14 o   11.829   2.3979  117.831   66.021   15.576   84.540  277.682  105.701   7.7174   3.2669   15.940   3.5110 -8.222348 4.795756 
1 1 1    6   56   15 o   16.015   2.3148  308.657   67.450  382.404   84.181  176.404  112.731   19.447   2.2299   12.582   4.0571 6.864679 4.629509 
1 1 1    6   56   16 o   12.697   2.7125  179.138   71.182  164.531   91.130  201.996  114.000   12.134   3.6055   13.261   4.0535 -1.127280 5.424927 
1 1 1    6   56   17 o   28.723   1.4760  857.627   76.579  898.214   94.177  778.413  131.567   30.006   1.6169   27.441   2.4699 2.564333 2.952051 
1 1 1    6   56   18 f   22.174   1.8337  526.858   74.931  557.109   94.487  475.592  123.004   23.347   2.0848   21.001   3.0172 2.346304 3.667452 
1 1 1    6   57    0 o   20.698   1.6135  418.916   64.825  418.916   64.825   0.0000   0.0000   20.698   1.6135  ?   ?       ?      ? 
1 1 1    6   57    1 o   42.504   0.9178  1741.20   68.825  1712.63   81.461  1812.48  128.656   41.945   1.0005   43.064   1.5390 -1.119385 1.835644 
1 1 1    6   57    2 f   45.346   0.8184  1990.91   63.941  1975.94   74.699  2031.94  123.672   45.071   0.8538   45.621   1.3965 -0.5506325 1.636814 
1 1 1    6   57    3 o   50.292   0.8343  2452.57   69.526  2440.71   79.654  2490.51  142.477   50.094   0.8191   50.490   1.4537 -0.3958588 1.668589 
1 1 1    6   57    4 o   20.536   1.5401  421.833   51.673  427.487   59.149  403.612  106.184   20.916   1.4568   20.156   2.7139 0.7600803 3.080239 
1 1 1    6   57    5 o   30.315   1.0710  804.254   53.633  729.722   60.306  1086.24  117.301   27.360   1.1355   33.270   1.8163 -5.909395 2.142014 
1 1 1    6   57    6 o   40.558   1.0164  1609.10   73.794  1610.10   88.671  1606.85  133.095   40.637   1.1241   40.480   1.6938 0.1574478 2.032849 
1 1 1    6   57    7 o   33.186   1.1841  1108.07   70.433  1156.60   85.752  1007.43  123.476   34.407   1.2839   31.965   1.9899 2.441906 2.368181 
1 1 1    6   57    8 o   11.693   2.1782  151.938   62.106  236.228   75.465 -24.9611  109.325   15.377   2.5281   8.0092   3.5478 7.368233 4.356393 
1 1 1    6   57    9 o   10.453   2.4986   79.076   61.369   24.512   75.216  187.725  106.138   7.6660   3.1497   13.240   3.8796 -5.574482 4.997168 
1 1 1    6   57   10 o   36.293   1.0382  1266.09   69.889  1203.02   85.940  1389.25  120.095   35.046   1.2633   37.541   1.6480 -2.495369 2.076465 
1 1 1    6   57   11 o   31.417   1.1460  963.059   67.578  933.172   84.753  1015.23  111.971   30.815   1.4169   32.019   1.8015 -1.204365 2.291912 
1 1 1    6   57   12 o   8.1354   2.3899   3.9397   62.996 -43.3768   80.199   80.165  101.792   6.3876   2.9146   9.8832   3.7884 -3.495623 4.779837 
1 1 1    6   57   13 o   14.418   2.3850  213.047   65.701  146.945   83.977  317.351  105.488   11.657   3.4605   17.179   3.2830 -5.522276 4.770000 
1 1 1    6   57   14 o   6.9724   2.2421 -40.9208   66.482  -1.9443   81.529 -118.2716  114.853   7.1782   3.1252   6.7665   3.2157 0.4116693 4.484105 
1 1 1    6   57   15 o   14.662   2.3023  272.963   69.796  382.733   87.193   77.175  116.448   19.383   2.3173   9.9407   3.9789 9.442813 4.604506 
1 1 1    6   57   16 f   28.241   1.4229  804.648   74.625  799.725   92.926  813.587  125.231   28.287   1.6923   28.196   2.2880 0.9112358E-01 2.845890 
1 1 1    6   57   17 o   15.478   2.5883  252.195   73.661  190.965   89.398  381.668  129.997   12.877   3.4895   18.079   3.8237 -5.202131 5.176568 
1 1 1    6   58    0 o   28.359   1.2587  784.633   69.292  784.633   69.292   0.0000   0.0000   28.359   1.2587  ?   ?       ?      ? 
1 1 1    6   58    1 f   24.490   1.3813  565.619   57.365  541.941   65.944  639.279  116.311   23.548   1.4426   25.431   2.3561 -1.882357 2.762664 
1 1 1    6   58    2 o   27.469   1.2300  744.499   53.748  748.022   60.715  731.736  115.555   27.701   1.1291   27.237   2.1856 0.4643192 2.459994 
1 1 1    6   58    3 o   40.863   0.9434  1646.93   62.681  1660.64   71.468  1601.25  130.477   41.306   0.8913   40.421   1.6629 0.8852997 1.886715 
1 1 1    6   58    4 o   18.130   1.8600  334.383   52.654  336.591   59.925  326.901  110.285   18.527   1.6663   17.733   3.3261 0.7938709 3.720096 
1 1 1    6   58    5 o   20.635   1.6146  445.691   51.933  464.049   58.876  381.342  110.230   21.780   1.3925   19.490   2.9136 2.290762 3.229291 
1 1 1    6   58    6 o   15.005   2.0512  197.543   49.437  171.808   55.316  299.673  110.196   13.167   2.1642   16.844   3.4852 -3.676912 4.102450 
1 1 1    6   58    7 o   10.109   2.3290   96.262   62.389  167.734   76.883 -41.5516  106.760   12.602   3.1512   7.6171   3.4303 4.984465 4.658045 
1 1 1    6   58    8 o   21.237   1.5913  435.424   63.054  401.012   77.758  501.501  107.750   20.112   1.9917   22.362   2.4823 -2.249666 3.182553 
1 1 1    6   58    9 o   42.100   0.9660  1725.74   74.832  1696.56   91.841  1783.37  129.076   41.647   1.1360   42.553   1.5626 -0.9059258 1.931920 
1 1 1    6   58   10 o   20.577   1.7711  452.308   65.143  511.046   81.610  349.157  108.148   22.705   1.8516   18.450   3.0197 4.255207 3.542188 
1 1 1    6   58   11 o   11.879   2.5784  149.717   62.621  150.112   75.936  148.877  110.712   11.832   3.2201   11.926   4.0279 -0.9427738E-01 5.156860 
1 1 1    6   58   12 o   33.717   1.1778  1118.73   73.610  1100.74   91.142  1152.49  124.830   33.429   1.4045   34.005   1.8911 -0.5755386 2.355603 
1 1 1    6   58   13 o   9.5788   2.6299   56.719   67.828   17.758   82.765  136.406  118.366   7.6620   3.2373   11.496   4.1456 -3.833740 5.259857 
1 1 1    6   58   14 o   24.202   1.6647  623.917   72.776  688.495   91.215  510.809  120.719   26.250   1.7901   22.154   2.8071 4.096804 3.329305 
1 1 1    6   58   15 o   22.475   1.7622  487.448   74.312  371.307   92.652  696.885  124.420   18.952   2.5184   25.998   2.4654 -7.045099 3.524303 
1 1 1    6   58   16 o   6.3947   2.1452 -102.4106   73.162 -44.4091   92.100 -201.6068  120.445   6.7174   3.0868   6.0719   2.9798 0.6454525 4.290364 
1 1 1    6   59    0 f   32.416   1.1590  1025.21   72.927  1025.21   72.927   0.0000   0.0000   32.416   1.1590  ?   ?       ?      ? 
1 1 1    6   59    1 o   29.003   1.0346  835.108   55.725  866.370   70.099  781.434   91.852   29.790   1.2122   28.217   1.6769 1.572731 2.069175 
1 1 1    6   59    2 o   10.648   2.2400   67.722   48.648   18.518   55.676  226.563  100.033   6.6744   2.7223   14.622   3.5580 -7.948031 4.479988 
1 1 1    6   59    3 o   15.933   1.7593  215.577   48.525  165.122   56.019  367.216   97.116   12.699   2.3594   19.167   2.6103 -6.467834 3.518551 
1 1 1    6   59    4 o   10.808   2.3580  108.013   48.531   94.711   55.747  149.648   98.628   9.6019   2.8111   12.014   3.7865 -2.412396 4.715957 
1 1 1    6   59    5 o   23.025   1.3718  545.330   52.210  566.839   60.526  482.793  103.208   24.066   1.2956   21.984   2.4184 2.081438 2.743623 
1 1 1    6   59    6 o   35.416   0.9568  1204.53   57.547  1178.90   66.493  1281.03  114.865   34.761   0.9854   36.071   1.6404 -1.309914 1.913651 
1 1 1    6   59    7 o   11.469   2.3765  145.003   61.061  197.287   76.838   55.401  100.589   13.667   2.9802   9.2709   3.7025 4.396309 4.752935 
1 1 1    6   59    8 o   21.704   1.5480  468.488   64.335  456.859   83.925  485.061  100.188   21.426   2.0178   21.981   2.3480 -0.5554886 3.095905 
1 1 1    6   59    9 o   14.592   2.3025  224.763   61.780  216.009   77.511  240.010  102.300   14.321   2.8879   14.863   3.5868 -0.5414104 4.604904 
1 1 1    6   59   10 o   7.7103   2.3516   6.5115   62.392   23.221   76.527 -26.6154  107.751   7.6160   3.1577   7.8047   3.4856 -0.1886826 4.703265 
1 1 1    6   59   11 o   37.948   1.0883  1426.67   75.549  1434.07   92.707  1412.05  130.356   38.210   1.2499   37.685   1.7819 0.5245705 2.176596 
1 1 1    6   59   12 o   9.7136   2.5552   46.333   67.717 -24.0028   84.049  176.457  114.320   6.8454   3.0663   12.582   4.0882 -5.736424 5.110373 
1 1 1    6   59   13 o   30.910   1.2770  967.697   72.304  995.729   89.491  914.994  122.706   31.723   1.4533   30.098   2.1002 1.624304 2.553981 
1 1 1    6   59   14 o   8.4026   2.4569   36.615   66.844   69.320   86.412 -12.1117  105.477   9.0027   3.4800   7.8024   3.4691 1.200243 4.913783 
1 1 1    6   59   15 f   7.5076   2.4050 -29.5827   73.005 -45.2213   92.466  -3.6995  118.957   6.7235   3.0908   8.2916   3.6855 -1.568077 4.809974 
1 1 1    6   60    0 o   39.166   1.0112  1496.30   76.879  1496.30   76.879   0.0000   0.0000   39.166   1.0112  ?   ?       ?      ? 
1 1 1    6   60    1 o   9.7687   3.1065   96.232   66.268   96.232   66.268   0.0000   0.0000   9.7687   3.1065  ?   ?       ?      ? 
1 1 1    6   60    2 o   10.787   2.4231   88.702   49.629   60.951   55.843  193.003  108.261   8.1608   2.8569   13.414   3.9147 -5.253327 4.846275 
1 1 1    6   60    3 f   35.739   1.0048  1226.54   58.135  1205.62   65.769  1301.30  124.324   35.158   0.9637   36.320   1.7634 -1.161564 2.009519 
1 1 1    6   60    4 o   8.9289   2.2006   76.370   50.504  111.740   57.611 -41.0394  104.964   10.332   2.8018   7.5262   3.3943 2.805534 4.401278 
1 1 1    6   60    5 o   23.894   1.3417  570.853   54.263  576.283   63.116  555.467  106.241   24.238   1.3415   23.549   2.3241 0.6890297 2.683453 
1 1 1    6   60    6 o   15.155   2.0334  239.653   50.622  241.037   58.440  235.495  101.309   15.579   1.9324   14.730   3.5784 0.8488235 4.066835 
1 1 1    6   60    7 o   20.116   1.5638  419.957   50.084  432.777   57.070  377.001  104.466   20.988   1.4008   19.244   2.7964 1.743605 3.127667 
1 1 1    6   60    8 o   18.272   2.0637  357.553   66.852  384.787   83.739  309.692  111.010   19.602   2.2007   16.941   3.4918 2.661356 4.127407 
1 1 1    6   60    9 o   22.878   1.5470  528.149   65.521  534.666   81.659  516.369  109.785   23.197   1.8135   22.560   2.5069 0.6373653 3.094091 
1 1 1    6   60   10 o   13.096   2.5957  187.000   66.086  181.393   81.018  198.148  114.240   12.905   3.2391   13.287   4.0570 -0.3819332 5.191432 
1 1 1    6   60   11 o   13.552   2.5369  205.052   65.633  208.028   80.600  199.193  113.076   13.852   3.0774   13.252   4.0340 0.5997076 5.073879 
1 1 1    6   60   12 o   20.273   1.8898  427.412   70.175  432.141   86.604  418.369  119.749   20.657   2.1598   19.889   3.1016 0.7670422 3.779506 
1 1 1    6   60   13 o   12.810   2.4987  147.732   70.436   44.021   87.630  337.054  118.397   8.3675   3.4143   17.253   3.6491 -8.885687 4.997384 
1 1 1    6   60   14 o   16.827   2.3883  317.513   73.120  322.189   90.893  308.937  123.095   17.503   2.6752   16.152   3.9572 1.350996 4.776636 
1 1 1    6   61    0 o   16.305   2.0679  264.403   65.449  264.403   65.449   0.0000   0.0000   16.305   2.0679  ?   ?       ?      ? 
1 1 1    6   61    1 o   9.5712   3.1375   91.842   67.279   91.842   67.279   0.0000   0.0000   9.5712   3.1375  ?   ?       ?      ? 
1 1 1    6   61    2 o   20.097   1.5972  362.342   52.786  329.620   59.302  487.162  115.822   18.275   1.6717   21.918   2.7222 -3.643522 3.194495 
1 1 1    6   61    3 o   11.150   2.4154   89.941   52.696   47.873   60.006  231.738  110.166   7.7632   2.9245   14.536   3.8449 -6.773308 4.830789 
1 1 1    6   61    4 o   7.4937   2.2132   22.748   51.241   48.064   57.738 -71.1192  111.179   7.6933   2.8745   7.2941   3.3662 0.3991866 4.426498 
1 1 1    6   61    5 o   6.8159   2.1620 -16.4734   53.782   2.5042   61.579 -77.4973  110.424   6.4554   2.7621   7.1763   3.3269 -0.7209196 4.324031 
1 1 1    6   61    6 o   10.838   2.4467   87.649   51.113   55.356   57.588  207.513  110.947   7.9477   2.8877   13.728   3.9505 -5.780730 4.893383 
1 1 1    6   61    7 o   17.411   1.8346  263.594   53.246  226.911   59.823  403.438  116.806   15.070   2.0450   19.752   3.0464 -4.682581 3.669133 
1 1 1    6   61    8 o   8.0699   2.4066   18.363   65.804   55.793   80.282 -58.2707  114.874   8.5906   3.3449   7.5492   3.4610 1.041390 4.813236 
1 1 1    6   61    9 o   6.5453   2.1534 -66.7271   65.815 -29.3924   81.001 -139.2572  112.901   6.6206   2.9842   6.4700   3.1054 0.1506815 4.306867 
1 1 1    6   61   10 o   25.891   1.4853  688.813   70.022  716.771   86.510  635.704  119.236   26.850   1.6598   24.932   2.4637 1.918053 2.970620 
1 1 1    6   61   11 o   15.467   2.4257  267.870   69.022  280.176   84.834  243.770  118.715   16.448   2.6571   14.487   4.0590 1.960099 4.851356 
1 1 1    6   61   12 o   28.366   1.4051  829.276   72.577  864.756   89.746  762.218  123.381   29.472   1.5687   27.260   2.3316 2.212568 2.810201 
1 1 1    6   61   13 o   8.9359   2.5546   59.693   69.507   88.293   85.914   5.5061  118.258   9.4543   3.5115   8.4175   3.7112 1.036811 5.109178 
1 1 1    6   62    0 o   23.505   1.5098  543.847   68.889  543.847   68.889   0.0000   0.0000   23.505   1.5098  ?   ?       ?      ? 
1 1 1    6   62    1 o   6.6852   2.8544   4.1379   65.515   4.1379   65.515   0.0000   0.0000   6.6852   2.8544  ?   ?       ?      ? 
1 1 1    6   62    2 o   16.405   2.0445  363.198   52.148  450.384   61.296  134.731   99.225   21.395   1.4759   11.415   3.8134 9.979284 4.089094 
1 1 1    6   62    3 o   13.798   2.1818  216.202   51.953  235.444   60.185  159.946  102.909   15.374   2.0167   12.222   3.8696 3.152232 4.363554 
1 1 1    6   62    4 o   11.169   2.3789  122.804   49.258  114.492   55.988  151.281  103.628   10.411   2.7350   11.928   3.8932 -1.517407 4.757832 
1 1 1    6   62    5 o   23.879   1.4494  641.538   55.105  718.789   64.638  436.040  105.424   27.067   1.2302   20.690   2.6249 6.376511 2.898858 
1 1 1    6   62    6 o   15.341   2.1422  248.421   52.813  248.504   60.106  248.141  110.618   15.771   1.9633   14.912   3.8081 0.8593187 4.284400 
1 1 1    6   62    7 f   14.692   2.2765  215.597   55.225  202.171   62.567  262.942  117.494   14.138   2.2798   15.247   3.9411 -1.109248 4.552965 
1 1 1    6   62    8 o   14.529   2.3424  228.519   54.068  229.675   60.119  223.630  123.658   15.112   2.0493   13.945   4.2127 1.167394 4.684757 
1 1 1    6   62    9 o   37.167   1.1726  1376.99   79.775  1382.55   97.957  1366.02  137.466   37.433   1.3481   36.901   1.9191 0.5321732 2.345266 
1 1 1    6   62   10 o   17.000   2.2890  315.234   70.124  319.174   86.820  307.840  118.935   17.585   2.5434   16.416   3.8064 1.169254 4.577919 
1 1 1    6   62   11 o   11.220   2.7190  124.781   70.080   83.095   87.234  200.650  117.686   9.3826   3.5278   13.057   4.1385 -3.674853 5.438040 
1 1 1    6   62   12 o   15.320   2.4914  257.516   71.619  204.557   91.213  342.660  115.654   13.335   3.4850   17.306   3.5614 -3.971391 4.982862 
1 1 1    6   63    0 o   21.408   1.6119  452.992   66.986  452.992   66.986   0.0000   0.0000   21.408   1.6119  ?   ?       ?      ? 
1 1 1    6   63    1 o   25.083   1.3734  618.907   66.872  618.907   66.872   0.0000   0.0000   25.083   1.3734  ?   ?       ?      ? 
1 1 1    6   63    2 o   15.408   2.0510  237.536   61.344  237.536   61.344   0.0000   0.0000   15.408   2.0510  ?   ?       ?      ? 
1 1 1    6   63    3 o   11.164   2.5246  120.824   53.231  112.030   59.718  154.838  117.439   10.266   2.8798   12.063   4.1475 -1.797251 5.049216 
1 1 1    6   63    4 o   14.077   2.3347  183.668   52.707  160.161   58.694  281.572  119.784   12.336   2.5358   15.817   3.9209 -3.480646 4.669432 
1 1 1    6   63    5 o   13.807   2.3605  192.207   56.133  173.965   64.693  247.779  112.916   12.802   2.6888   14.813   3.8805 -2.011129 4.721009 
1 1 1    6   63    6 o   8.9712   2.4777   45.214   53.461   24.620   60.409  119.608  114.815   6.9534   2.8358   10.989   4.0638 -4.035619 4.955431 
1 1 1    6   63    7 o   19.407   1.8322  410.665   55.500  429.601   64.040  353.531  111.236   20.804   1.5858   18.010   3.3035 2.794035 3.664386 
1 1 1    6   63    8 o   15.727   2.2482  294.069   56.357  317.554   64.296  216.193  117.081   17.797   1.8611   13.657   4.0932 4.139528 4.496443 
1 1 1    6   63    9 o   22.432   1.7688  521.947   72.681  527.378   89.666  511.542  124.106   22.837   2.0227   22.028   2.9024 0.8093472 3.537689 
1 1 1    6   63   10 o   13.838   2.6299  201.312   69.923  149.227   85.372  307.453  121.871   11.488   3.5071   16.189   3.9199 -4.701039 5.259800 
1 1 1    6   63   11 f   33.187   1.2579  1093.21   78.115  1048.45   97.412  1173.84  130.745   32.398   1.5489   33.975   1.9824 -1.577213 2.515777 
1 1 1    6   64    0 o   23.711   1.4922  555.566   68.679  555.566   68.679   0.0000   0.0000   23.711   1.4922  ?   ?       ?      ? 
1 1 1    6   64    1 o   26.016   1.3699  667.075   69.181  667.075   69.181   0.0000   0.0000   26.016   1.3699  ?   ?       ?      ? 
1 1 1    6   64    2 o   10.599   2.9347  120.690   62.445  120.690   62.445   0.0000   0.0000   10.599   2.9347  ?   ?       ?      ? 
1 1 1    6   64    3 o   12.716   2.3290  184.154   52.707  195.999   59.137  138.402  116.228   13.927   2.1874   11.505   4.1125 2.422056 4.658022 
1 1 1    6   64    4 o   13.600   2.3579  202.996   54.473  206.754   61.288  188.863  118.861   14.290   2.2094   12.911   4.1662 1.379099 4.715807 
1 1 1    6   64    5 o   20.194   1.7387  382.884   58.792  351.655   66.759  490.796  124.100   18.748   1.8344   21.640   2.9542 -2.891937 3.477424 
1 1 1    6   64    6 o   16.384   2.2610  305.306   57.925  317.832   65.696  261.551  122.783   17.791   1.9022   14.976   4.1025 2.815233 4.522016 
1 1 1    6   64    7 o   15.001   2.2363  207.190   55.437  168.385   62.836  343.467  117.754   12.526   2.6661   17.477   3.5910 -4.951165 4.472564 
1 1 1    6   64    8 o   18.955   1.8040  364.150   57.240  355.206   65.825  391.887  115.918   18.802   1.8035   19.109   3.1250 -0.3067703 3.608097 
1 1 1    6   64    9 o   14.340   2.5752  234.071   70.414  216.514   89.763  262.159  113.533   13.793   3.3791   14.887   3.8868 -1.093911 5.150338 
1 1 1    6   64   10 o   9.9345   2.5415   34.874   71.083 -67.2098   87.907  227.714  120.822   6.1961   2.9040   13.673   4.1717 -7.476710 5.082929 
1 1 1    6   65    0 o   15.913   2.1677  256.249   66.958  256.249   66.958   0.0000   0.0000   15.913   2.1677  ?   ?       ?      ? 
1 1 1    6   65    1 o   14.946   2.3450  227.737   68.033  227.737   68.033   0.0000   0.0000   14.946   2.3450  ?   ?       ?      ? 
1 1 1    6   65    2 o   7.7765   2.9769   48.641   62.805   48.641   62.805   0.0000   0.0000   7.7765   2.9769  ?   ?       ?      ? 
1 1 1    6   65    3 o   14.958   2.2106  318.748   55.157  376.114   61.900   97.639  121.527   19.437   1.6406   10.478   4.1056 8.958982 4.421253 
1 1 1    6   65    4 o   20.418   1.6735  421.421   57.214  415.969   65.941  438.029  115.081   20.425   1.6631   20.411   2.9045 0.1382637E-01 3.346916 
1 1 1    6   65    5 o   18.745   1.7425  345.644   56.764  325.705   66.103  401.631  110.768   17.990   1.8929   19.501   2.9261 -1.510977 3.485010 
1 1 1    6   65    6 o   7.8044   2.4057 -10.8577   56.868 -34.6682   64.086   77.341  123.341   5.6539   2.5895   9.9550   4.0551 -4.301070 4.811402 
1 1 1    6   65    7 o   8.1291   2.4380   31.275   57.677   30.860   65.311   32.746  122.937   7.2353   2.9495   9.0230   3.8827 -1.787683 4.875967 
1 1 1    6   65    8 o   19.495   1.8475  386.147   59.236  374.309   67.513  425.743  123.474   19.259   1.8059   19.731   3.2237 -0.4723816 3.695062 
1 1 1    6   66    0 o   8.0608   3.0860   54.077   67.493   54.077   67.493   0.0000   0.0000   8.0608   3.0860  ?   ?       ?      ? 
1 1 1    6   66    1 o   20.113   1.7269  404.756   67.423  404.756   67.423   0.0000   0.0000   20.113   1.7269  ?   ?       ?      ? 
1 1 1    6   66    2 o   16.949   1.8672  289.105   61.432  289.105   61.432   0.0000   0.0000   16.949   1.8672  ?   ?       ?      ? 
1 1 1    6   66    3 f   10.289   2.5080   67.681   54.998   25.600   62.171  219.130  117.945   6.9878   2.8664   13.591   4.1162 -6.602921 5.015922 
1 1 1    6   66    4 o   8.3804   2.1733   55.220   57.083  117.454   64.468 -170.6893  122.828   10.330   3.0227   6.4310   3.1235 3.898713 4.346628 
1 1 1    6   66    5 o   14.014   2.5246  241.441   71.549  285.779   87.371  151.175  124.666   16.442   2.7375   11.586   4.2428 4.855525 5.049265 
1 1 1    6   66    6 o   19.182   1.8496  374.409   59.077  362.542   67.695  412.317  120.989   18.939   1.8414   19.426   3.2084 -0.4873734 3.699285 
1 1 1    6   67    0 o   20.625   1.8609  429.810   74.503  429.810   74.503   0.0000   0.0000   20.625   1.8609  ?   ?       ?      ? 
1 1 1    6   67    1 o   17.497   1.8970  309.924   64.429  309.924   64.429   0.0000   0.0000   17.497   1.8970  ?   ?       ?      ? 
1 1 1    6   67    2 o   9.0071   3.0026   85.861   61.520   85.861   61.520   0.0000   0.0000   9.0071   3.0026  ?   ?       ?      ? 
1 1 1    6   67    3 o   7.6798   2.9822   47.852   63.682   47.852   63.682   0.0000   0.0000   7.6798   2.9822  ?   ?       ?      ? 
1 1 1    7    0    0 o   92.356   0.9961  8286.04  178.478  8272.75  253.487  8299.12  251.338   92.282   1.4158   92.430   1.4015 -0.000000 0.000000 
1 1 1    7    0    1 o   17.943   0.5816  313.808   20.135  327.322   29.397  301.864   27.636   18.307   0.8311   17.579   0.8139 -0.000000 0.000000 
1 1 1    7    0    2 o  133.680   1.3557 17356.08  351.588 17609.21  502.508 17113.33  492.097  134.635   1.9236  132.725   1.9109 -0.000000 0.000000 
1 1 1    7    0    3 o  135.943   1.2525 17932.52  327.401 17821.49  434.102 18078.98  498.598  135.461   1.6514  136.424   1.8836 -0.000000 0.000000 
1 1 1    7    0    4 o   28.208   0.5311  774.052   28.965  775.215   39.632  772.718   42.435   28.233   0.7242   28.183   0.7770 -0.000000 0.000000 
1 1 1    7    0    5 o   48.167   0.6430  2254.37   60.074  2275.71   84.949  2233.03   84.964   48.395   0.9050   47.938   0.9138 -0.000000 0.000000 
1 1 1    7    0    6 o  143.783   1.2259 20076.90  342.018 20367.91  484.382 19787.55  482.995  144.823   1.7236  142.743   1.7437 -0.000000 0.000000 
1 1 1    7    0    7 o  133.958   1.1985 17427.81  311.510 17494.88  438.591 17359.52  442.520  134.219   1.6840  133.698   1.7057 -0.000000 0.000000 
1 1 1    7    0    8 o   52.919   0.7241  2722.08   74.265  2853.53  105.328  2592.12  104.729   54.193   1.0020   51.646   1.0456 -0.000000 0.000000 
1 1 1    7    0    9 o   36.279   0.7315  1283.26   51.315  1349.53   71.679  1213.58   73.496   37.248   0.9929   35.311   1.0745 -0.000000 0.000000 
1 1 1    7    0   10 o  117.475   1.9328 13427.74  439.924 13915.31  620.196 12933.99  624.117  119.631   2.6737  115.319   2.7917 -0.000000 0.000000 
1 1 1    7    0   11 o  273.590   1.6648 72682.91  883.993 72616.37  1246.02 72750.34  1254.33  273.464   2.3476  273.716   2.3611 -0.000000 0.000000 
1 1 1    7    0   12 o  205.444   2.5562 40997.45  1019.05 40997.45  1019.05   0.0000   0.0000  205.444   2.5562  205.444   2.5562 -0.000000 0.000000 
1 1 1    7    0   13 o  145.191   1.3260 20472.56  373.533 20302.04  523.648 20649.20  532.987  144.576   1.8666  145.806   1.8838 -0.000000 0.000000 
1 1 1    7    0   14 o  153.299   1.6727 22719.60  475.152 23225.66  805.255 22449.28  588.529  154.577   2.6855  152.021   1.9951 -0.000000 0.000000 
1 1 1    7    0   15 o   24.911   1.3965  617.636   65.043  772.591   93.804  474.148   90.267   28.048   1.7382   21.773   2.1862 -0.000000 0.000000 
1 1 1    7    0   16 o  134.654   1.3946 17617.54  363.082 17621.90  536.278 17613.85  493.353  134.663   2.0526  134.645   1.8884 -0.000000 0.000000 
1 1 1    7    0   17 o  145.215   1.5491 20493.73  436.320 20341.10  609.120 20654.57  625.297  144.661   2.1702  145.768   2.2110 -0.000000 0.000000 
1 1 1    7    0   18 o  149.464   1.4091 21710.24  408.621 22189.79  580.735 21240.02  575.060  151.100   1.9807  147.827   2.0048 -0.000000 0.000000 
1 1 1    7    0   19 o   54.542   5.9911  3174.68  572.310  3507.55  777.157  2780.27  845.950   58.524   7.1222   50.559   9.6357 -0.000000 0.000000 
1 1 1    7    0   20 o   92.526   1.2194  8314.36  218.484  8506.16  319.795  8146.46  299.198   93.522   1.7629   91.529   1.6853 -0.000000 0.000000 
1 1 1    7    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   22 o   38.772   1.2474  1469.87   93.423  1467.25  133.380  1472.40  130.896   38.735   1.7825   38.809   1.7455 -0.000000 0.000000 
1 1 1    7    0   23 o   9.9147   3.5298  140.947   84.718  162.749  119.155  118.659  120.476   10.636   5.0587   9.1934   4.9241 -0.000000 0.000000 
1 1 1    7    0   24 o   72.656   1.1633  5140.71  163.836  5034.74  232.621  5245.02  230.789   71.909   1.6685   73.404   1.6215 -0.000000 0.000000 
1 1 1    7    0   25 o   5.6174   2.6997 -69.7913   89.543 -92.7806  129.793 -48.9121  123.693   5.4434   3.7447   5.7915   3.8900 -0.000000 0.000000 
1 1 1    7    0   26 o   21.398   2.4926  493.869   89.807  367.055  127.494  618.761  126.524   18.065   4.1784   24.732   2.7192 -0.000000 0.000000 
1 1 1    7    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   28 o   52.068   1.1761  2639.34  118.227  2946.16  173.338  2372.45  161.666   54.901   1.6297   49.235   1.6961 -0.000000 0.000000 
1 1 1    7    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   30 f   34.410   1.4943  1181.75   98.207  1212.95  132.315  1143.46  146.545   34.981   1.9627   33.840   2.2538 -0.000000 0.000000 
1 1 1    7    0   31 o   50.895   1.2307  2556.75  121.086  2702.11  170.769  2409.77  171.717   52.382   1.6834   49.408   1.7958 -0.000000 0.000000 
1 1 1    7    0   32 o   20.702   2.9155  490.402  103.996  506.204  148.617  475.239  145.575   21.101   4.0633   20.303   4.1823 -0.000000 0.000000 
1 1 1    7    1    0 o  133.120   0.9263 17199.40  239.330 16913.30  334.635 17498.99  342.428  131.987   1.3061  134.253   1.3140 -2.265610 1.852663 
1 1 1    7    1    1 o   48.933   0.4374  2324.01   41.541  2308.75   58.382  2339.67   59.121   48.770   0.6167   49.096   0.6203 -0.3254509 0.8747030 
1 1 1    7    1    2 o   12.033   0.5402  140.614   12.559  141.309   16.981  139.775   18.660   12.066   0.7250   12.000   0.8011 0.6579590E-01 1.080435 
1 1 1    7    1    3 o  328.638   1.5019 104891.10  958.088 105445.90  1360.39 104345.10  1349.55  329.500   2.1269  327.776   2.1210 1.723816 3.003732 
1 1 1    7    1    4 o  199.451   1.0889 38622.68  421.593 38811.64  597.910 38435.83  594.550  199.936   1.5406  198.966   1.5394 0.9702911 2.177848 
1 1 1    7    1    5 o   65.544   0.5516  4165.54   70.146  4305.68  101.300  4036.44   97.228   66.602   0.7835   64.486   0.7767 2.115952 1.103264 
1 1 1    7    1    6 o   75.208   0.6044  5488.44   88.217  5396.05  123.306  5585.31  126.262   74.560   0.8519   75.857   0.8575 -1.296288 1.208741 
1 1 1    7    1    7 o   91.321   0.6864  8094.66  121.672  8123.60  172.324  8065.89  171.817   91.484   0.9704   91.158   0.9710 0.3255692 1.372738 
1 1 1    7    1    8 o  130.254   0.8510 16467.85  215.154 16353.93  302.925 16583.83  305.642  129.800   1.2023  130.709   1.2046 -0.9091644 1.701903 
1 1 1    7    1    9 o  245.605   1.1196 58558.52  533.773 58561.78  755.166 58555.27  754.574  245.612   1.5839  245.598   1.5827 0.1362610E-01 2.239154 
1 1 1    7    1   10 o  229.903   1.1023 51310.10  491.917 51131.00  694.246 51490.68  697.115  229.500   1.5583  230.306   1.5593 -0.8057709 2.204522 
1 1 1    7    1   11 f  188.054   1.1203 34311.96  406.091 34496.36  612.475 34167.31  542.474  188.502   1.6738  187.606   1.4896 0.8964539 2.240654 
1 1 1    7    1   12 o  206.047   1.0796 41215.63  431.798 41255.50  611.042 41175.86  610.266  206.147   1.5270  205.948   1.5265 0.1990356 2.159129 
1 1 1    7    1   13 o   93.284   0.8731  8432.16  151.348  8394.56  188.293  8500.77  254.402   92.993   1.0431   93.575   1.4005 -0.5812531 1.746295 
1 1 1    7    1   14 o   46.358   0.6456  2083.09   58.034  1955.37   80.519  2221.18   83.719   44.881   0.9242   47.835   0.9016 -2.953518 1.291128 
1 1 1    7    1   15 o   91.937   0.7734  8192.96  137.513  8354.29  204.304  8059.33  185.936   92.763   1.1346   91.112   1.0513 1.650337 1.546773 
1 1 1    7    1   16 o   73.134   0.7115  5192.68  101.003  5101.01  142.685  5284.74  142.996   72.487   1.0140   73.781   0.9984 -1.294151 1.423074 
1 1 1    7    1   17 o  139.661   0.9761 18924.82  264.248 19278.69  385.603 18611.50  362.842  140.889   1.4099  138.433   1.3502 2.455521 1.952198 
1 1 1    7    1   18 o   81.466   0.7748  6444.75  122.527  6421.29  173.050  6468.33  173.510   81.317   1.0963   81.614   1.0952 -0.2973022 1.549612 
1 1 1    7    1   19 o  199.930   1.4194 38930.71  548.154 38265.26  812.977 39485.41  742.255  198.340   2.1116  201.520   1.8974 -3.179749 2.838837 
1 1 1    7    1   20 o   84.014   0.8103  6852.13  132.102  6623.93  184.452  7092.45  189.284   82.578   1.1507   85.450   1.1411 -2.871094 1.620570 
1 1 1    7    1   21 o   72.168   0.7696  5058.36  107.799  4947.56  151.630  5171.60  153.284   71.369   1.0945   72.967   1.0822 -1.598701 1.539167 
1 1 1    7    1   22 o   81.405   0.8310  6435.13  131.273  6577.98  188.561  6300.78  182.865   82.281   1.1806   80.529   1.1698 1.751602 1.661974 
1 1 1    7    1   23 o   22.823   1.3779  507.963   60.965  492.290   87.634  522.662   84.869   22.479   2.0083   23.167   1.8872 -0.6881371 2.755860 
1 1 1    7    1   24 o   37.786   1.2147  1433.27   83.235  1522.26  102.859  1264.43  141.673   39.563   1.3393   36.010   2.0267 3.552738 2.429304 
1 1 1    7    1   25 o   28.022   1.2280  765.274   66.775  743.137   94.535  787.317   94.335   27.615   1.7635   28.428   1.7095 -0.8124371 2.456069 
1 1 1    7    1   26 o   36.874   0.9759  1324.12   69.847  1350.69   99.559  1298.36   98.015   37.239   1.3773   36.510   1.3830 0.7289391 1.951815 
1 1 1    7    1   27 o   69.148   0.8119  4655.46  108.969  4550.37  153.132  4763.28  155.099   68.356   1.1540   69.940   1.1424 -1.583275 1.623856 
1 1 1    7    1   28 o   62.712   0.8062  3833.77   98.138  3855.68  138.754  3811.84  138.822   62.892   1.1365   62.531   1.1437 0.3602638 1.612354 
1 1 1    7    1   29 o   27.358   1.2549  737.745   66.611  707.868   93.613  768.386   94.803   26.791   1.8000   27.925   1.7489 -1.134140 2.509725 
1 1 1    7    1   30 o   31.176   1.1554  963.079   69.398  826.489   97.862  1101.26   98.429   28.907   1.7440   33.445   1.5161 -4.537281 2.310852 
1 1 1    7    1   31 o   23.460   1.4933  555.676   67.719  520.510   98.104  587.684   93.594   22.702   2.2261   24.217   1.9909 -1.515051 2.986549 
1 1 1    7    1   32 o   43.731   0.9750  1892.23   82.762  1861.21  116.884  1923.42  117.202   43.366   1.3885   44.097   1.3692 -0.7305069 1.950021 
1 1 1    7    2    0 f   15.099   0.4262  220.986   12.473  226.645   18.216  215.991   17.115   15.281   0.6141   14.917   0.5910 0.3634405 0.8523324 
1 1 1    7    2    1 o   23.266   0.3481  524.009   15.683  544.592   23.166  506.595   21.308   23.687   0.5038   22.846   0.4805 0.8412399 0.6961955 
1 1 1    7    2    2 o   91.866   0.7246  8203.71  128.868  8362.15  176.900  8024.54  188.111   92.813   0.9819   90.919   1.0658 1.894073 1.449169 
1 1 1    7    2    3 f  173.013   1.0541 29082.37  352.453 29278.33  477.309 28847.40  522.660  173.657   1.4159  172.369   1.5620 1.288116 2.108280 
1 1 1    7    2    4 o  122.182   0.8073 14495.89  191.234 14412.30  277.147 14571.85  264.209  121.845   1.1718  122.519   1.1109 -0.6737671 1.614662 
1 1 1    7    2    5 o  336.828   1.3889 110223.30  892.169 109823.50  1397.71 110498.20  1158.99  336.299   2.1410  337.356   1.7698 -1.056946 2.777820 
1 1 1    7    2    6 o  140.427   0.8888 19155.17  241.929 18886.56  350.418 19399.81  334.421  139.485   1.2942  141.369   1.2186 -1.883698 1.777626 
1 1 1    7    2    7 o   29.923   0.4755  869.359   27.608  879.354   38.602  858.894   39.501   30.099   0.6607   29.747   0.6841 0.3522663 0.9510173 
1 1 1    7    2    8 o  115.257   0.8158 12901.76  182.371 13088.68  253.714 12701.95  262.323  116.121   1.1256  114.393   1.1813 1.728821 1.631694 
1 1 1    7    2    9 o  142.509   0.8981 19712.37  248.422 19457.55  349.755 19971.80  352.909  141.580   1.2726  143.438   1.2675 -1.858765 1.796105 
1 1 1    7    2   10 o  125.483   0.9334 15283.97  223.138 15291.02  351.102 15279.20  289.013  125.506   1.4411  125.461   1.1867 0.4521942E-01 1.866850 
1 1 1    7    2   11 o  253.641   1.1493 62455.91  565.895 62474.95  800.758 62436.92  799.835  253.680   1.6261  253.602   1.6247 0.7717896E-01 2.298695 
1 1 1    7    2   12 o   91.054   0.7581  8049.66  133.948  7953.25  191.071  8142.84  187.833   90.517   1.0874   91.590   1.0565 -1.072823 1.516124 
1 1 1    7    2   13 o  137.649   1.0051 18439.66  265.022 18680.37  348.934 18111.50  407.422  138.717   1.2958  136.582   1.5367 2.134430 2.010123 
1 1 1    7    2   14 o   42.769   0.6678  1775.83   55.441  1793.38   78.119  1758.03   78.695   42.982   0.9363   42.556   0.9526 0.4258766 1.335700 
1 1 1    7    2   15 o   32.335   0.7833  1014.59   49.143  1030.50   70.777  999.786   68.288   32.579   1.1191   32.090   1.0962 0.4889984 1.566587 
1 1 1    7    2   16 o  121.668   0.9395 14372.19  221.460 14398.28  323.528 14349.18  303.787  121.770   1.3687  121.565   1.2873 0.2046738 1.878983 
1 1 1    7    2   17 o   66.434   0.6846  4287.38   88.086  4249.61  128.650  4320.71  120.859   66.158   1.0018   66.711   0.9333 -0.5526886 1.369146 
1 1 1    7    2   18 o   35.129   0.7427  1198.60   50.617  1148.43   71.419  1249.24   71.747   34.390   1.0698   35.868   1.0305 -1.478329 1.485408 
1 1 1    7    2   19 o   45.498   0.7019  2008.34   61.957  2064.28   89.453  1956.76   85.897   46.106   0.9995   44.890   0.9858 1.216599 1.403794 
1 1 1    7    2   20 o  126.823   1.1290 15634.51  277.939 15710.88  394.896 15559.55  391.260  127.130   1.6002  126.517   1.5931 0.6128922 2.258027 
1 1 1    7    2   21 o   91.467   0.8747  8125.11  155.267  8277.36  222.507  7980.62  216.767   92.302   1.2419   90.633   1.2321 1.668854 1.749355 
1 1 1    7    2   22 o   97.952   0.9271  9321.04  176.240  9114.66  246.458  9537.02  252.122   96.843   1.3110   99.062   1.3111 -2.218376 1.854126 
1 1 1    7    2   23 f   80.445   0.8334  6287.40  130.095  6349.62  187.070  6229.12  181.042   80.829   1.1923   80.061   1.1649 0.7682724 1.666887 
1 1 1    7    2   24 o   47.186   0.8418  2166.45   77.029  2107.77  110.473  2221.96  107.459   46.562   1.2223   47.810   1.1579 -1.248810 1.683617 
1 1 1    7    2   25 o   26.048   1.2901  657.671   65.026  733.863   95.841  592.679   88.517   27.440   1.7993   24.657   1.8494 2.783278 2.580234 
1 1 1    7    2   26 o   59.111   0.7948  3398.91   91.142  3413.84  131.295  3385.02  126.621   59.234   1.1419   58.988   1.1058 0.2460327 1.589535 
1 1 1    7    2   27 o   29.069   1.1749  838.089   65.305  706.343   95.319  954.634   89.651   26.863   1.8279   31.276   1.4767 -4.412165 2.349848 
1 1 1    7    2   28 o   69.021   0.9884  4631.87  125.749  4583.39  154.827  4725.85  215.549   68.563   1.1633   69.480   1.5982 -0.9175949 1.976710 
1 1 1    7    2   29 o   23.623   1.4496  552.364   65.804  661.686   95.551  453.740   90.755   25.878   1.9022   21.368   2.1880 4.509729 2.899232 
1 1 1    7    2   30 o   51.219   0.8559  2569.79   85.082  2559.20  121.296  2580.04  119.374   51.111   1.2226   51.328   1.1981 -0.2170486 1.711754 
1 1 1    7    2   31 o   24.568   1.4507  614.570   67.973  498.629   97.772  723.030   94.565   22.202   2.2686   26.935   1.8086 -4.732544 2.901314 
1 1 1    7    2   32 o   37.922   1.0405  1427.50   76.548  1394.44  109.299  1459.32  107.241   37.473   1.5025   38.371   1.4398 -0.8974342 2.081016 
1 1 1    7    3    0 o  113.598   0.8358 12528.08  184.305 12473.93  260.706 12582.18  260.587  113.353   1.1848  113.843   1.1792 -0.4909134 1.671609 
1 1 1    7    3    1 o   80.228   0.6427  6248.73  100.000  6263.39  138.682  6232.85  144.330   80.327   0.8894   80.130   0.9279 0.1965408 1.285303 
1 1 1    7    3    2 o   97.033   0.7285  9144.27  137.087  9250.45  190.430  9030.06  197.504   97.618   1.0049   96.448   1.0549 1.170601 1.456967 
1 1 1    7    3    3 o  325.542   1.6849 102761.60  1039.51 102108.10  1330.86 103784.10  1664.74  324.245   2.1144  326.839   2.6239 -2.593597 3.369825 
1 1 1    7    3    4 o  103.310   0.7349 10362.35  147.293 10303.86  211.489 10417.45  205.258  103.027   1.0575  103.593   1.0207 -0.5668640 1.469735 
1 1 1    7    3    5 o  158.439   0.9400 24378.11  288.411 24236.47  422.290 24501.94  394.841  158.007   1.3768  158.872   1.2803 -0.8650818 1.880089 
1 1 1    7    3    6 o  111.861   0.7730 12147.72  167.722 12099.60  241.625 12192.46  232.999  111.647   1.1149  112.075   1.0710 -0.4280319 1.545951 
1 1 1    7    3    7 o   86.295   0.6731  7228.09  112.713  7230.56  161.667  7225.77  157.227   86.309   0.9649   86.280   0.9388 0.2845001E-01 1.346240 
1 1 1    7    3    8 o  207.903   1.0467 41954.74  422.418 41422.31  594.494 42497.67  600.329  206.571   1.4826  209.235   1.4781 -2.664276 2.093473 
1 1 1    7    3    9 o  148.932   0.9896 21526.59  283.131 21565.58  432.854 21497.44  374.310  149.048   1.4961  148.816   1.2957 0.2325897 1.979178 
1 1 1    7    3   10 o  164.216   0.9659 26176.06  307.883 25889.63  433.639 26467.23  437.207  163.310   1.3679  165.122   1.3640 -1.811783 1.931745 
1 1 1    7    3   11 o  109.378   0.7925 11613.03  168.266 11610.62  238.857 11615.40  237.082  109.367   1.1251  109.390   1.1165 -0.2259064E-01 1.585054 
1 1 1    7    3   12 o  189.477   1.1132 34879.96  406.666 35084.04  545.224 34624.08  610.527  190.105   1.4775  188.849   1.6654 1.255447 2.226325 
1 1 1    7    3   13 o  127.593   0.8841 15802.56  218.944 15515.28  308.030 16095.90  311.263  126.421   1.2552  128.765   1.2453 -2.343979 1.768112 
1 1 1    7    3   14 o  118.708   0.8713 13687.34  200.609 13878.22  279.415 13484.27  288.196  119.563   1.2039  117.853   1.2597 1.710556 1.742504 
1 1 1    7    3   15 o  197.280   1.1918 37789.60  450.106 37737.96  589.422 37861.83  697.143  197.129   1.5403  197.431   1.8190 -0.3016663 2.383584 
1 1 1    7    3   16 o   42.778   0.6709  1782.71   55.494  1687.43   80.778  1867.86   76.368   41.691   0.9981   43.864   0.8969 -2.173328 1.341874 
1 1 1    7    3   17 o   92.497   0.8158  8308.14  146.080  8304.67  214.684  8311.14  199.344   92.478   1.1959   92.517   1.1100 -0.3918457E-01 1.631644 
1 1 1    7    3   18 o   31.337   0.8392  957.015   50.756  919.523   75.089  988.557   68.874   30.769   1.2572   31.906   1.1120 -1.136473 1.678428 
1 1 1    7    3   19 o   47.181   0.6959  2159.53   63.678  2209.54   92.360  2114.22   87.913   47.701   0.9974   46.661   0.9706 1.039684 1.391729 
1 1 1    7    3   20 o  105.948   0.9419 10900.64  193.615 11082.10  279.178 10732.48  268.747  106.796   1.3467  105.100   1.3173 1.695625 1.883804 
1 1 1    7    3   21 o   77.508   0.7969  5836.28  119.883  5749.07  169.824  5922.91  169.257   76.930   1.1372   78.086   1.1166 -1.155617 1.593764 
1 1 1    7    3   22 o   97.649   0.9257  9266.17  175.451  9316.29  250.470  9217.89  245.845   97.908   1.3179   97.391   1.3004 0.5167313 1.851445 
1 1 1    7    3   23 o   88.394   0.8764  7591.94  150.319  7678.98  216.197  7510.48  209.144   88.882   1.2531   87.905   1.2257 0.9777985 1.752818 
1 1 1    7    3   24 o   65.373   0.7954  4153.55  100.911  4167.11  144.290  4140.57  141.182   65.476   1.1352   65.269   1.1143 0.2070694 1.590733 
1 1 1    7    3   25 o   41.022   0.8956  1637.37   71.249  1550.23  100.469  1725.52  101.055   39.922   1.2965   42.122   1.2359 -2.200779 1.791152 
1 1 1    7    3   26 o   71.128   1.0065  4887.78  131.071  4806.61  159.977  5053.52  228.603   70.281   1.1726   71.975   1.6362 -1.693916 2.013009 
1 1 1    7    3   27 f   27.429   1.2412  736.895   65.690  727.051   98.066  744.907   88.473   27.250   1.8539   27.608   1.6509 -0.3574448 2.482405 
1 1 1    7    3   28 o   51.144   0.8409  2552.70   83.395  2505.66  120.042  2596.59  115.942   50.682   1.2202   51.606   1.1574 -0.9244308 1.681765 
1 1 1    7    3   29 o   32.128   1.0992  1016.60   68.252  982.345  100.351  1046.08   93.101   31.602   1.6358   32.653   1.4688 -1.051090 2.198487 
1 1 1    7    3   30 o   30.864   1.1493  939.480   68.844  963.851   98.597  916.295   96.170   31.255   1.6251   30.474   1.6257 0.7809868 2.298669 
1 1 1    7    3   31 o   25.930   1.3393  675.362   67.022  609.205   96.351  737.382   93.290   24.645   2.0140   27.216   1.7658 -2.570930 2.678518 
1 1 1    7    3   32 o   17.351   2.1258  321.274   70.023  349.833  103.224  296.929   95.304   18.203   2.9212   16.500   3.0891 1.703783 4.251626 
1 1 1    7    4    0 o  158.142   1.0481 24279.96  321.745 24614.70  457.517 23952.44  452.557  159.221   1.4803  157.064   1.4843 2.156677 2.096296 
1 1 1    7    4    1 o   45.566   0.4100  2015.62   36.250  2084.88   51.364  1946.89   51.168   46.346   0.5709   44.786   0.5886 1.560066 0.8199782 
1 1 1    7    4    2 o  139.589   0.9543 18907.98  257.614 18812.71  349.018 19022.00  381.831  139.205   1.2916  139.974   1.4053 -0.7689972 1.908664 
1 1 1    7    4    3 o  185.441   1.0588 33382.50  381.122 33961.53  542.562 32818.49  535.485  187.028   1.4944  183.853   1.5004 3.174545 2.117683 
1 1 1    7    4    4 o   74.723   0.5941  5419.73   86.172  5438.99  121.984  5400.55  121.747   74.855   0.8395   74.590   0.8408 0.2649536 1.188174 
1 1 1    7    4    5 f  188.542   1.0280 34501.17  374.938 34612.81  554.257 34406.98  509.100  188.822   1.5121  188.263   1.3931 0.5590515 2.056027 
1 1 1    7    4    6 o   87.224   0.7876  7389.69  127.999  7368.14  213.247  7401.83  160.035   87.123   1.2609   87.325   0.9441 -0.2013245 1.575181 
1 1 1    7    4    7 o  165.852   0.9750 26674.08  312.899 27032.56  462.681 26371.96  424.760  166.877   1.4283  164.827   1.3275 2.050156 1.949979 
1 1 1    7    4    8 f  433.282   1.4312 182229.41  1203.56 183758.70  1721.63 180767.59  1683.20  435.059   2.0386  431.505   2.0095 3.553589 2.862485 
1 1 1    7    4    9 o  100.188   0.7514  9741.60  146.115  9842.58  208.720  9644.56  204.617  100.697   1.0678   99.679   1.0575 1.017975 1.502800 
1 1 1    7    4   10 o  139.954   0.9003 19012.39  244.572 19321.78  347.205 18707.68  344.565  141.084   1.2678  138.824   1.2786 2.260284 1.800590 
1 1 1    7    4   11 o  281.983   1.3028 77213.61  712.747 76764.89  1023.72 77635.73  992.939  281.187   1.8755  282.780   1.8089 -1.593567 2.605683 
1 1 1    7    4   12 o  101.603   0.7932 10023.67  156.393 10168.45  219.332  9873.92  223.061  102.349   1.1040  100.856   1.1394 1.493546 1.586454 
1 1 1    7    4   13 o  178.589   1.0231 30963.90  354.693 31089.97  502.809 30839.03  500.422  178.951   1.4475  178.227   1.4464 0.7236328 2.046286 
1 1 1    7    4   14 o   41.027   0.6656  1635.00   52.846  1620.49   77.674  1647.51   72.106   40.857   0.9794   41.197   0.9017 -0.3397446 1.331211 
1 1 1    7    4   15 o  147.236   1.0169 21050.16  290.634 20901.85  409.292 21201.01  412.768  146.713   1.4371  147.759   1.4391 -1.046082 2.033797 
1 1 1    7    4   16 o   80.795   0.7252  6335.42  113.712  6255.94  158.563  6419.58  163.161   80.274   1.0176   81.317   1.0336 -1.042732 1.450469 
1 1 1    7    4   17 f  123.461   0.9366 14798.00  224.434 14484.69  313.902 15125.65  321.013  122.125   1.3241  124.797   1.3251 -2.672760 1.873283 
1 1 1    7    4   18 o   72.243   0.7321  5057.23  102.483  5235.48  150.461  4902.96  139.973   73.427   1.0556   71.058   1.0148 2.368744 1.464252 
1 1 1    7    4   19 o  122.620   0.9967 14605.48  237.217 14339.18  333.348 14878.70  337.646  121.488   1.4135  123.753   1.4055 -2.265129 1.993376 
1 1 1    7    4   20 o   50.458   0.7259  2465.05   70.901  2571.56  105.019  2375.86   96.109   51.456   1.0514   49.461   1.0010 1.995110 1.451716 
1 1 1    7    4   21 o   21.166   1.3292  436.409   54.291  430.260   81.002  441.424   73.155   21.027   1.9845   21.304   1.7690 -0.2767239 2.658458 
1 1 1    7    4   22 o  150.539   1.3253 22053.88  387.289 21871.38  545.825 22238.92  549.612  149.911   1.8757  151.166   1.8730 -1.254944 2.650697 
1 1 1    7    4   23 o   61.403   0.7760  3662.75   92.428  3683.68  133.321  3643.38  128.251   61.570   1.1155   61.235   1.0789 0.3355179 1.551903 
1 1 1    7    4   24 f   36.897   1.1598  1304.82   77.754  1383.24  138.461  1268.70   93.969   37.675   1.8932   36.118   1.3403 1.557327 2.319633 
1 1 1    7    4   25 o   51.063   0.8053  2537.89   79.636  2490.37  116.091  2580.12  109.446   50.608   1.1817   51.519   1.0944 -0.9105453 1.610638 
1 1 1    7    4   26 o   60.697   0.7964  3579.80   93.618  3650.19  137.700  3519.30  127.661   61.246   1.1582   60.147   1.0934 1.099728 1.592796 
1 1 1    7    4   27 o   38.487   0.9370  1460.13   69.130  1314.77  102.946  1579.52   93.296   36.707   1.4448   40.267   1.1936 -3.560417 1.874024 
1 1 1    7    4   28 o   31.534   1.0617  959.226   64.378  1069.12   99.711  880.669   84.305   33.053   1.5541   30.015   1.4469 3.037750 2.123382 
1 1 1    7    4   29 o   57.085   0.8173  3181.81   90.441  3230.31  131.768  3138.62  124.359   57.488   1.1808   56.683   1.1302 0.8051300 1.634512 
1 1 1    7    4   30 o   55.269   0.8228  2990.75   88.250  2904.11  124.813  3077.36  124.796   54.462   1.1806   56.077   1.1464 -1.614868 1.645646 
1 1 1    7    4   31 o   7.8368   2.3565  -7.6003   65.838   68.339   97.805 -70.5231   89.029   9.3633   3.6788   6.3104   2.9462 3.052906 4.713075 
1 1 1    7    4   32 o   47.075   0.9315  2190.88   84.985  2163.19  123.203  2216.00  117.382   46.766   1.3572   47.385   1.2761 -0.6188049 1.862903 
1 1 1    7    5    0 o  108.815   0.7891 11496.25  166.359 11519.21  228.437 11470.32  242.750  108.931   1.0803  108.699   1.1505 0.2328033 1.578171 
1 1 1    7    5    1 o   29.170   0.3397  826.366   19.225  840.496   26.835  811.468   27.556   29.427   0.4698   28.914   0.4909 0.5126648 0.6794967 
1 1 1    7    5    2 o  182.229   1.0988 32195.55  386.331 31830.31  517.190 32656.58  581.083  181.065   1.4715  183.394   1.6323 -2.328415 2.197609 
1 1 1    7    5    3 o  243.842   1.2467 57772.34  588.297 57258.18  864.477 58215.84  802.889  242.826   1.8340  244.858   1.6892 -2.031265 2.493348 
1 1 1    7    5    4 o  161.076   0.9793 25184.16  306.158 24934.82  429.044 25442.85  437.011  160.263   1.3791  161.887   1.3906 -1.624084 1.958531 
1 1 1    7    5    5 o  113.689   0.7905 12551.57  174.343 12387.96  250.178 12706.03  243.091  112.968   1.1408  114.410   1.0946 -1.441605 1.581012 
1 1 1    7    5    6 o  173.407   1.0004 29196.78  335.793 29100.82  493.388 29279.58  458.315  173.141   1.4680  173.674   1.3595 -0.5330048 2.000779 
1 1 1    7    5    7 o  165.237   1.0755 26520.02  336.390 26432.87  538.801 26575.68  430.628  165.012   1.6821  165.462   1.3407 -0.4506378 2.151031 
1 1 1    7    5    8 o   86.946   0.6862  7333.57  115.754  7451.02  167.115  7225.25  160.488   87.615   0.9826   86.277   0.9583 1.337456 1.372498 
1 1 1    7    5    9 o  272.843   1.1605 72268.53  614.629 72414.83  869.462 72122.41  868.972  273.119   1.6400  272.567   1.6424 0.5520935 2.320950 
1 1 1    7    5   10 o   48.168   0.7457  2251.83   69.519  2255.51  102.373  2248.69   94.704   48.204   1.0940   48.132   1.0136 0.7254028E-01 1.491423 
1 1 1    7    5   11 o   70.654   0.6365  4832.69   87.181  5110.06  127.333  4587.93  119.614   72.557   0.9041   68.750   0.8963 3.806610 1.273040 
1 1 1    7    5   12 o  244.264   1.1423 57923.26  541.629 57542.81  764.330 58307.02  767.638  243.458   1.6173  245.070   1.6136 -1.611450 2.284611 
1 1 1    7    5   13 o   98.180   0.7634  9356.96  145.486  9283.48  205.129  9431.34  206.374   97.792   1.0806   98.568   1.0786 -0.7757339 1.526763 
1 1 1    7    5   14 o  214.352   1.3484 44618.90  561.002 44259.39  787.480 44989.38  799.406  213.476   1.9003  215.228   1.9134 -1.752365 2.696712 
1 1 1    7    5   15 o  168.451   1.0216 27554.07  334.062 27699.48  473.775 27410.29  471.108  168.893   1.4451  168.009   1.4445 0.8839569 2.043264 
1 1 1    7    5   16 o   79.946   0.7157  6199.84  111.017  5981.96  154.564  6432.02  159.560   78.496   1.0144   81.396   1.0099 -2.899384 1.431340 
1 1 1    7    5   17 o  246.523   1.8142 59479.64  822.952 60260.26  1017.14 58000.06  1400.32  248.973   2.1046  244.072   2.9556 4.901947 3.628324 
1 1 1    7    5   18 o   60.211   0.6634  3521.27   77.499  3480.02  111.112  3560.35  108.149   59.867   0.9561   60.555   0.9200 -0.6879692 1.326886 
1 1 1    7    5   19 f   28.092   1.2575  813.059   61.295  660.312  110.014  881.820   73.813   26.053   2.1753   30.130   1.2620 -4.077486 2.514918 
1 1 1    7    5   20 o  190.610   1.4766 35357.57  546.328 34882.95  771.588 35834.74  773.664  189.325   2.0995  191.896   2.0769 -2.570999 2.953212 
1 1 1    7    5   21 o   71.556   0.7649  4971.86  106.155  5011.87  153.701  4935.37  146.790   71.830   1.1023   71.282   1.0608 0.5481873 1.529864 
1 1 1    7    5   22 o  147.318   1.3014 21118.08  372.145 20893.72  523.931 21346.54  528.685  146.528   1.8420  148.108   1.8389 -1.579941 2.602773 
1 1 1    7    5   23 o   32.729   1.0001  1042.49   63.275  1031.91   93.627  1051.39   85.846   32.573   1.4807   32.885   1.3448 -0.3118935 2.000250 
1 1 1    7    5   24 f   29.113   1.1306  828.476   63.449  791.656   94.277  858.960   85.784   28.513   1.7033   29.712   1.4873 -1.198750 2.261285 
1 1 1    7    5   25 o   15.133   2.0870  234.756   59.256  188.405   88.267  272.783   79.951   13.568   3.3672   16.698   2.4666 -3.129967 4.174014 
1 1 1    7    5   26 o   49.283   0.8346  2369.47   79.643  2248.03  114.745  2482.35  110.631   48.056   1.2301   50.510   1.1283 -2.454166 1.669182 
1 1 1    7    5   27 o   48.860   0.8277  2323.27   78.166  2347.85  116.361  2303.06  105.519   49.088   1.2212   48.633   1.1177 0.4552193 1.655461 
1 1 1    7    5   28 o   30.427   1.1191  902.868   65.719  937.981   99.154  875.358   87.766   30.941   1.6508   29.913   1.5115 1.028120 2.238263 
1 1 1    7    5   29 o   38.034   0.9475  1414.74   69.859  1456.90  102.081  1377.61   95.809   38.560   1.3638   37.508   1.3159 1.051788 1.895092 
1 1 1    7    5   30 o   18.071   1.9039  339.945   64.069  295.013   94.770  377.766   86.949   16.738   3.0282   19.404   2.3084 -2.665712 3.807707 
1 1 1    7    5   31 o   12.602   2.4880  180.133   66.026  113.545  100.702  230.344   87.445   10.643   3.8254   14.562   3.1824 -3.919353 4.976100 
1 1 1    7    5   32 o   26.311   1.4165  705.481   71.705  637.013  104.848  765.643   98.283   25.016   2.1591   27.605   1.8341 -2.588842 2.832950 
1 1 1    7    6    0 o  136.331   0.9394 18013.31  247.600 17713.30  334.128 18378.70  368.743  135.076   1.2743  137.587   1.3806 -2.510712 1.878833 
1 1 1    7    6    1 o  162.043   1.0304 25510.41  322.751 25682.43  437.658 25305.32  477.865  162.644   1.3862  161.441   1.5248 1.203323 2.060764 
1 1 1    7    6    2 f  255.373   1.2064 63312.27  597.945 62643.91  837.497 64007.20  853.987  253.999   1.6986  256.747   1.7135 -2.748016 2.412720 
1 1 1    7    6    3 o   97.603   0.7154  9247.31  135.532  9233.78  190.768  9261.09  192.587   97.531   1.0076   97.675   1.0157 -0.1440506 1.430742 
1 1 1    7    6    4 o   76.853   0.7137  5750.93  103.535  5657.04  166.526  5810.10  132.189   76.339   1.1238   77.367   0.8802 -1.028000 1.427428 
1 1 1    7    6    5 o  240.844   1.1970 56314.12  559.610 56405.42  790.280 56222.30  792.542  241.039   1.6890  240.648   1.6966 0.3918457 2.393970 
1 1 1    7    6    6 o  376.228   1.4733 137537.30  1066.74 136588.80  1615.36 138270.80  1420.54  375.069   2.2187  377.387   1.9391 -2.318420 2.946624 
1 1 1    7    6    7 o  354.803   1.3952 122027.60  951.308 123511.20  1455.88 120922.10  1256.70  356.677   2.1027  352.930   1.8343 3.746429 2.790387 
1 1 1    7    6    8 o   60.760   0.6641  3582.65   74.939  3580.79   93.269  3586.02  125.875   60.738   0.7911   60.782   1.0668 -0.4328156E-01 1.328137 
1 1 1    7    6    9 o  314.772   1.3180 96171.28  804.208 96598.76  1170.00 95788.44  1107.23  315.433   1.9108  314.112   1.8159 1.321503 2.636022 
1 1 1    7    6   10 f  151.892   0.9227 22395.29  272.046 22230.01  383.948 22561.94  385.520  151.329   1.3070  152.455   1.3027 -1.125671 1.845350 
1 1 1    7    6   11 o  192.967   1.0891 36148.21  406.607 36159.35  599.802 36138.74  553.093  192.992   1.6010  192.941   1.4768 0.5151367E-01 2.178106 
1 1 1    7    6   12 o  248.182   1.2153 59863.57  583.105 60536.00  792.252 59068.74  861.344  249.708   1.6344  246.657   1.7989 3.051559 2.430550 
1 1 1    7    6   13 o  139.562   0.9267 18909.32  251.053 18778.65  355.177 19039.80  354.909  139.080   1.3156  140.044   1.3055 -0.9639740 1.853416 
1 1 1    7    6   14 o   48.411   0.6344  2272.91   59.585  2334.31   86.108  2216.49   82.536   49.038   0.9046   47.784   0.8898 1.253498 1.268869 
1 1 1    7    6   15 o  203.304   1.1992 40142.48  473.237 39943.46  665.869 40345.61  672.701  202.795   1.6915  203.812   1.7003 -1.017578 2.398360 
1 1 1    7    6   16 o  140.010   1.0305 19049.89  279.776 19362.77  388.551 18713.02  403.181  141.207   1.4175  138.813   1.4962 2.393463 2.061091 
1 1 1    7    6   17 o   93.798   0.8862  8474.60  156.436  8269.36  197.135  8823.64  257.080   92.283   1.1005   95.313   1.3895 -3.029991 1.772477 
1 1 1    7    6   18 o  157.103   1.2092 23985.71  368.126 23981.73  506.076 23990.19  536.471  157.095   1.6595  157.111   1.7590 -0.1606750E-01 2.418328 
1 1 1    7    6   19 o  137.019   1.0289 18237.07  273.634 18599.50  390.104 17886.02  383.924  138.359   1.4525  135.679   1.4577 2.680191 2.057806 
1 1 1    7    6   20 o   34.713   1.1184  1225.54   67.055  1049.81  123.270  1299.40   79.912   32.851   1.9331   36.575   1.1255 -3.724525 2.236879 
1 1 1    7    6   21 o   80.271   0.8039  6260.05  125.244  6174.17  177.620  6344.97  176.627   79.722   1.1478   80.819   1.1258 -1.096504 1.607750 
1 1 1    7    6   22 f  144.719   1.2786 20379.36  359.191 20261.65  506.858 20498.11  509.096  144.299   1.8095  145.139   1.8070 -0.8400574 2.557224 
1 1 1    7    6   23 f  108.823   1.0040 11515.59  212.089 11435.07  299.934 11596.12  299.944  108.442   1.4248  109.204   1.4149 -0.7623825 2.008035 
1 1 1    7    6   24 o   67.617   0.7882  4441.50  103.335  4487.87  150.261  4399.90  142.336   67.950   1.1392   67.285   1.0898 0.6651764 1.576487 
1 1 1    7    6   25 o   23.872   1.3534  552.563   62.443  589.703   93.766  522.967   83.704   24.586   1.9647   23.159   1.8619 1.426868 2.706821 
1 1 1    7    6   26 o   22.790   1.4368  514.477   62.489  468.471   94.977  549.596   82.980   21.861   2.2381   23.719   1.8022 -1.858490 2.873514 
1 1 1    7    6   27 o   40.620   0.8993  1615.60   70.582  1498.46  102.302  1722.02   97.507   39.198   1.3445   42.041   1.1948 -2.843506 1.798659 
1 1 1    7    6   28 o   47.934   0.8365  2247.49   77.599  2083.61  111.005  2404.11  108.521   46.209   1.2375   49.659   1.1258 -3.449787 1.672971 
1 1 1    7    6   29 o   35.601   0.9934  1240.09   68.321  1269.07  102.260  1216.72   91.822   35.960   1.4650   35.241   1.3422 0.7182617 1.986873 
1 1 1    7    6   30 o   13.416   2.3592  185.499   62.988  279.652   96.448  115.475   83.176   16.223   3.1763   10.609   3.4891 5.614059 4.718367 
1 1 1    7    6   31 o   45.683   0.9106  2059.63   80.324  1991.58  118.693  2117.12  109.103   44.949   1.3603   46.418   1.2108 -1.469173 1.821153 
1 1 1    7    6   32 o   47.241   1.0626  2195.69   95.987  2095.47  124.228  2344.16  151.206   45.996   1.3914   48.486   1.6065 -2.490917 2.125263 
1 1 1    7    7    0 o   68.400   0.5584  4542.28   74.126  4595.32  104.101  4487.73  105.573   68.805   0.7794   67.995   0.7999 0.8103714 1.116809 
1 1 1    7    7    1 o  204.379   1.1596 40560.76  457.000 40583.33  612.116 40532.34  686.926  204.447   1.5424  204.310   1.7320 0.1376038 2.319226 
1 1 1    7    7    2 o   79.693   0.6287  6164.54   97.254  6135.54  136.705  6194.26  138.387   79.503   0.8858   79.883   0.8924 -0.3794785 1.257412 
1 1 1    7    7    3 o  187.583   1.0517 34162.69  382.944 34232.57  541.036 34092.55  542.094  187.775   1.4843  187.390   1.4903 0.3846436 2.103339 
1 1 1    7    7    4 o  173.609   1.0331 29260.25  348.163 29259.52  490.869 29260.98  493.898  173.607   1.4566  173.611   1.4655 -0.4089355E-02 2.066247 
1 1 1    7    7    5 o  166.782   1.0903 26974.36  349.177 27200.15  535.669 26807.53  460.446  167.386   1.6486  166.178   1.4274 1.207687 2.180657 
1 1 1    7    7    6 o  472.940   1.7686 217698.30  1541.18 215568.20  2626.20 218817.20  1903.41  471.138   2.8715  474.742   2.0654 -3.604095 3.537188 
1 1 1    7    7    7 o  253.344   1.1814 62325.19  578.339 62107.78  859.245 62505.26  781.992  252.938   1.7500  253.750   1.5876 -0.8124237 2.362806 
1 1 1    7    7    8 o   28.223   0.7699  768.507   41.989  879.272   61.855  673.848   57.182   30.097   1.0587   26.348   1.1180 3.749472 1.539764 
1 1 1    7    7    9 o  387.274   1.4118 145661.80  1059.18 144861.09  1545.86 146370.30  1454.14  386.266   2.0617  388.281   1.9293 -2.014771 2.823579 
1 1 1    7    7   10 o  225.515   1.2678 49294.98  550.340 48777.18  730.606 49974.15  836.742  224.152   1.6791  226.878   1.8999 -2.726425 2.535558 
1 1 1    7    7   11 o  178.833   1.0106 31038.98  350.774 30491.84  491.512 31606.91  500.756  177.228   1.4287  180.439   1.4297 -3.211441 2.021152 
1 1 1    7    7   12 o  177.232   1.0965 30487.47  377.172 30898.67  539.310 30093.81  527.683  178.402   1.5573  176.063   1.5440 2.338470 2.192957 
1 1 1    7    7   13 o   58.713   0.6321  3347.40   71.946  3322.85  104.343  3369.65   99.335   58.508   0.9187   58.919   0.8685 -0.4109764 1.264275 
1 1 1    7    7   14 o  142.678   1.0633 19762.62  294.460 19327.83  413.382 20210.48  419.545  141.085   1.5094  144.271   1.4981 -3.185989 2.126627 
1 1 1    7    7   15 o  182.294   1.1358 32273.64  401.928 32327.48  569.369 32220.15  567.460  182.446   1.6077  182.143   1.6049 0.3029327 2.271650 
1 1 1    7    7   16 o   83.158   0.7428  6709.86  119.815  6809.33  173.333  6618.84  165.804   83.747   1.0662   82.568   1.0345 1.178986 1.485583 
1 1 1    7    7   17 o   45.329   0.6748  2000.35   59.187  1910.68   86.009  2081.00   81.572   44.360   0.9988   46.297   0.9077 -1.936546 1.349629 
1 1 1    7    7   18 o   38.003   0.8687  1410.97   62.454  1441.04   80.281  1364.88   99.396   38.522   1.0736   37.484   1.3660 1.037758 1.737402 
1 1 1    7    7   19 o  167.456   1.1144 27242.72  361.791 27102.86  498.485 27398.40  525.914  167.007   1.5376  167.905   1.6136 -0.8981018 2.228879 
1 1 1    7    7   20 o  108.767   0.9897 11493.06  208.929 11656.62  298.743 11336.48  292.303  109.523   1.4052  108.010   1.3941 1.513474 1.979414 
1 1 1    7    7   21 o  122.609   1.3438 14493.96  298.526 14994.87  531.519 14263.14  360.810  124.090   2.2066  121.128   1.5345 2.962471 2.687688 
1 1 1    7    7   22 o  156.596   1.3738 23871.04  417.588 23619.17  588.247 24126.90  592.898  155.762   1.9455  157.429   1.9401 -1.666595 2.747556 
1 1 1    7    7   23 o   41.996   0.8404  1711.16   68.395  1760.44  100.257  1668.27   93.542   42.560   1.2135   41.433   1.1630 1.126720 1.680869 
1 1 1    7    7   24 o  104.803   0.9787 10683.77  199.086 10534.53  281.385 10833.36  281.715  104.069   1.3929  105.537   1.3751 -1.468582 1.957306 
1 1 1    7    7   25 o   73.138   0.8138  5193.83  115.296  5309.26  169.357  5094.11  157.405   73.890   1.1807   72.385   1.1202 1.505753 1.627584 
1 1 1    7    7   26 o   33.889   1.0047  1107.62   65.745  1248.16   99.157  997.359   87.826   35.787   1.4274   31.991   1.4143 3.795696 2.009357 
1 1 1    7    7   27 o   33.495   1.0242  1095.42   66.457  1090.34   96.978  1099.92   91.253   33.415   1.4951   33.574   1.4001 -0.1589775 2.048324 
1 1 1    7    7   28 o   29.682   1.1464  864.828   65.729  844.820   97.245  881.657   89.187   29.350   1.7068   30.014   1.5308 -0.6633644 2.292725 
1 1 1    7    7   29 o   46.674   0.8456  2127.98   76.499  2172.62  111.727  2088.58  104.962   47.126   1.2213   46.221   1.1698 0.9054260 1.691195 
1 1 1    7    7   30 o   37.481   0.9835  1379.27   71.188  1393.44  106.418  1367.80   95.773   37.633   1.4567   37.330   1.3217 0.3031235 1.966955 
1 1 1    7    7   31 o   9.5670   2.3737   66.360   65.456 -53.1308   97.270  165.254   88.490   6.9075   3.1734   12.226   3.5309 -5.318974 4.747454 
1 1 1    7    7   32 o   11.975   2.8823  162.819   79.757  160.350  106.065  166.031  120.989   11.874   3.9418   12.076   4.2064 -0.2017775 5.764631 
1 1 1    7    8    0 o   79.081   0.6369  6072.09   97.728  6129.16  136.627  6012.30  139.845   79.462   0.8858   78.700   0.9154 0.7614746 1.273772 
1 1 1    7    8    1 o   62.999   0.5156  3852.53   63.057  3881.16   89.133  3823.85   89.220   63.233   0.7261   62.765   0.7323 0.4687042 1.031277 
1 1 1    7    8    2 o  193.512   1.0707 36357.41  402.181 36313.70  568.154 36401.33  569.388  193.396   1.5134  193.629   1.5149 -0.2331390 2.141304 
1 1 1    7    8    3 o  120.585   0.8394 14115.68  196.478 14147.49  277.428 14083.68  278.299  120.722   1.1839  120.449   1.1903 0.2726440 1.678765 
1 1 1    7    8    4 o  131.090   0.9690 16706.54  243.094 16535.35  375.833 16829.69  318.750  130.510   1.4835  131.670   1.2471 -1.160553 1.938039 
1 1 1    7    8    5 o  431.643   1.8144 181164.09  1495.99 179611.20  2328.37 182255.80  1952.27  430.045   2.7892  433.241   2.3214 -3.195801 3.628792 
1 1 1    7    8    6 o  214.328   1.1556 44588.11  480.776 45247.18  684.016 43944.60  675.895  215.893   1.6322  212.763   1.6365 3.130371 2.311297 
1 1 1    7    8    7 f  151.488   1.0032 22230.13  293.554 21830.86  394.326 22726.49  439.660  149.966   1.3546  153.010   1.4802 -3.043594 2.006476 
1 1 1    7    8    8 o  117.960   0.8213 13515.01  187.940 13169.73  268.247 13847.91  263.394  116.479   1.1864  119.441   1.1360 -2.961937 1.642565 
1 1 1    7    8    9 o  161.415   0.9926 25281.76  310.359 25453.75  454.636 25131.65  424.717  161.928   1.4464  160.902   1.3598 1.026276 1.985192 
1 1 1    7    8   10 f  245.844   1.1896 58669.23  565.246 58739.84  839.648 58610.72  764.398  245.977   1.7585  245.712   1.6026 0.2652588 2.379209 
1 1 1    7    8   11 o  275.626   1.6622 73910.56  877.242 74622.06  1152.65 72931.14  1352.36  277.217   2.1420  274.034   2.5423 3.183472 3.324335 
1 1 1    7    8   12 o  163.484   1.0270 25933.81  325.319 25733.87  445.955 26161.24  475.617  162.812   1.4110  164.157   1.4926 -1.344208 2.053967 
1 1 1    7    8   13 o  201.411   1.1763 39375.08  459.795 39958.53  659.299 38822.59  641.560  202.863   1.6742  199.959   1.6528 2.903275 2.352642 
1 1 1    7    8   14 o  280.621   1.2284 76476.53  669.115 76657.02  949.974 76298.84  942.612  280.949   1.7419  280.293   1.7324 0.6562500 2.456724 
1 1 1    7    8   15 f  100.344   0.8131  9775.06  158.363  9618.48  222.921  9934.59  225.011   99.533   1.1538  101.155   1.1459 -1.622551 1.626129 
1 1 1    7    8   16 o   99.936   0.8537  9690.92  165.519  9881.92  238.816  9514.35  229.614  100.882   1.2195   98.989   1.1949 1.893173 1.707357 
1 1 1    7    8   17 o   32.995   0.8015  1057.74   51.168  1050.22   75.345  1064.17   69.707   32.885   1.1803   33.105   1.0847 -0.2191048 1.603032 
1 1 1    7    8   18 o  155.299   1.0793 23430.65  325.336 23853.29  462.496 23016.67  457.730  156.686   1.5206  153.912   1.5320 2.773499 2.158558 
1 1 1    7    8   19 o  199.689   1.5230 38651.38  579.609 38060.65  748.726 39534.79  915.609  197.834   1.9496  201.544   2.3403 -3.709183 3.046023 
1 1 1    7    8   20 o   72.738   0.7467  5137.37  105.400  5197.26  151.126  5080.65  147.073   73.151   1.0643   72.326   1.0475 0.8244781 1.493330 
1 1 1    7    8   21 o  137.646   1.2186 18420.43  325.518 18694.27  466.741 18161.09  454.218  138.640   1.7343  136.652   1.7123 1.987823 2.437169 
1 1 1    7    8   22 o   29.990   1.3105  868.700   68.642  890.708  130.055  860.202   80.814   30.234   2.2160   29.747   1.3995 0.4868584 2.620963 
1 1 1    7    8   23 o   25.770   1.1840  646.530   59.061  642.653   86.739  649.881   80.643   25.696   1.7390   25.845   1.6074 -0.1493740 2.368059 
1 1 1    7    8   24 o   62.856   0.7792  3849.03   94.818  3675.64  137.185  4007.63  131.200   61.493   1.1492   64.218   1.0525 -2.724781 1.558357 
1 1 1    7    8   25 o   12.436   2.4164  155.817   59.752  170.714   90.849  144.460   79.322   12.940   3.5223   11.931   3.3091 1.009180 4.832894 
1 1 1    7    8   26 o   15.283   2.1387  238.735   61.695  206.520   91.647  265.433   83.431   14.145   3.3833   16.421   2.6173 -2.276141 4.277458 
1 1 1    7    8   27 o   40.765   0.8961  1621.62   70.739  1597.83  103.301  1642.63   97.070   40.477   1.3147   41.054   1.2180 -0.5774574 1.792244 
1 1 1    7    8   28 o   52.111   0.8162  2635.93   82.303  2804.10  122.454  2497.36  111.152   53.614   1.1766   50.607   1.1315 3.007755 1.632366 
1 1 1    7    8   29 o   27.349   1.2385  739.559   65.435  721.028   96.691  755.216   88.879   27.008   1.8443   27.690   1.6535 -0.6820469 2.476995 
1 1 1    7    8   30 f   25.949   1.3425  668.364   67.200  675.420  101.015  662.762   90.005   26.039   1.9984   25.859   1.7930 0.1804581 2.684903 
1 1 1    7    8   31 f   29.247   1.2549  864.114   70.131  766.545  104.864  943.068   94.332   27.651   1.9537   30.842   1.5756 -3.191473 2.509849 
1 1 1    7    8   32 f   31.936   1.6756  1071.28  101.026  931.360  155.031  1174.56  133.189   29.831   2.6772   34.040   2.0156 -4.208742 3.351149 
1 1 1    7    9    0 o   91.585   0.6785  8141.56  120.628  8065.67  169.635  8219.20  171.568   91.154   0.9587   92.017   0.9605 -0.8634491 1.357077 
1 1 1    7    9    1 o  120.085   0.8198 13999.03  191.104 14001.78  269.636 13996.25  270.890  120.097   1.1566  120.073   1.1622 0.2382660E-01 1.639642 
1 1 1    7    9    2 o   33.629   0.3721  1098.26   24.279  1119.90   33.978  1075.69   34.705   33.968   0.5153   33.290   0.5370 0.6772575 0.7442889 
1 1 1    7    9    3 o  254.704   1.2721 63044.16  627.508 62108.48  915.418 63873.56  861.864  252.916   1.8646  256.491   1.7310 -3.575302 2.544211 
1 1 1    7    9    4 o  265.733   1.3297 68592.88  681.042 68269.06  1024.93 68848.87  911.324  265.166   1.9912  266.300   1.7629 -1.133667 2.659467 
1 1 1    7    9    5 o  125.722   0.8757 15340.35  213.681 15658.70  304.189 15030.24  300.231  127.009   1.2338  124.434   1.2429 2.574966 1.751329 
1 1 1    7    9    6 o  256.503   1.4149 63826.71  683.171 63677.88  865.661 64072.44  1112.39  256.115   1.7412  256.891   2.2307 -0.7760925 2.829811 
1 1 1    7    9    7 o  134.498   0.8776 17573.03  228.922 17116.18  327.764 18008.15  319.869  132.789   1.2715  136.206   1.2098 -3.416748 1.755115 
1 1 1    7    9    8 o  274.159   1.2180 72987.38  645.455 72761.85  957.416 73175.28  873.910  273.768   1.8016  274.550   1.6398 -0.7822876 2.436081 
1 1 1    7    9    9 o  268.408   1.2196 69958.98  632.581 69740.48  939.602 70140.12  855.510  268.021   1.8060  268.794   1.6396 -0.7728882 2.439227 
1 1 1    7    9   10 o  298.477   1.2716 86577.11  733.723 85524.87  1084.86 87464.20  996.098  296.800   1.8830  300.154   1.7096 -3.354095 2.543280 
1 1 1    7    9   11 o  260.200   1.2223 65720.27  614.630 65849.90  913.884 65613.20  830.520  260.431   1.8077  259.970   1.6457 0.4616089 2.444657 
1 1 1    7    9   12 o  220.996   1.1637 47436.05  497.426 47633.74  676.118 47202.77  734.426  221.501   1.5725  220.491   1.7159 1.010437 2.327438 
1 1 1    7    9   13 o  101.584   0.7816 10016.90  154.106  9856.60  217.004 10179.99  218.887  100.765   1.1094  102.404   1.1011 -1.639778 1.563101 
1 1 1    7    9   14 o  168.124   1.0240 27446.47  334.195 27464.21  473.837 27428.91  471.418  168.178   1.4514  168.070   1.4449 0.1077728 2.048045 
1 1 1    7    9   15 o  113.558   0.8995 12524.48  198.230 12819.45  279.546 12226.14  281.139  114.904   1.2533  112.213   1.2907 2.691765 1.799047 
1 1 1    7    9   16 o  193.511   1.2927 36380.10  485.563 36493.03  685.546 36266.42  687.839  193.813   1.8222  193.209   1.8340 0.6038971 2.585302 
1 1 1    7    9   17 o  127.575   0.9781 15809.82  241.863 15793.02  351.507 15824.92  333.310  127.508   1.4201  127.642   1.3452 -0.1340332 1.956108 
1 1 1    7    9   18 o   78.964   0.7525  6055.33  115.313  6045.22  165.104  6064.96  161.123   78.899   1.0780   79.029   1.0503 -0.1297684 1.505054 
1 1 1    7    9   19 o   83.240   0.9144  6688.95  141.686  6585.40  176.210  6878.36  238.317   82.345   1.1024   84.136   1.4592 -1.791451 1.828779 
1 1 1    7    9   20 o   47.314   0.8666  2173.90   76.645  2171.49   96.179  2178.08  126.871   47.284   1.0479   47.344   1.3805 -0.5981445E-01 1.733133 
1 1 1    7    9   21 o  131.935   1.1715 16926.09  300.019 17025.08  427.165 16829.72  421.474  132.315   1.6631  131.555   1.6504 0.7593994 2.343050 
1 1 1    7    9   22 o   36.947   0.8780  1321.65   62.613  1371.53   94.435  1282.52   83.641   37.565   1.2951   36.330   1.1860 1.235321 1.756077 
1 1 1    7    9   23 o   42.816   1.0156  1814.34   77.844  1700.03  138.161  1867.51   94.223   41.794   1.7030   43.839   1.1072 -2.045254 2.031266 
1 1 1    7    9   24 o   81.625   0.8466  6477.72  134.016  6463.55  193.607  6490.77  185.694   81.536   1.2232   81.714   1.1707 -0.1773071 1.693152 
1 1 1    7    9   25 o   53.520   0.7960  2781.26   82.277  2822.83  123.108  2747.71  110.609   53.876   1.1771   53.163   1.0718 0.7127876 1.591978 
1 1 1    7    9   26 o   76.244   0.8280  5659.66  122.419  5628.93  176.843  5687.93  169.635   76.040   1.1981   76.448   1.1431 -0.4077988 1.655916 
1 1 1    7    9   27 o   30.268   1.1241  900.236   65.627  844.562   96.536  948.074   89.485   29.379   1.6928   31.157   1.4796 -1.778162 2.248224 
1 1 1    7    9   28 o   29.154   1.1267  830.997   63.691  877.058   92.683  789.783   87.672   29.917   1.5959   28.391   1.5908 1.526653 2.253382 
1 1 1    7    9   29 o   10.249   2.5349   99.276   62.055  117.888   92.700   84.162   83.533   10.865   3.6856   9.6328   3.4812 1.231737 5.069812 
1 1 1    7    9   30 o   47.109   0.8766  2170.07   79.765  2236.38  119.652  2117.04  107.012   47.734   1.2913   46.483   1.1860 1.250687 1.753276 
1 1 1    7    9   31 o   30.013   1.1861  893.611   68.735  917.132  103.193  874.854   92.152   30.334   1.7525   29.692   1.5988 0.6420841 2.372230 
1 1 1    7    9   32 o   19.368   2.5911  407.585   94.131  521.193  151.035  335.429  120.367   21.669   3.5907   17.068   3.7366 4.601135 5.182181 
1 1 1    7   10    0 o  157.545   1.0141 24051.66  308.829 23617.09  416.419 24582.84  460.382  155.969   1.3754  159.122   1.4905 -3.153290 2.028105 
1 1 1    7   10    1 o  217.078   1.1257 45753.29  474.322 45862.94  668.417 45642.08  673.193  217.340   1.5843  216.816   1.5995 0.5246429 2.251321 
1 1 1    7   10    2 o  164.022   1.0104 26117.84  321.700 26221.42  455.639 26014.88  454.270  164.346   1.4282  163.698   1.4296 0.6485901 2.020768 
1 1 1    7   10    3 o  134.043   0.9368 17417.80  243.212 17785.60  357.797 17101.88  331.601  135.356   1.3617  132.730   1.2870 2.625916 1.873694 
1 1 1    7   10    4 o  467.450   1.6628 212179.59  1508.80 212597.20  2134.50 211762.59  2133.04  467.910   2.3500  466.991   2.3530 0.9196472 3.325542 
1 1 1    7   10    5 o  190.966   1.2464 35381.09  446.101 35318.62  561.714 35487.79  734.100  190.743   1.5171  191.188   1.9780 -0.4453278 2.492785 
1 1 1    7   10    6 o  184.545   1.0728 33054.79  384.282 32683.30  538.932 33439.02  548.096  183.491   1.5131  185.600   1.5213 -2.109100 2.145620 
1 1 1    7   10    7 o  268.690   1.2046 70078.56  625.151 70144.68  931.919 70024.47  842.955  268.803   1.7860  268.578   1.6168 0.2253418 2.409140 
1 1 1    7   10    8 o  172.906   1.0186 28970.46  340.760 29634.10  505.046 28415.88  461.684  174.720   1.4891  171.093   1.3901 3.627060 2.037110 
1 1 1    7   10    9 o  133.003   0.8938 17152.46  230.300 17463.40  337.863 16882.62  314.750  134.128   1.2976  131.879   1.2295 2.248337 1.787605 
1 1 1    7   10   10 o  211.156   1.1251 43257.58  459.514 43605.71  680.588 42965.95  622.935  211.934   1.6543  210.378   1.5254 1.556641 2.250228 
1 1 1    7   10   11 o   60.776   0.7479  3554.73   82.564  3672.26  146.271  3499.77  100.021   61.506   1.2251   60.046   0.8581 1.459728 1.495739 
1 1 1    7   10   12 o  167.109   1.1127 27114.33  359.893 27088.96  529.454 27136.13  490.686  167.035   1.6329  167.184   1.5120 -0.1493225 2.225397 
1 1 1    7   10   13 o  121.271   1.0633 14275.43  248.574 14310.33  374.403 14247.92  332.407  121.401   1.5887  121.141   1.4136 0.2601395 2.126550 
1 1 1    7   10   14 o  116.507   0.8529 13179.21  192.869 13136.23  274.031 13221.40  271.502  116.318   1.2136  116.695   1.1985 -0.3769531 1.705705 
1 1 1    7   10   15 o  210.644   1.2081 43094.39  493.999 43393.77  700.581 42798.36  696.675  211.372   1.7074  209.916   1.7097 1.455322 2.416282 
1 1 1    7   10   16 o  209.592   1.2344 42670.68  502.151 42984.96  716.618 42367.50  703.852  210.349   1.7550  208.835   1.7363 1.514206 2.468740 
1 1 1    7   10   17 o   98.152   0.8163  9354.60  155.523  9208.90  218.795  9503.41  221.109   97.379   1.1575   98.924   1.1514 -1.545181 1.632638 
1 1 1    7   10   18 o  149.163   1.0729 21618.74  310.648 21715.09  439.760 21522.77  438.885  149.495   1.5154  148.831   1.5191 0.6638641 2.145730 
1 1 1    7   10   19 o   94.891   0.8267  8746.29  152.267  8726.67  216.676  8765.43  214.024   94.785   1.1776   94.997   1.1606 -0.2112732 1.653425 
1 1 1    7   10   20 o  122.606   1.0505 14610.18  249.996 14615.63  355.283 14604.84  351.838  122.628   1.4925  122.584   1.4786 0.4370117E-01 2.100904 
1 1 1    7   10   21 o   74.095   0.9444  5314.13  129.288  5266.96  159.606  5404.15  220.486   73.633   1.1166   74.557   1.5234 -0.9244461 1.888858 
1 1 1    7   10   22 o  110.747   1.0155 11924.93  218.290 11953.58  311.047 11897.12  306.421  110.877   1.4452  110.618   1.4270 0.2597198 2.030983 
1 1 1    7   10   23 o   19.014   1.5893  352.168   58.339  356.989   87.442  348.300   78.318   19.126   2.3552   18.901   2.1346 0.2250099 3.178602 
1 1 1    7   10   24 o   29.956   1.4363  951.042   71.596  722.543  134.295  1041.78   84.625   27.183   2.5450   32.729   1.3320 -5.545298 2.872545 
1 1 1    7   10   25 o   76.441   0.8296  5685.30  123.019  5604.06  176.373  5762.27  171.672   75.905   1.1970   76.976   1.1489 -1.070412 1.659149 
1 1 1    7   10   26 o   32.065   1.0626  1004.90   65.586  985.626   98.853  1020.06   87.658   31.779   1.6024   32.351   1.3958 -0.5716839 2.125117 
1 1 1    7   10   27 f   49.868   0.8272  2414.48   79.922  2576.84  117.493  2274.65  109.035   51.422   1.1771   48.315   1.1626 3.106739 1.654409 
1 1 1    7   10   28 o   36.081   0.9772  1282.67   67.823  1182.48  100.408  1366.75   91.978   34.754   1.4883   37.408   1.2666 -2.654263 1.954344 
1 1 1    7   10   29 f   37.629   0.9575  1380.86   69.472  1454.19  105.522  1324.76   92.296   38.488   1.4124   36.769   1.2931 1.719234 1.914918 
1 1 1    7   10   30 o   22.186   1.5268  491.169   65.352  510.568   98.746  476.050   87.174   22.542   2.2566   21.830   2.0572 0.7125950 3.053558 
1 1 1    7   10   31 o   12.972   2.4383  192.402   64.321  132.790   98.324  236.996   85.042   11.147   3.7957   14.797   3.0617 -3.649510 4.876642 
1 1 1    7   10   32 f   10.267   2.8197   87.606   89.502 -45.7157  146.329  167.299  113.132   8.5053   3.9019   12.028   4.0717 -3.522770 5.639411 
1 1 1    7   11    0 f  160.809   0.9818 25103.19  306.474 24937.55  430.499 25273.41  436.401  160.272   1.3837  161.347   1.3933 -1.075378 1.963700 
1 1 1    7   11    1 o   98.424   0.7295  9402.43  139.359  9301.25  195.771  9506.37  198.423   97.887   1.0303   98.961   1.0329 -1.073410 1.458904 
1 1 1    7   11    2 o  286.879   1.4871 80022.47  819.378 79158.11  1249.71 80674.20  1085.18  285.508   2.2549  288.249   1.9394 -2.740356 2.974195 
1 1 1    7   11    3 o   54.505   0.6016  2884.45   61.020  2880.43  101.984  2886.69   76.156   54.475   0.9644   54.535   0.7194 -0.6011581E-01 1.203188 
1 1 1    7   11    4 o  185.561   1.1353 33412.04  406.698 33287.87  546.773 33565.82  608.480  185.177   1.5211  185.945   1.6858 -0.7677460 2.270576 
1 1 1    7   11    5 o  181.863   1.0526 32103.67  371.561 31950.99  521.356 32261.26  529.676  181.423   1.4804  182.302   1.4968 -0.8784637 2.105200 
1 1 1    7   11    6 o   97.678   0.7398  9260.99  140.269  9234.68  198.244  9287.35  198.496   97.539   1.0470   97.817   1.0454 -0.2777557 1.479551 
1 1 1    7   11    7 o  274.615   1.2762 73211.76  680.294 73177.13  958.427 73246.93  965.779  274.550   1.7983  274.681   1.8113 -0.1304626 2.552401 
1 1 1    7   11    8 o  456.483   1.5167 202584.59  1328.14 200569.59  2035.45 204078.59  1752.65  454.491   2.3071  458.475   1.9693 -3.984100 3.033311 
1 1 1    7   11    9 o  291.118   1.2582 82320.29  707.743 81831.34  1051.25 82725.63  957.157  290.323   1.8653  291.913   1.6891 -1.589386 2.516477 
1 1 1    7   11   10 o  137.432   0.9213 18338.23  245.479 18264.97  355.629 18404.91  339.268  137.169   1.3356  137.695   1.2693 -0.5256195 1.842534 
1 1 1    7   11   11 o  171.563   1.0409 28577.33  345.852 28524.06  506.478 28623.87  473.411  171.412   1.5221  171.714   1.4203 -0.3020782 2.081839 
1 1 1    7   11   12 o  129.808   0.9298 16358.00  234.289 16474.55  331.897 16242.24  330.776  130.269   1.3125  129.347   1.3174 0.9218445 1.859608 
1 1 1    7   11   13 o  183.052   1.0846 32559.37  384.542 32151.82  560.884 32920.86  528.232  181.968   1.5879  184.137   1.4778 -2.168503 2.169154 
1 1 1    7   11   14 o   53.910   0.6195  2821.67   64.804  2808.39   92.763  2834.33   90.569   53.786   0.8885   54.034   0.8635 -0.2481003 1.238922 
1 1 1    7   11   15 o  118.038   0.9946 13518.33  222.696 13476.85  285.825 13582.42  355.257  117.814   1.2498  118.263   1.5475 -0.4489059 1.989153 
1 1 1    7   11   16 o   86.479   0.7782  7257.24  130.568  7386.65  188.245  7137.27  181.255   87.221   1.1118   85.737   1.0891 1.484291 1.556359 
1 1 1    7   11   17 o   74.315   0.7013  5360.50  101.137  5436.20  145.302  5289.36  140.860   74.824   1.0004   73.807   0.9832 1.016945 1.402636 
1 1 1    7   11   18 o   98.245   0.8336  9373.82  158.949  9171.27  223.779  9580.07  225.810   97.174   1.1863   99.317   1.1713 -2.142952 1.667108 
1 1 1    7   11   19 o  112.795   0.9808 12360.55  214.730 12463.18  306.353 12261.44  301.063  113.254   1.3935  112.335   1.3806 0.9191971 1.961617 
1 1 1    7   11   20 o   37.863   0.8971  1380.24   64.526  1334.25   82.485  1452.76  103.585   37.061   1.1465   38.665   1.3801 -1.603634 1.794227 
1 1 1    7   11   21 o  124.319   1.1129 15026.14  268.571 14871.07  377.618 15184.88  382.053  123.670   1.5730  124.968   1.5749 -1.297760 2.225900 
1 1 1    7   11   22 o   49.307   0.8934  2381.32   83.059  2443.65  106.339  2283.79  133.017   50.150   1.0923   48.465   1.4139 1.685459 1.786701 
1 1 1    7   11   23 o   22.617   1.3632  498.184   59.606  501.134   88.492  495.735   80.644   22.675   2.0104   22.560   1.8415 0.1148338 2.726336 
1 1 1    7   11   24 o   55.148   0.7804  2959.51   83.056  2923.54  123.934  2988.83  111.902   54.839   1.1642   55.457   1.0395 -0.6179886 1.560750 
1 1 1    7   11   25 o   79.141   1.0440  6154.46  149.018  5949.40  263.047  6251.37  180.835   78.111   1.7348   80.171   1.1620 -2.060272 2.088027 
1 1 1    7   11   26 o   57.808   0.7988  3253.35   89.373  3242.46  131.379  3262.73  121.933   57.712   1.1727   57.904   1.0848 -0.1926994 1.597515 
1 1 1    7   11   27 o   72.617   0.8124  5133.99  114.450  5260.67  165.464  5017.79  158.476   73.472   1.1601   71.762   1.1376 1.710548 1.624861 
1 1 1    7   11   28 f   24.552   1.3177  583.656   62.164  662.050   96.701  528.442   81.155   25.923   1.9217   23.180   1.8036 2.742508 2.635469 
1 1 1    7   11   29 o   34.477   1.0290  1173.97   67.887  1130.89  104.117  1205.83   89.538   33.885   1.5829   35.069   1.3153 -1.183987 2.058050 
1 1 1    7   11   30 o   19.063   1.7364  351.126   62.758  472.088  101.581  276.454   79.812   21.609   2.4217   16.517   2.4892 5.091501 3.472813 
1 1 1    7   11   31 o   34.779   1.0409  1181.52   69.178  1282.98  109.536  1114.20   89.223   35.959   1.5692   33.599   1.3680 2.360714 2.081795 
1 1 1    7   11   32 o   8.8654   2.6887   33.038   82.436 -12.8807  137.788   58.638  102.880   8.6869   3.9060   9.0439   3.6960 -0.3569355 5.377461 
1 1 1    7   12    0 o   95.674   0.9361  8884.34  173.823  8810.28  242.966  8962.00  248.782   95.266   1.3138   96.082   1.3339 -0.8165054 1.872264 
1 1 1    7   12    1 o  293.745   1.3788 83772.20  786.179 84839.41  1117.81 82727.54  1105.93  295.596   1.9481  291.894   1.9518 3.702484 2.757637 
1 1 1    7   12    2 o  219.795   1.1554 46899.15  492.957 46684.30  694.894 47116.81  699.422  219.289   1.6324  220.302   1.6355 -1.013382 2.310797 
1 1 1    7   12    3 o  246.602   1.2786 59090.16  607.579 59467.21  813.045 58613.30  914.340  247.498   1.6923  245.706   1.9170 1.791382 2.557117 
1 1 1    7   12    4 o  340.500   1.4847 112637.00  979.595 113842.00  1349.95 111296.80  1423.71  342.428   2.0309  338.572   2.1662 3.856323 2.969337 
1 1 1    7   12    5 o  314.729   1.3747 96182.84  837.883 96440.95  1147.03 95887.55  1226.89  315.184   1.8748  314.273   2.0111 0.9108887 2.749401 
1 1 1    7   12    6 o   69.917   0.6041  4741.09   81.954  4896.55  117.876  4595.63  114.021   71.026   0.8550   68.809   0.8536 2.217049 1.208162 
1 1 1    7   12    7 o  118.210   0.8982 13562.20  206.075 13441.91  288.672 13687.21  294.278  117.676   1.2637  118.745   1.2767 -1.068741 1.796350 
1 1 1    7   12    8 o  272.093   1.2241 71882.62  643.544 71784.54  956.837 71963.63  869.618  271.921   1.8127  272.266   1.6454 -0.3451538 2.448118 
1 1 1    7   12    9 o  326.938   1.3110 103812.60  827.701 103388.40  1233.60 104159.90  1116.27  326.326   1.9474  327.551   1.7556 -1.224731 2.621933 
1 1 1    7   12   10 o   60.184   0.7126  3512.76   79.583  3505.16   98.911  3526.74  134.020   60.093   0.8479   60.276   1.1454 -0.1829872 1.425111 
1 1 1    7   12   11 o  119.934   0.8618 13967.70  200.441 13852.39  289.200 14074.30  278.060  119.457   1.2472  120.411   1.1896 -0.9538498 1.723545 
1 1 1    7   12   12 f  135.451   1.0138 17823.34  264.797 17715.58  397.372 17909.41  355.136  135.081   1.5154  135.822   1.3470 -0.7413177 2.027536 
1 1 1    7   12   13 f  169.591   1.2996 27903.26  427.548 28699.33  618.540 27174.92  591.645  171.904   1.8536  167.278   1.8220 4.626099 2.599160 
1 1 1    7   12   14 o  141.236   0.9884 19369.22  270.977 19439.58  385.037 19300.17  381.427  141.490   1.4019  140.982   1.3937 0.5078735 1.976818 
1 1 1    7   12   15 o   21.401   1.0838  446.976   44.507  429.315   67.557  460.520   59.161   21.024   1.6553   21.777   1.3995 -0.7527618 2.167616 
1 1 1    7   12   16 o  144.809   1.0940 20364.78  307.433 20565.30  440.769 20174.80  429.020  145.502   1.5605  144.116   1.5336 1.385986 2.187944 
1 1 1    7   12   17 o   97.710   0.8442  9271.77  160.110  9286.73  228.186  9257.26  224.712   97.787   1.2021   97.632   1.1857 0.1544342 1.688465 
1 1 1    7   12   18 f   41.063   0.7171  1639.05   57.095  1595.30   82.085  1680.06   79.467   40.531   1.0433   41.595   0.9842 -1.063988 1.434262 
1 1 1    7   12   19 o  132.507   1.0533 17064.21  270.925 17125.12  383.519 17003.54  382.772  132.743   1.4884  132.271   1.4908 0.4723206 2.106568 
1 1 1    7   12   20 o   77.234   0.7858  5792.50  117.783  5610.90  165.123  5980.61  168.055   76.002   1.1192   78.467   1.1033 -2.464836 1.571617 
1 1 1    7   12   21 o  101.796   0.9505 10070.99  187.827 10026.21  265.504 10115.86  265.750  101.569   1.3466  102.022   1.3419 -0.4535599 1.901057 
1 1 1    7   12   22 o   23.544   1.2359  546.741   55.722  476.705   82.216  606.243   75.782   22.125   1.9143   24.964   1.5638 -2.839569 2.471874 
1 1 1    7   12   23 o   29.247   1.2779  843.780   69.751  874.137   88.231  793.192  113.899   29.973   1.5165   28.521   2.0572 1.451525 2.555757 
1 1 1    7   12   24 o   41.870   0.8754  1714.77   70.435  1626.02  105.863  1785.27   94.349   40.886   1.3338   42.854   1.1342 -1.968166 1.750842 
1 1 1    7   12   25 f   71.683   0.8247  4998.01  114.451  5003.35  168.202  4993.40  156.182   71.713   1.2083   71.653   1.1229 0.5982971E-01 1.649476 
1 1 1    7   12   26 o   22.534   1.4854  489.198   64.371  590.203   98.230  413.180   85.218   24.541   2.0620   20.526   2.1387 4.015076 2.970832 
1 1 1    7   12   27 o   45.450   0.8548  2015.01   75.286  1995.56  109.487  2032.45  103.690   45.235   1.2469   45.664   1.1698 -0.4293098 1.709693 
1 1 1    7   12   28 o   18.633   1.6603  339.953   59.294  375.702   93.081  315.540   76.920   19.423   2.4688   17.843   2.2207 1.579618 3.320615 
1 1 1    7   12   29 o   23.582   1.3416  541.492   59.983  597.716   97.611  507.380   76.032   24.504   2.0521   22.659   1.7286 1.845264 2.683103 
1 1 1    7   12   30 o   46.615   0.8842  2137.23   79.620  2088.31  117.794  2178.39  108.037   46.095   1.3165   47.136   1.1807 -1.041157 1.768401 
1 1 1    7   12   31 o   16.177   2.1319  272.506   64.693  373.581   99.071  197.367   85.419   18.997   2.6865   13.357   3.3110 5.640094 4.263824 
1 1 1    7   12   32 o   9.4010   2.7944   49.032   85.966   92.409  132.205   17.255  113.156   10.337   4.2031   8.4650   3.6836 1.872007 5.588828 
1 1 1    7   13    0 o  237.503   1.1860 54762.68  546.780 54723.39  770.844 54802.46  775.706  237.417   1.6726  237.588   1.6819 -0.1710968 2.372012 
1 1 1    7   13    1 o   81.924   0.6430  6514.54  102.258  6495.90  144.288  6533.34  144.944   81.806   0.9086   82.042   0.9101 -0.2354355 1.286042 
1 1 1    7   13    2 f  165.748   1.0468 26624.01  335.282 26212.01  451.552 27130.25  500.544  164.322   1.4156  167.173   1.5424 -2.850891 2.093587 
1 1 1    7   13    3 o   28.082   0.4632  765.431   25.249  750.280   35.629  780.718   35.788   27.803   0.6602   28.361   0.6501 -0.5583820 0.9264885 
1 1 1    7   13    4 o  403.982   1.6074 158428.80  1260.37 160143.80  1799.16 156776.20  1766.16  406.128   2.2821  401.836   2.2642 4.291779 3.214769 
1 1 1    7   13    5 o  236.447   1.1928 54273.87  547.489 54538.77  773.089 54007.36  775.449  237.026   1.6802  235.868   1.6936 1.157928 2.385695 
1 1 1    7   13    6 o  167.261   1.0242 27157.47  332.530 27183.55  469.042 27131.12  471.504  167.342   1.4439  167.180   1.4529 0.1616058 2.048363 
1 1 1    7   13    7 o  270.183   1.2777 70849.29  669.970 69922.09  936.089 71823.02  959.300  268.372   1.7969  271.994   1.8169 -3.622833 2.555351 
1 1 1    7   13    8 o  197.789   1.0806 38012.87  413.855 37435.08  604.431 38522.81  567.839  196.372   1.5856  199.207   1.4684 -2.835342 2.161144 
1 1 1    7   13    9 o  345.239   1.3350 115772.50  889.917 115198.20  1327.40 116241.40  1199.38  344.455   1.9852  346.022   1.7856 -1.567139 2.670101 
1 1 1    7   13   10 o  124.698   0.8678 15102.30  209.859 14885.20  302.047 15304.89  291.789  123.830   1.2566  125.565   1.1971 -1.734436 1.735516 
1 1 1    7   13   11 o  324.494   1.3406 102133.40  839.115 103185.00  1262.49 101301.20  1123.08  325.982   1.9951  323.006   1.7912 2.975311 2.681191 
1 1 1    7   13   12 o  165.119   1.0230 26488.60  327.283 26150.14  476.124 26791.76  450.624  164.116   1.4945  166.121   1.3974 -2.004410 2.046063 
1 1 1    7   13   13 o   99.765   0.7943  9662.87  153.817  9681.46  216.880  9644.06  218.186   99.862   1.1188   99.669   1.1277 0.1932526 1.588546 
1 1 1    7   13   14 o   95.344   0.7751  8825.43  143.405  8834.88  205.495  8816.45  200.219   95.393   1.1097   95.295   1.0824 0.9888458E-01 1.550165 
1 1 1    7   13   15 o  156.261   1.0467 23710.77  317.491 24039.90  451.067 23387.61  446.962  157.336   1.4769  155.186   1.4837 2.149658 2.093475 
1 1 1    7   13   16 o   77.373   0.7232  5805.36  108.511  5974.79  157.696  5653.00  149.544   78.444   1.0356   76.303   1.0096 2.140915 1.446321 
1 1 1    7   13   17 o   88.665   0.7790  7635.74  134.047  7538.52  190.779  7730.54  188.385   88.107   1.1155   89.223   1.0877 -1.116234 1.557989 
1 1 1    7   13   18 o   66.713   0.6859  4319.54   88.740  4371.33  128.581  4272.45  122.626   67.094   0.9872   66.332   0.9523 0.7620544 1.371716 
1 1 1    7   13   19 o  177.503   1.3832 30652.41  476.596 30841.41  673.343 30462.66  674.676  178.053   1.9481  176.953   1.9641 1.100006 2.766420 
1 1 1    7   13   20 f   86.499   0.8388  7268.37  140.819  7288.54  200.992  7248.92  197.355   86.616   1.1954   86.382   1.1770 0.2345047 1.677561 
1 1 1    7   13   21 f   69.304   0.7684  4664.00  103.352  4769.25  147.936  4563.66  144.449   70.067   1.0877   68.540   1.0857 1.526733 1.536791 
1 1 1    7   13   22 o   79.759   0.8136  6178.02  125.896  6293.59  181.802  6071.54  174.508   80.474   1.1638   79.044   1.1373 1.430145 1.627240 
1 1 1    7   13   23 o   74.348   0.8137  5372.15  117.402  5403.43  168.437  5342.60  163.725   74.557   1.1638   74.138   1.1376 0.4183807 1.627490 
1 1 1    7   13   24 o   42.633   1.2078  1787.66   98.536  1653.77  149.213  1891.20  131.218   41.189   1.8662   44.077   1.5336 -2.888622 2.415514 
1 1 1    7   13   25 o   28.247   1.1978  767.612   65.098  857.946  100.565  702.458   85.406   29.654   1.7470   26.841   1.6392 2.812929 2.395650 
1 1 1    7   13   26 o   41.084   0.9046  1644.50   71.481  1644.57  108.667  1644.45   94.904   41.074   1.3629   41.093   1.1897 -0.1967621E-01 1.809138 
1 1 1    7   13   27 o   32.113   1.0693  1002.22   65.729  1042.91  102.696  973.979   85.546   32.644   1.6206   31.581   1.3954 1.063515 2.138613 
1 1 1    7   13   28 o   6.7060   2.0637 -29.3283   55.177 -125.3923   87.781   33.419   70.945   5.6472   2.7177   7.7649   3.1065 -2.117686 4.127460 
1 1 1    7   13   29 o   26.096   1.2657  675.462   62.989  666.463   98.329  681.724   82.030   25.899   1.9558   26.293   1.6072 -0.3938656 2.531467 
1 1 1    7   13   30 o   18.125   1.9590  347.328   65.448  304.302  100.000  379.568   86.563   16.857   3.1724   19.393   2.2994 -2.535860 3.918054 
1 1 1    7   13   31 o   18.092   1.9302  339.103   67.398  347.745  101.301  332.240   90.277   18.240   2.8611   17.944   2.5918 0.2958889 3.860497 
1 1 1    7   13   32 o   8.2617   2.6383 -37.0576   90.488   40.298  137.413 -96.2840  120.238   9.4649   4.0888   7.0584   3.3354 2.406553 5.276679 
1 1 1    7   14    0 o  218.334   1.1429 46270.59  484.320 45834.63  678.619 46723.16  691.424  217.286   1.6089  219.382   1.6236 -2.095581 2.285743 
1 1 1    7   14    1 o   52.530   0.4885  2678.63   49.782  2686.00   69.346  2670.79   71.510   52.605   0.6791   52.456   0.7023 0.1491737 0.9769108 
1 1 1    7   14    2 o  257.465   1.2845 64335.17  639.249 64146.29  864.447 64563.09  949.612  257.051   1.7324  257.879   1.8970 -0.8280640 2.569017 
1 1 1    7   14    3 o  315.024   1.3244 96340.63  809.875 96046.55  1138.49 96641.88  1152.30  314.538   1.8646  315.510   1.8814 -0.9726257 2.648892 
1 1 1    7   14    4 o  375.737   1.5841 137042.20  1155.12 135931.09  1612.76 138212.59  1655.25  374.175   2.2204  377.299   2.2600 -3.124878 3.168250 
1 1 1    7   14    5 o  449.693   1.6634 196344.80  1452.00 196229.59  2044.03 196462.20  2062.97  449.560   2.3423  449.825   2.3626 -0.2649841 3.326840 
1 1 1    7   14    6 o   43.426   0.4879  1827.26   41.072  1774.05   56.314  1887.73   60.034   42.752   0.6786   44.101   0.7013 -1.348412 0.9758233 
1 1 1    7   14    7 o  113.155   0.8178 12428.84  179.643 12441.33  253.913 12416.32  254.195  113.212   1.1554  113.098   1.1578 0.1138535 1.635690 
1 1 1    7   14    8 o  230.596   1.2101 51615.48  541.556 51261.86  757.547 51985.08  774.487  229.789   1.6983  231.404   1.7242 -1.614471 2.420117 
1 1 1    7   14    9 o  153.153   0.9813 22756.28  291.181 22982.68  426.198 22558.10  398.754  153.866   1.4269  152.439   1.3475 1.426315 1.962655 
1 1 1    7   14   10 o  171.803   1.0293 28654.18  342.500 28647.40  501.605 28660.10  468.796  171.783   1.5042  171.823   1.4055 -0.4035950E-01 2.058694 
1 1 1    7   14   11 o   96.648   0.7615  9067.97  142.812  9050.88  204.849  9084.12  199.202   96.560   1.0929   96.737   1.0608 -0.1775665 1.523053 
1 1 1    7   14   12 o  231.941   1.2490 52235.20  562.329 52708.18  799.140 51771.29  791.424  232.981   1.7670  230.902   1.7657 2.079834 2.497997 
1 1 1    7   14   13 o   28.730   0.8070  799.757   44.956  768.883   61.785  834.496   65.537   28.142   1.1310   29.318   1.1516 -1.176029 1.614079 
1 1 1    7   14   14 o   87.502   0.7571  7435.69  128.565  7263.60  182.476  7605.31  181.166   86.496   1.0868   88.508   1.0545 -2.011955 1.514261 
1 1 1    7   14   15 o  116.534   0.9055 13185.75  204.537 13201.67  297.417 13171.46  281.737  116.599   1.3140  116.468   1.2462 0.1307144 1.810962 
1 1 1    7   14   16 o   51.721   0.8284  2646.58   76.324  2473.30  136.572  2725.28   92.038   50.461   1.3942   52.981   0.8949 -2.519878 1.656742 
1 1 1    7   14   17 o   54.185   0.6642  2842.45   69.635  2949.66  103.421  2753.53   94.184   55.116   0.9666   53.253   0.9111 1.862637 1.328345 
1 1 1    7   14   18 o   57.779   0.6674  3223.10   74.545  3439.45  111.763  3049.72  100.050   59.515   0.9674   56.043   0.9197 3.471928 1.334789 
1 1 1    7   14   19 o   87.220   0.9936  7461.40  161.608  7651.00  203.570  7138.26  265.763   88.748   1.1817   85.692   1.5977 3.055504 1.987177 
1 1 1    7   14   20 o   61.925   0.8841  3738.17  102.313  3772.23  128.679  3679.63  168.701   62.319   1.0637   61.531   1.4124 0.7873497 1.768146 
1 1 1    7   14   21 o   62.830   0.7555  3832.49   92.103  3911.22  132.730  3759.37  127.911   63.452   1.0776   62.209   1.0592 1.242947 1.511027 
1 1 1    7   14   22 o   20.316   1.4212  399.331   55.846  446.248   82.844  360.250   75.609   21.403   1.9940   19.229   2.0256 2.173689 2.842371 
1 1 1    7   14   23 o   51.273   0.7935  2552.35   78.915  2623.78  114.456  2487.62  108.954   51.955   1.1349   50.591   1.1094 1.364494 1.587065 
1 1 1    7   14   24 o   87.622   0.8787  7467.17  149.431  7431.56  212.981  7501.69  209.711   87.415   1.2551   87.830   1.2300 -0.4150085 1.757366 
1 1 1    7   14   25 o   59.951   0.9410  3499.99  107.075  3501.54  137.718  3497.62  170.261   59.987   1.1827   59.914   1.4639 0.7393265E-01 1.881981 
1 1 1    7   14   26 o   15.248   2.2293  237.372   63.209  251.663   97.450  226.992   83.050   15.614   3.3175   14.882   2.9789 0.7324095 4.458638 
1 1 1    7   14   27 o   70.421   0.8168  4835.84  111.413  4807.01  162.685  4861.30  152.893   70.213   1.1936   70.629   1.1152 -0.4161224 1.633505 
1 1 1    7   14   28 o   11.088   2.4821  125.301   59.018  125.378   94.361  125.251   75.639   11.185   3.7181   10.990   3.2891 0.1951303 4.964143 
1 1 1    7   14   29 o   11.639   2.4548  146.771   61.005  104.688   94.980  176.323   79.592   10.446   3.7193   12.833   3.2047 -2.386897 4.909554 
1 1 1    7   14   30 o   19.112   1.7859  364.750   65.539  447.213  100.496  303.722   86.454   20.975   2.4682   17.249   2.5820 3.726213 3.571901 
1 1 1    7   14   31 o   10.196   2.5328   98.800   68.181   17.382  101.501  165.745   92.038   8.2428   3.5371   12.150   3.6264 -3.907024 5.065694 
1 1 1    7   14   32 o   13.504   3.0623  214.039   93.287  308.266  141.452  141.510  124.101   15.699   4.4420   11.309   4.2165 4.390102 6.124550 
1 1 1    7   15    0 o  304.065   1.4017 89741.63  827.132 88872.49  1154.50 90658.21  1185.60  302.554   1.9657  305.577   1.9987 -3.022949 2.803399 
1 1 1    7   15    1 o  228.185   1.2278 50484.51  540.342 50001.41  722.519 51097.60  813.940  226.951   1.6400  229.419   1.8277 -2.468842 2.455622 
1 1 1    7   15    2 o   54.668   0.5023  2900.73   53.306  2919.01   75.476  2882.53   75.298   54.839   0.7090   54.496   0.7118 0.3437767 1.004657 
1 1 1    7   15    3 o  194.209   1.0975 36606.34  413.699 36178.68  579.532 37050.73  590.747  193.053   1.5465  195.365   1.5577 -2.312607 2.194994 
1 1 1    7   15    4 o  134.790   0.9053 17620.81  236.762 17181.58  328.455 18095.89  341.598  133.043   1.2718  136.537   1.2888 -3.493835 1.810687 
1 1 1    7   15    5 o  201.605   1.1199 39456.09  438.268 39510.71  618.190 39400.90  621.433  201.745   1.5785  201.464   1.5890 0.2807617 2.239814 
1 1 1    7   15    6 o  279.936   1.2926 76080.59  702.366 76313.30  989.692 75844.47  996.939  280.368   1.8185  279.505   1.8374 0.8632813 2.585158 
1 1 1    7   15    7 o   99.125   0.7610  9535.17  146.401  9398.32  204.815  9678.15  209.344   98.398   1.0723   99.852   1.0800 -1.454041 1.521928 
1 1 1    7   15    8 o   72.166   0.6338  5054.66   88.779  5014.00  124.798  5096.32  126.322   71.872   0.8945   72.460   0.8981 -0.5875702 1.267553 
1 1 1    7   15    9 o  299.749   1.2856 87212.51  744.066 87448.34  1111.83 87021.23  1001.36  300.111   1.9085  299.387   1.7230 0.7241211 2.571216 
1 1 1    7   15   10 o  325.196   1.3328 102722.10  837.088 102230.80  1246.65 103125.50  1129.62  324.482   1.9792  325.910   1.7855 -1.428436 2.665594 
1 1 1    7   15   11 o  105.586   0.9509 10873.81  187.661 10632.63  308.828 11015.00  236.290  104.649   1.5202  106.522   1.1427 -1.872124 1.901834 
1 1 1    7   15   12 o   85.752   0.8459  7129.37  134.675  7170.79  226.672  7106.77  167.430   85.941   1.3587   85.562   1.0081 0.3787155 1.691840 
1 1 1    7   15   13 o  121.965   0.8755 14442.65  207.111 14448.14  299.138 14437.58  287.034  121.986   1.2633  121.943   1.2126 0.4285431E-01 1.751059 
1 1 1    7   15   14 o  133.314   0.9666 17255.17  250.121 17069.69  351.149 17446.20  356.357  132.587   1.3643  134.041   1.3696 -1.454071 1.933174 
1 1 1    7   15   15 o   44.589   0.6577  1925.58   56.492  1966.56   85.778  1894.20   75.072   45.006   0.9818   44.172   0.8755 0.8344994 1.315499 
1 1 1    7   15   16 o  166.597   1.0988 26964.28  355.358 27093.63  503.634 26836.04  501.476  166.995   1.5536  166.199   1.5544 0.7958374 2.197690 
1 1 1    7   15   17 o  130.176   1.0051 16466.21  253.822 16363.00  364.710 16563.15  353.470  129.779   1.4477  130.574   1.3945 -0.7958984 2.010118 
1 1 1    7   15   18 o   71.981   0.7365  5030.91  102.907  4970.91  144.380  5092.85  146.713   71.545   1.0396   72.417   1.0437 -0.8720474 1.473089 
1 1 1    7   15   19 o  109.982   0.9356 11753.57  199.736 11646.80  283.156 11859.32  281.788  109.484   1.3323  110.480   1.3139 -0.9960403 1.871240 
1 1 1    7   15   20 o  177.909   1.5461 30813.01  533.885 31281.06  763.316 30364.76  747.004  179.230   2.1940  176.589   2.1792 2.640671 3.092300 
1 1 1    7   15   21 o   70.583   0.7685  4841.16  105.271  4763.46  149.732  4917.10  148.034   70.022   1.1016   71.144   1.0719 -1.122070 1.537029 
1 1 1    7   15   22 o   76.658   0.8042  5708.73  119.640  5775.73  171.738  5645.57  166.764   77.094   1.1476   76.222   1.1271 0.8720093 1.608486 
1 1 1    7   15   23 o   20.895   1.4832  428.442   59.757  396.039   87.547  456.707   81.767   20.144   2.2389   21.646   1.9459 -1.502632 2.966361 
1 1 1    7   15   24 o   55.111   0.7988  2950.19   85.226  2987.84  125.578  2918.04  116.042   55.433   1.1670   54.788   1.0911 0.6451378 1.597627 
1 1 1    7   15   25 f   95.600   0.9357  8899.12  173.593  8953.42  249.024  8847.79  242.116   95.880   1.3380   95.320   1.3085 0.5601120 1.871455 
1 1 1    7   15   26 o   66.856   0.8130  4354.37  105.433  4311.39  151.503  4394.73  146.818   66.532   1.1731   67.181   1.1258 -0.6492767 1.625906 
1 1 1    7   15   27 f   40.109   1.1952  1580.66   82.973  1566.72  158.012  1585.97   97.496   39.899   2.0402   40.318   1.2457 -0.4191628 2.390408 
1 1 1    7   15   28 o   31.823   1.1180  990.709   68.176  1021.80  105.892  968.696   89.099   32.219   1.6931   31.427   1.4605 0.7923565 2.235981 
1 1 1    7   15   29 o   43.680   0.8987  1863.35   75.695  1930.27  114.672  1811.68  100.769   44.351   1.3320   43.009   1.2070 1.341797 1.797471 
1 1 1    7   15   30 o   8.2588   2.4282   30.759   64.010   24.983   96.372   35.318   85.625   8.3189   3.5029   8.1987   3.3636 0.1201916 4.856357 
1 1 1    7   15   31 o   12.104   2.8304  160.443   77.486  125.629  102.841  206.158  117.847   10.898   3.8713   13.310   4.1301 -2.412249 5.660780 
1 1 1    7   16    0 o  113.196   0.9143 12453.72  196.543 12514.78  253.270 12361.28  311.624  113.547   1.1491  112.845   1.4226 0.7012024 1.828695 
1 1 1    7   16    1 o  179.528   1.0557 31286.67  367.890 31244.16  518.148 31329.89  522.429  179.405   1.4878  179.651   1.4981 -0.2457886 2.111362 
1 1 1    7   16    2 o  351.713   1.4994 120113.40  1021.22 120317.20  1397.11 119879.60  1496.44  352.037   2.0444  351.389   2.1938 0.6477966 2.998780 
1 1 1    7   16    3 o  325.298   1.3428 102700.10  847.723 101511.70  1182.66 103956.00  1215.75  323.364   1.8841  327.233   1.9139 -3.868774 2.685677 
1 1 1    7   16    4 o  169.993   1.0324 28052.00  340.677 28162.79  481.071 27940.54  482.514  170.329   1.4550  169.656   1.4651 0.6735840 2.064833 
1 1 1    7   16    5 f  363.446   1.4578 128220.40  1025.96 127862.30  1401.55 128633.80  1505.91  362.904   1.9895  363.989   2.1313 -1.085419 2.915602 
1 1 1    7   16    6 o  477.608   1.7127 221365.30  1586.51 218414.91  2192.21 224609.80  2298.91  474.272   2.3812  480.944   2.4624 -6.671478 3.425412 
1 1 1    7   16    7 o  318.449   1.3643 98457.01  843.328 98667.19  1190.60 98245.38  1194.70  318.790   1.9240  318.108   1.9347 0.6826782 2.728516 
1 1 1    7   16    8 o   73.993   0.6474  5314.34   92.977  5315.72  132.415  5313.00  130.583   74.003   0.9218   73.984   0.9093 0.1886749E-01 1.294763 
1 1 1    7   16    9 o  136.052   0.9486 17968.83  250.530 17962.66  354.660 17974.97  353.947  136.029   1.3431  136.076   1.3400 -0.4666138E-01 1.897231 
1 1 1    7   16   10 o  339.741   1.3559 112092.00  889.319 111910.70  1328.49 112239.20  1197.12  339.485   2.0159  339.997   1.8138 -0.5125122 2.711808 
1 1 1    7   16   11 f  362.000   1.4010 127192.70  977.864 127820.00  1472.36 126697.70  1308.00  362.788   2.0907  361.213   1.8654 1.574310 2.801954 
1 1 1    7   16   12 o  172.724   1.1503 28959.81  384.511 29100.41  566.848 28839.98  523.317  173.109   1.6869  172.339   1.5643 0.7701569 2.300545 
1 1 1    7   16   13 o   76.593   0.6833  5693.54  101.567  5624.84  141.777  5765.98  145.575   76.118   0.9595   77.067   0.9731 -0.9488068 1.366585 
1 1 1    7   16   14 o   43.052   0.7718  1825.98   62.489  1916.64   80.218  1686.07   99.658   44.433   0.9300   41.672   1.2320 2.761433 1.543622 
1 1 1    7   16   15 o   93.742   0.7735  8534.33  140.717  8355.42  199.577  8711.20  198.437   92.764   1.1083   94.719   1.0792 -1.955391 1.546976 
1 1 1    7   16   16 o   96.585   0.8236  9050.15  154.237  9241.41  224.546  8879.31  212.222   97.549   1.1858   95.621   1.1433 1.928207 1.647232 
1 1 1    7   16   17 o  112.164   0.9059 12227.96  197.065 12009.88  283.230 12432.61  274.366  111.191   1.3122  113.136   1.2493 -1.944344 1.811803 
1 1 1    7   16   18 o   77.591   1.0427  5854.39  156.871  5752.38  226.098  5949.08  217.831   76.936   1.5139   78.246   1.4342 -1.309441 2.085361 
1 1 1    7   16   19 o   53.259   0.7064  2752.64   72.982  2810.06  105.615  2700.17  100.967   53.790   1.0115   52.729   0.9864 1.061413 1.412847 
1 1 1    7   16   20 o   85.535   0.8412  7108.13  139.642  7102.82  199.191  7113.26  195.819   85.502   1.2001   85.567   1.1789 -0.6430054E-01 1.682305 
1 1 1    7   16   21 o   67.076   0.7564  4372.69   98.443  4255.72  139.807  4487.71  138.638   66.184   1.0882   67.967   1.0508 -1.782310 1.512733 
1 1 1    7   16   22 o   49.719   0.7809  2395.79   75.252  2514.65  110.236  2292.06  102.980   50.871   1.1163   48.568   1.0923 2.302345 1.561814 
1 1 1    7   16   23 o   50.295   0.7994  2462.99   77.839  2390.11  113.273  2528.19  107.145   49.586   1.1768   51.004   1.0822 -1.418285 1.598754 
1 1 1    7   16   24 o   45.363   0.8553  2006.91   74.957  1936.29  110.405  2067.29  102.093   44.615   1.2748   46.110   1.1406 -1.494778 1.710583 
1 1 1    7   16   25 o   52.130   0.8177  2644.54   82.513  2647.79  121.320  2641.75  112.555   52.155   1.1983   52.105   1.1128 0.4911804E-01 1.635332 
1 1 1    7   16   26 o   49.236   0.8411  2361.74   80.231  2363.35  117.189  2360.31  110.072   49.246   1.2259   49.226   1.1519 0.2007675E-01 1.682158 
1 1 1    7   16   27 o   19.287   1.7435  363.161   64.137  471.104   96.790  278.659   85.638   21.833   2.2838   16.742   2.6351 5.091063 3.487039 
1 1 1    7   16   28 o   30.236   1.1461  897.287   66.383  911.617  102.881  887.066   86.891   30.411   1.7428   30.061   1.4890 0.3500328 2.292248 
1 1 1    7   16   29 o   24.102   1.4282  572.893   66.266  619.548  101.824  538.615   87.279   24.920   2.1049   23.285   1.9309 1.634418 2.856436 
1 1 1    7   16   30 o   40.687   0.9712  1629.61   76.360  1654.03  113.882  1609.67  102.926   40.936   1.4331   40.438   1.3112 0.4978104 1.942430 
1 1 1    7   16   31 o   7.9942   2.5124 -10.5182   77.871  -9.9520  105.331 -11.2006  115.643   7.8352   3.4760   8.1533   3.6284 -0.3181067 5.024708 
1 1 1    7   17    0 o  158.564   0.9934 24407.20  305.757 24701.10  432.329 24113.09  432.482  159.519   1.3962  157.609   1.4136 1.910355 1.986828 
1 1 1    7   17    1 o   46.456   0.6027  2094.56   54.347  2108.49   77.486  2081.08   76.245   46.608   0.8564   46.304   0.8483 0.3039665 1.205421 
1 1 1    7   17    2 o  108.576   0.8082 11441.13  170.316 11587.76  242.729 11298.93  239.039  109.261   1.1444  107.891   1.1414 1.370224 1.616302 
1 1 1    7   17    3 o  152.601   0.9718 22604.91  287.875 22545.95  406.583 22664.19  407.653  152.402   1.3743  152.801   1.3744 -0.3990784 1.943623 
1 1 1    7   17    4 o  119.478   0.8489 13853.70  196.843 13737.33  274.879 13976.20  282.014  118.963   1.1903  119.993   1.2107 -1.029633 1.697871 
1 1 1    7   17    5 o  278.347   1.2957 75210.55  700.016 74667.34  982.896 75769.67  997.204  277.327   1.8258  279.366   1.8388 -2.039124 2.591302 
1 1 1    7   17    6 o  108.216   0.9364 11382.44  191.246 11430.41  243.736 11305.60  308.489  108.515   1.1571  107.918   1.4726 0.5976257 1.872797 
1 1 1    7   17    7 o   74.854   0.6428  5438.37   93.395  5473.98  132.808  5403.52  131.366   75.096   0.9110   74.612   0.9070 0.4849014 1.285558 
1 1 1    7   17    8 o  193.739   1.1517 36439.86  433.139 36409.80  611.090 36470.21  614.023  193.659   1.6256  193.819   1.6320 -0.1604156 2.303453 
1 1 1    7   17    9 o  294.895   1.3500 84434.45  772.790 84466.43  1089.60 84402.07  1096.21  294.952   1.9030  294.839   1.9153 0.1130676 2.700021 
1 1 1    7   17   10 o  175.515   1.0742 29850.27  364.871 30619.36  540.232 29205.17  494.772  177.588   1.5671  173.442   1.4696 4.146301 2.148358 
1 1 1    7   17   11 o  236.688   1.2544 54395.89  576.251 54255.24  806.921 54542.27  823.208  236.377   1.7586  237.000   1.7894 -0.6225433 2.508859 
1 1 1    7   17   12 o  144.502   1.0276 20277.71  287.670 20236.50  420.050 20314.10  394.777  144.361   1.4989  144.642   1.4060 -0.2804718 2.055172 
1 1 1    7   17   13 o   25.471   0.8487  628.529   41.916  661.905   61.019  598.706   57.680   26.110   1.2039   24.832   1.1966 1.277699 1.697413 
1 1 1    7   17   14 o   79.887   0.7459  6195.02  115.657  6057.08  162.547  6336.46  164.598   78.986   1.0601   80.788   1.0496 -1.801300 1.491813 
1 1 1    7   17   15 o  200.243   1.4087 39010.63  544.627 38599.16  811.150 39348.40  734.918  199.265   2.0970  201.221   1.8815 -1.955307 2.817361 
1 1 1    7   17   16 o  173.202   1.1020 29148.03  369.845 29124.51  539.198 29168.93  508.253  173.130   1.6044  173.273   1.5111 -0.1427460 2.203951 
1 1 1    7   17   17 o   99.291   0.8245  9577.72  158.853  9470.78  227.151  9680.07  222.235   98.747   1.1850   99.835   1.1467 -1.087311 1.649023 
1 1 1    7   17   18 o   58.505   0.8035  3304.80   88.296  3247.83  111.113  3402.43  145.448   57.830   0.9898   59.180   1.2661 -1.349583 1.607087 
1 1 1    7   17   19 o   28.446   0.9793  787.875   53.590  774.527   81.055  798.242   71.430   28.229   1.4792   28.663   1.2838 -0.4338284 1.958578 
1 1 1    7   17   20 f   65.556   0.7435  4177.50   94.545  4061.92  135.013  4288.71  132.438   64.665   1.0756   66.448   1.0268 -1.783195 1.486975 
1 1 1    7   17   21 o   33.387   0.9262  1089.07   59.723  994.198   86.190  1176.70   82.832   31.978   1.3885   34.796   1.2263 -2.818001 1.852497 
1 1 1    7   17   22 o   17.159   1.7114  287.283   56.964  302.775   81.523  272.502   79.629   17.612   2.3845   16.706   2.4555 0.9064846 3.422792 
1 1 1    7   17   23 o   55.520   0.7871  2995.01   84.695  3015.01  123.498  2977.25  116.373   55.693   1.1423   55.348   1.0831 0.3456841 1.574209 
1 1 1    7   17   24 o   86.598   0.8752  7296.10  147.085  7227.29  209.574  7362.88  206.479   86.194   1.2526   87.003   1.2226 -0.8094788 1.750308 
1 1 1    7   17   25 o   72.483   0.8134  5115.29  114.258  5081.35  166.142  5145.74  157.385   72.249   1.1846   72.717   1.1150 -0.4685593 1.626805 
1 1 1    7   17   26 o   12.868   2.3534  168.850   61.604  241.406   89.281  102.915   85.110   15.303   3.1115   10.434   3.5316 4.869409 4.706722 
1 1 1    7   17   27 o   27.898   1.2059  758.928   65.104  840.073   96.280  690.568   88.370   29.266   1.6948   26.531   1.7159 2.735142 2.411750 
1 1 1    7   17   28 o   11.717   2.4101  147.197   61.905   75.524   94.590  200.894   81.874   9.6570   3.6637   13.777   3.1323 -4.119886 4.820217 
1 1 1    7   17   29 o   27.784   1.2537  762.184   67.190  784.853  101.485  744.492   89.653   28.123   1.8590   27.445   1.6828 0.6783562 2.507499 
1 1 1    7   17   30 o   22.851   2.1299  591.057   77.886  460.550  145.445  643.528   92.224   20.328   3.8262   25.375   1.8723 -5.046522 4.259774 
1 1 1    7   17   31 o   18.241   2.7149  397.065   92.070  305.595  148.402  454.305  117.395   15.760   4.5788   20.721   2.9186 -4.961585 5.429828 
1 1 1    7   18    0 o  171.694   1.0275 28615.77  342.462 28641.18  482.945 28590.07  485.695  171.771   1.4484  171.617   1.4579 0.1535034 2.055088 
1 1 1    7   18    1 o  195.762   1.1038 37200.65  419.448 37090.30  590.826 37312.78  595.581  195.469   1.5571  196.055   1.5649 -0.5852051 2.207624 
1 1 1    7   18    2 o  128.231   0.9113 15973.29  226.432 16174.37  312.000 15749.52  329.131  129.084   1.2451  127.377   1.3311 1.707520 1.822693 
1 1 1    7   18    3 o  366.565   1.5305 130478.30  1086.51 130713.90  1487.34 130208.60  1590.99  366.924   2.0882  366.206   2.2381 0.7183838 3.060977 
1 1 1    7   18    4 o  226.070   1.1867 49615.22  520.768 49609.08  734.548 49621.41  738.422  226.057   1.6739  226.084   1.6826 -0.2786255E-01 2.373403 
1 1 1    7   18    5 o  121.548   0.8580 14335.44  202.387 14116.89  282.135 14567.12  290.485  120.594   1.2052  122.502   1.2216 -1.907753 1.716029 
1 1 1    7   18    6 o   78.035   0.6665  5910.89  100.951  5907.14  143.394  5914.57  142.146   78.011   0.9469   78.060   0.9381 -0.4912567E-01 1.332905 
1 1 1    7   18    7 o  155.191   0.9989 23375.50  300.877 23107.44  421.438 23654.17  429.691  154.284   1.4072  156.098   1.4181 -1.814331 1.997755 
1 1 1    7   18    8 o  229.348   1.2131 51049.07  539.959 50139.06  754.312 52005.41  773.276  227.253   1.7099  231.444   1.7212 -4.190491 2.426159 
1 1 1    7   18    9 o  191.889   1.1344 35743.77  422.533 35426.79  593.057 36070.54  602.150  191.025   1.5993  192.753   1.6093 -1.727463 2.268865 
1 1 1    7   18   10 o  190.213   1.0813 35121.90  398.410 35215.57  583.137 35039.89  545.608  190.449   1.5773  189.977   1.4795 0.4718933 2.162622 
1 1 1    7   18   11 f  129.482   0.9607 16248.41  240.190 16551.31  360.161 16005.79  322.338  130.565   1.4210  128.399   1.2933 2.166077 1.921418 
1 1 1    7   18   12 o   81.803   0.7084  6487.06  112.388  6712.07  163.191  6284.05  155.005   83.150   1.0110   80.455   0.9925 2.694550 1.416775 
1 1 1    7   18   13 o  156.010   1.0566 23628.24  319.933 23143.09  447.841 24133.88  457.210  154.376   1.4944  157.645   1.4941 -3.269913 2.113197 
1 1 1    7   18   14 o  118.843   0.8770 13713.85  202.111 13721.07  292.631 13707.26  279.479  118.872   1.2682  118.814   1.2118 0.5754089E-01 1.754021 
1 1 1    7   18   15 o  112.252   0.8656 12242.42  188.455 12097.33  271.360 12377.58  261.920  111.608   1.2525  112.896   1.1952 -1.288445 1.731244 
1 1 1    7   18   16 o   87.961   0.7623  7510.91  130.059  7576.75  188.028  7450.52  180.091   88.330   1.0966   87.593   1.0592 0.7373199 1.524579 
1 1 1    7   18   17 o  143.404   1.0928 19983.03  304.200 19930.76  429.229 20035.77  431.184  143.216   1.5439  143.592   1.5469 -0.3764801 2.185573 
1 1 1    7   18   18 o   77.881   0.7782  5883.56  117.381  6002.98  172.590  5780.77  160.114   78.614   1.1310   77.148   1.0692 1.465576 1.556340 
1 1 1    7   18   19 o   58.943   0.7069  3367.81   80.691  3463.89  118.960  3285.95  109.816   59.719   1.0262   58.167   0.9726 1.552105 1.413832 
1 1 1    7   18   20 o   25.332   1.1290  614.241   55.020  699.485   85.025  552.828   72.168   26.819   1.6332   23.844   1.5592 2.974594 2.257948 
1 1 1    7   18   21 o   37.281   0.8810  1352.68   63.673  1293.95   90.931  1409.18   89.189   36.485   1.2839   38.078   1.2066 -1.593281 1.761933 
1 1 1    7   18   22 o   53.583   0.7769  2790.54   80.792  2775.60  115.055  2805.07  113.475   53.441   1.1091   53.725   1.0881 -0.2843437 1.553711 
1 1 1    7   18   23 o   36.863   0.9203  1321.83   65.575  1318.85   97.236  1324.31   88.810   36.821   1.3604   36.904   1.2397 -0.8315659E-01 1.840515 
1 1 1    7   18   24 o   71.936   0.8128  5034.23  113.447  4986.64  162.477  5079.51  158.475   71.602   1.1690   72.271   1.1296 -0.6687622 1.625588 
1 1 1    7   18   25 o   42.609   0.8805  1765.04   72.373  1795.11  108.993  1741.33   96.792   42.926   1.3080   42.293   1.1790 0.6330719 1.760949 
1 1 1    7   18   26 o   39.923   0.9335  1551.95   72.255  1616.34  105.371  1494.81   99.270   40.701   1.3337   39.145   1.3064 1.555885 1.866912 
1 1 1    7   18   27 o   22.560   1.4370  496.867   62.107  532.722   97.253  472.175   80.708   23.217   2.1579   21.902   1.8983 1.314735 2.874032 
1 1 1    7   18   28 o   9.7430   2.5174   84.851   62.290   67.702   93.340   98.620   83.639   9.3927   3.6207   10.093   3.4984 -0.7005787 5.034743 
1 1 1    7   18   29 o   21.514   1.5816  463.568   65.618  472.603   98.973  456.482   87.652   21.663   2.3536   21.365   2.1134 0.2975559 3.163249 
1 1 1    7   18   30 o   26.050   1.3903  667.566   69.420  766.527  109.252  600.557   89.901   27.605   2.0388   24.495   1.8907 3.110491 2.780534 
1 1 1    7   18   31 o   14.263   3.0149  245.062   88.555  239.266  145.703  248.456  111.516   13.957   4.6193   14.568   3.8757 -0.6111345 6.029821 
1 1 1    7   19    0 o  187.368   1.0807 34078.93  393.062 34008.89  553.222 34150.32  558.563  187.174   1.5226  187.562   1.5341 -0.3885498 2.161455 
1 1 1    7   19    1 o  182.460   1.0603 32317.60  375.526 32702.87  531.886 31934.67  530.265  183.545   1.4928  181.376   1.5061 2.168823 2.120573 
1 1 1    7   19    2 o  178.129   1.0597 30800.10  366.415 30670.41  514.680 30933.40  521.770  177.749   1.4916  178.509   1.5058 -0.7601624 2.119501 
1 1 1    7   19    3 o  307.060   1.3360 91538.41  796.324 91645.55  1123.02 91430.04  1129.35  307.241   1.8830  306.879   1.8958 0.3619995 2.672016 
1 1 1    7   19    4 o   87.421   0.6997  7413.58  118.699  7243.98  165.197  7594.60  170.668   86.388   0.9851   88.454   0.9940 -2.065903 1.399422 
1 1 1    7   19    5 o   36.157   0.7122  1267.94   49.968  1311.41   71.841  1227.20   69.546   36.756   1.0069   35.557   1.0076 1.199696 1.424439 
1 1 1    7   19    6 o  352.757   1.4234 120820.30  974.655 121077.00  1373.33 120559.90  1383.47  353.135   2.0034  352.379   2.0225 0.7561035 2.846793 
1 1 1    7   19    7 o  255.413   1.2680 63333.15  628.628 63090.73  882.715 63582.61  895.450  254.917   1.7838  255.908   1.8026 -0.9909668 2.536011 
1 1 1    7   19    8 o  156.971   1.0789 23938.48  327.797 23676.56  480.932 24165.74  447.972  156.168   1.5865  157.775   1.4627 -1.607788 2.157834 
1 1 1    7   19    9 o  198.300   1.1490 38175.86  442.276 37968.65  621.042 38389.08  629.998  197.755   1.6178  198.846   1.6321 -1.091278 2.298090 
1 1 1    7   19   10 o   50.926   0.5948  2517.13   58.794  2580.99   83.634  2454.73   82.669   51.565   0.8355   50.288   0.8469 1.277138 1.189662 
1 1 1    7   19   11 o  143.221   0.9690 19918.75  269.123 19847.07  389.056 19984.51  372.667  142.972   1.4018  143.469   1.3381 -0.4965057 1.937967 
1 1 1    7   19   12 o  109.639   1.0002 11689.71  204.286 11612.20  340.133 11733.45  255.504  109.347   1.6024  109.931   1.1973 -0.5841446 2.000328 
1 1 1    7   19   13 o  119.160   0.8835 13785.01  204.178 13826.30  295.330 13747.20  282.593  119.330   1.2749  118.991   1.2234 0.3400269 1.767001 
1 1 1    7   19   14 o   94.782   0.7896  8721.06  145.269  8593.04  203.773  8853.36  207.151   94.075   1.1159   95.489   1.1176 -1.414268 1.579264 
1 1 1    7   19   15 o  170.278   1.1697 28179.69  385.699 28079.48  565.065 28267.10  527.766  169.987   1.7124  170.568   1.5940 -0.5806122 2.339486 
1 1 1    7   19   16 o   82.723   0.7730  6644.84  124.037  6663.30  179.064  6627.81  171.981   82.833   1.1136   82.614   1.0724 0.2191620 1.546039 
1 1 1    7   19   17 o  142.184   1.0488 19648.59  288.013 19594.80  429.122 19692.67  388.522  141.999   1.5568  142.370   1.4058 -0.3703156 2.097605 
1 1 1    7   19   18 o  112.780   0.9521 12358.06  208.428 12450.68  296.482 12267.56  293.071  113.198   1.3493  112.363   1.3436 0.8350143 1.904179 
1 1 1    7   19   19 o   35.650   0.8320  1235.36   57.439  1224.92   84.042  1244.51   78.684   35.508   1.2193   35.793   1.1325 -0.2852135 1.664079 
1 1 1    7   19   20 o   95.003   0.9001  8764.69  165.903  8951.60  239.562  8592.44  229.977   95.975   1.2859   94.032   1.2599 1.942734 1.800237 
1 1 1    7   19   21 o   44.790   0.8088  1953.61   70.098  1889.98  102.287  2009.96   96.254   44.098   1.1949   45.481   1.0902 -1.383263 1.617530 
1 1 1    7   19   22 o   92.503   0.8965  8319.00  160.952  8394.87  229.742  8245.88  225.557   92.916   1.2737   92.090   1.2618 0.8266296 1.792902 
1 1 1    7   19   23 o   44.154   0.8466  1907.86   71.946  1784.91  106.900  2009.67   97.274   42.839   1.2855   45.469   1.1021 -2.629593 1.693249 
1 1 1    7   19   24 o   50.044   0.8225  2442.30   79.697  2280.53  113.969  2597.11  111.487   48.413   1.2127   51.674   1.1114 -3.261349 1.644989 
1 1 1    7   19   25 o   29.625   1.1019  854.190   62.742  873.143   96.176  840.147   82.784   29.899   1.6571   29.350   1.4530 0.5490894 2.203895 
1 1 1    7   19   26 o   24.133   1.3643  569.142   63.751  610.562   94.321  534.305   86.501   24.935   1.9487   23.331   1.9099 1.603716 2.728565 
1 1 1    7   19   27 o   46.465   0.8373  2097.81   74.997  2190.84  113.951  2026.71   99.613   47.357   1.2396   45.574   1.1260 1.782635 1.674627 
1 1 1    7   19   28 o   26.421   1.2482  687.847   63.604  709.998   96.158  670.617   84.807   26.774   1.8502   26.068   1.6760 0.7061386 2.496393 
1 1 1    7   19   29 o   29.045   1.2507  839.249   70.302  777.932  100.456  898.104   98.420   27.972   1.8501   30.117   1.6835 -2.144598 2.501358 
1 1 1    7   19   30 o   24.773   1.4908  625.901   70.605  572.876  106.554  667.406   94.272   23.730   2.3131   25.815   1.8813 -2.084663 2.981570 
1 1 1    7   19   31 o   34.713   1.4667  1241.58   94.952  1170.00  154.636  1284.90  120.301   33.654   2.3671   35.773   1.7324 -2.119659 2.933313 
1 1 1    7   20    0 o  449.143   1.6679 195863.80  1453.95 195213.80  2037.55 196538.00  2075.36  448.385   2.3409  449.901   2.3764 -1.515472 3.335735 
1 1 1    7   20    1 o  104.009   0.7743 10499.76  156.326 10629.32  222.133 10372.65  220.037  104.644   1.0935  103.373   1.0965 1.271187 1.548616 
1 1 1    7   20    2 f   35.319   0.4742  1210.35   32.503  1186.22   45.459  1235.59   46.491   34.959   0.6699   35.679   0.6713 -0.7201385 0.9483370 
1 1 1    7   20    3 f   38.511   0.4888  1437.84   36.515  1374.98   50.719  1505.49   52.614   37.638   0.6942   39.383   0.6882 -1.745693 0.9775144 
1 1 1    7   20    4 o  134.134   0.9120 17459.92  237.400 17234.90  331.491 17696.83  340.144  133.247   1.2816  135.021   1.2978 -1.773605 1.823914 
1 1 1    7   20    5 o  263.322   1.2753 67313.14  651.835 67049.64  914.545 67585.21  929.301  262.799   1.7927  263.846   1.8144 -1.046661 2.550698 
1 1 1    7   20    6 o  196.328   1.1290 37419.07  430.252 37342.24  604.986 37497.70  612.010  196.125   1.5891  196.532   1.6042 -0.4073944 2.258026 
1 1 1    7   20    7 o   40.858   0.7734  1622.64   61.258  1544.96   87.386  1697.70   85.897   39.895   1.1284   41.821   1.0581 -1.925819 1.546878 
1 1 1    7   20    8 o  300.272   1.3650 87543.78  795.618 87352.76  1119.98 87738.38  1130.44  299.942   1.9236  300.603   1.9373 -0.6604614 2.730041 
1 1 1    7   20    9 o   81.492   0.8282  6448.45  127.114  6440.09  206.435  6453.56  161.326   81.448   1.3057   81.537   1.0193 -0.8867645E-01 1.656417 
1 1 1    7   20   10 o  139.443   0.9607 18878.36  260.043 19022.02  367.410 18734.16  368.104  139.975   1.3522  138.911   1.3651 1.063522 1.921444 
1 1 1    7   20   11 o  190.557   1.1047 35277.14  407.725 35029.72  595.814 35495.04  559.151  189.925   1.6161  191.189   1.5066 -1.264175 2.209438 
1 1 1    7   20   12 o  209.477   1.1672 42600.41  473.221 42839.93  697.586 42396.21  644.083  210.017   1.7111  208.937   1.5880 1.080307 2.334476 
1 1 1    7   20   13 o  127.581   0.9142 15810.57  226.212 15654.38  325.688 15956.15  314.434  126.971   1.3214  128.191   1.2636 -1.220352 1.828313 
1 1 1    7   20   14 o  222.024   1.2808 48004.52  544.737 47234.20  837.920 48568.40  716.907  220.456   1.9580  223.591   1.6517 -3.134628 2.561653 
1 1 1    7   20   15 o   49.607   0.6634  2391.70   63.811  2267.82   90.499  2514.18   89.988   48.328   0.9647   50.887   0.9110 -2.558453 1.326834 
1 1 1    7   20   16 o   93.993   0.7933  8574.25  144.585  8700.13  209.957  8460.71  199.400   94.647   1.1428   93.338   1.1005 1.309227 1.586530 
1 1 1    7   20   17 o  122.248   0.9349 14498.85  221.571 14899.39  323.181 14143.59  304.363  123.837   1.3444  120.659   1.2995 3.177834 1.869777 
1 1 1    7   20   18 o   98.877   0.8819  9497.74  169.122  9513.14  244.380  9483.58  234.289   98.952   1.2723   98.802   1.2216 0.1499939 1.763765 
1 1 1    7   20   19 o   57.179   0.7359  3177.78   81.570  3129.34  117.913  3222.24  112.961   56.759   1.0702   57.598   1.0103 -0.8387718 1.471740 
1 1 1    7   20   20 o   54.477   0.7476  2884.10   78.981  2856.20  113.885  2909.96  109.628   54.222   1.0820   54.732   1.0318 -0.5102005 1.495137 
1 1 1    7   20   21 o  106.304   0.9851 10985.56  203.246 11100.34  290.787 10875.93  284.193  106.846   1.4020  105.763   1.3843 1.083138 1.970224 
1 1 1    7   20   22 f  113.484   1.0395 12529.46  228.974 12586.78  325.976 12473.64  321.703  113.739   1.4764  113.229   1.4636 0.5100021 2.078947 
1 1 1    7   20   23 o   56.236   0.7769  3068.13   84.416  3135.45  126.218  3013.65  113.549   56.789   1.1450   55.683   1.0505 1.106487 1.553866 
1 1 1    7   20   24 o   31.686   1.0877  982.398   66.637  902.430   95.599  1057.97   92.934   30.419   1.6190   32.952   1.4529 -2.532681 2.175303 
1 1 1    7   20   25 o   25.391   1.2611  632.337   60.921  621.445   95.753  639.745   78.964   25.187   1.9585   25.595   1.5893 -0.4085312 2.522201 
1 1 1    7   20   26 o   47.217   0.8478  2173.49   77.678  2186.67  111.575  2161.10  108.209   47.353   1.2138   47.081   1.1840 0.2723312 1.695650 
1 1 1    7   20   27 o   23.977   1.3474  562.100   61.482  592.927   98.147  542.191   78.875   24.479   2.0655   23.475   1.7309 1.003813 2.694846 
1 1 1    7   20   28 o   17.074   1.9163  293.630   63.275  323.877   94.502  269.051   85.188   17.861   2.7257   16.287   2.6945 1.573606 3.832691 
1 1 1    7   20   29 o   25.317   1.4322  640.987   70.329  644.659  101.628  637.612   97.426   25.372   2.0634   25.261   1.9868 0.1106949 2.864442 
1 1 1    7   20   30 o   11.142   2.5506  121.461   65.964  206.523  101.670   59.625   86.685   13.491   3.7480   8.7929   3.4606 4.698367 5.101283 
1 1 1    7   20   31 o   13.052   3.0537  210.614   93.067  145.324  149.716  251.731  118.811   11.647   4.5587   14.458   4.0641 -2.811225 6.107321 
1 1 1    7   21    0 o   54.098   0.6946  2836.14   72.865  2942.61  105.985  2740.70  100.339   55.060   0.9916   53.137   0.9728 1.922478 1.389101 
1 1 1    7   21    1 o  245.442   1.2267 58482.70  584.378 58426.08  820.503 58541.00  832.497  245.322   1.7230  245.562   1.7465 -0.2403564 2.453313 
1 1 1    7   21    2 o  147.827   0.9591 21213.13  275.235 21189.41  389.024 21236.91  389.458  147.744   1.3564  147.910   1.3564 -0.1654510 1.918293 
1 1 1    7   21    3 o  149.542   0.9663 21707.93  280.489 21667.12  395.067 21749.40  398.295  149.400   1.3622  149.683   1.3708 -0.2832489 1.932545 
1 1 1    7   21    4 o  196.453   1.1355 37462.84  432.981 37146.39  608.064 37788.33  616.681  195.612   1.6014  197.295   1.6102 -1.682770 2.270924 
1 1 1    7   21    5 o  223.058   1.1937 48304.68  516.833 48839.57  731.243 47770.75  730.583  224.292   1.6795  221.824   1.6967 2.468384 2.387350 
1 1 1    7   21    6 o   63.229   0.6147  3870.76   75.337  4065.35  110.242  3700.27  103.193   64.717   0.8775   61.742   0.8610 2.974129 1.229386 
1 1 1    7   21    7 f   40.557   0.7909  1596.67   62.168  1597.10   90.484  1596.29   85.561   40.562   1.1492   40.552   1.0869 0.1010513E-01 1.581768 
1 1 1    7   21    8 o   59.301   0.7252  3394.29   79.278  3352.85   97.548  3474.92  136.060   58.772   0.8550   59.830   1.1715 -1.057964 1.450348 
1 1 1    7   21    9 o  197.630   1.1618 37919.89  445.680 38417.76  633.331 37431.48  627.284  198.915   1.6402  196.345   1.6458 2.570175 2.323569 
1 1 1    7   21   10 o  236.036   1.2748 54100.68  584.005 53818.77  818.343 54393.26  833.687  235.411   1.7908  236.662   1.8147 -1.251297 2.549534 
1 1 1    7   21   11 o   58.007   0.6259  3266.53   70.469  3256.55  100.046  3276.35   99.276   57.919   0.8898   58.095   0.8803 -0.1759186 1.251711 
1 1 1    7   21   12 o  121.221   0.8920 14262.96  209.740 14384.58  303.175 14151.31  290.467  121.716   1.2832  120.726   1.2395 0.9894104 1.784024 
1 1 1    7   21   13 o  102.359   0.8103 10171.39  160.924 10222.36  231.292 10123.56  224.044  102.607   1.1612  102.111   1.1303 0.4960251 1.620510 
1 1 1    7   21   14 o   69.835   0.6819  4721.08   92.276  4970.11  135.518  4505.80  125.998   71.546   0.9758   68.123   0.9528 3.423325 1.363803 
1 1 1    7   21   15 o   98.846   0.8037  9489.97  154.166  9430.37  220.542  9546.92  215.590   98.542   1.1529   99.151   1.1201 -0.6086960 1.607463 
1 1 1    7   21   16 o   90.492   0.8209  7954.47  144.177  7793.58  204.152  8114.57  203.645   89.579   1.1740   91.406   1.1477 -1.827446 1.641833 
1 1 1    7   21   17 o   93.202   0.8469  8436.20  153.118  8494.83  220.842  8381.91  212.482   93.512   1.2166   92.891   1.1784 0.6210861 1.693719 
1 1 1    7   21   18 o   80.764   0.7961  6332.71  124.654  6402.56  181.232  6269.99  171.726   81.185   1.1500   80.343   1.1011 0.8420792 1.592128 
1 1 1    7   21   19 o   61.963   0.7385  3722.91   88.592  3815.75  130.753  3644.11  120.456   62.675   1.0747   61.252   1.0131 1.423004 1.476941 
1 1 1    7   21   20 o   40.269   0.8326  1577.44   65.013  1525.62   93.146  1626.67   90.784   39.622   1.2111   40.916   1.1430 -1.293995 1.665280 
1 1 1    7   21   21 o   44.431   0.8346  1918.33   71.834  1922.57  105.090  1914.61   98.417   44.475   1.2172   44.387   1.1422 0.8845139E-01 1.669238 
1 1 1    7   21   22 o   33.427   0.9745  1083.85   62.961  1117.34   94.088  1056.70   84.726   33.891   1.4302   32.963   1.3241 0.9271049 1.949013 
1 1 1    7   21   23 o   62.846   0.9686  3815.62  109.398  3916.40  197.379  3770.93  131.432   63.411   1.6035   62.281   1.0871 1.130108 1.937277 
1 1 1    7   21   24 o   13.145   2.3710  178.202   61.349  213.934   86.438  141.931   87.088   14.432   3.1720   11.858   3.5248 2.573627 4.741907 
1 1 1    7   21   25 o   41.888   0.8649  1705.66   69.417  1733.77  107.525  1685.57   90.897   42.171   1.3135   41.605   1.1255 0.5657082 1.729747 
1 1 1    7   21   26 o   20.216   1.6151  402.927   63.267  438.070   91.375  370.566   87.685   21.069   2.2342   19.363   2.3329 1.705597 3.230166 
1 1 1    7   21   27 o   18.237   1.8077  347.146   59.581  294.636   94.537  381.746   76.740   16.834   3.0031   19.639   2.0130 -2.804371 3.615349 
1 1 1    7   21   28 o   8.6899   2.4451   47.221   62.591   21.733   91.469   69.665   85.833   8.1651   3.4240   9.2147   3.4915 -1.049549 4.890211 
1 1 1    7   21   29 o   38.993   1.0154  1504.97   76.531  1420.10  111.379  1580.89  105.336   37.913   1.5134   40.073   1.3541 -2.159100 2.030758 
1 1 1    7   21   30 o   21.025   1.6934  456.750   67.669  429.529  104.912  476.142   88.550   20.357   2.6549   21.692   2.1030 -1.334473 3.386834 
1 1 1    7   21   31 o   29.079   1.7720  891.575   96.701  846.510  155.172  920.190  123.647   28.182   2.8364   29.977   2.1249 -1.794388 3.544095 
1 1 1    7   22    0 o   85.351   0.8853  7081.35  146.310  7228.95  201.137  6915.48  213.217   86.297   1.2007   84.404   1.3013 1.892593 1.770637 
1 1 1    7   22    1 o  172.706   1.0486 28956.38  351.526 29213.17  496.605 28698.50  497.662  173.474   1.4747  171.939   1.4911 1.535217 2.097160 
1 1 1    7   22    2 o  366.193   1.4420 130174.50  1024.76 129262.90  1431.38 131132.91  1467.76  364.879   2.0209  367.507   2.0574 -2.627655 2.883914 
1 1 1    7   22    3 o  119.589   1.0317 13881.50  239.480 13735.66  336.288 14031.55  341.116  118.951   1.4564  120.226   1.4616 -1.274330 2.063355 
1 1 1    7   22    4 o   40.027   0.5419  1553.23   42.058  1593.99   61.191  1516.72   57.903   40.524   0.7779   39.530   0.7546 0.9943886 1.083735 
1 1 1    7   22    5 o  160.362   1.0258 24965.70  319.293 25199.82  451.051 24730.54  452.047  161.116   1.4422  159.608   1.4590 1.507584 2.051506 
1 1 1    7   22    6 o  135.373   0.9477 17789.50  249.046 17605.66  351.339 17975.16  353.075  134.670   1.3440  136.076   1.3367 -1.406006 1.895493 
1 1 1    7   22    7 o  176.770   1.1016 30336.24  377.987 30218.13  532.634 30456.07  536.495  176.424   1.5553  177.117   1.5604 -0.6930389 2.203127 
1 1 1    7   22    8 o  169.900   1.0682 28021.97  352.267 27754.70  494.387 28297.61  502.063  169.077   1.5063  170.723   1.5150 -1.645355 2.136375 
1 1 1    7   22    9 o  153.762   1.0236 22951.57  305.508 22684.48  428.901 23226.65  435.277  152.854   1.4455  154.669   1.4498 -1.815689 2.047253 
1 1 1    7   22   10 o  158.781   1.0615 24468.71  327.104 25135.36  468.673 23835.56  456.748  160.888   1.5007  156.673   1.5018 4.215195 2.123068 
1 1 1    7   22   11 f  161.031   1.0339 25195.82  322.685 24902.39  468.092 25461.53  445.441  160.135   1.5058  161.927   1.4171 -1.792801 2.067797 
1 1 1    7   22   12 o   67.389   0.6520  4406.35   85.212  4457.82  123.537  4359.63  117.691   67.764   0.9392   67.014   0.9047 0.7499771 1.304039 
1 1 1    7   22   13 o  100.316   0.8382  9773.29  163.177  9858.88  228.952  9684.93  232.627  100.763   1.1705   99.869   1.2000 0.8939972 1.676304 
1 1 1    7   22   14 o   41.991   0.6453  1712.46   52.457  1705.29   77.001  1718.66   71.657   41.908   0.9465   42.074   0.8774 -0.1650429 1.290611 
1 1 1    7   22   15 o   84.088   0.7433  6866.35  121.272  6864.14  174.200  6868.42  168.932   84.074   1.0674   84.102   1.0348 -0.2752686E-01 1.486621 
1 1 1    7   22   16 o   43.675   0.6872  1854.09   58.198  1779.59   82.944  1926.33   81.679   42.809   0.9981   44.540   0.9447 -1.731148 1.374306 
1 1 1    7   22   17 o   51.452   0.6938  2570.62   69.284  2588.05   99.029  2553.91   96.969   51.623   0.9882   51.281   0.9741 0.3412552 1.387615 
1 1 1    7   22   18 o   29.971   0.9366  865.487   54.021  926.856   83.041  820.461   71.130   30.883   1.3852   29.059   1.2610 1.823435 1.873182 
1 1 1    7   22   19 o   59.797   0.7337  3474.53   85.025  3451.20  123.662  3495.45  117.095   59.605   1.0688   59.989   1.0055 -0.3838654 1.467450 
1 1 1    7   22   20 o   77.560   0.8022  5846.30  120.754  5740.22  170.976  5951.87  170.568   76.857   1.1460   78.263   1.1227 -1.405998 1.604314 
1 1 1    7   22   21 o  163.729   1.4336 26123.83  455.571 25663.44  638.020 26602.72  650.718  162.258   2.0256  165.199   2.0292 -2.941391 2.867189 
1 1 1    7   22   22 o   48.790   0.8014  2308.70   75.507  2363.75  113.268  2264.67  101.298   49.309   1.1833   48.271   1.0810 1.037983 1.602802 
1 1 1    7   22   23 o   20.338   1.6179  401.158   63.520  465.534   94.348  347.786   85.906   21.822   2.2273   18.854   2.3473 2.968014 3.235820 
1 1 1    7   22   24 o   38.903   0.9294  1472.93   70.145  1510.13  101.411  1438.81   97.127   39.372   1.3269   38.434   1.3018 0.9383202 1.858871 
1 1 1    7   22   25 o   37.564   0.9315  1365.48   67.060  1441.18  104.614  1312.69   87.371   38.429   1.4024   36.699   1.2264 1.729759 1.863008 
1 1 1    7   22   26 o   58.627   0.8127  3352.72   92.466  3291.93  131.476  3412.22  130.067   58.098   1.1658   59.157   1.1326 -1.059948 1.625414 
1 1 1    7   22   27 o   29.639   1.0958  854.357   62.719  962.851   94.520  769.008   83.834   31.302   1.5556   27.977   1.5437 3.325130 2.191533 
1 1 1    7   22   28 o   10.808   2.5272  118.694   63.641   76.098   93.935  154.835   86.526   9.5986   3.6488   12.017   3.4977 -2.418133 5.054429 
1 1 1    7   22   29 o   22.759   1.5550  522.251   68.460  526.741  101.238  518.469   92.929   22.814   2.2860   22.704   2.1086 0.1104298 3.109952 
1 1 1    7   22   30 o   13.625   2.6114  212.376   71.176  187.126  101.470  236.834   99.865   12.789   3.8055   14.462   3.5772 -1.672494 5.222819 
1 1 1    7   23    0 o  129.588   1.0673 16308.27  256.010 16322.55  317.462 16281.72  432.940  129.673   1.2612  129.503   1.7222 0.1694183 2.134601 
1 1 1    7   23    1 o  138.324   0.9389 18572.46  252.090 18676.03  358.616 18471.30  354.440  138.705   1.3319  137.943   1.3237 0.7622223 1.877775 
1 1 1    7   23    2 o  411.015   1.5589 163962.20  1240.83 163036.20  1695.29 165030.59  1821.04  409.771   2.1313  412.259   2.2755 -2.487793 3.117748 
1 1 1    7   23    3 o  196.129   1.1414 37344.19  434.556 37351.78  613.589 37336.55  615.526  196.149   1.6115  196.109   1.6169 0.4016113E-01 2.282815 
1 1 1    7   23    4 o  145.864   0.9705 20653.04  274.775 20500.94  386.624 20808.28  390.588  145.322   1.3705  146.407   1.3743 -1.085144 1.940927 
1 1 1    7   23    5 o  257.393   1.2800 64308.65  639.447 63476.64  895.855 65172.84  913.017  255.696   1.8049  259.089   1.8154 -3.393326 2.559913 
1 1 1    7   23    6 o  176.695   1.0843 30308.37  371.864 30173.11  521.957 30447.79  529.925  176.295   1.5252  177.095   1.5415 -0.8001556 2.168520 
1 1 1    7   23    7 o  170.126   1.0805 28093.67  356.746 27827.39  498.147 28374.02  511.135  169.299   1.5158  170.953   1.5403 -1.653900 2.161019 
1 1 1    7   23    8 o   70.164   0.6518  4777.90   88.763  4726.39  124.333  4831.44  126.763   69.778   0.9179   70.550   0.9256 -0.7711487 1.303586 
1 1 1    7   23    9 o  133.275   0.9624 17245.73  248.972 17324.88  352.054 17166.54  352.146  133.581   1.3577  132.969   1.3643 0.6120453 1.924732 
1 1 1    7   23   10 o  154.629   1.0531 23218.02  316.092 23143.18  444.381 23294.66  449.711  154.378   1.4829  154.881   1.4958 -0.5037079 2.106255 
1 1 1    7   23   11 o  284.642   1.3779 78701.77  761.266 78317.98  1066.59 79100.29  1086.88  283.936   1.9351  285.347   1.9622 -1.411011 2.755899 
1 1 1    7   23   12 o  156.387   1.0500 23751.57  318.749 23900.01  450.850 23603.23  450.708  156.875   1.4805  155.898   1.4893 0.9775696 2.100003 
1 1 1    7   23   13 o   54.970   0.6258  2926.04   66.646  3048.68   98.088  2820.88   90.832   56.037   0.9017   53.903   0.8681 2.133556 1.251668 
1 1 1    7   23   14 o   87.389   0.9055  7414.12  148.276  7404.77  186.684  7430.08  244.043   87.323   1.1013   87.456   1.4375 -0.1332169 1.810904 
1 1 1    7   23   15 o  133.582   0.9704 17342.00  251.476 17115.93  360.700 17555.81  350.789  132.732   1.3999  134.432   1.3442 -1.699768 1.940819 
1 1 1    7   23   16 o  141.186   1.0120 19374.94  277.193 19180.75  398.031 19557.81  386.253  140.496   1.4594  141.877   1.4025 -1.380539 2.024084 
1 1 1    7   23   17 o   80.263   0.7558  6257.40  117.748  6213.69  166.956  6300.65  166.088   79.984   1.0753   80.542   1.0623 -0.5584259 1.511554 
1 1 1    7   23   18 o   40.631   0.7766  1602.83   61.171  1618.43   89.062  1588.91   84.163   40.817   1.1240   40.445   1.0720 0.3723030 1.553268 
1 1 1    7   23   19 o   72.976   0.7784  5170.87  110.185  5244.58  159.389  5103.40  152.490   73.473   1.1175   72.479   1.0838 0.9936371 1.556791 
1 1 1    7   23   20 o   87.107   0.8558  7374.17  144.682  7170.84  203.685  7581.24  205.550   85.894   1.2216   88.320   1.1989 -2.425972 1.711645 
1 1 1    7   23   21 o   57.732   0.7638  3235.94   85.360  3282.35  125.864  3196.42  116.156   58.113   1.1157   57.352   1.0433 0.7606773 1.527562 
1 1 1    7   23   22 o  125.343   1.1322 15295.65  275.458 15370.45  392.517 15223.07  386.662  125.643   1.6094  125.043   1.5930 0.5998077 2.264425 
1 1 1    7   23   23 o   21.350   1.5158  442.744   62.613  490.495   92.886  402.979   84.765   22.398   2.1363   20.301   2.1510 2.097326 3.031585 
1 1 1    7   23   24 o   36.120   0.9664  1267.65   67.603  1326.11   99.758  1217.99   91.931   36.885   1.3933   35.355   1.3395 1.529842 1.932750 
1 1 1    7   23   25 o   23.005   1.3537  512.713   59.857  564.748   92.801  475.641   78.329   23.981   1.9935   22.028   1.8318 1.953146 2.707311 
1 1 1    7   23   26 f   20.771   1.6092  422.596   64.535  483.831   96.939  373.855   86.485   22.111   2.2585   19.431   2.2929 2.680481 3.218423 
1 1 1    7   23   27 o   17.172   1.8913  302.558   60.157  294.040   94.483  308.365   78.013   16.771   3.0130   17.573   2.2869 -0.8019028 3.782590 
1 1 1    7   23   28 o   21.820   1.5161  476.373   64.105  469.888   93.072  482.225   88.422   21.658   2.2138   21.983   2.0721 -0.3248844 3.032245 
1 1 1    7   23   29 o   21.073   1.7672  470.827   69.193  349.948  103.377  568.930   93.130   18.343   2.9033   23.804   2.0155 -5.460991 3.534344 
1 1 1    7   23   30 o   11.626   2.9221  151.040   83.872  102.277  140.889  177.807  104.383   10.817   4.3599   12.435   3.8917 -1.617866 5.844192 
1 1 1    7   24    0 o   80.656   0.8089  6325.50  120.062  6348.60  148.024  6281.06  205.265   80.873   0.9429   80.439   1.3146 0.4342651 1.617754 
1 1 1    7   24    1 o   66.283   0.7351  4277.31   90.228  4307.18  112.120  4222.42  151.996   66.614   0.8671   65.953   1.1872 0.6606674 1.470137 
1 1 1    7   24    2 o  107.093   0.8099 11133.09  168.365 11106.86  238.882 11158.98  237.332  106.967   1.1505  107.218   1.1403 -0.2507629 1.619829 
1 1 1    7   24    3 o  157.069   1.0129 23949.77  308.830 23947.54  435.094 23952.03  438.428  157.062   1.4271  157.076   1.4379 -0.1446533E-01 2.025845 
1 1 1    7   24    4 o   69.748   0.6348  4712.72   85.866  4970.30  124.677  4480.30  118.429   71.558   0.8976   67.939   0.8980 3.618774 1.269646 
1 1 1    7   24    5 o  156.509   1.0319 23776.96  313.474 24172.09  445.859 23390.72  440.821  157.795   1.4556  155.223   1.4630 2.571533 2.063753 
1 1 1    7   24    6 f   68.821   0.6357  4597.95   84.910  4725.78  120.284  4470.98  119.879   69.775   0.8881   67.867   0.9100 1.907272 1.271485 
1 1 1    7   24    7 o  169.033   1.0749 27737.38  352.688 27486.88  495.028 27995.60  502.610  168.258   1.5156  169.808   1.5248 -1.549576 2.149891 
1 1 1    7   24    8 o  268.113   1.3214 69808.38  687.691 69630.01  966.858 69991.02  978.329  267.767   1.8601  268.459   1.8773 -0.6918640 2.642805 
1 1 1    7   24    9 o  150.205   1.0261 21905.57  299.172 22091.87  425.974 21724.22  420.270  150.835   1.4548  149.575   1.4475 1.260025 2.052244 
1 1 1    7   24   10 o   49.971   0.6123  2422.40   59.370  2479.66   85.570  2369.25   82.440   50.540   0.8722   49.403   0.8597 1.137821 1.224642 
1 1 1    7   24   11 o  234.630   1.3527 53505.25  612.276 53716.13  822.148 53242.67  917.447  235.161   1.8010  234.099   2.0189 1.062027 2.705488 
1 1 1    7   24   12 o  105.208   0.8277 10747.92  168.987 10740.66  242.238 10754.79  235.857  105.173   1.1865  105.244   1.1545 -0.7040405E-01 1.655486 
1 1 1    7   24   13 o   55.037   0.6443  2942.69   68.792  2876.28   98.298  3006.43   96.307   54.428   0.9304   55.647   0.8916 -1.218632 1.288595 
1 1 1    7   24   14 o   16.382   1.3904  260.931   44.213  258.031   62.434  263.849   62.621   16.291   1.9743   16.474   1.9582 -0.1828594 2.780717 
1 1 1    7   24   15 o   88.468   0.7615  7600.61  130.734  7345.47  184.056  7860.40  185.727   86.969   1.0902   89.967   1.0635 -2.998001 1.523018 
1 1 1    7   24   16 o   35.977   0.7779  1256.18   54.173  1391.00   77.934  1130.13   75.356   37.844   1.0609   34.110   1.1381 3.734535 1.555855 
1 1 1    7   24   17 o   88.037   0.7941  7523.98  135.600  7633.24  196.382  7424.41  187.464   88.646   1.1412   87.427   1.1046 1.218704 1.588267 
1 1 1    7   24   18 o   45.074   0.7563  1974.87   66.057  1948.14   95.902  1999.01   91.119   44.782   1.1032   45.365   1.0347 -0.5832443 1.512509 
1 1 1    7   24   19 o  112.961   1.0300 12405.26  225.821 12479.96  322.158 12333.09  316.633  113.295   1.4649  112.628   1.4483 0.6663895 2.059910 
1 1 1    7   24   20 o   98.219   0.9338  9379.18  178.026  9278.29  252.520  9478.89  251.020   97.693   1.3316   98.746   1.3096 -1.053055 1.867635 
1 1 1    7   24   21 o   47.596   0.8120  2200.89   74.699  2213.75  111.084  2190.28  100.924   47.720   1.1992   47.472   1.0952 0.2473984 1.624042 
1 1 1    7   24   22 o   43.089   0.8732  1806.04   72.995  1791.12  104.805  1820.11  101.726   42.914   1.2581   43.264   1.2113 -0.3490868 1.746429 
1 1 1    7   24   23 o   39.437   0.9278  1514.31   70.876  1511.34  103.584  1516.92   97.189   39.396   1.3545   39.477   1.2683 -0.8044434E-01 1.855555 
1 1 1    7   24   24 o   28.974   1.1489  821.618   64.304  800.598   95.092  839.328   87.287   28.622   1.7115   29.326   1.5333 -0.7039146 2.297898 
1 1 1    7   24   25 o   31.617   1.0529  975.045   64.064  991.510   97.565  962.564   84.943   31.838   1.5786   31.397   1.3937 0.4414501 2.105828 
1 1 1    7   24   26 o   45.193   0.8749  1996.77   76.679  1947.44  109.977  2043.43  106.966   44.642   1.2691   45.744   1.2046 -1.102272 1.749762 
1 1 1    7   24   27 o   54.939   0.8010  2945.00   84.942  3014.03  127.657  2890.15  113.789   55.496   1.1850   54.382   1.0779 1.113827 1.601907 
1 1 1    7   24   28 o   17.973   1.8653  331.306   64.238  308.827   96.753  349.025   85.903   17.346   2.8735   18.600   2.3792 -1.254210 3.730659 
1 1 1    7   24   29 o   29.766   1.2258  890.734   69.988  817.929  104.587  949.776   94.184   28.584   1.8849   30.947   1.5678 -2.363380 2.451701 
1 1 1    7   24   30 o   8.4846   2.6459  -4.3430   87.876 -100.1616  144.535   51.847  110.682   7.8450   3.6917   9.1243   3.7915 -1.279283 5.291865 
1 1 1    7   25    0 o   29.358   0.8296  817.380   39.806  801.553   45.161  872.500   84.278   28.737   0.8096   29.979   1.4482 -1.242714 1.659136 
1 1 1    7   25    1 o  246.404   1.4476 59047.86  669.796 59330.64  847.099 58576.18  1094.06  247.205   1.7653  245.603   2.2948 1.602112 2.895208 
1 1 1    7   25    2 o  299.280   1.5574 86578.59  871.589 85526.12  1091.26 88432.87  1448.47  296.797   1.8941  301.762   2.4727 -4.965759 3.114821 
1 1 1    7   25    3 o  185.424   1.1093 33364.64  399.183 32708.66  557.404 34055.29  571.936  183.554   1.5644  187.294   1.5731 -3.740158 2.218542 
1 1 1    7   25    4 o  114.862   0.8604 12805.89  191.834 12919.48  273.214 12695.43  269.416  115.364   1.2200  114.360   1.2136 1.004646 1.720852 
1 1 1    7   25    5 o  256.552   1.2836 63885.40  639.069 62910.23  891.648 64915.53  916.422  254.540   1.8046  258.563   1.8258 -4.023712 2.567131 
1 1 1    7   25    6 o  131.538   0.9563 16792.86  243.873 16708.06  336.181 16887.04  354.309  131.188   1.3201  131.887   1.3839 -0.6992645 1.912583 
1 1 1    7   25    7 o  122.065   0.9091 14465.31  215.401 14474.90  304.690 14455.73  304.555  122.105   1.2855  122.024   1.2857 0.8089447E-01 1.818113 
1 1 1    7   25    8 o   96.648   0.7886  9067.16  147.939  9223.35  210.424  8914.50  208.030   97.471   1.1121   95.825   1.1184 1.645943 1.577203 
1 1 1    7   25    9 o  106.448   0.8374 10987.74  172.715 10787.91  236.218 11217.29  253.176  105.410   1.1544  107.486   1.2134 -2.075577 1.674824 
1 1 1    7   25   10 o  148.238   1.0347 21338.96  297.750 21463.73  421.255 21214.40  420.910  148.671   1.4597  147.804   1.4670 0.8664093 2.069488 
1 1 1    7   25   11 o  129.828   0.9530 16367.30  240.171 16335.69  339.055 16399.15  340.256  129.702   1.3467  129.954   1.3488 -0.2515869 1.905989 
1 1 1    7   25   12 f   52.857   0.7286  2710.55   73.151  2702.38   94.115  2723.00  116.261   52.758   0.9190   52.955   1.1310 -0.1968880 1.457271 
1 1 1    7   25   13 o   79.850   0.7186  6192.55  111.301  6155.64  160.311  6226.89  154.647   79.620   1.0372   80.081   0.9948 -0.4608994 1.437203 
1 1 1    7   25   14 o   83.951   0.7433  6844.92  121.120  6778.83  172.260  6909.54  170.337   83.550   1.0621   84.352   1.0403 -0.8025665 1.486696 
1 1 1    7   25   15 o   60.027   0.6598  3498.22   76.869  3540.25  109.653  3457.60  107.789   60.381   0.9355   59.673   0.9305 0.7087593 1.319503 
1 1 1    7   25   16 o  114.425   0.9103 12726.78  201.905 12603.77  292.728 12838.40  278.852  113.894   1.3240  114.956   1.2496 -1.061943 1.820603 
1 1 1    7   25   17 o   33.740   0.8184  1106.83   53.520  1086.66   77.447  1125.28   74.044   33.445   1.1929   34.036   1.1207 -0.5910378 1.636777 
1 1 1    7   25   18 o   95.771   0.8808  8911.00  163.736  8774.48  229.861  9051.64  233.292   95.027   1.2461   96.516   1.2452 -1.489250 1.761614 
1 1 1    7   25   19 o   46.309   0.7892  2085.62   70.876  2021.70  101.409  2146.66   99.097   45.613   1.1453   47.004   1.0861 -1.391205 1.578384 
1 1 1    7   25   20 o   73.200   0.8053  5208.99  114.384  5128.98  163.280  5286.10  160.288   72.646   1.1579   73.754   1.1196 -1.107452 1.610612 
1 1 1    7   25   21 o   79.923   0.8372  6209.23  129.767  6217.85  187.684  6201.34  179.619   79.974   1.2090   79.873   1.1585 0.1009369 1.674419 
1 1 1    7   25   22 o   19.865   1.6428  386.977   63.057  371.753   92.634  400.122   86.079   19.492   2.4483   20.238   2.1911 -0.7463245 3.285587 
1 1 1    7   25   23 o   36.756   0.9492  1318.59   67.579  1260.35   97.401  1372.66   93.841   35.967   1.3951   37.546   1.2876 -1.578819 1.898426 
1 1 1    7   25   24 o   14.298   2.1849  219.057   60.231  131.737   90.829  287.591   80.467   11.508   3.6345   17.087   2.4260 -5.578614 4.369752 
1 1 1    7   25   25 o   34.081   1.0203  1139.01   67.178  1086.14   98.511  1184.96   91.848   33.326   1.5228   34.836   1.3582 -1.509914 2.040516 
1 1 1    7   25   26 o   18.544   1.8923  365.917   62.605  245.783   91.972  469.639   85.459   15.296   3.2003   21.791   2.0203 -6.495315 3.784637 
1 1 1    7   25   27 o   14.145   2.2429  210.158   59.434  236.692   92.554  191.538   77.532   14.866   3.2938   13.424   3.0452 1.442101 4.485838 
1 1 1    7   25   28 o   7.5040   2.2793 -26.6396   64.182   62.309   94.440 -102.9812   87.491   9.1760   3.6118   5.8320   2.7814 3.343998 4.558648 
1 1 1    7   25   29 o   11.862   2.4843  159.693   65.143   87.463  101.109  210.956   85.179   9.8722   3.7777   13.853   3.2275 -3.980284 4.968682 
1 1 1    7   25   30 o   8.1710   2.6228 -70.8682   89.967   64.560  145.578 -154.5501  114.435   10.079   4.2779   6.2632   3.0358 3.815671 5.245564 
1 1 1    7   26    0 o  273.311   1.5165 72647.80  777.848 72985.72  982.921 72081.57  1272.35  274.178   1.8468  272.444   2.4058 1.733582 3.032937 
1 1 1    7   26    1 f  214.471   1.3916 44593.74  557.999 44412.22  699.846 44910.51  924.511  213.883   1.6856  215.059   2.2146 -1.175766 2.783104 
1 1 1    7   26    2 o  181.042   1.3542 31852.06  467.132 31974.11  605.911 31673.22  733.464  181.476   1.7200  180.607   2.0921 0.8684692 2.708349 
1 1 1    7   26    3 o  242.655   1.4675 57093.28  666.161 56864.96  836.200 57489.88  1102.12  242.007   1.7800  243.302   2.3335 -1.295288 2.934923 
1 1 1    7   26    4 o   95.155   0.7636  8783.68  140.989  8566.30  196.285  9015.38  202.645   93.939   1.0764   96.370   1.0833 -2.430779 1.527112 
1 1 1    7   26    5 o  145.031   0.9986 20420.13  281.123 20340.19  395.365 20501.87  399.807  144.745   1.4071  145.318   1.4173 -0.5738373 1.997185 
1 1 1    7   26    6 o  209.622   1.1982 42667.91  487.561 42855.57  688.597 42479.26  690.438  210.084   1.6885  209.159   1.7005 0.9250336 2.396432 
1 1 1    7   26    7 o  154.210   1.0396 23091.10  311.194 22881.49  440.353 23300.22  439.836  153.510   1.4777  154.909   1.4627 -1.398865 2.079216 
1 1 1    7   26    8 o  138.877   0.9912 18727.67  267.209 18865.71  378.315 18590.25  377.469  139.387   1.3982  138.366   1.4054 1.021652 1.982412 
1 1 1    7   26    9 o  159.759   1.0793 24786.56  334.713 25018.84  473.360 24554.30  473.353  160.508   1.5193  159.010   1.5335 1.497940 2.158677 
1 1 1    7   26   10 o  157.944   1.0609 24225.47  325.270 24171.80  458.561 24279.81  461.454  157.768   1.4973  158.120   1.5034 -0.3517303 2.121838 
1 1 1    7   26   11 o  101.786   0.8300 10057.10  163.960  9925.63  229.072 10195.21  234.784  101.105   1.1672  102.468   1.1804 -1.363304 1.659984 
1 1 1    7   26   12 o  143.470   1.0482 19995.68  291.580 19992.78  422.751 19998.31  402.694  143.457   1.5181  143.483   1.4458 -0.2586365E-01 2.096409 
1 1 1    7   26   13 o   92.869   0.8129  8375.70  146.535  8382.12  208.690  8369.45  205.803   92.904   1.1572   92.834   1.1420 0.6950378E-01 1.625830 
1 1 1    7   26   14 o   99.482   0.8821  9611.77  170.326  9701.10  242.799  9525.22  239.001   99.937   1.2516   99.027   1.2433 0.9095688 1.764157 
1 1 1    7   26   15 o   65.372   0.6963  4148.90   88.344  4221.28  126.293  4079.54  123.623   65.930   0.9868   64.814   0.9826 1.116142 1.392559 
1 1 1    7   26   16 o  144.772   1.1459 20388.00  321.667 20665.71  446.059 20087.11  464.302  145.806   1.5760  143.737   1.6640 2.068283 2.291896 
1 1 1    7   26   17 o   86.802   0.8107  7320.03  136.573  7292.69  195.211  7346.24  191.140   86.642   1.1607   86.961   1.1323 -0.3194122 1.621500 
1 1 1    7   26   18 o  105.883   0.9707 10897.38  199.507 10861.73  282.845 10932.67  281.450  105.710   1.3784  106.056   1.3671 -0.3458786 1.941368 
1 1 1    7   26   19 o   32.379   0.9825  1018.40   61.666  1037.10   89.960  1001.83   84.694   32.658   1.4191   32.100   1.3592 0.5577393 1.964986 
1 1 1    7   26   20 o   78.599   0.8235  5998.83  125.529  6145.23  182.227  5866.62  173.168   79.509   1.1807   77.689   1.1483 1.820122 1.646966 
1 1 1    7   26   21 o   35.932   0.9659  1244.04   67.041  1386.90  100.964  1131.38   89.660   37.759   1.3775   34.105   1.3543 3.653893 1.931744 
1 1 1    7   26   22 o   23.389   1.4016  542.369   62.420  482.587   94.813  588.102   82.927   22.219   2.1983   24.560   1.7394 -2.341780 2.803205 
1 1 1    7   26   23 o   14.094   2.2414  205.565   59.356  194.021   91.060  214.093   78.267   13.707   3.4305   14.481   2.8856 -0.7739172 4.482731 
1 1 1    7   26   24 o   58.980   0.7822  3387.82   89.322  3385.75  131.081  3389.63  122.043   58.956   1.1454   59.004   1.0655 -0.4801559E-01 1.564358 
1 1 1    7   26   25 o   36.613   0.9777  1311.40   69.267  1288.30  101.611  1331.46   94.674   36.301   1.4420   36.926   1.3208 -0.6245804 1.955452 
1 1 1    7   26   26 o   36.187   0.9946  1288.09   69.438  1237.27  102.867  1330.63   94.115   35.506   1.4925   36.867   1.3151 -1.360771 1.989215 
1 1 1    7   26   27 o   24.089   1.3304  566.713   61.599  639.912   95.635  514.813   80.528   25.381   1.9411   22.797   1.8197 2.583960 2.660714 
1 1 1    7   26   28 o   11.442   2.5439  141.972   63.977  111.287   95.562  166.896   86.126   10.540   3.7331   12.343   3.4570 -1.802359 5.087894 
1 1 1    7   26   29 o   14.624   2.2679  242.293   64.480  155.809   95.860  313.759   87.140   11.814   3.7341   17.433   2.5750 -5.619685 4.535811 
1 1 1    7   26   30 o   8.6345   2.6928 -27.2082   90.703   92.690  139.783 -114.4077  119.208   10.447   4.2932   6.8217   3.2515 3.625430 5.385571 
1 1 1    7   27    0 o  157.796   1.2504 24121.90  366.863 23990.45  456.674 24361.09  616.036  157.199   1.4965  158.394   2.0036 -1.194748 2.500783 
1 1 1    7   27    1 o   92.944   0.9321  8489.04  160.152  8738.29  199.807  8041.18  267.833   94.878   1.0849   91.009   1.5160 3.868958 1.864229 
1 1 1    7   27    2 o   67.096   0.7682  4417.53   94.483  4518.73  116.595  4223.99  161.247   68.229   0.8803   65.963   1.2593 2.265945 1.536483 
1 1 1    7   27    3 o  153.184   1.2151 22744.99  344.475 22655.31  426.569 22913.09  584.052  152.760   1.4385  153.609   1.9587 -0.8489990 2.430201 
1 1 1    7   27    4 o  358.637   1.6859 125094.10  1139.51 125605.90  1449.02 124264.60  1844.69  359.634   2.0756  357.641   2.6571 1.992218 3.371720 
1 1 1    7   27    5 o  191.425   1.3433 35624.37  480.358 35730.45  602.859 35439.91  794.974  191.830   1.6190  191.020   2.1439 0.8098297 2.686525 
1 1 1    7   27    6 o  154.422   1.0267 23155.91  307.692 23272.04  431.205 23035.44  439.188  154.818   1.4348  154.027   1.4689 0.7903595 2.053375 
1 1 1    7   27    7 o   66.976   0.6542  4353.35   85.039  4273.50  119.009  4436.65  121.557   66.349   0.9240   67.604   0.9263 -1.254585 1.308364 
1 1 1    7   27    8 o   84.272   0.7308  6894.98  119.545  6866.83  169.747  6922.67  168.384   84.102   1.0398   84.443   1.0272 -0.3414688 1.461616 
1 1 1    7   27    9 o  166.305   1.0869 26857.29  350.863 26742.82  492.595 26975.18  499.876  165.946   1.5292  166.664   1.5451 -0.7184143 2.173870 
1 1 1    7   27   10 f  203.687   1.2142 40300.34  480.053 40259.07  676.022 40342.32  681.811  203.582   1.7106  203.792   1.7235 -0.2091827 2.428316 
1 1 1    7   27   11 o   90.298   0.7820  7917.32  137.074  7886.02  193.570  7948.80  194.134   90.119   1.1065   90.477   1.1053 -0.3580170 1.564021 
1 1 1    7   27   12 o   41.836   0.6715  1699.23   54.515  1641.20   76.640  1758.65   77.560   41.113   0.9603   42.559   0.9388 -1.446018 1.342975 
1 1 1    7   27   13 o   80.842   0.7302  6347.32  114.574  6281.02  163.023  6412.04  161.060   80.424   1.0442   81.260   1.0210 -0.8353348 1.460464 
1 1 1    7   27   14 o   64.660   0.8029  4066.78   96.451  4082.24  120.212  4038.86  161.594   64.839   0.9551   64.481   1.2910 0.3573761 1.605898 
1 1 1    7   27   15 o   38.787   0.7384  1461.18   55.584  1457.93   79.366  1464.30   77.872   38.744   1.0553   38.829   1.0331 -0.8510208E-01 1.476810 
1 1 1    7   27   16 o   88.881   0.7890  7673.46  136.102  7680.07  194.657  7667.14  190.369   88.918   1.1278   88.845   1.1038 0.7337189E-01 1.578056 
1 1 1    7   27   17 o   69.972   0.7365  4754.06  100.013  4864.00  142.959  4648.66  139.969   70.764   1.0407   69.180   1.0423 1.584274 1.472912 
1 1 1    7   27   18 o   63.805   0.8850  3954.74  104.609  3950.98  129.799  3961.70  176.702   63.773   1.0485   63.836   1.4260 -0.6213760E-01 1.769959 
1 1 1    7   27   19 o  177.095   1.5419 30572.30  530.036 30735.09  753.075 30412.50  746.143  177.561   2.1849  176.630   2.1762 0.9312134 3.083730 
1 1 1    7   27   20 o   25.422   1.2262  624.217   60.259  702.300   89.907  560.532   81.195   26.854   1.7247   23.990   1.7435 2.863937 2.452424 
1 1 1    7   27   21 o   63.099   0.7862  3875.65   96.153  3741.36  138.189  4001.69  133.876   62.035   1.1475   64.164   1.0749 -2.128468 1.572316 
1 1 1    7   27   22 o   27.480   1.2011  747.320   62.939  665.156   95.139  811.263   83.929   26.102   1.8777   28.857   1.4983 -2.755112 2.402167 
1 1 1    7   27   23 o   32.072   1.0628  1002.44   65.793  1012.34   98.644  994.503   88.304   32.207   1.5778   31.938   1.4243 0.2687492 2.125614 
1 1 1    7   27   24 o   45.278   1.1039  1972.35   90.908  1915.53  109.964  2095.03  161.575   44.318   1.2782   46.239   1.8001 -1.920742 2.207788 
1 1 1    7   27   25 o   50.895   0.8157  2519.32   80.416  2635.14  118.573  2420.68  109.427   51.970   1.1754   49.820   1.1315 2.150135 1.631498 
1 1 1    7   27   26 o   18.670   1.7657  344.189   63.270  425.826   95.718  280.841   84.318   20.631   2.3901   16.709   2.5996 3.921942 3.531365 
1 1 1    7   27   27 o   17.823   1.8785  342.177   59.731  256.129   92.513  403.689   78.219   15.508   3.1799   20.138   2.0009 -4.630124 3.757054 
1 1 1    7   27   28 o   14.298   2.3821  223.352   64.990  247.011   95.366  202.836   88.803   15.018   3.3558   13.578   3.3819 1.439950 4.764262 
1 1 1    7   27   29 o   11.308   2.7359  140.067   72.569  155.975  101.576  123.483  103.715   11.786   3.8548   10.830   3.8833 0.9561787 5.471727 
1 1 1    7   28    0 o  137.446   1.1655 18376.89  301.990 18489.37  384.369 18195.48  488.153  138.002   1.4348  136.890   1.8370 1.112686 2.330977 
1 1 1    7   28    1 o  107.653   1.1209 11226.43  233.109 11001.85  313.253 11505.12  348.961  106.451   1.5159  108.856   1.6514 -2.404503 2.241714 
1 1 1    7   28    2 o   43.160   0.7657  1776.99   57.586  1738.78   67.504  1879.14  110.361   42.324   0.8216   43.996   1.2922 -1.672279 1.531311 
1 1 1    7   28    3 o  145.832   1.1665 20617.12  315.808 20539.20  392.541 20760.10  531.735  145.450   1.3903  146.214   1.8734 -0.7638702 2.332956 
1 1 1    7   28    4 o   99.716   0.9525  9676.56  175.486  9729.21  217.411  9578.14  297.270  100.110   1.1188   99.321   1.5419 0.7889709 1.904979 
1 1 1    7   28    5 o   92.574   0.9250  8381.03  157.801  8517.48  195.476  8125.76  267.375   93.668   1.0751   91.480   1.5057 2.188416 1.850087 
1 1 1    7   28    6 o   97.887   0.9438  9347.54  170.632  9448.34  211.606  9160.14  288.514   98.651   1.1050   97.123   1.5303 1.527939 1.887548 
1 1 1    7   28    7 o  141.702   1.0051 19494.13  276.419 19997.85  393.774 19004.78  388.118  143.506   1.4136  139.897   1.4292 3.609268 2.010151 
1 1 1    7   28    8 o  173.116   1.1066 29104.89  371.858 29137.16  523.750 29072.09  528.052  173.214   1.5577  173.019   1.5722 0.1944733 2.213203 
1 1 1    7   28    9 o   84.642   0.7443  6953.10  122.230  7026.48  176.195  6885.02  169.707   85.072   1.0669   84.212   1.0381 0.8600540 1.488660 
1 1 1    7   28   10 o   25.380   1.2699  625.848   62.553  609.950   88.221  641.922   88.707   25.055   1.8139   25.704   1.7778 -0.6488323 2.539847 
1 1 1    7   28   11 o   91.148   0.7710  8067.47  136.417  8006.19  192.889  8128.81  192.956   90.801   1.0943   91.494   1.0864 -0.6930084 1.542040 
1 1 1    7   28   12 o  131.741   1.0172 16860.13  260.115 16843.50  365.083 16877.27  370.698  131.676   1.4283  131.806   1.4488 -0.1302338 2.034495 
1 1 1    7   28   13 o   72.276   0.6975  5072.12   97.856  5004.63  137.747  5140.89  139.041   71.790   0.9884   72.761   0.9844 -0.9708939 1.395027 
1 1 1    7   28   14 o   12.576   1.8144  157.964   44.069  246.174   64.606   81.207   60.266   15.907   2.0923   9.2449   2.9648 6.662026 3.628771 
1 1 1    7   28   15 o   57.220   0.6674  3174.00   74.018  3276.40  108.281  3084.18  101.412   58.084   0.9603   56.356   0.9270 1.728474 1.334773 
1 1 1    7   28   16 o   57.094   0.6920  3165.91   76.690  3160.82  109.094  3170.88  107.828   57.048   0.9851   57.139   0.9721 -0.9118271E-01 1.384030 
1 1 1    7   28   17 f   73.810   0.7507  5288.51  107.478  5383.02  155.448  5201.95  148.766   74.440   1.0758   73.179   1.0472 1.261070 1.501321 
1 1 1    7   28   18 o   56.595   0.7294  3109.74   80.111  3013.55  111.717  3211.57  114.941   55.695   1.0333   57.496   1.0299 -1.800915 1.458896 
1 1 1    7   28   19 o   69.217   0.7699  4656.02  103.407  4637.29  148.202  4673.79  144.353   69.081   1.1052   69.354   1.0722 -0.2738190 1.539836 
1 1 1    7   28   20 o   33.349   0.9413  1075.68   60.257  1120.06   93.194  1043.79   78.989   33.933   1.4148   32.765   1.2419 1.167324 1.882572 
1 1 1    7   28   21 f   46.982   0.8231  2152.75   74.658  2077.29  110.419  2216.31  101.331   46.216   1.2308   47.748   1.0933 -1.531597 1.646228 
1 1 1    7   28   22 o   7.6790   2.3017   5.0538   59.013   0.1328   90.363   8.7134   77.926   7.8522   3.3525   7.5058   3.1546 0.3464332 4.603351 
1 1 1    7   28   23 o   57.250   0.7742  3195.84   85.798  3104.63  125.003  3277.09  117.974   56.469   1.1404   58.030   1.0473 -1.561352 1.548308 
1 1 1    7   28   24 o   59.236   0.7916  3404.77   90.484  3545.53  136.740  3295.12  120.686   60.311   1.1680   58.162   1.0689 2.148582 1.583297 
1 1 1    7   28   25 o   20.425   1.5790  410.562   62.386  453.008   92.883  375.674   84.207   21.379   2.2381   19.470   2.2280 1.908291 3.158033 
1 1 1    7   28   26 o   38.155   0.9628  1432.53   70.967  1380.22  104.524  1477.27   96.661   37.484   1.4365   38.827   1.2825 -1.342609 1.925700 
1 1 1    7   28   27 o   22.978   1.4245  537.077   61.698  475.029   96.106  580.578   80.470   21.741   2.2773   24.216   1.7119 -2.475401 2.848929 
1 1 1    7   28   28 o   8.1249   2.3573  -1.4835   65.128  100.421   97.644 -83.1521   87.413   10.197   3.7518   6.0525   2.8551 4.144728 4.714583 
1 1 1    7   28   29 o   20.509   1.9018  447.425   74.034  519.316  101.428  365.445  108.311   22.491   2.3232   18.526   3.0118 3.964905 3.803643 
1 1 1    7   29    0 o   99.997   0.9607  9827.96  177.184 10109.43  220.444  9314.25  297.813  102.049   1.1128   97.945   1.5664 4.103920 1.921434 
1 1 1    7   29    1 o  186.244   1.3205 33603.86  457.595 33406.66  570.036 33961.21  767.368  185.490   1.5831  186.997   2.1140 -1.507019 2.641070 
1 1 1    7   29    2 o  175.270   1.2874 29797.77  421.029 29710.89  526.810 29951.36  700.480  174.929   1.5514  175.611   2.0548 -0.6823883 2.574734 
1 1 1    7   29    3 o  215.080   1.4285 45006.64  575.645 45227.55  725.686 44631.73  945.375  215.812   1.7322  214.347   2.2721 1.464722 2.857085 
1 1 1    7   29    4 o  256.239   1.5212 63790.43  729.241 63810.89  916.396 63755.08  1204.16  256.325   1.8417  256.153   2.4217 0.1717834 3.042470 
1 1 1    7   29    5 o   75.056   0.8358  5395.71  112.800  5278.41  135.249  5663.75  204.446   73.738   0.9449   76.374   1.3790 -2.635773 1.671675 
1 1 1    7   29    6 o  259.716   1.5458 65561.20  751.654 65613.76  945.701 65471.06  1238.60  259.896   1.8745  259.535   2.4585 0.3604431 3.091604 
1 1 1    7   29    7 o  186.395   1.3437 33735.46  466.023 33698.55  581.287 33801.87  779.678  186.275   1.6076  186.515   2.1535 -0.2398834 2.687316 
1 1 1    7   29    8 o  121.007   0.9076 14217.44  213.193 14175.42  300.488 14260.04  302.522  120.827   1.2811  121.187   1.2860 -0.3598785 1.815244 
1 1 1    7   29    9 o  114.845   0.9004 12803.90  200.703 13052.22  286.716 12565.32  281.042  115.937   1.2740  113.754   1.2727 2.182968 1.800814 
1 1 1    7   29   10 f  210.314   1.2361 42980.05  504.634 42960.44  711.401 42999.93  715.940  210.266   1.7429  210.362   1.7533 -0.9519958E-01 2.472183 
1 1 1    7   29   11 o   20.837   1.1079  424.722   44.456  393.760   65.656  450.933   60.410   20.130   1.6802   21.545   1.4444 -1.415237 2.215767 
1 1 1    7   29   12 o  157.064   1.0847 23969.45  330.699 23831.37  466.662 24108.74  468.702  156.609   1.5350  157.518   1.5329 -0.9089966 2.169328 
1 1 1    7   29   13 o  113.896   0.9148 12605.42  202.192 12365.78  287.867 12838.75  284.056  112.826   1.3144  114.966   1.2728 -2.140503 1.829664 
1 1 1    7   29   14 o   38.630   0.7219  1450.43   54.075  1421.88   77.889  1476.99   75.133   38.262   1.0487   38.998   0.9925 -0.7358246 1.443865 
1 1 1    7   29   15 o   39.425   0.7376  1509.00   56.379  1409.02   78.818  1613.76   80.677   38.088   1.0661   40.762   1.0196 -2.674652 1.475138 
1 1 1    7   29   16 o   26.831   0.9915  699.392   51.620  728.194   73.773  671.765   72.254   27.373   1.3884   26.290   1.4158 1.082661 1.982983 
1 1 1    7   29   17 o   70.643   0.7400  4850.46  101.389  4774.06  145.666  4922.25  141.209   70.102   1.0704   71.185   1.0219 -1.082520 1.479908 
1 1 1    7   29   18 o   52.937   0.7439  2722.69   76.437  2730.87  108.738  2714.69  107.469   53.016   1.0566   52.859   1.0474 0.1568756 1.487743 
1 1 1    7   29   19 f   63.447   0.7583  3912.19   93.390  3848.48  131.895  3976.24  132.252   62.928   1.0797   63.966   1.0651 -1.037041 1.516663 
1 1 1    7   29   20 o   22.649   1.3051  492.792   56.171  533.805   90.571  467.157   71.605   23.397   1.9942   21.902   1.6842 1.494595 2.610234 
1 1 1    7   29   21 o   72.231   0.8031  5074.45  112.354  5056.08  164.323  5090.58  153.967   72.103   1.1740   72.358   1.0962 -0.2548599 1.606212 
1 1 1    7   29   22 o   66.573   0.7816  4305.83  100.671  4391.15  149.171  4234.46  136.422   67.172   1.1440   65.974   1.0652 1.197624 1.563168 
1 1 1    7   29   23 o   27.677   1.1396  746.494   60.824  765.948   91.917  731.340   81.126   27.987   1.6919   27.366   1.5271 0.6206627 2.279177 
1 1 1    7   29   24 o   7.4049   2.2322 -24.8795   59.596   52.791   90.175 -85.1132   79.411   9.0337   3.5374   5.7761   2.7236 3.257612 4.464478 
1 1 1    7   29   25 o   10.298   2.2236   93.235   59.094 -24.0441   87.690  190.806   79.984   7.1337   3.1678   13.463   3.1213 -6.329226 4.447221 
1 1 1    7   29   26 o   40.311   0.9262  1593.94   72.189  1594.07  106.894  1593.83   97.882   40.293   1.3666   40.328   1.2503 -0.3471375E-01 1.852309 
1 1 1    7   29   27 f   8.0711   2.3680   28.562   60.591   13.381   94.653   39.101   78.868   8.0449   3.4329   8.0973   3.2627 -0.5237103E-01 4.735985 
1 1 1    7   29   28 o   11.942   2.5577  154.557   65.440  202.866   96.870  114.003   88.755   13.432   3.6292   10.453   3.6049 2.978775 5.115341 
1 1 1    7   29   29 o   27.665   1.8064  798.550   91.229  795.580  157.312  800.055  111.983   27.289   2.9697   28.041   2.0573 -0.7521152 3.612716 
1 1 1    7   30    0 f  126.770   1.1067 15550.35  258.178 15436.27  317.449 15773.23  443.710  126.094   1.2969  127.447   1.7935 -1.352806 2.213308 
1 1 1    7   30    1 o   80.501   1.8363  6498.04  152.360  6535.40  158.769  6063.05  541.741   82.051   0.9968   78.952   3.5348 3.098473 3.672651 
1 1 1    7   30    2 o  176.124   1.3007 30152.74  427.451 30223.20  535.546 30029.07  709.523  176.423   1.5638  175.825   2.0788 0.5978241 2.601343 
1 1 1    7   30    3 o  160.510   1.2519 24979.17  372.798 24877.85  462.987 25165.98  628.664  160.063   1.4901  160.957   2.0121 -0.8942871 2.503757 
1 1 1    7   30    4 o  193.456   1.3921 36507.05  501.816 36903.55  628.957 35812.55  832.406  194.931   1.6622  191.980   2.2336 2.951065 2.784231 
1 1 1    7   30    5 f  107.398   1.1386 11216.14  236.857 11448.20  326.497 10958.34  344.131  108.574   1.5491  106.221   1.6690 2.353195 2.277112 
1 1 1    7   30    6 o  230.790   1.4781 51686.82  636.358 51519.75  795.923 51982.82  1059.47  230.306   1.7803  231.273   2.3599 -0.9667969 2.956157 
1 1 1    7   30    7 o  170.167   1.3400 28374.36  426.014 29066.84  537.773 27207.58  698.057  173.000   1.6014  167.334   2.1490 5.666061 2.680046 
1 1 1    7   30    8 o  151.220   1.2291 22304.78  345.012 22529.54  430.307 21900.23  577.313  152.310   1.4554  150.129   1.9810 2.180618 2.458150 
1 1 1    7   30    9 o   75.553   0.8498  5598.96  118.512  5729.45  147.359  5359.98  199.413   76.818   0.9882   74.288   1.3828 2.530403 1.699645 
1 1 1    7   30   10 o   49.353   0.6369  2367.93   60.747  2330.99   89.844  2399.04   82.450   48.997   0.9446   49.709   0.8545 -0.7117920 1.273726 
1 1 1    7   30   11 o   73.207   0.7043  5198.75  100.000  5321.43  145.135  5087.85  137.980   74.028   1.0100   72.386   0.9820 1.642014 1.408646 
1 1 1    7   30   12 o   32.547   0.7829  1029.41   49.426  1009.66   70.904  1048.08   68.935   32.243   1.1329   32.851   1.0810 -0.6087036 1.565851 
1 1 1    7   30   13 o   72.761   0.8799  5106.46  117.525  5253.76  203.699  5032.97  143.888   73.532   1.4271   71.989   1.0297 1.542473 1.759756 
1 1 1    7   30   14 o   75.929   0.7403  5599.09  109.115  5529.31  153.761  5669.88  154.868   75.452   1.0498   76.405   1.0442 -0.9533691 1.480674 
1 1 1    7   30   15 o   48.800   0.6977  2311.89   66.080  2367.71   94.592  2258.69   92.350   49.375   0.9869   48.225   0.9865 1.150093 1.395422 
1 1 1    7   30   16 o   90.051   0.8278  7872.82  144.577  8005.47  209.723  7752.69  199.578   90.772   1.1902   89.330   1.1509 1.441589 1.655684 
1 1 1    7   30   17 o   61.057   0.7223  3623.22   85.570  3517.50  121.571  3727.01  120.466   60.173   1.0408   61.941   1.0019 -1.768162 1.444664 
1 1 1    7   30   18 o  110.854   1.0113 11949.43  217.619 11859.87  306.851 12040.05  308.678  110.436   1.4314  111.272   1.4291 -0.8360596 2.022637 
1 1 1    7   30   19 f   39.492   0.8452  1516.25   64.789  1499.78   91.715  1532.66   91.536   39.278   1.2029   39.707   1.1876 -0.4290581 1.690370 
1 1 1    7   30   20 o   35.671   0.9344  1249.80   64.053  1116.48   94.035  1365.21   87.489   33.873   1.4301   37.470   1.2028 -3.597622 1.868706 
1 1 1    7   30   21 o   42.298   0.8488  1743.81   68.908  1718.45  105.242  1762.84   91.168   42.020   1.2902   42.575   1.1031 -0.5548325 1.697510 
1 1 1    7   30   22 o   49.866   0.8001  2428.82   77.020  2327.93  113.718  2514.32  104.688   48.897   1.1981   50.835   1.0609 -1.937096 1.600265 
1 1 1    7   30   23 o   65.171   0.7865  4115.65   99.066  4357.73  148.630  3922.12  132.890   66.880   1.1448   63.463   1.0787 3.417301 1.572991 
1 1 1    7   30   24 o   47.928   0.8493  2236.46   78.639  2287.15  117.684  2195.56  105.702   48.406   1.2524   47.449   1.1476 0.9576797 1.698692 
1 1 1    7   30   25 o   17.364   1.8721  301.826   62.880  318.386   93.779  288.298   84.755   17.779   2.7173   16.949   2.5760 0.8296299 3.744275 
1 1 1    7   30   26 o   19.309   1.6711  377.783   61.425  355.518   94.968  393.796   80.541   18.744   2.6100   19.874   2.0877 -1.129814 3.342228 
1 1 1    7   30   27 o   28.191   1.2107  788.815   65.013  790.716  102.259  787.525   84.226   28.158   1.8708   28.224   1.5373 -0.6598473E-01 2.421416 
1 1 1    7   30   28 o   13.496   2.4983  205.604   66.049  194.898   99.793  213.949   88.109   13.099   3.7396   13.892   3.3138 -0.7923269 4.996580 
1 1 1    7   30   29 o   32.913   1.4696  1093.60   90.930  1157.61  149.902  1056.34  114.377   33.477   2.3067   32.349   1.8214 1.128326 2.939107 
1 1 1    7   31    0 o   38.796   0.7986  1435.12   52.479  1408.67   60.563  1514.85  105.136   38.094   0.8190   39.499   1.3712 -1.404827 1.597180 
1 1 1    7   31    1 f  183.111   1.3500 32605.48  461.859 32705.28  579.741 32432.10  764.133  183.514   1.6274  182.708   2.1545 0.8065033 2.700067 
1 1 1    7   31    2 o  211.146   1.4268 43413.67  561.806 43684.85  704.047 42938.31  932.146  212.083   1.7101  210.210   2.2844 1.873596 2.853576 
1 1 1    7   31    3 o  151.631   1.2374 22318.58  346.964 22288.90  429.545 22374.31  588.548  151.502   1.4606  151.759   1.9978 -0.2570801 2.474808 
1 1 1    7   31    4 o   64.279   0.7760  4026.62   91.607  4058.89  112.819  3964.18  156.947   64.661   0.8988   63.896   1.2654 0.7649078 1.552092 
1 1 1    7   31    5 o  209.298   1.4344 42560.65  559.533 42565.75  699.612 42551.59  932.092  209.344   1.7216  209.252   2.2947 0.9170532E-01 2.868707 
1 1 1    7   31    6 o   76.892   0.8468  5703.04  119.558  5626.96  146.441  5855.12  207.046   76.132   0.9909   77.652   1.3736 -1.519600 1.693684 
1 1 1    7   31    7 o   81.559   0.8650  6441.22  129.131  6406.15  157.961  6511.86  224.204   81.231   1.0018   81.887   1.4105 -0.6562347 1.730015 
1 1 1    7   31    8 o   16.310   1.8282  297.622   49.103  352.776   60.055  186.389   85.286   19.056   1.6235   13.563   3.2761 5.492935 3.656304 
1 1 1    7   31    9 o  195.467   1.4089 37116.07  513.050 37047.96  640.799 37237.68  856.307  195.261   1.6906  195.673   2.2544 -0.4122314 2.817886 
1 1 1    7   31   10 o   40.148   0.8402  1574.37   61.116  1590.67   74.339  1540.39  107.354   40.475   0.9462   39.822   1.3888 0.6535988 1.680460 
1 1 1    7   31   11 o   83.938   0.8746  6817.10  137.367  6745.89  172.211  6941.66  227.770   83.346   1.0644   84.530   1.3881 -1.184555 1.749224 
1 1 1    7   31   12 o   85.509   0.9212  7169.87  146.279  7341.82  183.220  6867.60  242.925   86.947   1.0856   84.071   1.4885 2.876717 1.842336 
1 1 1    7   31   13 o  131.532   0.9850 16810.84  251.479 16661.92  354.459 16961.77  356.843  130.945   1.3945  132.119   1.3914 -1.173340 1.969902 
1 1 1    7   31   14 o   32.758   0.8205  1043.21   52.133  1004.05   74.159  1081.47   73.303   32.149   1.1883   33.367   1.1317 -1.217773 1.641003 
1 1 1    7   31   15 o   65.064   0.7109  4111.72   89.784  4103.69  126.891  4119.77  127.056   65.001   1.0056   65.128   1.0050 -0.1272964 1.421734 
1 1 1    7   31   16 o   72.566   0.7383  5117.42  103.954  5011.31  148.218  5220.14  145.836   71.824   1.0631   73.307   1.0248 -1.483444 1.476626 
1 1 1    7   31   17 o   43.714   0.7730  1854.18   65.520  1909.71   95.351  1804.50   90.183   44.332   1.1080   43.095   1.0780 1.237251 1.545912 
1 1 1    7   31   18 o   48.532   0.7467  2288.56   70.258  2291.57  101.957  2285.83   96.952   48.561   1.0816   48.503   1.0297 0.5809784E-01 1.493389 
1 1 1    7   31   19 o   16.412   1.8340  265.866   56.708  313.569   83.180  224.441   77.514   17.916   2.3917   14.907   2.7811 3.009679 3.668027 
1 1 1    7   31   20 o   20.698   1.4819  422.328   58.954  370.983   85.774  468.302   81.164   19.483   2.2679   21.912   1.9081 -2.428864 2.963864 
1 1 1    7   31   21 o   42.478   0.8553  1755.25   70.109  1763.58  105.112  1748.57   94.099   42.562   1.2722   42.393   1.1435 0.1691551 1.710581 
1 1 1    7   31   22 o   77.018   0.8238  5769.31  123.042  5914.40  178.915  5639.12  169.484   77.932   1.1827   76.104   1.1472 1.827782 1.647684 
1 1 1    7   31   23 o   31.150   1.0685  938.855   64.267  1049.33   97.102  852.739   85.732   32.762   1.5268   29.539   1.4952 3.223589 2.136982 
1 1 1    7   31   24 o   27.714   1.1969  749.984   64.185  806.305   95.526  703.631   86.661   28.653   1.7175   26.775   1.6674 1.877331 2.393707 
1 1 1    7   31   25 o   21.872   1.4817  473.652   62.681  499.367   93.550  452.704   84.438   22.395   2.1520   21.350   2.0373 1.044025 2.963410 
1 1 1    7   31   26 o   40.956   0.9226  1659.74   72.552  1533.36  108.330  1762.53   97.700   39.491   1.4131   42.420   1.1865 -2.928688 1.845167 
1 1 1    7   31   27 o   10.213   2.4474   88.631   62.039  178.995   95.558   22.792   81.566   12.689   3.6707   7.7364   3.2381 4.952203 4.894812 
1 1 1    7   31   28 o   34.083   1.0952  1154.95   72.139  1153.78  107.066  1155.92   97.625   34.029   1.6208   34.137   1.4732 -0.1084480 2.190310 
1 1 1    7   32    0 o  181.140   1.3288 32014.97  448.451 32388.17  562.136 31361.72  743.734  182.620   1.5857  179.660   2.1326 2.959747 2.657504 
1 1 1    7   32    1 o   98.602   0.9576  9403.74  173.321  9328.66  212.513  9552.89  299.529   98.023   1.1168   99.180   1.5558 -1.157341 1.915145 
1 1 1    7   32    2 o   92.518   0.9422  8412.46  161.261  8659.91  201.367  7970.01  269.267   94.444   1.0984   90.592   1.5312 3.852386 1.884396 
1 1 1    7   32    3 o  138.053   1.1919 18490.15  304.685 18442.42  377.675 18579.12  515.621  137.812   1.4118  138.294   1.9207 -0.4818115 2.383745 
1 1 1    7   32    4 o   67.082   0.7958  4421.05   97.857  4532.86  120.852  4208.15  166.764   68.332   0.9111   65.833   1.3050 2.499664 1.591542 
1 1 1    7   32    5 o  119.574   1.2340 13859.87  285.330 13584.83  385.261 14194.02  424.643  118.266   1.6782  120.881   1.8097 -2.615814 2.468015 
1 1 1    7   32    6 o  146.379   1.2419 20816.12  333.838 20819.34  410.314 20809.81  574.194  146.416   1.4436  146.342   2.0213 0.7456970E-01 2.483884 
1 1 1    7   32    7 o  109.570   1.0462 11652.90  210.119 11636.27  257.653 11685.94  363.062  109.467   1.2125  109.674   1.7053 -0.2070618 2.092463 
1 1 1    7   32    8 o   54.521   0.7745  2906.16   77.171  2945.85   94.711  2827.74  133.117   55.083   0.8858   53.959   1.2709 1.124290 1.549092 
1 1 1    7   32    9 o   42.542   0.8081  1761.29   62.956  1768.77   77.237  1746.47  108.671   42.681   0.9322   42.404   1.3202 0.2777634 1.616182 
1 1 1    7   32   10 o   94.908   0.9742  8704.34  169.006  8615.45  206.229  8886.12  294.913   94.187   1.1280   95.628   1.5887 -1.440399 1.948405 
1 1 1    7   32   11 o  146.357   1.2381 20771.00  335.751 20653.24  416.183 20990.49  568.195  145.796   1.4705  146.917   1.9923 -1.120697 2.476244 
1 1 1    7   32   12 o   87.263   0.9642  7388.56  154.079  7368.25  188.697  7429.20  266.904   87.098   1.1161   87.427   1.5727 -0.3289108 1.928456 
1 1 1    7   32   13 o  115.820   1.1191 12990.95  241.462 12867.79  301.038 13213.13  404.332  115.078   1.3476  116.563   1.7869 -1.484810 2.238132 
1 1 1    7   32   14 o   48.915   0.6874  2323.31   65.182  2331.74   94.800  2315.76   89.769   48.998   0.9967   48.832   0.9470 0.1665421 1.374861 
1 1 1    7   32   15 o   35.009   0.7781  1192.65   52.684  1165.37   77.409  1216.19   71.906   34.634   1.1514   35.384   1.0469 -0.7500267 1.556160 
1 1 1    7   32   16 o   92.193   0.8555  8254.73  152.995  8389.24  221.071  8131.08  211.953   92.912   1.2257   91.474   1.1936 1.437790 1.710907 
1 1 1    7   32   17 o   48.754   0.7545  2305.38   71.341  2422.14  103.438  2199.45   98.523   49.929   1.0672   47.579   1.0667 2.350574 1.508954 
1 1 1    7   32   18 o   30.311   0.9835  893.862   57.856  885.253   82.438  902.218   81.218   30.167   1.4078   30.456   1.3738 -0.2893143 1.966986 
1 1 1    7   32   19 o   40.214   0.8298  1568.65   64.678  1636.10   94.652  1509.57   88.586   41.022   1.1886   39.405   1.1581 1.616428 1.659524 
1 1 1    7   32   20 o   31.492   1.0130  969.465   61.656  908.627   89.605  1024.17   84.969   30.545   1.5112   32.440   1.3493 -1.895195 2.025962 
1 1 1    7   32   21 o   64.663   0.7815  4063.07   97.873  4148.35  143.910  3989.68  133.502   65.289   1.1355   64.037   1.0740 1.251831 1.562924 
1 1 1    7   32   22 o   10.809   2.1572   89.480   57.478  225.882   86.285 -19.3328   77.066   14.808   3.1012   6.8097   2.9994 7.997980 4.314395 
1 1 1    7   32   23 o   34.473   0.9940  1150.24   66.199  1308.39   98.986  1022.28   89.041   36.598   1.3933   32.347   1.4181 4.251770 1.988016 
1 1 1    7   32   24 f   47.356   0.8490  2194.86   77.769  2141.31  114.113  2241.31  106.270   46.801   1.2561   47.911   1.1426 -1.110096 1.698035 
1 1 1    7   32   25 o   20.436   1.5878  419.036   62.710  402.072   91.913  433.810   85.775   20.014   2.3658   20.858   2.1185 -0.8432465 3.175659 
1 1 1    7   32   26 o   19.681   1.6532  383.303   62.349  435.445   98.193  348.077   80.707   20.750   2.4378   18.612   2.2338 2.137863 3.306486 
1 1 1    7   32   27 o   34.414   1.0513  1175.39   69.200  1150.11  106.723  1193.72   90.898   34.035   1.6154   34.794   1.3458 -0.7589684 2.102548 
1 1 1    7   32   28 o   12.439   2.8054  180.914   77.548  207.942  102.371  144.521  118.789   13.397   3.7748   11.481   4.1511 1.916184 5.610753 
1 1 1    7   33    0 o  119.780   1.0936 13924.75  240.870 13906.73  296.367 13959.81  413.426  119.677   1.2757  119.883   1.7765 -0.2062988 2.187127 
1 1 1    7   33    1 o  155.325   1.2553 23474.07  362.347 23574.46  451.859 23293.22  606.484  155.808   1.4940  154.842   2.0177 0.9658966 2.510641 
1 1 1    7   33    2 o  192.536   1.3913 35984.98  498.117 35916.10  620.705 36109.59  834.856  192.303   1.6628  192.770   2.2310 -0.4670715 2.782512 
1 1 1    7   33    3 o  124.562   1.1073 15025.49  254.298 14932.86  313.390 15204.06  435.118  124.012   1.3018  125.111   1.7916 -1.098228 2.214653 
1 1 1    7   33    4 o   92.358   0.9380  8259.38  159.187  8210.45  195.479  8355.71  274.280   91.960   1.0951   92.756   1.5233 -0.7964859 1.876058 
1 1 1    7   33    5 o   60.296   0.7747  3572.44   86.222  3673.24  107.364  3389.37  144.698   61.511   0.8992   59.080   1.2617 2.431343 1.549313 
1 1 1    7   33    6 f   87.412   0.9195  7426.82  148.049  7440.98  182.634  7399.68  252.835   87.541   1.0747   87.282   1.4923 0.2591629 1.839005 
1 1 1    7   33    7 o   81.949   0.8926  6502.65  134.518  6461.50  165.313  6583.31  231.423   81.575   1.0440   82.324   1.4482 -0.7491531 1.785223 
1 1 1    7   33    8 o   49.411   0.7933  2386.94   72.185  2422.69   89.331  2319.68  122.535   49.952   0.9213   48.870   1.2917 1.081966 1.586554 
1 1 1    7   33    9 o  131.198   1.1754 16761.08  284.694 16836.96  352.336 16618.34  483.221  131.652   1.3787  130.744   1.9040 0.9083405 2.350713 
1 1 1    7   33   10 o  116.078   1.1051 13015.21  235.243 12857.95  287.874 13331.28  408.130  115.051   1.2890  117.105   1.7954 -2.053642 2.210179 
1 1 1    7   33   11 o   97.820   1.0034  9358.37  182.833  9520.19  229.444  9076.90  302.614   99.002   1.1939   96.639   1.6131 2.362305 2.006891 
1 1 1    7   33   12 o   89.705   0.9490  7876.43  157.438  8013.40  195.892  7626.54  264.585   90.830   1.1110   88.580   1.5387 2.250046 1.897922 
1 1 1    7   33   13 o   72.547   0.8819  5152.88  118.621  5250.54  148.077  4977.95  198.178   73.525   1.0375   71.569   1.4265 1.955765 1.763864 
1 1 1    7   33   14 o   59.292   0.8103  3425.46   89.830  3453.72  113.015  3376.98  148.037   59.632   0.9763   58.951   1.2936 0.6809654 1.620700 
1 1 1    7   33   15 o   22.185   1.3681  468.214   57.663  430.003   73.165  530.861   93.683   21.022   1.7929   23.349   2.0670 -2.326195 2.736204 
1 1 1    7   33   16 o   71.231   0.7546  4930.51  104.318  4794.59  147.363  5067.04  147.694   70.246   1.0807   72.217   1.0536 -1.970230 1.509266 
1 1 1    7   33   17 o   11.189   2.2472  125.170   50.904  133.497   76.006  118.397   68.549   11.517   3.2553   10.862   3.0989 0.6549683 4.494430 
1 1 1    7   33   18 o   60.138   0.7451  3514.10   86.958  3535.31  124.490  3493.88  121.517   60.315   1.0633   59.962   1.0440 0.3531036 1.490130 
1 1 1    7   33   19 o   42.664   0.7996  1777.38   65.906  1663.24   95.961  1879.29   90.673   41.358   1.1953   43.971   1.0623 -2.612614 1.599124 
1 1 1    7   33   20 o   38.657   0.8632  1451.66   64.654  1492.42   94.878  1416.31   88.341   39.160   1.2481   38.153   1.1928 1.007153 1.726419 
1 1 1    7   33   21 o   43.211   0.8339  1806.94   69.734  1979.52  103.418  1663.05   94.430   45.091   1.1815   41.330   1.1770 3.760750 1.667736 
1 1 1    7   33   22 o   19.044   1.6530  359.524   60.756  329.846   88.175  386.351   83.832   18.272   2.4859   19.816   2.1794 -1.543591 3.306025 
1 1 1    7   33   23 o   12.577   2.4022  166.340   60.425  141.453   88.604  187.979   82.619   11.742   3.5702   13.412   3.2151 -1.670368 4.804471 
1 1 1    7   33   24 o   47.203   0.8497  2173.04   77.508  2232.53  115.876  2124.87  104.267   47.772   1.2495   46.634   1.1518 1.138718 1.699418 
1 1 1    7   33   25 o   35.988   0.9963  1277.45   69.078  1228.25  103.045  1317.60   93.094   35.326   1.5027   36.650   1.3085 -1.323795 1.992580 
1 1 1    7   33   26 o   8.8642   2.4542   59.123   60.658   55.786   95.458   61.382   78.558   9.0243   3.6059   8.7041   3.3300 0.3201704 4.908313 
1 1 1    7   33   27 o   51.521   0.8516  2618.04   84.866  2509.54  123.726  2714.44  116.625   50.477   1.2627   52.566   1.1429 -2.089512 1.703154 
1 1 1    7   33   28 o   27.403   1.9220  804.682  100.013  691.219  149.671  896.214  134.431   25.354   3.0410   29.452   2.3513 -4.098131 3.844036 
1 1 1    7   34    0 o  162.826   1.2849 25717.41  388.004 25632.72  481.742 25873.78  654.634  162.464   1.5275  163.188   2.0665 -0.7238312 2.569823 
1 1 1    7   34    1 o  214.391   1.4748 44790.56  589.419 45134.66  738.609 44187.18  978.061  215.561   1.7651  213.221   2.3630 2.339569 2.949516 
1 1 1    7   34    2 o   83.951   0.8876  6799.68  135.992  6717.25  165.604  6970.36  238.306   83.180   1.0256   84.721   1.4490 -1.541122 1.775272 
1 1 1    7   34    3 o   59.513   0.7853  3416.96   84.367  3380.01  101.759  3498.20  150.893   59.006   0.8884   60.021   1.2951 -1.015285 1.570521 
1 1 1    7   34    4 o  179.641   1.3754 31394.09  457.581 31477.86  568.062 31239.30  772.185  180.014   1.6256  179.267   2.2190 0.7470245 2.750749 
1 1 1    7   34    5 o   67.971   0.8180  4454.09  101.797  4391.03  124.298  4582.54  177.397   67.251   0.9521   68.691   1.3304 -1.440376 1.636014 
1 1 1    7   34    6 o   65.698   0.8077  4201.09   97.585  4221.76  120.258  4161.24  166.979   65.941   0.9395   65.455   1.3142 0.4852676 1.615458 
1 1 1    7   34    7 o   68.599   0.8312  4571.10  104.521  4573.08  128.227  4567.17  180.429   68.628   0.9625   68.570   1.3555 0.5764008E-01 1.662490 
1 1 1    7   34    8 o  117.724   1.0932 13520.87  238.152 13651.14  295.913 13281.37  401.241  118.551   1.2859  116.896   1.7682 1.655014 2.186335 
1 1 1    7   34    9 o   60.257   0.8117  3468.84   88.910  3367.44  107.448  3689.07  158.341   58.890   0.9399   61.625   1.3237 -2.735184 1.623426 
1 1 1    7   34   10 o   86.180   0.9390  7301.29  149.094  7500.27  185.215  6935.00  251.296   87.880   1.0857   84.479   1.5324 3.401382 1.878039 
1 1 1    7   34   11 o   48.544   0.8337  2284.61   73.194  2276.79   88.578  2301.45  129.961   48.420   0.9424   48.667   1.3757 -0.2468948 1.667496 
1 1 1    7   34   12 o   78.804   0.9068  6046.39  131.428  6073.99  161.983  5993.20  224.840   79.081   1.0552   78.527   1.4750 0.5535660 1.813576 
1 1 1    7   34   13 o  126.869   1.2007 15633.78  283.699 15586.73  354.108 15718.09  474.063  126.637   1.4405  127.101   1.9214 -0.4642029 2.401428 
1 1 1    7   34   14 o  126.509   1.2929 15609.33  302.358 15695.45  374.862 15448.99  511.503  127.058   1.5199  125.961   2.0919 1.096748 2.585755 
1 1 1    7   34   15 o   29.846   1.1545  830.272   64.090  749.576   78.469  991.967  111.076   27.766   1.4559   31.926   1.7923 -4.160801 2.309087 
1 1 1    7   34   16 o   92.783   1.0533  8313.76  180.329  8186.22  221.970  8561.34  309.260   91.773   1.2460   93.794   1.6986 -2.021599 2.106567 
1 1 1    7   34   17 o   65.619   0.8902  4197.03  109.053  4224.78  136.879  4148.80  180.444   65.933   1.0695   65.305   1.4234 0.6278534 1.780398 
1 1 1    7   34   18 o   49.048   0.9342  2370.78   82.960  2428.60  101.241  2252.61  144.734   49.990   1.0433   48.107   1.5499 1.882690 1.868312 
1 1 1    7   34   19 o   24.809   1.3910  603.667   65.130  613.929   83.306  587.532  104.458   25.098   1.7099   24.520   2.1946 0.5782013 2.782075 
1 1 1    7   34   20 o   20.766   1.3579  412.629   54.145  490.817   84.263  357.641   70.664   22.405   1.9374   19.128   1.9031 3.277225 2.715805 
1 1 1    7   34   21 o   26.938   1.1273  705.252   58.745  749.071   87.570  669.396   79.213   27.691   1.6291   26.184   1.5585 1.506886 2.254504 
1 1 1    7   34   22 o   45.938   0.8282  2055.08   73.602  2080.04  108.954  2034.13   99.822   46.187   1.2152   45.689   1.1255 0.4975739 1.656371 
1 1 1    7   34   23 o   19.504   1.6320  382.729   60.514  344.492   92.613  411.216   79.938   18.593   2.5661   20.415   2.0171 -1.822823 3.263977 
1 1 1    7   34   24 o   23.938   1.3271  566.262   60.816  571.893   94.296  562.251   79.579   24.002   2.0238   23.874   1.7172 0.1286888 2.654173 
1 1 1    7   34   25 o   34.703   0.9951  1178.66   66.485  1222.23  101.451  1145.86   88.021   35.238   1.4831   34.167   1.3271 1.071327 1.990219 
1 1 1    7   34   26 o   36.151   0.9541  1304.24   65.099  1208.96  102.821  1367.98   84.102   34.966   1.5149   37.337   1.1604 -2.371162 1.908218 
1 1 1    7   34   27 f   7.3390   2.2546  -4.5645   61.926 -60.5694   95.169   36.560   81.552   6.6656   3.0895   8.0125   3.2844 -1.346980 4.509164 
1 1 1    7   34   28 o   14.119   3.1421  249.706   97.327  210.333  142.025  284.567  133.640   13.073   4.5572   15.165   4.3269 -2.092596 6.284144 
1 1 1    7   35    0 o  146.117   1.2455 20857.24  338.307 21154.82  423.159 20330.11  563.197  147.589   1.4770  144.645   2.0058 2.943222 2.490957 
1 1 1    7   35    1 o  122.501   1.0970 14635.25  248.739 14776.88  309.142 14375.22  418.891  123.358   1.2910  121.643   1.7740 1.714600 2.194005 
1 1 1    7   35    2 o   79.824   0.8756  6176.92  128.558  6154.67  158.127  6220.29  220.794   79.618   1.0231   80.029   1.4213 -0.4110870 1.751212 
1 1 1    7   35    3 o   82.471   0.8887  6637.54  135.247  6711.54  167.579  6499.30  229.050   83.141   1.0383   81.801   1.4425 1.339188 1.777318 
1 1 1    7   35    4 o   38.390   0.7891  1413.20   56.295  1371.29   69.644  1492.19   95.619   37.581   0.9547   39.198   1.2566 -1.616795 1.578143 
1 1 1    7   35    5 o  160.715   1.3164 25119.53  391.133 25152.90  484.408 25057.03  663.000  160.903   1.5509  160.527   2.1276 0.3759766 2.632900 
1 1 1    7   35    6 o   59.399   0.9064  3434.29  104.254  3564.45  144.234  3291.90  150.863   60.581   1.2265   58.216   1.3350 2.365631 1.812860 
1 1 1    7   35    7 o   54.235   0.7939  2881.16   77.707  2924.62   94.315  2789.32  137.120   54.883   0.8853   53.587   1.3182 1.295952 1.587851 
1 1 1    7   35    8 o   20.673   1.3330  403.780   51.259  377.062   63.051  455.863   88.031   19.697   1.6490   21.649   2.0948 -1.951839 2.665951 
1 1 1    7   35    9 o   45.933   0.8275  2040.28   68.984  2024.35   83.663  2074.11  121.924   45.659   0.9439   46.206   1.3593 -0.5467758 1.654930 
1 1 1    7   35   10 o   44.166   0.8261  1914.25   66.352  1951.99   81.190  1838.36  115.135   44.834   0.9329   43.497   1.3636 1.337101 1.652156 
1 1 1    7   35   11 o   48.088   0.8460  2242.62   73.773  2235.81   89.500  2257.04  130.299   47.982   0.9609   48.194   1.3928 -0.2122116 1.692096 
1 1 1    7   35   12 o   35.693   0.9747  1243.37   63.018  1252.98   76.588  1223.22  110.887   35.916   1.0985   35.471   1.6104 0.4449921 1.949432 
1 1 1    7   35   13 o   41.138   0.9277  1632.63   69.782  1609.62   85.103  1679.84  121.907   40.707   1.0770   41.569   1.5108 -0.8619690 1.855353 
1 1 1    7   35   14 o   68.585   0.8835  4553.28  111.457  4515.84  136.946  4626.75  191.824   68.182   1.0347   68.988   1.4324 -0.8058472 1.767022 
1 1 1    7   35   15 o   84.268   0.9778  6872.15  152.143  6801.04  187.637  7008.62  259.953   83.657   1.1555   84.878   1.5777 -1.221672 1.955580 
1 1 1    7   35   16 o   92.320   1.0729  8316.64  182.893  8375.06  226.554  8207.32  309.901   92.819   1.2574   91.820   1.7387 0.9993591 2.145703 
1 1 1    7   35   17 o   36.644   1.0242  1320.13   67.332  1343.26   81.382  1269.95  119.875   37.175   1.1277   36.113   1.7100 1.061893 2.048391 
1 1 1    7   35   18 o   36.665   1.0529  1309.90   71.608  1313.35   89.065  1303.59  120.423   36.749   1.2485   36.581   1.6958 0.1673813 2.105876 
1 1 1    7   35   19 o   13.439   2.4309  196.896   65.477  247.934   82.725  111.298  107.133   15.650   2.8272   11.228   3.9552 4.421556 4.861737 
1 1 1    7   35   20 o   31.752   1.0926  977.134   66.257  949.133   85.754  1018.61  104.367   31.204   1.4157   32.300   1.6645 -1.095537 2.185164 
1 1 1    7   35   21 o   35.467   1.1225  1269.52   73.677  1388.44   93.946  1079.52  118.747   37.738   1.2824   33.197   1.8427 4.540783 2.245062 
1 1 1    7   35   22 o   52.618   0.9574  2696.01   94.652  2672.77  119.450  2735.21  155.168   52.355   1.1754   52.882   1.5116 -0.5278549 1.914749 
1 1 1    7   35   23 o   53.683   0.9718  2809.32   98.439  2769.68  124.906  2874.31  159.925   53.238   1.2086   54.127   1.5221 -0.8891411 1.943572 
1 1 1    7   35   24 o   57.098   0.9698  3181.86  103.572  3131.37  129.665  3270.86  172.146   56.560   1.1810   57.636   1.5386 -1.076519 1.939636 
1 1 1    7   35   25 o   27.658   1.4547  757.976   77.552  712.498  102.649  818.457  118.375   26.730   1.9783   28.587   2.1332 -1.856699 2.909317 
1 1 1    7   35   26 o   8.5690   2.5280   34.678   69.691   39.715   92.967   28.216  105.295   8.5048   3.4989   8.6331   3.6497 -0.1283264 5.055940 
1 1 1    7   35   27 o   27.627   1.5515  775.086   81.440  762.049  104.691  795.065  129.603   27.467   1.9635   27.786   2.4028 -0.3195801 3.103047 
1 1 1    7   36    0 o   71.650   0.8238  4995.72  108.297  5017.74  133.133  4952.67  186.193   71.890   0.9540   71.411   1.3432 0.4787827 1.647503 
1 1 1    7   36    1 o  126.536   1.1471 15568.68  267.867 15598.90  331.122 15511.46  455.669  126.732   1.3460  126.339   1.8580 0.3930359 2.294297 
1 1 1    7   36    2 f  139.124   1.2158 18895.48  314.715 19122.39  393.853 18494.69  523.444  140.307   1.4461  137.940   1.9549 2.367386 2.431575 
1 1 1    7   36    3 f   32.349   0.9150  1041.96   53.839  1095.19   66.480  940.519   91.774   33.584   1.0197   31.115   1.5195 2.469542 1.829932 
1 1 1    7   36    4 o  149.427   1.2750 21674.87  351.505 21616.81  433.911 21785.69  599.518  149.167   1.4985  149.686   2.0633 -0.5185852 2.550024 
1 1 1    7   36    5 o  154.184   1.2888 23162.87  367.434 23293.25  455.652 22920.46  621.313  154.840   1.5159  153.529   2.0848 1.311340 2.577656 
1 1 1    7   36    6 o  103.959   1.0304 10546.79  196.751 10647.39  242.465 10352.83  336.671  104.704   1.1929  103.213   1.6804 1.491280 2.060769 
1 1 1    7   36    7 o   21.946   1.3997  512.129   52.345  577.416   63.279  370.625   93.160   24.380   1.3371   19.512   2.4595 4.867855 2.799489 
1 1 1    7   36    8 o  173.858   1.3870 29391.36  448.379 29386.56  558.941 29400.02  750.974  173.885   1.6559  173.830   2.2255 0.5493164E-01 2.773993 
1 1 1    7   36    9 o   50.778   0.8145  2485.73   74.379  2455.29   89.392  2554.23  134.094   50.284   0.9158   51.273   1.3473 -0.9889069 1.629058 
1 1 1    7   36   10 o  120.359   1.1346 14066.94  251.294 14034.27  309.371 14130.31  430.834  120.184   1.3261  120.534   1.8413 -0.3506241 2.269147 
1 1 1    7   36   11 o   26.651   1.1464  680.728   55.255  664.222   66.545  717.377   99.156   26.146   1.3111   27.156   1.8810 -1.010355 2.292849 
1 1 1    7   36   12 o   46.166   0.8693  2033.60   72.975  1968.13   88.163  2176.04  130.048   45.015   1.0089   47.317   1.4159 -2.302017 1.738568 
1 1 1    7   36   13 o  110.384   1.1145 11836.83  225.620 11813.44  276.789 11883.15  389.486  110.255   1.2933  110.513   1.8156 -0.2576294 2.229091 
1 1 1    7   36   14 o   32.303   1.1070  1028.14   64.695  1052.55   78.884  977.971  113.066   32.909   1.2348   31.697   1.8376 1.212683 2.213958 
1 1 1    7   36   15 o   78.003   0.9709  5923.28  139.454  5939.70  172.028  5891.80  238.164   78.182   1.1335   77.823   1.5765 0.3588409 1.941723 
1 1 1    7   36   16 o   49.369   0.8742  2403.19   81.746  2543.25  106.489  2202.25  127.554   51.156   1.0724   47.583   1.3810 3.573151 1.748432 
1 1 1    7   36   17 o   45.807   0.9543  2033.18   80.130  2017.57   98.124  2064.44  138.830   45.560   1.1095   46.054   1.5529 -0.4941902 1.908546 
1 1 1    7   36   18 o   46.789   0.9114  2127.31   80.222  2120.00  101.533  2139.45  130.874   46.695   1.1201   46.883   1.4381 -0.1874275 1.822831 
1 1 1    7   36   19 o   17.944   2.0897  334.878   66.676  364.213   83.689  283.894  110.327   19.280   2.2361   16.608   3.5310 2.672724 4.179432 
1 1 1    7   36   20 o   49.249   0.8981  2371.94   83.356  2401.24  106.242  2325.01  134.442   49.669   1.1019   48.828   1.4184 0.8402786 1.796130 
1 1 1    7   36   21 o   55.757   0.8904  3040.97   93.962  3073.96  120.563  2989.93  149.962   56.174   1.1056   55.340   1.3960 0.8335037 1.780778 
1 1 1    7   36   22 o   15.377   2.3460  253.810   67.781  290.543   86.968  196.971  108.181   17.084   2.6225   13.669   3.8906 3.414227 4.691922 
1 1 1    7   36   23 o   24.720   1.5398  597.545   72.857  551.136   94.124  666.919  115.078   23.574   2.0568   25.866   2.2919 -2.291763 3.079532 
1 1 1    7   36   24 o   24.581   1.6124  604.876   74.803  603.000   95.295  607.889  120.740   24.622   1.9938   24.540   2.5346 0.8247185E-01 3.224834 
1 1 1    7   36   25 o   40.787   1.0933  1658.90   85.086  1736.40  112.198  1554.00  130.530   41.994   1.3764   39.579   1.6989 2.414402 2.186501 
1 1 1    7   36   26 o   11.727   2.7003  142.467   71.557   93.972   93.756  210.132  110.748   9.9103   3.6708   13.544   3.9613 -3.633687 5.400646 
1 1 1    7   36   27 o   19.582   2.2393  400.218   80.014  266.752  103.168  601.681  126.753   15.267   3.5486   23.898   2.7323 -8.630824 4.478617 
1 1 1    7   37    0 o   84.188   0.9206  6843.95  140.218  6774.87  169.478  6993.83  249.640   83.529   1.0452   84.847   1.5157 -1.318390 1.841150 
1 1 1    7   37    1 o  129.559   1.1874 16248.72  281.272 16127.39  343.546 16495.41  489.871  128.853   1.3735  130.265   1.9373 -1.411819 2.374752 
1 1 1    7   37    2 o   40.932   0.8383  1676.44   61.150  1759.97   74.190  1499.45  107.990   42.576   0.8977   39.288   1.4160 3.287189 1.676542 
1 1 1    7   37    3 o   70.855   0.8459  4912.10  109.993  4989.75  135.652  4763.03  187.940   71.686   0.9748   70.024   1.3826 1.661896 1.691735 
1 1 1    7   37    4 o  101.854   1.0302 10158.41  193.928 10346.89  241.165  9813.52  326.228  103.216   1.2036  100.491   1.6724 2.725288 2.060470 
1 1 1    7   37    5 o   98.492   1.0097  9473.18  183.378  9583.39  227.052  9266.41  310.990   99.335   1.1775   97.648   1.6407 1.686432 2.019462 
1 1 1    7   37    6 o   29.921   1.0408  866.875   54.812  862.798   64.939  876.977  102.214   29.806   1.1224   30.037   1.7531 -0.2305794 2.081567 
1 1 1    7   37    7 o   90.504   0.9707  7948.53  160.057  7931.45  195.070  7983.71  280.000   90.370   1.1120   90.638   1.5914 -0.2681198 1.941413 
1 1 1    7   37    8 o   46.809   0.8193  2107.32   70.584  2064.02   86.529  2193.43  122.024   46.103   0.9669   47.515   1.3230 -1.412262 1.638630 
1 1 1    7   37    9 o   45.315   0.8389  1995.70   68.336  1997.24   82.361  1992.32  122.422   45.350   0.9356   45.280   1.3928 0.7054138E-01 1.677849 
1 1 1    7   37   10 o  115.629   1.1235 13039.27  239.974 13135.45  297.392 12859.75  406.289  116.270   1.3176  114.987   1.8202 1.283524 2.247074 
1 1 1    7   37   11 o   89.120   0.9684  7737.12  158.508  7776.42  195.091  7660.79  271.892   89.472   1.1233   88.768   1.5779 0.7042007 1.936865 
1 1 1    7   37   12 o   51.741   0.8550  2622.55   81.780  2673.30  101.755  2529.98  137.436   52.462   0.9992   51.020   1.3877 1.442924 1.709999 
1 1 1    7   37   13 o   56.126   0.8620  3032.83   89.313  2971.75  109.865  3151.85  153.364   55.310   1.0233   56.941   1.3875 -1.631180 1.724011 
1 1 1    7   37   14 o   50.798   0.8822  2494.28   82.643  2464.15  101.736  2552.74  141.707   50.361   1.0407   51.236   1.4248 -0.8746109 1.764383 
1 1 1    7   37   15 o   29.258   1.1262  833.260   63.058  834.614   82.568  831.364   97.680   29.293   1.4521   29.223   1.7220 0.6986618E-01 2.252472 
1 1 1    7   37   16 o   56.368   0.8933  3050.71   93.161  2965.63  114.686  3215.74  159.734   55.241   1.0695   57.495   1.4312 -2.253334 1.786677 
1 1 1    7   37   17 o   65.054   0.9290  4119.60  110.755  4125.77  135.900  4107.39  191.124   65.150   1.0746   64.958   1.5157 0.1924210 1.857985 
1 1 1    7   37   18 o   32.146   1.0784  1008.12   66.503  1016.46   87.791  996.895  101.873   32.311   1.3997   31.980   1.6410 0.3310223 2.156872 
1 1 1    7   37   19 o   80.681   1.0111  6394.62  150.689  6510.77  187.306  6181.53  253.710   81.783   1.1798   79.580   1.6424 2.203529 2.022226 
1 1 1    7   37   20 o   18.693   1.8096  338.728   63.613  321.026   79.669  369.866  105.662   18.065   2.2719   19.321   2.8172 -1.256321 3.619148 
1 1 1    7   37   21 o   47.864   0.9112  2247.33   83.498  2312.19  110.282  2160.22  127.815   48.701   1.1666   47.027   1.4001 1.673267 1.822415 
1 1 1    7   37   22 o   23.070   1.5523  524.317   68.713  508.241   89.978  546.809  106.433   22.679   2.0438   23.460   2.3371 -0.7808933 3.104685 
1 1 1    7   37   23 o   43.262   1.0092  1837.31   83.126  1835.38  107.555  1840.17  130.998   43.283   1.2801   43.241   1.5606 0.4138947E-01 2.018485 
1 1 1    7   37   24 o   45.292   1.0083  1991.32   86.854  1894.25  110.996  2144.65  139.491   43.936   1.3014   46.648   1.5405 -2.711891 2.016621 
1 1 1    7   37   25 o   12.350   2.6631  157.197   72.063   93.415   94.879  244.157  110.785   9.9786   3.6934   14.721   3.8375 -4.742605 5.326146 
1 1 1    7   37   26 o   14.286   2.5594  226.658   71.202  183.014   94.696  283.428  108.002   12.713   3.6473   15.860   3.5915 -3.147029 5.118749 
1 1 1    7   37   27 o   10.269   2.7912  105.291   77.898  111.389  101.983   96.750  120.695   10.317   3.8270   10.221   4.0641 0.9535313E-01 5.582380 
1 1 1    7   38    0 o  194.318   1.4481 36552.55  522.364 36165.83  648.224 37268.79  882.170  192.909   1.7310  195.728   2.3219 -2.818954 2.896119 
1 1 1    7   38    1 o   39.725   0.8647  1532.18   61.013  1531.48   72.832  1533.83  111.725   39.715   0.9447   39.735   1.4485 -0.2013779E-01 1.729333 
1 1 1    7   38    2 o  120.826   1.1333 14130.22  251.348 14016.46  308.159 14356.31  434.443  120.125   1.3215  121.528   1.8416 -1.403191 2.266687 
1 1 1    7   38    3 o   89.496   0.9584  7875.56  158.085  8095.75  196.500  7471.60  266.157   91.303   1.1087   87.689   1.5636 3.614845 1.916792 
1 1 1    7   38    4 o   87.972   0.9379  7578.31  150.873  7702.15  185.418  7335.68  259.543   89.057   1.0726   86.887   1.5388 2.170143 1.875733 
1 1 1    7   38    5 o   66.145   0.8199  4202.17   99.156  4112.53  120.707  4388.17  173.876   65.079   0.9555   67.210   1.3327 -2.131424 1.639850 
1 1 1    7   38    6 o   63.382   0.9456  3889.48  116.047  3729.25  157.443  4080.09  171.715   61.959   1.3090   64.806   1.3650 -2.846523 1.891241 
1 1 1    7   38    7 o   89.269   0.9787  7770.01  160.741  7828.24  198.325  7658.52  274.422   89.774   1.1380   88.764   1.5926 1.010139 1.957450 
1 1 1    7   38    8 o   42.793   0.8329  1793.13   63.163  1814.25   75.507  1743.93  115.269   43.224   0.8999   42.363   1.4017 0.8608017 1.665733 
1 1 1    7   38    9 o   30.348   1.0380  875.102   55.983  846.911   66.364  944.670  104.251   29.527   1.1578   31.169   1.7230 -1.641790 2.075921 
1 1 1    7   38   10 o   60.436   0.9680  3549.46  113.549  3548.44  159.267  3550.52  161.931   60.428   1.3578   60.444   1.3801 -0.1641846E-01 1.936024 
1 1 1    7   38   11 o   78.817   0.9092  6057.67  132.226  6105.26  163.670  5968.25  224.362   79.279   1.0635   78.355   1.4751 0.9237976 1.818495 
1 1 1    7   38   12 o   94.726   1.0329  8733.55  178.442  8752.86  217.936  8694.25  310.816   94.912   1.1829   94.540   1.6937 0.3723145 2.065834 
1 1 1    7   38   13 o  100.348   1.0889  9783.92  200.106  9762.39  245.123  9826.94  346.472  100.218   1.2600  100.477   1.7764 -0.2589874 2.177876 
1 1 1    7   38   14 o   40.989   0.9248  1611.02   71.643  1540.79   90.566  1728.45  117.115   39.818   1.1717   42.160   1.4310 -2.341923 1.849535 
1 1 1    7   38   15 o   68.599   0.8980  4524.41  114.228  4407.30  141.057  4747.51  194.693   67.341   1.0791   69.857   1.4357 -2.515404 1.796027 
1 1 1    7   38   16 o   72.670   0.9560  5086.13  127.533  4984.43  155.953  5291.45  221.584   71.609   1.1219   73.731   1.5482 -2.122536 1.911960 
1 1 1    7   38   17 o   52.457   0.9282  2707.93   90.290  2786.03  113.054  2570.38  150.033   53.533   1.0879   51.380   1.5043 2.152092 1.856446 
1 1 1    7   38   18 o   51.699   0.9071  2590.55   87.839  2558.46  110.242  2646.36  145.364   51.283   1.1074   52.116   1.4369 -0.8327942 1.814111 
1 1 1    7   38   19 o   36.138   1.0748  1264.98   71.977  1243.51   89.014  1305.53  122.338   35.726   1.2835   36.550   1.7243 -0.8244247 2.149547 
1 1 1    7   38   20 o   56.455   0.9247  3102.61   96.537  3088.06  119.434  3130.04  163.958   56.307   1.0927   56.603   1.4922 -0.2959061 1.849497 
1 1 1    7   38   21 o   87.565   1.0536  7506.46  171.475  7520.07  213.835  7481.94  287.011   87.776   1.2550   87.353   1.6926 0.4225998 2.107102 
1 1 1    7   38   22 o   9.8985   2.2840   57.608   62.978 -64.8606   87.249  190.824   90.997   6.4139   2.9677   13.383   3.4728 -6.969200 4.568058 
1 1 1    7   38   23 o   6.5849   2.1562 -70.1982   66.166 -33.5631   87.127 -120.1137  101.701   6.8819   3.0991   6.2879   2.9988 0.5939965 4.312440 
1 1 1    7   38   24 o   11.693   2.6848  142.633   69.597  118.038   92.526  174.682  105.619   10.752   3.6820   12.633   3.9083 -1.880517 5.369557 
1 1 1    7   38   25 o   9.9823   2.6473   88.208   70.030   57.006   94.952  125.424  103.701   8.9750   3.5927   10.990   3.8892 -2.014568 5.294644 
1 1 1    7   38   26 o   12.275   2.3476  163.907   70.080  296.311   95.589   10.034  103.048   16.450   3.1074   8.0998   3.5199 8.350128 4.695265 
1 1 1    7   39    0 o  120.549   1.1197 14184.24  250.551 14339.92  312.547 13904.28  419.120  121.500   1.3252  119.598   1.8053 1.902245 2.239470 
1 1 1    7   39    1 o   89.461   0.9386  7851.47  155.179  8034.95  193.236  7518.25  260.410   90.960   1.0944   87.963   1.5251 2.997101 1.877122 
1 1 1    7   39    2 o   41.472   0.8477  1721.79   62.768  1810.42   76.301  1536.27  110.397   43.180   0.9103   39.765   1.4302 3.415344 1.695308 
1 1 1    7   39    3 o  116.221   1.1222 13115.17  239.817 13091.62  295.012 13161.07  411.780  116.090   1.3091  116.352   1.8232 -0.2616196 2.244485 
1 1 1    7   39    4 o  115.780   1.1208 13162.29  239.445 13478.29  297.690 12583.19  402.993  117.793   1.3019  113.768   1.8248 4.024406 2.241607 
1 1 1    7   39    5 o   15.408   1.7399  229.004   47.743  218.318   57.859  251.807   84.519   14.982   1.9894   15.833   2.8549 -0.8511992 3.479744 
1 1 1    7   39    6 o  134.548   1.2333 17696.20  305.821 17906.74  378.474 17300.12  519.105  135.746   1.4363  133.350   2.0054 2.396072 2.466682 
1 1 1    7   39    7 o   33.774   0.9778  1109.31   59.176  1110.79   71.152  1105.99  106.572   33.818   1.0839   33.729   1.6277 0.8827591E-01 1.955541 
1 1 1    7   39    8 o   12.127   2.3367  142.854   54.148  130.791   66.316  166.984   93.791   11.370   2.9716   12.885   3.6071 -1.514954 4.673460 
1 1 1    7   39    9 o   57.298   0.8273  3151.91   86.776  3079.64  105.729  3301.07  151.893   56.312   0.9672   58.284   1.3425 -1.972733 1.654657 
1 1 1    7   39   10 o   45.513   0.8778  1975.33   73.153  1904.40   88.907  2123.99  128.714   44.279   1.0344   46.747   1.4184 -2.467674 1.755530 
1 1 1    7   39   11 o   79.381   0.9258  6144.30  135.749  6190.85  168.229  6057.41  229.833   79.829   1.0856   78.932   1.5000 0.8972702 1.851638 
1 1 1    7   39   12 o   85.197   1.1129  7056.65  183.980  7330.74  263.213  6794.82  257.264   86.815   1.5619   83.579   1.5857 3.236290 2.225729 
1 1 1    7   39   13 f   48.331   0.8878  2262.66   80.002  2242.77   99.868  2298.30  133.659   48.045   1.0708   48.617   1.4163 -0.5718689 1.775531 
1 1 1    7   39   14 o   67.960   0.9052  4494.91  113.774  4504.54  141.002  4476.94  192.611   68.083   1.0669   67.837   1.4627 0.2460022 1.810449 
1 1 1    7   39   15 o   55.861   0.8996  3044.95   93.001  3070.41  115.534  2998.08  156.747   56.209   1.0589   55.512   1.4546 0.6969719 1.799181 
1 1 1    7   39   16 o   61.324   0.9253  3653.75  104.060  3644.91  127.646  3671.28  179.679   61.235   1.0738   61.412   1.5072 -0.1769142 1.850627 
1 1 1    7   39   17 o   46.038   0.9271  2076.14   79.496  2111.21   99.745  2015.08  131.615   46.593   1.1028   45.483   1.4907 1.110008 1.854298 
1 1 1    7   39   18 o   40.699   1.0031  1600.68   76.147  1565.86   94.822  1663.92  127.785   40.103   1.2180   41.294   1.5941 -1.190983 2.006200 
1 1 1    7   39   19 o   17.600   2.0277  312.211   65.392  314.166   83.023  309.015  106.131   17.859   2.3948   17.341   3.2729 0.5188122 4.055466 
1 1 1    7   39   20 o   68.556   0.9527  4618.07  120.864  4689.92  150.458  4487.35  202.939   69.375   1.1172   67.738   1.5434 1.636864 1.905310 
1 1 1    7   39   21 o   17.772   2.0346  304.347   65.865  199.120   84.056  471.736  106.015   13.776   3.2037   21.767   2.5090 -7.990381 4.069285 
1 1 1    7   39   22 o   14.019   2.2823  207.975   60.800  190.130   83.337  228.283   88.902   13.365   3.2447   14.673   3.2106 -1.307273 4.564637 
1 1 1    7   39   23 o   43.662   0.9544  1875.72   80.264  1907.78  107.586  1835.47  120.536   44.116   1.2563   43.207   1.4371 0.9097214 1.908836 
1 1 1    7   39   24 o   35.360   1.1058  1241.01   75.473  1283.65  102.594  1190.72  111.420   36.064   1.4655   34.655   1.6563 1.409382 2.211540 
1 1 1    7   39   25 o   19.528   1.8967  395.890   71.662  410.065   98.758  380.125  104.148   19.958   2.5492   19.099   2.8092 0.8592110 3.793403 
1 1 1    7   39   26 o   17.192   2.2525  321.088   72.874  247.445   98.369  410.670  108.493   14.712   3.4960   19.671   2.8413 -4.958700 4.505001 
1 1 1    7   40    0 o   9.3233   2.2441   80.950   47.700   99.626   55.433   27.672   93.627   9.9677   2.7669   8.6788   3.5339 1.288830 4.488264 
1 1 1    7   40    1 o   95.636   1.0013  8857.08  174.786  8801.77  213.193  8970.48  305.262   95.197   1.1537   96.074   1.6368 -0.8762360 2.002541 
1 1 1    7   40    2 o   40.144   0.9762  1565.97   76.040  1577.38  106.210  1553.98  108.913   40.295   1.3578   39.994   1.4029 0.3012199 1.952398 
1 1 1    7   40    3 o   60.871   0.8181  3601.05   90.190  3604.98  109.414  3592.70  159.304   60.931   0.9251   60.811   1.3495 0.1193504 1.636135 
1 1 1    7   40    4 o   73.415   0.9882  5234.04  140.544  5190.69  192.317  5283.74  205.895   73.091   1.3555   73.739   1.4384 -0.6473083 1.976445 
1 1 1    7   40    5 o   29.042   1.0261  834.776   53.749  862.410   65.531  777.967   93.958   29.797   1.1329   28.286   1.7112 1.510416 2.052219 
1 1 1    7   40    6 o   30.369   1.0645  905.241   57.796  919.552   69.627  873.529  103.644   30.767   1.1658   29.971   1.7815 0.7964573 2.129023 
1 1 1    7   40    7 o   63.431   0.8330  3920.99   95.356  3942.46  115.449  3874.90  169.153   63.716   0.9334   63.147   1.3799 0.5688019 1.665989 
1 1 1    7   40    8 o   45.043   0.8447  1963.69   68.815  1950.92   83.223  1991.30  122.364   44.820   0.9565   45.266   1.3926 -0.4462662 1.689441 
1 1 1    7   40    9 f  108.245   1.0908 11417.14  217.562 11473.57  268.697 11309.73  370.728  108.663   1.2738  107.827   1.7712 0.8359985 2.181674 
1 1 1    7   40   10 o  100.106   1.0526  9695.18  192.626  9602.83  235.127  9883.68  335.906   99.412   1.2184  100.800   1.7167 -1.387688 2.105139 
1 1 1    7   40   11 o   48.622   0.8737  2319.24   77.462  2362.48   94.999  2233.45  133.809   49.316   0.9924   47.928   1.4382 1.387444 1.747357 
1 1 1    7   40   12 o   34.257   1.0301  1154.01   64.849  1182.20   80.281  1101.07  110.009   34.877   1.1858   33.637   1.6848 1.240440 2.060249 
1 1 1    7   40   13 o   19.309   1.6279  371.127   58.698  393.864   74.890  334.908   94.520   20.107   1.9187   18.511   2.6304 1.595974 3.255846 
1 1 1    7   40   14 o   67.037   0.9146  4365.99  113.532  4356.76  140.746  4383.18  192.090   66.955   1.0829   67.120   1.4743 -0.1652985 1.829280 
1 1 1    7   40   15 o   26.957   1.3869  737.965   67.224  796.484   82.916  625.727  114.832   28.607   1.4931   25.306   2.3376 3.301287 2.773785 
1 1 1    7   40   16 o   73.794   0.9674  5287.24  130.730  5262.48  160.041  5336.87  226.630   73.568   1.1207   74.020   1.5773 -0.4527512 1.934852 
1 1 1    7   40   17 o   25.524   1.3210  641.492   64.601  671.957   86.014  602.070   97.846   26.240   1.6886   24.808   2.0318 1.432150 2.641902 
1 1 1    7   40   18 o   39.982   1.0215  1535.79   75.844  1482.17   93.657  1637.93  129.274   39.009   1.2368   40.955   1.6261 -1.945877 2.043010 
1 1 1    7   40   19 o   49.400   0.8717  2408.69   81.278  2517.74  104.824  2244.28  128.706   50.848   1.0620   47.953   1.3827 2.895386 1.743455 
1 1 1    7   40   20 o   41.194   1.0242  1705.53   77.497  1819.79   97.149  1505.58  128.512   43.199   1.1585   39.190   1.6893 4.009346 2.048389 
1 1 1    7   40   21 o   41.360   1.0031  1696.83   77.709  1760.37   98.859  1594.08  125.710   42.442   1.1999   40.278   1.6078 2.163635 2.006209 
1 1 1    7   40   22 o   9.9827   2.5245   91.838   63.886  125.139   85.360   49.430   96.329   10.981   3.5293   8.9841   3.6108 1.997106 5.049093 
1 1 1    7   40   23 o   24.693   1.4000  607.649   67.082  584.867   94.229  631.061   95.521   24.216   2.0046   25.171   1.9550 -0.9546585 2.800018 
1 1 1    7   40   24 o   6.5397   2.1456 -69.4012   65.651 -102.5964   91.459 -34.1157   94.294   5.9879   2.8524   7.0915   3.2059 -1.103654 4.291179 
1 1 1    7   40   25 o   29.708   1.3321  892.730   76.281  972.562  105.491  805.242  110.433   31.183   1.7428   28.233   2.0150 2.949310 2.664103 
1 1 1    7   40   26 o   10.729   2.7924  123.436   76.479  109.140  104.924  139.641  111.711   10.288   3.8688   11.171   4.0276 -0.8838682 5.584741 
1 1 1    7   41    0 o   46.932   0.8993  2140.47   81.790  2152.48  112.641  2127.07  118.955   47.073   1.2327   46.792   1.3096 0.2812042 1.798531 
1 1 1    7   41    1 o   39.078   0.8969  1490.62   60.943  1499.61   71.823  1467.51  115.169   39.297   0.9415   38.858   1.5268 0.4388008 1.793778 
1 1 1    7   41    2 o   53.747   0.8179  2845.07   79.102  2913.47   96.004  2700.49  139.589   54.775   0.9029   52.719   1.3640 2.056225 1.635783 
1 1 1    7   41    3 o   38.813   0.8729  1463.61   60.574  1463.80   72.680  1463.20  109.610   38.824   0.9644   38.802   1.4552 0.2187347E-01 1.745775 
1 1 1    7   41    4 o  101.351   1.0665  9968.72  197.412  9939.56  241.131 10028.00  343.783  101.150   1.2281  101.552   1.7439 -0.4015961 2.132953 
1 1 1    7   41    5 o   65.531   0.8399  4185.46   99.429  4209.79  120.494  4133.56  176.017   65.840   0.9428   65.221   1.3903 0.6199341 1.679799 
1 1 1    7   41    6 o   72.858   0.8701  5210.03  116.358  5324.83  143.774  4992.08  198.097   74.045   1.0003   71.671   1.4239 2.374268 1.740102 
1 1 1    7   41    7 o   35.776   0.9829  1301.97   61.375  1388.53   73.759  1107.14  110.659   37.811   1.0049   33.742   1.6895 4.068554 1.965747 
1 1 1    7   41    8 o   62.681   0.9494  3820.62  115.391  3874.91  160.109  3761.95  166.450   63.147   1.3062   62.215   1.3782 0.9314194 1.898841 
1 1 1    7   41    9 o   21.738   1.4369  449.923   58.293  425.259   72.151  496.285   98.922   20.907   1.7778   22.569   2.2579 -1.662107 2.873837 
1 1 1    7   41   10 o   41.619   0.9370  1671.81   71.310  1648.94   86.982  1718.69  124.532   41.198   1.0877   42.040   1.5260 -0.8424988 1.873935 
1 1 1    7   41   11 o   61.732   0.8787  3726.40   99.360  3772.61  122.201  3636.25  170.681   62.316   1.0102   61.149   1.4379 1.166466 1.757301 
1 1 1    7   41   12 o  104.455   1.1195 10535.73  216.955 10350.22  268.592 10884.00  368.015  103.177   1.3410  105.733   1.7930 -2.555679 2.239061 
1 1 1    7   41   13 o   36.189   1.0538  1276.22   71.967  1282.45   91.732  1266.24  116.060   36.315   1.3013   36.063   1.6579 0.2517548 2.107570 
1 1 1    7   41   14 o   37.192   1.2442  1351.50   89.477  1221.68  127.051  1479.25  126.034   35.408   1.8485   38.976   1.6658 -3.568645 2.488331 
1 1 1    7   41   15 o   65.240   0.9326  4140.80  111.655  4141.23  137.143  4139.96  192.292   65.269   1.0824   65.210   1.5191 0.5921936E-01 1.865286 
1 1 1    7   41   16 o   62.748   0.9281  3888.38  107.737  4027.21  134.798  3642.86  179.263   64.351   1.0791   61.145   1.5103 3.205620 1.856191 
1 1 1    7   41   17 o   36.028   1.0021  1275.92   68.417  1317.94   88.524  1213.59  107.816   36.789   1.2396   35.267   1.5749 1.521782 2.004200 
1 1 1    7   41   18 o   17.280   2.0683  300.894   64.567  300.633   80.331  301.372  108.525   17.472   2.3685   17.088   3.3914 0.3842487 4.136642 
1 1 1    7   41   19 o   30.275   1.1153  895.446   64.878  888.074   85.681  905.354   99.326   30.146   1.4642   30.404   1.6829 -0.2587280 2.230691 
1 1 1    7   41   20 o   51.934   0.9215  2629.64   89.280  2613.75  111.628  2657.83  148.731   51.765   1.1109   52.103   1.4705 -0.3377037 1.842971 
1 1 1    7   41   21 o   13.470   2.4338  204.078   65.030  246.972   82.514  133.759  105.648   15.399   2.8658   11.542   3.9345 3.857553 4.867589 
1 1 1    7   41   22 o   22.883   1.5366  523.748   66.692  525.888   85.840  520.488  105.930   23.014   1.9215   22.753   2.3984 0.2609634 3.073198 
1 1 1    7   41   23 o   30.282   1.2115  896.634   70.683  797.073   93.395  1030.12  108.142   28.349   1.6972   32.215   1.7293 -3.865746 2.422989 
1 1 1    7   41   24 o   15.898   2.2938  276.455   68.357  287.540   95.426  264.771   97.968   16.291   3.1314   15.505   3.3526 0.7857132 4.587524 
1 1 1    7   41   25 o   38.181   1.1550  1445.70   85.201  1351.58  113.947  1565.04  128.312   36.807   1.5948   39.555   1.6711 -2.747452 2.309980 
1 1 1    7   42    0 o   12.804   1.9871  193.436   37.240  209.322   40.563  108.220   93.950   14.676   1.4238   10.932   3.7104 3.744383 3.974194 
1 1 1    7   42    1 o   25.618   1.1180  643.981   51.692  654.660   62.771  621.477   91.116   25.959   1.2457   25.278   1.8569 0.6810379 2.236036 
1 1 1    7   42    2 o   18.595   1.5852  312.190   52.237  281.012   61.052  397.377  100.917   16.998   1.8503   20.193   2.5745 -3.195454 3.170445 
1 1 1    7   42    3 o   76.615   0.8975  5711.74  125.464  5728.78  153.324  5677.20  218.271   76.802   1.0284   76.429   1.4712 0.3727417 1.795022 
1 1 1    7   42    4 o   38.268   1.0330  1419.85   76.645  1346.91  105.370  1501.81  111.689   37.227   1.4581   39.309   1.4637 -2.082119 2.066037 
1 1 1    7   42    5 o   28.645   1.1088  763.838   57.338  711.151   68.332  889.207  105.406   27.054   1.3012   30.236   1.7959 -3.182732 2.217697 
1 1 1    7   42    6 o   72.867   0.8708  5162.09  116.743  5169.33  143.819  5148.10  199.895   72.954   1.0156   72.780   1.4149 0.1739349 1.741634 
1 1 1    7   42    7 o   91.224   1.1359  8083.05  200.857  7933.38  275.734  8252.26  293.178   90.329   1.5725   92.120   1.6395 -1.790451 2.271747 
1 1 1    7   42    8 o  114.158   1.1413 12697.31  240.391 12750.16  297.290 12597.49  408.584  114.537   1.3371  113.779   1.8499 0.7582550 2.282570 
1 1 1    7   42    9 o   79.696   0.9271  6159.07  135.334  6130.31  165.710  6216.68  234.518   79.436   1.0746   79.956   1.5110 -0.5203934 1.854163 
1 1 1    7   42   10 o   43.072   0.9419  1841.95   73.300  1914.28   89.659  1696.17  127.283   44.388   1.0406   41.756   1.5703 2.632175 1.883784 
1 1 1    7   42   11 o   46.244   0.9086  2057.61   76.783  2017.26   93.463  2141.37  134.671   45.566   1.0567   46.923   1.4785 -1.357334 1.817285 
1 1 1    7   42   12 o   67.218   0.9021  4318.35  110.919  4176.85  134.764  4615.52  195.297   65.559   1.0589   68.877   1.4607 -3.317635 1.804155 
1 1 1    7   42   13 o   39.279   1.0300  1536.60   73.802  1612.93   91.352  1393.16  125.225   40.735   1.1553   37.824   1.7055 2.910259 2.059971 
1 1 1    7   42   14 o  104.975   1.1933 10799.79  230.377 10942.38  284.591 10528.73  392.385  106.049   1.3824  103.901   1.9455 2.147995 2.386638 
1 1 1    7   42   15 o   43.293   1.1694  1822.94   98.271  1822.94   98.271   0.0000   0.0000   43.293   1.1694  ?   ?       ?      ? 
1 1 1    7   42   16 o   58.651   0.9073  3360.35   98.860  3386.70  123.359  3313.04  165.282   59.002   1.0771   58.300   1.4605 0.7017975 1.814667 
1 1 1    7   42   17 o   53.939   0.8931  2820.76   89.736  2786.17  111.799  2883.41  150.453   53.504   1.0764   54.374   1.4254 -0.8694763 1.786204 
1 1 1    7   42   18 o   78.514   0.9876  6030.88  143.249  6061.09  177.471  5974.41  242.663   78.867   1.1592   78.161   1.5994 0.7058487 1.975292 
1 1 1    7   42   19 o   11.438   2.5240  126.682   61.653   99.052   79.526  168.304   97.607   10.157   3.4139   12.719   3.7186 -2.561766 5.048024 
1 1 1    7   42   20 o   41.078   0.9694  1638.35   74.428  1601.53   92.938  1704.17  124.276   40.487   1.1825   41.670   1.5364 -1.182785 1.938786 
1 1 1    7   42   21 o   15.519   2.3013  247.542   65.254  220.149   81.622  296.056  108.625   14.433   3.0107   16.605   3.4813 -2.171315 4.602541 
1 1 1    7   42   22 o   25.213   1.4868  653.284   69.555  710.027   88.929  563.879  111.626   26.786   1.7103   23.640   2.4325 3.146221 2.973551 
1 1 1    7   42   23 o   16.416   2.2433  295.573   68.526  336.808   90.829  241.093  104.403   18.136   2.5800   14.696   3.6706 3.440337 4.486634 
1 1 1    7   42   24 o   8.8395   2.5983   39.325   73.529   16.152   98.981   67.858  109.836   8.1323   3.4913   9.5466   3.8490 -1.414304 5.196564 
1 1 1    7   42   25 o   16.178   2.5218  295.926   76.768  253.051  101.880  352.250  116.771   14.795   3.5850   17.561   3.5477 -2.765487 5.043617 
1 1 1    7   43    0 f   28.089   1.0573  736.525   43.037  721.984   46.947  813.085  107.722   27.267   0.8870   28.910   1.9195 -1.642984 2.114528 
1 1 1    7   43    1 o   67.228   0.9631  4397.17  125.524  4533.35  174.893  4252.48  180.265   68.305   1.3190   66.151   1.4038 2.154625 1.926279 
1 1 1    7   43    2 o  111.079   1.1165 12055.41  227.834 12185.58  280.914 11805.19  389.472  111.989   1.2922  110.169   1.8212 1.819809 2.233051 
1 1 1    7   43    3 o   37.054   0.9585  1368.32   61.695  1413.72   73.200  1256.97  114.637   38.153   0.9884   35.955   1.6425 2.197407 1.916924 
1 1 1    7   43    4 o   60.682   0.8258  3537.66   90.382  3472.31  108.732  3683.76  162.581   59.795   0.9368   61.568   1.3603 -1.773518 1.651680 
1 1 1    7   43    5 o   31.542   1.0503  938.044   58.860  897.785   69.604  1039.10  110.278   30.399   1.1795   32.685   1.7381 -2.286501 2.100525 
1 1 1    7   43    6 o   35.094   0.9630  1207.18   60.668  1224.31   73.294  1169.91  108.122   35.502   1.0635   34.686   1.6058 0.8159676 1.926092 
1 1 1    7   43    7 o   77.058   0.9283  5793.60  129.806  5835.25  157.989  5707.08  227.712   77.505   1.0501   76.612   1.5312 0.8925095 1.856666 
1 1 1    7   43    8 o   57.004   0.8482  3100.46   88.376  2993.80  107.255  3325.99  155.969   55.515   0.9953   58.492   1.3736 -2.976963 1.696306 
1 1 1    7   43    9 o   77.573   0.9255  5886.64  132.456  5970.65  164.219  5730.23  224.075   78.389   1.0792   76.756   1.5039 1.633667 1.851049 
1 1 1    7   43   10 o   51.739   0.8891  2584.01   82.622  2555.08   99.228  2649.40  149.193   51.284   0.9967   52.194   1.4725 -0.9094658 1.778157 
1 1 1    7   43   11 o   41.220   0.9776  1680.47   73.221  1735.46   89.851  1571.75  126.333   42.257   1.0954   40.183   1.6196 2.074203 1.955228 
1 1 1    7   43   12 o   96.118   1.0819  8965.75  189.899  8918.03  231.807  9063.13  331.128   95.772   1.2469   96.464   1.7683 -0.6914902 2.163728 
1 1 1    7   43   13 o   70.829   0.9471  4856.59  122.681  4810.66  149.806  4950.10  213.771   70.349   1.0970   71.309   1.5443 -0.9599838 1.894289 
1 1 1    7   43   14 o   53.258   0.9453  2786.85   93.201  2852.41  116.298  2669.17  155.823   54.164   1.1061   52.353   1.5333 1.810760 1.890627 
1 1 1    7   43   15 o   67.881   0.9406  4455.38  117.492  4389.52  144.220  4585.35  202.598   67.174   1.1060   68.587   1.5217 -1.413223 1.881166 
1 1 1    7   43   16 o   36.152   1.0681  1270.57   72.202  1258.85   90.476  1291.13  119.812   35.947   1.2966   36.357   1.6976 -0.4099159 2.136151 
1 1 1    7   43   17 o   77.747   0.9790  5895.74  140.813  5892.11  174.494  5902.51  238.430   77.774   1.1558   77.721   1.5804 0.5320740E-01 1.957925 
1 1 1    7   43   18 o   14.979   2.2934  227.359   62.820  210.975   78.478  256.584  104.813   14.302   2.9254   15.655   3.5328 -1.353674 4.586854 
1 1 1    7   43   19 o   8.6806   2.4097   47.573   60.404   75.442   76.316   0.8349   98.831   9.2578   3.3299   8.1035   3.4841 1.154282 4.819475 
1 1 1    7   43   20 o   29.470   1.1932  874.767   65.839  940.937   84.769  774.159  104.525   30.972   1.4099   27.967   1.9253 3.005131 2.386376 
1 1 1    7   43   21 o   23.904   1.5014  569.932   67.700  569.163   86.201  571.171  109.366   23.961   1.8533   23.847   2.3625 0.1134567 3.002707 
1 1 1    7   43   22 o   12.603   2.6639  173.896   69.127  174.210   88.110  173.393  111.483   12.623   3.4824   12.583   4.0322 0.4063320E-01 5.327805 
1 1 1    7   43   23 o   10.098   2.6337   98.562   68.712  119.664   87.651   64.918  110.676   10.638   3.5840   9.5588   3.8603 1.079361 5.267495 
1 1 1    7   43   24 o   17.853   2.2468  346.011   75.196  344.474   99.208  348.085  115.277   18.090   2.8251   17.616   3.4945 0.4747791 4.493657 
1 1 1    7   44    0 o   86.307   0.9036  7226.39  130.659  7215.38  150.567  7259.96  262.922   86.198   0.8998   86.416   1.5674 -0.2184753 1.807297 
1 1 1    7   44    1 o   56.965   0.9497  3160.97  104.669  3263.58  143.726  3045.11  152.732   57.955   1.2776   55.975   1.4056 1.979904 1.899456 
1 1 1    7   44    2 o   44.364   0.7977  1937.73   64.555  1990.16   79.375  1835.32  110.945   45.269   0.9033   43.459   1.3151 1.810200 1.595431 
1 1 1    7   44    3 o  163.809   1.3908 26182.28  422.468 26344.59  525.767 25886.53  709.711  164.594   1.6456  163.024   2.2427 1.570007 2.781617 
1 1 1    7   44    4 o   62.843   0.9586  3838.91  116.729  3849.69  160.415  3826.76  170.178   62.940   1.3130   62.747   1.3972 0.1928749 1.917280 
1 1 1    7   44    5 o   59.664   0.8499  3444.47   91.741  3419.44  110.963  3498.52  163.084   59.335   0.9634   59.993   1.4004 -0.6587944 1.699755 
1 1 1    7   44    6 o   37.821   0.9362  1409.28   65.190  1453.04   81.013  1328.87  109.802   38.674   1.0791   36.968   1.5301 1.706585 1.872359 
1 1 1    7   44    7 o  168.952   1.4556 27774.21  456.867 27693.57  568.532 27921.19  767.610  168.696   1.7361  169.208   2.3370 -0.5124359 2.911300 
1 1 1    7   44    8 o   72.486   0.9001  5191.58  120.365  5394.65  150.260  4827.95  201.076   74.515   1.0388   70.457   1.4702 4.058090 1.800151 
1 1 1    7   44    9 o   20.538   1.5640  386.393   58.962  340.792   70.925  488.418  106.087   18.705   1.9534   22.370   2.4430 -3.665438 3.127918 
1 1 1    7   44   10 o   77.456   0.9531  5810.13  134.739  5763.15  164.275  5906.69  235.529   77.006   1.0990   77.907   1.5574 -0.9008255 1.906111 
1 1 1    7   44   11 f   73.294   0.9459  5211.40  126.848  5185.65  155.144  5263.34  220.314   73.046   1.0941   73.542   1.5433 -0.4967270 1.891772 
1 1 1    7   44   12 o   8.6052   2.4785   30.369   64.147   49.591   79.352  -5.8811  108.973   8.6851   3.3411   8.5253   3.6618 0.1598835 4.956978 
1 1 1    7   44   13 o   20.979   1.7542  399.844   68.248  272.702   85.402  624.534  113.531   16.683   2.6371   25.274   2.3141 -8.591238 3.508454 
1 1 1    7   44   14 o   53.250   0.9318  2765.88   91.473  2778.20  113.038  2742.51  155.696   53.447   1.0895   53.053   1.5118 0.3941650 1.863521 
1 1 1    7   44   15 o   38.459   1.0379  1423.36   74.193  1379.33   91.789  1506.36  126.010   37.635   1.2564   39.283   1.6525 -1.647423 2.075891 
1 1 1    7   44   16 o   28.779   1.1862  799.783   64.576  768.163   81.827  851.991  105.145   28.053   1.5026   29.504   1.8359 -1.450239 2.372421 
1 1 1    7   44   17 o   33.203   1.1341  1106.47   69.562  1181.48   87.771  979.791  114.069   34.800   1.2993   31.606   1.8593 3.194141 2.268257 
1 1 1    7   44   18 o   19.110   1.7549  366.970   62.920  382.264   80.409  342.814  101.051   19.688   2.1039   18.531   2.8092 1.157677 3.509709 
1 1 1    7   44   19 o   24.170   1.4349  572.638   65.026  557.022   81.504  599.984  107.856   23.778   1.7658   24.561   2.2622 -0.7834587 2.869733 
1 1 1    7   44   20 o   30.378   1.1144  918.588   64.772  978.045   86.470  842.573   97.771   31.554   1.4117   29.202   1.7248 2.352407 2.228849 
1 1 1    7   44   21 o   9.1035   2.5034   60.874   65.284   93.709   81.911   3.6961  108.091   9.8440   3.4592   8.3630   3.6196 1.481001 5.006778 
1 1 1    7   44   22 o   33.703   1.1972  1124.20   75.550  1112.80   94.907  1143.94  124.826   33.571   1.4564   33.835   1.9005 -0.2643280 2.394385 
1 1 1    7   44   23 o   10.992   2.7022  109.065   70.737   56.702   88.389  202.342  117.971   8.7489   3.4781   13.236   4.1364 -4.486751 5.404372 
1 1 1    7   44   24 o   10.004   2.7081   88.167   73.510   49.778   95.527  143.905  115.106   8.6533   3.5518   11.355   4.0890 -2.701663 5.416177 
1 1 1    7   45    0 o   65.421   0.8137  4160.13   86.391  4161.85   98.190  4154.22  181.767   65.469   0.7726   65.374   1.4323 0.9420013E-01 1.627426 
1 1 1    7   45    1 o   95.620   1.0226  8917.72  179.244  8979.66  220.286  8796.36  308.350   96.137   1.1804   95.103   1.6703 1.034492 2.045268 
1 1 1    7   45    2 f   52.113   0.8586  2609.03   79.776  2564.90   95.120  2713.69  146.478   51.389   0.9535   52.837   1.4281 -1.447514 1.717219 
1 1 1    7   45    3 o   86.014   0.9543  7190.45  150.779  7189.85  185.380  7191.62  259.173   86.028   1.1101   86.000   1.5525 0.2783203E-01 1.908530 
1 1 1    7   45    4 o   72.593   0.8999  5135.78  118.482  5162.35  144.063  5080.24  208.280   72.900   1.0180   72.285   1.4843 0.6151657 1.799899 
1 1 1    7   45    5 o   59.051   0.8459  3409.04   91.007  3449.02  111.315  3328.45  158.045   59.589   0.9623   58.513   1.3914 1.075439 1.691796 
1 1 1    7   45    6 o   39.464   0.9507  1483.40   67.876  1432.32   81.589  1598.24  122.325   38.394   1.0947   40.535   1.5546 -2.140369 1.901380 
1 1 1    7   45    7 o   29.872   1.1910  845.425   64.638  806.083   77.803  933.078  116.131   28.793   1.3920   30.952   1.9329 -2.159225 2.381950 
1 1 1    7   45    8 o   50.338   0.9900  2463.81   96.732  2488.69  137.338  2439.32  136.267   50.590   1.3985   50.086   1.4016 0.5044670 1.979941 
1 1 1    7   45    9 f   41.307   0.9611  1640.42   73.396  1598.66   90.332  1721.55  125.905   40.555   1.1474   42.060   1.5421 -1.505108 1.922149 
1 1 1    7   45   10 o   69.459   0.9249  4614.05  116.809  4476.81  141.197  4911.63  207.923   67.872   1.0717   71.047   1.5076 -3.175270 1.849715 
1 1 1    7   45   11 o   70.121   0.9390  4769.60  120.322  4744.50  146.970  4820.63  209.529   69.867   1.0837   70.375   1.5338 -0.5084152 1.877970 
1 1 1    7   45   12 o   39.264   1.0423  1533.33   74.672  1603.05   92.337  1401.56  126.941   40.603   1.1715   37.925   1.7243 2.677898 2.084614 
1 1 1    7   45   13 o   74.269   0.9664  5397.30  132.150  5457.99  163.365  5282.40  224.779   74.913   1.1234   73.626   1.5728 1.286942 1.932774 
1 1 1    7   45   14 o   23.771   1.5545  570.610   67.977  614.056   85.621  496.527  111.804   25.074   1.7591   22.469   2.5634 2.605597 3.108932 
1 1 1    7   45   15 o   24.442   1.4233  588.901   64.331  597.291   80.003  573.553  108.211   24.726   1.6668   24.158   2.3075 0.5681801 2.846539 
1 1 1    7   45   16 o   51.116   0.8852  2527.03   84.966  2469.12  106.773  2627.03  140.298   50.351   1.0924   51.881   1.3931 -1.529598 1.770334 
1 1 1    7   45   17 o   37.236   1.0312  1327.26   71.606  1259.24   88.617  1455.21  121.548   35.922   1.2708   38.551   1.6242 -2.628426 2.062318 
1 1 1    7   45   18 o   6.5898   2.1258 -47.0377   59.565 -30.4428   76.361 -72.8279   95.195   6.5030   2.9172   6.6766   3.0930 -0.1735620 4.251624 
1 1 1    7   45   19 o   18.076   2.0102  349.404   64.112  383.394   80.475  290.351  106.072   19.638   2.1111   16.514   3.4215 3.124250 4.020323 
1 1 1    7   45   20 o   16.612   1.9641  291.275   60.261  335.511   81.382  237.580   89.662   18.295   2.2915   14.930   3.1906 3.365624 3.928250 
1 1 1    7   45   21 o   25.973   1.4183  676.444   68.347  681.800   85.278  666.824  114.283   26.232   1.6747   25.715   2.2895 0.5169907 2.836611 
1 1 1    7   45   22 o   25.604   1.5418  662.446   73.435  661.246   91.740  664.586  122.520   25.721   1.8374   25.486   2.4765 0.2346077 3.083684 
1 1 1    7   45   23 o   10.443   2.7326  108.211   71.591  100.050   90.244  122.067  117.587   9.9562   3.6153   10.930   4.0985 -0.9740715 5.465196 
1 1 1    7   45   24 o   11.585   2.5152  139.431   77.224  270.802  103.933 -22.4875  115.386   15.311   3.5637   7.8598   3.5504 7.451155 5.030477 
1 1 1    7   46    0 o  118.826   1.1505 13679.71  233.290 13622.12  271.256 13843.35  457.221  118.405   1.1802  119.246   1.9752 -0.8413925 2.300939 
1 1 1    7   46    1 o  101.040   1.0033  9915.64  171.762  9906.17  199.105  9943.19  339.606  100.985   1.0157  101.096   1.7305 -0.1103210 2.006570 
1 1 1    7   46    2 o   57.940   0.8516  3254.80   88.847  3242.64  107.116  3281.59  159.056   57.779   0.9550   58.100   1.4103 -0.3206940 1.703234 
1 1 1    7   46    3 o   54.893   0.8425  2915.61   84.044  2892.74  102.049  2963.81  148.169   54.572   0.9633   55.215   1.3824 -0.6433258 1.684952 
1 1 1    7   46    4 o   30.058   1.1525  866.317   61.203  848.915   72.440  909.721  114.405   29.553   1.2627   30.564   1.9283 -1.010811 2.304957 
1 1 1    7   46    5 f  132.752   1.2594 17180.35  309.062 17237.07  382.978 17074.44  523.341  133.128   1.4820  132.377   2.0366 0.7501984 2.518728 
1 1 1    7   46    6 f   54.233   1.0298  2862.35  108.322  2986.74  152.733  2736.47  153.651   55.421   1.4197   53.044   1.4922 2.377888 2.059671 
1 1 1    7   46    7 o   58.431   0.8757  3307.83   93.034  3287.68  113.067  3350.07  163.708   58.172   1.0013   58.690   1.4369 -0.5185432 1.751396 
1 1 1    7   46    8 o   27.641   1.2070  739.009   62.868  723.823   79.462  764.422  102.792   27.274   1.5009   28.008   1.8907 -0.7336712 2.413972 
1 1 1    7   46    9 o  110.102   1.1838 11866.52  239.934 12007.65  296.604 11599.29  408.127  111.110   1.3752  109.094   1.9272 2.016228 2.367539 
1 1 1    7   46   10 o   45.450   0.9889  2061.30   81.832  2170.86  101.216  1854.51  139.051   47.259   1.1033   43.641   1.6414 3.617706 1.977758 
1 1 1    7   46   11 o   16.698   2.2525  300.191   66.319  341.242   81.861  221.788  113.129   18.688   2.2566   14.709   3.8991 3.978871 4.505002 
1 1 1    7   46   12 o   50.749   0.9462  2508.05   88.554  2511.02  109.376  2502.39  150.875   50.815   1.1088   50.683   1.5335 0.1317558 1.892407 
1 1 1    7   46   13 o   14.981   2.2534  262.586   68.469  391.784   87.844   62.597  109.291   19.991   2.2636   9.9714   3.8972 10.01977 4.506897 
1 1 1    7   46   14 o   56.889   0.9246  3154.10   97.270  3156.07  120.498  3150.43  164.800   56.947   1.0900   56.830   1.4939 0.1175461 1.849285 
1 1 1    7   46   15 o   31.805   1.1609  1020.15   68.470  1115.35   87.517  869.936  109.936   33.818   1.3332   29.793   1.9009 4.024990 2.321816 
1 1 1    7   46   16 o   22.073   1.6534  505.618   66.428  572.408   84.439  397.161  107.602   24.160   1.8004   19.985   2.7737 4.175362 3.306774 
1 1 1    7   46   17 o   22.947   1.5355  540.872   64.297  592.236   80.876  452.646  105.997   24.566   1.6960   21.328   2.5602 3.238209 3.070997 
1 1 1    7   46   18 o   26.996   1.2485  717.717   62.404  716.199   77.414  720.533  105.456   27.017   1.4761   26.974   2.0140 0.4347610E-01 2.497001 
1 1 1    7   46   19 o   28.314   1.2670  808.232   66.741  851.315   84.611  737.281  108.582   29.418   1.4817   27.209   2.0558 2.208429 2.534073 
1 1 1    7   46   20 o   12.178   2.4687  152.278   62.253  105.533   81.547  217.570   96.377   10.227   3.4569   14.129   3.5254 -3.902226 4.937454 
1 1 1    7   46   21 o   28.165   1.3327  780.427   70.942  742.262   89.644  844.379  116.042   27.336   1.6894   28.994   2.0618 -1.657936 2.665495 
1 1 1    7   46   22 o   27.429   1.4446  737.690   73.754  687.102   90.849  835.484  126.315   26.213   1.7854   28.646   2.2716 -2.432901 2.889246 
1 1 1    7   46   23 o   14.098   2.5659  244.476   75.228  319.411   97.430  133.848  118.380   17.063   3.0536   11.133   4.1246 5.930246 5.131888 
1 1 1    7   47    0 o   68.592   0.8441  4598.52   95.183  4621.90  108.912  4522.92  195.835   68.987   0.8133   68.197   1.4793 0.7891769 1.688130 
1 1 1    7   47    1 o   33.183   1.0606  1127.33   51.109  1158.26   56.457  986.909  120.298   34.534   0.8422   31.833   1.9468 2.701288 2.121156 
1 1 1    7   47    2 o   44.809   0.8514  1965.62   70.938  2002.34   88.868  1901.14  117.770   45.399   1.0084   44.219   1.3720 1.179947 1.702742 
1 1 1    7   47    3 o   54.089   0.8750  2865.87   84.657  2901.70  101.935  2786.23  151.982   54.654   0.9608   53.525   1.4627 1.128937 1.750083 
1 1 1    7   47    4 o   30.922   1.1056  938.584   62.689  956.585   77.322  904.055  107.089   31.371   1.2697   30.474   1.8103 0.8968239 2.211219 
1 1 1    7   47    5 o   16.763   1.9957  265.849   59.667  241.930   71.796  319.252  107.278   15.747   2.3488   17.780   3.2270 -2.033849 3.991309 
1 1 1    7   47    6 o   64.326   0.9053  4018.12  106.374  4008.27  129.975  4038.10  185.124   64.225   1.0425   64.426   1.4803 -0.2002411 1.810533 
1 1 1    7   47    7 o   30.523   1.1843  938.291   66.545  1022.10   84.200  798.842  108.610   32.418   1.3380   28.627   1.9545 3.791227 2.368575 
1 1 1    7   47    8 o   80.712   0.9762  6434.28  146.048  6687.53  183.337  5994.48  241.603   82.947   1.1386   78.478   1.5860 4.469116 1.952369 
1 1 1    7   47    9 o   35.613   1.1169  1260.85   71.400  1306.84   86.798  1164.59  125.567   36.661   1.2197   34.566   1.8714 2.095074 2.233776 
1 1 1    7   47   10 o  108.513   1.1816 11456.52  234.638 11427.45  287.230 11514.81  406.807  108.373   1.3654  108.653   1.9288 -0.2801437 2.363124 
1 1 1    7   47   11 o   33.655   1.1501  1084.66   71.298  1045.24   87.198  1164.15  123.842   32.769   1.3708   34.542   1.8470 -1.772961 2.300099 
1 1 1    7   47   12 o   11.320   2.6223  110.756   65.064   76.789   80.796  173.421  109.742   9.5323   3.4265   13.109   3.9705 -3.576428 5.244618 
1 1 1    7   47   13 o   62.342   0.9287  3760.65  106.669  3705.74  131.109  3868.15  183.456   61.709   1.0945   62.974   1.5007 -1.265171 1.857455 
1 1 1    7   47   14 o   41.205   0.9922  1665.76   75.728  1688.66   94.322  1624.22  127.026   41.638   1.1670   40.772   1.6050 0.8658829 1.984363 
1 1 1    7   47   15 o   49.425   0.8969  2357.32   82.889  2291.13  103.427  2476.15  138.589   48.496   1.0987   50.354   1.4179 -1.858131 1.793715 
1 1 1    7   47   16 o   30.210   1.1705  926.973   65.510  1031.73   84.233  766.604  104.217   32.500   1.3351   27.920   1.9229 4.580120 2.340959 
1 1 1    7   47   17 o   22.528   1.5043  501.912   62.766  499.627   77.868  506.149  106.052   22.524   1.7810   22.531   2.4247 -0.7738113E-02 3.008520 
1 1 1    7   47   18 o   15.057   2.2087  235.312   61.509  215.408   79.234  265.501   97.578   14.312   2.9501   15.803   3.2879 -1.491740 4.417393 
1 1 1    7   47   19 o   14.422   2.3399  232.319   64.845  275.056   82.487  163.181  104.917   16.494   2.5764   12.350   3.9068 4.144031 4.679814 
1 1 1    7   47   20 o   20.455   1.8309  462.065   64.780  564.165   84.095  313.060  101.592   23.812   1.8193   17.098   3.1780 6.714909 3.661857 
1 1 1    7   47   21 o   9.5325   2.5969   72.889   66.895   50.607   85.981  107.062  106.480   8.5547   3.4208   10.510   3.9082 -1.955701 5.193833 
1 1 1    7   47   22 o   18.759   2.1347  374.844   72.822  367.190   91.186  388.322  120.999   18.852   2.4918   18.667   3.4668 0.1847095 4.269411 
1 1 1    7   47   23 o   13.458   2.7007  199.883   73.287  145.158   92.429  292.540  120.270   11.267   3.6768   15.649   3.9568 -4.382424 5.401384 
1 1 1    7   48    0 o   91.398   1.0473  8046.83  170.974  7929.20  204.267  8322.06  312.462   90.329   1.1649   92.468   1.7408 -2.139465 2.094602 
1 1 1    7   48    1 o   52.036   0.8223  2664.64   69.544  2692.87   79.300  2570.61  144.719   52.659   0.7758   51.414   1.4500 1.244843 1.644523 
1 1 1    7   48    2 o   23.070   1.4693  480.814   61.045  425.108   72.117  621.610  114.653   20.897   1.7778   25.242   2.3398 -4.345150 2.938614 
1 1 1    7   48    3 o   51.921   0.8770  2608.07   81.945  2587.65   98.653  2653.52  147.171   51.609   0.9847   52.233   1.4515 -0.6236687 1.753987 
1 1 1    7   48    4 o   41.191   0.9009  1653.37   69.725  1664.54   88.316  1634.89  113.604   41.386   1.0993   40.997   1.4275 0.3885956 1.801746 
1 1 1    7   48    5 o   12.563   2.3969  174.408   61.424  217.151   73.693   77.132  111.172   14.673   2.6863   10.452   3.9704 4.220834 4.793718 
1 1 1    7   48    6 o   15.784   2.1692  239.328   60.938  213.264   73.851  294.938  107.873   14.533   2.7176   17.034   3.3817 -2.500500 4.338379 
1 1 1    7   48    7 f   74.330   0.9405  5353.38  127.829  5314.22  156.162  5432.89  222.537   73.945   1.0879   74.716   1.5344 -0.7708664 1.880919 
1 1 1    7   48    8 o   92.370   1.0611  8339.20  180.212  8414.37  222.320  8195.15  307.739   93.022   1.2312   91.718   1.7285 1.303543 2.122139 
1 1 1    7   48    9 o   24.319   1.5287  569.248   68.669  551.276   84.329  604.618  118.303   23.779   1.8269   24.858   2.4517 -1.079348 3.057490 
1 1 1    7   48   10 o  122.488   1.2994 14638.19  292.232 14637.08  359.200 14640.37  502.571  122.586   1.5095  122.391   2.1154 0.1949081 2.598713 
1 1 1    7   48   11 o   57.110   0.9172  3200.61   96.568  3257.38  119.750  3095.05  163.303   57.869   1.0660   56.351   1.4929 1.518578 1.834424 
1 1 1    7   48   12 o   28.904   1.2742  806.562   68.097  784.641   83.804  849.169  116.833   28.362   1.5222   29.446   2.0440 -1.084253 2.548498 
1 1 1    7   48   13 o   46.910   0.9449  2131.89   82.156  2100.65  101.674  2190.66  139.453   46.448   1.1277   47.372   1.5165 -0.9237061 1.889816 
1 1 1    7   48   14 o   17.494   1.9814  284.762   63.195  203.074   78.511  435.073  106.499   14.029   2.9752   20.959   2.6177 -6.929647 3.962787 
1 1 1    7   48   15 f   20.979   1.6333  424.723   64.141  398.507   79.655  473.065  108.169   20.121   2.0394   21.836   2.5519 -1.715479 3.266679 
1 1 1    7   48   16 o   21.191   1.5356  441.167   61.738  428.770   78.861  460.793   99.227   20.850   1.9484   21.532   2.3740 -0.6816788 3.071211 
1 1 1    7   48   17 o   16.401   2.1516  282.759   64.395  295.944   81.609  261.005  104.825   17.191   2.4454   15.610   3.5407 1.581095 4.303110 
1 1 1    7   48   18 o   11.502   2.4711  129.402   61.862   76.481   80.890  203.962   96.014   9.2945   3.4155   13.709   3.5720 -4.414069 4.942177 
1 1 1    7   48   19 o   31.310   1.1809  956.009   69.702  913.693   87.769  1028.27  114.693   30.448   1.4850   32.172   1.8365 -1.723648 2.361764 
1 1 1    7   48   20 o   6.7482   2.1986 -57.2792   63.987 -75.1603   80.591 -26.7823  105.249   5.8575   2.7565   7.6390   3.4259 -1.781487 4.397143 
1 1 1    7   48   21 o   41.372   1.0374  1685.90   81.129  1653.39  103.165  1738.59  131.339   40.943   1.2980   41.801   1.6186 -0.8573799 2.074798 
1 1 1    7   48   22 o   9.7087   2.6714   86.463   70.867   88.791   89.107   82.457  116.899   9.5336   3.5692   9.8838   3.9758 -0.3501806 5.342879 
1 1 1    7   49    0 o   74.262   0.8666  5299.84  107.370  5242.31  123.204  5481.49  218.933   73.463   0.8639   75.060   1.5026 -1.596733 1.733247 
1 1 1    7   49    1 o   79.104   0.9297  6069.19  120.722  6055.47  137.790  6114.52  250.416   78.952   0.8991   79.256   1.6277 -0.3041306 1.859459 
1 1 1    7   49    2 o   68.639   0.8631  4544.88   95.564  4516.90  108.182  4644.25  203.900   68.193   0.8172   69.084   1.5205 -0.8910217 1.726175 
1 1 1    7   49    3 o   32.344   1.1239  1046.02   65.435  1097.78   80.031  941.642  113.652   33.602   1.2269   31.085   1.8835 2.517004 2.247841 
1 1 1    7   49    4 o   79.238   0.9766  6080.16  139.823  6034.19  168.921  6180.21  249.188   78.795   1.1044   79.681   1.6110 -0.8867645 1.953230 
1 1 1    7   49    5 o   53.313   0.9290  2822.15   89.803  2936.28  110.230  2596.89  154.858   54.969   1.0330   51.656   1.5443 3.312836 1.858003 
1 1 1    7   49    6 o   47.940   0.9070  2204.99   79.434  2148.59   96.536  2323.22  139.780   47.018   1.0577   48.861   1.4737 -1.842510 1.814001 
1 1 1    7   49    7 o   46.928   0.9229  2127.66   79.683  2097.45   97.803  2187.31  137.422   46.452   1.0846   47.404   1.4934 -0.9527588 1.845711 
1 1 1    7   49    8 o   34.626   1.1192  1173.33   69.843  1182.95   84.531  1152.65  123.983   34.873   1.2487   34.379   1.8578 0.4946594 2.238478 
1 1 1    7   49    9 o   41.471   1.0139  1691.36   76.693  1724.65   94.114  1625.55  132.318   42.109   1.1514   40.833   1.6693 1.275455 2.027881 
1 1 1    7   49   10 o   22.488   6.6543   55.370   81.876   46.589   82.090  1738.42  1136.44   8.6635   3.3799   36.313   12.872 -27.64983 13.30855 
1 1 1    7   49   11 o   29.761   1.2583  861.417   69.986  850.433   87.569  880.837  116.437   29.526   1.5278   29.996   1.9997 -0.4695797 2.516551 
1 1 1    7   49   12 o   20.160   1.7391  400.639   65.750  401.388   82.992  399.376  107.754   20.224   2.1139   20.096   2.7622 0.1283722 3.478297 
1 1 1    7   49   13 o   7.9116   2.3457 -42.7545   64.404 -117.3555   81.056   85.000  106.072   5.4469   2.6188   10.376   3.8923 -4.929403 4.691320 
1 1 1    7   49   14 o   9.1079   2.5059   52.605   61.375   41.129   76.262   73.702  103.401   8.2346   3.2443   9.9811   3.8200 -1.746489 5.011771 
1 1 1    7   49   15 o   26.673   1.3175  698.735   65.273  695.424   81.215  704.775  109.696   26.637   1.5707   26.710   2.1157 -0.7286835E-01 2.635005 
1 1 1    7   49   16 o   28.061   1.2338  772.818   64.756  764.343   81.181  787.646  107.373   27.906   1.4986   28.216   1.9603 -0.3105602 2.467565 
1 1 1    7   49   17 o   14.868   2.2759  255.004   64.233  323.188   81.707  144.683  103.931   17.950   2.3450   11.787   3.9014 6.162404 4.551862 
1 1 1    7   49   18 o   25.881   1.3621  658.923   66.623  636.552   84.426  695.850  108.469   25.368   1.7144   26.394   2.1171 -1.025833 2.724175 
1 1 1    7   49   19 o   8.2892   2.4584   28.041   65.412   40.778   81.624   5.1801  109.354   8.2123   3.3156   8.3660   3.6308 -0.1536694 4.916893 
1 1 1    7   49   20 o   17.256   2.5828  332.551   83.042  333.166  127.457  332.097  109.464   17.103   3.9226   17.408   3.3610 -0.3056355 5.165582 
1 1 1    7   49   21 o   15.339   2.3796  292.244   69.850  369.951   87.164  152.782  116.771   18.969   2.3672   11.710   4.1288 7.259263 4.759248 
1 1 1    7   49   22 o   9.1802   2.6452   63.529   73.067   58.397   94.320   71.230  115.547   8.7972   3.5598   9.5631   3.9135 -0.7658825 5.290357 
1 1 1    7   50    0 o  107.757   1.1508 11291.36  205.266 11280.39  235.258 11326.33  420.120  107.730   1.1250  107.784   2.0080 -0.5342102E-01 2.301618 
1 1 1    7   50    1 o   63.302   0.8561  3919.47   89.001  3940.66  101.803  3850.74  183.323   63.695   0.8234   62.909   1.5012 0.7861252 1.712183 
1 1 1    7   50    2 o   35.758   0.8954  1250.86   54.112  1258.83   62.761  1227.78  106.817   35.997   0.8982   35.519   1.5492 0.4784851 1.790752 
1 1 1    7   50    3 o   32.972   1.2042  1107.43   68.265  1171.55   81.091  951.451  126.479   34.714   1.2034   31.231   2.0862 3.482433 2.408442 
1 1 1    7   50    4 o   88.897   1.0423  7655.69  168.587  7591.68  204.925  7789.73  296.544   88.365   1.1947   89.429   1.7082 -1.064949 2.084529 
1 1 1    7   50    5 o   42.775   0.9312  1746.04   73.720  1672.84   90.526  1890.15  127.022   41.482   1.1242   44.068   1.4849 -2.585999 1.862441 
1 1 1    7   50    6 o   45.358   0.9332  2021.23   78.492  2070.92   98.171  1933.17  130.685   46.155   1.0957   44.561   1.5108 1.593555 1.866306 
1 1 1    7   50    7 o   58.969   0.9102  3366.87   97.267  3337.92  117.784  3428.95  172.475   58.597   1.0355   59.340   1.4973 -0.7427673 1.820482 
1 1 1    7   50    8 f   45.044   0.9630  1998.40   78.558  2041.03   95.811  1910.93  137.224   45.812   1.0774   44.276   1.5966 1.535988 1.926097 
1 1 1    7   50    9 o   15.000   2.3063  223.803   63.062  204.476   78.234  259.657  106.557   14.141   2.9457   15.860   3.5496 -1.719858 4.612699 
1 1 1    7   50   10 f   73.138   0.9531  5173.93  127.014  5102.43  154.400  5323.61  223.388   72.410   1.0985   73.865   1.5580 -1.454765 1.906262 
1 1 1    7   50   11 o   26.109   1.3953  698.727   65.531  762.864   81.221  579.104  110.922   27.958   1.4966   24.260   2.3553 3.697556 2.790588 
1 1 1    7   50   12 o   29.129   1.2686  869.747   66.611  952.830   82.805  717.381  112.135   31.248   1.3651   27.009   2.1388 4.239147 2.537290 
1 1 1    7   50   13 o   29.574   1.2129  855.993   65.774  853.852   80.702  860.227  113.515   29.565   1.4062   29.583   1.9767 -0.1804161E-01 2.425835 
1 1 1    7   50   14 o   36.560   1.0429  1294.74   70.400  1265.83   86.602  1351.06  120.880   36.008   1.2390   37.111   1.6780 -1.102558 2.085827 
1 1 1    7   50   15 o   29.346   1.1980  828.895   65.374  785.925   80.616  911.424  111.724   28.310   1.4670   30.382   1.8944 -2.072737 2.395952 
1 1 1    7   50   16 o   37.499   1.0103  1374.92   70.856  1358.55   88.782  1403.65  117.597   37.251   1.2278   37.748   1.6048 -0.4977760 2.020651 
1 1 1    7   50   17 o   8.3191   2.3060   22.518   63.534  102.931   80.903 -106.8672  102.622   10.157   3.4432   6.4812   3.0683 3.675718 4.611914 
1 1 1    7   50   18 o   26.639   1.3645  698.603   68.064  674.182   85.040  742.131  113.536   26.086   1.6794   27.192   2.1509 -1.106220 2.728909 
1 1 1    7   50   19 o   11.621   2.6990  135.807   68.292  103.758   84.606  195.727  115.686   10.101   3.5176   13.141   4.0944 -3.040464 5.397920 
1 1 1    7   50   20 o   16.399   2.5211  301.285   80.021  226.272  112.955  376.862  113.379   13.967   3.9756   18.832   3.1014 -4.865524 5.042277 
1 1 1    7   50   21 o   8.4672   2.4977   40.159   68.716   64.298   87.211   0.6340  111.594   8.7992   3.4685   8.1351   3.5949 0.6641598 4.995396 
1 1 1    7   51    0 o   42.384   0.8370  1663.83   58.077  1597.65   65.645  1902.18  124.587   40.555   0.8339   44.214   1.4516 -3.658932 1.674068 
1 1 1    7   51    1 o   34.741   0.9912  1181.13   54.002  1185.98   60.650  1162.57  118.641   34.939   0.8942   34.543   1.7693 0.3957253 1.982466 
1 1 1    7   51    2 o   45.989   0.8973  2061.91   65.102  2065.52   73.223  2048.30  142.222   46.112   0.8180   45.865   1.5974 0.2466850 1.794686 
1 1 1    7   51    3 o   32.649   1.1558  1025.77   67.040  1007.86   79.722  1069.01  123.880   32.191   1.2758   33.108   1.9275 -0.9178238 2.311501 
1 1 1    7   51    4 o   42.860   0.9280  1795.57   75.092  1824.62   96.067  1749.93  120.396   43.320   1.1424   42.400   1.4628 0.9196129 1.856013 
1 1 1    7   51    5 o   25.880   1.3486  680.929   63.461  745.237   79.446  567.552  105.487   27.666   1.4793   24.094   2.2554 3.572432 2.697295 
1 1 1    7   51    6 o   15.790   2.2117  247.375   61.888  242.174   74.406  259.052  111.486   15.722   2.4381   15.858   3.6909 -0.1362600 4.423436 
1 1 1    7   51    7 o   15.309   2.2466  210.426   64.137  141.737   78.381  349.619  111.577   11.798   3.2956   18.820   3.0541 -7.022872 4.493151 
1 1 1    7   51    8 o   23.968   1.4790  540.239   66.262  485.936   81.656  644.945  113.387   22.294   1.8868   25.642   2.2780 -3.347376 2.957922 
1 1 1    7   51    9 o   29.285   1.2376  837.545   66.499  836.485   81.657  839.634  114.582   29.290   1.4362   29.280   2.0160 0.9927750E-02 2.475242 
1 1 1    7   51   10 o   16.654   2.3323  283.761   73.745  336.868  104.171  230.408  104.412   18.435   2.9110   14.874   3.6447 3.560122 4.664543 
1 1 1    7   51   11 o   33.712   1.0947  1078.49   68.864  1001.38   84.991  1225.86  117.500   32.034   1.3668   35.389   1.7104 -3.355289 2.189420 
1 1 1    7   51   12 o   25.718   1.3459  619.182   64.656  546.509   79.462  761.558  111.222   23.615   1.7335   27.821   2.0594 -4.206587 2.691866 
1 1 1    7   51   13 o   21.152   1.6246  430.878   64.570  398.363   80.463  489.692  108.216   20.101   2.0621   22.203   2.5108 -2.102060 3.249105 
1 1 1    7   51   14 o   12.586   2.2779  178.348   62.652  248.333   78.220   53.089  104.646   15.758   2.5572   9.4134   3.7704 6.344290 4.555807 
1 1 1    7   51   15 o   34.522   1.0854  1133.36   70.251  1033.92   87.081  1318.71  118.887   32.467   1.3817   36.577   1.6744 -4.110287 2.170888 
1 1 1    7   51   16 o   9.1954   2.4960   61.987   61.759   41.718   79.630   92.582   97.833   8.2416   3.2933   10.149   3.7516 -1.907474 4.992062 
1 1 1    7   51   17 o   10.434   2.5798  104.855   62.579   93.425   78.556  124.707  103.524   9.7576   3.3900   11.111   3.8898 -1.353853 5.159678 
1 1 1    7   51   18 o   34.750   1.1618  1199.81   75.485  1204.80   94.973  1191.27  124.387   34.952   1.3998   34.549   1.8547 0.4031410 2.323675 
1 1 1    7   51   19 o   18.251   2.1941  367.342   70.714  392.262   87.897  321.619  119.060   19.622   2.3077   16.881   3.7324 2.740355 4.388219 
1 1 1    7   51   20 o   16.232   2.2965  269.277   70.262  171.829   88.784  432.582  114.933   12.283   3.5338   20.181   2.9339 -7.897613 4.592971 
1 1 1    7   52    0 o   26.543   1.3164  698.948   49.953  704.822   54.693  669.396  122.675   26.928   1.0463   26.159   2.4159 0.7688293 2.632702 
1 1 1    7   52    1 o   22.031   1.5902  483.646   51.612  488.822   56.983  460.004  121.778   22.415   1.3096   21.646   2.8982 0.7696228 3.180356 
1 1 1    7   52    2 o   37.639   0.9656  1393.19   58.155  1404.56   65.866  1352.98  123.858   38.019   0.8925   37.259   1.7125 0.7609558 1.931109 
1 1 1    7   52    3 o   76.918   0.9066  5717.33  115.259  5682.15  131.839  5831.39  237.410   76.468   0.8882   77.367   1.5808 -0.8984222 1.813232 
1 1 1    7   52    4 o   40.456   0.9903  1538.97   74.623  1413.33   91.731  1784.83  128.317   38.112   1.2399   42.800   1.5445 -4.687737 1.980580 
1 1 1    7   52    5 o   41.825   0.9909  1644.05   75.818  1535.67   91.537  1880.89  135.313   39.727   1.1870   43.923   1.5870 -4.195717 1.981818 
1 1 1    7   52    6 o   57.300   0.9140  3147.50   93.696  3071.96  111.843  3325.29  171.584   56.200   1.0252   58.400   1.5135 -2.199963 1.828071 
1 1 1    7   52    7 o   31.163   1.1868  950.244   67.208  953.999   81.863  942.478  117.711   31.291   1.3477   31.036   1.9539 0.2553158 2.373592 
1 1 1    7   52    8 o   61.492   0.9104  3712.32  103.168  3776.38  127.876  3592.89  174.609   62.296   1.0575   60.688   1.4822 1.607998 1.820741 
1 1 1    7   52    9 o   68.963   0.9198  4658.69  117.429  4712.47  146.083  4560.47  197.417   69.574   1.0816   68.351   1.4879 1.223389 1.839515 
1 1 1    7   52   10 o   37.199   1.0234  1354.45   71.898  1365.02   91.844  1337.71  115.547   37.414   1.2646   36.984   1.6095 0.4299355 2.046840 
1 1 1    7   52   11 o   13.618   2.4043  184.508   62.707  144.454   79.987  248.385  101.010   11.821   3.3388   15.415   3.4604 -3.594684 4.808557 
1 1 1    7   52   12 o   37.248   1.0316  1343.89   70.914  1315.09   87.211  1400.08  121.830   36.708   1.2239   37.788   1.6609 -1.079998 2.063106 
1 1 1    7   52   13 o   17.886   1.9086  306.003   64.464  259.677   80.540  388.587  107.535   16.115   2.5746   19.656   2.8183 -3.541092 3.817267 
1 1 1    7   52   14 o   10.188   2.6062   95.497   65.828  108.077   83.644   75.026  106.697   10.424   3.5012   9.9519   3.8614 0.4722967 5.212340 
1 1 1    7   52   15 o   28.181   1.3575  811.460   70.995  883.506   90.806  698.176  113.867   29.944   1.5622   26.418   2.2204 3.526222 2.714905 
1 1 1    7   52   16 o   19.451   1.8245  387.059   67.398  403.373   88.009  363.924  104.808   20.047   2.2616   18.855   2.8636 1.192278 3.648972 
1 1 1    7   52   17 o   23.513   1.5289  534.834   67.695  473.578   84.275  646.245  113.655   21.750   1.9960   25.275   2.3165 -3.524561 3.057821 
1 1 1    7   52   18 o   33.814   1.2190  1138.61   76.491  1137.00   95.214  1141.53  128.449   33.910   1.4465   33.717   1.9625 0.1925468 2.437974 
1 1 1    7   52   19 o   27.547   1.4553  742.875   75.194  674.771   93.267  869.348  127.098   25.913   1.8542   29.182   2.2437 -3.269327 2.910664 
1 1 1    7   52   20 o   9.6702   2.6599   84.889   69.921   74.344   88.446  102.462  114.177   9.0838   3.5181   10.257   3.9903 -1.172812 5.319768 
1 1 1    7   53    0 o   43.833   0.9142  1889.83   62.805  1903.96   70.584  1836.10  137.624   44.266   0.8214   43.399   1.6336 0.8667374 1.828488 
1 1 1    7   53    1 o   64.102   0.8534  3992.80   90.083  3988.18  102.995  4007.83  185.819   64.065   0.8282   64.139   1.4925 -0.7440948E-01 1.706852 
1 1 1    7   53    2 o   38.234   0.9389  1378.90   58.584  1343.12   66.333  1505.78  124.905   37.172   0.9193   39.295   1.6375 -2.123035 1.877878 
1 1 1    7   53    3 o   35.160   1.0094  1123.82   57.232  1065.33   64.141  1352.34  126.772   33.099   0.9983   37.220   1.7546 -4.120667 2.018724 
1 1 1    7   53    4 o   52.534   0.9590  2703.83   90.802  2730.30  109.951  2647.05  161.025   52.977   1.0692   52.091   1.5924 0.8864326 1.918067 
1 1 1    7   53    5 o   38.921   1.0421  1448.20   73.727  1397.68   89.004  1558.66  131.605   37.889   1.2101   39.952   1.6969 -2.062977 2.084229 
1 1 1    7   53    6 o   55.666   0.9032  3034.42   91.515  3064.92  111.807  2972.51  159.295   56.128   1.0262   55.204   1.4865 0.9241104 1.806315 
1 1 1    7   53    7 o   55.193   0.8843  3003.99   90.337  3093.25  112.907  2845.20  150.595   56.380   1.0316   54.006   1.4365 2.373650 1.768550 
1 1 1    7   53    8 o   58.085   0.8898  3313.99   95.635  3374.79  119.111  3203.70  160.431   58.880   1.0421   57.290   1.4426 1.589172 1.779631 
1 1 1    7   53    9 o   56.054   0.8918  3086.35   91.807  3133.99  113.330  2995.41  156.585   56.733   1.0291   55.376   1.4567 1.357220 1.783506 
1 1 1    7   53   10 o   27.438   1.3013  765.356   65.046  827.057   81.250  655.235  108.545   29.092   1.4388   25.783   2.1687 3.308596 2.602576 
1 1 1    7   53   11 o   23.506   1.4983  553.719   64.856  573.880   80.823  517.258  108.688   24.182   1.7217   22.830   2.4525 1.352346 2.996525 
1 1 1    7   53   12 o   50.628   0.9210  2516.22   86.916  2540.65  109.002  2473.57  144.025   51.022   1.1005   50.234   1.4770 0.7881699 1.841914 
1 1 1    7   53   13 o   28.482   1.2978  770.513   69.556  684.516   86.494  927.922  117.020   26.357   1.6905   30.606   1.9696 -4.248768 2.595630 
1 1 1    7   53   14 o   22.659   1.5425  504.103   66.393  472.266   84.466  555.576  107.400   21.792   1.9968   23.526   2.3517 -1.734793 3.085068 
1 1 1    7   53   15 o   16.299   2.2645  285.852   67.601  304.832   85.634  254.462  110.125   17.363   2.5407   15.235   3.7492 2.128843 4.528990 
1 1 1    7   53   16 o   14.508   2.4164  226.590   65.198  216.256   82.040  244.304  107.413   14.191   3.0676   14.825   3.7343 -0.6347542 4.832744 
1 1 1    7   53   17 o   6.6075   2.1903 -76.8168   67.291 -84.0383   84.056 -63.9298  112.288   5.8877   2.7842   7.3272   3.3820 -1.439507 4.380580 
1 1 1    7   53   18 o   28.791   1.4101  851.301   74.339  887.337   92.396  785.156  125.180   29.866   1.5937   27.715   2.3267 2.150854 2.820207 
1 1 1    7   53   19 o   22.516   1.7410  527.385   72.643  529.801   90.627  523.042  121.494   22.817   2.0461   22.216   2.8173 0.6014042 3.481903 
1 1 1    7   54    0 o   36.066   1.0239  1302.80   58.240  1329.14   65.826  1207.87  124.963   36.974   0.9171   35.158   1.8310 1.816170 2.047867 
1 1 1    7   54    1 o   39.056   0.9837  1459.43   60.055  1441.31   67.105  1532.32  134.599   38.504   0.8978   39.609   1.7506 -1.105240 1.967403 
1 1 1    7   54    2 o   57.778   0.8776  3283.59   82.021  3310.87   93.302  3190.80  172.077   58.364   0.8235   57.192   1.5500 1.171692 1.755162 
1 1 1    7   54    3 o   21.645   1.4952  426.920   51.459  405.002   57.383  516.943  116.294   20.381   1.4504   22.909   2.6151 -2.528017 2.990409 
1 1 1    7   54    4 o   39.084   1.0307  1528.34   72.610  1601.06   88.869  1382.30  125.932   40.556   1.1288   37.611   1.7249 2.945107 2.061419 
1 1 1    7   54    5 o   47.947   0.8882  2263.19   78.678  2318.86   97.989  2162.17  131.994   48.815   1.0341   47.079   1.4443 1.735981 1.776323 
1 1 1    7   54    6 o   10.160   2.5020   94.616   59.960  106.032   75.634   75.305   98.371   10.389   3.3203   9.9306   3.7438 0.4583740 5.004054 
1 1 1    7   54    7 o   8.6740   2.3981   9.8050   61.815 -52.0520   77.896  115.009  101.586   6.2261   2.8528   11.122   3.8555 -4.895821 4.796169 
1 1 1    7   54    8 o   19.182   1.8743  397.134   62.240  470.120   79.400  280.814  100.238   21.889   1.8687   16.475   3.2497 5.413944 3.748680 
1 1 1    7   54    9 o   23.534   1.4654  582.806   61.018  658.384   75.670  442.302  103.174   25.946   1.5024   21.122   2.5164 4.824097 2.930781 
1 1 1    7   54   10 o   29.912   1.2565  911.334   67.127  970.402   82.027  791.566  116.803   31.511   1.3410   28.313   2.1252 3.198172 2.512959 
1 1 1    7   54   11 o   40.431   0.9508  1629.66   71.702  1719.35   91.177  1484.29  116.075   41.967   1.1192   38.894   1.5374 3.073292 1.901647 
1 1 1    7   54   12 o   23.529   1.5418  541.030   67.338  518.193   83.048  584.861  115.054   22.895   1.8686   24.164   2.4528 -1.269545 3.083521 
1 1 1    7   54   13 o   25.413   1.4203  645.268   68.119  655.505   87.192  629.232  109.128   25.748   1.7445   25.077   2.2418 0.6709156 2.840559 
1 1 1    7   54   14 o   7.2591   2.2913 -23.2927   64.675  -1.5052   80.601 -62.6831  108.376   7.2213   3.1255   7.2969   3.3514 -0.7558107E-01 4.582644 
1 1 1    7   54   15 o   21.182   1.7425  447.534   68.562  429.716   84.739  481.307  116.667   20.703   2.1085   21.660   2.7748 -0.9564323 3.485016 
1 1 1    7   54   16 o   24.617   1.5060  620.251   69.076  649.095   87.665  573.015  112.186   25.525   1.7693   23.709   2.4376 1.815599 3.012012 
1 1 1    7   54   17 o   31.625   1.2969  1034.39   74.922  1115.61   93.929  892.343  124.222   33.575   1.4412   29.675   2.1564 3.899300 2.593708 
1 1 1    7   54   18 o   33.157   1.2580  1122.07   77.572  1174.55   98.198  1034.95  126.511   34.381   1.4714   31.932   2.0410 2.448605 2.516031 
1 1 1    7   55    0 o   47.179   0.8962  2152.04   67.189  2140.01   75.640  2197.04  146.282   46.919   0.8305   47.439   1.5885 -0.5208473 1.792497 
1 1 1    7   55    1 o   46.991   0.8672  2092.46   65.199  2049.47   73.329  2254.71  142.465   45.915   0.8227   48.066   1.5269 -2.150948 1.734415 
1 1 1    7   55    2 o   36.476   0.9119  1269.25   56.903  1239.86   65.965  1354.71  112.491   35.702   0.9518   37.251   1.5557 -1.548923 1.823743 
1 1 1    7   55    3 o   33.796   0.9999  1063.82   54.998  1024.43   62.058  1207.98  118.724   32.448   0.9852   35.144   1.7403 -2.695927 1.999822 
1 1 1    7   55    4 o   37.005   0.9440  1343.80   58.140  1351.82   66.928  1319.15  117.370   37.277   0.9249   36.733   1.6460 0.5443344 1.888085 
1 1 1    7   55    5 o   14.495   2.3054  215.104   60.286  210.723   73.417  224.175  105.631   14.356   2.7344   14.634   3.7126 -0.2783613 4.610883 
1 1 1    7   55    6 o   18.620   1.7671  318.005   61.247  258.408   74.759  439.648  106.807   16.177   2.3807   21.064   2.6122 -4.886948 3.534298 
1 1 1    7   55    7 o   33.720   1.1181  1081.28   70.096  1010.23   86.187  1220.11  120.472   32.162   1.3805   35.278   1.7592 -3.115524 2.236194 
1 1 1    7   55    8 o   40.450   1.0004  1574.85   73.863  1529.33   89.649  1671.04  130.334   39.599   1.1662   41.300   1.6257 -1.700542 2.000771 
1 1 1    7   55    9 o   26.378   1.3112  674.628   63.749  653.354   78.126  717.014  110.277   25.818   1.5588   26.938   2.1089 -1.119812 2.622473 
1 1 1    7   55   10 o   29.882   1.1835  864.451   65.533  833.429   80.722  924.428  112.238   29.162   1.4259   30.602   1.8894 -1.440058 2.367088 
1 1 1    7   55   11 o   56.126   0.9225  3070.82   94.711  3041.67  115.724  3129.95  164.827   55.809   1.0682   56.444   1.5043 -0.6343994 1.845024 
1 1 1    7   55   12 o   12.164   2.4651  157.382   60.680  149.187   79.847  168.585   93.357   11.818   3.3351   12.509   3.6309 -0.6907492 4.930140 
1 1 1    7   55   13 o   32.175   1.1708  1010.22   70.437  978.626   87.859  1067.06  117.843   31.548   1.4347   32.803   1.8507 -1.254519 2.341631 
1 1 1    7   55   14 o   35.956   1.1103  1262.28   73.592  1230.09   90.342  1325.78  126.877   35.378   1.3155   36.535   1.7890 -1.157394 2.220601 
1 1 1    7   55   15 o   36.236   1.1256  1297.18   76.355  1285.90   95.912  1316.71  126.169   36.119   1.3680   36.353   1.7879 -0.2335510 2.251236 
1 1 1    7   55   16 f   9.0840   2.5774   50.833   67.718   23.255   85.306   97.820  111.350   7.8432   3.2987   10.325   3.9611 -2.481579 5.154846 
1 1 1    7   55   17 o   15.312   2.4790  249.832   70.328  201.095   87.708  337.593  117.697   13.368   3.3785   17.256   3.6288 -3.887890 4.958035 
1 1 1    7   55   18 o   21.803   1.8888  520.305   74.009  564.978   92.071  438.734  124.413   23.553   2.0137   20.053   3.1962 3.500744 3.777671 
1 1 1    7   56    0 o   43.375   0.8560  1807.82   61.372  1785.11   70.100  1882.37  127.005   42.844   0.8429   43.906   1.4902 -1.061337 1.712027 
1 1 1    7   56    1 o   49.423   0.8822  2454.90   70.177  2516.87   80.037  2248.81  145.952   50.876   0.8104   47.971   1.5674 2.905720 1.764484 
1 1 1    7   56    2 o   72.056   0.9088  5103.87  108.520  5142.04  124.725  4984.92  220.160   72.705   0.8837   71.407   1.5883 1.297684 1.817605 
1 1 1    7   56    3 o   42.518   0.9267  1723.54   61.868  1696.23   69.187  1832.48  138.208   41.759   0.8535   43.276   1.6452 -1.517090 1.853409 
1 1 1    7   56    4 o   19.325   1.6417  332.668   53.344  301.056   60.479  443.418  113.202   17.526   1.7777   21.125   2.7606 -3.598885 3.283465 
1 1 1    7   56    5 o   28.910   1.2584  795.267   65.346  757.997   77.898  883.776  120.046   27.852   1.4408   29.968   2.0636 -2.116535 2.516800 
1 1 1    7   56    6 o   9.4670   2.3929   72.444   62.374  128.418   75.752 -45.4095  109.919   11.181   3.2779   7.7527   3.4871 3.428446 4.785841 
1 1 1    7   56    7 o   9.6529   2.4580   80.462   62.280  120.980   75.662  -4.6764  109.677   10.880   3.2972   8.4254   3.6463 2.454970 4.915991 
1 1 1    7   56    8 o   29.473   1.2194  796.845   66.710  671.707   81.101  1058.66  117.308   26.162   1.5970   32.784   1.8433 -6.622221 2.438869 
1 1 1    7   56    9 o   9.1126   2.4543   59.257   64.121  104.683   79.672 -24.2651  108.033   10.273   3.4166   7.9519   3.5244 2.321258 4.908606 
1 1 1    7   56   10 o   21.779   1.5925  447.060   64.935  379.692   79.936  577.762  111.342   19.539   2.1076   24.020   2.3879 -4.481285 3.184981 
1 1 1    7   56   11 o   26.840   1.3335  713.223   67.033  709.240   84.322  720.064  110.496   26.815   1.6200   26.866   2.1188 -0.5127335E-01 2.667094 
1 1 1    7   56   12 o   9.3152   2.5020   71.620   62.188   84.104   79.830   52.349   99.182   9.5062   3.4071   9.1243   3.6650 0.3818169 5.004090 
1 1 1    7   56   13 o   38.933   1.0435  1524.48   75.607  1613.09   96.004  1379.78  122.684   40.549   1.2197   37.317   1.6936 3.231579 2.087088 
1 1 1    7   56   14 f   6.6095   2.1224 -67.7235   65.763   17.667   80.197 -243.0104  114.902   7.5688   3.1917   5.6502   2.7985 1.918688 4.244819 
1 1 1    7   56   15 o   15.579   2.4200  262.237   69.259  242.709   86.978  296.075  114.492   14.948   3.0993   16.211   3.7176 -1.262865 4.840019 
1 1 1    7   56   16 o   14.856   2.3830  270.607   71.051  361.223   90.632  126.114  114.448   18.704   2.4963   11.008   4.0600 7.695626 4.766011 
1 1 1    7   56   17 o   8.9894   2.6347   53.617   72.878   55.528   90.281   50.043  123.474   8.6437   3.4880   9.3350   3.9497 -0.6913385 5.269324 
1 1 1    7   57    0 o   17.356   2.1582  382.742   51.760  428.103   57.758  197.737  116.644   20.935   1.4212   13.778   4.0757 7.157709 4.316349 
1 1 1    7   57    1 o   15.581   2.0851  198.945   50.423  165.597   55.675  351.100  118.923   12.761   2.3335   18.402   3.4562 -5.640306 4.170161 
1 1 1    7   57    2 o   7.4273   2.2959 -44.9457   52.648 -73.0103   59.218   60.900  115.003   4.8531   2.3071   10.001   3.9701 -5.148299 4.591781 
1 1 1    7   57    3 o   44.160   0.9140  1912.08   65.084  1919.07   73.865  1887.83  137.629   44.411   0.8568   43.910   1.6147 0.5013084 1.827925 
1 1 1    7   57    4 o   8.7697   2.3959   53.978   51.840   55.510   59.460   49.121  105.841   8.1081   2.9360   9.4313   3.7868 -1.323218 4.791721 
1 1 1    7   57    5 o   11.883   2.5472  141.813   61.754  132.070   76.643  159.843  104.264   11.306   3.2922   12.460   3.8878 -1.154275 5.094491 
1 1 1    7   57    6 o   32.848   1.0913  1024.61   66.210  956.200   80.761  1164.85  115.628   31.271   1.3305   34.426   1.7303 -3.155125 2.182644 
1 1 1    7   57    7 f   14.908   2.2704  223.368   61.480  196.387   75.823  275.155  105.048   13.706   2.9382   16.110   3.4621 -2.404814 4.540844 
1 1 1    7   57    8 o   26.128   1.3482  647.540   64.965  592.402   78.897  763.644  114.487   24.531   1.6568   27.725   2.1272 -3.194515 2.696340 
1 1 1    7   57    9 o   16.825   2.1289  276.305   66.360  215.753   83.124  382.707  110.189   14.271   3.0900   19.379   2.9292 -5.107193 4.257757 
1 1 1    7   57   10 o   34.708   1.1146  1201.60   71.533  1236.99   89.358  1138.47  119.357   35.514   1.2962   33.903   1.8136 1.611610 2.229214 
1 1 1    7   57   11 o   20.619   1.7285  416.818   67.673  375.602   85.650  485.300  110.403   19.350   2.2803   21.889   2.5983 -2.539053 3.457006 
1 1 1    7   57   12 o   24.488   1.4699  601.690   67.473  605.619   85.291  595.119  110.303   24.695   1.7792   24.280   2.3403 0.4148636 2.939833 
1 1 1    7   57   13 f   11.415   2.6462  142.162   68.106  162.359   85.955  108.093  111.635   12.154   3.4710   10.675   3.9953 1.479393 5.292466 
1 1 1    7   57   14 o   20.810   1.8292  437.686   71.408  415.273   89.238  477.588  119.066   20.218   2.2738   21.402   2.8659 -1.184471 3.658393 
1 1 1    7   57   15 o   25.008   1.6431  632.305   76.528  612.863   95.119  667.987  128.861   24.642   1.9885   25.374   2.6162 -0.7314262 3.286130 
1 1 1    7   57   16 o   18.892   2.3104  410.674   76.672  452.563   95.788  335.981  127.908   20.927   2.3580   16.856   3.9738 4.070711 4.620760 
1 1 1    7   58    0 o   47.398   0.8360  2174.99   65.366  2160.23   74.702  2223.23  135.027   47.120   0.8167   47.677   1.4590 -0.5563507 1.672013 
1 1 1    7   58    1 o   24.665   1.1955  576.335   50.506  554.633   58.423  640.527  100.479   23.835   1.2627   25.495   2.0302 -1.660786 2.390903 
1 1 1    7   58    2 o   47.488   0.8318  2189.48   66.623  2178.35   76.983  2222.69  132.970   47.311   0.8382   47.665   1.4371 -0.3545418 1.663699 
1 1 1    7   58    3 o   13.378   2.0980  173.166   49.165  153.741   58.037  222.532   92.521   12.214   2.5310   14.543   3.3469 -2.328428 4.196099 
1 1 1    7   58    4 o   20.364   1.4255  417.393   50.052  427.136   59.025  392.456   94.431   20.881   1.4562   19.848   2.4510 1.033077 2.850937 
1 1 1    7   58    5 o   12.584   2.2825  159.887   50.196  153.975   57.630  178.475  102.178   12.203   2.5165   12.964   3.8088 -0.7613277 4.565001 
1 1 1    7   58    6 o   8.4392   2.3879   42.620   58.879   62.663   72.446   3.6209  101.054   8.6874   3.2250   8.1910   3.5224 0.4964228 4.775784 
1 1 1    7   58    7 o   16.675   1.9743  279.639   60.714  261.688   76.478  310.235   99.846   16.154   2.4389   17.197   3.1053 -1.042471 3.948536 
1 1 1    7   58    8 o   13.116   2.4483  183.108   61.646  176.770   77.424  194.084  101.893   12.873   3.1288   13.359   3.7667 -0.4854336 4.896669 
1 1 1    7   58    9 o   24.153   1.4152  564.399   64.990  506.471   82.449  659.444  105.610   22.596   1.8797   25.709   2.1162 -3.113556 2.830472 
1 1 1    7   58   10 o   27.702   1.3682  792.637   68.295  853.999   84.479  676.890  116.027   29.450   1.4778   25.954   2.3029 3.495184 2.736310 
1 1 1    7   58   11 o   20.848   1.7785  424.664   69.549  379.475   86.130  509.346  117.905   19.398   2.2874   22.299   2.7239 -2.900885 3.556925 
1 1 1    7   58   12 o   14.890   2.5038  239.944   69.076  224.814   86.030  267.396  115.886   14.394   3.1651   15.386   3.8806 -0.9918976 5.007700 
1 1 1    7   58   13 o   16.084   2.2704  278.241   67.732  257.109   88.651  307.875  104.981   15.413   3.0708   16.755   3.3449 -1.341312 4.540729 
1 1 1    7   58   14 o   8.9696   2.5879   41.109   68.751   9.4845   84.913  101.297  117.143   7.4904   3.2251   10.449   4.0483 -2.958360 5.175872 
1 1 1    7   58   15 o   10.391   2.5448  113.439   71.529  179.468   88.314 -12.4705  121.953   12.524   3.4981   8.2590   3.6970 4.264930 5.089639 
1 1 1    7   59    0 o   10.920   2.7088  124.163   57.144  124.163   57.144   0.0000   0.0000   10.920   2.7088  ?   ?       ?      ? 
1 1 1    7   59    1 o   8.7700   2.4526   40.614   50.310   30.516   55.780   84.652  116.488   7.0532   2.7759   10.487   4.0442 -3.433671 4.905250 
1 1 1    7   59    2 o   6.0758   2.0584 -74.0609   49.439 -74.9804   54.476 -69.7667  117.722   4.5181   2.1655   7.6334   3.5011 -3.115364 4.116714 
1 1 1    7   59    3 o   7.8477   2.3312   22.804   49.536   24.538   55.001   15.358  113.981   6.8125   2.7318   8.8829   3.7782 -2.070415 4.662354 
1 1 1    7   59    4 o   28.451   1.1077  790.711   61.175  790.711   61.175   0.0000   0.0000   28.451   1.1077  ?   ?       ?      ? 
1 1 1    7   59    5 o   23.811   1.3778  511.221   54.300  469.746   61.252  663.458  117.351   21.872   1.4427   25.749   2.3478 -3.877361 2.755576 
1 1 1    7   59    6 o   20.825   1.7775  454.440   65.889  487.309   80.665  388.543  114.215   22.172   1.8742   19.477   3.0209 2.695580 3.555065 
1 1 1    7   59    7 o   22.124   1.5768  485.883   64.620  476.726   79.933  503.158  109.788   21.922   1.8783   22.326   2.5332 -0.4035530 3.153637 
1 1 1    7   59    8 o   22.141   1.5747  508.876   63.957  558.941   81.060  426.305  104.101   23.766   1.7571   20.517   2.6138 3.248363 3.149481 
1 1 1    7   59    9 o   14.384   2.2435  248.714   62.828  328.068   78.745  109.705  104.223   18.071   2.2448   10.696   3.8850 7.375095 4.486904 
1 1 1    7   59   10 o   16.762   2.2370  338.609   66.211  432.549   83.548  179.984  108.566   20.770   2.0722   12.755   3.9652 8.015516 4.474010 
1 1 1    7   59   11 o   23.688   1.6027  582.677   68.916  614.704   85.310  522.514  116.925   24.841   1.7691   22.535   2.6729 2.306322 3.205387 
1 1 1    7   59   12 o   7.1902   2.3262 -52.1147   68.526 -76.2207   84.246  -4.9795  117.803   5.9925   2.8195   8.3879   3.7008 -2.395415 4.652439 
1 1 1    7   59   13 o   20.101   1.8432  404.110   69.470  364.839   86.098  477.377  117.601   18.872   2.3502   21.331   2.8401 -2.458954 3.686449 
1 1 1    7   59   14 o   28.566   1.4021  820.387   75.569  797.709   95.694  857.963  123.176   28.182   1.7492   28.951   2.1918 -0.7686882 2.804244 
1 1 1    7   60    0 o   18.962   1.6246  353.964   59.798  353.964   59.798   0.0000   0.0000   18.962   1.6246  ?   ?       ?      ? 
1 1 1    7   60    1 o   22.922   1.3160  499.932   50.417  481.704   57.620  559.476  104.140   22.168   1.3390   23.676   2.2659 -1.507591 2.631960 
1 1 1    7   60    2 o   25.808   1.1828  650.990   52.060  644.676   60.480  669.050  102.284   25.665   1.2140   25.952   2.0303 -0.2872562 2.365591 
1 1 1    7   60    3 o   22.195   1.4590  498.619   52.185  505.770   59.452  474.618  108.920   22.705   1.3489   21.686   2.5874 1.019289 2.917944 
1 1 1    7   60    4 o   24.379   1.3587  591.050   53.587  591.996   60.929  587.820  112.599   24.573   1.2773   24.184   2.3985 0.3894825 2.717421 
1 1 1    7   60    5 o   8.4889   2.3291   55.375   52.904   74.961   60.750  -6.1004  107.628   8.7889   2.9836   8.1889   3.5772 0.6000481 4.658186 
1 1 1    7   60    6 o   24.333   1.4154  595.862   55.220  601.355   62.698  576.866  116.593   24.759   1.3045   23.907   2.5123 0.8511543 2.830820 
1 1 1    7   60    7 o   27.775   1.3691  766.336   68.617  764.045   83.008  771.279  121.935   27.836   1.5362   27.713   2.2666 0.1230183 2.738126 
1 1 1    7   60    8 o   9.3956   2.5850   70.132   64.930   76.896   78.259   55.190  116.309   9.1901   3.3622   9.6011   3.9274 -0.4109812 5.170002 
1 1 1    7   60    9 o   14.123   2.5356  211.197   66.063  192.202   79.887  252.282  117.491   13.316   3.1414   14.930   3.9811 -1.613868 5.071233 
1 1 1    7   60   10 o   14.409   2.3460  242.150   65.445  294.799   82.537  152.997  107.406   16.975   2.5048   11.844   3.9675 5.130990 4.692013 
1 1 1    7   60   11 o   12.320   2.6559  164.727   67.159  147.335   83.760  196.036  112.382   11.550   3.4622   13.090   4.0285 -1.540669 5.311821 
1 1 1    7   60   12 o   10.198   2.6121   65.241   69.565  -6.9082   85.752  204.124  118.973   7.1796   3.1631   13.217   4.1578 -6.037090 5.224196 
1 1 1    7   60   13 o   11.447   2.7130  130.958   69.700   84.803   86.053  218.994  118.847   9.3725   3.5078   13.522   4.1397 -4.149047 5.426004 
1 1 1    7   60   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   61    0 o   35.633   0.9567  1239.38   66.177  1239.38   66.177   0.0000   0.0000   35.633   0.9567  ?   ?       ?      ? 
1 1 1    7   61    1 o   28.569   1.3083  827.372   55.459  838.162   61.441  779.909  128.862   29.280   1.0810   27.858   2.3830 1.422218 2.616676 
1 1 1    7   61    2 o   9.3785   2.2869   89.800   50.680  114.916   56.599 -11.7918  113.831   10.448   2.7523   8.3087   3.6529 2.139496 4.573714 
1 1 1    7   61    3 o   19.500   1.8682  420.372   54.070  444.759   61.459  336.847  113.739   21.259   1.4893   17.741   3.4267 3.517962 3.736339 
1 1 1    7   61    4 o   7.8813   2.2656   36.467   49.758   47.033   57.007   2.6694  101.960   7.6251   2.8548   8.1375   3.5187 -0.5123506 4.531171 
1 1 1    7   61    5 f   10.281   2.2954  116.659   51.917  141.484   59.852   41.218  104.337   11.570   2.7121   8.9928   3.7040 2.577157 4.590742 
1 1 1    7   61    6 o   14.507   2.1088  249.624   51.449  282.092   60.133  160.937   99.385   16.842   1.8393   12.172   3.7954 4.669888 4.217626 
1 1 1    7   61    7 o   11.554   2.6899  130.694   67.958   96.451   84.132  194.985  115.279   9.9053   3.5033   13.203   4.0829 -3.297295 5.379872 
1 1 1    7   61    8 o   9.0094   2.5989   30.227   67.680  -4.6278   81.039  110.590  123.052   7.1027   3.1034   10.916   4.1698 -3.813426 5.197895 
1 1 1    7   61    9 o   21.592   1.8008  489.803   68.479  508.192   82.419  448.809  123.059   22.529   1.8846   20.656   3.0691 1.873251 3.601519 
1 1 1    7   61   10 o   13.693   2.6245  208.903   68.762  201.014   84.254  224.639  118.993   13.485   3.2556   13.901   4.1175 -0.4153900 5.249092 
1 1 1    7   61   11 o   14.907   2.3742  272.113   67.378  331.433   83.026  157.692  115.310   17.957   2.3818   11.857   4.1078 6.100497 4.748363 
1 1 1    7   61   12 o   9.5475   2.6324   48.717   72.158 -17.0391   90.090  166.389  120.516   7.1027   3.1786   11.992   4.1970 -4.889702 5.264789 
1 1 1    7   62    0 o   5.6406   2.5437 -25.9050   58.934 -25.9050   58.934   0.0000   0.0000   5.6406   2.5437  ?   ?       ?      ? 
1 1 1    7   62    1 o   31.762   0.9850  996.761   54.780  1003.25   64.909  980.706  102.124   32.033   1.0439   31.492   1.6706 0.5410423 1.969902 
1 1 1    7   62    2 f   12.906   2.4003  171.547   53.806  164.867   61.146  194.471  113.269   12.534   2.5983   13.277   4.0366 -0.7421455 4.800577 
1 1 1    7   62    3 f   22.401   1.5582  497.606   55.482  492.801   62.520  515.416  120.370   22.367   1.4400   22.436   2.7639 -0.6888390E-01 3.116482 
1 1 1    7   62    4 o   9.1544   2.4890   61.008   51.130   54.024   56.623   91.857  119.000   7.8378   2.8610   10.471   4.0737 -2.633089 4.978012 
1 1 1    7   62    5 o   8.8345   2.4028  -6.5764   53.197 -51.9977   59.583  171.914  118.113   5.1500   2.4064   12.519   4.1598 -7.368962 4.805655 
1 1 1    7   62    6 o   15.886   2.1312  240.064   56.041  213.673   63.837  328.751  117.022   14.531   2.2631   17.241   3.6121 -2.710210 4.262496 
1 1 1    7   62    7 o   6.8923   2.1885 -12.9792   49.709 -14.0659   55.703  -8.7289  110.163   5.6893   2.5257   8.0954   3.5749 -2.406075 4.377073 
1 1 1    7   62    8 o   6.7715   2.2059 -49.3531   65.447 -31.5448   81.795 -81.0431  109.113   6.5858   2.9808   6.9572   3.2526 -0.3713608 4.411890 
1 1 1    7   62    9 o   8.4285   2.5410   19.361   69.139   1.0095   84.294   57.089  120.862   7.2930   3.1764   9.5639   3.9671 -2.270915 5.082025 
1 1 1    7   62   10 o   9.3610   2.4950   74.962   69.237  133.499   83.274 -56.1234  124.615   10.964   3.4819   7.7582   3.5745 3.205533 4.990034 
1 1 1    7   62   11 o   9.6047   2.6149   87.395   67.194   95.982   82.434   70.394  115.996   9.6304   3.4611   9.5790   3.9207 0.5136299E-01 5.229880 
1 1 1    7   63    0 o   21.471   1.4252  454.492   59.401  454.492   59.401   0.0000   0.0000   21.471   1.4252  ?   ?       ?      ? 
1 1 1    7   63    1 o   15.746   1.9396  247.743   59.286  247.743   59.286   0.0000   0.0000   15.746   1.9396  ?   ?       ?      ? 
1 1 1    7   63    2 o   24.826   1.3099  573.016   55.810  529.773   64.198  706.809  112.923   23.174   1.4271   26.478   2.1970 -3.303671 2.619803 
1 1 1    7   63    3 f   21.635   1.6203  512.840   55.095  547.706   63.267  403.421  112.078   23.570   1.3828   19.701   2.9307 3.868801 3.240524 
1 1 1    7   63    4 o   18.038   1.7983  308.408   52.862  288.865   59.501  381.619  115.163   17.018   1.8011   19.058   3.1130 -2.039583 3.596530 
1 1 1    7   63    5 o   10.682   2.5897   95.987   54.954   74.160   61.609  180.953  121.553   8.6772   3.0028   12.688   4.2201 -4.010552 5.179418 
1 1 1    7   63    6 f   14.382   2.2576  284.233   57.243  335.660   64.457   92.291  124.526   18.321   1.8124   10.442   4.1356 7.878858 4.515280 
1 1 1    7   63    7 f   9.4590   2.5243   30.730   56.174  -9.8283   63.031  187.305  123.844   6.1432   2.7089   12.775   4.2602 -6.631622 5.048505 
1 1 1    7   63    8 o   16.760   2.2519  319.912   67.818  358.224   85.502  254.924  111.360   18.680   2.3579   14.840   3.8373 3.840060 4.503808 
1 1 1    7   63    9 o   12.196   2.6589  162.502   66.934  135.515   83.033  212.578  113.108   11.001   3.4751   13.392   4.0253 -2.391006 5.317813 
1 1 1    7   63   10 o   15.898   2.5326  281.115   73.130  256.922   89.716  329.019  126.242   15.171   3.1496   16.626   3.9669 -1.455455 5.065218 
1 1 1    7   64    0 o   16.632   1.8875  276.816   60.937  276.816   60.937   0.0000   0.0000   16.632   1.8875  ?   ?       ?      ? 
1 1 1    7   64    1 o   8.9372   2.9610   81.501   59.863   81.501   59.863   0.0000   0.0000   8.9372   2.9610  ?   ?       ?      ? 
1 1 1    7   64    2 o   16.851   2.1770  296.848   55.104  292.647   61.377  314.303  125.119   17.104   1.8486   16.597   3.9421 0.5072765 4.353968 
1 1 1    7   64    3 o   14.262   2.3916  179.923   54.520  147.158   60.436  323.125  126.349   11.713   2.7116   16.812   3.9403 -5.098708 4.783207 
1 1 1    7   64    4 o   16.426   2.1693  273.216   56.004  260.736   62.992  320.286  122.335   16.084   2.0176   16.767   3.8410 -0.6837215 4.338657 
1 1 1    7   64    5 o   9.9753   2.4226  107.612   56.095  128.299   64.187   40.732  115.410   10.849   2.9639   9.1020   3.8330 1.746528 4.845259 
1 1 1    7   64    6 o   8.5419   2.4181   55.704   55.822   66.013   63.639   21.309  116.248   8.3614   3.0360   8.7225   3.7645 -0.3611135 4.836155 
1 1 1    7   64    7 o   14.403   2.4273  232.912   58.778  235.118   66.277  224.784  127.204   15.143   2.2547   13.664   4.2993 1.479211 4.854688 
1 1 1    7   64    8 o   7.7201   2.4193  -3.3246   71.267   29.275   85.996 -74.8091  127.344   7.8881   3.3145   7.5521   3.5251 0.3359942 4.838654 
1 1 1    7   65    0 o   12.725   2.6008  172.566   62.073  172.566   62.073   0.0000   0.0000   12.725   2.6008  ?   ?       ?      ? 
1 1 1    7   65    1 o   16.401   1.9488  270.828   62.043  270.828   62.043   0.0000   0.0000   16.401   1.9488  ?   ?       ?      ? 
1 1 1    7   65    2 o   8.8321   2.3953   63.207   51.953   56.534   60.282   82.476  102.434   7.9513   2.9438   9.7129   3.7793 -1.761571 4.790541 
1 1 1    7   65    3 o   6.5709   2.1371 -24.4953   53.252  -5.6619   59.183 -104.5838  122.045   6.0386   2.6449   7.1031   3.3577 -1.064453 4.274278 
1 1 1    7   65    4 o   11.318   2.3640  159.651   57.196  190.465   63.918   35.836  128.126   13.363   2.5573   9.2743   3.9767 4.088371 4.727973 
1 1 1    7   65    5 o   16.647   2.3013  338.092   58.608  363.254   66.203  246.923  126.017   19.003   1.7947   14.290   4.2383 4.712473 4.602627 
1 1 1    7   65    6 o   13.705   2.2905  235.363   56.151  263.811   64.267  143.578  115.436   16.084   2.0583   11.326   4.0925 4.758845 4.580960 
1 1 1    7   65    7 o   13.046   2.4754  196.691   58.609  199.744   67.244  187.044  119.549   13.591   2.6439   12.501   4.1858 1.090206 4.950847 
1 1 1    7   66    0 o   13.421   2.6072  193.158   65.477  193.158   65.477   0.0000   0.0000   13.421   2.6072  ?   ?       ?      ? 
1 1 1    7   66    1 o   10.937   2.9544  131.959   64.201  131.959   64.201   0.0000   0.0000   10.937   2.9544  ?   ?       ?      ? 
1 1 1    7   66    2 o   7.0149   2.8805   26.300   62.861   26.300   62.861   0.0000   0.0000   7.0149   2.8805  ?   ?       ?      ? 
1 1 1    7   66    3 o   20.625   1.7110  400.522   56.976  369.885   63.767  521.819  126.882   19.189   1.7119   22.061   2.9629 -2.871441 3.421900 
1 1 1    7   66    4 o   11.816   2.5466  144.047   57.298  123.154   66.163  206.719  114.592   10.521   3.0575   13.111   4.0734 -2.590630 5.093191 
1 1 1    7   67    0 o   8.9959   3.0818   84.746   64.818   84.746   64.818   0.0000   0.0000   8.9959   3.0818  ?   ?       ?      ? 
1 1 1    8    0    0 o  247.174   2.2445 59299.04  1036.60 59634.58  1717.67 59106.84  1300.02  247.683   3.5742  246.665   2.7158 -0.000000 0.000000 
1 1 1    8    0    1 o   54.036   0.6806  2836.93   71.342  2840.83  100.905  2833.03  100.881   54.074   0.9620   53.999   0.9631 -0.000000 0.000000 
1 1 1    8    0    2 o   45.108   0.6074  1974.36   53.084  2032.60   77.298  1922.38   73.027   45.736   0.8714   44.479   0.8465 -0.000000 0.000000 
1 1 1    8    0    3 o  174.121   1.4655 29441.45  488.026 29423.13  638.160 29467.26  757.403  174.065   1.8892  174.177   2.2410 -0.000000 0.000000 
1 1 1    8    0    4 o  129.341   1.2584 16274.50  313.745 16487.10  421.869 16011.38  469.318  130.293   1.6686  128.388   1.8840 -0.000000 0.000000 
1 1 1    8    0    5 o   42.801   0.6433  1775.24   53.298  1865.08   78.341  1697.82   72.722   43.806   0.9222   41.795   0.8973 -0.000000 0.000000 
1 1 1    8    0    6 o  117.571   1.1807 13402.38  267.497 13231.70  356.930 13621.09  404.030  116.723   1.5759  118.420   1.7585 -0.000000 0.000000 
1 1 1    8    0    7 o  133.992   1.2393 17436.35  322.221 17411.47  453.818 17461.64  457.584  133.896   1.7467  134.088   1.7587 -0.000000 0.000000 
1 1 1    8    0    8 o   12.099   1.9419  161.807   39.719  150.347   54.628  174.659   57.852   11.549   2.8123   12.649   2.6787 -0.000000 0.000000 
1 1 1    8    0    9 o  156.521   1.3192 23791.06  400.676 23959.12  568.056 23624.67  565.238  157.071   1.8637  155.970   1.8675 -0.000000 0.000000 
1 1 1    8    0   10 o  318.741   1.7659 98647.77  1092.44 98023.58  1537.28 99284.56  1552.72  317.722   2.4929  319.759   2.5019 -0.000000 0.000000 
1 1 1    8    0   11 o  399.865   1.9828 155361.09  1535.70 153779.91  2239.25 156765.20  2110.12  397.936   2.8992  401.795   2.7057 -0.000000 0.000000 
1 1 1    8    0   12 o  110.844   1.2716 11938.74  273.397 12058.03  384.085 11816.22  389.250  111.407   1.7770  110.281   1.8194 -0.000000 0.000000 
1 1 1    8    0   13 o  235.904   2.0243 54073.56  926.681 53707.62  1311.05 54438.90  1310.00  235.106   2.8737  236.703   2.8520 -0.000000 0.000000 
1 1 1    8    0   14 o  152.055   1.3852 22409.19  408.119 21523.82  559.062 23419.32  597.155  148.847   1.9356  155.263   1.9820 -0.000000 0.000000 
1 1 1    8    0   15 o  143.484   1.5263 20005.20  424.892 20274.50  603.571 19740.63  598.242  144.442   2.1537  142.526   2.1634 -0.000000 0.000000 
1 1 1    8    0   16 o  112.538   1.3205 12376.06  286.079 11681.03  424.644 12953.65  387.108  109.616   1.9972  115.460   1.7280 -0.000000 0.000000 
1 1 1    8    0   17 o   44.428   0.9672  1926.63   82.997  1999.94  114.555  1845.63  120.414   45.329   1.3043   43.527   1.4286 -0.000000 0.000000 
1 1 1    8    0   18 o  187.846   1.8570 34328.12  676.679 34450.07  947.650 34201.25  966.567  188.192   2.5952  187.501   2.6568 -0.000000 0.000000 
1 1 1    8    0   19 o   35.573   1.1693  1238.58   80.159  1261.91  110.351  1212.52  116.633   35.940   1.5888   35.205   1.7160 -0.000000 0.000000 
1 1 1    8    0   20 o  117.445   1.4929 13419.48  340.109 13430.88  480.355 13408.02  481.620  117.496   2.1076  117.395   2.1150 -0.000000 0.000000 
1 1 1    8    0   21 o   52.851   1.0583  2726.13  108.104  2846.46  149.956  2595.93  155.988   54.078   1.4308   51.623   1.5598 -0.000000 0.000000 
1 1 1    8    0   22 o   71.627   1.1049  4992.99  153.432  5050.88  215.625  4933.61  218.373   72.051   1.5433   71.204   1.5817 -0.000000 0.000000 
1 1 1    8    0   23 o   63.805   1.1061  3958.44  136.713  4159.70  197.156  3772.04  189.739   65.369   1.5557   62.241   1.5727 -0.000000 0.000000 
1 1 1    8    0   24 f   28.575   1.7342  812.461   94.403  809.546  129.751  815.740  137.607   28.541   2.3801   28.610   2.5229 -0.000000 0.000000 
1 1 1    8    0   25 o   17.745   3.0263  360.044   90.216  411.298  127.326  308.371  127.844   19.507   3.7674   15.983   4.7372 -0.000000 0.000000 
1 1 1    8    0   26 o   48.707   1.1797  2314.18  111.159  2216.54  153.707  2421.23  160.947   47.628   1.6671   49.786   1.6696 -0.000000 0.000000 
1 1 1    8    0   27 o   6.5443   2.9724   7.4113   86.183   14.334  120.070   0.0550  123.777   6.6208   4.2215   6.4677   4.1857 -0.000000 0.000000 
1 1 1    8    0   28 o   66.394   1.1315  4308.55  145.642  4330.97  205.958  4286.13  205.980   66.568   1.5959   66.220   1.6045 -0.000000 0.000000 
1 1 1    8    0   29 o   32.543   1.5414  1064.47   95.198  1227.39  133.799  897.442  135.478   35.196   1.9725   29.889   2.3692 -0.000000 0.000000 
1 1 1    8    0   30 o   7.9013   3.1887   66.040   86.887  151.212  118.213 -34.0365  128.139   9.8545   4.9797   5.9480   3.9841 -0.000000 0.000000 
1 1 1    8    0   31 o   26.510   1.9883  727.323   97.127  579.302  133.545  893.547  141.518   23.394   3.0910   29.627   2.5017 -0.000000 0.000000 
1 1 1    8    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    1    0 o  104.793   0.8015 10657.54  163.029 10857.93  232.923 10465.08  228.264  105.759   1.1346  103.828   1.1326 1.930809 1.603097 
1 1 1    8    1    1 o   29.519   0.3594  845.784   20.589  815.016   28.984  877.124   29.252   28.977   0.5153   30.061   0.5013 -1.083866 0.7188895 
1 1 1    8    1    2 o   76.580   0.6266  5691.77   93.140  5763.67  132.598  5621.75  130.858   77.057   0.8865   76.102   0.8858 0.9545746 1.253180 
1 1 1    8    1    3 o  117.785   0.8575 13471.68  195.790 13556.91  270.436 13377.81  283.825  118.177   1.1789  117.393   1.2455 0.7841339 1.714939 
1 1 1    8    1    4 o  113.034   0.8138 12401.61  178.559 12559.94  253.542 12245.79  251.513  113.750   1.1482  112.319   1.1536 1.431625 1.627628 
1 1 1    8    1    5 o  420.249   1.6183 171479.00  1320.18 171285.80  1863.92 171673.41  1870.12  420.012   2.2861  420.487   2.2911 -0.4745789 3.236621 
1 1 1    8    1    6 o  192.714   1.0551 36036.91  393.170 36216.91  582.825 35886.58  532.614  193.155   1.5544  192.274   1.4270 0.8805695 2.110113 
1 1 1    8    1    7 o   95.382   0.7002  8830.63  129.635  8858.54  183.458  8802.80  183.204   95.532   0.9893   95.231   0.9910 0.3010254 1.400303 
1 1 1    8    1    8 f  131.226   0.8466 16710.31  215.631 17035.18  308.260 16399.04  301.740  132.474   1.1987  129.977   1.1959 2.496964 1.693267 
1 1 1    8    1    9 o  233.136   1.1087 52761.21  501.717 52316.22  706.412 53214.15  712.701  232.144   1.5676  234.128   1.5682 -1.983734 2.217311 
1 1 1    8    1   10 f  142.453   0.9093 19691.28  251.410 19258.35  351.568 20144.38  359.664  140.851   1.2858  144.055   1.2862 -3.203690 1.818695 
1 1 1    8    1   11 o  175.320   1.2406 29879.19  420.822 29349.24  617.645 30338.35  574.913  173.865   1.8300  176.775   1.6754 -2.909927 2.481123 
1 1 1    8    1   12 o  110.631   0.8151 11881.21  175.041 11822.67  247.173 11940.11  247.921  110.358   1.1538  110.905   1.1516 -0.5468063 1.630158 
1 1 1    8    1   13 o   74.648   0.6832  5409.37   98.991  5404.83  141.220  5413.75  138.799   74.618   0.9750   74.679   0.9575 -0.6170654E-01 1.366490 
1 1 1    8    1   14 o   98.067   0.7818  9329.96  148.770  9090.42  206.840  9586.68  214.133   96.764   1.1012   99.370   1.1101 -2.605911 1.563619 
1 1 1    8    1   15 o  152.891   1.1627 22766.05  331.143 22930.74  414.507 22475.53  550.544  153.671   1.3895  152.111   1.8645 1.560623 2.325357 
1 1 1    8    1   16 o  108.892   0.8415 11512.46  177.855 11401.07  249.675 11627.21  253.417  108.358   1.1870  109.427   1.1930 -1.069107 1.682931 
1 1 1    8    1   17 o  142.496   1.1748 19718.81  322.232 19820.91  488.994 19640.43  428.402  142.811   1.7639  142.180   1.5522 0.6308136 2.349618 
1 1 1    8    1   18 o   66.173   0.8467  4247.10  104.362  4231.92  130.260  4274.32  174.393   66.015   1.0165   66.332   1.3544 -0.3170471 1.693397 
1 1 1    8    1   19 o  129.814   1.0948 16378.89  275.878 16297.89  391.032 16459.15  389.273  129.494   1.5556  130.134   1.5410 -0.6407318 2.189641 
1 1 1    8    1   20 o   70.295   0.7538  4799.08  102.849  4738.69  144.699  4860.74  146.213   69.848   1.0672   70.742   1.0647 -0.8938828 1.507503 
1 1 1    8    1   21 o  148.082   1.3013 21335.32  374.060 21329.52  529.072 21341.11  528.930  148.062   1.8408  148.102   1.8398 -0.4042053E-01 2.602577 
1 1 1    8    1   22 o   27.212   1.1424  728.155   59.513  595.395   84.774  857.165   83.568   24.733   1.7657   29.690   1.4500 -4.956532 2.284768 
1 1 1    8    1   23 o   45.040   0.8519  1971.74   74.443  1976.98  107.171  1966.87  103.482   45.097   1.2242   44.983   1.1851 0.1132622 1.703881 
1 1 1    8    1   24 o   50.679   0.8224  2495.87   80.892  2545.92  115.865  2448.27  112.987   51.175   1.1664   50.184   1.1598 0.9905701 1.644877 
1 1 1    8    1   25 o   52.996   0.8190  2723.83   84.117  2866.05  123.419  2600.46  114.950   54.283   1.1713   51.709   1.1452 2.573887 1.638089 
1 1 1    8    1   26 o   65.704   0.8009  4203.42  102.115  4090.73  144.878  4314.67  143.950   64.826   1.1513   66.583   1.1137 -1.757011 1.601854 
1 1 1    8    1   27 o   40.980   0.9092  1634.01   72.211  1708.21  105.901  1569.53   98.719   41.844   1.3038   40.115   1.2677 1.728886 1.818495 
1 1 1    8    1   28 o   41.767   1.0836  1713.31   84.027  1722.34  104.736  1697.01  140.760   41.982   1.2852   41.553   1.7451 0.4288902 2.167252 
1 1 1    8    1   29 o   11.324   2.4558  131.789   61.566  183.582   87.479   80.962   86.660   13.066   3.4120   9.5816   3.5331 3.484375 4.911659 
1 1 1    8    1   30 o   20.660   1.5896  431.948   63.260  483.783   88.544  377.905   90.411   21.988   2.0745   19.333   2.4091 2.655407 3.179202 
1 1 1    8    1   31 o   35.944   1.0575  1279.59   73.724  1348.82  104.911  1212.04  103.625   36.919   1.4639   34.968   1.5266 1.951355 2.115046 
1 1 1    8    1   32 o   25.393   2.8154  684.495  138.782   0.0000   0.0000  684.495  138.782  ?   ?    25.393   2.8154      ?      ? 
1 1 1    8    2    0 o  204.116   1.2450 40455.69  493.303 40693.13  698.542 40219.47  696.734  204.714   1.7578  203.518   1.7636 1.195221 2.490036 
1 1 1    8    2    1 o   37.351   0.3907  1354.06   28.323  1356.27   40.346  1351.91   39.771   37.381   0.5560   37.321   0.5490 0.6011963E-01 0.7813585 
1 1 1    8    2    2 o  172.193   1.0668 28799.45  354.895 28924.36  479.765 28648.50  527.404  172.608   1.4319  171.778   1.5816 0.8296814 2.133506 
1 1 1    8    2    3 o  230.462   1.2479 51536.18  553.683 51330.91  736.565 51802.88  839.558  229.940   1.6502  230.985   1.8724 -1.045807 2.495802 
1 1 1    8    2    4 o  243.128   1.2003 57385.71  566.461 57245.64  799.696 57526.77  802.505  242.830   1.6965  243.425   1.6983 -0.5954742 2.400503 
1 1 1    8    2    5 o  141.486   0.9001 19416.33  246.663 19655.95  362.229 19209.15  336.822  142.299   1.3113  140.674   1.2335 1.625595 1.800282 
1 1 1    8    2    6 o  462.510   1.5642 207491.50  1387.45 208950.00  2138.05 206430.41  1823.56  463.902   2.3742  461.118   2.0372 2.783783 3.128487 
1 1 1    8    2    7 o  301.822   1.3384 88354.21  777.384 89071.82  1181.77 87806.82  1032.14  302.897   2.0099  300.747   1.7680 2.149414 2.676810 
1 1 1    8    2    8 o  310.017   1.2409 93285.05  745.460 93643.96  1088.09 92967.56  1023.37  310.576   1.8048  309.457   1.7036 1.119507 2.481843 
1 1 1    8    2    9 o  119.165   0.8754 13785.11  202.293 13800.94  279.849 13767.79  292.757  119.237   1.2091  119.093   1.2664 0.1439590 1.750850 
1 1 1    8    2   10 o  362.711   1.3568 127730.80  955.303 127375.60  1347.25 128089.90  1354.79  362.204   1.9161  363.218   1.9215 -1.013794 2.713625 
1 1 1    8    2   11 o  293.601   1.2169 83689.21  693.521 83675.31  981.502 83703.09  980.074  293.577   1.7223  293.625   1.7195 -0.4885864E-01 2.433703 
1 1 1    8    2   12 o  134.853   1.1361 17764.70  290.602 17130.56  458.633 18190.08  375.631  132.825   1.7788  136.881   1.4137 -4.056122 2.272118 
1 1 1    8    2   13 o  281.133   1.5608 76765.30  851.741 75732.15  1199.73 77815.23  1209.42  279.225   2.2134  283.040   2.2012 -3.815308 3.121630 
1 1 1    8    2   14 o   89.572   0.7685  7796.77  133.473  7978.76  185.664  7602.12  192.013   90.656   1.0550   88.489   1.1178 2.166985 1.537095 
1 1 1    8    2   15 o   52.527   0.8174  2709.86   77.778  2767.74   94.866  2591.19  135.844   53.395   0.9153   51.658   1.3547 1.737179 1.634891 
1 1 1    8    2   16 o  135.954   1.0786 17954.30  284.028 17970.99  389.135 17935.27  415.516  136.025   1.4737  135.883   1.5753 0.1418762 2.157158 
1 1 1    8    2   17 o   24.574   0.9931  586.102   47.346  600.651   68.376  572.702   65.624   24.866   1.4165   24.281   1.3923 0.5850773 1.986211 
1 1 1    8    2   18 o   97.925   0.8519  9312.60  161.801  9342.75  233.884  9284.94  224.072   98.076   1.2285   97.774   1.1806 0.3011475 1.703820 
1 1 1    8    2   19 o   57.556   0.7199  3214.36   80.397  3310.01  115.883  3125.60  111.632   58.380   1.0226   56.731   1.0137 1.649254 1.439854 
1 1 1    8    2   20 o  115.330   1.0400 12927.28  232.833 12867.39  328.580 12987.68  329.975  115.062   1.4711  115.598   1.4705 -0.5366821 2.080031 
1 1 1    8    2   21 o   98.596   0.9254  9443.14  177.060  9607.65  254.031  9287.70  246.921   99.430   1.3161   97.762   1.3011 1.668198 1.850720 
1 1 1    8    2   22 o  141.976   1.2561 19618.18  346.169 19764.26  492.438 19475.46  486.727  142.498   1.7802  141.454   1.7726 1.043198 2.512224 
1 1 1    8    2   23 o   56.218   0.7890  3072.52   86.063  3034.94  123.235  3108.29  120.243   55.881   1.1361   56.555   1.0953 -0.6739464 1.578071 
1 1 1    8    2   24 o   60.867   0.8007  3603.67   94.522  3537.03  135.823  3666.25  131.624   60.319   1.1600   61.416   1.1041 -1.096550 1.601413 
1 1 1    8    2   25 o   37.494   0.9582  1366.78   69.688  1440.36  100.355  1298.25   96.845   38.469   1.3439   36.520   1.3661 1.948692 1.916328 
1 1 1    8    2   26 o   39.809   0.9222  1544.07   71.251  1515.08  100.778  1573.05  100.750   39.434   1.3165   40.184   1.2916 -0.7501984 1.844323 
1 1 1    8    2   27 o   30.813   1.1050  933.038   65.725  835.154   94.065  1026.41   91.873   29.211   1.6589   32.414   1.4601 -3.202904 2.209918 
1 1 1    8    2   28 o   58.541   0.7976  3342.32   90.618  3421.60  129.918  3267.20  126.459   59.217   1.1302   57.866   1.1258 1.350376 1.595242 
1 1 1    8    2   29 o   12.053   2.5183  154.598   62.947  165.908   92.205  144.727   86.144   12.429   3.6086   11.677   3.5136 0.7518597 5.036596 
1 1 1    8    2   30 o   37.891   0.9845  1416.64   72.209  1346.29  104.364  1481.26  100.014   36.963   1.4545   38.820   1.3272 -1.857445 1.969046 
1 1 1    8    2   31 o   30.399   1.2325  924.771   72.464  849.446  103.572  997.000  101.421   29.140   1.8310   31.658   1.6504 -2.518093 2.464990 
1 1 1    8    2   32 o   16.763   4.2460  341.752  138.320   0.0000   0.0000  341.752  138.320  ?   ?    16.763   4.2460      ?      ? 
1 1 1    8    3    0 o  226.978   1.4009 50073.00  612.705 49684.96  922.281 50379.55  819.744  226.182   2.1006  227.774   1.8540 -1.591293 2.801742 
1 1 1    8    3    1 o   71.881   0.5906  5015.12   82.410  5059.62  117.029  4971.35  116.067   72.197   0.8350   71.565   0.8355 0.6325684 1.181250 
1 1 1    8    3    2 o   86.014   0.6706  7182.48  111.856  7202.86  154.783  7160.20  161.827   86.142   0.9256   85.886   0.9707 0.2558899 1.341265 
1 1 1    8    3    3 o  213.228   1.2108 44185.09  497.720 44523.36  667.326 43761.02  747.191  214.152   1.6053  212.304   1.8130 1.848526 2.421580 
1 1 1    8    3    4 o  320.480   1.5574 99697.18  954.045 99559.99  1244.66 99892.60  1485.52  320.224   2.0023  320.737   2.3860 -0.5125122 3.114816 
1 1 1    8    3    5 o  101.439   0.7472  9989.90  147.071  9920.20  210.743 10056.08  205.343  101.094   1.0739  101.784   1.0393 -0.6902313 1.494444 
1 1 1    8    3    6 o  271.014   1.2436 71304.58  653.817 71245.37  941.719 71359.67  908.452  270.905   1.7908  271.124   1.7261 -0.2191467 2.487229 
1 1 1    8    3    7 o   84.993   1.1911  7319.23  154.785  7524.11  173.475  6519.16  342.807   88.043   1.0150   81.943   2.1551 6.100258 2.382200 
1 1 1    8    3    8 o  220.830   1.1270 47354.49  481.466 47170.46  709.989 47511.18  655.110  220.430   1.6593  221.229   1.5255 -0.7982635 2.253940 
1 1 1    8    3    9 o  268.901   1.1626 70196.19  606.863 70072.58  857.817 70320.05  858.652  268.664   1.6448  269.138   1.6435 -0.4740295 2.325216 
1 1 1    8    3   10 o  278.446   1.1848 75266.47  640.351 75849.52  910.315 74695.34  900.943  279.513   1.6777  277.379   1.6732 2.134583 2.369502 
1 1 1    8    3   11 o  126.924   1.0519 15631.19  253.961 15678.80  401.679 15599.48  327.790  127.082   1.6283  126.766   1.3321 0.3166962 2.103740 
1 1 1    8    3   12 f  273.179   1.3392 72464.54  710.137 72549.27  1010.33 72381.80  998.351  273.336   1.9041  273.022   1.8837 0.3142700 2.678474 
1 1 1    8    3   13 o   78.909   0.7102  6045.17  108.778  5990.69  154.598  6098.58  153.083   78.557   1.0138   79.261   0.9949 -0.7044983 1.420466 
1 1 1    8    3   14 o  162.329   1.2916 25525.82  397.981 25268.19  510.579 25924.68  635.305  161.301   1.6307  163.358   2.0034 -2.056549 2.583181 
1 1 1    8    3   15 o  106.522   0.8556 11016.98  176.917 11022.30  250.137 11011.67  250.260  106.548   1.2094  106.496   1.2106 0.5144501E-01 1.711180 
1 1 1    8    3   16 o  140.960   1.0397 19270.89  283.749 18930.62  386.130 19670.35  418.370  139.612   1.4248  142.308   1.5145 -2.695587 2.079338 
1 1 1    8    3   17 f  152.514   1.1227 22622.01  327.717 22731.17  429.601 22470.06  506.840  152.968   1.4468  152.060   1.7171 0.9084778 2.245329 
1 1 1    8    3   18 o   96.485   0.8356  9037.73  156.438  9173.80  225.003  8910.41  217.653   97.187   1.1927   95.783   1.1706 1.404137 1.671161 
1 1 1    8    3   19 o   80.533   0.9381  6267.65  138.213  6401.36  240.785  6201.95  168.789   81.157   1.5284   79.909   1.0881 1.247482 1.876185 
1 1 1    8    3   20 o   82.005   0.8155  6532.16  129.796  6386.16  182.809  6680.58  184.317   81.081   1.1615   82.929   1.1450 -1.848946 1.630953 
1 1 1    8    3   21 o   51.496   0.7482  2567.52   74.644  2709.33  109.850  2445.88  101.741   52.812   1.0715   50.180   1.0445 2.632298 1.496369 
1 1 1    8    3   22 o   41.211   0.8556  1650.73   68.292  1647.59   99.918  1653.49   93.555   41.172   1.2502   41.249   1.1684 -0.7743835E-01 1.711169 
1 1 1    8    3   23 f   86.189   0.8700  7222.27  145.543  7153.70  206.549  7289.90  205.117   85.781   1.2404   86.596   1.2202 -0.8150177 1.739983 
1 1 1    8    3   24 o   36.973   0.9639  1329.43   69.109  1336.24  100.108  1323.22   95.523   37.061   1.3915   36.884   1.3342 0.1776619 1.927754 
1 1 1    8    3   25 o   38.100   0.9194  1413.81   67.648  1400.91  100.652  1424.45   91.360   37.936   1.3668   38.264   1.2300 -0.3281250 1.838772 
1 1 1    8    3   26 o   37.052   0.9402  1344.32   67.288  1240.72   97.529  1438.43   92.954   35.675   1.4083   38.430   1.2460 -2.755730 1.880437 
1 1 1    8    3   27 o   65.788   0.7969  4219.52  101.678  4153.08  146.277  4281.62  141.434   65.281   1.1543   66.296   1.0990 -1.015137 1.593829 
1 1 1    8    3   28 o   53.042   0.8198  2753.31   84.143  2635.60  122.322  2859.03  115.928   51.949   1.2130   54.135   1.1032 -2.186024 1.639615 
1 1 1    8    3   29 o   23.449   1.4188  551.376   63.860  506.327   95.155  588.295   86.141   22.520   2.1767   24.377   1.8204 -1.856621 2.837556 
1 1 1    8    3   30 o   34.762   1.0452  1189.84   69.865  1203.30  106.579  1179.69   92.514   34.898   1.5733   34.626   1.3764 0.2722130 2.090363 
1 1 1    8    3   31 o   38.821   1.0314  1488.95   77.655  1576.84  112.230  1408.22  107.561   39.924   1.4481   37.718   1.4690 2.205360 2.062820 
1 1 1    8    3   32 o   10.014   4.1531   75.765  132.423   0.0000   0.0000   75.765  132.423  ?   ?    10.014   4.1531      ?      ? 
1 1 1    8    4    0 o  110.813   0.8227 11920.55  176.973 11878.27  249.876 11963.11  250.682  110.616   1.1637  111.010   1.1633 -0.3943329 1.645440 
1 1 1    8    4    1 o   91.969   0.7144  8205.87  127.397  8116.21  175.534  8305.67  185.186   91.439   0.9889   92.500   1.0313 -1.060585 1.428861 
1 1 1    8    4    2 o  163.191   1.0476 25866.45  330.545 25994.51  448.497 25714.18  489.055  163.635   1.4119  162.747   1.5480 0.8883057 2.095233 
1 1 1    8    4    3 o   69.968   0.5823  4753.01   79.056  4808.43  110.748  4695.44  112.885   70.384   0.8106   69.551   0.8361 0.8320618 1.164534 
1 1 1    8    4    4 o   95.278   0.7287  8811.96  134.757  8844.72  189.611  8778.54  191.553   95.457   1.0233   95.099   1.0376 0.3579102 1.457325 
1 1 1    8    4    5 o  309.832   1.3316 93253.90  795.389 92681.82  1194.98 93708.95  1065.77  308.973   1.9924  310.690   1.7671 -1.716278 2.663166 
1 1 1    8    4    6 o  214.088   1.1017 44527.56  456.211 44066.81  672.627 44920.10  620.839  213.060   1.6263  215.116   1.4868 -2.055847 2.203496 
1 1 1    8    4    7 o  340.265   1.3348 112451.80  880.120 111524.30  1279.93 113283.80  1212.19  338.931   1.9454  341.599   1.8281 -2.668365 2.669522 
1 1 1    8    4    8 o  427.422   1.5212 177200.09  1254.55 178999.80  1884.56 175767.80  1681.21  429.362   2.2611  425.484   2.0355 3.877960 3.042355 
1 1 1    8    4    9 f  107.678   0.7659 11254.59  160.092 11317.39  226.566 11191.97  226.242  107.978   1.0809  107.378   1.0854 0.6000366 1.531832 
1 1 1    8    4   10 o   48.495   0.6582  2288.42   59.870  2260.56   97.970  2305.02   75.637   48.258   1.0458   48.731   0.7996 -0.4732933 1.316465 
1 1 1    8    4   11 o  423.826   1.4100 174376.20  1158.87 173664.91  1601.38 175158.20  1679.16  422.922   1.9506  424.730   2.0366 -1.807587 2.820067 
1 1 1    8    4   12 o   95.424   0.7816  8839.63  144.714  8826.05  207.556  8852.49  201.874   95.352   1.1214   95.495   1.0890 -0.1431580 1.563129 
1 1 1    8    4   13 o  246.038   1.4478 58800.24  691.420 58106.12  980.065 59488.01  975.583  244.591   2.0642  247.485   2.0307 -2.894150 2.895631 
1 1 1    8    4   14 o  192.058   1.0924 35813.03  407.227 35253.50  570.700 36393.44  581.255  190.530   1.5430  193.586   1.5468 -3.055649 2.184838 
1 1 1    8    4   15 o  197.697   1.3187 37963.61  501.194 37948.43  664.255 37983.68  763.693  197.663   1.7312  197.732   1.9897 -0.6918335E-01 2.637373 
1 1 1    8    4   16 o  124.125   0.9085 14966.95  218.771 15123.08  305.040 14801.60  313.928  124.793   1.2592  123.457   1.3099 1.336174 1.817022 
1 1 1    8    4   17 o   44.774   0.7039  1945.89   61.092  1958.59   88.970  1934.56   84.035   44.912   1.0205   44.636   0.9699 0.2754097 1.407870 
1 1 1    8    4   18 o   42.362   0.7221  1733.18   59.048  1828.70   89.178  1658.61   78.797   43.395   1.0587   41.329   0.9822 2.065765 1.444103 
1 1 1    8    4   19 o   32.684   0.8865  1046.93   55.751  933.037   81.291  1148.06   76.605   30.988   1.3514   34.379   1.1479 -3.390961 1.773094 
1 1 1    8    4   20 o   81.681   0.9986  6497.40  148.527  6444.30  259.235  6523.35  181.219   81.414   1.6403   81.948   1.1392 -0.5341034 1.997112 
1 1 1    8    4   21 o  109.226   0.9991 11594.66  211.803 11691.81  302.434 11501.14  296.717  109.674   1.4206  108.778   1.4052 0.8962326 1.998145 
1 1 1    8    4   22 o  101.805   0.9595 10076.77  189.609  9981.94  268.446 10171.19  267.851  101.326   1.3648  102.284   1.3490 -0.9579773 1.918996 
1 1 1    8    4   23 o   59.557   0.7953  3449.08   91.855  3405.87  132.403  3489.17  127.539   59.195   1.1523   59.919   1.0965 -0.7235680 1.590608 
1 1 1    8    4   24 o   64.040   0.7920  3982.50   98.386  4085.19  142.545  3889.08  135.966   64.827   1.1327   63.254   1.1073 1.572987 1.584082 
1 1 1    8    4   25 o   28.918   1.1180  819.733   62.382  737.426   89.863  896.291   86.667   27.501   1.6833   30.336   1.4718 -2.834175 2.235972 
1 1 1    8    4   26 o   59.009   0.7978  3390.33   91.229  3372.68  132.759  3406.13  125.576   58.858   1.1620   59.160   1.0935 -0.3014717 1.595574 
1 1 1    8    4   27 o   49.700   0.8291  2393.67   79.625  2547.59  119.703  2271.52  106.640   51.118   1.2063   48.281   1.1378 2.837177 1.658274 
1 1 1    8    4   28 o   30.089   1.1277  890.369   65.190  872.693   99.017  903.892   86.608   29.800   1.7117   30.377   1.4687 -0.5775490 2.255474 
1 1 1    8    4   29 o   34.337   1.0408  1156.45   69.164  1195.89  102.535  1123.52   93.689   34.859   1.5153   33.814   1.4273 1.044975 2.081666 
1 1 1    8    4   30 o   58.237   0.8230  3324.44   92.858  3324.84  135.672  3324.08  127.364   58.222   1.2004   58.252   1.1263 -0.2967834E-01 1.646099 
1 1 1    8    4   31 o   11.855   2.4574  152.531   67.015   56.980   97.457  238.236   92.299   9.0153   3.6288   14.694   3.3148 -5.678720 4.914892 
1 1 1    8    4   32 o   11.436   2.7859  130.930   88.915 -23.5439  134.288  251.518  118.648   8.4214   3.8148   14.451   4.0610 -6.029768 5.571776 
1 1 1    8    5    0 f  120.267   0.9253 14029.86  215.185 13909.06  291.169 14175.25  319.425  119.698   1.2531  120.835   1.3618 -1.137665 1.850617 
1 1 1    8    5    1 o  225.156   1.2302 49186.74  532.875 48958.43  707.028 49486.99  810.782  224.557   1.6220  225.755   1.8501 -1.198151 2.460438 
1 1 1    8    5    2 o  249.165   1.3455 60294.73  650.066 60612.66  899.697 59947.44  940.312  249.855   1.8550  248.475   1.9495 1.379425 2.691020 
1 1 1    8    5    3 o   18.431   0.5061  327.302   18.025  304.988   24.138  355.431   27.101   17.726   0.7015   19.136   0.7296 -1.409792 1.012107 
1 1 1    8    5    4 o   82.908   0.7378  6671.11  114.910  6668.02  145.208  6676.30  187.954   82.883   0.9025   82.933   1.1675 -0.4972076E-01 1.475678 
1 1 1    8    5    5 o  270.165   1.1951 70849.76  623.415 70911.67  931.281 70799.49  839.179  270.269   1.7751  270.060   1.6008 0.2085876 2.390271 
1 1 1    8    5    6 f  232.227   1.1384 52342.77  510.817 52444.62  760.166 52258.91  689.764  232.431   1.6848  232.023   1.5315 0.4082794 2.276824 
1 1 1    8    5    7 o  292.033   1.2439 82790.81  701.191 82808.48  1048.72 82776.54  942.957  292.057   1.8498  292.008   1.6635 0.4968262E-01 2.487801 
1 1 1    8    5    8 o   63.313   0.5718  3890.24   70.273  3929.53  100.226  3852.25   98.557   63.627   0.8115   62.998   0.8059 0.6287193 1.143679 
1 1 1    8    5    9 o  202.728   1.1858 39911.69  456.764 39836.60  724.054 39961.32  588.681  202.565   1.8414  202.891   1.4947 -0.3262024 2.371654 
1 1 1    8    5   10 o  109.356   0.8167 11597.05  173.122 11407.51  237.673 11811.29  252.677  108.406   1.1294  110.307   1.1800 -1.901268 1.633443 
1 1 1    8    5   11 o  199.810   1.1678 38759.95  452.951 38790.17  640.826 38729.78  640.314  199.888   1.6515  199.732   1.6515 0.1556549 2.335603 
1 1 1    8    5   12 o  187.670   1.2257 34196.98  442.319 34192.63  586.703 34202.72  673.259  187.661   1.6106  187.679   1.8480 -0.1756287E-01 2.451329 
1 1 1    8    5   13 o  120.978   0.8701 14207.02  204.311 14327.83  291.507 14090.38  286.439  121.483   1.2361  120.473   1.2248 1.010551 1.740190 
1 1 1    8    5   14 o  153.420   1.1090 22858.86  330.260 22842.90  470.221 22874.40  463.957  153.367   1.5795  153.474   1.5573 -0.1069641 2.218089 
1 1 1    8    5   15 o  326.353   1.4795 103476.90  937.241 104033.60  1333.14 102932.80  1317.91  327.220   2.0988  325.486   2.0859 1.733612 2.959025 
1 1 1    8    5   16 o   74.138   0.7157  5334.21  102.975  5448.63  147.653  5225.86  143.686   74.912   1.0154   73.365   1.0089 1.547241 1.431409 
1 1 1    8    5   17 o  174.748   1.0718 29665.26  363.571 29377.92  511.544 29958.58  516.832  173.893   1.5154  175.603   1.5162 -1.710007 2.143678 
1 1 1    8    5   18 o   40.706   0.8710  1614.74   67.329  1635.45   86.943  1583.71  106.417   41.037   1.0914   40.376   1.3578 0.6607399 1.742040 
1 1 1    8    5   19 o   96.699   0.8816  9084.52  165.458  9055.39  235.761  9112.79  232.265   96.546   1.2580   96.853   1.2354 -0.3070908 1.763159 
1 1 1    8    5   20 o   68.122   0.7578  4508.82  100.179  4422.44  142.520  4593.19  140.844   67.476   1.0881   68.768   1.0551 -1.291855 1.515631 
1 1 1    8    5   21 o   93.209   1.0865  8400.63  183.945  8578.20  324.942  8316.89  223.141   93.902   1.7827   92.516   1.2425 1.385788 2.172941 
1 1 1    8    5   22 o  103.586   0.9709 10432.94  195.217 10357.81  276.698 10507.40  275.462  103.213   1.3810  103.958   1.3650 -0.7447357 1.941791 
1 1 1    8    5   23 o   76.906   0.8213  5750.20  122.588  5638.16  173.773  5861.20  172.960   76.159   1.1754   77.654   1.1474 -1.494514 1.642612 
1 1 1    8    5   24 o   42.128   0.8665  1731.66   70.249  1677.16  105.631  1774.88   94.065   41.526   1.3104   42.729   1.1341 -1.203766 1.732998 
1 1 1    8    5   25 f   39.743   0.8970  1527.48   68.816  1624.43  104.085  1452.19   91.724   40.853   1.3125   38.633   1.2231 2.219280 1.794051 
1 1 1    8    5   26 o   47.362   0.8438  2181.04   77.374  2227.64  114.149  2141.44  105.240   47.825   1.2296   46.900   1.1560 0.9249802 1.687625 
1 1 1    8    5   27 o   38.489   1.1197  1421.36   81.516  1333.55  102.871  1569.55  133.634   36.949   1.4343   40.029   1.7198 -3.080570 2.239367 
1 1 1    8    5   28 o   25.009   1.3054  613.475   63.084  642.215   94.646  590.501   84.621   25.521   1.9105   24.497   1.7795 1.023710 2.610826 
1 1 1    8    5   29 o   23.491   1.4164  543.070   63.727  680.258   95.048  431.035   85.894   26.195   1.8692   20.787   2.1287 5.408060 2.832871 
1 1 1    8    5   30 o   54.552   0.8531  2918.98   90.043  2925.74  132.920  2913.25  122.408   54.587   1.2544   54.517   1.1567 0.6963348E-01 1.706292 
1 1 1    8    5   31 o   25.276   1.4569  641.039   71.112  678.557  107.218  611.573   95.018   25.898   2.1327   24.654   1.9855 1.244612 2.913858 
1 1 1    8    5   32 o   19.427   2.5612  429.134   93.680  421.794  141.137  434.915  125.248   18.905   3.9722   19.949   3.2343 -1.044603 5.122386 
1 1 1    8    6    0 o  197.327   1.1410 37801.79  434.180 37778.52  581.576 37831.10  652.588  197.262   1.5188  197.392   1.7031 -0.1300354 2.281959 
1 1 1    8    6    1 o   28.569   0.4484  789.705   24.027  801.901   39.592  782.594   30.231   28.743   0.7096   28.395   0.5485 0.3477936 0.8968470 
1 1 1    8    6    2 o  247.102   1.2834 59307.95  610.324 59479.44  812.330 59085.66  924.828  247.517   1.6907  246.686   1.9313 0.8311768 2.566779 
1 1 1    8    6    3 o  207.208   1.1336 41682.77  455.937 41894.55  643.023 41468.65  646.577  207.737   1.5946  206.678   1.6116 1.059113 2.267153 
1 1 1    8    6    4 o  319.420   1.4168 99053.44  878.459 98647.59  1234.81 99469.33  1249.98  318.758   1.9956  320.082   2.0118 -1.324127 2.833663 
1 1 1    8    6    5 o  263.576   1.2486 67442.61  638.812 67436.80  899.502 67448.50  907.384  263.565   1.7581  263.587   1.7734 -0.2233887E-01 2.497173 
1 1 1    8    6    6 o  405.894   1.4791 160048.91  1162.35 158514.80  1702.25 161389.00  1591.00  404.066   2.1702  407.721   2.0102 -3.655518 2.958182 
1 1 1    8    6    7 o  131.229   0.9204 16716.45  234.445 17014.18  332.409 16421.76  330.708  132.392   1.2934  130.067   1.3098 2.325500 1.840824 
1 1 1    8    6    8 o  102.511   0.8743 10211.32  168.489 10158.14  274.669 10243.40  213.343  102.296   1.3832  102.727   1.0699 -0.4314728 1.748678 
1 1 1    8    6    9 o  110.773   1.0421 11901.81  223.634 12066.59  327.661 11758.12  305.983  111.490   1.5140  110.056   1.4322 1.433212 2.084108 
1 1 1    8    6   10 o  232.082   1.1766 52316.50  528.194 51990.25  779.053 52594.03  718.565  231.409   1.7343  232.754   1.5904 -1.345154 2.353101 
1 1 1    8    6   11 o   74.903   0.7928  5458.38  111.269  5493.57  140.335  5398.80  182.593   75.230   0.9610   74.576   1.2613 0.6541748 1.585679 
1 1 1    8    6   12 o  109.737   0.8564 11689.66  182.430 11765.80  259.195 11614.92  256.812  110.091   1.2129  109.383   1.2095 0.7080917 1.712865 
1 1 1    8    6   13 o  276.336   1.3524 74143.48  725.319 75128.76  1038.36 73204.63  1013.60  278.128   1.9233  274.545   1.9019 3.582672 2.704839 
1 1 1    8    6   14 o  214.178   1.2268 44554.75  510.049 44555.24  722.651 44554.27  719.993  214.179   1.7382  214.177   1.7318 0.1785278E-02 2.453608 
1 1 1    8    6   15 o  152.853   1.0741 22685.32  318.611 22869.71  456.477 22510.15  444.913  153.458   1.5324  152.248   1.5054 1.209610 2.148132 
1 1 1    8    6   16 o   90.288   0.7633  7913.21  133.738  8001.73  191.807  7829.46  186.569   90.779   1.0885   89.797   1.0703 0.9818802 1.526541 
1 1 1    8    6   17 f   41.848   0.9701  1697.80   77.463  1719.19  121.637  1683.20  100.472   42.067   1.4896   41.630   1.2433 0.4366913 1.940257 
1 1 1    8    6   18 f  191.892   1.2712 35807.88  471.621 35928.47  639.510 35664.10  698.307  192.260   1.7135  191.524   1.8783 0.7364197 2.542463 
1 1 1    8    6   19 o   40.242   0.8732  1583.94   66.964  1633.43   87.548  1514.17  103.956   41.009   1.0998   39.476   1.3566 1.532963 1.746395 
1 1 1    8    6   20 o   42.776   0.7780  1777.72   64.529  1768.51   93.362  1786.15   89.289   42.669   1.1272   42.882   1.0726 -0.2138596 1.555988 
1 1 1    8    6   21 o   25.877   1.1923  676.539   57.547  492.623   85.039  831.909   78.162   22.497   1.9473   29.256   1.3763 -6.758762 2.384545 
1 1 1    8    6   22 o   92.317   1.1029  8330.75  185.650  8171.86  322.225  8409.70  227.139   91.618   1.8118   93.015   1.2580 -1.396965 2.205712 
1 1 1    8    6   23 o   42.567   0.8427  1766.93   69.341  1691.13  101.543  1833.15   94.917   41.705   1.2543   43.429   1.1259 -1.723370 1.685497 
1 1 1    8    6   24 o   71.520   0.7965  4971.32  110.320  4987.99  161.859  4956.85  150.764   71.628   1.1641   71.412   1.0876 0.2164307 1.593100 
1 1 1    8    6   25 o   29.283   1.1544  836.914   65.126  828.341   98.044  843.683   87.124   29.140   1.7333   29.426   1.5253 -0.2852859 2.308812 
1 1 1    8    6   26 o   57.396   0.7977  3206.00   88.700  3219.43  129.764  3194.23  121.521   57.503   1.1625   57.288   1.0928 0.2150688 1.595481 
1 1 1    8    6   27 o   47.704   0.8447  2218.73   77.952  2218.10  115.075  2219.26  105.969   47.689   1.2431   47.719   1.1440 -0.3010178E-01 1.689352 
1 1 1    8    6   28 o   31.810   1.0904  988.658   66.957  1027.39  100.918  958.199   89.492   32.350   1.6071   31.270   1.4743 1.080242 2.180891 
1 1 1    8    6   29 o   26.216   1.2846  674.502   64.838  727.521   99.532  635.416   85.459   27.080   1.8934   25.351   1.7366 1.728491 2.569194 
1 1 1    8    6   30 f   55.961   0.8421  3071.39   91.170  3077.98  134.652  3065.81  123.887   55.992   1.2388   55.930   1.1411 0.6246567E-01 1.684287 
1 1 1    8    6   31 o   35.724   1.1103  1261.84   76.686  1327.13  114.688  1209.05  103.132   36.532   1.6173   34.917   1.5216 1.615032 2.220523 
1 1 1    8    6   32 o   18.125   2.7564  397.435   96.235  277.080  142.583  498.136  130.422   14.834   4.5330   21.415   3.1374 -6.580432 5.512869 
1 1 1    8    7    0 o   80.983   0.7733  6327.32  114.711  6250.43  140.190  6483.11  199.545   80.245   0.9000   81.721   1.2579 -1.476433 1.546687 
1 1 1    8    7    1 f  186.768   1.1211 33899.53  404.358 34216.81  546.196 33514.75  601.494  187.738   1.4988  185.797   1.6677 1.941071 2.242233 
1 1 1    8    7    2 o  166.678   1.0131 26969.72  327.781 27027.40  463.322 26911.91  463.785  166.857   1.4305  166.500   1.4350 0.3569794 2.026148 
1 1 1    8    7    3 o  169.773   1.0284 27978.55  338.921 28325.08  480.933 27636.66  477.695  170.817   1.4504  168.728   1.4585 2.088715 2.056892 
1 1 1    8    7    4 o  469.330   1.6731 213877.30  1524.24 214484.09  2155.87 213270.80  2155.33  469.995   2.3630  468.664   2.3691 1.331726 3.346122 
1 1 1    8    7    5 o  480.703   1.6949 224332.20  1581.18 223065.91  2210.08 225660.09  2263.10  479.315   2.3753  482.091   2.4183 -2.776001 3.389738 
1 1 1    8    7    6 o   44.073   0.4794  1886.53   40.986  1949.52   57.661  1822.21   58.269   44.817   0.6628   43.329   0.6928 1.488117 0.9587676 
1 1 1    8    7    7 o   90.921   0.8160  8029.02  139.058  8005.69  228.442  8042.75  175.271   90.814   1.2959   91.027   0.9919 -0.2122879 1.631914 
1 1 1    8    7    8 o  186.099   1.0517 33595.23  378.630 33917.63  560.161 33324.01  513.770  186.919   1.5438  185.279   1.4285 1.640457 2.103313 
1 1 1    8    7    9 o  220.082   1.1385 47070.93  484.948 46340.15  710.758 47707.46  663.336  218.480   1.6759  221.684   1.5415 -3.203720 2.277000 
1 1 1    8    7   10 o  368.295   1.6314 131726.09  1162.36 131632.30  1715.63 131805.80  1580.36  368.166   2.4006  368.424   2.2097 -0.2580566 3.262776 
1 1 1    8    7   11 o   86.633   0.7369  7288.38  123.871  7149.48  176.730  7422.51  173.670   85.821   1.0608   87.445   1.0231 -1.623718 1.473821 
1 1 1    8    7   12 o  187.962   1.1460 34301.60  418.077 34366.11  597.143 34239.57  585.529  188.135   1.6351  187.789   1.6062 0.3454895 2.292071 
1 1 1    8    7   13 o  141.876   0.9699 19532.17  266.784 19331.11  367.206 19756.93  388.251  141.104   1.3406  142.647   1.4021 -1.543442 1.939894 
1 1 1    8    7   14 o  120.814   0.9177 14172.34  215.213 14175.54  305.936 14169.22  302.803  120.827   1.3044  120.801   1.2913 0.2643585E-01 1.835439 
1 1 1    8    7   15 f  189.716   1.1757 34955.71  432.964 34727.69  609.253 35188.35  615.399  189.091   1.6598  190.341   1.6656 -1.249527 2.351403 
1 1 1    8    7   16 o   84.163   0.8067  6878.67  131.755  6859.23  188.498  6897.25  184.234   84.046   1.1554   84.280   1.1261 -0.2336349 1.613397 
1 1 1    8    7   17 o   77.549   0.7295  5834.57  109.714  5949.33  159.307  5731.02  151.319   78.273   1.0485   76.825   1.0147 1.448395 1.459057 
1 1 1    8    7   18 o   42.139   0.7327  1721.29   59.853  1780.62   87.448  1669.01   82.095   42.820   1.0520   41.457   1.0201 1.363049 1.465414 
1 1 1    8    7   19 o  123.090   1.0989 14720.61  262.492 14980.27  376.843 14475.90  365.841  124.143   1.5638  122.037   1.5443 2.105545 2.197794 
1 1 1    8    7   20 o   32.414   1.0624  1012.06   64.637  986.411   81.114  1056.68  106.987   31.862   1.3115   32.965   1.6719 -1.103775 2.124890 
1 1 1    8    7   21 o   47.965   0.9436  2258.04   80.558  2180.21  145.620  2292.36   96.703   47.350   1.5843   48.579   1.0255 -1.229149 1.887206 
1 1 1    8    7   22 o   58.651   0.7698  3340.14   87.389  3371.73  128.862  3313.25  118.911   58.905   1.1270   58.396   1.0490 0.5084457 1.539617 
1 1 1    8    7   23 o   54.168   0.9587  2943.59   93.656  2600.93  161.227  3118.10  115.060   51.691   1.6068   56.645   1.0464 -4.953579 1.917473 
1 1 1    8    7   24 o   67.168   0.7939  4387.15  103.421  4352.94  149.191  4418.80  143.494   66.914   1.1486   67.423   1.0964 -0.5093002 1.587852 
1 1 1    8    7   25 o   95.406   0.9247  8855.08  171.166  9027.58  246.947  8695.56  237.464   96.297   1.3211   94.515   1.2943 1.781715 1.849428 
1 1 1    8    7   26 o   41.352   0.8908  1665.68   71.278  1669.24  105.168  1662.64   96.939   41.387   1.3090   41.318   1.2086 0.6965637E-01 1.781690 
1 1 1    8    7   27 f   33.336   1.0336  1086.06   66.599  1084.27   98.793  1087.56   90.167   33.300   1.5283   33.371   1.3919 -0.7151413E-01 2.067175 
1 1 1    8    7   28 o   36.960   0.9849  1336.20   70.054  1348.33  106.487  1326.95   93.017   37.087   1.4791   36.833   1.3009 0.2539558 1.969838 
1 1 1    8    7   29 o   14.207   2.3263  208.393   62.460  274.229   98.718  164.443   80.657   16.031   3.2827   12.383   3.2970 3.648305 4.652559 
1 1 1    8    7   30 o   23.217   1.4946  545.950   66.419  504.918  100.258  578.043   88.668   22.358   2.3100   24.076   1.8972 -1.717884 2.989260 
1 1 1    8    7   31 o   20.960   1.7216  452.495   69.558  427.023  102.586  474.172   94.635   20.333   2.5991   21.586   2.2584 -1.253084 3.443192 
1 1 1    8    7   32 o   38.017   1.4751  1465.83  107.810  1557.60  166.151  1399.10  141.687   38.931   2.1986   37.103   1.9672 1.827766 2.950219 
1 1 1    8    8    0 o  184.411   1.1018 32991.46  391.987 32804.68  525.186 33226.39  588.992  183.824   1.4718  184.997   1.6401 -1.172836 2.203679 
1 1 1    8    8    1 o  194.036   1.1509 36558.85  430.806 36615.09  578.161 36488.65  645.964  194.207   1.5336  193.866   1.7165 0.3410492 2.301818 
1 1 1    8    8    2 o  350.056   1.4794 119019.40  1003.16 119619.00  1376.88 118340.90  1464.55  351.000   2.0208  349.111   2.1611 1.889038 2.958719 
1 1 1    8    8    3 o  236.122   1.1828 54125.34  542.154 54403.75  766.953 53847.27  766.490  236.729   1.6690  235.514   1.6766 1.214035 2.365678 
1 1 1    8    8    4 o  226.082   1.1695 49617.27  513.235 49481.57  721.622 49756.17  730.101  225.769   1.6466  226.394   1.6613 -0.6252289 2.339052 
1 1 1    8    8    5 o  450.590   1.6618 197124.20  1453.53 198101.20  2061.62 196158.41  2049.64  451.700   2.3512  449.480   2.3491 2.220276 3.323623 
1 1 1    8    8    6 o   40.731   0.5753  1608.61   43.963  1616.79   72.213  1603.80   55.416   40.813   0.9115   40.649   0.7023 0.1637764 1.150666 
1 1 1    8    8    7 o   26.756   0.6791  695.534   34.344  692.102   55.196  697.702   43.870   26.702   1.0649   26.811   0.8429 -0.1082420 1.358129 
1 1 1    8    8    8 o   29.462   0.5994  843.559   34.233  867.862   47.646  817.624   49.219   29.902   0.8208   29.023   0.8736 0.8784580 1.198745 
1 1 1    8    8    9 o  124.484   1.6124 15036.42  389.498 14603.19  542.443 15497.53  559.627  122.634   2.2787  126.334   2.2820 -3.699341 3.224864 
1 1 1    8    8   10 o  279.978   1.2560 76091.59  679.380 76243.92  1011.58 75966.43  916.956  280.229   1.8596  279.727   1.6887 0.5023804 2.511924 
1 1 1    8    8   11 o   76.047   0.6743  5612.33   99.477  5647.13  143.565  5580.20  137.967   76.273   0.9696   75.820   0.9374 0.4530716 1.348670 
1 1 1    8    8   12 o   72.632   0.6753  5122.40   95.178  5041.43  135.615  5200.99  133.611   72.066   0.9694   73.198   0.9403 -1.131828 1.350550 
1 1 1    8    8   13 o   96.279   0.7779  9000.56  145.363  9093.91  204.349  8904.94  206.821   96.785   1.0877   95.774   1.1125 1.011375 1.555829 
1 1 1    8    8   14 o  115.730   0.8680 13001.82  194.973 13207.42  277.941 12802.63  273.579  116.631   1.2276  114.829   1.2273 1.801186 1.735937 
1 1 1    8    8   15 o   99.836   0.9570  9727.38  180.708  9902.06  231.987  9457.83  288.176  100.987   1.1834   98.685   1.5043 2.302238 1.914009 
1 1 1    8    8   16 o   51.775   0.6644  2601.73   66.756  2639.90   95.745  2565.62   93.124   52.144   0.9459   51.405   0.9332 0.7386017 1.328779 
1 1 1    8    8   17 o   70.140   0.7037  4776.87   95.806  4713.37  135.218  4840.89  135.763   69.671   0.9998   70.608   0.9905 -0.9365005 1.407387 
1 1 1    8    8   18 o  104.056   0.8999 10517.46  181.742 10523.67  259.654 10511.49  254.468  104.086   1.2851  104.027   1.2602 0.5862427E-01 1.799856 
1 1 1    8    8   19 o   34.298   0.8341  1141.48   55.425  1161.72   81.275  1123.90   75.779   34.581   1.2107   34.015   1.1477 0.5660629 1.668232 
1 1 1    8    8   20 o   74.192   0.7779  5346.59  112.028  5363.07  159.268  5330.46  157.608   74.304   1.1042   74.079   1.0960 0.2257996 1.555808 
1 1 1    8    8   21 o  134.777   1.4577 17684.22  360.839 17676.89  443.565 17698.56  620.460  134.807   1.6950  134.748   2.3721 0.5822754E-01 2.915448 
1 1 1    8    8   22 o   73.234   0.7949  5211.95  112.928  5204.01  162.773  5219.31  156.803   73.179   1.1459   73.290   1.1022 -0.1109085 1.589894 
1 1 1    8    8   23 o   89.406   0.8880  7774.65  154.042  7675.34  220.320  7869.64  215.458   88.844   1.2775   89.968   1.2337 -1.123100 1.775955 
1 1 1    8    8   24 o   51.632   0.9880  2602.10   91.591  2572.15  163.973  2615.69  110.423   51.391   1.6437   51.873   1.0966 -0.4822540 1.975917 
1 1 1    8    8   25 o   52.549   0.8180  2688.04   83.380  2641.32  119.599  2732.23  116.304   52.102   1.1825   52.996   1.1305 -0.8946915 1.635998 
1 1 1    8    8   26 o   21.016   1.5381  429.216   62.419  491.040   93.572  379.648   83.785   22.368   2.1551   19.664   2.1950 2.704069 3.076109 
1 1 1    8    8   27 o   23.266   1.4017  527.598   62.977  575.831   95.157  490.006   84.007   24.197   2.0258   22.334   1.9377 1.863516 2.803342 
1 1 1    8    8   28 o   8.7030   2.3868   46.835   61.032 -17.1074   95.674   90.709   79.251   7.6029   3.3456   9.8031   3.4050 -2.200216 4.773561 
1 1 1    8    8   29 o   44.009   0.8748  1896.77   74.320  1907.11  111.223  1888.43   99.896   44.096   1.2994   43.922   1.1717 0.1737442 1.749619 
1 1 1    8    8   30 o   22.021   1.5054  492.742   62.564  460.617   98.892  514.180   80.785   21.318   2.3897   22.723   1.8315 -1.404867 3.010793 
1 1 1    8    8   31 o   62.326   0.8506  3822.35  102.530  3828.26  151.702  3817.38  139.112   62.333   1.2537   62.318   1.1500 0.1479721E-01 1.701255 
1 1 1    8    8   32 o   40.924   1.3945  1715.43  107.775  1641.71  171.109  1763.91  138.759   39.956   2.2061   41.891   1.7064 -1.935513 2.789011 
1 1 1    8    9    0 o   76.658   0.6125  5705.54   91.052  5737.97  126.131  5670.26  131.577   76.886   0.8451   76.431   0.8868 0.4552231 1.225025 
1 1 1    8    9    1 o  244.266   1.1935 57921.31  565.869 57612.44  794.887 58238.67  805.744  243.606   1.6809  244.926   1.6947 -1.319870 2.386972 
1 1 1    8    9    2 o  193.023   1.0816 36168.18  405.270 36078.53  570.811 36259.32  575.494  192.782   1.5253  193.264   1.5340 -0.4822083 2.163272 
1 1 1    8    9    3 o  330.342   1.4322 105918.30  918.146 104763.20  1280.96 107138.70  1316.69  328.491   2.0088  332.193   2.0419 -3.701843 2.864385 
1 1 1    8    9    4 o  101.985   0.7623 10094.38  150.906 10233.02  214.904  9959.52  211.954  102.676   1.0782  101.294   1.0779 1.381424 1.524637 
1 1 1    8    9    5 o  387.187   1.6054 145553.00  1206.59 146438.59  1706.83 144668.30  1705.92  388.365   2.2640  386.009   2.2766 2.355225 3.210764 
1 1 1    8    9    6 o  253.439   1.3348 62239.27  651.452 63278.54  989.212 61443.35  865.681  255.300   1.9961  251.578   1.7726 3.722076 2.669547 
1 1 1    8    9    7 o   52.474   0.5269  2672.78   53.666  2659.92   76.229  2685.42   75.566   52.349   0.7502   52.599   0.7401 -0.2503662 1.053778 
1 1 1    8    9    8 o   69.665   0.7256  4751.30   95.104  4883.04  121.373  4541.77  153.073   70.927   0.8815   68.402   1.1528 2.524895 1.451242 
1 1 1    8    9    9 o  365.704   1.4005 129813.40  991.694 130376.30  1456.40 129326.70  1354.11  366.439   2.0475  364.970   1.9113 1.469208 2.800931 
1 1 1    8    9   10 o   58.095   0.6092  3275.97   68.696  3279.98   97.963  3272.08   96.358   58.130   0.8681   58.060   0.8550 0.6996536E-01 1.218453 
1 1 1    8    9   11 f  124.386   0.9300 15026.92  224.263 14879.04  324.725 15161.76  310.091  123.800   1.3512  124.973   1.2782 -1.172058 1.860026 
1 1 1    8    9   12 o  151.143   1.0600 22197.81  310.326 21884.72  452.304 22476.27  426.560  150.133   1.5520  152.152   1.4442 -2.019104 2.120013 
1 1 1    8    9   13 o  131.705   0.9177 16827.39  234.332 17120.12  341.113 16565.79  322.465  132.788   1.3234  130.622   1.2717 2.165619 1.835377 
1 1 1    8    9   14 o   93.608   0.7774  8508.56  141.236  8420.45  201.040  8594.43  198.461   93.129   1.1121   94.087   1.0866 -0.9578094 1.554816 
1 1 1    8    9   15 o   76.584   0.6972  5695.26  103.617  5645.75  148.179  5742.63  144.948   76.258   1.0010   76.910   0.9709 -0.6521149 1.394493 
1 1 1    8    9   16 o  141.771   0.9785 19522.29  269.290 19551.87  381.132 19492.80  380.536  141.878   1.3839  141.664   1.3838 0.2144775 1.957028 
1 1 1    8    9   17 o   87.840   0.8117  7492.32  138.374  7535.67  198.008  7450.94  193.452   88.088   1.1580   87.592   1.1377 0.4957352 1.623392 
1 1 1    8    9   18 o   43.040   0.7149  1795.82   59.512  1833.86   88.391  1764.27   80.489   43.456   1.0478   42.625   0.9728 0.8308105 1.429769 
1 1 1    8    9   19 o   43.047   0.7473  1802.49   62.351  1728.85   89.449  1872.08   86.960   42.189   1.0922   43.904   1.0203 -1.714878 1.494666 
1 1 1    8    9   20 o   12.522   2.1250  158.040   51.696  204.572   75.009  115.939   71.348   14.235   2.8143   10.810   3.1847 3.424986 4.249997 
1 1 1    8    9   21 o   44.487   0.7745  1917.79   66.560  1970.43   99.737  1875.53   89.374   45.034   1.1409   43.940   1.0478 1.094376 1.549058 
1 1 1    8    9   22 o   40.395   1.0100  1570.86   76.475  1527.58   95.746  1647.13  127.099   39.643   1.2442   41.147   1.5913 -1.503223 2.019930 
1 1 1    8    9   23 o   60.812   0.7758  3598.89   91.463  3460.88  131.018  3730.08  127.740   59.671   1.1311   61.953   1.0622 -2.282536 1.551652 
1 1 1    8    9   24 o   80.978   0.8485  6373.82  133.227  6427.11  193.518  6325.81  183.688   81.296   1.2263   80.660   1.1732 0.6366043 1.697072 
1 1 1    8    9   25 o   79.095   1.0486  6107.00  149.732  6068.54  265.701  6124.90  181.253   78.853   1.7358   79.337   1.1769 -0.4841614 2.097204 
1 1 1    8    9   26 o   39.462   0.9194  1514.63   70.199  1555.64  104.090  1480.41   95.074   39.946   1.3424   38.979   1.2565 0.9670448 1.838703 
1 1 1    8    9   27 o   43.790   0.8651  1855.21   72.927  1983.68  111.904  1760.37   96.148   45.087   1.2786   42.493   1.1656 2.594276 1.730161 
1 1 1    8    9   28 o   23.475   1.3540  548.345   60.186  524.890   95.124  564.002   77.720   23.005   2.1301   23.945   1.6720 -0.9401722 2.707965 
1 1 1    8    9   29 o   42.175   0.8927  1736.92   72.447  1792.60  110.709  1695.21   95.810   42.739   1.3344   41.610   1.1862 1.129238 1.785400 
1 1 1    8    9   30 o   21.123   1.6808  472.032   65.380  367.709  102.339  543.975   84.985   18.893   2.7904   23.353   1.8747 -4.459642 3.361674 
1 1 1    8    9   31 o   39.531   1.0146  1538.65   77.259  1614.79  117.867  1481.30  102.300   40.344   1.5050   38.717   1.3612 1.627106 2.029253 
1 1 1    8    9   32 o   25.219   2.0400  682.427   95.258  669.794  158.628  689.552  119.130   24.664   3.3132   25.774   2.3810 -1.110548 4.080063 
1 1 1    8   10    0 o  225.720   1.2377 49407.88  537.533 49047.78  713.011 49882.03  818.165  224.772   1.6341  226.668   1.8595 -1.895905 2.475473 
1 1 1    8   10    1 o  272.240   1.3003 71998.71  685.982 71154.63  996.482 72759.05  945.756  270.720   1.8962  273.760   1.7797 -3.039917 2.600550 
1 1 1    8   10    2 o  287.661   1.3294 80360.02  741.180 79908.38  1077.37 80765.87  1021.25  286.891   1.9346  288.431   1.8240 -1.539703 2.658858 
1 1 1    8   10    3 o  132.834   0.8826 17127.36  227.583 17266.94  322.565 16989.00  321.143  133.373   1.2459  132.295   1.2505 1.077866 1.765240 
1 1 1    8   10    4 o  249.641   1.2859 60511.04  621.420 60353.13  913.025 60647.32  848.194  249.335   1.8864  249.946   1.7482 -0.6109314 2.571889 
1 1 1    8   10    5 o  289.741   1.4008 81531.93  781.607 81256.90  1181.35 81746.07  1042.37  289.301   2.1036  290.180   1.8505 -0.8788757 2.801687 
1 1 1    8   10    6 o  222.826   1.1711 48198.98  506.505 48093.36  710.748 48307.98  721.997  222.578   1.6450  223.074   1.6673 -0.4954987 2.342229 
1 1 1    8   10    7 o  166.151   1.1149 26774.93  354.882 26648.77  465.212 26950.53  548.855  165.686   1.4464  166.616   1.6970 -0.9303284 2.229776 
1 1 1    8   10    8 o   86.519   0.6920  7261.14  116.106  7370.16  168.372  7162.30  160.322   87.137   0.9954   85.900   0.9615 1.237297 1.383929 
1 1 1    8   10    9 o  198.093   1.0958 38092.40  420.079 38132.89  619.126 38057.87  571.849  198.189   1.6093  197.997   1.4878 0.1915741 2.191684 
1 1 1    8   10   10 o  209.668   1.1233 42655.44  455.719 42954.30  672.973 42402.32  619.331  210.344   1.6482  208.992   1.5266 1.352112 2.246552 
1 1 1    8   10   11 o  238.831   1.1966 55411.86  552.910 55020.69  814.602 55746.01  752.903  238.046   1.7629  239.617   1.6187 -1.571274 2.393277 
1 1 1    8   10   12 o  124.830   0.8878 15136.96  214.991 14758.61  306.884 15501.62  301.280  123.297   1.2822  126.363   1.2282 -3.066826 1.775566 
1 1 1    8   10   13 f   44.668   0.6362  1937.41   55.121  1922.02   79.361  1951.76   76.617   44.496   0.9188   44.839   0.8802 -0.3432922 1.272404 
1 1 1    8   10   14 o  124.837   0.9526 15142.45  230.671 14812.65  330.488 15455.74  322.109  123.510   1.3784  126.165   1.3152 -2.655151 1.905235 
1 1 1    8   10   15 o   60.985   0.6530  3611.57   77.123  3597.89  112.907  3623.55  105.595   60.877   0.9554   61.094   0.8904 -0.2177505 1.306012 
1 1 1    8   10   16 o   79.539   0.7145  6138.64  110.216  6240.48  159.760  6046.16  152.248   80.168   1.0266   78.911   0.9939 1.257004 1.428909 
1 1 1    8   10   17 o   44.873   0.7836  1954.94   67.126  1952.59   87.311  1958.33  104.969   44.842   1.0030   44.904   1.2042 -0.6130981E-01 1.567253 
1 1 1    8   10   18 o   80.307   0.9074  6259.88  135.460  6247.92  168.729  6281.56  227.201   80.209   1.0837   80.405   1.4557 -0.1964188 1.814757 
1 1 1    8   10   19 o   46.109   0.7406  2061.12   66.150  2120.39   97.245  2010.08   90.246   46.724   1.0722   45.494   1.0219 1.230198 1.481163 
1 1 1    8   10   20 o   49.039   0.7415  2337.42   70.525  2284.13  101.058  2388.02   98.469   48.492   1.0736   49.585   1.0230 -1.092361 1.482948 
1 1 1    8   10   21 o   31.579   0.9705  961.122   59.165  1046.72   89.590  894.917   78.790   32.814   1.4065   30.344   1.3376 2.470428 1.940995 
1 1 1    8   10   22 o   17.564   1.6885  302.245   57.326  279.251   82.684  323.528   79.550   16.913   2.5185   18.215   2.2498 -1.302193 3.377048 
1 1 1    8   10   23 f   72.589   0.9613  5140.04  129.898  5179.25  162.486  5070.61  216.227   72.996   1.1467   72.183   1.5431 0.8124695 1.922567 
1 1 1    8   10   24 o   61.581   0.8002  3684.72   95.467  3721.21  139.759  3652.80  130.715   61.864   1.1638   61.299   1.0985 0.5653610 1.600362 
1 1 1    8   10   25 o   27.982   1.2547  765.173   67.779  758.846  101.075  770.344   91.367   27.868   1.8684   28.097   1.6752 -0.2286987 2.509433 
1 1 1    8   10   26 o   37.821   0.9795  1414.01   70.627  1277.39  107.440  1517.97   93.722   36.170   1.5302   39.472   1.2232 -3.301666 1.959008 
1 1 1    8   10   27 o   26.378   1.2263  692.110   61.359  629.086   94.995  737.228   80.375   25.300   1.9343   27.455   1.5081 -2.155397 2.452694 
1 1 1    8   10   28 o   44.845   0.8581  1975.76   74.006  1888.75  111.139  2045.07   99.196   43.929   1.3033   45.762   1.1167 -1.832493 1.716276 
1 1 1    8   10   29 o   12.283   2.3893  147.097   61.786  251.526   97.046   75.913   80.123   15.308   3.3582   9.2585   3.3997 6.049495 4.778625 
1 1 1    8   10   30 o   42.451   0.9377  1768.95   76.668  1811.67  116.476  1736.29  101.842   42.868   1.3997   42.033   1.2482 0.8345795 1.875392 
1 1 1    8   10   31 o   31.867   1.3655  1033.61   82.856  1092.75  109.254  953.550  127.118   33.080   1.7014   30.655   2.1362 2.425400 2.730960 
1 1 1    8   11    0 o  259.181   1.2837 65198.28  644.154 65460.50  946.689 64972.21  879.013  259.664   1.8782  258.698   1.7504 0.9655151 2.567362 
1 1 1    8   11    1 o  220.619   1.1540 47247.86  494.201 47008.07  694.359 47494.03  703.544  220.052   1.6255  221.186   1.6386 -1.134155 2.308092 
1 1 1    8   11    2 o  156.365   1.2013 23706.48  357.436 23588.57  461.362 23883.52  565.314  155.883   1.5247  156.848   1.8567 -0.9653320 2.402509 
1 1 1    8   11    3 o  159.077   1.0875 24596.69  332.962 24317.68  503.293 24813.84  444.017  158.273   1.6381  159.882   1.4306 -1.609787 2.174912 
1 1 1    8   11    4 o  172.177   1.0955 28745.57  364.692 29124.64  541.968 28431.91  493.005  173.212   1.6119  171.141   1.4840 2.070190 2.190975 
1 1 1    8   11    5 o  392.003   1.6159 149203.20  1229.57 149836.70  1734.14 148562.80  1743.64  392.841   2.2741  391.166   2.2963 1.674896 3.231778 
1 1 1    8   11    6 o  216.309   1.2355 45383.02  515.034 45091.04  687.163 45757.30  778.003  215.518   1.6425  217.099   1.8461 -1.580643 2.471036 
1 1 1    8   11    7 o  243.311   1.2320 57473.49  581.880 57609.03  820.964 57336.66  824.856  243.599   1.7361  243.023   1.7485 0.5769348 2.464024 
1 1 1    8   11    8 o   16.923   0.9593  278.346   31.473  287.391   43.914  268.793   45.130   17.206   1.3148   16.640   1.3972 0.5661736 1.918504 
1 1 1    8   11    9 o   70.271   0.6431  4793.06   87.708  4799.44  125.470  4786.97  122.653   70.317   0.9192   70.226   0.8997 0.9125519E-01 1.286263 
1 1 1    8   11   10 o   88.204   0.7280  7541.63  124.518  7761.53  181.247  7345.06  171.359   89.420   1.0442   86.988   1.0148 2.431870 1.456064 
1 1 1    8   11   11 o  121.244   0.8637 14275.73  203.119 14135.52  292.439 14406.41  282.335  120.669   1.2485  121.820   1.1939 -1.151817 1.727463 
1 1 1    8   11   12 f  176.846   1.1526 30381.00  395.046 30610.97  544.688 30125.77  573.808  177.555   1.5803  176.137   1.6782 1.417389 2.305193 
1 1 1    8   11   13 o   59.365   0.6327  3420.61   72.877  3438.51  104.718  3403.79  101.484   59.515   0.9064   59.214   0.8829 0.3009529 1.265343 
1 1 1    8   11   14 o  120.268   0.9237 14048.89  215.398 13950.45  311.702 14138.87  297.997  119.863   1.3396  120.672   1.2722 -0.8092499 1.847438 
1 1 1    8   11   15 o  128.620   0.9443 16086.93  235.015 15769.86  344.454 16363.09  321.459  127.429   1.3925  129.810   1.2757 -2.380783 1.888519 
1 1 1    8   11   16 o   95.385   0.7843  8833.03  145.195  8927.43  207.997  8743.31  202.776   95.881   1.1175   94.888   1.1009 0.9931564 1.568692 
1 1 1    8   11   17 o  111.636   0.9121 12104.19  197.385 12131.51  286.894 12079.63  271.992  111.754   1.3225  111.519   1.2564 0.2347641 1.824183 
1 1 1    8   11   18 o   32.729   0.8575  1048.51   54.013  962.822   79.721  1121.21   73.438   31.482   1.3045   33.977   1.1134 -2.495102 1.715084 
1 1 1    8   11   19 o   94.081   0.8819  8596.57  161.036  8470.13  225.153  8728.99  230.417   93.373   1.2422   94.788   1.2523 -1.415306 1.763867 
1 1 1    8   11   20 o   43.074   0.7773  1802.70   64.940  1791.46   93.641  1813.12   90.139   42.943   1.1233   43.204   1.0748 -0.2603149 1.554676 
1 1 1    8   11   21 o   79.428   0.8096  6130.75  124.789  6073.82  178.000  6185.78  174.995   79.064   1.1598   79.791   1.1298 -0.7275925 1.619127 
1 1 1    8   11   22 o   40.706   0.8631  1609.87   68.167  1627.98   98.206  1593.03   94.696   40.926   1.2362   40.486   1.2049 0.4402275 1.726253 
1 1 1    8   11   23 o   67.686   0.7935  4453.08  104.243  4445.87  148.832  4460.03  146.052   67.632   1.1337   67.741   1.1107 -0.1095505 1.587070 
1 1 1    8   11   24 o  121.279   1.3482 14392.76  302.188 14501.37  374.808 14191.04  510.818  122.026   1.5823  120.531   2.1833 1.496056 2.696342 
1 1 1    8   11   25 o   84.202   0.8724  6903.36  142.520  6868.92  204.684  6935.77  198.562   83.994   1.2554   84.410   1.2118 -0.4166870 1.744836 
1 1 1    8   11   26 o   63.884   0.8104  3980.58  100.210  3891.14  146.384  4059.47  137.471   63.198   1.1932   64.570   1.0968 -1.371311 1.620709 
1 1 1    8   11   27 o   99.707   0.9660  9700.20  186.687  9904.98  272.704  9519.59  256.107  100.682   1.3953   98.731   1.3363 1.950806 1.931992 
1 1 1    8   11   28 o   28.905   1.1557  823.467   64.328  808.776   96.799  835.086   86.087   28.647   1.7407   29.162   1.5208 -0.5145588 2.311435 
1 1 1    8   11   29 o   39.556   0.9636  1544.98   73.450  1449.49  108.548  1625.63   99.757   38.390   1.4566   40.722   1.2620 -2.332436 1.927231 
1 1 1    8   11   30 o   37.396   1.0352  1382.22   74.625  1372.29  112.101  1390.12  100.004   37.236   1.5509   37.556   1.3717 -0.3203697 2.070496 
1 1 1    8   11   31 o   34.390   1.3082  1192.24   86.327  1220.20  114.680  1155.68  131.137   34.952   1.6902   33.827   1.9971 1.125458 2.616354 
1 1 1    8   12    0 f   78.044   0.6280  5909.60   95.123  5783.81  132.921  6041.65  136.188   77.193   0.8871   78.895   0.8893 -1.701790 1.256041 
1 1 1    8   12    1 o  114.091   0.8083 12634.48  179.010 12559.12  251.959 12711.28  254.373  113.748   1.1411  114.435   1.1451 -0.6869659 1.616600 
1 1 1    8   12    2 o  318.747   1.4120 98641.17  873.613 99196.83  1232.12 98079.43  1238.86  319.651   1.9857  317.844   2.0079 1.806396 2.823942 
1 1 1    8   12    3 o  249.541   1.3046 60382.94  627.425 61025.39  947.961 59882.11  836.989  250.718   1.9478  248.365   1.7361 2.353531 2.609166 
1 1 1    8   12    4 o  294.211   1.3079 84031.17  746.854 83914.60  1047.82 84151.55  1064.81  294.004   1.8360  294.418   1.8631 -0.4138489 2.615726 
1 1 1    8   12    5 o  198.237   1.1769 38064.55  450.036 37420.64  601.166 38885.44  678.773  196.336   1.5774  200.138   1.7471 -3.801880 2.353842 
1 1 1    8   12    6 f  502.187   1.7363 244887.80  1692.53 244925.41  2385.73 244849.80  2401.56  502.226   2.4471  502.147   2.4638 0.7910156E-01 3.472537 
1 1 1    8   12    7 o  116.526   0.8365 13177.06  189.176 13371.43  270.350 12990.58  264.808  117.367   1.1866  115.684   1.1792 1.683418 1.672911 
1 1 1    8   12    8 o  130.975   0.8813 16666.55  223.885 16100.24  319.420 17213.46  313.895  128.786   1.2777  133.165   1.2143 -4.378799 1.762687 
1 1 1    8   12    9 o  421.027   1.4971 172299.50  1215.95 170511.50  1819.04 173743.80  1634.89  419.040   2.2363  423.014   1.9910 -3.974121 2.994141 
1 1 1    8   12   10 o  120.538   0.8795 14106.83  205.599 14049.61  296.915 14159.55  284.974  120.303   1.2714  120.774   1.2155 -0.4706650 1.758989 
1 1 1    8   12   11 o  109.030   0.8154 11536.93  172.442 11618.68  249.048 11461.63  239.001  109.401   1.1727  108.660   1.1331 0.7412033 1.630703 
1 1 1    8   12   12 o  326.751   1.3598 103679.10  857.610 103828.30  1283.46 103558.60  1152.73  326.952   2.0222  326.550   1.8185 0.4024353 2.719633 
1 1 1    8   12   13 o  110.015   0.8320 11753.73  177.633 11558.03  252.346 11945.96  250.092  109.107   1.1915  110.924   1.1615 -1.816788 1.663913 
1 1 1    8   12   14 o  166.165   1.1343 26820.39  365.035 26895.29  500.125 26735.00  534.016  166.416   1.5482  165.913   1.6581 0.5036163 2.268500 
1 1 1    8   12   15 o  171.493   1.1511 28566.86  382.256 28605.84  560.633 28532.99  522.555  171.597   1.6831  171.389   1.5707 0.2084961 2.302116 
1 1 1    8   12   16 o   88.440   0.8220  7597.01  140.987  7569.05  203.592  7622.77  195.430   88.282   1.1880   88.597   1.1363 -0.3149796 1.643964 
1 1 1    8   12   17 o   58.374   0.6801  3303.90   76.984  3408.63  112.090  3210.40  105.916   59.248   0.9746   57.500   0.9489 1.747948 1.360257 
1 1 1    8   12   18 o  161.927   1.1306 25485.23  355.371 25462.87  502.056 25507.68  503.086  161.855   1.5979  161.998   1.5998 -0.1420898 2.261149 
1 1 1    8   12   19 o   71.083   0.7569  4907.26  104.421  4930.82  149.112  4884.58  146.275   71.250   1.0781   70.916   1.0626 0.3341522 1.513734 
1 1 1    8   12   20 o   74.611   0.7799  5406.18  112.899  5455.79  162.423  5359.81  157.040   74.941   1.1165   74.281   1.0891 0.6605835 1.559727 
1 1 1    8   12   21 o  129.385   1.1572 16279.63  290.590 16518.01  416.130 16052.76  405.970  130.308   1.6451  128.462   1.6280 1.845215 2.314460 
1 1 1    8   12   22 o  114.140   1.0460 12670.20  231.734 12738.81  329.842 12603.32  325.642  114.444   1.4847  113.835   1.4737 0.6084900 2.091916 
1 1 1    8   12   23 o   74.280   0.8163  5362.54  117.646  5384.78  169.067  5341.67  163.810   74.427   1.1702   74.132   1.1383 0.2954941 1.632540 
1 1 1    8   12   24 o   47.169   0.8556  2167.36   78.060  2120.69  114.719  2207.59  106.522   46.691   1.2657   47.648   1.1517 -0.9562798 1.711258 
1 1 1    8   12   25 o   42.189   1.2765  1726.24  103.114  1815.29  161.274  1664.67  134.106   43.082   1.9284   41.295   1.6730 1.787277 2.552940 
1 1 1    8   12   26 o   42.027   0.9085  1716.80   73.623  1766.41  111.362  1678.29   98.126   42.555   1.3481   41.499   1.2181 1.056084 1.816906 
1 1 1    8   12   27 o   30.798   1.2937  924.384   76.953  807.307  104.213  1064.77  114.117   28.661   1.8731   32.935   1.7850 -4.273283 2.587383 
1 1 1    8   12   28 o   25.488   1.3185  635.623   64.772  694.826   98.999  591.312   85.648   26.500   1.9245   24.475   1.8027 2.025019 2.636921 
1 1 1    8   12   29 o   39.406   0.9629  1524.59   73.374  1529.58  108.669  1520.41   99.473   39.446   1.4192   39.367   1.3017 0.7878113E-01 1.925751 
1 1 1    8   12   30 o   35.374   1.0782  1243.67   73.128  1200.13  111.385  1276.66   96.948   34.769   1.6503   35.978   1.3881 -1.208996 2.156488 
1 1 1    8   12   31 o   10.429   2.9221   95.382   89.405   46.461  140.641  128.559  115.820   9.7845   4.1801   11.073   4.0842 -1.288167 5.844123 
1 1 1    8   13    0 o   74.524   0.6075  5386.95   87.834  5274.41  121.898  5508.46  126.670   73.715   0.8519   75.333   0.8662 -1.617729 1.214910 
1 1 1    8   13    1 o  301.204   1.3500 88121.77  788.434 87056.91  1138.76 89102.24  1092.70  299.454   1.9590  302.955   1.8581 -3.501068 2.700010 
1 1 1    8   13    2 o  126.736   0.9025 15604.53  221.791 15242.03  318.866 15944.27  308.700  125.308   1.3109  128.163   1.2408 -2.854851 1.805002 
1 1 1    8   13    3 o  558.149   1.7880 302408.91  1936.05 300268.19  2686.81 304720.91  2792.21  556.099   2.4890  560.200   2.5677 -4.100952 3.576025 
1 1 1    8   13    4 o   83.425   0.7740  6750.98  122.459  6776.69  195.434  6734.37  157.131   83.555   1.2049   83.295   0.9718 0.2599182 1.547995 
1 1 1    8   13    5 o  243.650   1.2216 57633.39  577.765 57880.48  815.484 57384.34  818.693  244.175   1.7205  243.126   1.7347 1.049210 2.443202 
1 1 1    8   13    6 o  183.371   1.0809 32642.39  384.727 32675.64  541.057 32608.39  547.168  183.466   1.5192  183.277   1.5380 0.1893158 2.161807 
1 1 1    8   13    7 o  185.845   1.0991 33530.17  396.496 33691.99  559.188 33366.55  562.284  186.296   1.5463  185.394   1.5624 0.9023285 2.198207 
1 1 1    8   13    8 o  203.904   1.1571 40365.88  457.948 40627.38  645.485 40100.86  649.809  204.569   1.6255  203.238   1.6471 1.330551 2.314101 
1 1 1    8   13    9 o  395.714   1.5518 152085.09  1190.61 152751.80  1645.86 151353.09  1724.44  396.628   2.1377  394.799   2.2501 1.829132 3.103668 
1 1 1    8   13   10 o  100.262   0.7912  9745.27  153.792 10009.36  224.177  9510.48  211.377  101.544   1.1373   98.981   1.1001 2.562408 1.582309 
1 1 1    8   13   11 o  212.683   1.2125 43921.49  500.598 44083.88  708.934 43760.00  706.974  213.075   1.7140  212.291   1.7156 0.7842560 2.425061 
1 1 1    8   13   12 o  243.457   1.2245 57549.57  576.394 57689.86  854.475 57432.43  780.788  243.723   1.8061  243.191   1.6539 0.5321503 2.448973 
1 1 1    8   13   13 o  133.317   0.9386 17259.83  242.679 17215.21  350.452 17300.93  336.379  133.151   1.3559  133.484   1.2982 -0.3334961 1.877145 
1 1 1    8   13   14 o  202.008   1.3972 39657.86  544.286 39533.16  817.177 39757.30  729.703  201.711   2.0870  202.304   1.8581 -0.5936279 2.794317 
1 1 1    8   13   15 o   50.738   0.6427  2495.58   63.205  2562.90   92.459  2436.52   86.600   51.379   0.9270   50.097   0.8905 1.282200 1.285470 
1 1 1    8   13   16 o   89.609   0.7617  7794.04  132.359  7869.62  192.014  7725.61  182.700   90.022   1.0988   89.196   1.0552 0.8256454 1.523408 
1 1 1    8   13   17 o   63.806   0.6857  3954.38   84.889  3913.96  121.504  3992.92  118.648   63.487   0.9859   64.126   0.9532 -0.6382370 1.371324 
1 1 1    8   13   18 o   76.119   0.7587  5626.56  112.098  5530.06  157.434  5725.79  159.651   75.457   1.0748   76.781   1.0712 -1.323967 1.517428 
1 1 1    8   13   19 o   33.534   0.8660  1098.11   56.069  1016.91   81.599  1170.75   77.174   32.351   1.2994   34.716   1.1452 -2.364941 1.731981 
1 1 1    8   13   20 o  106.106   0.9747 10942.41  200.741 10938.83  285.840 10945.89  281.982  106.088   1.3880  106.124   1.3688 -0.3623199E-01 1.949403 
1 1 1    8   13   21 o  109.168   1.0031 11587.61  212.561 11518.21  300.430 11657.17  300.783  108.840   1.4220  109.496   1.4151 -0.6555328 2.006116 
1 1 1    8   13   22 o   47.881   0.8141  2229.29   75.580  2200.76  109.082  2255.63  104.817   47.585   1.1809   48.178   1.1208 -0.5928040 1.628112 
1 1 1    8   13   23 o   56.682   0.7920  3124.16   87.057  3091.95  125.666  3153.88  120.716   56.399   1.1478   56.965   1.0917 -0.5661354 1.584072 
1 1 1    8   13   24 o   35.411   1.0003  1219.47   68.498  1233.68  101.643  1207.64   92.713   35.596   1.4710   35.227   1.3558 0.3693008 2.000530 
1 1 1    8   13   25 o   93.672   0.9283  8545.85  168.721  8597.67  242.428  8497.17  234.963   93.943   1.3294   93.401   1.2959 0.5420609 1.856544 
1 1 1    8   13   26 o   30.318   1.1311  896.232   66.048  917.286  100.372  880.153   87.715   30.618   1.6888   30.017   1.5054 0.6013470 2.262297 
1 1 1    8   13   27 o   48.133   0.8465  2263.55   78.647  2232.24  117.182  2289.22  106.092   47.816   1.2625   48.451   1.1280 -0.6352043 1.693002 
1 1 1    8   13   28 o   19.215   1.7507  361.507   64.381  458.336   99.360  291.432   84.526   21.401   2.3917   17.028   2.5571 4.372440 3.501316 
1 1 1    8   13   29 o   31.648   1.1677  986.558   71.014  1010.15  108.926  969.115   93.653   31.940   1.7568   31.357   1.5386 0.5830822 2.335330 
1 1 1    8   13   30 o   22.369   1.5570  509.299   66.454  484.433  102.312  527.445   87.400   21.802   2.4175   22.936   1.9630 -1.134224 3.114101 
1 1 1    8   13   31 o   15.416   2.8849  266.782   87.425  374.245  140.371  198.681  111.744   17.799   4.1407   13.034   4.0180 4.765423 5.769753 
1 1 1    8   14    0 o  263.576   1.2452 67442.30  637.053 67426.46  896.428 67458.48  905.497  263.545   1.7522  263.607   1.7696 -0.6204224E-01 2.490323 
1 1 1    8   14    1 o  371.730   1.5803 134130.59  1140.04 132954.91  1590.52 135372.80  1634.90  370.056   2.2142  373.404   2.2555 -3.347595 3.160675 
1 1 1    8   14    2 o  266.879   1.2603 69097.45  652.564 67809.31  905.309 70490.59  941.483  264.292   1.7646  269.466   1.7999 -5.173462 2.520596 
1 1 1    8   14    3 o  386.306   1.6932 144658.59  1256.99 143241.20  1660.14 146562.91  1924.27  384.101   2.2266  388.510   2.5515 -4.408295 3.386413 
1 1 1    8   14    4 o   80.904   0.7590  6348.35  115.260  6333.39  145.424  6373.62  189.021   80.777   0.9274   81.031   1.2017 -0.2544403 1.517957 
1 1 1    8   14    5 o   33.736   0.5059  1100.44   33.028  1053.56   44.660  1157.03   49.069   32.946   0.6983   34.526   0.7321 -1.579845 1.011762 
1 1 1    8   14    6 o  148.926   0.9551 21522.39  276.079 21083.91  386.342 21979.95  394.660  147.376   1.3505  150.475   1.3511 -3.099060 1.910300 
1 1 1    8   14    7 f   60.567   0.5752  3559.55   67.615  3613.75   96.771  3507.85   94.514   61.017   0.8170   60.116   0.8099 0.9006386 1.150427 
1 1 1    8   14    8 o   86.892   0.8439  7343.58  137.584  7385.83  173.852  7272.75  225.062   87.229   1.0267   86.555   1.3395 0.6734085 1.687726 
1 1 1    8   14    9 o  133.199   0.9631 17217.98  248.512 17144.13  340.379 17302.28  363.676  132.894   1.3194  133.504   1.4033 -0.6100922 1.926200 
1 1 1    8   14   10 f  375.618   1.4379 137072.50  1046.98 135777.70  1516.98 138250.30  1446.81  373.917   2.0900  377.318   1.9753 -3.400604 2.875737 
1 1 1    8   14   11 o  426.619   1.5256 176894.41  1262.10 173737.09  1817.02 179837.80  1754.39  422.930   2.2132  430.307   2.1003 -7.377167 3.051169 
1 1 1    8   14   12 o  100.535   0.8256  9813.84  161.066  9779.26  230.842  9846.65  224.840  100.362   1.1849  100.709   1.1501 -0.3460617 1.651283 
1 1 1    8   14   13 o  108.487   0.8243 11426.84  173.536 11428.51  248.854 11425.27  242.119  108.494   1.1816  108.479   1.1498 0.1440430E-01 1.648699 
1 1 1    8   14   14 o  102.095   0.8326 10116.35  164.979 10318.50  236.441  9924.55  230.311  103.089   1.1815  101.102   1.1735 1.986786 1.665286 
1 1 1    8   14   15 f   56.991   0.6401  3152.34   70.739  3175.19  102.592  3131.64   97.669   57.187   0.9242   56.794   0.8859 0.3928642 1.280196 
1 1 1    8   14   16 o   66.143   0.6864  4248.85   88.093  4218.31  126.294  4277.79  122.938   65.911   0.9871   66.375   0.9541 -0.4640350 1.372861 
1 1 1    8   14   17 o  155.403   1.1115 23479.98  334.809 23236.41  485.445 23700.96  462.380  154.628   1.6173  156.177   1.5252 -1.549072 2.222998 
1 1 1    8   14   18 o  138.083   1.0595 18523.88  283.604 18664.68  412.637 18397.83  390.437  138.575   1.5340  137.590   1.4618 0.9852142 2.118972 
1 1 1    8   14   19 o   98.979   0.9180  9515.05  176.336  9247.68  246.670  9794.49  252.176   97.558   1.3025  100.401   1.2939 -2.843536 1.835963 
1 1 1    8   14   20 o   63.243   0.7370  3884.68   90.391  3895.16  130.861  3875.12  125.005   63.323   1.0646   63.162   1.0195 0.1609344 1.474047 
1 1 1    8   14   21 o   19.116   1.5524  360.219   56.954  316.472   83.476  398.321   77.904   18.010   2.3877   20.222   1.9846 -2.211424 3.104761 
1 1 1    8   14   22 o  143.798   1.2747 20137.49  355.797 20299.16  506.849 19980.44  499.577  144.366   1.8086  143.231   1.7968 1.134598 2.549437 
1 1 1    8   14   23 o   58.257   0.7888  3302.95   89.013  3232.61  129.457  3366.03  122.590   57.665   1.1565   58.850   1.0731 -1.184509 1.577681 
1 1 1    8   14   24 o   27.759   1.2023  751.180   64.332  751.514   96.857  750.917   86.057   27.757   1.7976   27.761   1.5970 -0.3437042E-02 2.404503 
1 1 1    8   14   25 o   33.967   1.0570  1122.45   69.184  1148.31  104.871  1102.53   92.058   34.304   1.5749   33.631   1.4101 0.6728325 2.113928 
1 1 1    8   14   26 o   90.696   0.9063  8018.29  159.486  8152.38  229.925  7893.95  221.410   91.422   1.2956   89.971   1.2677 1.451271 1.812661 
1 1 1    8   14   27 f   19.080   1.7944  365.971   65.716  317.921   95.522  409.150   90.550   17.835   2.7590   20.324   2.2952 -2.488319 3.588891 
1 1 1    8   14   28 o   14.422   2.2047  237.908   63.218   99.423   96.548  341.840   83.641   10.359   3.7428   18.485   2.3309 -8.125672 4.409324 
1 1 1    8   14   29 o   24.037   1.4621  568.094   67.284  630.547  106.119  526.109   87.010   25.087   2.1791   22.987   1.9499 2.099842 2.924192 
1 1 1    8   14   30 o   25.099   1.4513  627.471   69.661  671.491  109.696  597.722   90.178   25.766   2.1932   24.432   1.9014 1.333439 2.902682 
1 1 1    8   14   31 o   15.517   2.8263  260.253   85.539  411.550  142.762  175.513  106.841   18.726   4.0456   12.309   3.9477 6.416997 5.652539 
1 1 1    8   15    0 o  213.209   1.2048 44153.73  496.154 43880.23  738.482 44378.77  669.862  212.605   1.7894  213.813   1.6139 -1.208344 2.409699 
1 1 1    8   15    1 o  354.194   1.4780 121796.70  1016.09 121756.50  1426.56 121838.10  1447.62  354.135   2.0752  354.252   2.1051 -0.1172180 2.955991 
1 1 1    8   15    2 o   76.600   0.6244  5692.47   92.708  5643.80  127.531  5747.02  135.006   76.253   0.8616   76.947   0.9038 -0.6939240 1.248700 
1 1 1    8   15    3 o  337.490   1.4775 110431.70  956.929 109592.80  1259.46 111577.40  1471.83  335.983   1.9311  338.996   2.2366 -3.013336 2.954940 
1 1 1    8   15    4 o  172.391   1.0396 28842.87  347.864 28447.38  487.349 29253.67  496.691  171.186   1.4666  173.595   1.4740 -2.408875 2.079281 
1 1 1    8   15    5 o  299.078   1.3275 86826.02  770.586 85937.86  1079.75 87747.94  1100.08  297.519   1.8696  300.636   1.8850 -3.116211 2.654930 
1 1 1    8   15    6 o  149.443   0.9758 21680.75  283.066 21808.76  398.872 21550.88  401.774  149.887   1.3709  148.998   1.3891 0.8891296 1.951655 
1 1 1    8   15    7 o  151.046   0.9883 22144.66  289.714 22001.13  405.249 22294.70  414.338  150.546   1.3867  151.546   1.4085 -1.000641 1.976548 
1 1 1    8   15    8 o  108.353   0.8335 11396.52  175.300 11402.94  247.174 11390.03  248.656  108.383   1.1748  108.322   1.1825 0.6145477E-01 1.666927 
1 1 1    8   15    9 o  117.119   0.9675 13333.77  218.611 13482.72  294.230 13150.22  326.627  117.851   1.2861  116.386   1.4457 1.464890 1.935014 
1 1 1    8   15   10 o  156.871   1.0563 23891.25  321.642 24151.43  455.957 23633.53  453.791  157.721   1.4893  156.021   1.4983 1.700546 2.112554 
1 1 1    8   15   11 o  101.240   0.8242  9952.56  161.915  9861.54  231.734 10039.39  226.326  100.787   1.1845  101.692   1.1465 -0.9055099 1.648470 
1 1 1    8   15   12 o  139.265   1.0053 18825.92  271.384 18964.06  395.016 18702.44  373.478  139.747   1.4561  138.783   1.3863 0.9641724 2.010534 
1 1 1    8   15   13 o   66.149   0.6571  4248.09   84.371  4230.20  120.025  4265.56  118.623   66.011   0.9367   66.287   0.9219 -0.2755966 1.314244 
1 1 1    8   15   14 o  114.664   0.9726 12767.98  216.480 12662.77  305.752 12873.73  306.547  114.190   1.3794  115.138   1.3716 -0.9476242 1.945193 
1 1 1    8   15   15 o   61.279   0.6691  3646.09   79.586  3622.33  112.790  3669.65  112.316   61.080   0.9513   61.478   0.9411 -0.3979263 1.338163 
1 1 1    8   15   16 o  116.607   0.9601 13210.53  217.119 13154.30  313.722 13262.22  300.791  116.367   1.3888  116.848   1.3261 -0.4807892 1.920268 
1 1 1    8   15   17 o  131.570   1.0648 16828.20  271.657 16642.41  392.297 16999.38  376.548  130.868   1.5442  132.272   1.4665 -1.403717 2.129637 
1 1 1    8   15   18 o   72.286   0.7418  5073.15  103.939  5108.77  151.298  5041.31  143.034   72.525   1.0747   72.047   1.0227 0.4780350 1.483543 
1 1 1    8   15   19 o  104.554   0.9569 10623.25  194.194 10539.81  275.057 10706.17  274.208  104.144   1.3606  104.964   1.3458 -0.8200531 1.913710 
1 1 1    8   15   20 o   24.735   1.1451  589.246   54.584  699.847   81.352  498.684   73.614   26.828   1.5621   22.643   1.6748 4.184656 2.290242 
1 1 1    8   15   21 o   27.816   1.0959  753.858   59.043  732.097   85.658  773.557   81.498   27.431   1.6086   28.202   1.4887 -0.7709332 2.191777 
1 1 1    8   15   22 f   30.616   1.0600  911.863   62.840  915.045   92.284  909.112   85.807   30.663   1.5504   30.569   1.4460 0.9423447E-01 2.120059 
1 1 1    8   15   23 o   28.040   1.1529  764.424   62.670  787.700   91.490  743.849   86.020   28.440   1.6572   27.640   1.6032 0.7999973 2.305780 
1 1 1    8   15   24 o   79.442   0.8454  6139.52  130.286  6145.36  187.838  6134.11  180.863   79.475   1.2176   79.409   1.1733 0.6597900E-01 1.690890 
1 1 1    8   15   25 o   50.913   0.8196  2520.28   80.802  2567.55  119.006  2479.85  110.060   51.350   1.1939   50.475   1.1233 0.8753281 1.639240 
1 1 1    8   15   26 o   46.873   0.8577  2130.76   77.696  2258.50  116.605  2028.76  104.196   48.124   1.2482   45.623   1.1765 2.501202 1.715311 
1 1 1    8   15   27 o   26.016   1.3188  666.826   66.262  661.852   98.589  670.924   89.487   25.908   1.9603   26.124   1.7647 -0.2157841 2.637592 
1 1 1    8   15   28 o   21.418   1.5633  460.821   64.294  436.703   96.748  479.897   86.042   20.863   2.3889   21.973   2.0172 -1.110577 3.126692 
1 1 1    8   15   29 f   27.147   1.2846  720.405   66.491  791.935  106.273  674.391   85.236   28.192   1.9419   26.101   1.6823 2.091825 2.569263 
1 1 1    8   15   30 o   10.756   2.7069  122.202   71.851   41.454  139.145  151.562   83.903   9.7890   4.1693   11.723   3.4535 -1.933588 5.413846 
1 1 1    8   15   31 o   8.5465   2.6809   1.2039   87.283  -4.9500  137.662   5.3409  112.871   8.8162   3.9385   8.2768   3.6382 0.5394096 5.361708 
1 1 1    8   16    0 o  446.958   1.6578 193959.41  1438.10 193649.70  2015.59 194280.59  2052.47  446.596   2.3250  447.320   2.3637 -0.7242126 3.315526 
1 1 1    8   16    1 o  330.504   1.4535 106143.40  923.614 106736.60  1226.17 105365.30  1404.23  331.579   1.9050  329.429   2.1959 2.149933 2.907073 
1 1 1    8   16    2 o  117.114   0.9329 13262.19  206.972 13082.17  264.319 13547.54  332.767  116.092   1.1729  118.136   1.4511 -2.043800 1.865843 
1 1 1    8   16    3 f  179.521   1.1685 31335.26  403.320 31651.09  536.140 30923.55  612.148  180.567   1.5296  178.475   1.7669 2.092514 2.337009 
1 1 1    8   16    4 o  312.688   1.3487 94924.91  818.617 94908.46  1154.36 94941.54  1161.07  312.661   1.9020  312.715   1.9127 -0.5401611E-01 2.697376 
1 1 1    8   16    5 o   95.998   0.7517  8944.49  140.066  9153.39  199.113  8739.85  197.070   97.108   1.0563   94.889   1.0699 2.219055 1.503463 
1 1 1    8   16    6 o   32.316   0.6544  1027.32   39.907  1077.65   51.504  951.713   63.128   33.320   0.7963   31.312   1.0386 2.008034 1.308711 
1 1 1    8   16    7 o  219.975   1.1971 46979.71  511.179 47401.12  722.910 46558.29  722.922  220.962   1.6854  218.988   1.7006 1.973770 2.394290 
1 1 1    8   16    8 o  219.393   1.1933 46730.50  508.198 47056.34  718.779 46404.79  718.623  220.158   1.6819  218.628   1.6933 1.529861 2.386618 
1 1 1    8   16    9 o   70.675   0.6477  4847.34   88.845  4970.80  126.700  4727.90  124.618   71.561   0.9121   69.790   0.9199 1.770401 1.295395 
1 1 1    8   16   10 o  265.034   1.3184 68209.32  678.303 68448.57  960.848 67971.64  957.689  265.497   1.8644  264.570   1.8647 0.9266357 2.636873 
1 1 1    8   16   11 o  128.513   0.9816 16027.95  244.814 15675.95  341.725 16399.09  350.894  127.064   1.3854  129.962   1.3909 -2.897575 1.963175 
1 1 1    8   16   12 o  115.626   0.9277 12993.11  207.526 12833.49  305.292 13130.22  282.953  114.963   1.3680  116.289   1.2535 -1.325600 1.855434 
1 1 1    8   16   13 o   80.778   0.7198  6333.67  112.819  6369.99  162.318  6299.73  156.919   81.002   1.0323   80.555   1.0035 0.4473648 1.439674 
1 1 1    8   16   14 o   39.547   0.6855  1518.32   52.601  1522.68   75.565  1514.23   73.265   39.602   0.9830   39.493   0.9557 0.1096382 1.370968 
1 1 1    8   16   15 o   80.173   0.7177  6241.50  111.675  6233.97  159.372  6248.75  156.531   80.126   1.0246   80.221   1.0052 -0.9561920E-01 1.435374 
1 1 1    8   16   16 o   61.320   0.6840  3653.55   81.359  3562.68  116.245  3740.80  113.908   60.572   0.9886   62.069   0.9454 -1.496937 1.367915 
1 1 1    8   16   17 o  167.430   1.1822 27249.13  383.051 27224.72  564.033 27270.03  521.854  167.351   1.7362  167.509   1.6049 -0.1580200 2.364367 
1 1 1    8   16   18 o  110.905   0.9898 11948.65  212.853 12034.40  308.780 11871.01  293.815  111.282   1.4294  110.529   1.3694 0.7523270 1.979529 
1 1 1    8   16   19 o   51.897   0.8663  2577.43   84.134  2475.56  104.831  2761.78  141.031   50.484   1.0697   53.310   1.3628 -2.825737 1.732525 
1 1 1    8   16   20 o   16.261   1.7842  267.323   53.662  212.112   78.055  316.802   73.894   14.486   2.8773   18.035   2.1106 -3.549530 3.568399 
1 1 1    8   16   21 o   35.523   0.9167  1226.61   63.184  1229.17   90.840  1224.22   87.941   35.558   1.3161   35.488   1.2766 0.6992340E-01 1.833477 
1 1 1    8   16   22 o   91.482   0.8892  8135.28  157.842  8209.68  226.763  8065.36  219.842   91.886   1.2713   91.078   1.2435 0.8075790 1.778331 
1 1 1    8   16   23 o   18.212   1.7348  324.345   61.227  324.701   89.195  324.028   84.197   18.217   2.5223   18.206   2.3824 0.1103020E-01 3.469551 
1 1 1    8   16   24 o   20.428   1.5693  407.180   61.771  419.364   93.788  397.845   82.091   20.688   2.3355   20.168   2.0968 0.5192280 3.138625 
1 1 1    8   16   25 o   79.790   0.8449  6200.06  130.839  6196.38  186.865  6203.59  183.257   79.764   1.2069   79.816   1.1828 -0.5182648E-01 1.689818 
1 1 1    8   16   26 o   43.135   0.8837  1822.30   73.510  1740.36  108.975  1890.72   99.576   42.227   1.3294   44.042   1.1647 -1.814747 1.767479 
1 1 1    8   16   27 o   18.960   1.7325  356.200   63.542  381.517   94.817  335.562   85.609   19.559   2.4973   18.362   2.4019 1.197281 3.464922 
1 1 1    8   16   28 o   36.648   1.0155  1313.06   71.909  1390.29  108.041  1251.63   96.350   37.596   1.4804   35.700   1.3903 1.896149 2.030933 
1 1 1    8   16   29 o   12.162   2.5096  162.415   63.090  141.554   97.000  177.710   83.059   11.534   3.7667   12.790   3.3173 -1.256422 5.019227 
1 1 1    8   16   30 o   11.260   2.6003  139.009   65.902  115.586  100.246  156.837   87.456   10.633   3.8173   11.887   3.5320 -1.253778 5.200654 
1 1 1    8   16   31 o   21.886   2.2002  511.447   92.844  581.053  141.579  458.929  122.979   23.147   3.1509   20.625   3.0716 2.521915 4.400324 
1 1 1    8   17    0 o  171.405   1.0318 28511.30  343.237 28143.17  479.335 28898.70  491.721  170.270   1.4502  172.540   1.4681 -2.270096 2.063631 
1 1 1    8   17    1 o  264.408   1.3167 67834.33  672.376 67498.43  905.380 68247.41  1004.02  263.682   1.7688  265.135   1.9508 -1.452484 2.633309 
1 1 1    8   17    2 o  256.882   1.2368 64037.92  616.580 63047.12  860.200 65084.93  884.250  254.839   1.7389  258.924   1.7593 -4.085022 2.473618 
1 1 1    8   17    3 o  182.483   1.0667 32325.34  377.785 32276.09  529.055 32376.57  539.641  182.341   1.4947  182.624   1.5222 -0.2830048 2.133373 
1 1 1    8   17    4 o   29.502   0.7047  866.287   36.501  897.369   43.635  793.857   66.610   30.406   0.7393   28.598   1.1999 1.808390 1.409366 
1 1 1    8   17    5 o   28.980   0.5828  815.121   32.773  783.319   46.088  847.650   46.612   28.408   0.8358   29.551   0.8126 -1.143547 1.165648 
1 1 1    8   17    6 o   58.482   0.5757  3318.68   65.342  3428.00   93.256  3213.25   91.582   59.428   0.8084   57.536   0.8200 1.891563 1.151459 
1 1 1    8   17    7 o  103.830   0.7922 10462.84  159.652 10334.32  223.646 10596.40  227.980  103.180   1.1166  104.480   1.1241 -1.300072 1.584407 
1 1 1    8   17    8 f  124.242   0.9259 14994.00  223.161 14634.51  318.915 15338.91  312.381  122.782   1.3381  125.703   1.2802 -2.921143 1.851837 
1 1 1    8   17    9 o  247.994   1.2775 59705.65  614.883 59132.31  859.958 60305.36  879.524  246.777   1.7952  249.211   1.8181 -2.434372 2.555018 
1 1 1    8   17   10 o  233.249   1.1989 52790.88  540.873 53256.59  801.291 52401.10  733.074  234.189   1.7626  232.309   1.6256 1.880447 2.397796 
1 1 1    8   17   11 o  332.247   1.3703 107240.50  879.605 107060.50  1308.33 107389.00  1188.22  331.980   2.0302  332.514   1.8409 -0.5341797 2.740533 
1 1 1    8   17   12 o   68.185   0.6464  4515.24   85.519  4373.08  121.284  4655.81  120.602   67.117   0.9309   69.253   0.8971 -2.136162 1.292837 
1 1 1    8   17   13 o  183.078   1.1484 32548.16  408.086 32166.91  572.554 32941.82  581.800  181.989   1.6207  184.167   1.6274 -2.178528 2.296772 
1 1 1    8   17   14 f   31.719   0.7818  977.121   48.106  971.378   69.168  982.502   66.952   31.629   1.1266   31.810   1.0843 -0.1810989 1.563578 
1 1 1    8   17   15 o   98.320   0.8162  9387.51  155.767  9412.47  221.667  9363.15  218.935   98.449   1.1599   98.191   1.1486 0.2577209 1.632403 
1 1 1    8   17   16 o  108.577   0.8571 11451.09  180.598 11421.18  258.335 11479.68  252.572  108.437   1.2273  108.717   1.1968 -0.2793274 1.714214 
1 1 1    8   17   17 o   82.762   0.7900  6650.54  126.890  6771.92  181.561  6534.63  177.411   83.500   1.1201   82.024   1.1142 1.475693 1.579932 
1 1 1    8   17   18 o   96.590   0.8782  9063.36  164.646  9117.61  234.021  9010.19  231.686   96.876   1.2444   96.304   1.2393 0.5719986 1.756310 
1 1 1    8   17   19 o   92.717   0.8823  8350.12  158.758  8454.31  227.622  8251.43  221.536   93.279   1.2571   92.154   1.2384 1.124550 1.764630 
1 1 1    8   17   20 o   72.784   1.1057  5152.79  156.117  5123.68  224.453  5180.07  217.286   72.582   1.5931   72.986   1.5337 -0.4038010 2.211318 
1 1 1    8   17   21 o   15.151   2.0498  235.559   58.143  163.410   83.705  302.828   80.824   12.684   3.3498   17.618   2.3633 -4.934216 4.099570 
1 1 1    8   17   22 o  105.723   0.9857 10871.24  202.279 10689.26  284.817 11056.45  287.332  104.829   1.3996  106.616   1.3883 -1.787163 1.971418 
1 1 1    8   17   23 o   56.395   0.7939  3094.29   86.819  3029.45  124.877  3154.96  120.787   55.820   1.1525   56.969   1.0922 -1.149555 1.587817 
1 1 1    8   17   24 o   13.091   2.3384  178.126   59.885  145.357   88.270  206.070   81.514   11.996   3.5445   14.185   3.0509 -2.188551 4.676703 
1 1 1    8   17   25 o   23.611   1.4148  555.530   63.741  473.557   94.335  624.397   86.466   21.956   2.2134   25.267   1.7629 -3.310818 2.829662 
1 1 1    8   17   26 o   19.950   1.5906  393.305   61.371  384.529   90.153  400.883   83.780   19.727   2.3543   20.173   2.1395 -0.4463730 3.181195 
1 1 1    8   17   27 o   26.295   1.3042  679.516   66.222  703.366   99.561  660.594   88.683   26.690   1.9217   25.900   1.7639 0.7894764 2.608477 
1 1 1    8   17   28 o   10.790   2.2924  112.726   62.245  -8.5357   93.973  207.518   83.086   7.6298   3.3375   13.950   3.1435 -6.320285 4.584870 
1 1 1    8   17   29 o   9.1394   2.2236   43.863   62.042 -105.3834   93.112  163.035   83.203   6.0492   2.8806   12.230   3.3881 -6.180447 4.447179 
1 1 1    8   17   30 o   8.2832   2.4267   6.5233   67.831   96.999  102.502 -63.9658   90.475   10.133   3.8212   6.4337   2.9924 3.699065 4.853431 
1 1 1    8   17   31 o   12.962   3.0495  205.150   92.931  142.980  140.072  254.031  124.203   11.492   4.4339   14.431   4.1877 -2.939399 6.098913 
1 1 1    8   18    0 o  390.551   1.6126 148010.50  1221.63 145926.30  1689.89 150292.00  1768.04  387.675   2.2456  393.427   2.3151 -5.751678 3.225226 
1 1 1    8   18    1 o  206.197   1.1227 41275.00  449.347 41346.79  633.543 41202.32  637.420  206.377   1.5814  206.016   1.5939 0.3611755 2.245306 
1 1 1    8   18    2 o  310.647   1.3421 93683.89  809.258 93331.61  1135.32 94047.74  1153.83  310.054   1.8863  311.240   1.9098 -1.186157 2.684296 
1 1 1    8   18    3 f  189.785   1.1040 34965.62  406.718 34915.95  573.689 35015.81  576.694  189.650   1.5583  189.921   1.5643 -0.2708588 2.208004 
1 1 1    8   18    4 o   26.508   0.6023  680.349   30.951  640.668   42.590  724.763   45.058   25.691   0.8540   27.326   0.8495 -1.634188 1.204521 
1 1 1    8   18    5 o  134.322   1.0207 17479.42  260.901 17337.80  336.500 17692.87  413.114  133.644   1.2971  135.001   1.5764 -1.356995 2.041449 
1 1 1    8   18    6 o   33.782   0.6079  1107.47   39.852  1145.63   56.795  1070.46   55.932   34.355   0.8516   33.209   0.8676 1.146301 1.215771 
1 1 1    8   18    7 o   93.222   0.7656  8435.22  138.532  8486.21  197.010  8385.36  194.837   93.501   1.0854   92.944   1.0799 0.5572052 1.531139 
1 1 1    8   18    8 o   98.389   0.7782  9396.68  148.626  9480.93  210.939  9313.62  209.447   98.827   1.0995   97.951   1.1015 0.8759155 1.556399 
1 1 1    8   18    9 o  204.032   1.1825 40418.95  468.320 40703.03  664.026 40137.80  660.597  204.745   1.6707  203.318   1.6738 1.426727 2.364915 
1 1 1    8   18   10 o  159.525   0.9994 24701.40  308.918 24819.84  451.254 24596.93  423.790  159.884   1.4540  159.167   1.3716 0.7164307 1.998829 
1 1 1    8   18   11 o   97.040   0.8142  9141.44  153.322  9177.98  220.097  9107.00  213.703   97.228   1.1662   96.852   1.1367 0.3759613 1.628491 
1 1 1    8   18   12 o  178.221   1.0955 30869.51  378.383 30407.26  548.899 31288.07  522.318  176.946   1.5980  179.497   1.4990 -2.551010 2.191086 
1 1 1    8   18   13 o  115.516   0.8720 12937.77  195.197 13265.80  285.914 12651.39  267.143  116.884   1.2601  114.147   1.2056 2.736778 1.743979 
1 1 1    8   18   14 o  171.843   1.1087 28685.44  369.833 28413.48  519.996 28963.82  526.104  171.019   1.5664  172.667   1.5696 -1.647934 2.217476 
1 1 1    8   18   15 o  121.139   0.9328 14254.56  219.235 14230.23  315.088 14277.39  305.238  121.038   1.3411  121.241   1.2970 -0.2033997 1.865613 
1 1 1    8   18   16 o   16.558   1.4288  264.989   45.756  286.009   68.382  247.949   61.569   17.148   2.0543   15.968   1.9863 1.180635 2.857538 
1 1 1    8   18   17 o  114.835   0.9790 12817.04  218.126 12697.07  312.599 12930.88  304.515  114.309   1.4088  115.361   1.3598 -1.052284 1.958007 
1 1 1    8   18   18 o   91.412   0.8632  8117.70  153.169  8211.29  217.260  8025.21  215.974   91.936   1.2174   90.888   1.2241 1.048180 1.726431 
1 1 1    8   18   19 o   41.133   0.8137  1644.74   64.890  1621.14   93.747  1666.44   89.910   40.849   1.1823   41.417   1.1183 -0.5688515 1.627385 
1 1 1    8   18   20 o   95.807   0.9087  8920.25  168.963  8983.07  241.613  8860.13  236.372   96.136   1.2947   95.478   1.2753 0.6581345 1.817354 
1 1 1    8   18   21 o  137.445   1.2228 18387.97  326.257 18307.67  461.533 18468.18  461.261  137.144   1.7336  137.746   1.7251 -0.6018066 2.445674 
1 1 1    8   18   22 o   36.010   1.1162  1199.64   72.476  1430.58  134.090  1104.32   86.144   38.322   1.8025   33.698   1.3169 4.623768 2.232333 
1 1 1    8   18   23 o   65.613   0.8004  4179.19  101.779  4295.53  149.054  4077.55  139.314   66.465   1.1553   64.762   1.1082 1.703720 1.600846 
1 1 1    8   18   24 o   29.322   1.1381  841.788   64.308  812.032   95.974  866.034   86.633   28.840   1.7143   29.804   1.4974 -0.9641781 2.276211 
1 1 1    8   18   25 o   57.272   0.7949  3193.69   88.271  3203.58  127.966  3184.71  121.920   57.352   1.1494   57.192   1.0982 0.1606026 1.589711 
1 1 1    8   18   26 o   32.483   1.0556  1030.94   66.316  1042.72   98.332  1021.12   89.816   32.643   1.5518   32.323   1.4315 0.3202744 2.111188 
1 1 1    8   18   27 o   21.971   1.5132  477.208   64.300  501.076   95.933  457.739   86.643   22.454   2.2009   21.489   2.0771 0.9654465 3.026310 
1 1 1    8   18   28 o   23.092   1.4498  537.879   64.001  479.312   95.715  585.242   86.074   21.879   2.2537   24.305   1.8244 -2.425930 2.899543 
1 1 1    8   18   29 f   9.2986   2.4929   62.424   64.220  121.994   95.833   13.870   86.520   10.865   3.7459   7.7327   3.2904 3.131933 4.985876 
1 1 1    8   18   30 o   16.142   2.2893  293.722   69.767  194.889  101.720  381.515   95.870   13.067   3.7892   19.217   2.5700 -6.150302 4.578504 
1 1 1    8   18   31 o   30.153   1.7916  940.445  104.022  1042.25  159.910  865.764  136.961   31.477   2.6171   28.829   2.4474 2.648388 3.583128 
1 1 1    8   19    0 o  139.538   0.9317 18900.67  252.359 18941.93  357.254 18859.58  356.528  139.690   1.3175  139.386   1.3177 0.3040161 1.863342 
1 1 1    8   19    1 o  136.401   0.9390 18058.53  248.614 17824.24  349.501 18298.51  353.725  135.506   1.3287  137.297   1.3272 -1.790955 1.878009 
1 1 1    8   19    2 o  273.003   1.2827 72339.55  679.634 71446.33  950.539 73273.78  972.120  271.279   1.8050  274.726   1.8229 -3.446777 2.565352 
1 1 1    8   19    3 o  137.322   0.9356 18306.44  249.365 18394.06  350.652 18216.79  354.694  137.655   1.3123  136.990   1.3338 0.6652374 1.871133 
1 1 1    8   19    4 o  192.162   1.1125 35847.28  414.967 35820.21  585.520 35874.60  588.193  192.089   1.5703  192.234   1.5762 -0.1456451 2.224926 
1 1 1    8   19    5 o   47.678   0.5464  2206.76   50.543  2216.58   70.402  2196.30   72.607   47.787   0.7589   47.568   0.7863 0.2191658 1.092834 
1 1 1    8   19    6 o  250.190   1.2621 60772.38  612.938 61068.93  866.921 60475.96  866.730  250.800   1.7807  249.579   1.7890 1.220917 2.524154 
1 1 1    8   19    7 o   96.126   0.7679  8969.44  143.279  8990.10  203.058  8948.94  202.199   96.236   1.0870   96.016   1.0849 0.2205276 1.535709 
1 1 1    8   19    8 o  148.425   0.9892 21382.42  284.979 21043.00  399.345 21734.63  406.800  147.225   1.3973  149.625   1.4006 -2.399826 1.978437 
1 1 1    8   19    9 o  105.647   0.8069 10827.18  165.423 10537.04  230.161 11137.20  237.919  104.184   1.1381  107.110   1.1443 -2.925842 1.613867 
1 1 1    8   19   10 o  130.306   0.9455 16485.88  239.156 16588.42  338.544 16383.74  337.893  130.711   1.3343  129.902   1.3400 0.8091431 1.890976 
1 1 1    8   19   11 o  162.984   1.1122 25790.67  351.062 25898.50  514.952 25697.04  479.856  163.299   1.6245  162.669   1.5196 0.6300201 2.224473 
1 1 1    8   19   12 f  109.982   0.8673 11749.69  185.076 11549.54  264.664 11941.23  258.906  109.065   1.2501  110.900   1.2027 -1.835518 1.734690 
1 1 1    8   19   13 o   84.990   0.7512  7013.42  123.930  6986.09  175.606  7040.52  174.924   84.825   1.0665   85.155   1.0582 -0.3300629 1.502387 
1 1 1    8   19   14 o  124.061   1.0060 14940.01  241.762 15110.05  354.445 14792.07  330.604  124.718   1.4640  123.404   1.3801 1.313332 2.011997 
1 1 1    8   19   15 o   97.473   0.8312  9216.36  157.119  9456.49  228.443  9000.81  216.441   98.675   1.1926   96.270   1.1582 2.405052 1.662461 
1 1 1    8   19   16 o   67.342   0.6845  4403.80   89.474  4319.23  126.390  4488.75  126.680   66.694   0.9763   67.990   0.9598 -1.296700 1.369074 
1 1 1    8   19   17 o  104.220   0.8605 10552.24  174.038 10534.60  249.047 10569.08  243.308  104.134   1.2320  104.306   1.2017 -0.1726151 1.721017 
1 1 1    8   19   18 o  158.882   1.3343 24543.40  410.038 24721.08  607.253 24394.50  555.905  159.395   1.9626  158.368   1.8083 1.026520 2.668646 
1 1 1    8   19   19 o   87.986   0.8561  7521.65  146.193  7542.60  208.775  7501.49  204.777   88.106   1.2207   87.867   1.2006 0.2388535 1.712166 
1 1 1    8   19   20 o   25.053   1.2079  608.766   58.635  661.659   85.570  561.949   80.505   26.076   1.6905   24.029   1.7259 2.046278 2.415896 
1 1 1    8   19   21 o   91.241   0.8922  8087.36  157.891  8233.42  228.870  7954.72  218.102   92.024   1.2812   90.458   1.2421 1.566254 1.784445 
1 1 1    8   19   22 o   64.615   0.9613  4138.67  112.021  3846.29  195.693  4281.17  136.618   62.858   1.6038   66.371   1.0604 -3.513760 1.922657 
1 1 1    8   19   23 o   81.769   0.8496  6503.21  134.820  6499.18  192.895  6507.06  188.508   81.742   1.2157   81.796   1.1872 -0.5362701E-01 1.699214 
1 1 1    8   19   24 f   36.162   0.9779  1271.50   68.201  1298.63  102.942  1250.28   91.050   36.498   1.4530   35.827   1.3092 0.6711159 1.955802 
1 1 1    8   19   25 o   23.435   1.3720  540.061   62.223  512.934   90.038  564.860   86.089   22.858   2.0292   24.011   1.8470 -1.152397 2.743905 
1 1 1    8   19   26 o   17.432   1.9226  310.452   62.632  270.955   91.923  344.675   85.567   16.204   3.0340   18.660   2.3623 -2.455811 3.845182 
1 1 1    8   19   27 o   16.016   2.1435  289.094   63.506  137.171   93.729  418.029   86.347   11.527   3.6975   20.505   2.1693 -8.977408 4.286922 
1 1 1    8   19   28 o   11.874   2.4729  151.759   60.801  137.197   93.383  162.474   80.108   11.442   3.6929   12.306   3.2900 -0.8640318 4.945852 
1 1 1    8   19   29 o   22.484   1.5513  512.060   67.357  459.411   96.008  563.094   94.524   21.290   2.3231   23.679   2.0564 -2.389242 3.102572 
1 1 1    8   19   30 o   13.527   2.8292  212.830   79.122  214.910  104.581  210.045  120.997   13.666   3.8030   13.389   4.1899 0.2771149 5.658488 
1 1 1    8   20    0 o  132.137   0.9029 16948.82  231.601 16907.81  327.679 16989.77  327.388  131.977   1.2790  132.296   1.2748 -0.3195496 1.805859 
1 1 1    8   20    1 o   85.508   0.8849  7097.31  146.874  7056.88  207.313  7138.04  208.113   85.263   1.2526   85.752   1.2502 -0.4889221 1.769741 
1 1 1    8   20    2 o  249.783   1.2389 60571.52  600.694 60581.22  845.851 60561.66  853.216  249.804   1.7443  249.763   1.7598 0.4087830E-01 2.477831 
1 1 1    8   20    3 o  257.863   1.2623 64556.48  631.846 64824.23  891.056 64285.71  896.097  258.401   1.7764  257.325   1.7939 1.076263 2.524656 
1 1 1    8   20    4 o   40.564   0.5395  1596.84   42.471  1582.93   59.464  1611.32   60.680   40.383   0.7586   40.744   0.7672 -0.3605080 1.078904 
1 1 1    8   20    5 o  146.676   0.9766 20882.81  278.024 20745.27  389.840 21025.18  396.619  146.185   1.3738  147.168   1.3883 -0.9826508 1.953144 
1 1 1    8   20    6 o  249.229   1.2668 60294.13  612.789 59650.21  857.616 60965.81  875.903  247.870   1.7824  250.587   1.8007 -2.717728 2.533636 
1 1 1    8   20    7 o   73.990   0.6666  5312.30   95.725  5204.24  133.982  5424.98  136.814   73.221   0.9426   74.758   0.9428 -1.536781 1.333184 
1 1 1    8   20    8 o   33.630   0.6794  1097.88   44.333  1057.95   62.433  1138.49   62.964   33.013   0.9742   34.247   0.9471 -1.233669 1.358735 
1 1 1    8   20    9 o  213.196   1.2149 44137.31  502.757 44646.07  712.038 43631.48  709.977  214.422   1.7107  211.971   1.7255 2.451294 2.429735 
1 1 1    8   20   10 o   17.991   1.2143  314.665   42.335  336.613   59.979  292.874   59.764   18.617   1.6596   17.365   1.7730 1.252367 2.428552 
1 1 1    8   20   11 o  105.437   0.8908 10797.56  182.251 10626.00  259.907 10963.51  255.629  104.612   1.2799  106.262   1.2393 -1.649712 1.781543 
1 1 1    8   20   12 o   19.538   1.1371  375.625   42.257  343.477   65.069  399.071   55.569   18.804   1.7826   20.272   1.4121 -1.467777 2.274143 
1 1 1    8   20   13 o  224.558   1.3233 49024.07  574.875 48719.99  847.439 49283.29  782.437  223.901   1.9498  225.214   1.7897 -1.313492 2.646662 
1 1 1    8   20   14 o  104.713   0.8339 10651.85  169.456 10430.79  240.812 10868.68  238.499  103.636   1.1970  105.791   1.1614 -2.154823 1.667833 
1 1 1    8   20   15 o  167.965   1.0862 27436.11  353.729 26868.23  509.656 27963.93  491.343  166.282   1.5789  169.649   1.4920 -3.367386 2.172353 
1 1 1    8   20   16 f   36.030   0.7510  1259.78   52.495  1232.77   72.824  1289.00   75.740   35.629   1.0530   36.432   1.0710 -0.8031731 1.501908 
1 1 1    8   20   17 o   84.664   0.7736  6955.51  126.972  7089.78  184.980  6835.89  174.601   85.435   1.1154   83.893   1.0721 1.541229 1.547126 
1 1 1    8   20   18 o   52.873   0.8763  2750.87   84.120  2616.33  146.043  2817.67  102.905   51.883   1.4501   53.862   0.9842 -1.979717 1.752542 
1 1 1    8   20   19 f   51.661   0.7493  2592.74   74.969  2590.19  109.816  2594.97  102.597   51.636   1.0956   51.686   1.0226 -0.5067825E-01 1.498666 
1 1 1    8   20   20 o  165.157   1.4452 26578.01  463.315 26596.76  656.696 26559.43  653.766  165.214   2.0476  165.100   2.0399 0.1135712 2.890334 
1 1 1    8   20   21 o   89.056   0.8709  7711.60  150.537  7622.33  213.668  7799.59  212.124   88.543   1.2431   89.569   1.2200 -1.026421 1.741798 
1 1 1    8   20   22 o   62.724   0.7917  3819.66   96.138  3886.18  141.753  3763.00  130.822   63.226   1.1550   62.222   1.0831 1.003960 1.583391 
1 1 1    8   20   23 o   26.704   1.2668  688.460   65.269  802.974   97.645  595.970   87.754   28.694   1.7531   24.715   1.8291 3.978998 2.533566 
1 1 1    8   20   24 o   68.422   0.7939  4555.96  105.372  4566.52  151.849  4546.16  146.342   68.495   1.1421   68.348   1.1030 0.1463013 1.587737 
1 1 1    8   20   25 o   7.5301   2.2138  -9.7191   58.930 -91.3520   86.053   62.374   80.868   6.0284   2.8404   9.0317   3.3965 -3.003313 4.427654 
1 1 1    8   20   26 o   40.979   0.9039  1642.56   71.492  1615.24  106.494  1664.97   96.459   40.654   1.3495   41.304   1.2031 -0.6502342 1.807874 
1 1 1    8   20   27 o   59.174   0.8111  3421.61   92.913  3443.19  136.759  3403.12  126.624   59.332   1.1874   59.016   1.1053 0.3159981 1.622226 
1 1 1    8   20   28 o   10.113   2.4632  100.712   60.692   54.411   94.733  132.948   79.044   9.0342   3.5978   11.191   3.3653 -2.156903 4.926418 
1 1 1    8   20   29 o   16.758   2.1853  301.299   68.320  407.822   99.059  204.660   94.351   19.951   2.5577   13.565   3.5440 6.385897 4.370587 
1 1 1    8   20   30 o   38.761   1.4437  1516.13  107.131  1559.20  166.635  1485.79  139.867   39.101   2.1954   38.421   1.8753 0.6801453 2.887316 
1 1 1    8   21    0 o   89.942   0.9122  7852.86  159.254  7884.37  224.702  7821.06  225.741   90.123   1.2844   89.761   1.2956 0.3626709 1.824338 
1 1 1    8   21    1 o  222.658   1.1965 48127.98  517.109 47946.00  727.276 48314.07  735.397  222.233   1.6859  223.084   1.6982 -0.8509979 2.392917 
1 1 1    8   21    2 o  310.309   1.3554 93449.87  816.134 92146.34  1136.04 94840.16  1173.23  308.074   1.8996  312.543   1.9338 -4.468933 2.710759 
1 1 1    8   21    3 o   68.139   0.6166  4506.10   81.550  4436.85  114.633  4577.05  116.037   67.609   0.8735   68.669   0.8705 -1.059845 1.233169 
1 1 1    8   21    4 o  245.438   1.2536 58483.46  597.227 58279.70  839.853 58691.91  849.442  245.006   1.7659  245.870   1.7798 -0.8643494 2.507173 
1 1 1    8   21    5 o  152.511   0.9951 22579.11  294.590 22500.19  415.086 22659.20  418.156  152.242   1.4046  152.779   1.4100 -0.5368805 1.990168 
1 1 1    8   21    6 o  225.778   1.2121 49491.87  531.191 49438.70  747.579 49546.09  754.909  225.656   1.7067  225.900   1.7215 -0.2443237 2.424109 
1 1 1    8   21    7 o  118.888   0.8816 13721.38  203.460 13854.42  288.126 13589.06  287.347  119.463   1.2425  118.313   1.2511 1.149742 1.763263 
1 1 1    8   21    8 f   30.229   0.8084  873.393   45.732  837.951   56.966  937.639   76.697   29.381   0.9988   31.078   1.2713 -1.697126 1.616780 
1 1 1    8   21    9 o  114.558   0.8683 12734.61  193.042 12427.36  269.422 13058.76  276.731  113.138   1.2268  115.977   1.2292 -2.838440 1.736620 
1 1 1    8   21   10 o  118.862   0.8838 13708.53  203.850 13358.36  283.838 14081.54  292.952  117.295   1.2466  120.428   1.2532 -3.132935 1.767595 
1 1 1    8   21   11 o   59.306   0.6300  3415.70   72.503  3313.88  102.804  3516.47  102.267   58.426   0.9064   60.186   0.8753 -1.759869 1.260091 
1 1 1    8   21   12 o  227.636   1.2199 50340.75  537.500 50274.89  790.525 50397.39  733.010  227.491   1.7901  227.782   1.6578 -0.2914886 2.439838 
1 1 1    8   21   13 o   55.920   0.7696  3073.49   79.773  2908.60  132.600  3167.02   99.867   54.726   1.2482   57.114   0.9008 -2.387383 1.539276 
1 1 1    8   21   14 o   57.219   0.6392  3178.35   70.991  3234.58  101.061  3123.57   99.745   57.719   0.9020   56.719   0.9059 0.9991646 1.278393 
1 1 1    8   21   15 o   69.971   0.7077  4755.25   96.090  4717.68  137.474  4791.14  134.364   69.701   1.0161   70.242   0.9854 -0.5416260 1.415421 
1 1 1    8   21   16 o   44.153   0.7109  1894.45   60.882  1851.84   87.143  1935.09   85.094   43.667   1.0280   44.639   0.9820 -0.9719429 1.421705 
1 1 1    8   21   17 o   33.081   0.8527  1065.41   54.638  1016.51   78.731  1110.85   75.888   32.346   1.2539   33.817   1.1560 -1.470154 1.705478 
1 1 1    8   21   18 o  121.339   1.0860 14312.24  255.760 14399.12  364.870 14228.31  358.609  121.700   1.5445  120.979   1.5270 0.7217636 2.171918 
1 1 1    8   21   19 o  100.691   0.9408  9854.51  183.865  9844.00  261.900  9864.73  258.190  100.637   1.3406  100.745   1.3202 -0.1080780 1.881577 
1 1 1    8   21   20 o   41.482   0.8411  1665.87   67.520  1751.43  100.346  1595.08   91.274   42.450   1.2177   40.514   1.1606 1.936531 1.682212 
1 1 1    8   21   21 o   78.827   0.8141  6041.35  124.527  5986.02  178.166  6094.21  174.119   78.472   1.1696   79.182   1.1328 -0.7097321 1.628262 
1 1 1    8   21   22 o   95.755   0.9285  8919.98  172.561  8851.52  245.874  8986.43  242.242   95.391   1.3278   96.120   1.2983 -0.7289124 1.857060 
1 1 1    8   21   23 o   74.850   0.8258  5449.98  119.948  5472.36  172.195  5428.87  167.179   74.998   1.1828   74.703   1.1529 0.2941055 1.651691 
1 1 1    8   21   24 o   52.415   0.8002  2679.86   81.036  2613.41  119.736  2736.02  110.077   51.806   1.1907   53.024   1.0695 -1.218102 1.600431 
1 1 1    8   21   25 o   20.119   1.6348  416.194   61.006  296.440   90.280  516.828   82.760   17.284   2.6907   22.954   1.8574 -5.669477 3.269536 
1 1 1    8   21   26 o   41.637   0.8926  1696.52   71.820  1662.92  106.180  1724.86   97.511   41.242   1.3263   42.032   1.1951 -0.7896576 1.785298 
1 1 1    8   21   27 o   22.483   1.4811  512.568   63.172  446.620   96.090  562.767   83.835   21.115   2.3444   23.852   1.8107 -2.737270 2.962177 
1 1 1    8   21   28 o   10.863   2.3930  101.865   60.029  209.639   96.046   32.777   76.899   13.849   3.5548   7.8769   3.2045 5.971643 4.785966 
1 1 1    8   21   29 f   36.149   1.0994  1296.33   76.896  1281.78  112.989  1308.88  104.951   35.928   1.6201   36.371   1.4865 -0.4427261 2.198729 
1 1 1    8   21   30 o   18.805   2.6469  395.492   91.493  454.689  147.226  358.245  116.782   19.774   3.9734   17.836   3.4980 1.938202 5.293769 
1 1 1    8   22    0 o  234.529   1.2189 53398.53  554.917 53250.00  781.349 53549.69  788.239  234.200   1.7187  234.858   1.7290 -0.6577301 2.437862 
1 1 1    8   22    1 o  197.259   1.1391 37775.37  436.181 37767.64  615.327 37783.18  618.390  197.239   1.6071  197.279   1.6148 -0.4034424E-01 2.278244 
1 1 1    8   22    2 o  111.877   0.8419 12150.26  182.841 12206.65  258.195 12093.53  258.960  112.138   1.1861  111.617   1.1952 0.5209198 1.683860 
1 1 1    8   22    3 o  184.977   1.1057 33217.01  397.020 33103.85  559.418 33331.85  563.547  184.659   1.5606  185.294   1.5668 -0.6346436 2.211409 
1 1 1    8   22    4 o  146.562   0.9796 20851.49  278.663 20803.71  390.543 20901.03  397.734  146.391   1.3743  146.733   1.3964 -0.3415985 1.959238 
1 1 1    8   22    5 o  294.825   1.3507 84397.52  773.024 85075.85  1094.32 83721.90  1092.13  296.008   1.9045  293.643   1.9160 2.365540 2.701475 
1 1 1    8   22    6 o   77.020   0.6622  5756.67   98.984  5644.50  138.650  5873.27  141.359   76.255   0.9367   77.785   0.9362 -1.529968 1.324301 
1 1 1    8   22    7 o  161.630   1.0469 25363.57  328.466 25331.72  464.000 25395.56  465.044  161.528   1.4798  161.732   1.4813 -0.2033691 2.093793 
1 1 1    8   22    8 o  174.249   1.0965 29477.04  370.853 29170.95  519.926 29794.05  529.125  173.329   1.5453  175.170   1.5561 -1.840881 2.193008 
1 1 1    8   22    9 o  207.239   1.1976 41706.25  481.758 41321.20  676.403 42102.69  686.321  206.269   1.6893  208.210   1.6981 -1.940735 2.395255 
1 1 1    8   22   10 o  308.286   1.4209 92334.95  850.279 92394.59  1198.20 92274.47  1206.80  308.388   2.0016  308.185   2.0172 0.2028809 2.841740 
1 1 1    8   22   11 f  112.936   0.8874 12387.04  194.462 12281.69  278.511 12487.26  271.640  112.467   1.2757  113.406   1.2339 -0.9387665 1.774837 
1 1 1    8   22   12 o  238.063   1.3784 55123.38  634.013 54544.07  940.756 55605.45  858.181  236.902   2.0457  239.225   1.8480 -2.323013 2.756832 
1 1 1    8   22   13 o  143.533   1.0595 20016.10  294.777 19972.18  428.070 20055.70  406.519  143.379   1.5380  143.686   1.4575 -0.3065033 2.118905 
1 1 1    8   22   14 o   33.072   0.7358  1051.53   46.779  1135.62   72.344  991.099   61.324   34.197   1.0898   31.948   0.9888 2.248531 1.471553 
1 1 1    8   22   15 o  121.366   0.9091 14307.58  214.147 14331.24  305.684 14284.77  300.092  121.463   1.2965  121.268   1.2748 0.1954498 1.818230 
1 1 1    8   22   16 o   34.242   0.7707  1135.04   51.142  1222.35   74.769  1058.27   70.107   35.475   1.0857   33.008   1.0941 2.466976 1.541417 
1 1 1    8   22   17 o  142.569   1.1472 19777.10  317.183 19294.07  454.912 20234.07  442.476  140.868   1.6636  144.271   1.5800 -3.403183 2.294313 
1 1 1    8   22   18 f   82.177   0.8165  6560.61  130.232  6571.62  185.829  6549.98  182.567   82.245   1.1640   82.110   1.1454 0.1342239 1.633024 
1 1 1    8   22   19 o   80.126   0.8183  6239.60  127.203  6202.68  182.729  6274.31  177.183   79.894   1.1782   80.358   1.1359 -0.4633713 1.636581 
1 1 1    8   22   20 o   66.079   0.7665  4244.55   98.244  4192.16  141.299  4293.58  136.691   65.683   1.1082   66.476   1.0593 -0.7930908 1.533042 
1 1 1    8   22   21 o   82.256   0.8400  6575.91  134.065  6623.21  192.995  6531.79  186.373   82.540   1.2045   81.972   1.1713 0.5680542 1.680088 
1 1 1    8   22   22 o   82.052   0.8521  6545.85  135.651  6586.42  195.166  6507.92  188.678   82.296   1.2217   81.809   1.1881 0.4875717 1.704153 
1 1 1    8   22   23 o   23.680   1.3865  544.909   63.507  587.592   94.837  510.208   85.511   24.513   1.9930   22.848   1.9280 1.665678 2.772990 
1 1 1    8   22   24 o   17.850   1.6939  308.379   58.178  356.184   89.766  273.755   76.394   19.019   2.4314   16.681   2.3593 2.338369 3.387887 
1 1 1    8   22   25 o   53.682   0.8065  2811.27   83.963  2715.95  119.918  2902.94  117.599   52.782   1.1704   54.581   1.1099 -1.798794 1.612995 
1 1 1    8   22   26 o   39.261   0.9256  1497.60   70.201  1607.17  105.782  1411.37   93.845   40.527   1.3446   37.995   1.2724 2.532730 1.851204 
1 1 1    8   22   27 o   27.413   1.2282  731.912   64.596  813.751  101.035  675.331   84.008   28.666   1.8156   26.159   1.6544 2.507534 2.456333 
1 1 1    8   22   28 o   10.772   2.4939  121.530   62.568   71.224   96.344  158.221   82.281   9.4650   3.6702   12.078   3.3775 -2.613094 4.987775 
1 1 1    8   22   29 o   32.822   1.1838  1067.41   75.247  1166.42  110.570  982.002  102.696   34.238   1.6636   31.405   1.6845 2.832830 2.367572 
1 1 1    8   22   30 o   15.445   2.6574  303.595   91.115  100.726  145.523  434.408  116.856   10.749   4.3947   20.140   2.9890 -9.390601 5.314810 
1 1 1    8   23    0 o  418.636   1.5795 170176.91  1283.49 169781.50  1801.54 170584.50  1829.03  418.143   2.2195  419.128   2.2481 -0.9850464 3.159098 
1 1 1    8   23    1 o  100.448   0.8754  9793.74  165.844  9791.53  210.895  9797.31  268.468  100.435   1.0817  100.461   1.3767 -0.2609253E-01 1.750816 
1 1 1    8   23    2 o   89.122   0.7297  7709.60  126.234  7855.04  179.090  7565.99  177.958   89.957   1.0256   88.286   1.0384 1.670792 1.459477 
1 1 1    8   23    3 o   98.399   0.7792  9398.67  148.839  9389.49  209.884  9407.95  211.103   98.351   1.0993   98.448   1.1047 -0.9655762E-01 1.558465 
1 1 1    8   23    4 o  190.998   1.1485 35415.99  425.826 35109.65  600.552 35725.73  603.879  190.167   1.6269  191.829   1.6217 -1.661362 2.297079 
1 1 1    8   23    5 o  121.962   0.8889 14437.88  210.431 14311.17  294.912 14569.30  300.350  121.416   1.2513  122.506   1.2630 -1.089890 1.777874 
1 1 1    8   23    6 o   99.338   0.7930  9579.46  152.912  9684.46  216.569  9475.07  215.933   99.881   1.1170   98.795   1.1259 1.085815 1.586002 
1 1 1    8   23    7 o  130.290   0.9484 16481.62  239.849 16625.15  338.590 16337.05  339.810  130.859   1.3329  129.720   1.3495 1.139236 1.896772 
1 1 1    8   23    8 o  192.714   1.1692 36065.91  437.316 36072.83  613.240 36058.75  623.813  192.734   1.6391  192.694   1.6677 0.3942871E-01 2.338361 
1 1 1    8   23    9 o  149.720   1.0290 21767.07  299.056 22060.99  424.074 21476.31  421.792  150.726   1.4494  148.714   1.4611 2.011337 2.058053 
1 1 1    8   23   10 o  154.440   1.0304 23155.83  308.853 22882.15  431.666 23442.88  442.090  153.505   1.4486  155.374   1.4658 -1.868561 2.060835 
1 1 1    8   23   11 o  163.915   1.0826 26087.28  344.410 25630.74  482.318 26562.26  491.963  162.452   1.5295  165.378   1.5325 -2.925522 2.165121 
1 1 1    8   23   12 o  165.971   1.1492 26730.38  369.390 27204.72  543.047 26321.90  503.935  167.335   1.6718  164.607   1.5771 2.728424 2.298303 
1 1 1    8   23   13 o  109.113   0.8894 11555.88  188.170 11713.58  273.276 11413.71  259.484  109.819   1.2819  108.407   1.2331 1.411949 1.778704 
1 1 1    8   23   14 o   86.406   0.7494  7250.81  125.677  7221.31  179.053  7279.44  176.445   86.233   1.0697   86.580   1.0498 -0.3472443 1.498782 
1 1 1    8   23   15 o   75.138   0.7185  5482.89  104.793  5458.45  149.117  5506.74  147.300   74.972   1.0246   75.304   1.0077 -0.3316116 1.437099 
1 1 1    8   23   16 o  129.165   1.0620 16218.01  266.015 16279.02  368.352 16151.51  384.577  129.423   1.4662  128.907   1.5369 0.5162201 2.124076 
1 1 1    8   23   17 o  137.006   1.1160 18251.29  296.437 18190.66  429.649 18306.37  409.526  136.783   1.6181  137.229   1.5373 -0.4458466 2.231996 
1 1 1    8   23   18 o   78.173   0.7955  5936.50  120.697  5959.72  172.074  5914.01  169.341   78.323   1.1318   78.023   1.1181 0.3000107 1.590927 
1 1 1    8   23   19 o  120.753   1.0894 14183.04  255.348 14212.35  362.565 14154.19  359.685  120.876   1.5452  120.630   1.5360 0.2460327 2.178753 
1 1 1    8   23   20 o   45.357   0.7914  1994.77   69.520  2064.00  102.483  1935.76   94.619   46.083   1.1456   44.631   1.0921 1.451828 1.582785 
1 1 1    8   23   21 o   65.674   0.7858  4194.31  100.123  4097.10  142.801  4288.31  140.421   64.924   1.1331   66.425   1.0890 -1.501389 1.571576 
1 1 1    8   23   22 o   65.980   0.8074  4231.36  103.309  4270.04  149.868  4196.34  142.605   66.265   1.1651   65.695   1.1182 0.5694504 1.614899 
1 1 1    8   23   23 o   87.931   0.8857  7528.64  151.161  7508.69  215.317  7548.03  212.262   87.813   1.2631   88.048   1.2419 -0.2344894 1.771404 
1 1 1    8   23   24 o   31.296   1.0583  966.740   63.309  886.263   95.942  1028.81   84.256   30.111   1.6414   32.481   1.3363 -2.369818 2.116580 
1 1 1    8   23   25 o   29.381   1.1634  854.518   65.623  739.412   95.239  958.569   90.550   27.453   1.7871   31.309   1.4899 -3.855883 2.326716 
1 1 1    8   23   26 o   10.471   2.5203  107.329   61.452   92.847   92.393  118.818   82.294   10.134   3.6614   10.808   3.4644 -0.6739731 5.040627 
1 1 1    8   23   27 f   30.530   1.1172  914.079   65.868  963.275   99.257  875.365   88.051   31.244   1.6366   29.817   1.5213 1.426458 2.234412 
1 1 1    8   23   28 o   31.907   1.1258  1010.24   69.327  977.733  102.710  1037.44   93.960   31.398   1.6852   32.417   1.4931 -1.019077 2.251513 
1 1 1    8   23   29 o   32.895   1.1890  1089.10   75.104  956.686  109.552  1206.51  103.161   30.913   1.8256   34.877   1.5237 -3.964048 2.377956 
1 1 1    8   23   30 o   21.717   2.3779  536.455   90.190  480.151  153.411  566.193  111.492   20.118   4.0681   23.315   2.4634 -3.197004 4.755788 
1 1 1    8   24    0 o  161.403   1.1379 25276.08  352.433 25387.72  541.550 25194.06  464.179  161.709   1.7252  161.097   1.4843 0.6121674 2.275868 
1 1 1    8   24    1 o  196.968   1.1308 37657.54  432.309 37235.04  605.718 38096.21  617.198  195.843   1.5933  198.094   1.6050 -2.251434 2.261590 
1 1 1    8   24    2 o  377.181   1.4660 138129.91  1073.31 137567.70  1506.53 138709.41  1529.50  376.402   2.0619  377.959   2.0847 -1.557007 2.932096 
1 1 1    8   24    3 o  281.716   1.4215 76999.87  770.374 76596.98  1021.79 77530.52  1172.68  280.870   1.8741  282.561   2.1380 -1.690216 2.843086 
1 1 1    8   24    4 o   62.022   0.6014  3730.56   72.364  3558.11  100.789  3914.04  103.960   60.544   0.8576   63.500   0.8434 -2.956192 1.202806 
1 1 1    8   24    5 o  185.554   1.1210 33426.21  403.762 33165.06  567.603 33693.71  574.469  184.821   1.5821  186.288   1.5886 -1.466934 2.242025 
1 1 1    8   24    6 o  273.448   1.3332 72599.64  707.568 71925.46  990.042 73303.52  1011.61  272.151   1.8740  274.744   1.8968 -2.593018 2.666427 
1 1 1    8   24    7 o   32.583   0.6888  1030.59   43.563  1023.56   61.541  1037.66   61.673   32.471   0.9763   32.694   0.9718 -0.2229843 1.377510 
1 1 1    8   24    8 o   66.637   0.6439  4302.96   83.208  4498.39  120.868  4126.90  114.722   68.072   0.9147   65.201   0.9064 2.871277 1.287729 
1 1 1    8   24    9 o  188.060   1.1512 34346.65  420.238 34133.58  591.699 34563.52  596.950  187.472   1.6259  188.648   1.6301 -1.176697 2.302370 
1 1 1    8   24   10 o  151.133   1.0389 22176.57  304.743 21890.25  426.954 22473.93  435.105  150.139   1.4649  152.127   1.4734 -1.988007 2.077737 
1 1 1    8   24   11 f   60.222   0.6464  3522.74   75.525  3452.00  107.932  3590.61  105.719   59.629   0.9324   60.815   0.8955 -1.185947 1.292833 
1 1 1    8   24   12 o   29.325   0.7974  833.602   45.336  864.765   66.083  805.892   62.314   29.841   1.1408   28.808   1.1143 1.033363 1.594702 
1 1 1    8   24   13 o   93.120   0.8868  8460.19  156.472  8603.03  201.448  8242.93  248.438   94.122   1.1026   92.117   1.3894 2.005287 1.773684 
1 1 1    8   24   14 o   94.422   0.8029  8663.78  147.045  8514.28  211.126  8804.61  204.918   93.629   1.1616   95.215   1.1087 -1.585793 1.605785 
1 1 1    8   24   15 o   48.501   0.6525  2279.51   61.365  2416.40   89.077  2155.86   84.659   49.884   0.9199   47.118   0.9256 2.766075 1.304965 
1 1 1    8   24   16 o   75.812   0.7372  5582.20  108.458  5584.09  155.318  5580.41  151.518   75.824   1.0552   75.801   1.0297 0.2376556E-01 1.474405 
1 1 1    8   24   17 o  130.512   1.1566 16552.29  292.909 16924.76  421.528 16204.52  407.311  131.929   1.6460  129.094   1.6254 2.834702 2.313232 
1 1 1    8   24   18 o   96.540   0.9049  9056.76  169.571  9121.02  241.306  8994.08  238.339   96.878   1.2832   96.202   1.2763 0.6758270 1.809796 
1 1 1    8   24   19 o   49.204   0.7674  2354.63   73.178  2309.15  105.991  2396.05  101.157   48.748   1.1201   49.660   1.0494 -0.9122772 1.534841 
1 1 1    8   24   20 o   42.753   0.8310  1771.95   68.828  1851.29  101.277  1703.87   93.825   43.639   1.1956   41.867   1.1544 1.771214 1.661970 
1 1 1    8   24   21 o  150.377   1.3296 22035.68  388.075 21623.02  543.429 22465.13  554.377  148.941   1.8796  151.813   1.8812 -2.872025 2.659272 
1 1 1    8   24   22 o   40.100   0.9173  1564.98   71.387  1555.54  101.916  1574.06  100.023   39.980   1.3132   40.220   1.2811 -0.2399292 1.834608 
1 1 1    8   24   23 o   69.646   0.8036  4720.14  108.618  4758.96  155.304  4682.97  151.967   69.925   1.1442   69.367   1.1286 0.5578690 1.607108 
1 1 1    8   24   24 o   61.667   0.9856  3709.32  112.270  3704.90  138.861  3717.68  190.778   61.666   1.1600   61.668   1.5937 -0.2471924E-02 1.971164 
1 1 1    8   24   25 o   55.161   0.7994  2967.10   85.586  2925.83  121.167  3008.18  120.906   54.776   1.1395   55.546   1.1213 -0.7696037 1.598717 
1 1 1    8   24   26 o   24.469   1.3648  584.446   64.279  653.244   99.084  534.452   84.465   25.682   1.9875   23.256   1.8710 2.425688 2.729621 
1 1 1    8   24   27 o   21.233   1.5023  450.052   61.668  449.267   91.347  450.710   83.591   21.189   2.2208   21.277   2.0238 -0.8824730E-01 3.004682 
1 1 1    8   24   28 o   22.163   1.5724  490.755   67.252  569.536  100.566  427.021   90.454   23.772   2.1793   20.553   2.2672 3.219271 3.144711 
1 1 1    8   24   29 o   9.5050   2.5583   72.681   67.245  126.875   99.577   27.249   91.174   10.906   3.8151   8.1044   3.4095 2.801131 5.116627 
1 1 1    8   24   30 o   15.204   2.8343  289.710   85.042  225.873  144.140  323.796  105.327   13.450   4.5957   16.957   3.3186 -3.506990 5.668627 
1 1 1    8   25    0 o  267.541   1.5032 69648.18  755.590 70082.14  956.725 68928.83  1231.79  268.666   1.8345  266.416   2.3818 2.250427 3.006392 
1 1 1    8   25    1 o  137.154   0.9612 18259.47  255.885 18109.52  359.183 18414.00  364.631  136.582   1.3547  137.725   1.3639 -1.143219 1.922365 
1 1 1    8   25    2 o  102.106   0.9201 10159.14  177.240  9957.50  285.180 10286.04  226.241  101.275   1.4506  102.938   1.1322 -1.662186 1.840161 
1 1 1    8   25    3 o  128.212   0.9116 15957.68  226.872 16158.24  321.859 15759.62  319.840  129.013   1.2852  127.412   1.2932 1.601433 1.823190 
1 1 1    8   25    4 o   88.268   0.7276  7563.19  124.661  7550.34  176.927  7575.86  175.675   88.193   1.0335   88.342   1.0244 -0.1490402 1.455157 
1 1 1    8   25    5 o   66.123   0.7492  4254.77   91.960  4208.68  154.165  4280.23  114.577   65.843   1.2062   66.403   0.8889 -0.5605316 1.498320 
1 1 1    8   25    6 o  213.317   1.2146 44191.16  502.914 44595.55  709.663 43783.17  712.804  214.298   1.7060  212.336   1.7293 1.962372 2.429186 
1 1 1    8   25    7 o  122.908   0.8998 14665.89  214.666 14551.32  301.515 14783.67  305.696  122.422   1.2688  123.395   1.2762 -0.9732895 1.799594 
1 1 1    8   25    8 o  163.184   1.0737 25858.16  340.106 25595.94  478.709 26125.43  483.289  162.349   1.5190  164.019   1.5179 -1.670670 2.147424 
1 1 1    8   25    9 f   82.678   0.7219  6632.13  115.810  6504.34  160.943  6769.34  166.771   81.852   1.0129   83.503   1.0289 -1.650467 1.443801 
1 1 1    8   25   10 o   52.848   0.6352  2714.33   65.067  2646.58   93.854  2777.02   90.286   52.212   0.9260   53.484   0.8696 -1.271889 1.270327 
1 1 1    8   25   11 o  109.230   0.8718 11587.63  184.679 11559.75  266.834 11613.26  255.862  109.102   1.2599  109.357   1.2053 -0.2548218 1.743597 
1 1 1    8   25   12 o   49.859   0.6426  2412.85   62.174  2441.87   89.265  2385.51   86.649   50.150   0.9170   49.568   0.9005 0.5818024 1.285211 
1 1 1    8   25   13 o  107.697   0.8629 11266.02  180.134 11251.46  261.693 11279.14  248.328  107.629   1.2526  107.765   1.1871 -0.1363373 1.725716 
1 1 1    8   25   14 o  109.110   0.8911 11562.20  188.579 11604.90  272.505 11522.95  261.233  109.301   1.2844  108.918   1.2356 0.3833160 1.782179 
1 1 1    8   25   15 o   47.515   0.6623  2194.99   60.900  2158.83   89.342  2226.37   83.232   47.148   0.9762   47.882   0.8955 -0.7340698 1.324679 
1 1 1    8   25   16 o  116.800   1.0011 13258.48  226.963 13343.70  320.178 13172.40  321.777  117.178   1.4076  116.422   1.4238 0.7562485 2.002154 
1 1 1    8   25   17 o   84.743   0.8138  6973.12  133.793  7076.50  193.188  6877.83  185.471   85.346   1.1661   84.141   1.1355 1.204422 1.627646 
1 1 1    8   25   18 o   72.289   0.7673  5075.81  107.655  5129.06  154.180  5025.15  150.384   72.659   1.0931   71.920   1.0772 0.7387466 1.534690 
1 1 1    8   25   19 o   38.567   0.8705  1446.65   65.128  1399.76   92.730  1492.31   91.492   37.948   1.2588   39.185   1.2028 -1.236942 1.741081 
1 1 1    8   25   20 o   85.298   0.8579  7066.82  141.940  7234.52  205.653  6914.26  196.152   86.262   1.2281   84.335   1.1982 1.927551 1.715798 
1 1 1    8   25   21 o   37.797   0.9665  1390.96   70.773  1372.29  102.973  1407.67   97.434   37.554   1.4126   38.041   1.3195 -0.4871521 1.932939 
1 1 1    8   25   22 o   80.042   0.8444  6229.75  131.127  5931.68  183.201  6542.87  187.766   78.078   1.2087   82.006   1.1795 -3.928772 1.688884 
1 1 1    8   25   23 o   38.768   0.9323  1462.22   69.926  1492.31  103.636  1437.08   94.742   39.128   1.3644   38.408   1.2707 0.7200394 1.864523 
1 1 1    8   25   24 o   22.660   1.4168  489.858   61.147  648.174   95.166  378.544   79.798   25.701   1.9075   19.619   2.0953 6.082109 2.833568 
1 1 1    8   25   25 o   49.077   0.8334  2352.19   79.072  2331.16  116.940  2369.91  107.328   48.862   1.2329   49.292   1.1217 -0.4297256 1.666790 
1 1 1    8   25   26 o   36.912   0.9770  1333.49   69.810  1374.80  103.285  1298.75   94.723   37.426   1.4217   36.399   1.3406 1.027397 1.954074 
1 1 1    8   25   27 o   8.4694   2.4212   40.906   61.935   19.432   94.138   57.294   82.240   8.1950   3.4570   8.7438   3.3908 -0.5488224 4.842337 
1 1 1    8   25   28 o   41.571   0.9416  1699.70   75.918  1775.60  110.044  1630.76  104.872   42.453   1.3353   40.688   1.3278 1.764835 1.883123 
1 1 1    8   25   29 o   24.547   1.6784  601.385   78.827  508.253  101.842  740.558  124.496   22.253   2.3577   26.841   2.3894 -4.588476 3.356768 
1 1 1    8   26    0 o  156.398   1.2619 23742.80  374.438 23715.67  480.978 23784.54  596.566  156.291   1.5854  156.505   1.9637 -0.2138519 2.523752 
1 1 1    8   26    1 o  248.149   1.4667 59596.84  680.156 59059.50  851.487 60544.12  1130.55  246.627   1.7786  249.671   2.3327 -3.044464 2.933385 
1 1 1    8   26    2 o  166.228   1.0711 26828.23  345.618 26963.34  487.096 26691.25  490.478  166.650   1.5057  165.806   1.5239 0.8435822 2.142298 
1 1 1    8   26    3 f   71.830   0.7727  5044.34  104.543  5162.14  133.493  4857.51  168.114   72.924   0.9430   70.737   1.2243 2.187386 1.545394 
1 1 1    8   26    4 f   96.537   0.7755  9046.34  145.325  8991.69  204.257  9102.36  206.808   96.242   1.0933   96.832   1.1002 -0.5903549 1.551078 
1 1 1    8   26    5 o   96.755   0.7843  9085.46  147.272  9314.88  210.137  8863.99  206.460   97.955   1.1051   95.554   1.1131 2.400291 1.568509 
1 1 1    8   26    6 o  188.608   1.1509 34544.36  421.349 34432.57  592.098 34659.04  599.729  188.299   1.6199  188.916   1.6354 -0.6172333 2.301839 
1 1 1    8   26    7 o   55.075   0.6053  2942.34   64.677  3012.16   93.270  2877.66   89.766   55.704   0.8626   54.446   0.8493 1.257740 1.210538 
1 1 1    8   26    8 o  175.691   1.1178 29978.00  381.226 30083.71  537.591 29871.06  540.694  176.003   1.5735  175.379   1.5882 0.6240997 2.235689 
1 1 1    8   26    9 o  137.531   0.9888 18364.99  263.966 18651.95  375.659 18085.10  370.994  138.592   1.3963  136.470   1.4004 2.122406 1.977626 
1 1 1    8   26   10 o   83.213   0.7249  6722.42  117.091  6609.78  164.817  6837.21  166.377   82.509   1.0290   83.917   1.0214 -1.407661 1.449863 
1 1 1    8   26   11 o   62.826   0.6444  3834.00   78.533  3784.85  112.890  3880.08  109.322   62.436   0.9314   63.217   0.8909 -0.7815781 1.288883 
1 1 1    8   26   12 o  138.519   1.0855 18648.32  291.330 18743.37  400.376 18541.38  424.706  138.899   1.4849  138.139   1.5838 0.7595215 2.171054 
1 1 1    8   26   13 o   41.527   0.6782  1680.43   54.454  1588.29   79.191  1763.06   74.999   40.443   1.0087   42.612   0.9067 -2.169109 1.356323 
1 1 1    8   26   14 o   65.824   0.6715  4207.49   85.747  4206.57  123.450  4208.35  119.191   65.817   0.9663   65.832   0.9327 -0.1506805E-01 1.342975 
1 1 1    8   26   15 f   96.291   0.8206  9006.06  153.384  9092.22  217.930  8921.48  215.918   96.747   1.1604   95.834   1.1607 0.9127426 1.641244 
1 1 1    8   26   16 f  101.134   0.8458  9937.54  166.042  9815.14  235.198 10059.17  234.443  100.513   1.2054  101.756   1.1869 -1.243317 1.691689 
1 1 1    8   26   17 o   26.228   1.0892  669.197   55.424  650.468   78.879  687.461   77.893   25.864   1.5711   26.591   1.5090 -0.7271843 2.178405 
1 1 1    8   26   18 o   71.806   0.7657  5010.11  106.713  4988.69  151.913  5030.98  149.937   71.654   1.0922   71.959   1.0734 -0.3044128 1.531343 
1 1 1    8   26   19 o  102.244   0.9537 10164.88  189.287 10137.88  268.252 10191.65  267.135  102.109   1.3534  102.380   1.3442 -0.2716751 1.907446 
1 1 1    8   26   20 o   61.273   0.7692  3644.52   91.390  3734.25  133.023  3564.30  125.772   61.985   1.1055   60.561   1.0699 1.424313 1.538444 
1 1 1    8   26   21 o   93.622   0.9143  8527.50  166.119  8480.93  237.446  8572.16  232.487   93.369   1.3101   93.875   1.2758 -0.5064392 1.828651 
1 1 1    8   26   22 o   27.991   1.1930  770.846   64.149  712.182   95.641  818.820   86.489   27.002   1.8246   28.980   1.5374 -1.977646 2.386009 
1 1 1    8   26   23 o   40.532   0.8863  1597.55   69.392  1631.23  103.829  1570.37   93.287   40.910   1.3074   40.153   1.1968 0.7568130 1.772509 
1 1 1    8   26   24 o   76.830   0.8374  5753.73  124.758  5777.96  180.732  5731.68  172.430   76.977   1.2095   76.683   1.1584 0.2941971 1.674743 
1 1 1    8   26   25 o   22.221   1.4594  484.958   62.591  563.909   92.324  417.810   85.144   23.898   1.9902   20.544   2.1350 3.353771 2.918748 
1 1 1    8   26   26 o   15.939   2.1016  265.909   62.462  277.192   92.455  256.435   84.721   16.228   3.0469   15.650   2.8954 0.5775185 4.203218 
1 1 1    8   26   27 o   51.512   0.8324  2594.72   82.843  2657.48  123.894  2543.97  111.413   52.053   1.2261   50.970   1.1260 1.082214 1.664748 
1 1 1    8   26   28 o   15.241   2.3740  253.441   68.150  283.645  101.757  228.874   91.773   16.070   3.3697   14.412   3.3449 1.657742 4.747967 
1 1 1    8   26   29 o   17.376   2.7151  341.609   87.806  397.297  139.570  305.131  112.961   18.423   4.0161   16.329   3.6548 2.093334 5.430140 
1 1 1    8   27    0 o   43.495   0.8617  1837.10   72.475  1842.83   98.349  1830.29  107.213   43.570   1.1628   43.421   1.2720 0.1492729 1.723425 
1 1 1    8   27    1 o   55.598   0.7415  3033.06   74.616  3092.42   90.895  2910.42  130.661   56.443   0.8296   54.754   1.2293 1.689228 1.483056 
1 1 1    8   27    2 o   65.817   0.7746  4174.49   92.164  4122.04  111.249  4289.28  164.562   65.165   0.8795   66.470   1.2754 -1.304741 1.549211 
1 1 1    8   27    3 o   83.892   0.7135  6829.68  116.176  6665.35  162.692  7000.67  165.953   82.863   1.0114   84.922   1.0067 -2.058807 1.427052 
1 1 1    8   27    4 o  158.579   1.0606 24418.89  326.448 24756.81  461.554 24080.62  461.780  159.678   1.4891  157.481   1.5106 2.196655 2.121114 
1 1 1    8   27    5 o  174.998   1.1086 29737.27  376.535 29652.25  527.843 29825.36  537.285  174.744   1.5561  175.252   1.5793 -0.5080109 2.217157 
1 1 1    8   27    6 o   9.4792   1.9084   89.633   37.106   74.611   53.675  103.384   51.354   8.8364   2.7943   10.122   2.5999 -1.285612 3.816751 
1 1 1    8   27    7 o   91.689   0.7642  8161.95  136.021  8168.77  192.669  8155.17  192.059   91.728   1.0820   91.651   1.0795 0.7633209E-01 1.528459 
1 1 1    8   27    8 o  177.701   1.1407 30662.32  393.420 30389.61  550.052 30947.94  562.932  176.893   1.6019  178.509   1.6245 -1.616013 2.281474 
1 1 1    8   27    9 o  120.193   0.9126 14026.52  212.903 14184.13  303.263 13873.35  298.965  120.859   1.2926  119.528   1.2885 1.331161 1.825141 
1 1 1    8   27   10 o   42.097   0.6739  1720.42   55.059  1729.33   78.807  1711.92   76.957   42.203   0.9619   41.991   0.9441 0.2127304 1.347857 
1 1 1    8   27   11 o   63.625   0.6578  3931.68   81.191  3761.25  114.581  4103.55  115.064   62.239   0.9484   65.011   0.9118 -2.771423 1.315578 
1 1 1    8   27   12 o   74.079   0.6998  5323.95  100.570  5452.33  145.472  5206.42  139.192   74.933   1.0001   73.224   0.9792 1.708557 1.399686 
1 1 1    8   27   13 o   88.017   0.7634  7525.51  130.368  7455.08  186.872  7592.28  181.963   87.615   1.0988   88.420   1.0602 -0.8043365 1.526820 
1 1 1    8   27   14 o  119.481   0.9693 13868.04  224.768 13701.25  314.354 14042.51  321.505  118.746   1.3637  120.215   1.3777 -1.468338 1.938543 
1 1 1    8   27   15 o  113.904   1.0573 12638.80  224.861 12504.82  372.075 12715.89  282.233  113.405   1.6902  114.402   1.2709 -0.9976501 2.114680 
1 1 1    8   27   16 o   61.961   0.6967  3728.34   83.748  3740.08  120.549  3717.38  116.433   62.054   1.0008   61.867   0.9695 0.1873245 1.393360 
1 1 1    8   27   17 o   74.147   0.7734  5339.78  111.304  5264.08  155.773  5418.75  159.094   73.611   1.0901   74.684   1.0974 -1.073128 1.546834 
1 1 1    8   27   18 o   52.780   0.7260  2704.85   74.270  2735.68  108.256  2677.43  102.083   53.063   1.0510   52.497   1.0017 0.5654831 1.451905 
1 1 1    8   27   19 o   67.825   0.7583  4472.54   99.796  4380.81  142.263  4561.42  140.030   67.139   1.0916   68.512   1.0529 -1.373131 1.516630 
1 1 1    8   27   20 o   47.910   1.1822  2229.40  109.192  2284.15  165.265  2186.99  145.466   48.423   1.7582   47.398   1.5810 1.024399 2.364498 
1 1 1    8   27   21 o   34.115   1.2040  1121.89   78.014  1076.84   99.564  1193.55  125.560   33.251   1.5425   34.979   1.8492 -1.728867 2.408077 
1 1 1    8   27   22 o   64.215   0.7931  4017.99   98.669  3916.51  143.087  4110.00  136.242   63.435   1.1620   64.995   1.0799 -1.560402 1.586299 
1 1 1    8   27   23 o   29.376   1.0953  839.065   62.287  894.405   92.378  792.934   84.344   30.257   1.5728   28.494   1.5248 1.762384 2.190650 
1 1 1    8   27   24 o   26.217   1.2448  680.515   62.220  636.380   95.729  712.798   81.871   25.445   1.9381   26.989   1.5627 -1.543694 2.489651 
1 1 1    8   27   25 o   34.001   1.0349  1144.22   67.638  997.925   97.930  1277.68   93.532   31.874   1.5828   36.128   1.3337 -4.254412 2.069746 
1 1 1    8   27   26 o   7.6516   2.1518 -18.7588   60.326 -172.3121   91.692   98.439   80.106   5.3098   2.6046   9.9933   3.4260 -4.683420 4.303608 
1 1 1    8   27   27 o   44.625   0.8812  1965.79   75.762  1853.37  112.296  2059.72  102.642   43.411   1.3326   45.839   1.1535 -2.428146 1.762496 
1 1 1    8   27   28 o   23.629   1.4677  561.149   67.187  603.918   98.734  524.265   91.690   24.463   2.0792   22.795   2.0721 1.667273 2.935416 
1 1 1    8   27   29 o   19.787   2.4510  428.543   89.875  479.562  145.811  397.283  114.135   20.364   3.8291   19.211   3.0606 1.153690 4.901989 
1 1 1    8   28    0 o  159.118   1.2634 24583.55  371.352 24578.45  459.315 24593.17  631.003  159.106   1.4872  159.131   2.0427 -0.2420044E-01 2.526743 
1 1 1    8   28    1 o  114.807   1.0483 12774.90  221.217 12727.56  271.894 12867.60  380.490  114.500   1.2233  115.115   1.7027 -0.6154861 2.096600 
1 1 1    8   28    2 o  139.639   1.1574 18992.79  299.821 19135.44  373.394 18733.89  503.030  140.389   1.3702  138.889   1.8658 1.499664 2.314833 
1 1 1    8   28    3 o  178.673   1.3220 30987.04  438.748 30942.21  546.044 31068.71  737.017  178.508   1.5758  178.838   2.1230 -0.3304901 2.643934 
1 1 1    8   28    4 o  126.189   0.9132 15460.86  223.680 15439.69  317.024 15481.85  315.642  126.103   1.2951  126.275   1.2877 -0.1723328 1.826320 
1 1 1    8   28    5 o   65.604   0.7547  4197.69   92.015  4246.35  114.972  4111.00  153.469   66.138   0.8955   65.070   1.2150 1.067703 1.509359 
1 1 1    8   28    6 o  139.729   0.9822 18948.51  266.330 18587.33  370.657 19334.02  382.938  138.354   1.3801  141.105   1.3980 -2.750778 1.964498 
1 1 1    8   28    7 o   69.953   0.6550  4750.47   88.926  4752.56  126.873  4748.45  124.676   69.968   0.9341   69.938   0.9183 0.3007507E-01 1.309935 
1 1 1    8   28    8 o   34.735   0.7175  1176.79   48.147  1093.41   69.916  1252.00   66.400   33.559   1.0733   35.911   0.9525 -2.352589 1.434986 
1 1 1    8   28    9 o  130.731   0.9858 16596.15  249.854 16652.86  362.807 16544.99  344.591  130.941   1.4274  130.521   1.3601 0.4206390 1.971581 
1 1 1    8   28   10 o   65.428   0.6722  4156.79   85.367  4121.52  121.299  4191.40  120.164   65.152   0.9591   65.703   0.9422 -0.5504532 1.344448 
1 1 1    8   28   11 o  206.621   1.2470 41470.38  500.019 40559.61  696.938 42436.45  717.789  204.285   1.7575  208.956   1.7696 -4.671082 2.494046 
1 1 1    8   28   12 o   32.950   0.7571  1053.72   48.405  1094.47   69.327  1014.96   67.614   33.571   1.0638   32.328   1.0774 1.242744 1.514129 
1 1 1    8   28   13 o  105.310   0.8467 10772.68  173.053 10750.72  246.844 10793.90  242.677  105.204   1.2087  105.416   1.1859 -0.2126083 1.693346 
1 1 1    8   28   14 o  107.523   0.8690 11231.74  181.356 11216.00  258.374 11247.02  254.620  107.448   1.2388  107.598   1.2191 -0.1501007 1.737988 
1 1 1    8   28   15 o   99.804   0.8883  9676.75  172.048  9727.65  246.363  9628.29  240.373  100.060   1.2684   99.549   1.2439 0.5103378 1.776533 
1 1 1    8   28   16 o   85.288   0.8204  7067.47  135.777  7052.03  194.442  7082.17  189.682   85.196   1.1757   85.380   1.1445 -0.1841125 1.640764 
1 1 1    8   28   17 f   17.704   1.5426  310.245   51.953  242.377   74.153  375.680   72.812   15.763   2.4233   19.644   1.9095 -3.880199 3.085219 
1 1 1    8   28   18 o   41.815   1.0115  1746.64   75.830  1576.07  132.789  1829.18   92.374   40.243   1.6998   43.388   1.0968 -3.144840 2.022951 
1 1 1    8   28   19 o   95.444   0.9067  8858.29  167.986  8827.42  238.509  8888.67  236.640   95.278   1.2896   95.610   1.2750 -0.3319855 1.813468 
1 1 1    8   28   20 o  107.708   1.0006 11289.31  209.182 11180.83  296.855 11396.30  294.812  107.192   1.4266  108.225   1.4033 -1.032478 2.001152 
1 1 1    8   28   21 o   21.279   1.4681  444.676   60.047  426.271   90.443  459.183   80.298   20.871   2.2323   21.686   1.9075 -0.8145866 2.936292 
1 1 1    8   28   22 o   32.773   1.0262  1032.80   64.733  1159.81   99.790  940.526   85.057   34.484   1.4907   31.061   1.4107 3.422619 2.052385 
1 1 1    8   28   23 o   25.307   1.2078  622.606   58.671  654.464   90.913  599.868   76.806   25.845   1.8121   24.769   1.5974 1.075460 2.415687 
1 1 1    8   28   24 o   8.9277   2.3221   56.141   58.013 -18.5332   89.493  110.263   76.189   7.3586   3.2370   10.497   3.3302 -3.138165 4.644139 
1 1 1    8   28   25 o   15.928   2.0685  264.185   61.947  226.800   90.125  297.663   85.287   14.630   3.2572   17.225   2.5506 -2.595188 4.137022 
1 1 1    8   28   26 o   13.161   2.3749  184.113   61.026  221.122   90.810  153.635   82.408   14.346   3.3257   11.975   3.3912 2.370949 4.749792 
1 1 1    8   28   27 o   35.779   1.0083  1276.71   68.817  1173.86  105.034  1354.06   91.092   34.441   1.5710   37.116   1.2643 -2.674965 2.016584 
1 1 1    8   28   28 o   10.073   2.6061   99.203   66.219  114.555   99.279   86.899   88.877   10.557   3.7979   9.5898   3.5697 0.9669237 5.212148 
1 1 1    8   28   29 o   27.451   1.8004  792.184   93.074  772.771  149.293  804.527  119.039   26.915   2.8575   27.987   2.1911 -1.072235 3.600881 
1 1 1    8   29    0 o  151.002   1.2160 22183.23  340.463 22280.08  423.421 22006.06  572.663  151.481   1.4400  150.523   1.9599 0.9585114 2.432000 
1 1 1    8   29    1 o   56.570   0.7409  3125.47   75.762  3158.90   91.979  3054.91  133.610   57.046   0.8306   56.094   1.2270 0.9511681 1.481730 
1 1 1    8   29    2 f  136.905   1.1726 18289.51  296.172 18487.35  366.831 17919.06  501.958  137.986   1.3695  135.824   1.9038 2.161896 2.345222 
1 1 1    8   29    3 o  134.920   1.1591 17639.88  288.199 17555.90  355.107 17801.94  493.289  134.463   1.3605  135.377   1.8771 -0.9136353 2.318289 
1 1 1    8   29    4 o  131.262   1.1359 16672.12  275.503 16536.10  340.183 16931.38  469.648  130.499   1.3429  132.025   1.8325 -1.526245 2.271901 
1 1 1    8   29    5 o  244.351   1.3765 58053.15  650.174 57451.89  962.089 58558.56  882.082  243.175   2.0381  245.527   1.8507 -2.352325 2.753031 
1 1 1    8   29    6 o   77.153   0.6960  5776.48  104.216  5627.44  145.794  5932.19  149.027   76.136   0.9865   78.170   0.9821 -2.034393 1.392005 
1 1 1    8   29    7 o   58.172   0.6290  3287.29   70.986  3184.75  101.077  3387.09   99.715   57.276   0.9091   59.068   0.8696 -1.792042 1.258076 
1 1 1    8   29    8 o   19.083   1.4904  398.933   46.365  267.256   86.103  452.708   55.024   16.575   2.6761   21.591   1.3128 -5.016167 2.980791 
1 1 1    8   29    9 o   24.439   0.9210  585.838   43.257  519.412   63.276  644.119   59.270   23.124   1.4096   25.754   1.1856 -2.629721 1.841907 
1 1 1    8   29   10 o  150.542   1.0570 22017.28  308.887 22173.66  437.151 21861.35  436.514  151.076   1.4906  150.008   1.4991 1.068542 2.114041 
1 1 1    8   29   11 o   61.223   0.6707  3638.94   79.700  3680.20  113.675  3599.04  111.775   61.564   0.9512   60.881   0.9458 0.6824188 1.341388 
1 1 1    8   29   12 o   71.873   0.7105  5016.14   99.132  4977.72  139.765  5055.03  140.627   71.596   1.0056   72.150   1.0041 -0.5539093 1.421090 
1 1 1    8   29   13 o   69.600   0.7090  4702.14   95.760  4850.39  137.077  4560.83  133.833   70.671   0.9992   68.529   1.0061 2.142181 1.417949 
1 1 1    8   29   14 o   53.240   0.6863  2752.75   70.924  2756.06   99.871  2749.38  100.739   53.272   0.9658   53.207   0.9753 0.6486511E-01 1.372595 
1 1 1    8   29   15 o   92.674   0.8222  8345.20  147.889  8241.64  210.437  8446.25  207.880   92.105   1.1770   93.244   1.1485 -1.138435 1.644487 
1 1 1    8   29   16 o   70.847   0.7488  4875.23  102.976  4924.48  146.858  4827.58  144.434   71.199   1.0626   70.496   1.0555 0.7035446 1.497679 
1 1 1    8   29   17 o   67.771   0.7531  4462.58   99.064  4379.00  139.815  4546.83  140.383   67.133   1.0729   68.409   1.0572 -1.275482 1.506195 
1 1 1    8   29   18 o   37.072   0.8716  1335.90   62.699  1290.54   88.237  1382.16   89.110   36.435   1.2476   37.708   1.2174 -1.272655 1.743110 
1 1 1    8   29   19 o   54.691   0.9378  2850.41   91.554  3057.15  168.922  2764.42  108.943   56.047   1.5526   53.335   1.0523 2.711834 1.875603 
1 1 1    8   29   20 o   42.686   0.8500  1777.57   70.045  1711.89  103.534  1833.01   95.119   41.952   1.2714   43.420   1.1285 -1.468594 1.699965 
1 1 1    8   29   21 o   10.086   2.3583   82.235   55.759  151.429   87.539   34.997   72.329   12.207   3.5081   7.9663   3.1528 4.240325 4.716672 
1 1 1    8   29   22 o   37.457   0.9113  1360.00   65.505  1412.99  101.354  1321.98   85.842   38.070   1.3715   36.843   1.2003 1.227253 1.822528 
1 1 1    8   29   23 o   24.716   1.2653  597.942   59.870  604.077   92.884  593.581   78.308   24.805   1.9290   24.628   1.6380 0.1771717 2.530677 
1 1 1    8   29   24 o   27.808   1.1740  755.313   63.175  804.019   93.963  715.134   85.343   28.616   1.6915   27.000   1.6283 1.616741 2.347931 
1 1 1    8   29   25 o   28.693   1.1827  815.747   65.452  766.605   96.332  857.887   89.206   27.857   1.7814   29.530   1.5562 -1.673191 2.365439 
1 1 1    8   29   26 o   33.925   1.0181  1134.66   66.747  1103.23   98.358  1161.48   90.875   33.464   1.5141   34.385   1.3615 -0.9209023 2.036224 
1 1 1    8   29   27 o   30.333   1.1436  909.413   66.019  928.991  104.599  896.449   85.115   30.542   1.7643   30.125   1.4555 0.4170704 2.287190 
1 1 1    8   29   28 o   14.301   2.3955  228.837   65.226  230.445   97.456  227.532   87.786   14.271   3.5361   14.331   3.2326 -0.6003571E-01 4.791011 
1 1 1    8   30    0 o  155.540   1.2274 23479.04  353.665 23437.50  438.691 23556.17  597.744  155.359   1.4546  155.721   1.9774 -0.3621368 2.454837 
1 1 1    8   30    1 o  134.082   1.1313 17494.18  281.259 17577.71  349.823 17341.47  473.004  134.547   1.3394  133.617   1.8236 0.9303741 2.262659 
1 1 1    8   30    2 o  104.087   0.9982 10584.14  191.962 10732.38  238.351 10310.49  323.842  105.138   1.1679  103.036   1.6191 2.102356 1.996359 
1 1 1    8   30    3 o   61.104   0.7860  3647.00   86.974  3686.92  105.763  3563.61  152.856   61.627   0.8841   60.581   1.2998 1.045879 1.571973 
1 1 1    8   30    4 o  125.751   1.1270 15277.42  259.434 15119.86  317.037 15596.78  451.362  124.787   1.3088  126.714   1.8350 -1.927818 2.253926 
1 1 1    8   30    5 f  163.799   1.3931 25948.37  405.672 25776.60  483.840 26354.93  744.365  162.920   1.5299  164.677   2.3286 -1.757248 2.786174 
1 1 1    8   30    6 o   93.641   0.9542  8439.77  162.960  8299.85  198.106  8732.58  286.582   92.459   1.1038   94.823   1.5569 -2.364693 1.908496 
1 1 1    8   30    7 o   27.332   0.8145  726.961   43.112  694.869   62.254  756.535   59.762   26.751   1.1989   27.914   1.1029 -1.162735 1.629017 
1 1 1    8   30    8 o  157.545   1.0866 24115.11  332.218 24739.02  470.056 23492.40  469.597  159.583   1.5174  155.507   1.5556 4.076126 2.173136 
1 1 1    8   30    9 o   98.285   0.8204  9379.91  156.514  9521.02  222.810  9242.45  219.906   99.015   1.1592   97.556   1.1612 1.459351 1.640811 
1 1 1    8   30   10 o   65.751   0.6623  4191.08   84.452  4343.51  122.831  4054.43  116.301   66.883   0.9461   64.619   0.9272 2.263451 1.324650 
1 1 1    8   30   11 o  107.899   0.8641 11307.02  180.983 11395.80  257.873 11220.85  254.065  108.316   1.2264  107.482   1.2177 0.8341141 1.728285 
1 1 1    8   30   12 o   7.7260   2.0709   37.353   44.267   5.6352   65.107   64.623   60.369   6.8658   2.8845   8.5861   2.9724 -1.720309 4.141862 
1 1 1    8   30   13 o  102.370   0.8894 10181.93  176.625 10202.49  245.453 10159.84  254.357  102.479   1.2339  102.261   1.2814 0.2181320 1.778851 
1 1 1    8   30   14 o  111.020   0.9234 11971.16  198.920 12139.24  286.273 11814.24  276.606  111.772   1.3194  110.268   1.2923 1.503845 1.846826 
1 1 1    8   30   15 o   92.772   0.8359  8358.72  150.437  8449.13  217.119  8275.23  208.635   93.253   1.1994   92.291   1.1646 0.9619064 1.671761 
1 1 1    8   30   16 o   27.219   1.0332  720.083   54.528  767.963   77.971  674.249   76.285   28.105   1.4291   26.333   1.4924 1.772604 2.066306 
1 1 1    8   30   17 o   74.997   0.7828  5465.66  113.949  5413.78  161.468  5517.13  160.830   74.642   1.1144   75.352   1.0995 -0.7102509 1.565510 
1 1 1    8   30   18 o   32.755   0.9626  1044.84   61.125  998.770   87.283  1089.18   85.628   32.043   1.4032   33.466   1.3181 -1.423218 1.925203 
1 1 1    8   30   19 o   76.185   0.8020  5642.16  118.607  5644.33  168.560  5640.03  166.924   76.199   1.1396   76.171   1.1289 0.2799225E-01 1.604080 
1 1 1    8   30   20 o   60.033   0.7589  3502.52   88.122  3519.51  130.420  3488.25  119.537   60.162   1.1167   59.903   1.0280 0.2593842 1.517854 
1 1 1    8   30   21 o   44.201   0.8408  1911.80   71.546  1812.97  106.659  1992.65   96.468   43.147   1.2734   45.254   1.0981 -2.106945 1.681538 
1 1 1    8   30   22 o   14.979   2.0577  226.747   57.540  225.778   90.623  227.401   74.480   14.777   3.2479   15.181   2.5274 -0.4043522 4.115389 
1 1 1    8   30   23 o   12.651   2.2350  153.417   57.845  264.840   89.969   74.901   75.524   16.043   2.9992   9.2592   3.3145 6.784125 4.469978 
1 1 1    8   30   24 o   9.1386   2.4613   63.835   60.144   67.917   90.988   60.667   80.152   9.3998   3.5868   8.8775   3.3715 0.5222054 4.922575 
1 1 1    8   30   25 o   10.759   2.4393  118.064   60.827   62.385   90.335  164.249   82.274   9.1413   3.5513   12.377   3.3449 -3.235636 4.878502 
1 1 1    8   30   26 o   17.596   1.8995  324.163   62.053  286.312   93.327  354.155   83.077   16.431   3.0379   18.760   2.2813 -2.328615 3.799085 
1 1 1    8   30   27 o   26.560   1.2638  708.022   63.962  681.054   99.319  727.133   83.608   26.050   1.9641   27.070   1.5911 -1.020361 2.527674 
1 1 1    8   30   28 o   25.393   1.6971  678.227   80.102  720.579  102.043  610.228  129.298   26.691   1.9695   24.095   2.7644 2.596329 3.394210 
1 1 1    8   31    0 o   90.999   0.9335  8005.65  154.423  7941.69  187.549  8140.31  272.112   90.444   1.0682   91.555   1.5311 -1.110886 1.866916 
1 1 1    8   31    1 o   87.993   0.9072  7539.02  146.415  7582.51  179.975  7453.92  251.780   88.375   1.0491   87.611   1.4805 0.7640152 1.814486 
1 1 1    8   31    2 o   71.126   0.8190  4909.25  105.517  4904.95  127.961  4918.39  186.518   71.081   0.9274   71.170   1.3501 -0.8911133E-01 1.637905 
1 1 1    8   31    3 o   95.303   0.9492  8761.11  166.003  8643.77  203.211  8996.48  287.810   94.356   1.1095   96.249   1.5404 -1.892944 1.898380 
1 1 1    8   31    4 o  202.795   1.4116 40133.80  534.432 40620.32  671.737 39294.73  882.154  204.505   1.6921  201.086   2.2599 3.419174 2.823228 
1 1 1    8   31    5 o   53.747   0.8828  2797.39   91.979  2654.76  126.154  2959.25  134.393   52.288   1.2429   55.206   1.2541 -2.917088 1.765645 
1 1 1    8   31    6 f  143.262   1.2257 19782.40  324.384 19439.81  399.592 20444.48  555.498  141.477   1.4550  145.047   1.9729 -3.569885 2.451420 
1 1 1    8   31    7 o  187.292   1.3727 33995.75  478.762 33749.89  596.887 34439.26  801.690  186.381   1.6498  188.203   2.1944 -1.821686 2.745386 
1 1 1    8   31    8 o   9.8637   1.9207   95.781   37.917  115.635   57.305   80.319   50.571   10.697   2.7458   9.0307   2.6864 1.666044 3.841384 
1 1 1    8   31    9 o  137.119   0.9949 18263.90  264.795 18223.42  372.055 18305.45  376.946  136.966   1.3994  137.272   1.4146 -0.3066101 1.989795 
1 1 1    8   31   10 o  156.634   1.0857 23839.96  330.080 23836.44  464.150 23843.57  469.503  156.624   1.5266  156.645   1.5440 -0.2142334E-01 2.171327 
1 1 1    8   31   11 o   64.522   0.6678  4041.22   83.591  4078.70  120.442  4006.38  116.108   64.810   0.9573   64.234   0.9312 0.5763092 1.335517 
1 1 1    8   31   12 o   17.644   1.2773  300.959   43.553  321.293   65.433  284.785   58.358   18.175   1.8546   17.113   1.7567 1.061913 2.554518 
1 1 1    8   31   13 o   65.810   0.6865  4206.48   87.649  4192.58  126.137  4219.45  121.880   65.704   0.9890   65.915   0.9525 -0.2116852 1.373099 
1 1 1    8   31   14 o   50.540   0.6872  2483.93   67.329  2355.31   95.820  2609.37   94.625   49.244   1.0024   51.835   0.9404 -2.590050 1.374467 
1 1 1    8   31   15 o   57.088   0.6874  3156.88   76.064  3006.52  104.195  3328.43  111.298   55.637   0.9648   58.539   0.9794 -2.902184 1.374794 
1 1 1    8   31   16 o   77.320   0.7938  5807.95  119.114  5864.04  170.473  5754.45  166.503   77.684   1.1305   76.956   1.1146 0.7280731 1.587543 
1 1 1    8   31   17 o  105.770   0.9723 10877.20  199.610 10944.75  284.155 10811.38  280.464  106.094   1.3798  105.447   1.3702 0.6470642 1.944512 
1 1 1    8   31   18 o   22.496   1.3366  496.727   57.940  446.919   84.152  541.622   79.893   21.410   2.0248   23.583   1.7452 -2.173256 2.673163 
1 1 1    8   31   19 o   20.130   1.5064  395.688   58.657  394.448   86.587  396.739   79.742   20.096   2.2196   20.164   2.0372 -0.6824112E-01 3.012772 
1 1 1    8   31   20 o   69.727   0.7808  4731.31  105.611  4613.00  150.742  4845.36  148.009   68.867   1.1276   70.587   1.0802 -1.719322 1.561506 
1 1 1    8   31   21 o   17.562   1.7950  323.071   56.379  242.180   87.223  381.122   73.890   15.388   3.0279   19.735   1.9287 -4.347926 3.590037 
1 1 1    8   31   22 o   10.183   2.4035   89.387   57.576  146.882   87.604   45.668   76.391   11.976   3.5290   8.3902   3.2640 3.586040 4.807053 
1 1 1    8   31   23 o   34.029   0.9681  1121.99   62.830  1180.76   99.614  1083.16   80.966   34.744   1.4770   33.313   1.2520 1.430779 1.936246 
1 1 1    8   31   24 o   30.656   1.0954  927.089   64.619  889.941   96.872  956.871   86.737   30.074   1.6594   31.239   1.4304 -1.165077 2.190774 
1 1 1    8   31   25 f   20.594   1.6130  431.087   63.463  370.721   93.578  482.495   86.357   19.170   2.5148   22.018   2.0205 -2.848215 3.225912 
1 1 1    8   31   26 o   15.056   2.1960  249.928   62.160  186.751   95.120  297.016   82.120   13.013   3.6289   17.099   2.4741 -4.086363 4.392010 
1 1 1    8   31   27 o   19.696   1.6650  388.804   62.678  436.065   99.582  357.798   80.659   20.613   2.4887   18.779   2.2127 1.834282 3.330057 
1 1 1    8   31   28 o   23.732   2.1576  622.252   95.704  501.499  144.996  715.471  127.397   21.253   3.5145   26.210   2.5039 -4.957069 4.315291 
1 1 1    8   32    0 o   82.225   0.8742  6453.79  129.478  6276.14  155.274  6859.25  234.579   80.404   0.9948   84.046   1.4378 -3.641464 1.748449 
1 1 1    8   32    1 o  193.361   1.4088 36376.32  505.418 36506.30  628.966 36139.41  849.142  193.876   1.6712  192.846   2.2683 1.030167 2.817507 
1 1 1    8   32    2 o  185.841   1.3937 33423.14  478.404 33136.67  590.439 33970.69  816.275  184.712   1.6467  186.969   2.2491 -2.257370 2.787451 
1 1 1    8   32    3 o  108.440   1.0423 11416.87  207.997 11411.00  256.168 11428.22  356.329  108.408   1.2173  108.471   1.6923 -0.6285095E-01 2.084615 
1 1 1    8   32    4 o   77.154   0.8499  5819.69  120.485  5905.68  148.736  5655.56  205.482   77.994   0.9824   76.314   1.3871 1.679665 1.699752 
1 1 1    8   32    5 o   48.311   0.7689  2268.81   68.093  2274.27   83.581  2258.02  117.428   48.400   0.8896   48.221   1.2545 0.1792030 1.537896 
1 1 1    8   32    6 o   40.500   0.8243  1561.48   60.957  1504.09   73.859  1684.09  107.952   39.359   0.9667   41.641   1.3355 -2.282017 1.648659 
1 1 1    8   32    7 o   62.684   2.2937  3731.41  107.625  3723.25  109.718  3938.91  553.649   61.925   0.9127   63.442   4.4957 -1.516190 4.587387 
1 1 1    8   32    8 o   45.865   0.7950  2065.92   66.522  2112.44   81.706  1974.45  114.569   46.644   0.9024   45.086   1.3091 1.557892 1.589945 
1 1 1    8   32    9 o   49.592   2.8290  2355.65   90.100  2352.71   91.377  2458.52  540.826   49.224   0.9563   49.961   5.5765 -0.7374840 5.657904 
1 1 1    8   32   10 o   26.533   0.8977  685.137   46.131  660.530   66.802  707.569   63.780   26.076   1.3197   26.990   1.2173 -0.9142342 1.795424 
1 1 1    8   32   11 o   60.932   0.6695  3603.05   79.141  3666.99  114.304  3544.17  109.683   61.450   0.9582   60.413   0.9353 1.037067 1.339024 
1 1 1    8   32   12 o   98.332   0.8284  9388.26  158.093  9599.10  226.677  9188.57  220.600   99.406   1.1747   97.258   1.1685 2.148483 1.656878 
1 1 1    8   32   13 o  211.162   1.4272 43393.78  584.991 43531.31  825.058 43254.75  829.565  211.501   2.0096  210.823   2.0271 0.6777649 2.854371 
1 1 1    8   32   14 o   83.770   0.7726  6816.11  125.578  6842.48  180.391  6791.31  174.923   83.926   1.1073   83.614   1.0777 0.3124619 1.545157 
1 1 1    8   32   15 o   89.403   0.8486  7766.83  147.254  7762.56  209.925  7770.96  206.611   89.378   1.2100   89.428   1.1902 -0.5007172E-01 1.697223 
1 1 1    8   32   16 o   81.647   0.8120  6478.15  128.693  6484.52  182.981  6471.91  181.033   81.687   1.1540   81.608   1.1428 0.7849884E-01 1.624050 
1 1 1    8   32   17 o   9.1234   2.1411   47.322   55.109 -64.4320   80.032  148.087   75.996   6.1764   2.8523   12.070   3.1938 -5.893996 4.282109 
1 1 1    8   32   18 o   81.722   0.8204  6492.53  130.140  6456.08  184.699  6528.48  183.400   81.494   1.1675   81.951   1.1529 -0.4573059 1.640811 
1 1 1    8   32   19 o   30.395   1.0259  899.419   60.498  895.003   86.856  903.581   84.315   30.321   1.4757   30.469   1.4256 -0.1479988 2.051784 
1 1 1    8   32   20 o   14.909   2.0235  221.413   57.250  262.616   84.477  186.417   77.855   16.339   2.6635   13.480   3.0469 2.858706 4.046994 
1 1 1    8   32   21 o   33.904   0.9515  1117.78   62.508  1164.61   91.792  1077.28   85.357   34.562   1.3682   33.246   1.3226 1.316269 1.902943 
1 1 1    8   32   22 o   32.531   0.9746  1031.41   61.105  1047.96   92.431  1018.55   81.439   32.752   1.4538   32.310   1.2984 0.4416504 1.949252 
1 1 1    8   32   23 o   13.109   2.3024  180.925   57.990  173.691   88.616  186.344   76.692   12.852   3.4706   13.365   3.0264 -0.5129719 4.604758 
1 1 1    8   32   24 o   52.816   0.8155  2725.87   83.201  2740.58  124.112  2713.86  112.128   52.927   1.2080   52.705   1.0960 0.2217102 1.631078 
1 1 1    8   32   25 o   20.268   1.6065  415.489   62.556  374.930   92.139  450.170   85.202   19.286   2.4612   21.249   2.0656 -1.963728 3.213093 
1 1 1    8   32   26 o   46.639   0.8823  2145.21   79.376  2065.31  117.792  2211.67  107.432   45.803   1.3248   47.474   1.1658 -1.670704 1.764697 
1 1 1    8   32   27 o   31.254   1.1381  990.513   67.170  877.435  104.194  1070.93   87.864   29.594   1.8137   32.914   1.3752 -3.319525 2.276123 
1 1 1    8   32   28 o   22.315   2.2265  546.209   95.130  497.405  141.561  586.396  128.458   21.159   3.4465   23.470   2.8196 -2.310640 4.452917 
1 1 1    8   33    0 o  222.183   1.4829 48041.88  614.883 48242.16  770.912 47691.69  1019.40  222.855   1.7820  221.512   2.3707 1.343155 2.965818 
1 1 1    8   33    1 o  200.127   1.4216 39008.33  529.992 39252.93  663.289 38576.37  881.435  201.027   1.6997  199.227   2.2792 1.799942 2.843191 
1 1 1    8   33    2 o  155.558   1.2742 23471.02  368.155 23382.31  457.897 23633.22  619.153  155.163   1.5203  155.953   2.0452 -0.7899017 2.548352 
1 1 1    8   33    3 o  138.188   1.1939 18567.87  306.394 18611.42  381.599 18488.86  514.008  138.433   1.4200  137.942   1.9196 0.4911346 2.387747 
1 1 1    8   33    4 o   64.577   0.9316  4042.57  116.631  3914.64  160.053  4187.42  170.306   63.490   1.2987   65.664   1.3361 -2.173676 1.863248 
1 1 1    8   33    5 o   56.371   0.7812  3076.14   79.185  3060.50   95.320  3110.96  142.247   56.146   0.8746   56.597   1.2947 -0.4511528 1.562457 
1 1 1    8   33    6 o  105.482   1.0321 10879.69  201.111 11045.15  249.760 10574.59  339.154  106.644   1.2065  104.319   1.6748 2.325432 2.064127 
1 1 1    8   33    7 o   74.162   0.8359  5318.07  114.373  5267.24  140.948  5416.06  195.702   73.652   0.9859   74.671   1.3501 -1.019554 1.671756 
1 1 1    8   33    8 o   65.637   0.8198  4186.64   97.911  4191.26  119.291  4177.10  171.400   65.700   0.9354   65.575   1.3465 0.1254501 1.639503 
1 1 1    8   33    9 f   91.688   0.9470  8151.33  159.265  8120.30  195.329  8212.88  275.094   91.441   1.1004   91.934   1.5415 -0.4935684 1.893965 
1 1 1    8   33   10 o   15.074   2.0417  243.700   52.256  267.936   62.235  185.774   96.216   16.598   1.9316   13.550   3.5977 3.048396 4.083462 
1 1 1    8   33   11 o  103.663   0.8865 10440.22  178.380 10482.74  251.572 10397.23  252.969  103.876   1.2476  103.450   1.2597 0.4254456 1.772972 
1 1 1    8   33   12 o   56.419   0.6789  3089.11   74.311  3153.96  107.230  3029.20  103.076   56.988   0.9693   55.850   0.9508 1.137913 1.357766 
1 1 1    8   33   13 o  105.463   0.8824 10805.55  180.607 10525.41  254.020 11091.94  256.836  104.080   1.2573  106.846   1.2383 -2.766098 1.764720 
1 1 1    8   33   14 o   81.869   0.7716  6510.44  122.595  6551.01  175.303  6471.60  171.511   82.118   1.0997   81.620   1.0825 0.4980469 1.543124 
1 1 1    8   33   15 o   16.168   1.7680  264.359   52.521  335.300   74.081  192.667   74.473   18.551   2.0572   13.785   2.8761 4.766114 3.536074 
1 1 1    8   33   16 f   82.952   0.8194  6684.64  131.902  6776.18  189.495  6598.60  183.714   83.502   1.1691   82.402   1.1485 1.099541 1.638840 
1 1 1    8   33   17 o   45.854   0.7965  2043.43   70.888  2010.96   99.699  2076.64  100.812   45.486   1.1291   46.223   1.1235 -0.7371559 1.592900 
1 1 1    8   33   18 o   21.268   1.3253  435.029   53.644  571.714   80.748  327.044   71.771   24.226   1.7171   18.310   2.0193 5.915804 2.650645 
1 1 1    8   33   19 o   45.239   0.7960  1990.24   69.900  1994.40   99.560  1986.19   98.163   45.285   1.1326   45.193   1.1190 0.9214783E-01 1.592095 
1 1 1    8   33   20 o   43.906   0.8206  1878.10   69.870  1819.74   99.998  1933.77   97.665   43.236   1.1915   44.576   1.1287 -1.340755 1.641197 
1 1 1    8   33   21 o   46.803   0.8186  2134.67   74.251  2115.11  107.911  2152.26  102.326   46.594   1.1931   47.012   1.1213 -0.4177513 1.637282 
1 1 1    8   33   22 o   6.9038   2.1732 -27.4077   58.373 -26.5532   87.651 -28.0887   78.251   7.1377   3.1685   6.6700   2.9753 0.4676137 4.346443 
1 1 1    8   33   23 o   20.547   1.6284  442.457   61.266  305.462   92.271  550.477   81.934   17.449   2.7241   23.645   1.7851 -6.195629 3.256871 
1 1 1    8   33   24 o   14.176   2.2158  224.913   61.517  124.543   93.813  300.631   81.482   11.057   3.7079   17.295   2.4270 -6.237996 4.431571 
1 1 1    8   33   25 o   12.284   2.2780  144.970   61.230  278.124   94.151   47.378   80.604   16.169   3.1126   8.3995   3.3270 7.769423 4.556052 
1 1 1    8   33   26 o   29.769   1.1720  882.710   67.301  858.671  100.149  902.505   90.880   29.356   1.7575   30.182   1.5511 -0.8265572 2.344095 
1 1 1    8   33   27 o   30.376   1.1857  917.070   68.309  944.307  109.485  899.710   87.407   30.655   1.8399   30.097   1.4961 0.5581818 2.371389 
1 1 1    8   34    0 o   91.917   0.9376  8181.96  157.933  8136.58  193.424  8272.73  273.556   91.543   1.0885   92.290   1.5270 -0.7468414 1.875200 
1 1 1    8   34    1 o   84.487   0.9099  6980.40  141.858  7092.15  175.980  6773.03  239.714   85.466   1.0607   83.507   1.4788 1.958977 1.819872 
1 1 1    8   34    2 o   34.881   0.8244  1153.72   51.152  1114.48   60.649  1250.42   95.203   33.881   0.9222   35.882   1.3668 -2.000759 1.648811 
1 1 1    8   34    3 o   87.208   0.9123  7413.80  146.387  7474.32  180.658  7298.09  249.799   87.736   1.0607   86.679   1.4846 1.057465 1.824625 
1 1 1    8   34    4 o  116.533   1.0865 13145.67  234.167 13039.26  289.468 13347.16  398.331  115.869   1.2870  117.197   1.7509 -1.327522 2.173014 
1 1 1    8   34    5 o  130.425   1.1804 16533.91  284.806 16543.98  352.932 16515.10  482.241  130.505   1.3932  130.344   1.9059 0.1600800 2.360814 
1 1 1    8   34    6 o   18.609   1.5454  354.022   49.074  375.760   58.104  299.931   91.657   19.666   1.5220   17.552   2.6902 2.114639 3.090899 
1 1 1    8   34    7 o   18.930   1.4672  371.797   48.794  412.823   59.737  289.559   84.577   20.613   1.4929   17.247   2.5263 3.366240 2.934447 
1 1 1    8   34    8 o   82.131   0.9070  6533.75  135.777  6498.67  165.417  6606.21  237.708   81.805   1.0417   82.456   1.4851 -0.6514740 1.814007 
1 1 1    8   34    9 o   43.892   0.8164  1835.99   65.313  1772.68   79.037  1972.31  115.978   42.726   0.9529   45.058   1.3260 -2.331654 1.632896 
1 1 1    8   34   10 o   90.285   0.9552  7949.71  157.982  8009.93  194.053  7831.35  272.052   90.811   1.1008   89.760   1.5614 1.051216 1.910414 
1 1 1    8   34   11 o   53.480   0.8476  2846.24   82.253  2982.63  101.245  2581.46  141.067   55.419   0.9411   51.540   1.4100 3.879227 1.695219 
1 1 1    8   34   12 o   64.166   0.8460  4004.76   98.994  4014.00  120.892  3985.97  172.468   64.289   0.9687   64.043   1.3873 0.2457962 1.692047 
1 1 1    8   34   13 o   62.229   0.8739  3708.68   98.357  3617.78  118.449  3910.55  176.515   61.030   0.9998   63.427   1.4336 -2.397007 1.747845 
1 1 1    8   34   14 o   54.517   0.7047  2883.90   74.528  2978.87  107.674  2796.55  103.261   55.377   1.0016   53.656   0.9914 1.720963 1.409315 
1 1 1    8   34   15 o   42.648   0.7661  1768.43   63.354  1668.56   89.456  1868.93   89.737   41.438   1.1121   43.858   1.0540 -2.420013 1.532228 
1 1 1    8   34   16 o   18.495   1.4737  335.443   52.361  319.193   78.863  348.254   70.022   18.085   2.2464   18.905   1.9081 -0.8197575 2.947410 
1 1 1    8   34   17 o   43.828   0.7930  1867.96   67.425  1935.34   95.167  1800.04   95.541   44.623   1.0986   43.033   1.1437 1.590530 1.585916 
1 1 1    8   34   18 o   23.825   1.1898  555.455   54.238  537.920   83.397  568.308   71.400   23.489   1.8290   24.160   1.5224 -0.6708889 2.379690 
1 1 1    8   34   19 o   50.746   0.7654  2504.50   75.340  2509.80  108.671  2499.59  104.542   50.796   1.1021   50.696   1.0623 0.9949875E-01 1.530726 
1 1 1    8   34   20 o   46.678   0.8066  2118.44   73.026  2184.97  105.828  2057.96  100.897   47.375   1.1508   45.980   1.1304 1.395195 1.613103 
1 1 1    8   34   21 o   54.579   0.7676  2901.00   81.248  2738.01  114.006  3069.23  115.821   53.018   1.1078   56.141   1.0628 -3.123249 1.535126 
1 1 1    8   34   22 o   61.830   0.7771  3717.90   93.132  3882.58  136.384  3574.00  127.484   63.106   1.1133   60.554   1.0845 2.552818 1.554268 
1 1 1    8   34   23 o   39.834   0.9242  1565.98   70.845  1417.27  103.864  1695.37   96.881   38.024   1.4072   41.644   1.1984 -3.620098 1.848341 
1 1 1    8   34   24 o   33.797   1.0221  1121.50   66.693  1138.41   99.958  1107.93   89.537   34.005   1.5143   33.589   1.3732 0.4162788 2.044197 
1 1 1    8   34   25 o   22.388   1.5140  511.109   64.362  455.660   98.382  552.597   85.100   21.218   2.3886   23.557   1.8610 -2.338831 3.027973 
1 1 1    8   34   26 o   24.507   1.3776  587.433   64.504  756.264   99.934  466.858   84.453   27.479   1.8735   21.536   2.0202 5.942888 2.755182 
1 1 1    8   34   27 o   8.9466   2.4524   68.107   62.694   16.340  102.798   98.764   79.108   8.1786   3.5348   9.7146   3.4003 -1.536007 4.904828 
1 1 1    8   35    0 o   83.494   0.9074  6764.80  138.189  6754.24  168.631  6786.39  241.120   83.404   1.0416   83.585   1.4861 -0.1811447 1.814741 
1 1 1    8   35    1 o   34.017   0.9316  1173.09   54.861  1240.77   65.416  1012.65  100.725   35.748   0.9427   32.285   1.6072 3.463253 1.863259 
1 1 1    8   35    2 o   58.513   0.7837  3327.29   83.275  3332.15  101.272  3317.14  146.335   58.584   0.8905   58.442   1.2899 0.1421204 1.567458 
1 1 1    8   35    3 o   52.722   0.7773  2731.21   73.126  2782.49   88.033  2617.07  131.342   53.535   0.8471   51.908   1.3035 1.626183 1.554552 
1 1 1    8   35    4 o   90.318   0.9510  7948.17  157.047  7997.73  192.475  7849.46  271.639   90.752   1.0926   89.883   1.5569 0.8686676 1.901981 
1 1 1    8   35    5 o   50.579   0.7944  2476.60   72.368  2463.59   87.236  2505.32  129.596   50.372   0.8922   50.787   1.3146 -0.4143906 1.588706 
1 1 1    8   35    6 o  103.387   1.0520 10337.97  198.524 10247.35  241.995 10524.46  347.168  102.716   1.2137  104.059   1.7187 -1.343254 2.104012 
1 1 1    8   35    7 o   66.430   0.8201  4211.23   98.526  4086.59  118.514  4490.12  177.284   64.874   0.9411   67.986   1.3433 -3.112251 1.640190 
1 1 1    8   35    8 o   48.020   0.8114  2163.28   70.236  2044.38   83.812  2443.78  128.725   45.884   0.9410   50.156   1.3221 -4.271255 1.622802 
1 1 1    8   35    9 o   74.198   0.8662  5307.40  116.511  5235.76  140.957  5461.90  207.007   73.425   0.9890   74.971   1.4224 -1.545547 1.732429 
1 1 1    8   35   10 o   61.164   0.8353  3661.20   92.342  3709.76  112.180  3559.14  162.631   61.807   0.9350   60.520   1.3843 1.287090 1.670505 
1 1 1    8   35   11 o   58.532   0.8411  3360.58   89.755  3424.65  110.057  3233.36  155.094   59.383   0.9547   57.682   1.3851 1.701111 1.682296 
1 1 1    8   35   12 o   40.406   0.9347  1569.36   68.561  1538.92   82.939  1635.06  121.835   39.803   1.0734   41.010   1.5304 -1.207268 1.869369 
1 1 1    8   35   13 o  110.477   1.1410 11805.54  227.209 11697.75  273.824 12043.80  407.098  109.712   1.2857  111.242   1.8852 -1.529251 2.281938 
1 1 1    8   35   14 o   33.217   1.1170  1070.40   66.761  1065.43   80.426  1081.41  119.725   33.108   1.2514   33.327   1.8506 -0.2190094 2.234029 
1 1 1    8   35   15 o   74.908   0.9487  5452.08  131.447  5444.11  162.778  5467.02  222.854   74.849   1.1203   74.968   1.5314 -0.1185455 1.897426 
1 1 1    8   35   16 f   32.667   1.1491  1068.71   66.742  962.338  118.534  1118.10   80.761   31.422   1.9433   33.912   1.2268 -2.490555 2.298175 
1 1 1    8   35   17 o   32.490   0.9497  1030.13   59.677  976.899   86.718  1078.01   82.252   31.687   1.4098   33.294   1.2727 -1.607037 1.899303 
1 1 1    8   35   18 o   16.779   1.7958  278.040   56.443  342.145   83.231  223.458   76.801   18.702   2.2927   14.857   2.7647 3.844851 3.591668 
1 1 1    8   35   19 o   47.624   0.7669  2199.18   70.742  2315.55  104.399  2100.39   96.191   48.783   1.1025   46.465   1.0665 2.318043 1.533862 
1 1 1    8   35   20 o   12.239   2.3030  154.719   55.846  139.252   79.899  169.494   78.088   11.672   3.3507   12.807   3.1603 -1.135708 4.605958 
1 1 1    8   35   21 o   17.148   1.7662  292.032   58.573  275.068   84.892  307.446   80.920   16.654   2.6260   17.643   2.3628 -0.9887772 3.532495 
1 1 1    8   35   22 o   32.461   1.0326  1026.45   64.899  1118.92   95.790  947.983   88.237   33.806   1.4597   31.117   1.4608 2.689487 2.065103 
1 1 1    8   35   23 o   38.854   0.9339  1470.04   70.094  1570.79  105.616  1390.74   93.704   40.025   1.3594   37.683   1.2810 2.342354 1.867845 
1 1 1    8   35   24 o   38.415   0.9779  1469.19   71.843  1298.67  107.085  1608.77   96.881   36.313   1.5192   40.517   1.2318 -4.204247 1.955794 
1 1 1    8   35   25 o   8.2553   2.3269   5.0023   62.079  113.574   95.219 -75.2663   81.872   10.588   3.7289   5.9230   2.7845 4.664642 4.653792 
1 1 1    8   35   26 o   39.606   0.9482  1551.20   72.487  1525.89  107.904  1572.02   97.854   39.272   1.4154   39.939   1.2622 -0.6669006 1.896435 
1 1 1    8   35   27 o   16.224   2.3538  291.276   73.269  187.860   98.918  416.978  109.057   12.660   3.7551   19.788   2.8391 -7.127970 4.707560 
1 1 1    8   36    0 o   66.431   0.8000  4255.96   95.957  4206.03  115.729  4365.80  171.652   65.818   0.9058   67.044   1.3189 -1.225693 1.600027 
1 1 1    8   36    1 o  105.187   1.0317 10736.11  198.720 10711.22  243.396 10785.88  344.155  105.020   1.1939  105.354   1.6828 -0.3342209 2.063327 
1 1 1    8   36    2 o   98.238   1.0050  9423.27  181.526  9527.96  224.024  9223.12  309.762   99.051   1.1651   97.426   1.6379 1.624802 2.010036 
1 1 1    8   36    3 o  143.150   1.2543 20055.03  331.531 20376.28  411.587 19461.51  559.451  144.825   1.4640  141.475   2.0371 3.349503 2.508633 
1 1 1    8   36    4 o  158.302   1.3391 24366.51  390.545 24376.34  481.749 24347.65  667.043  158.389   1.5669  158.215   2.1719 0.1741180 2.678100 
1 1 1    8   36    5 o   10.931   2.1629  128.911   48.660  158.974   58.000   57.460   89.417   12.563   2.4663   9.2986   3.5539 3.264848 4.325808 
1 1 1    8   36    6 o  102.858   1.0293 10194.57  193.838 10029.11  236.584 10532.46  338.088  101.616   1.1994  104.100   1.6731 -2.484146 2.058565 
1 1 1    8   36    7 o   84.836   0.9368  6949.12  145.064  6867.99  176.700  7116.85  254.061   84.094   1.0824   85.579   1.5294 -1.484360 1.873658 
1 1 1    8   36    8 o   62.975   0.8340  3844.43   94.814  3830.78  114.567  3874.08  168.907   62.808   0.9397   63.143   1.3780 -0.3349495 1.667931 
1 1 1    8   36    9 o   39.699   1.0046  1531.31   77.410  1550.66  110.287  1512.53  108.677   39.946   1.4223   39.452   1.4191 0.4941025 2.009160 
1 1 1    8   36   10 o   86.544   0.9433  7266.65  149.617  7244.06  183.375  7311.63  258.770   86.359   1.0939   86.728   1.5370 -0.3694687 1.886549 
1 1 1    8   36   11 o   85.140   0.9605  7120.62  150.201  7287.67  185.782  6805.36  255.217   86.615   1.1050   83.664   1.5715 2.951103 1.921047 
1 1 1    8   36   12 f  106.744   1.0937 11130.25  217.369 11263.82  272.266 10895.47  360.977  107.659   1.3028  105.829   1.7572 1.830017 2.187442 
1 1 1    8   36   13 o   53.444   0.8963  2801.41   87.734  2854.62  108.075  2698.59  150.240   54.208   1.0271   52.681   1.4692 1.526917 1.792566 
1 1 1    8   36   14 o   26.355   1.3091  645.502   64.774  564.086   80.161  798.682  109.953   24.075   1.7153   28.634   1.9781 -4.559278 2.618237 
1 1 1    8   36   15 o   52.476   0.8734  2720.93   85.143  2838.76  107.288  2520.48  139.935   54.050   1.0226   50.903   1.4162 3.147072 1.746767 
1 1 1    8   36   16 o   27.293   1.3937  760.848   68.031  828.088   83.793  630.812  116.528   29.173   1.4797   25.413   2.3621 3.759846 2.787322 
1 1 1    8   36   17 o   51.447   0.9198  2546.18   87.246  2486.01  107.087  2664.95  150.461   50.570   1.0909   52.323   1.4814 -1.753620 1.839696 
1 1 1    8   36   18 o   21.007   1.6964  426.109   66.461  410.071   82.485  455.789  112.211   20.478   2.0750   21.535   2.6842 -1.057367 3.392747 
1 1 1    8   36   19 o   32.408   1.0835  1035.09   66.968  1088.49   88.272  962.685  102.791   33.420   1.3606   31.395   1.6866 2.024855 2.167053 
1 1 1    8   36   20 o   13.700   2.1125  192.347   54.503  214.026   80.629  174.105   73.960   14.420   2.9790   12.981   2.9959 1.438882 4.224946 
1 1 1    8   36   21 o   28.927   1.0700  820.012   59.950  790.728   86.745  846.788   82.946   28.423   1.5722   29.431   1.4519 -1.008490 2.140051 
1 1 1    8   36   22 o   36.329   0.9394  1284.78   66.066  1395.79   97.798  1191.60   89.602   37.764   1.3341   34.895   1.3228 2.868946 1.878721 
1 1 1    8   36   23 o   65.154   0.8009  4145.23  101.017  4245.76  149.250  4060.24  137.226   65.866   1.1673   64.442   1.0970 1.424026 1.601880 
1 1 1    8   36   24 o   12.188   2.2434  140.565   59.203  274.800   92.655   47.946   76.964   16.080   3.0805   8.2959   3.2621 7.784082 4.486738 
1 1 1    8   36   25 o   19.877   1.6255  416.321   59.675  335.581   94.071  470.691   77.195   18.043   2.6859   21.710   1.8317 -3.667782 3.251021 
1 1 1    8   36   26 o   12.564   2.4264  181.673   61.497  144.710   96.170  207.243   79.989   11.399   3.7519   13.728   3.0777 -2.329009 4.852715 
1 1 1    8   37    0 o   76.486   0.8538  5567.23  117.425  5387.81  140.474  5983.39  213.944   74.490   0.9715   78.482   1.4043 -3.991722 1.707592 
1 1 1    8   37    1 o   51.526   0.7673  2601.19   71.713  2644.27   87.467  2512.83  125.255   52.187   0.8634   50.864   1.2686 1.323277 1.534529 
1 1 1    8   37    2 o  123.474   1.1431 14801.57  259.384 14773.43  318.894 14856.58  445.887  123.324   1.3321  123.623   1.8581 -0.2993622 2.286227 
1 1 1    8   37    3 o   43.469   0.8241  1824.04   64.183  1806.50   76.952  1864.13  116.343   43.133   0.9191   43.805   1.3682 -0.6719322 1.648215 
1 1 1    8   37    4 o  135.313   1.2108 17733.72  300.939 17603.73  369.319 17990.57  519.153  134.608   1.4134  136.017   1.9662 -1.408737 2.421527 
1 1 1    8   37    5 o   81.539   0.9135  6493.51  137.079  6570.83  169.372  6346.71  233.387   82.257   1.0607   80.820   1.4876 1.436508 1.827057 
1 1 1    8   37    6 o   55.795   0.8171  2941.64   81.343  2823.39   96.548  3230.90  151.002   53.923   0.9224   57.668   1.3489 -3.745525 1.634113 
1 1 1    8   37    7 o   46.997   0.8157  2140.38   67.786  2133.22   80.592  2157.69  125.322   46.870   0.8858   47.123   1.3700 -0.2527122 1.631433 
1 1 1    8   37    8 o   31.630   1.1759  961.694   71.694  884.301   94.768  1065.27  109.631   30.160   1.6187   33.100   1.7062 -2.939539 2.351895 
1 1 1    8   37    9 o  131.101   1.2209 16776.14  294.945 16914.99  364.636 16513.38  501.622  131.928   1.4238  130.274   1.9836 1.654388 2.441704 
1 1 1    8   37   10 o   46.070   0.7982  2076.51   68.414  2114.82   85.754  2009.44  113.470   46.665   0.9467   45.475   1.2854 1.189182 1.596384 
1 1 1    8   37   11 o   95.153   1.0255  8818.93  179.143  8855.89  220.363  8746.91  307.626   95.472   1.1891   94.834   1.6711 0.6370544 2.050921 
1 1 1    8   37   12 o   94.116   1.0161  8662.54  175.905  8774.29  217.313  8450.17  299.573   95.027   1.1781   93.204   1.6558 1.822372 2.032108 
1 1 1    8   37   13 o   47.873   0.9052  2199.18   78.536  2149.65   94.800  2307.53  140.222   47.038   1.0382   48.709   1.4830 -1.671204 1.810313 
1 1 1    8   37   14 o   15.159   2.2117  244.322   61.446  282.978   77.393  178.402  101.066   17.029   2.3413   13.289   3.7529 3.740160 4.423347 
1 1 1    8   37   15 o   43.199   0.9029  1784.46   74.164  1675.06   94.517  1959.72  119.634   41.511   1.1730   44.887   1.3730 -3.376083 1.805796 
1 1 1    8   37   16 o   76.201   0.9764  5618.10  135.251  5561.42  164.192  5737.73  238.546   75.638   1.1183   76.765   1.6008 -1.127266 1.952736 
1 1 1    8   37   17 o   31.799   1.1567  971.677   69.628  926.791   88.223  1045.82  113.383   30.851   1.4731   32.748   1.7836 -1.896654 2.313312 
1 1 1    8   37   18 f   45.217   0.9906  2049.48   82.508  2197.41  103.894  1796.88  135.765   47.521   1.1263   42.913   1.6298 4.608231 1.981101 
1 1 1    8   37   19 o   24.673   1.2818  574.425   60.252  483.589   76.851  719.326   97.064   22.235   1.7805   27.111   1.8443 -4.875738 2.563542 
1 1 1    8   37   20 o   26.115   1.3960  690.657   67.239  747.652   85.121  596.081  109.651   27.647   1.5861   24.582   2.2979 3.064886 2.792083 
1 1 1    8   37   21 o   27.434   1.3857  733.720   71.267  713.047   89.273  770.039  118.332   26.954   1.7062   27.913   2.1839 -0.9582710 2.771376 
1 1 1    8   37   22 o   38.071   1.0997  1414.21   78.430  1385.95   98.315  1463.69  130.067   37.611   1.3466   38.531   1.7390 -0.9203262 2.199387 
1 1 1    8   37   23 f   38.947   1.1263  1503.09   82.059  1524.86  103.575  1466.38  134.486   39.412   1.3538   38.482   1.8003 0.9298019 2.252543 
1 1 1    8   37   24 o   28.677   1.4073  830.179   76.438  862.830   99.142  782.324  120.025   29.481   1.7324   27.874   2.2182 1.607252 2.814573 
1 1 1    8   37   25 o   35.145   1.2554  1227.65   82.307  1212.92  102.859  1253.87  137.237   34.987   1.5145   35.303   2.0026 -0.3160324 2.510838 
1 1 1    8   37   26 o   33.716   1.3183  1175.44   83.424  1299.97  109.151  1000.53  129.365   36.110   1.5572   31.321   2.1277 4.788168 2.636659 
1 1 1    8   38    0 o   67.188   0.8257  4360.82   98.968  4325.17  118.301  4443.95  180.649   66.742   0.9131   67.635   1.3759 -0.8930054 1.651364 
1 1 1    8   38    1 o  109.801   1.0863 11708.75  218.730 11695.62  268.366 11734.75  377.512  109.730   1.2599  109.872   1.7700 -0.1421509 2.172626 
1 1 1    8   38    2 o   79.600   0.8803  6147.88  128.453  6134.58  157.498  6174.30  221.995   79.481   1.0208   79.718   1.4346 -0.2370148 1.760693 
1 1 1    8   38    3 o   35.252   0.9296  1227.15   57.937  1256.96   69.374  1158.44  105.334   35.978   0.9933   34.527   1.5716 1.451286 1.859213 
1 1 1    8   38    4 o   69.472   0.8436  4666.29  106.196  4628.39  128.585  4747.59  188.342   69.039   0.9595   69.905   1.3879 -0.8656921 1.687297 
1 1 1    8   38    5 o   81.757   0.9061  6523.02  135.946  6585.06  167.379  6402.75  233.033   82.344   1.0471   81.171   1.4789 1.172424 1.812118 
1 1 1    8   38    6 o  119.707   1.2834 13930.73  296.819 13881.74  400.491 13990.43  442.120  119.485   1.7267  119.930   1.8991 -0.4442749 2.566714 
1 1 1    8   38    7 o   62.062   0.8378  3716.80   94.629  3671.18  114.931  3812.81  166.739   61.484   0.9630   62.640   1.3713 -1.156441 1.675602 
1 1 1    8   38    8 o   38.695   0.9302  1464.71   65.131  1482.54   79.178  1427.41  114.539   39.069   1.0440   38.320   1.5398 0.7488518 1.860344 
1 1 1    8   38    9 o   13.502   2.1990  186.069   54.567  190.404   67.695  178.027   92.202   13.747   2.6327   13.256   3.5229 0.4907780 4.397912 
1 1 1    8   38   10 o   22.848   1.3790  529.542   57.103  577.234   71.155  443.256   95.709   24.367   1.5043   21.329   2.3116 3.037920 2.757969 
1 1 1    8   38   11 o   88.051   0.9793  7561.55  158.813  7617.18  196.181  7455.78  270.509   88.544   1.1414   87.559   1.5915 0.9851761 1.958513 
1 1 1    8   38   12 o   41.805   0.9602  1723.40   72.209  1765.79   87.631  1633.74  127.447   42.631   1.0589   40.979   1.6021 1.651913 1.920455 
1 1 1    8   38   13 o   72.113   1.0460  5054.66  146.366  4964.60  203.389  5151.40  210.795   71.448   1.4665   72.777   1.4921 -1.329231 2.092097 
1 1 1    8   38   14 o   64.334   0.9003  3998.91  106.963  3942.82  131.822  4107.01  183.012   63.695   1.0661   64.973   1.4511 -1.277218 1.800622 
1 1 1    8   38   15 o   67.952   0.9269  4512.73  116.332  4563.80  144.303  4417.93  196.609   68.525   1.0848   67.379   1.5032 1.146248 1.853762 
1 1 1    8   38   16 o   91.256   1.0841  8113.16  181.182  8123.33  222.167  8092.96  313.071   91.389   1.2523   91.123   1.7699 0.2663269 2.168164 
1 1 1    8   38   17 o   45.302   0.9141  1996.99   78.741  1994.02  101.583  2001.45  124.631   45.273   1.1559   45.331   1.4163 -0.5777740E-01 1.828133 
1 1 1    8   38   18 o   35.000   1.1089  1140.77   70.918  1044.58   85.270  1356.59  127.726   32.742   1.3416   37.259   1.7660 -4.517296 2.217795 
1 1 1    8   38   19 o   50.518   0.8840  2458.58   83.799  2378.26  104.977  2599.67  139.129   49.420   1.0943   51.617   1.3885 -2.197521 1.767907 
1 1 1    8   38   20 o   16.770   2.0972  263.253   64.358  166.214   80.576  434.248  106.961   12.629   3.2633   20.911   2.6350 -8.281893 4.194326 
1 1 1    8   38   21 o   34.511   1.1627  1187.18   74.197  1230.59   92.858  1110.51  123.399   35.464   1.3489   33.558   1.8943 1.905823 2.325480 
1 1 1    8   38   22 o   48.778   0.9666  2288.78   87.891  2178.30  108.783  2496.48  149.158   47.180   1.1878   50.376   1.5253 -3.195179 1.933235 
1 1 1    8   38   23 o   36.444   1.1630  1339.45   79.497  1438.35  102.569  1190.66  125.810   38.258   1.3811   34.630   1.8715 3.627686 2.325962 
1 1 1    8   38   24 o   25.006   1.6349  637.577   76.509  649.980   96.905  617.050  124.663   25.479   1.9593   24.533   2.6177 0.9465828 3.269759 
1 1 1    8   38   25 o   42.230   1.1204  1739.51   88.924  1644.91  111.242  1906.97  148.002   40.777   1.4054   43.682   1.7454 -2.905186 2.240865 
1 1 1    8   38   26 o   14.519   2.8162  245.525   80.557  212.481  103.555  296.170  128.201   13.419   3.8020   15.619   4.1556 -2.200111 5.632417 
1 1 1    8   39    0 o   90.487   0.9518  7962.80  157.464  7980.06  192.766  7928.18  272.983   90.648   1.0955   90.326   1.5569 0.3222580 1.903683 
1 1 1    8   39    1 o   71.783   0.8655  5045.72  112.362  5119.37  136.607  4891.69  197.562   72.609   0.9692   70.956   1.4343 1.652603 1.731087 
1 1 1    8   39    2 o   39.671   0.8509  1578.81   59.877  1660.81   72.440  1401.96  106.387   41.357   0.9023   37.986   1.4428 3.371708 1.701713 
1 1 1    8   39    3 o   76.188   0.8788  5657.69  121.471  5692.68  147.775  5584.77  213.300   76.564   0.9943   75.812   1.4494 0.7521744 1.757663 
1 1 1    8   39    4 o   83.100   0.9274  6656.16  138.715  6569.22  166.811  6851.05  249.751   82.243   1.0449   83.958   1.5324 -1.714645 1.854746 
1 1 1    8   39    5 o   96.457   0.9864  8953.31  173.783  8787.47  211.480  9298.17  304.961   95.113   1.1454   97.800   1.6063 -2.687134 1.972892 
1 1 1    8   39    6 o  132.281   1.2225 17012.61  297.047 17007.93  365.186 17021.76  510.666  132.293   1.4220  132.268   1.9889 0.2491760E-01 2.444989 
1 1 1    8   39    7 o   50.502   0.7924  2491.08   73.655  2521.18   91.029  2434.01  125.347   50.953   0.9203   50.051   1.2901 0.9016304 1.584760 
1 1 1    8   39    8 f   86.297   0.9447  7146.75  148.282  6985.12  179.573  7493.14  262.893   84.800   1.0909   87.795   1.5426 -2.994530 1.889334 
1 1 1    8   39    9 o   65.675   0.8582  4194.26  102.502  4200.79  124.835  4180.74  179.583   65.766   0.9778   65.584   1.4106 0.1813965 1.716372 
1 1 1    8   39   10 o   74.666   0.8950  5351.27  123.096  5213.17  150.863  5626.35  212.920   73.256   1.0609   76.076   1.4418 -2.819679 1.790047 
1 1 1    8   39   11 o   39.737   0.9216  1529.55   67.376  1518.25   82.818  1551.66  115.863   39.530   1.0793   39.944   1.4943 -0.4138527 1.843268 
1 1 1    8   39   12 o   33.955   1.0531  1104.49   65.684  1070.90   80.185  1172.99  114.518   33.193   1.2445   34.718   1.6992 -1.524773 2.106208 
1 1 1    8   39   13 o   19.500   1.7245  362.942   63.483  337.430   79.737  407.108  104.912   18.597   2.2088   20.403   2.6489 -1.806572 3.449008 
1 1 1    8   39   14 o   81.972   1.0006  6546.25  151.035  6567.80  186.336  6504.96  257.888   82.198   1.1678   81.746   1.6252 0.4523468 2.001240 
1 1 1    8   39   15 o   45.242   0.9606  1986.40   80.236  1975.63   99.056  2006.97  136.823   45.080   1.1320   45.404   1.5524 -0.3237724 1.921274 
1 1 1    8   39   16 o   32.348   1.1924  1036.84   68.969  1064.86   83.367  976.073  122.773   33.080   1.2983   31.615   2.0005 1.464958 2.384845 
1 1 1    8   39   17 o   28.205   1.2008  768.298   65.130  719.593   85.422  835.925  100.658   27.157   1.6204   29.254   1.7725 -2.097717 2.401590 
1 1 1    8   39   18 o   24.794   1.4604  597.369   66.954  585.114   82.539  620.948  114.491   24.463   1.7381   25.126   2.3474 -0.6625366 2.920863 
1 1 1    8   39   19 o   33.246   1.0925  1079.84   67.377  1077.93   83.739  1083.35  113.468   33.240   1.2978   33.253   1.7578 -0.1259613E-01 2.184999 
1 1 1    8   39   20 o   69.860   0.9402  4724.93  121.502  4628.96  149.834  4909.23  207.635   68.899   1.1203   70.820   1.5104 -1.920975 1.880484 
1 1 1    8   39   21 o   70.631   0.9730  4930.92  127.149  5035.04  158.504  4742.99  212.951   71.792   1.1374   69.470   1.5791 2.321449 1.946083 
1 1 1    8   39   22 o   18.455   2.0517  329.747   69.568  247.282   87.109  474.966  115.595   15.294   3.0412   21.616   2.7549 -6.321720 4.103421 
1 1 1    8   39   23 o   47.748   0.9933  2209.25   89.168  2109.41  111.766  2384.06  147.894   46.361   1.2419   49.136   1.5506 -2.774723 1.986597 
1 1 1    8   39   24 o   36.957   1.1999  1355.22   82.708  1344.98  103.428  1373.39  137.745   36.889   1.4444   37.024   1.9166 -0.1350670 2.399880 
1 1 1    8   39   25 o   18.018   2.3542  340.884   79.293  270.900  101.122  452.616  127.771   15.524   3.4456   20.512   3.2090 -4.987626 4.708435 
1 1 1    8   40    0 o   76.814   0.8846  5726.58  123.579  5716.72  150.389  5747.07  216.854   76.724   1.0098   76.904   1.4526 -0.1798553 1.769108 
1 1 1    8   40    1 o   23.939   1.3487  554.926   61.559  544.701   79.540  570.198   97.210   23.669   1.7312   24.208   2.0686 -0.5386658 2.697439 
1 1 1    8   40    2 o   66.105   0.8427  4253.97   99.667  4268.37  119.754  4221.54  179.784   66.298   0.9305   65.912   1.4052 0.3864822 1.685323 
1 1 1    8   40    3 o   39.386   0.8110  1492.13   58.009  1465.98   70.226  1548.29  102.921   38.854   0.9311   39.919   1.3282 -1.064899 1.622055 
1 1 1    8   40    4 o   31.507   1.0131  945.380   55.366  922.612   64.680  1007.81  107.099   30.820   1.0811   32.194   1.7137 -1.374180 2.026230 
1 1 1    8   40    5 o   69.101   0.8558  4721.34  107.638  4888.14  132.379  4395.91  184.906   70.946   0.9612   67.257   1.4163 3.689537 1.711672 
1 1 1    8   40    6 o   61.426   0.8372  3670.84   93.170  3680.46  113.105  3650.54  164.334   61.561   0.9465   61.291   1.3812 0.2707443 1.674405 
1 1 1    8   40    7 o   56.049   0.8151  3011.44   82.875  2941.15  100.094  3164.68  147.788   55.032   0.9370   57.067   1.3341 -2.035522 1.630260 
1 1 1    8   40    8 o   79.519   0.9280  6111.13  133.931  6050.83  162.355  6239.56  236.943   78.925   1.0597   80.112   1.5236 -1.187035 1.855924 
1 1 1    8   40    9 o   95.319   1.0259  8722.60  177.746  8526.47  215.135  9144.43  315.504   93.677   1.1831   96.960   1.6763 -3.282875 2.051727 
1 1 1    8   40   10 o   84.856   0.9758  7001.05  151.408  7002.81  185.308  6997.52  262.612   84.895   1.1245   84.817   1.5950 0.7859802E-01 1.951545 
1 1 1    8   40   11 o   48.959   0.8470  2284.86   77.176  2179.97   95.334  2484.31  131.460   47.368   1.0368   50.550   1.3397 -3.181538 1.694025 
1 1 1    8   40   12 o   25.837   1.3173  660.229   62.982  685.593   78.890  615.649  104.590   26.546   1.5309   25.127   2.1443 1.418983 2.634688 
1 1 1    8   40   13 o   23.737   1.4398  516.701   64.180  423.467   79.451  691.788  108.878   20.843   1.9637   26.631   2.1061 -5.788521 2.879544 
1 1 1    8   40   14 o   37.329   0.9987  1343.21   70.959  1295.09   91.028  1417.74  113.289   36.492   1.2850   38.165   1.5292 -1.673035 1.997400 
1 1 1    8   40   15 o   53.988   0.9118  2799.36   89.426  2735.27  108.172  2937.74  158.940   53.046   1.0505   54.931   1.4906 -1.885723 1.823549 
1 1 1    8   40   16 o   51.139   0.9365  2548.34   88.153  2552.60  108.668  2540.15  150.751   51.228   1.0928   51.051   1.5212 0.1766815 1.873039 
1 1 1    8   40   17 o   27.191   1.2582  739.894   64.286  807.026   83.588  642.693  100.581   28.764   1.4970   25.617   2.0227 3.147259 2.516402 
1 1 1    8   40   18 o   13.013   2.4953  178.660   63.004  191.177   77.258  153.808  108.858   13.612   3.0043   12.414   3.9851 1.198177 4.990683 
1 1 1    8   40   19 o   32.467   1.1295  993.149   68.902  889.560   85.525  1184.72  116.306   30.168   1.4604   34.767   1.7233 -4.599205 2.258936 
1 1 1    8   40   20 o   29.208   1.1868  831.360   66.752  787.756   88.101  890.130  102.281   28.332   1.6019   30.084   1.7514 -1.752314 2.373546 
1 1 1    8   40   21 o   47.797   0.9716  2248.38   85.904  2265.90  106.690  2216.08  144.852   48.141   1.1417   47.454   1.5725 0.6872025 1.943241 
1 1 1    8   40   22 o   42.932   1.0316  1800.24   81.836  1771.47  100.930  1855.45  139.819   42.520   1.2228   43.344   1.6618 -0.8238602 2.063179 
1 1 1    8   40   23 o   14.301   2.5612  229.082   69.356  237.820   86.007  212.834  117.281   14.874   3.0801   13.727   4.0928 1.147116 5.122303 
1 1 1    8   40   24 o   33.390   1.2870  1102.69   80.846  1064.47  101.711  1168.27  133.237   32.727   1.6010   34.053   2.0156 -1.326042 2.574078 
1 1 1    8   40   25 o   21.436   2.0461  494.574   81.539  512.538  103.246  464.800  132.924   22.260   2.3894   20.613   3.3220 1.646959 4.092108 
1 1 1    8   41    0 o   88.936   0.9723  7768.37  157.510  7931.64  193.089  7443.64  272.309   90.366   1.1007   87.506   1.6031 2.860184 1.944630 
1 1 1    8   41    1 o   68.597   0.8362  4505.46  103.172  4400.83  123.695  4744.65  187.028   67.318   0.9466   69.877   1.3788 -2.558754 1.672469 
1 1 1    8   41    2 o   8.6410   2.3411   51.546   51.292   60.716   59.855   26.200   99.513   8.4174   2.9571   8.8646   3.6303 -0.4471865 4.682231 
1 1 1    8   41    3 o   71.070   0.8680  4927.75  112.031  4966.37  136.471  4847.94  196.181   71.511   0.9831   70.629   1.4309 0.8815079 1.736080 
1 1 1    8   41    4 o   39.910   0.8873  1584.04   63.992  1653.74   78.390  1444.81  110.791   41.265   0.9786   38.555   1.4803 2.709869 1.774555 
1 1 1    8   41    5 o  109.931   1.1176 11664.05  224.666 11500.33  274.029 11999.74  392.388  108.792   1.2976  111.070   1.8199 -2.277603 2.235146 
1 1 1    8   41    6 o  142.087   1.2757 19638.52  335.535 19638.07  416.063 19639.34  567.452  142.132   1.5080  142.041   2.0580 0.9112549E-01 2.551379 
1 1 1    8   41    7 o  166.499   1.4169 27078.06  432.606 27272.08  531.946 26699.10  743.424  167.464   1.6364  165.535   2.3136 1.928726 2.833780 
1 1 1    8   41    8 o   75.980   0.9148  5516.22  125.982  5355.24  151.860  5871.56  225.624   74.248   1.0536   77.712   1.4957 -3.463280 1.829532 
1 1 1    8   41    9 o   96.647   1.0241  9011.75  181.644  8870.04  222.270  9296.68  315.177   95.539   1.1985   97.755   1.6609 -2.215744 2.048191 
1 1 1    8   41   10 o   24.365   1.3404  570.360   60.864  551.412   75.517  605.485  102.817   23.806   1.6342   24.924   2.1251 -1.118441 2.680801 
1 1 1    8   41   11 o   75.707   0.9432  5532.29  129.489  5461.34  156.730  5684.88  229.839   74.970   1.0770   76.443   1.5489 -1.473259 1.886499 
1 1 1    8   41   12 o   8.1105   2.3981   14.975   60.758   21.926   74.705   1.3930  104.423   7.7286   3.1529   8.4925   3.6143 -0.7639432 4.796298 
1 1 1    8   41   13 f  103.796   1.1767 10469.38  223.668 10427.55  273.884 10553.16  387.553  103.540   1.3627  104.052   1.9187 -0.5120773 2.353393 
1 1 1    8   41   14 o   84.447   1.0179  6903.09  157.313  6829.65  192.184  7052.24  273.861   83.808   1.1813   85.087   1.6581 -1.279411 2.035853 
1 1 1    8   41   15 o   24.263   1.5590  582.033   69.800  596.510   86.840  555.610  117.323   24.725   1.8093   23.801   2.5393 0.9237461 3.117973 
1 1 1    8   41   16 o   47.265   0.9487  2177.00   81.893  2178.12  100.119  2174.73  142.352   47.314   1.0901   47.217   1.5531 0.9661484E-01 1.897476 
1 1 1    8   41   17 o   57.694   0.8984  3272.04   96.205  3344.11  120.374  3144.60  160.064   58.616   1.0579   56.772   1.4524 1.844959 1.796873 
1 1 1    8   41   18 o   56.264   0.9129  3132.91   94.863  3241.63  118.450  2938.45  158.413   57.693   1.0577   54.836   1.4882 2.856087 1.825743 
1 1 1    8   41   19 o   35.531   1.0846  1263.99   70.034  1321.63   86.318  1152.94  119.806   36.802   1.2083   34.261   1.8014 2.541191 2.169130 
1 1 1    8   41   20 o   12.682   2.1652  174.011   60.373  273.319   80.717   47.904   90.958   16.523   2.5166   8.8411   3.5240 7.681542 4.330385 
1 1 1    8   41   21 o   29.797   1.2541  862.651   70.123  819.211   87.583  940.224  117.041   28.834   1.5648   30.760   1.9601 -1.925636 2.508115 
1 1 1    8   41   22 o   15.490   2.4489  244.824   70.091  193.511   87.368  337.487  117.406   13.350   3.3707   17.631   3.5533 -4.280338 4.897706 
1 1 1    8   41   23 o   36.980   1.1538  1325.49   78.176  1264.00   94.948  1454.93  137.748   35.803   1.3661   38.158   1.8597 -2.354614 2.307541 
1 1 1    8   41   24 o   19.981   2.0400  399.604   77.123  326.845   96.923  525.188  127.336   17.652   2.8285   22.309   2.9403 -4.656950 4.079957 
1 1 1    8   41   25 o   35.213   1.3231  1269.32   87.450  1318.71  111.872  1191.72  140.221   36.306   1.5874   34.120   2.1171 2.186481 2.646116 
1 1 1    8   42    0 o   55.481   0.8139  2962.70   80.023  2923.93   95.071  3056.92  148.212   54.873   0.8925   56.088   1.3613 -1.215416 1.627789 
1 1 1    8   42    1 o   35.135   0.9870  1170.12   59.449  1138.29   68.922  1262.61  117.492   34.234   1.0371   36.035   1.6796 -1.801163 1.974036 
1 1 1    8   42    2 o   59.038   0.8277  3371.16   88.514  3345.20  107.158  3426.89  157.036   58.691   0.9406   59.384   1.3623 -0.6936913 1.655421 
1 1 1    8   42    3 o   45.512   0.8577  1948.49   68.666  1867.14   80.640  2163.06  130.960   43.847   0.9474   47.176   1.4300 -3.329170 1.715404 
1 1 1    8   42    4 o   86.537   1.0888  7284.43  182.708  7385.86  253.626  7175.02  263.430   87.167   1.4989   85.907   1.5797 1.260376 2.177656 
1 1 1    8   42    5 o   65.716   0.8676  4203.40  102.532  4215.67  123.694  4176.44  183.297   65.883   0.9672   65.549   1.4405 0.3336334 1.735105 
1 1 1    8   42    6 o  117.847   1.1493 13601.85  250.883 13835.49  312.704 13179.79  420.296  119.313   1.3501  116.381   1.8604 2.932007 2.298698 
1 1 1    8   42    7 o  151.245   1.3315 22326.53  374.220 22483.87  467.002 22044.22  625.544  152.053   1.5822  150.436   2.1421 1.616104 2.663066 
1 1 1    8   42    8 f   79.488   0.9509  6163.27  137.729  6204.03  168.258  6080.51  239.768   79.910   1.0847   79.067   1.5622 0.8424606 1.901834 
1 1 1    8   42    9 o   25.809   1.3151  655.196   60.682  665.854   73.121  631.614  108.762   26.167   1.4395   25.452   2.2013 0.7146549 2.630243 
1 1 1    8   42   10 o   73.557   0.9185  5263.86  123.613  5271.70  151.428  5248.20  214.009   73.659   1.0590   73.455   1.5009 0.2037888 1.836901 
1 1 1    8   42   11 o   23.987   1.4098  551.498   63.131  528.015   78.357  594.942  106.577   23.285   1.7336   24.690   2.2238 -1.404793 2.819645 
1 1 1    8   42   12 o   62.726   0.8954  3853.46  104.138  3921.71  129.966  3731.03  174.058   63.526   1.0539   61.927   1.4479 1.598030 1.790885 
1 1 1    8   42   13 o   64.275   0.9224  4028.27  109.129  4049.73  134.649  3987.19  186.296   64.547   1.0746   64.002   1.4995 0.5447617 1.844807 
1 1 1    8   42   14 o   19.112   1.8640  359.562   66.768  363.501   84.387  352.969  109.182   19.279   2.2549   18.945   2.9688 0.3337631 3.728035 
1 1 1    8   42   15 o   36.434   1.1193  1289.14   74.715  1278.06   91.439  1311.40  129.606   36.228   1.3002   36.640   1.8222 -0.4119453 2.238541 
1 1 1    8   42   16 o   62.286   0.9173  3788.49  105.590  3808.01  130.859  3752.05  178.759   62.554   1.0777   62.019   1.4848 0.5352097 1.834698 
1 1 1    8   42   17 o   59.953   0.9088  3463.30  100.305  3376.90  122.908  3635.60  173.567   58.889   1.0752   61.018   1.4654 -2.128864 1.817503 
1 1 1    8   42   18 o   34.053   1.1139  1149.47   70.109  1185.38   87.546  1085.27  117.063   34.850   1.2941   33.256   1.8133 1.593281 2.227771 
1 1 1    8   42   19 o   29.256   1.2425  807.546   68.146  719.276   84.257  974.489  115.874   27.071   1.6034   31.440   1.8986 -4.368750 2.485068 
1 1 1    8   42   20 o   10.158   2.1701   91.476   58.831  192.128   77.301 -47.0681   90.692   13.485   3.0273   6.8305   3.1100 6.654043 4.340155 
1 1 1    8   42   21 o   33.962   1.1277  1106.22   71.402  1031.94   88.098  1248.44  121.895   32.407   1.4004   35.517   1.7680 -3.109543 2.255441 
1 1 1    8   42   22 o   22.076   1.7908  519.307   70.544  566.630   87.148  429.368  120.142   23.837   1.8834   20.315   3.0465 3.521353 3.581691 
1 1 1    8   42   23 o   8.7170   2.5683   39.617   71.164   61.148   87.386  -2.7788  122.620   8.8606   3.4786   8.5735   3.7795 0.2871084 5.136647 
1 1 1    8   42   24 o   24.022   1.7472  614.889   77.232  665.218   97.937  532.116  125.598   25.638   1.9679   22.407   2.8876 3.231163 3.494430 
1 1 1    8   43    0 o  161.821   1.4030 25463.44  419.139 25420.47  517.930 25544.98  713.485  161.689   1.6502  161.953   2.2695 -0.2645569 2.806003 
1 1 1    8   43    1 o   62.378   0.8559  3757.21   95.379  3721.87  114.102  3839.16  173.775   61.906   0.9495   62.850   1.4244 -0.9438934 1.711830 
1 1 1    8   43    2 o   69.663   0.8754  4696.59  109.731  4666.06  132.130  4764.46  196.988   69.313   0.9820   70.012   1.4494 -0.6995926 1.750786 
1 1 1    8   43    3 o   36.012   0.9689  1256.36   62.010  1250.44   73.977  1270.36  113.714   35.879   1.0622   36.145   1.6207 -0.2654381 1.937752 
1 1 1    8   43    4 o   72.635   0.8921  5122.20  117.741  5114.03  143.159  5139.26  206.986   72.561   1.0164   72.710   1.4665 -0.1491013 1.784278 
1 1 1    8   43    5 o   11.585   2.2000   83.264   55.463   3.3671   66.295  269.617  101.246   6.8601   2.8978   16.310   3.3110 -9.449789 4.400002 
1 1 1    8   43    6 o   26.592   1.1745  676.202   58.479  645.894   72.840  731.159   98.085   25.775   1.4558   27.409   1.8435 -1.634535 2.349026 
1 1 1    8   43    7 o   76.739   2.6592  5623.65  154.703  5609.65  157.809  5968.86  783.676   75.985   1.0699   77.493   5.2097 -1.507339 5.318400 
1 1 1    8   43    8 o   99.703   1.0945  9733.44  199.472  9862.14  244.868  9479.57  343.912  100.728   1.2523   98.679   1.7954 2.049278 2.189008 
1 1 1    8   43    9 o   64.457   0.8919  4034.13  105.404  4025.08  129.261  4052.08  182.093   64.365   1.0346   64.548   1.4533 -0.1836548 1.783887 
1 1 1    8   43   10 o   91.912   1.0470  8239.52  176.645  8281.56  217.320  8157.67  303.258   92.295   1.2130   91.529   1.7068 0.7668381 2.093940 
1 1 1    8   43   11 o   40.637   0.9615  1585.04   72.176  1539.67   88.682  1674.04  124.217   39.799   1.1479   41.475   1.5429 -1.675716 1.923028 
1 1 1    8   43   12 o   43.825   0.9290  1813.50   75.046  1703.95   91.411  2039.99  131.436   41.867   1.1248   45.783   1.4789 -3.916473 1.858034 
1 1 1    8   43   13 o   22.695   1.5240  494.613   65.261  468.663   82.141  539.033  107.467   21.917   1.9307   23.474   2.3584 -1.557627 3.047924 
1 1 1    8   43   14 o   74.200   1.1027  5365.43  158.805  5259.84  222.439  5475.19  226.794   73.455   1.5600   74.944   1.5589 -1.488876 2.205417 
1 1 1    8   43   15 o   37.880   1.0986  1414.60   76.418  1446.86   94.507  1353.67  129.884   38.543   1.2631   37.216   1.7979 1.327290 2.197236 
1 1 1    8   43   16 o   41.957   0.9916  1743.98   77.650  1822.44   98.505  1615.19  126.199   43.255   1.1732   40.659   1.5989 2.595810 1.983162 
1 1 1    8   43   17 f   37.088   1.0562  1354.21   72.222  1376.58   89.555  1312.59  122.143   37.571   1.2279   36.605   1.7189 0.9662399 2.112463 
1 1 1    8   43   18 o   24.062   1.4622  584.468   65.021  620.323   81.964  523.601  106.793   25.147   1.6791   22.978   2.3942 2.168699 2.924311 
1 1 1    8   43   19 o   6.9760   2.2009 -36.5990   63.109   14.924   78.410 -131.3631  106.339   7.5566   3.1696   6.3954   3.0546 1.161207 4.401890 
1 1 1    8   43   20 o   27.411   1.2091  736.929   63.385  711.501   82.231  774.156   99.497   26.869   1.5766   27.952   1.8337 -1.083405 2.418277 
1 1 1    8   43   21 o   12.749   2.4484  185.772   64.602  231.327   81.718  109.858  105.490   14.774   2.9527   10.724   3.9065 4.049365 4.896896 
1 1 1    8   43   22 o   20.967   1.8535  457.458   70.480  470.386   86.552  432.012  121.429   21.631   2.0612   20.302   3.0811 1.329000 3.707033 
1 1 1    8   43   23 o   12.014   2.7862  159.181   72.772  151.065   90.468  174.058  122.490   11.637   3.6200   12.392   4.2365 -0.7553864 5.572427 
1 1 1    8   43   24 o   9.8166   2.7126   65.376   75.405   7.8326   94.780  164.605  124.462   7.7177   3.3646   11.916   4.2560 -4.197864 5.425298 
1 1 1    8   44    0 o   61.621   0.8871  3719.59   96.390  3762.26  114.814  3617.70  177.412   62.239   0.9503   61.003   1.4982 1.236858 1.774171 
1 1 1    8   44    1 o   97.516   1.0364  9221.50  185.735  9174.15  228.174  9314.49  319.759   97.170   1.2097   97.862   1.6832 -0.6917114 2.072813 
1 1 1    8   44    2 o   29.954   1.1659  846.608   61.246  814.099   71.833  933.161  117.210   28.944   1.2785   30.963   1.9501 -2.019459 2.331812 
1 1 1    8   44    3 o   44.795   0.8837  1936.52   71.877  1912.54   87.109  1987.69  127.233   44.373   1.0113   45.218   1.4495 -0.8448219 1.767443 
1 1 1    8   44    4 o   13.330   2.2844  188.488   55.887  208.302   65.781  137.078  105.958   14.619   2.3181   12.040   3.9370 2.578277 4.568758 
1 1 1    8   44    5 o   50.712   0.8264  2407.31   74.503  2281.52   87.969  2726.44  140.119   48.466   0.9350   52.959   1.3630 -4.493370 1.652890 
1 1 1    8   44    6 o   40.653   0.9394  1596.53   68.326  1580.76   81.823  1632.85  124.184   40.336   1.0450   40.970   1.5615 -0.6337547 1.878882 
1 1 1    8   44    7 o   21.166   1.6959  464.655   60.622  498.357   71.650  379.746  113.726   22.632   1.6309   19.700   2.9740 2.932201 3.391831 
1 1 1    8   44    8 o   32.601   1.1274  1021.74   66.154  1001.76   79.439  1066.94  119.493   32.101   1.2748   33.100   1.8597 -0.9985275 2.254719 
1 1 1    8   44    9 o   9.0593   2.4551   54.696   59.070   52.900   74.908   57.647   96.057   8.6328   3.2639   9.4859   3.6685 -0.8530407 4.910283 
1 1 1    8   44   10 o   49.127   0.9211  2358.58   82.008  2379.84   99.752  2314.23  144.046   49.487   1.0384   48.767   1.5216 0.7206688 1.842179 
1 1 1    8   44   11 o   54.236   0.8840  2869.78   87.345  2887.55  106.673  2833.63  152.154   54.510   1.0081   53.963   1.4525 0.5473824 1.768090 
1 1 1    8   44   12 f   35.669   1.0513  1233.26   70.182  1218.83   87.990  1258.50  116.355   35.397   1.2806   35.941   1.6678 -0.5435715 2.102689 
1 1 1    8   44   13 o   25.538   1.3870  631.937   67.413  611.977   86.544  662.735  107.502   25.043   1.7802   26.032   2.1274 -0.9882984 2.773990 
1 1 1    8   44   14 o   30.206   1.2828  929.895   69.940  1011.23   86.795  779.278  118.109   32.214   1.3880   28.199   2.1577 4.014416 2.565542 
1 1 1    8   44   15 o   37.084   1.0929  1359.93   74.134  1396.69   91.425  1289.35  126.674   37.863   1.2439   36.305   1.7974 1.557968 2.185868 
1 1 1    8   44   16 o   22.793   1.4689  512.797   62.898  519.267   79.809  502.190  102.183   23.022   1.7859   22.565   2.3328 0.4562073 2.937894 
1 1 1    8   44   17 o   43.748   0.9818  1886.12   79.515  1925.69   99.174  1814.92  133.052   44.441   1.1496   43.054   1.5920 1.386822 1.963678 
1 1 1    8   44   18 o   32.599   1.1397  1028.20   70.566  973.645   89.868  1115.93  113.961   31.520   1.4688   33.678   1.7432 -2.158384 2.279482 
1 1 1    8   44   19 o   29.758   1.2311  881.400   67.425  897.633   83.544  851.075  114.186   30.238   1.4233   29.279   2.0091 0.9591808 2.462149 
1 1 1    8   44   20 o   12.919   2.3568  166.602   60.656  104.726   77.813  262.432   96.837   10.173   3.3762   15.665   3.2892 -5.492419 4.713500 
1 1 1    8   44   21 o   18.862   1.8120  362.539   63.993  362.031   80.668  363.401  105.107   18.966   2.1911   18.758   2.8866 0.2084370 3.624004 
1 1 1    8   44   22 o   14.170   2.5761  203.827   70.598  137.757   87.306  328.642  119.998   11.234   3.5649   17.107   3.7196 -5.873111 5.152124 
1 1 1    8   44   23 o   23.612   1.7355  572.540   76.285  563.216   95.132  589.333  127.676   23.546   2.0813   23.677   2.7779 -0.1311378 3.471080 
1 1 1    8   45    0 o   22.092   1.3603  560.541   41.983  611.049   46.880  355.937   94.354   25.082   0.9628   19.102   2.5446 5.980099 2.720660 
1 1 1    8   45    1 o   29.757   1.2661  924.170   62.462  993.185   73.197  739.263  119.811   31.971   1.1794   27.544   2.2408 4.427444 2.532253 
1 1 1    8   45    2 o  109.180   1.1699 11552.50  232.117 11474.15  281.931 11717.36  408.951  108.650   1.3367  109.711   1.9202 -1.061089 2.339710 
1 1 1    8   45    3 o  128.077   1.2830 16040.82  301.453 16198.88  371.093 15734.13  516.907  129.068   1.4811  127.085   2.0953 1.983505 2.565972 
1 1 1    8   45    4 o   93.611   1.0572  8608.35  180.528  8780.42  221.565  8268.51  311.382   95.051   1.2008   92.172   1.7403 2.878731 2.114400 
1 1 1    8   45    5 o   42.786   0.9222  1798.83   69.484  1826.15   82.771  1733.61  127.866   43.356   0.9835   42.215   1.5604 1.141796 1.844435 
1 1 1    8   45    6 o   49.691   0.9140  2395.03   81.845  2386.28   98.748  2414.24  146.281   49.560   1.0264   49.821   1.5125 -0.2611694 1.827936 
1 1 1    8   45    7 o   36.121   1.0645  1251.56   69.514  1221.86   83.706  1317.56  124.783   35.454   1.2163   36.787   1.7474 -1.332832 2.129010 
1 1 1    8   45    8 o   93.770   1.0609  8514.42  181.321  8436.43  220.721  8676.27  317.985   93.153   1.2206   94.387   1.7355 -1.233780 2.121786 
1 1 1    8   45    9 o   46.211   0.9196  2054.26   78.268  2007.76   95.981  2146.53  135.216   45.452   1.0879   46.970   1.4830 -1.517872 1.839227 
1 1 1    8   45   10 o   62.198   0.9133  3781.32  104.005  3820.10  127.780  3705.19  179.021   62.694   1.0500   61.702   1.4947 0.9926300 1.826588 
1 1 1    8   45   11 o   39.068   1.0403  1493.59   75.357  1512.83   93.941  1458.86  126.209   39.440   1.2270   38.696   1.6802 0.7441750 2.080539 
1 1 1    8   45   12 o   58.017   0.8936  3252.75   96.101  3200.51  118.889  3351.23  163.234   57.371   1.0675   58.663   1.4334 -1.292030 1.787286 
1 1 1    8   45   13 o   38.946   1.1751  1480.27   88.827  1483.32  126.747  1477.33  124.524   38.983   1.6749   38.908   1.6487 0.7541656E-01 2.350252 
1 1 1    8   45   14 o   49.297   0.9435  2344.28   85.276  2296.50  104.146  2441.49  148.548   48.574   1.1045   50.019   1.5299 -1.445232 1.886948 
1 1 1    8   45   15 o   35.940   1.1061  1229.02   73.812  1154.79   90.691  1374.67  127.037   34.405   1.3579   37.475   1.7463 -3.069962 2.212164 
1 1 1    8   45   16 o   34.619   1.0960  1185.18   71.036  1224.08   90.178  1121.57  115.314   35.414   1.3118   33.824   1.7563 1.589874 2.192096 
1 1 1    8   45   17 o   34.834   1.1061  1162.92   71.650  1101.94   88.332  1280.22  122.510   33.571   1.3555   36.098   1.7484 -2.526321 2.212240 
1 1 1    8   45   18 o   19.517   1.6653  381.400   60.180  384.217   74.895  376.266  101.098   19.703   1.9582   19.331   2.6941 0.3713226 3.330607 
1 1 1    8   45   19 o   9.8136   2.5230   62.859   62.261   14.951   76.393  157.633  107.447   7.4293   3.1230   12.198   3.9634 -4.768547 5.045986 
1 1 1    8   45   20 o   25.604   1.3818  674.529   65.463  740.788   83.730  570.346  104.993   27.391   1.5747   23.816   2.2710 3.574373 2.763568 
1 1 1    8   45   21 o   17.143   1.9583  296.315   64.033  266.384   81.850  343.531  102.801   16.110   2.6174   18.176   2.9136 -2.066763 3.916574 
1 1 1    8   45   22 o   9.4339   2.5790   72.416   71.327  119.708   88.962 -12.7003  119.349   10.594   3.6105   8.2734   3.6836 2.320878 5.157995 
1 1 1    8   45   23 o   11.004   2.3916  124.617   74.779  246.077   93.394 -92.3304  124.819   14.741   3.3411   7.2669   3.4230 7.473798 4.783263 
1 1 1    8   46    0 o   71.905   0.8687  5054.82  100.335  5078.38  113.695  4971.86  213.328   72.313   0.8099   71.497   1.5371 0.8166046 1.737418 
1 1 1    8   46    1 o  137.911   1.3749 18567.09  345.344 18650.38  421.536 18397.07  602.237  138.465   1.5683  137.357   2.2587 1.108047 2.749747 
1 1 1    8   46    2 o   62.077   0.8976  3778.10  101.124  3838.71  123.391  3654.12  176.479   62.859   1.0112   61.296   1.4832 1.563465 1.795118 
1 1 1    8   46    3 o   63.986   0.9093  3956.39  104.021  3920.01  124.529  4040.38  189.211   63.521   1.0099   64.451   1.5123 -0.9297295 1.818551 
1 1 1    8   46    4 o   23.692   1.4334  603.810   58.247  702.666   71.596  410.304  100.169   26.883   1.3720   20.501   2.5171 6.382332 2.866705 
1 1 1    8   46    5 o   44.446   0.9323  1900.80   73.437  1872.83   87.217  1968.94  136.126   43.905   1.0233   44.988   1.5588 -1.082554 1.864680 
1 1 1    8   46    6 o   59.780   0.9034  3427.75   96.291  3358.28  114.733  3593.24  177.092   58.790   1.0054   60.771   1.5012 -1.980801 1.806753 
1 1 1    8   46    7 o   67.837   0.9154  4486.81  112.797  4508.88  137.342  4441.08  197.708   68.117   1.0387   67.557   1.5076 0.5594406 1.830777 
1 1 1    8   46    8 o   45.776   0.9033  2033.49   75.534  2025.57   92.261  2049.58  131.542   45.655   1.0410   45.897   1.4764 -0.2414513 1.806546 
1 1 1    8   46    9 o   66.395   1.0374  4279.03  133.483  4107.60  182.467  4476.40  195.783   64.971   1.4468   67.820   1.4871 -2.849129 2.074789 
1 1 1    8   46   10 o   40.533   0.9931  1592.57   75.038  1576.73   93.628  1621.02  125.468   40.266   1.1978   40.799   1.5842 -0.5321846 1.986109 
1 1 1    8   46   11 o   26.343   1.3391  696.176   64.818  742.550   81.262  615.062  107.472   27.609   1.5162   25.077   2.2078 2.532537 2.678296 
1 1 1    8   46   12 o   34.324   1.1337  1203.80   71.123  1352.23   90.383  962.414  115.258   37.269   1.2493   31.380   1.8922 5.889133 2.267390 
1 1 1    8   46   13 o   64.692   0.9179  4107.01  109.998  4179.53  137.150  3976.25  184.161   65.536   1.0781   63.848   1.4859 1.687988 1.835774 
1 1 1    8   46   14 o   30.523   1.2717  950.523   70.491  1039.79   88.153  792.226  117.389   32.647   1.3910   28.399   2.1294 4.247540 2.543456 
1 1 1    8   46   15 o   32.718   1.1666  1021.75   70.352  968.673   85.845  1130.32  122.770   31.495   1.4041   33.942   1.8633 -2.447302 2.333170 
1 1 1    8   46   16 o   30.962   1.1958  984.239   67.589  1102.16   85.724  790.495  109.882   33.592   1.3146   28.332   1.9980 5.259842 2.391682 
1 1 1    8   46   17 o   37.514   1.0449  1371.86   72.390  1353.37   89.264  1407.38  123.721   37.206   1.2360   37.823   1.6851 -0.6173096 2.089769 
1 1 1    8   46   18 o   19.854   1.7542  412.316   62.870  447.693   78.179  347.557  105.775   21.253   1.8950   18.455   2.9526 2.798357 3.508423 
1 1 1    8   46   19 o   29.645   1.2667  876.550   70.192  894.314   88.663  846.722  114.891   30.135   1.5157   29.155   2.0301 0.9796791 2.533487 
1 1 1    8   46   20 o   20.026   1.6852  399.962   64.170  375.816   81.868  438.433  103.336   19.323   2.1826   20.729   2.5681 -1.405882 3.370342 
1 1 1    8   46   21 o   10.473   2.4789  110.873   65.971  176.141   86.789   21.553  101.529   12.587   3.4495   8.3591   3.5609 4.228237 4.957740 
1 1 1    8   46   22 o   17.099   2.3096  298.930   73.268  228.159   91.211  427.658  123.014   14.256   3.3523   19.941   3.1779 -5.685609 4.619206 
1 1 1    8   47    0 o   40.768   0.8845  1617.61   54.573  1618.90   60.538  1612.05  126.076   40.830   0.7638   40.706   1.5955 0.1233482 1.768937 
1 1 1    8   47    1 o   37.162   1.0611  1409.85   69.012  1513.06   83.259  1183.29  123.359   39.462   1.0869   34.863   1.8228 4.598625 2.122269 
1 1 1    8   47    2 o   75.800   0.9625  5518.62  130.192  5417.52  155.293  5757.76  238.834   74.671   1.0714   76.929   1.5993 -2.258560 1.925016 
1 1 1    8   47    3 o   87.101   1.0113  7304.28  159.263  7178.74  192.076  7580.48  284.906   85.946   1.1513   88.256   1.6630 -2.310120 2.022626 
1 1 1    8   47    4 o   50.274   0.8889  2473.97   79.310  2498.92   94.878  2416.08  144.504   50.716   0.9637   49.833   1.4938 0.8825378 1.777712 
1 1 1    8   47    5 o   34.187   1.1433  1111.09   69.385  1073.92   82.166  1203.47  129.537   33.233   1.2737   35.141   1.8989 -1.908268 2.286531 
1 1 1    8   47    6 o   31.019   1.2276  943.954   68.113  955.153   82.014  919.061  122.281   31.339   1.3482   30.700   2.0519 0.6385880 2.455158 
1 1 1    8   47    7 o   63.057   0.8863  3828.69  101.954  3758.49  123.942  3975.59  179.299   62.191   1.0267   63.923   1.4449 -1.732864 1.772545 
1 1 1    8   47    8 o   55.403   0.8763  2994.85   89.016  3015.39  109.425  2954.68  153.061   55.703   1.0120   55.104   1.4309 0.5987549 1.752613 
1 1 1    8   47    9 o  142.826   1.4552 19957.57  383.163 20056.30  473.604 19770.50  651.906  143.468   1.7006  142.184   2.3619 1.284317 2.910448 
1 1 1    8   47   10 o   17.255   2.1160  311.344   64.346  339.005   79.774  259.834  108.861   18.617   2.2074   15.893   3.6108 2.724449 4.232046 
1 1 1    8   47   11 o   25.566   1.3930  633.442   65.843  620.770   81.156  657.846  112.625   25.223   1.6575   25.909   2.2393 -0.6859913 2.786024 
1 1 1    8   47   12 o   7.2788   2.3211 -44.8976   66.077 -51.4628   81.938 -32.6884  111.740   6.4573   2.9463   8.1003   3.5875 -1.642922 4.642291 
1 1 1    8   47   13 f   31.031   1.1596  925.970   67.644  883.622   84.750  1000.30  112.282   30.092   1.4509   31.970   1.8093 -1.877682 2.319160 
1 1 1    8   47   14 o   34.166   1.1136  1151.46   70.574  1176.66   88.254  1106.76  117.536   34.728   1.3091   33.603   1.8019 1.124931 2.227252 
1 1 1    8   47   15 o   27.194   1.3069  697.333   65.394  641.312   79.260  816.766  115.728   25.592   1.5955   28.795   2.0704 -3.203239 2.613804 
1 1 1    8   47   16 o   20.710   1.6665  435.745   64.038  462.537   81.162  391.555  104.235   21.653   1.9309   19.766   2.7166 1.886482 3.332904 
1 1 1    8   47   17 o   10.510   2.4454  113.675   60.920  151.312   74.993   40.652  104.459   11.949   3.1780   9.0713   3.7177 2.877409 4.890871 
1 1 1    8   47   18 o   9.1138   2.4854   47.159   61.917   8.2455   77.447  116.087  103.075   7.3125   3.1124   10.915   3.8758 -3.602594 4.970838 
1 1 1    8   47   19 o   7.4186   2.2897 -15.0649   65.228   35.464   82.473 -99.4699  106.592   8.1325   3.3147   6.7047   3.1597 1.427752 4.579419 
1 1 1    8   47   20 o   25.629   1.3819  639.733   67.165  577.188   84.808  744.968  110.007   24.051   1.8165   27.207   2.0829 -3.156273 2.763737 
1 1 1    8   47   21 o   10.497   2.6131  108.332   65.980   76.251   85.658  155.136  103.464   9.2048   3.4878   11.789   3.8921 -2.584174 5.226265 
1 1 1    8   47   22 o   18.848   2.1053  381.241   72.875  370.816   92.253  398.543  118.849   18.847   2.5215   18.849   3.3720 -0.1375198E-02 4.210543 
1 1 1    8   48    0 o   61.556   0.8840  3652.30   94.896  3612.84  111.585  3755.42  180.384   60.982   0.9426   62.130   1.4957 -1.147785 1.767906 
1 1 1    8   48    1 o   58.778   0.9149  3297.97   95.339  3212.54  112.971  3509.37  177.717   57.500   1.0121   60.055   1.5245 -2.555511 1.829851 
1 1 1    8   48    2 o   38.503   1.0148  1448.46   71.199  1460.61   87.032  1423.89  123.800   38.764   1.1566   38.242   1.6677 0.5211449 2.029504 
1 1 1    8   48    3 o   8.4153   2.4346   18.293   58.135   2.7222   68.847   56.978  108.518   6.9587   2.9470   9.8719   3.8761 -2.913175 4.869242 
1 1 1    8   48    4 o   29.386   1.3121  866.175   65.560  894.881   76.844  789.392  125.675   30.336   1.3049   28.437   2.2767 1.899025 2.624166 
1 1 1    8   48    5 f   68.158   0.9297  4456.21  114.576  4352.76  138.005  4685.70  205.549   66.925   1.0623   69.390   1.5260 -2.465286 1.859324 
1 1 1    8   48    6 o  110.191   1.1854 11881.08  239.632 11999.58  295.014 11651.27  410.836  111.065   1.3684  109.318   1.9360 1.746864 2.370783 
1 1 1    8   48    7 o   67.330   0.9277  4448.67  114.482  4531.17  141.119  4289.86  195.795   68.277   1.0648   66.384   1.5194 1.892845 1.855345 
1 1 1    8   48    8 o   79.485   0.9861  6184.22  144.811  6266.80  179.783  6031.69  244.352   80.279   1.1537   78.691   1.5996 1.587677 1.972263 
1 1 1    8   48    9 o   13.351   2.5740  179.352   66.843  170.391   84.194  194.631  109.935   12.894   3.3378   13.807   3.9193 -0.9125090 5.147981 
1 1 1    8   48   10 o   73.788   0.9519  5284.77  127.751  5251.06  155.307  5355.31  224.649   73.470   1.0890   74.106   1.5617 -0.6359634 1.903856 
1 1 1    8   48   11 o   23.948   1.4696  529.447   65.298  459.964   79.445  674.126  114.639   21.685   1.8873   26.210   2.2532 -4.524506 2.939183 
1 1 1    8   48   12 f   19.360   1.7550  360.435   63.913  335.336   79.835  405.232  106.655   18.473   2.2263   20.247   2.7137 -1.773876 3.510059 
1 1 1    8   48   13 f   53.986   0.9043  2891.77   90.019  3011.14  112.406  2678.30  150.313   55.610   1.0413   52.362   1.4788 3.248428 1.808652 
1 1 1    8   48   14 o   25.041   1.3957  630.834   64.282  665.879   80.444  568.921  106.924   26.083   1.5888   24.000   2.2951 2.082647 2.791366 
1 1 1    8   48   15 f   20.772   1.6464  400.953   63.987  330.342   78.705  538.616  109.894   18.266   2.2197   23.277   2.4320 -5.011791 3.292732 
1 1 1    8   48   16 o   24.017   1.4449  588.875   64.845  654.186   84.334  494.412  101.424   25.775   1.6855   22.259   2.3473 3.516691 2.889801 
1 1 1    8   48   17 o   14.978   2.3085  257.045   64.499  308.127   80.464  165.221  107.882   17.518   2.3662   12.439   3.9644 5.078579 4.616911 
1 1 1    8   48   18 o   18.481   2.2418  364.095   77.026  314.982  115.151  403.866  103.621   17.033   3.5956   19.929   2.6785 -2.896748 4.483605 
1 1 1    8   48   19 o   33.402   1.1830  1124.95   72.564  1166.63   90.208  1048.54  122.144   34.420   1.3501   32.383   1.9431 2.036411 2.366066 
1 1 1    8   48   20 o   13.478   2.3086  218.596   67.331  308.661   85.337   70.066  109.589   17.328   2.5370   9.6283   3.8578 7.699583 4.617249 
1 1 1    8   48   21 o   10.484   2.6163  110.812   65.864   81.637   85.230  154.066  103.777   9.2977   3.4888   11.671   3.8999 -2.373337 5.232694 
1 1 1    8   49    0 o   26.150   1.2821  631.624   49.635  613.889   54.353  720.682  121.798   25.132   1.1141   27.168   2.3095 -2.036474 2.564154 
1 1 1    8   49    1 o   47.845   0.8165  2193.43   63.190  2168.38   71.519  2282.59  134.919   47.250   0.7797   48.439   1.4349 -1.189350 1.633036 
1 1 1    8   49    2 o   70.864   0.9492  4922.57  122.784  5000.08  150.615  4768.98  212.004   71.728   1.0817   70.001   1.5602 1.726639 1.898494 
1 1 1    8   49    3 o  154.674   1.5694 23438.01  457.167 23717.97  582.009 22986.99  738.720  155.993   1.9220  153.355   2.4815 2.638016 3.138812 
1 1 1    8   49    4 o   29.176   1.3069  856.448   67.183  897.885   80.826  763.824  120.840   30.381   1.3705   27.970   2.2256 2.411200 2.613772 
1 1 1    8   49    5 o   84.752   1.0013  7024.08  156.370  7101.78  193.456  6877.63  265.582   85.466   1.1661   84.038   1.6280 1.427856 2.002529 
1 1 1    8   49    6 o   70.957   0.9164  4946.79  120.314  5066.07  150.057  4732.06  201.328   72.192   1.0708   69.722   1.4875 2.469826 1.832862 
1 1 1    8   49    7 o   52.356   0.8983  2628.43   86.270  2553.05  105.198  2783.22  150.754   51.245   1.0575   53.467   1.4525 -2.221313 1.796693 
1 1 1    8   49    8 o   29.550   1.2652  858.616   67.973  871.110   83.064  833.286  118.265   29.907   1.4308   29.193   2.0869 0.7133961 2.530326 
1 1 1    8   49    9 o   27.712   1.3282  728.275   66.252  693.516   79.092  810.025  121.295   26.669   1.5278   28.755   2.1731 -2.085546 2.656366 
1 1 1    8   49   10 o   44.753   0.9729  1957.09   78.048  1965.43   93.959  1938.53  140.175   44.943   1.0770   44.563   1.6204 0.3799019 1.945701 
1 1 1    8   49   11 o   11.025   2.6220  109.316   63.355   93.934   77.421  140.496  110.230   9.9950   3.3683   12.056   4.0192 -2.060896 5.243989 
1 1 1    8   49   12 o   46.078   0.9289  2061.23   78.172  2042.22   95.358  2100.17  136.500   45.794   1.0727   46.362   1.5167 -0.5677185 1.857744 
1 1 1    8   49   13 o   27.549   1.2997  756.887   65.178  781.612   80.166  708.672  111.948   28.279   1.4604   26.819   2.1504 1.460424 2.599379 
1 1 1    8   49   14 o   27.182   1.2963  715.410   66.088  685.373   82.595  768.862  110.180   26.441   1.6092   27.922   2.0328 -1.481560 2.592623 
1 1 1    8   49   15 o   29.635   1.2399  866.880   68.186  871.069   84.958  859.299  114.300   29.801   1.4686   29.468   1.9982 0.3326702 2.479813 
1 1 1    8   49   16 o   23.021   1.4614  527.390   63.711  527.732   81.691  526.859  101.789   23.093   1.8223   22.948   2.2850 0.1448364 2.922706 
1 1 1    8   49   17 o   6.1505   2.0617 -91.5930   62.958 -84.7533   78.497 -103.9275  105.413   5.6682   2.6834   6.6327   3.1308 -0.9645357 4.123421 
1 1 1    8   49   18 o   11.777   2.6065  140.319   65.155  106.481   82.182  197.581  106.907   10.223   3.4702   13.330   3.8901 -3.106893 5.213031 
1 1 1    8   49   19 o   44.259   1.0337  1938.24   84.050  1941.79  103.495  1931.38  144.047   44.450   1.1994   44.067   1.6839 0.3836327 2.067447 
1 1 1    8   49   20 o   29.937   1.3022  905.267   71.479  918.282   88.211  880.379  121.980   30.421   1.4938   29.453   2.1335 0.9676323 2.604474 
1 1 1    8   49   21 o   30.595   1.3169  933.923   76.501  888.852   97.531  1005.99  123.331   29.757   1.6885   31.433   2.0213 -1.675650 2.633713 
1 1 1    8   50    0 o   29.237   1.0567  850.629   50.224  866.920   57.409  797.494  103.680   29.869   0.9901   28.605   1.8672 1.263607 2.113458 
1 1 1    8   50    1 o   10.707   2.4690   97.375   47.359   92.258   51.726  123.900  117.764   9.5739   2.6782   11.841   4.1485 -2.266901 4.937901 
1 1 1    8   50    2 o   57.601   0.9404  3240.50   96.380  3260.45  115.401  3194.52  175.242   57.921   1.0264   57.282   1.5760 0.6393852 1.880758 
1 1 1    8   50    3 o   39.407   0.9973  1495.82   69.940  1473.44   83.319  1549.23  128.689   38.932   1.1025   39.882   1.6623 -0.9493523 1.994646 
1 1 1    8   50    4 o   20.910   1.7638  452.287   66.047  504.232   82.186  357.571  110.979   22.740   1.8618   19.080   2.9963 3.660141 3.527653 
1 1 1    8   50    5 o   16.731   2.0949  260.258   64.558  201.939   79.976  369.333  109.375   14.071   3.0185   19.391   2.9058 -5.319646 4.189809 
1 1 1    8   50    6 o   36.909   1.0573  1286.82   71.509  1212.06   86.605  1446.99  126.763   35.294   1.2641   38.524   1.6951 -3.230263 2.114557 
1 1 1    8   50    7 o   25.043   1.4710  606.450   66.770  594.171   80.668  633.166  118.990   24.679   1.6839   25.408   2.4126 -0.7287560 2.942085 
1 1 1    8   50    8 o   23.087   1.5984  527.237   66.363  535.004   80.350  510.567  117.712   23.403   1.7687   22.771   2.6630 0.6323910 3.196871 
1 1 1    8   50    9 o   35.617   1.0932  1226.36   70.178  1207.34   84.460  1268.77  126.128   35.209   1.2357   36.025   1.8036 -0.8154221 2.186338 
1 1 1    8   50   10 o   25.689   1.4290  619.781   67.883  563.596   82.610  736.594  119.117   24.002   1.7730   27.375   2.2415 -3.373222 2.858006 
1 1 1    8   50   11 f   22.321   1.6382  506.656   65.500  535.306   80.037  448.557  113.975   23.379   1.7636   21.263   2.7613 2.115995 3.276458 
1 1 1    8   50   12 o   7.9921   2.4130  -0.4528   63.624 -16.4867   79.097   28.939  107.091   6.9453   3.0494   9.0389   3.7405 -2.093564 4.826036 
1 1 1    8   50   13 o   31.852   1.1533  1018.91   67.304  1075.56   83.870  916.446  112.797   33.183   1.3020   30.521   1.9039 2.662546 2.306501 
1 1 1    8   50   14 o   25.521   1.3885  648.486   65.679  660.724   82.046  626.652  109.592   25.929   1.6301   25.112   2.2482 0.8171921 2.776950 
1 1 1    8   50   15 o   26.909   1.3451  709.976   66.832  694.400   82.266  740.209  114.614   26.559   1.5957   27.259   2.1660 -0.7007465 2.690300 
1 1 1    8   50   16 o   7.1568   2.1369 -38.5536   61.955   67.151   78.737 -210.3999  100.393   8.9518   3.3544   5.3618   2.6484 3.589921 4.273858 
1 1 1    8   50   17 o   12.913   2.5833  179.242   65.843  169.689   82.540  195.959  109.187   12.513   3.3369   13.313   3.9444 -0.7998343 5.166571 
1 1 1    8   50   18 o   35.097   1.1533  1245.89   74.653  1306.60   93.567  1139.55  123.836   36.426   1.3233   33.767   1.8892 2.658932 2.306559 
1 1 1    8   50   19 o   20.884   1.8306  426.695   71.553  367.017   88.088  542.439  122.677   18.939   2.3960   22.829   2.7683 -3.889734 3.661212 
1 1 1    8   50   20 o   14.175   2.5656  230.915   69.603  230.781   88.351  231.134  113.003   14.366   3.2448   13.984   3.9750 0.3819456 5.131206 
1 1 1    8   51    0 f   14.863   2.1918  191.177   49.956  173.204   54.953  276.737  119.899   13.319   2.1255   16.407   3.8337 -3.087889 4.383516 
1 1 1    8   51    1 o   57.238   0.8551  3163.08   78.034  3145.90   87.954  3226.61  169.135   56.907   0.7962   57.569   1.5135 -0.6611366 1.710155 
1 1 1    8   51    2 o   16.595   2.0294  277.400   61.392  284.426   77.639  265.678  100.288   17.053   2.3453   16.136   3.3126 0.9167557 4.058824 
1 1 1    8   51    3 o   44.078   0.8972  1839.87   72.717  1741.40   88.450  2045.23  127.730   42.322   1.0766   45.835   1.4356 -3.513226 1.794461 
1 1 1    8   51    4 o   36.522   1.0784  1284.56   71.446  1258.52   86.365  1341.02  127.168   35.965   1.2371   37.079   1.7668 -1.113255 2.156821 
1 1 1    8   51    5 o   50.420   0.9449  2507.47   86.353  2568.69  105.496  2383.19  150.324   51.394   1.0575   49.445   1.5662 1.948402 1.889731 
1 1 1    8   51    6 o   28.566   1.3532  827.889   67.625  872.755   81.127  725.732  122.416   29.930   1.3964   27.202   2.3183 2.727863 2.706381 
1 1 1    8   51    7 o   44.160   0.9786  1893.90   78.429  1882.13   95.165  1918.83  138.473   43.978   1.1147   44.342   1.6087 -0.3635597 1.957218 
1 1 1    8   51    8 o   55.680   0.9259  3033.92   93.164  3056.71  113.000  2985.54  164.622   56.049   1.0386   55.312   1.5332 0.7374191 1.851878 
1 1 1    8   51    9 o   52.980   0.9363  2741.43   90.238  2750.35  109.994  2723.05  157.815   53.154   1.0660   52.806   1.5396 0.3484612 1.872611 
1 1 1    8   51   10 o   32.928   1.1580  1026.48   69.768  963.762   84.333  1162.50  124.191   31.423   1.3826   34.434   1.8580 -3.010574 2.315944 
1 1 1    8   51   11 o   36.918   1.0618  1319.51   70.494  1298.33   84.679  1367.33  127.237   36.490   1.1955   37.347   1.7551 -0.8573380 2.123547 
1 1 1    8   51   12 f   28.425   1.2851  805.406   66.859  830.467   82.638  757.914  113.759   29.136   1.4611   27.715   2.1145 1.420908 2.570208 
1 1 1    8   51   13 o   34.245   1.0671  1149.47   67.751  1147.86   84.168  1152.41  114.187   34.264   1.2654   34.226   1.7187 0.3765488E-01 2.134291 
1 1 1    8   51   14 f   21.257   1.6622  470.924   64.659  525.256   82.231  382.915  104.656   23.053   1.8376   19.461   2.7703 3.591543 3.324346 
1 1 1    8   51   15 o   10.625   2.5977  113.113   65.771  134.757   83.140   76.912  107.522   11.294   3.4632   9.9569   3.8727 1.336896 5.195320 
1 1 1    8   51   16 f   9.3506   2.5419   46.520   66.164  -5.1221   83.517  133.560  108.426   7.2526   3.1601   11.449   3.9823 -4.196055 5.083856 
1 1 1    8   51   17 o   13.199   2.2716  207.156   66.363  301.071   83.738   48.574  108.814   17.187   2.5099   9.2118   3.7870 7.975000 4.543270 
1 1 1    8   51   18 o   8.0469   2.4598  -8.6773   68.304 -47.5272   84.602   64.054  115.756   6.4436   2.9600   9.6502   3.9294 -3.206597 4.919595 
1 1 1    8   51   19 f   23.973   1.7386  627.261   73.185  694.050   89.948  496.448  125.881   26.320   1.7605   21.627   2.9985 4.693007 3.477132 
1 1 1    8   51   20 o   16.205   2.3395  285.384   72.132  218.542   94.898  376.842  111.006   13.744   3.5365   18.666   3.0635 -4.922537 4.678910 
1 1 1    8   52    0 o   20.787   1.4665  447.590   49.097  470.447   56.439  376.478   99.550   21.986   1.3224   19.589   2.6180 2.396597 2.933013 
1 1 1    8   52    1 o   27.891   1.0649  724.266   49.971  692.915   57.169  825.782  102.873   26.693   1.1033   29.090   1.8218 -2.397188 2.129831 
1 1 1    8   52    2 o   34.882   1.0466  1201.06   56.607  1211.70   63.415  1159.35  125.584   35.307   0.9253   34.457   1.8775 0.8499908 2.093152 
1 1 1    8   52    3 o   30.300   1.2770  890.288   67.584  882.496   79.610  910.396  127.884   30.102   1.3624   30.497   2.1602 -0.3940659 2.553963 
1 1 1    8   52    4 o   25.791   1.4617  654.930   67.459  661.216   81.229  640.957  121.101   26.035   1.6073   25.548   2.4419 0.4865208 2.923391 
1 1 1    8   52    5 o   58.548   0.9269  3320.79   97.170  3292.17  116.488  3386.27  176.183   58.176   1.0315   58.921   1.5404 -0.7450294 1.853872 
1 1 1    8   52    6 o   26.285   1.3662  695.912   63.640  727.911   76.846  626.061  113.538   27.322   1.4489   25.247   2.3167 2.074585 2.732451 
1 1 1    8   52    7 o   17.600   2.1395  356.734   62.615  428.310   76.557  212.115  108.822   20.917   1.8855   14.284   3.8412 6.633061 4.279036 
1 1 1    8   52    8 o   64.896   0.9112  4150.30  108.579  4247.80  134.290  3966.23  184.522   66.058   1.0473   63.734   1.4915 2.323460 1.822417 
1 1 1    8   52    9 o   12.211   2.4535  127.808   61.941   65.877   76.120  249.190  106.567   8.9937   3.3120   15.428   3.6206 -6.434235 4.906925 
1 1 1    8   52   10 o   65.081   1.0854  4144.44  137.049  4090.05  196.431  4196.02  191.303   64.655   1.5651   65.507   1.5044 -0.8521576 2.170892 
1 1 1    8   52   11 o   40.851   1.0086  1634.99   75.439  1641.08   92.556  1622.94  130.208   41.016   1.1625   40.686   1.6487 0.3305206 2.017292 
1 1 1    8   52   12 o   6.9331   2.2382 -66.1664   62.809 -97.3335   76.627  -2.3470  109.650   5.4415   2.5973   8.4246   3.6459 -2.983047 4.476491 
1 1 1    8   52   13 o   39.029   1.0279  1520.54   74.539  1590.83   94.084  1402.06  122.156   40.330   1.2018   37.729   1.6679 2.601486 2.055790 
1 1 1    8   52   14 o   23.097   1.6449  560.241   67.935  611.953   83.982  462.341  115.554   24.878   1.7390   21.317   2.7925 3.561018 3.289758 
1 1 1    8   52   15 o   34.542   1.1506  1167.43   74.383  1139.02   93.040  1217.77  123.830   34.038   1.4081   35.046   1.8202 -1.007835 2.301288 
1 1 1    8   52   16 o   14.006   2.3715  199.201   63.733  135.078   80.780  304.925  103.725   11.207   3.4093   16.805   3.2975 -5.598198 4.743044 
1 1 1    8   52   17 o   17.395   2.1989  333.578   68.610  363.076   86.610  283.882  112.418   18.886   2.3625   15.904   3.7094 2.981771 4.397838 
1 1 1    8   52   18 o   16.349   2.4221  310.627   71.207  343.099   87.107  245.220  123.627   18.264   2.4570   14.434   4.1749 3.829570 4.844264 
1 1 1    8   52   19 o   13.677   2.6421  194.893   73.175  117.404   91.170  335.192  122.676   10.410   3.6500   16.943   3.8211 -6.532425 5.284258 
1 1 1    8   53    0 o   30.764   1.1878  912.188   55.413  905.326   61.394  942.347  128.708   30.509   1.0367   31.020   2.1375 -0.5111427 2.375581 
1 1 1    8   53    1 o   36.014   1.0319  1266.79   56.548  1268.33   62.848  1260.23  129.582   36.120   0.8964   35.909   1.8590 0.2112694 2.063815 
1 1 1    8   53    2 o   54.146   0.8719  2878.42   75.339  2896.85   85.204  2812.36  161.298   54.595   0.8040   53.696   1.5475 0.8992348 1.743853 
1 1 1    8   53    3 o   18.723   2.0001  381.947   60.360  418.895   71.412  289.517  112.949   20.705   1.7768   16.741   3.5839 3.964298 4.000129 
1 1 1    8   53    4 o   43.624   0.9575  1814.13   76.949  1731.95   93.942  1981.70  134.144   42.180   1.1473   45.067   1.5334 -2.886791 1.915083 
1 1 1    8   53    5 o   13.684   2.9519  192.356   76.106  192.356   76.106   0.0000   0.0000   13.684   2.9519  ?   ?       ?      ? 
1 1 1    8   53    6 o   36.744   1.0346  1313.96   70.070  1305.90   86.349  1329.51  119.902   36.611   1.2150   36.877   1.6750 -0.2664108 2.069251 
1 1 1    8   53    7 o   42.893   0.9616  1815.86   75.400  1859.16   92.852  1732.03  129.198   43.692   1.0948   42.094   1.5811 1.598053 1.923159 
1 1 1    8   53    8 o   29.208   1.1837  818.519   63.045  788.141   76.315  883.805  111.879   28.412   1.3837   30.004   1.9209 -1.592695 2.367379 
1 1 1    8   53    9 o   13.722   2.4340  197.822   62.491  202.248   76.812  189.158  107.467   13.990   2.9226   13.453   3.8929 0.5375309 4.867922 
1 1 1    8   53   10 o   49.481   0.9040  2360.27   82.193  2297.83  100.477  2486.57  142.901   48.551   1.0661   50.410   1.4603 -1.859138 1.808078 
1 1 1    8   53   11 o   32.038   1.1716  988.131   69.527  942.557   85.419  1077.60  119.682   31.020   1.4186   33.057   1.8651 -2.037554 2.343269 
1 1 1    8   53   12 o   53.044   0.9351  2772.21   91.043  2806.47  112.251  2706.35  155.638   53.608   1.0787   52.481   1.5277 1.126568 1.870176 
1 1 1    8   53   13 o   18.800   1.9201  361.265   67.787  370.152   86.410  347.045  109.305   19.214   2.3168   18.386   3.0625 0.8276901 3.840107 
1 1 1    8   53   14 o   20.029   1.7892  418.919   65.499  454.170   82.375  358.319  108.006   21.364   1.9863   18.693   2.9765 2.671661 3.578385 
1 1 1    8   53   15 o   6.1343   2.0507 -102.9745   66.421 -42.3328   83.788 -205.5335  108.964   6.5424   2.9829   5.7263   2.8150 0.8160906 4.101422 
1 1 1    8   53   16 o   27.768   1.3570  780.931   69.615  803.906   86.965  739.948  116.150   28.482   1.5729   27.055   2.2116 1.427029 2.713915 
1 1 1    8   53   17 o   11.241   2.6896  135.141   67.271  132.639   82.249  140.196  116.918   11.009   3.4560   11.473   4.1221 -0.4638014 5.379229 
1 1 1    8   53   18 o   7.5872   2.3934 -12.2130   69.474 -15.0485   87.830  -7.4731  113.557   7.0728   3.1537   8.1016   3.6010 -1.028882 4.786737 
1 1 1    8   54    0 o   35.445   1.0227  1269.55   55.998  1300.46   62.921  1151.81  122.804   36.572   0.8863   34.318   1.8434 2.253944 2.045427 
1 1 1    8   54    1 o   30.279   1.0582  913.738   53.381  933.010   61.727  856.580  106.307   30.967   1.0269   29.592   1.8507 1.375595 2.116461 
1 1 1    8   54    2 o   28.463   1.1714  798.645   52.886  804.095   59.694  778.759  114.026   28.744   1.0698   28.182   2.0844 0.5625114 2.342890 
1 1 1    8   54    3 o   29.866   1.0941  870.644   60.697  870.032   75.570  871.756  101.889   29.877   1.3030   29.856   1.7581 0.2157784E-01 2.188298 
1 1 1    8   54    4 o   59.192   1.0334  3418.79  118.701  3543.05  169.236  3298.47  166.534   60.253   1.4469   58.130   1.4758 2.123249 2.066800 
1 1 1    8   54    5 o   71.105   0.9482  4897.35  122.674  4833.64  148.960  5031.63  216.256   70.452   1.0892   71.757   1.5525 -1.305084 1.896496 
1 1 1    8   54    6 o   14.903   2.3227  217.238   62.878  184.670   77.077  282.035  108.719   13.354   3.0415   16.452   3.5112 -3.098253 4.645338 
1 1 1    8   54    7 o   21.742   1.6313  474.250   64.589  489.860   79.506  443.955  110.761   22.345   1.8330   21.140   2.6991 1.204729 3.262632 
1 1 1    8   54    8 o   8.8330   2.5019   42.786   62.941   40.372   78.334   47.183  105.727   8.2805   3.2799   9.3856   3.7790 -1.105089 5.003856 
1 1 1    8   54    9 o   18.575   1.7674  340.259   62.805  326.411   81.457  360.561   98.625   18.146   2.3125   19.005   2.6734 -0.8589268 3.534769 
1 1 1    8   54   10 o   10.109   2.2709   90.595   62.509  179.801   78.725 -61.5973  102.828   13.062   3.1430   7.1567   3.2787 5.904836 4.541834 
1 1 1    8   54   11 o   44.598   0.9535  1953.16   79.732  1964.44  100.690  1934.19  130.555   44.828   1.1571   44.368   1.5158 0.4596481 1.907006 
1 1 1    8   54   12 o   27.405   1.3774  770.461   68.119  820.820   84.029  673.932  116.338   28.882   1.4988   25.928   2.3114 2.953814 2.754831 
1 1 1    8   54   13 o   15.877   2.3034  279.114   66.183  309.674   82.083  222.328  111.890   17.542   2.4105   14.211   3.9259 3.330879 4.606854 
1 1 1    8   54   14 o   12.161   2.6052  153.399   65.162  127.897   81.869  197.481  107.638   10.976   3.4484   13.346   3.9059 -2.369517 5.210304 
1 1 1    8   54   15 o   17.580   2.1143  321.737   67.749  309.562   84.579  343.533  113.169   17.411   2.5024   17.748   3.4087 -0.3368683 4.228631 
1 1 1    8   54   16 o   22.591   1.6957  517.170   71.623  504.798   89.612  539.052  119.176   22.368   2.0638   22.813   2.6911 -0.4450150 3.391402 
1 1 1    8   54   17 o   7.4663   2.3416 -10.8768   67.753   22.258   83.796 -73.4392  115.142   7.7113   3.2577   7.2213   3.3644 0.4900889 4.683146 
1 1 1    8   54   18 o   21.727   1.7643  476.605   73.044  408.772   93.079  585.346  117.849   19.828   2.4182   23.626   2.5696 -3.798027 3.528541 
1 1 1    8   55    0 f   34.550   1.0317  1174.03   53.615  1179.30   59.438  1150.98  124.207   34.822   0.8793   34.279   1.8666 0.5429039 2.063346 
1 1 1    8   55    1 o   28.465   1.2417  792.708   55.290  792.529   61.997  793.400  122.219   28.527   1.1196   28.403   2.2167 0.1239414 2.483382 
1 1 1    8   55    2 o   20.294   1.6222  394.565   50.841  387.538   56.543  424.231  116.179   19.922   1.4621   20.665   2.8962 -0.7427406 3.244302 
1 1 1    8   55    3 o   16.347   1.8769  218.994   49.710  187.635   55.115  355.768  115.104   13.819   2.0546   18.875   3.1415 -5.056009 3.753757 
1 1 1    8   55    4 o   7.4751   2.3272 -13.9666   62.632   11.510   74.082 -77.8052  117.270   7.3593   3.0835   7.5909   3.4863 -0.2315335 4.654301 
1 1 1    8   55    5 o   7.4525   2.3174 -50.0255   59.237 -86.6836   69.429   48.059  113.569   5.2320   2.4904   9.6730   3.9090 -4.441013 4.634877 
1 1 1    8   55    6 o   43.625   1.0010  1869.03   78.210  1884.15   94.192  1835.45  140.345   43.968   1.1036   43.281   1.6704 0.6872444 2.002068 
1 1 1    8   55    7 o   24.848   1.4812  599.626   66.675  583.324   80.424  635.457  119.234   24.385   1.6991   25.311   2.4267 -0.9267082 2.962402 
1 1 1    8   55    8 o   21.744   1.6453  457.477   65.937  432.793   80.465  507.937  115.046   20.942   1.9793   22.546   2.6286 -1.604155 3.290520 
1 1 1    8   55    9 o   6.7911   2.1506 -44.0798   61.938   15.186   76.435 -157.4205  105.702   7.4854   3.1340   6.0968   2.9460 1.388664 4.301234 
1 1 1    8   55   10 f   32.654   1.1154  1031.43   68.338  983.378   85.372  1117.13  114.015   31.663   1.3890   33.646   1.7457 -1.982550 2.230862 
1 1 1    8   55   11 o   6.7849   2.1720 -50.6791   60.433 -84.4402   77.361   2.1807   96.800   5.6191   2.6613   7.9507   3.4333 -2.331614 4.343930 
1 1 1    8   55   12 o   27.711   1.3367  760.735   69.006  756.913   86.214  767.548  115.115   27.701   1.6033   27.722   2.1392 -0.2099800E-01 2.673317 
1 1 1    8   55   13 o   18.374   2.0673  357.560   67.307  369.536   83.213  334.898  114.467   19.169   2.2363   17.579   3.4777 1.590467 4.134622 
1 1 1    8   55   14 o   16.847   2.2440  301.683   68.750  299.435   85.725  305.736  115.090   17.103   2.5821   16.591   3.6708 0.5117455 4.487999 
1 1 1    8   55   15 o   16.371   2.3720  313.937   70.606  368.424   88.372  217.766  117.407   18.993   2.3969   13.749   4.0940 5.244209 4.744030 
1 1 1    8   55   16 o   23.568   1.6808  547.307   73.723  493.958   90.428  653.051  127.312   22.061   2.1116   25.075   2.6156 -3.013958 3.361566 
1 1 1    8   55   17 o   7.3599   2.3120 -24.5196   70.250   38.114   90.067 -121.8140  112.255   8.2178   3.4179   6.5020   3.1143 1.715800 4.624016 
1 1 1    8   56    0 o   5.8617   1.9844 -71.8622   48.975 -64.3110   54.515 -103.4526  111.503   4.7097   2.2316   7.0137   3.2819 -2.304004 3.968708 
1 1 1    8   56    1 o   20.021   1.6875  398.595   51.839  400.321   57.856  391.569  116.734   20.240   1.4725   19.802   3.0368 0.4383488 3.375022 
1 1 1    8   56    2 o   21.010   1.4907  395.365   50.075  368.556   55.795  506.374  113.537   19.419   1.4802   22.601   2.5879 -3.181940 2.981323 
1 1 1    8   56    3 o   30.597   1.0943  852.381   54.259  805.203   60.899  1034.02  119.492   28.746   1.0913   32.448   1.8971 -3.701206 2.188621 
1 1 1    8   56    4 o   24.296   1.5021  591.188   65.175  606.769   78.753  557.322  116.108   24.889   1.6300   23.703   2.5234 1.185940 3.004118 
1 1 1    8   56    5 o   37.086   1.0444  1349.48   69.425  1355.70   83.599  1335.66  124.621   37.282   1.1552   36.890   1.7403 0.3914871 2.088759 
1 1 1    8   56    6 o   22.990   1.6397  562.711   66.168  636.779   81.714  421.654  112.766   25.472   1.6526   20.509   2.8325 4.963202 3.279400 
1 1 1    8   56    7 f   14.279   2.3827  185.443   64.627  109.139   78.621  344.427  113.486   10.433   3.3903   18.125   3.3489 -7.691650 4.765452 
1 1 1    8   56    8 o   11.614   2.5683  120.376   62.776   77.074   76.382  210.506  110.197   9.2627   3.3314   13.966   3.9099 -4.703162 5.136683 
1 1 1    8   56    9 o   14.275   2.2342  173.571   62.333   82.313   75.137  375.026  111.637   9.3798   3.3114   19.170   3.0001 -9.789779 4.468330 
1 1 1    8   56   10 o   24.734   1.4647  606.090   67.172  597.670   83.271  621.775  113.656   24.583   1.7450   24.885   2.3528 -0.3020306 2.929319 
1 1 1    8   56   11 o   29.844   1.1862  858.720   66.650  797.995   83.361  966.329  110.969   28.467   1.5085   31.220   1.8311 -2.753017 2.372436 
1 1 1    8   56   12 o   20.820   1.6897  411.889   66.131  309.445   83.094  588.891  109.223   17.479   2.4489   24.161   2.3288 -6.681913 3.379431 
1 1 1    8   56   13 o   13.656   2.5231  220.190   68.545  260.118   84.318  142.385  117.703   15.645   2.8826   11.667   4.1419 3.977826 5.046220 
1 1 1    8   56   14 o   25.937   1.4921  662.578   72.041  623.162   88.896  737.995  122.963   24.963   1.8345   26.911   2.3538 -1.948179 2.984273 
1 1 1    8   56   15 f   14.858   2.6000  248.219   72.843  237.930   91.993  265.514  119.269   14.629   3.3161   15.087   4.0055 -0.4582014 5.200044 
1 1 1    8   56   16 o   7.2343   2.3539 -52.5821   70.797 -77.4916   86.409  -1.7107  123.484   6.0076   2.8354   8.4610   3.7581 -2.453433 4.707741 
1 1 1    8   57    0 o   10.691   2.3807  112.729   48.883  115.822   54.881  100.851  107.542   10.590   2.6702   10.792   3.9423 -0.2013483 4.761500 
1 1 1    8   57    1 o   43.071   0.9118  1826.26   63.750  1838.92   72.607  1783.65  133.192   43.470   0.8604   42.672   1.6079 0.7980156 1.823684 
1 1 1    8   57    2 o   28.946   1.1501  806.447   52.447  796.131   58.778  846.741  116.166   28.581   1.0594   29.312   2.0416 -0.7307529 2.300126 
1 1 1    8   57    3 o   9.1767   2.3983   44.458   49.333   20.297   55.732  131.929  106.041   6.7382   2.7329   11.615   3.9419 -4.876947 4.796652 
1 1 1    8   57    4 f   6.9572   2.1544  -7.7698   46.385 -12.5246   52.460   9.2672   99.302   5.6277   2.4769   8.2867   3.5256 -2.658975 4.308709 
1 1 1    8   57    5 o   14.063   2.2444  209.973   58.755  218.468   75.195  196.655   94.149   14.529   2.7673   13.597   3.5344 0.9317455 4.488869 
1 1 1    8   57    6 o   6.4556   2.1208 -68.1338   60.353 -78.1050   74.748 -49.4575  102.299   5.6027   2.6421   7.3085   3.3181 -1.705785 4.241503 
1 1 1    8   57    7 o   24.125   1.3578  590.121   60.710  629.813   76.954  524.698   98.797   25.305   1.5666   22.946   2.2181 2.359465 2.715546 
1 1 1    8   57    8 o   10.110   2.5642   92.661   61.371   83.615   75.512  110.262  105.333   9.4165   3.3202   10.803   3.9084 -1.386847 5.128322 
1 1 1    8   57    9 o   31.720   1.1949  990.582   68.723  984.558   83.387  1003.34  121.337   31.669   1.3565   31.771   1.9674 -0.1024685 2.389718 
1 1 1    8   57   10 f   11.379   2.6620  125.167   65.656  100.390   80.482  174.465  113.525   10.048   3.4340   12.710   4.0685 -2.662086 5.324033 
1 1 1    8   57   11 o   26.046   1.4286  674.880   69.360  666.239   86.581  690.360  115.883   25.919   1.7209   26.173   2.2809 -0.2543907 2.857234 
1 1 1    8   57   12 o   12.422   2.3663  144.632   65.019   43.939   83.906  295.975  102.866   8.3510   3.3651   16.493   3.3277 -8.142211 4.732623 
1 1 1    8   57   13 o   9.1283   2.6175   50.083   69.404   30.545   85.856   86.929  117.904   8.0450   3.3408   10.212   4.0305 -2.166625 5.235065 
1 1 1    8   57   14 o   9.3291   2.6034   10.572   73.966 -75.6135   91.524  172.850  125.588   6.2987   2.9556   12.359   4.2867 -6.060796 5.206838 
1 1 1    8   57   15 o   6.6851   2.2331 -81.2248   72.797 -58.5998   88.804 -127.5757  127.106   6.3827   2.9673   6.9876   3.3380 -0.6048245 4.466252 
1 1 1    8   58    0 o   10.666   2.4884   64.403   51.056   31.022   56.386  216.358  120.302   7.1052   2.7927   14.227   4.1194 -7.121481 4.976841 
1 1 1    8   58    1 o   14.475   2.2928  197.711   52.644  185.070   58.477  251.761  120.919   13.662   2.2050   15.288   4.0208 -1.626095 4.585677 
1 1 1    8   58    2 o   24.916   1.4649  635.503   52.400  646.538   57.619  582.729  126.003   25.730   1.1536   24.102   2.6932 1.628611 2.929858 
1 1 1    8   58    3 o   25.318   1.4038  639.439   54.007  642.874   60.116  625.066  122.962   25.646   1.2076   24.990   2.5347 0.6552353 2.807683 
1 1 1    8   58    4 o   32.276   1.1631  1087.79   58.280  1135.33   65.999  919.455  124.186   34.115   0.9966   30.437   2.1018 3.677679 2.326144 
1 1 1    8   58    5 o   18.534   2.0183  343.382   64.782  329.787   76.996  376.332  119.866   18.199   2.1794   18.868   3.3976 -0.6689854 4.036533 
1 1 1    8   58    6 o   12.866   2.5681  162.946   64.623  125.147   79.016  239.299  112.302   10.942   3.3797   14.790   3.8677 -3.848535 5.136248 
1 1 1    8   58    7 f   15.114   2.2750  225.669   62.908  173.158   77.732  325.349  107.096   12.728   3.1606   17.500   3.2729 -4.772277 4.549906 
1 1 1    8   58    8 o   21.796   1.6150  473.669   65.906  466.647   82.728  485.868  109.037   21.665   1.9671   21.926   2.5618 -0.2612419 3.229922 
1 1 1    8   58    9 o   8.0386   2.4012   18.381   61.759   14.013   76.514   26.549  104.620   7.3899   3.1170   8.6872   3.6534 -1.297269 4.802361 
1 1 1    8   58   10 o   19.105   2.0262  385.981   69.052  399.540   85.997  361.372  115.853   19.919   2.2240   18.292   3.3876 1.627754 4.052418 
1 1 1    8   58   11 o   14.479   2.5654  214.334   70.281  159.180   86.713  319.941  119.989   12.031   3.5013   16.926   3.7505 -4.894719 5.130854 
1 1 1    8   58   12 o   20.371   1.8121  414.715   69.404  381.083   86.555  475.280  116.151   19.356   2.3036   21.385   2.7980 -2.028891 3.624286 
1 1 1    8   58   13 o   30.480   1.3407  922.982   76.103  895.703   94.532  973.223  128.292   29.988   1.6239   30.973   2.1338 -0.9846745 2.681482 
1 1 1    8   58   14 o   10.011   2.6336   50.673   72.227 -29.7765   88.814  207.783  124.114   6.8434   3.1010   13.179   4.2578 -6.335700 5.267295 
1 1 1    8   58   15 o   11.719   2.7061  143.055   72.858   79.059   93.765  240.574  115.746   9.3100   3.6177   14.127   4.0255 -4.817296 5.412278 
1 1 1    8   59    0 o   22.097   1.3649  450.222   52.255  414.169   60.380  557.790  104.295   20.536   1.5147   23.659   2.2709 -3.123291 2.729724 
1 1 1    8   59    1 o   36.523   0.9396  1308.01   57.660  1309.28   66.617  1304.24  115.127   36.643   0.9365   36.403   1.6292 0.2404137 1.879209 
1 1 1    8   59    2 o   36.098   1.0249  1282.93   57.658  1285.49   64.619  1272.94  127.709   36.310   0.9168   35.887   1.8333 0.4230843 2.049723 
1 1 1    8   59    3 o   32.957   1.0311  1087.56   56.158  1107.21   64.674  1027.33  113.224   33.681   0.9892   32.233   1.8095 1.447720 2.062262 
1 1 1    8   59    4 o   15.117   2.1077  225.387   52.288  213.875   59.640  263.638  108.711   14.651   2.0970   15.583   3.6567 -0.9322567 4.215339 
1 1 1    8   59    5 o   22.160   1.6350  478.784   65.937  454.375   79.515  532.518  117.977   21.394   1.9147   22.927   2.6509 -1.533140 3.270036 
1 1 1    8   59    6 o   16.067   2.3176  261.629   67.011  229.424   82.062  326.082  116.092   14.743   2.9702   17.391   3.5587 -2.648917 4.635299 
1 1 1    8   59    7 o   14.417   2.4131  189.518   66.632  104.379   80.721  371.590  118.044   10.187   3.4393   18.648   3.3857 -8.460595 4.826218 
1 1 1    8   59    8 o   26.546   1.4225  669.616   71.008  573.994   88.050  847.481  120.086   24.013   1.8890   29.080   2.1273 -5.067724 2.844932 
1 1 1    8   59    9 o   19.622   2.0634  443.361   67.649  528.764   84.545  291.377  112.785   23.020   1.8920   16.223   3.6675 6.796591 4.126763 
1 1 1    8   59   10 o   12.200   2.4102  172.498   67.029  248.534   85.243   49.321  108.495   15.217   2.9925   9.1829   3.7790 6.033776 4.820390 
1 1 1    8   59   11 o   10.886   2.7017   97.649   70.597   41.558   86.653  208.366  121.743   8.3307   3.3968   13.440   4.2023 -5.109772 5.403497 
1 1 1    8   59   12 o   14.521   2.5449  209.653   69.578  141.329   84.182  356.955  123.606   11.287   3.4888   17.755   3.7061 -6.467830 5.089820 
1 1 1    8   59   13 o   17.053   2.2645  292.217   71.384  186.193   88.995  483.504  119.538   12.767   3.4908   21.340   2.8857 -8.573119 4.529088 
1 1 1    8   59   14 o   10.962   2.7975  131.079   73.826  128.051   90.948  136.928  126.409   10.709   3.6505   11.215   4.2400 -0.5054235 5.595020 
1 1 1    8   60    0 o   21.903   1.6188  473.522   52.873  469.568   58.369  491.602  124.808   21.869   1.3749   21.936   2.9310 -0.6676483E-01 3.237509 
1 1 1    8   60    1 o   32.239   1.1632  991.338   55.786  972.728   61.339  1080.39  134.179   31.560   1.0012   32.917   2.0999 -1.357595 2.326360 
1 1 1    8   60    2 f   21.458   1.5754  411.567   54.186  377.655   60.321  553.292  123.317   19.572   1.5877   23.343   2.7215 -3.770485 3.150733 
1 1 1    8   60    3 o   7.7425   2.2478   32.295   50.665   54.066   56.706 -53.8590  112.805   7.8822   2.8653   7.6029   3.4643 0.2793288 4.495681 
1 1 1    8   60    4 o   16.133   2.0242  270.931   52.213  271.885   59.768  267.855  107.289   16.557   1.8596   15.709   3.5960 0.8483505 4.048356 
1 1 1    8   60    5 o   9.2440   2.3651   79.885   50.892   90.906   57.983   42.912  106.200   9.3871   2.8944   9.1010   3.7413 0.2860899 4.730247 
1 1 1    8   60    6 o   20.278   1.7056  401.053   65.721  347.710   83.176  489.706  107.228   18.581   2.3060   21.976   2.5136 -3.395084 3.411162 
1 1 1    8   60    7 o   6.9666   2.2878 -81.5632   75.854 -32.7049  101.734 -142.7315  113.831   7.4419   3.3503   6.4913   3.1164 0.9505301 4.575596 
1 1 1    8   60    8 o   11.868   2.6695  155.145   67.801  165.394   82.757  134.221  118.244   12.281   3.3696   11.454   4.1415 0.8279667 5.339096 
1 1 1    8   60    9 o   26.424   1.5490  731.302   73.205  780.541   89.833  633.973  126.300   28.026   1.6513   24.822   2.6213 3.204119 3.098020 
1 1 1    8   60   10 o   23.129   1.7095  579.527   69.288  638.809   84.860  460.954  120.013   25.303   1.7276   20.955   2.9503 4.348301 3.418963 
1 1 1    8   60   11 o   10.713   2.5827  125.797   68.860  169.365   84.504   39.694  118.796   12.281   3.4189   9.1450   3.8720 3.135550 5.165349 
1 1 1    8   60   12 o   13.826   2.6306  190.902   73.249  106.787   89.785  358.314  126.665   10.089   3.6136   17.563   3.8237 -7.474328 5.261104 
1 1 1    8   60   13 o   10.251   2.7259  108.955   73.287  125.317   90.729   78.234  124.320   10.620   3.6458   9.8816   4.0534 0.7387800 5.451783 
1 1 1    8   61    0 o   18.302   1.6516  345.139   50.510  354.557   58.714  318.327   99.069   18.960   1.5953   17.645   2.8923 1.314304 3.303115 
1 1 1    8   61    1 o   27.879   1.1469  726.105   54.550  684.480   62.729  855.245  110.490   26.428   1.2227   29.329   1.9407 -2.900591 2.293771 
1 1 1    8   61    2 o   14.041   2.2822  230.978   54.225  252.362   61.466  155.916  115.158   15.916   1.9894   12.166   4.1080 3.750048 4.564366 
1 1 1    8   61    3 o   7.4554   2.3331  -3.7903   52.295  -5.6751   57.723   4.8406  123.523   6.0368   2.6289   8.8740   3.8551 -2.837266 4.666108 
1 1 1    8   61    4 o   27.283   1.3180  708.116   54.020  689.833   59.492  794.011  128.948   26.531   1.1552   28.035   2.3694 -1.504232 2.636006 
1 1 1    8   61    5 o   29.476   1.2052  781.794   56.161  729.370   62.344  1007.48  129.352   27.268   1.1778   31.684   2.1031 -4.416296 2.410462 
1 1 1    8   61    6 o   12.038   2.6072  161.494   66.055  175.850   81.693  134.384  112.265   12.681   3.2904   11.396   4.0451 1.284822 5.214367 
1 1 1    8   61    7 o   7.1522   2.2776 -24.7036   63.363 -20.0514   77.776 -33.8858  109.267   6.6436   2.9647   7.6609   3.4583 -1.017365 4.555128 
1 1 1    8   61    8 o   9.3378   2.6079   67.497   66.343   64.833   80.368   73.198  117.544   8.7858   3.3666   9.8897   3.9837 -1.103884 5.215724 
1 1 1    8   61    9 o   15.091   2.5785  240.898   69.537  214.365   82.465  306.185  129.357   13.986   3.1171   16.195   4.1083 -2.209134 5.156986 
1 1 1    8   61   10 o   10.663   2.6925  100.550   67.931   59.237   82.354  188.505  120.162   8.6051   3.3773   12.721   4.1942 -4.115589 5.384977 
1 1 1    8   61   11 o   10.793   2.7225  125.270   70.643  116.974   90.232  138.409  113.550   10.390   3.6318   11.196   4.0569 -0.8063507 5.445028 
1 1 1    8   62    0 o   7.1634   2.7689   37.175   54.702   37.175   54.702   0.0000   0.0000   7.1634   2.7689  ?   ?       ?      ? 
1 1 1    8   62    1 o   14.794   2.1025  219.525   60.378  219.525   60.378   0.0000   0.0000   14.794   2.1025  ?   ?       ?      ? 
1 1 1    8   62    2 o   10.695   2.4980  115.363   53.783  114.535   60.921  118.286  114.505   10.366   2.9089   11.024   4.0618 -0.6580315 4.995964 
1 1 1    8   62    3 o   26.935   1.3646  759.375   56.944  785.140   64.328  666.085  122.408   28.287   1.1715   25.583   2.4649 2.704367 2.729147 
1 1 1    8   62    4 o   9.4022   2.1763   96.723   51.433  136.330   57.711 -56.1773  113.391   11.311   2.6711   7.4932   3.4365 3.818027 4.352509 
1 1 1    8   62    5 o   20.596   1.7653  428.605   56.397  425.147   63.099  442.341  125.741   20.710   1.5696   20.482   3.1625 0.2277489 3.530584 
1 1 1    8   62    6 o   8.3669   2.1667   62.797   51.091  102.848   56.161 -129.4629  123.047   9.8096   2.8071   6.9243   3.3012 2.885370 4.333375 
1 1 1    8   62    7 o   25.017   1.6631  687.297   71.202  764.810   86.247  521.404  126.175   27.736   1.6019   22.297   2.9151 5.438580 3.326264 
1 1 1    8   62    8 o   23.404   1.6485  552.752   71.455  533.980   88.156  588.709  122.009   23.006   1.9740   23.802   2.6406 -0.7962208 3.296905 
1 1 1    8   62    9 o   12.117   2.4363  179.221   69.932  256.519   86.058   28.947  119.991   15.313   3.0025   8.9222   3.8376 6.390515 4.872615 
1 1 1    8   62   10 o   12.594   2.7501  180.103   70.857  164.062   86.617  212.555  123.198   11.951   3.5055   13.236   4.2385 -1.284340 5.500281 
1 1 1    8   63    0 o   23.285   1.3283  534.074   60.038  534.074   60.038   0.0000   0.0000   23.285   1.3283  ?   ?       ?      ? 
1 1 1    8   63    1 o   41.010   1.0359  1678.60   67.896  1691.66   76.933  1632.60  144.388   41.587   0.9530   40.432   1.8397 1.154949 2.071846 
1 1 1    8   63    2 o   28.463   1.3972  841.117   60.282  859.989   67.426  765.951  134.563   29.589   1.1739   27.337   2.5358 2.252882 2.794339 
1 1 1    8   63    3 o   12.856   2.4316  189.024   54.915  199.515   60.574  140.614  130.126   14.031   2.2240   11.680   4.3249 2.350727 4.863232 
1 1 1    8   63    4 o   32.353   1.1852  1037.74   59.352  1034.85   66.340  1049.32  132.853   32.488   1.0519   32.218   2.1243 0.2698555 2.370455 
1 1 1    8   63    5 o   12.452   2.4817  158.437   55.845  142.511   64.064  208.837  113.966   11.457   2.8829   13.447   4.0402 -1.990087 4.963315 
1 1 1    8   63    6 o   9.5637   2.5596   76.028   56.693   65.303   64.392  113.004  119.561   8.3647   3.0513   10.763   4.1104 -2.398046 5.119221 
1 1 1    8   63    7 f   9.5378   2.3472   71.942   70.518  172.546   83.763 -172.8678  130.666   12.369   3.3885   6.7064   3.2490 5.662748 4.694450 
1 1 1    8   63    8 o   8.4635   2.5657   20.670   71.594  -0.3321   87.835   62.244  123.581   7.3324   3.2166   9.5945   3.9982 -2.262034 5.131487 
1 1 1    8   63    9 o   9.7404   2.6161   90.697   71.235  130.311   92.064   31.595  112.452   10.788   3.6729   8.6929   3.7264 2.095141 5.232214 
1 1 1    8   64    0 o   34.666   1.0134  1177.60   68.192  1177.60   68.192   0.0000   0.0000   34.666   1.0134  ?   ?       ?      ? 
1 1 1    8   64    1 f   12.862   2.4933  140.234   54.659  103.602   60.891  292.197  124.020   9.8323   2.9530   15.891   4.0181 -6.058578 4.986513 
1 1 1    8   64    2 o   30.704   1.2294  906.623   60.506  880.237   68.060  1006.08  132.139   29.917   1.1720   31.491   2.1616 -1.574369 2.458879 
1 1 1    8   64    3 o   14.345   2.3404  205.393   53.584  191.963   59.509  262.944  123.191   13.726   2.2334   14.963   4.1136 -1.236730 4.680738 
1 1 1    8   64    4 o   6.9527   2.2827 -45.0820   54.754 -55.5589   60.369   3.5133  130.015   5.0945   2.3937   8.8109   3.8876 -3.716457 4.565444 
1 1 1    8   64    5 o   25.625   1.4906  649.676   59.679  637.037   66.726  700.210  133.424   25.367   1.3551   25.884   2.6555 -0.5170898 2.981239 
1 1 1    8   64    6 f   10.925   2.4740   89.600   57.235   36.009   66.269  246.946  113.551   7.4205   2.9904   14.429   3.9422 -7.008399 4.948088 
1 1 1    8   64    7 o   28.054   1.2823  753.428   57.660  723.049   64.732  870.099  126.858   27.045   1.2330   29.062   2.2487 -2.016396 2.564559 
1 1 1    8   65    0 o   5.1156   2.4010 -54.3240   60.453 -54.3240   60.453   0.0000   0.0000   5.1156   2.4010  ?   ?       ?      ? 
1 1 1    8   65    1 o   6.3391   2.0665 -31.7074   52.846 -13.8954   60.504 -89.0109  108.522   5.9020   2.6256   6.7761   3.1918 -0.8741055 4.132957 
1 1 1    8   65    2 o   16.924   2.1976  259.082   56.105  227.886   61.553  412.295  136.410   14.955   2.1203   18.894   3.8500 -3.939030 4.395209 
1 1 1    8   65    3 o   25.067   1.5596  681.643   58.790  708.396   66.021  579.190  129.196   26.769   1.2705   23.364   2.8486 3.404839 3.119108 
1 1 1    8   65    4 o   7.2149   2.2743  -1.3582   57.742   11.805   65.911 -44.8022  119.743   6.7366   2.8694   7.6931   3.5294 -0.9564724 4.548655 
1 1 1    8   65    5 o   5.8849   2.0577 -150.4731   58.936 -175.0691   66.380 -58.8823  128.094   4.0120   2.0091   7.7578   3.5917 -3.745794 4.115454 
1 1 1    8   66    0 o   27.112   1.2209  726.335   64.255  726.335   64.255   0.0000   0.0000   27.112   1.2209  ?   ?       ?      ? 
1 1 1    8   66    1 o   22.585   1.5124  508.868   66.307  508.868   66.307   0.0000   0.0000   22.585   1.5124  ?   ?       ?      ? 
1 1 1    8   66    2 o   6.3758   2.0242 -22.9768   53.368   23.325   60.385 -188.2053  114.070   6.8135   2.8133   5.9381   2.9112 0.8754025 4.048430 
1 1 1    9    0    0 o  188.551   1.6861 34531.95  616.890 34119.77  872.472 34944.02  872.357  187.424   2.3989  189.677   2.3701 -0.000000 0.000000 
1 1 1    9    0    1 o   54.644   3.1631  2952.77  329.171  3283.58  476.441  2650.65  455.313   57.665   4.3117   51.624   4.6291 -0.000000 0.000000 
1 1 1    9    0    2 o  260.864   1.9892 66073.02  1006.84 66945.05  1441.61 65242.59  1406.80  262.544   2.8294  259.185   2.7969 -0.000000 0.000000 
1 1 1    9    0    3 o   59.086   0.7420  3391.32   85.012  3511.28  120.981  3274.32  119.484   60.119   1.0374   58.052   1.0611 -0.000000 0.000000 
1 1 1    9    0    4 o  249.652   1.7702 60552.82  835.678 60655.23  1068.28 60391.33  1341.49  249.938   2.2022  249.366   2.7721 -0.000000 0.000000 
1 1 1    9    0    5 o   70.869   0.8689  4879.85  119.419  4898.41  166.904  4860.39  170.936   71.008   1.2116   70.730   1.2459 -0.000000 0.000000 
1 1 1    9    0    6 o  377.958   2.1346 137991.59  1524.43 135599.20  1937.07 141883.80  2470.76  373.698   2.6706  382.218   3.3306 -0.000000 0.000000 
1 1 1    9    0    7 o   97.000   1.0758  9154.42  202.132  9551.08  282.390  8737.67  289.456   99.163   1.4677   94.837   1.5733 -0.000000 0.000000 
1 1 1    9    0    8 o   80.801   0.9333  6343.63  146.275  6432.58  205.752  6252.73  207.993   81.375   1.3033   80.227   1.3364 -0.000000 0.000000 
1 1 1    9    0    9 o   56.045   0.8296  3059.46   89.946  3175.53  124.473  2932.63  130.121   57.165   1.1227   54.925   1.2218 -0.000000 0.000000 
1 1 1    9    0   10 o  157.512   1.5705 24103.33  479.907 24302.05  674.263 23899.30  683.207  158.172   2.1970  156.852   2.2449 -0.000000 0.000000 
1 1 1    9    0   11 o  225.878   1.9479 49559.77  853.722 49999.91  1218.49 49135.39  1196.50  226.862   2.7678  224.893   2.7417 -0.000000 0.000000 
1 1 1    9    0   12 o   20.407   1.6263  428.530   57.626  447.108   71.155  393.121   98.235   21.246   1.7527   19.569   2.7400 -0.000000 0.000000 
1 1 1    9    0   13 o   28.381   1.1473  786.971   61.075  778.035   77.781  801.341   98.631   28.201   1.4292   28.560   1.7953 -0.000000 0.000000 
1 1 1    9    0   14 o  229.467   2.0215 51159.23  899.945 52116.94  1289.56 50249.98  1256.52  231.559   2.8699  227.374   2.8478 -0.000000 0.000000 
1 1 1    9    0   15 o  130.889   1.4354 16637.68  364.094 16398.38  501.447 16904.52  529.513  129.898   1.9897  131.882   2.0695 -0.000000 0.000000 
1 1 1    9    0   16 o   61.880   0.9667  3737.27  115.208  3856.66  155.641  3592.56  171.345   62.987   1.2741   60.774   1.4543 -0.000000 0.000000 
1 1 1    9    0   17 o  177.946   1.5787 30782.36  545.048 30693.39  763.863 30874.63  777.959  177.686   2.2154  178.205   2.2497 -0.000000 0.000000 
1 1 1    9    0   18 o   20.085   2.1530  430.232   74.101  485.461   98.259  357.396  112.838   21.973   2.3738   18.197   3.5926 -0.000000 0.000000 
1 1 1    9    0   19 o   15.543   2.8008  296.038   73.117  376.318   98.040  195.424  109.756   19.069   2.8323   12.017   4.8327 -0.000000 0.000000 
1 1 1    9    0   20 o   33.802   1.2509  1121.79   81.090  1145.12  109.674  1093.65  120.438   34.212   1.6603   33.391   1.8715 -0.000000 0.000000 
1 1 1    9    0   21 o   7.8830   2.9879   69.997   75.770  141.391   94.957 -55.1268  125.710   9.9854   4.5328   5.7806   3.8941 -0.000000 0.000000 
1 1 1    9    0   22 o   23.889   1.9529  569.057   84.564  433.126  112.642  744.609  128.010   20.443   3.0353   27.334   2.4582 -0.000000 0.000000 
1 1 1    9    0   23 o   93.307   1.2844  8474.41  232.423  8562.19  330.623  8388.64  326.801   93.785   1.8176   92.829   1.8151 -0.000000 0.000000 
1 1 1    9    0   24 o  175.821   2.1808 30224.71  743.761 29981.39  1045.65 30473.88  1058.14  175.107   3.0784  176.535   3.0899 -0.000000 0.000000 
1 1 1    9    0   25 o   16.899   3.0445  341.851   86.362  415.298  117.984  257.076  126.756   19.794   3.3618   14.004   5.0768 -0.000000 0.000000 
1 1 1    9    0   26 o   74.009   1.1620  5340.45  166.599  5667.27  238.551  5029.28  232.769   76.228   1.6138   71.790   1.6723 -0.000000 0.000000 
1 1 1    9    0   27 o   90.461   1.2790  7995.13  224.314  7896.00  312.363  8100.70  322.326   89.888   1.7918   91.035   1.8256 -0.000000 0.000000 
1 1 1    9    0   28 o   6.8617   3.0486   16.795   85.939 -32.3047  114.772   79.456  129.658   5.6716   3.7900   8.0519   4.7763 -0.000000 0.000000 
1 1 1    9    0   29 o   30.263   1.6478  914.071   94.835  875.171  125.932  965.031  144.138   29.556   2.2239   30.970   2.4321 -0.000000 0.000000 
1 1 1    9    0   30 o   8.9388   3.5042  111.651   93.155   53.268  127.288  178.984  136.696   7.3124   4.5256   10.565   5.3512 -0.000000 0.000000 
1 1 1    9    0   31 o   6.1217   2.8870 -32.5345   96.111   26.399  129.359 -105.1520  143.595   6.7798   4.3460   5.4637   3.8015 -0.000000 0.000000 
1 1 1    9    1    0 o  169.579   1.0980 27907.67  361.389 27429.72  505.270 28408.27  517.097  168.093   1.5485  171.065   1.5572 -2.971832 2.196072 
1 1 1    9    1    1 o  330.527   1.7615 106098.90  1124.90 106204.40  1519.29 105970.90  1673.57  330.717   2.3666  330.337   2.6099 0.3797302 3.523088 
1 1 1    9    1    2 o  365.605   1.8497 129773.70  1306.98 129503.70  1766.61 130100.10  1942.61  365.194   2.4920  366.017   2.7341 -0.8227844 3.699409 
1 1 1    9    1    3 o  364.568   1.7520 129376.50  1218.41 130837.20  1587.31 127281.60  1900.98  367.093   2.2275  362.042   2.7049 5.050720 3.504043 
1 1 1    9    1    4 o  317.488   1.3796 97816.09  847.909 97306.32  1155.52 98410.81  1248.07  316.595   1.8802  318.382   2.0194 -1.786285 2.759212 
1 1 1    9    1    5 o  287.493   1.3463 80273.38  749.516 80724.77  1026.22 79757.30  1097.29  288.362   1.8333  286.624   1.9722 1.738129 2.692682 
1 1 1    9    1    6 o  363.218   1.5042 128087.60  1060.55 128671.50  1503.25 127509.00  1496.46  364.042   2.1272  362.394   2.1272 1.648346 3.008373 
1 1 1    9    1    7 o  157.277   0.9581 24016.32  291.993 23938.88  425.603 24085.19  401.345  157.037   1.3962  157.517   1.3126 -0.4805603 1.916282 
1 1 1    9    1    8 o  153.235   0.9379 22793.32  278.970 22915.46  395.368 22672.21  393.684  153.644   1.3256  152.826   1.3270 0.8176880 1.875718 
1 1 1    9    1    9 o  144.661   0.9529 20303.74  266.880 20462.93  392.713 20167.14  363.794  145.186   1.3934  144.135   1.3002 1.051422 1.905845 
1 1 1    9    1   10 o   48.533   0.5861  2286.46   55.208  2253.04   78.094  2319.85   78.057   48.178   0.8350   48.888   0.8225 -0.7091141 1.172100 
1 1 1    9    1   11 o  189.242   1.2335 34772.82  453.112 34640.71  640.096 34905.52  641.500  188.882   1.7458  189.602   1.7430 -0.7206573 2.466918 
1 1 1    9    1   12 o  103.232   0.7804 10345.38  156.384 10369.66  221.292 10321.17  221.029  103.353   1.1030  103.111   1.1043 0.2419891 1.560792 
1 1 1    9    1   13 o  103.993   0.8507 10498.08  171.703 10701.20  244.525 10300.52  241.158  104.985   1.1999  103.001   1.2061 1.984352 1.701303 
1 1 1    9    1   14 o   80.017   0.7112  6215.65  110.462  6228.78  157.511  6202.93  154.955   80.100   1.0130   79.934   0.9986 0.1660767 1.422492 
1 1 1    9    1   15 o   95.718   0.8060  8893.63  149.717  8984.80  214.737  8807.39  208.850   96.194   1.1500   95.241   1.1297 0.9537811 1.612015 
1 1 1    9    1   16 o   99.293   0.8276  9574.58  159.516  9600.88  225.161  9548.07  226.020   99.430   1.1666   99.156   1.1743 0.2742081 1.655230 
1 1 1    9    1   17 o   59.848   0.7037  3473.63   81.659  3390.88  112.338  3566.34  118.910   59.094   0.9793   60.602   1.0108 -1.508747 1.407393 
1 1 1    9    1   18 o   84.309   0.7900  6902.97  129.277  6858.29  181.548  6948.93  184.129   84.032   1.1130   84.585   1.1214 -0.5530167 1.579944 
1 1 1    9    1   19 o   86.208   1.0353  7277.70  163.319  7056.35  280.699  7390.99  200.807   85.189   1.6974   87.226   1.1860 -2.036316 2.070688 
1 1 1    9    1   20 o   14.972   1.8846  227.541   52.463  169.470   75.267  282.415   73.166   12.915   3.0508   17.029   2.2134 -4.113626 3.769125 
1 1 1    9    1   21 o   83.516   0.8306  6776.78  134.652  6825.15  191.919  6729.89  188.969   83.809   1.1797   83.223   1.1697 0.5861664 1.661286 
1 1 1    9    1   22 o   59.776   0.7737  3471.69   89.772  3496.25  127.800  3447.77  126.130   59.985   1.0976   59.568   1.0908 0.4168892 1.547402 
1 1 1    9    1   23 o   20.793   1.5947  429.959   62.613  317.200   88.778  541.563   88.322   18.013   2.5389   23.572   1.9302 -5.559288 3.189307 
1 1 1    9    1   24 o   52.984   0.9903  2708.56   96.983  2656.74  119.502  2808.54  165.992   52.269   1.1778   53.699   1.5924 -1.430225 1.980644 
1 1 1    9    1   25 o   41.321   0.8711  1661.52   69.856  1703.75  100.106  1621.44   97.526   41.832   1.2328   40.810   1.2311 1.022816 1.742218 
1 1 1    9    1   26 o   42.395   0.8861  1749.74   72.877  1825.12  105.200  1680.18  101.052   43.272   1.2524   41.518   1.2538 1.753902 1.772175 
1 1 1    9    1   27 o   22.367   1.4705  494.274   63.679  463.786   91.321  523.128   88.842   21.679   2.1700   23.055   1.9851 -1.376137 2.941001 
1 1 1    9    1   28 o   13.104   2.3658  183.359   61.157  144.548   86.915  221.421   86.071   11.728   3.5293   14.481   3.1515 -2.752724 4.731583 
1 1 1    9    1   29 o   55.965   0.8202  3065.47   89.099  3110.22  126.910  3021.97  125.119   56.367   1.1599   55.562   1.1601 0.8054810 1.640434 
1 1 1    9    1   30 o   26.999   1.3043  728.668   67.992  823.407   97.098  637.522   95.240   28.765   1.7389   25.233   1.9444 3.532085 2.608566 
1 1 1    9    1   31 o   9.5878   2.5458   80.243   66.950  130.016   94.428   29.931   94.938   10.919   3.7198   8.2563   3.4766 2.663042 5.091519 
1 1 1    9    2    0 o  260.763   1.4048 66018.29  711.097 66321.19  1007.81 65717.98  1003.49  261.359   1.9864  260.167   1.9870 1.191284 2.809643 
1 1 1    9    2    1 f   55.447   0.5982  3005.60   61.857  3063.78   77.789  2905.54  102.013   56.183   0.7133   54.712   0.9605 1.471031 1.196392 
1 1 1    9    2    2 o  297.148   1.5230 85675.82  865.063 85422.89  1128.27 86036.60  1347.49  296.625   1.9595  297.672   2.3320 -1.046112 3.045911 
1 1 1    9    2    3 o  244.640   1.2910 58128.21  607.853 58309.17  809.150 57893.81  920.922  245.081   1.7008  244.199   1.9427 0.8815765 2.582045 
1 1 1    9    2    4 o  244.024   1.2064 57806.65  571.458 57677.42  807.430 57936.37  808.899  243.751   1.7065  244.297   1.7057 -0.5465851 2.412780 
1 1 1    9    2    5 o  238.631   1.1988 55279.97  555.334 55474.10  786.518 55086.96  784.209  239.049   1.6949  238.213   1.6959 0.8356171 2.397695 
1 1 1    9    2    6 o  128.900   0.8578 16121.46  214.352 16253.30  311.955 16003.54  295.031  129.398   1.2419  128.401   1.1837 0.9973755 1.715663 
1 1 1    9    2    7 o  501.447   1.5952 244181.70  1530.09 243971.00  2374.86 244331.20  2000.69  501.245   2.4407  501.649   2.0545 -0.4040222 3.190354 
1 1 1    9    2    8 o   66.605   0.8076  4303.11  104.299  4366.80  151.700  4246.02  143.632   67.072   1.1651   66.138   1.1188 0.9337769 1.615293 
1 1 1    9    2    9 o   93.292   0.7291  8446.43  132.028  8308.18  185.165  8589.41  188.306   92.515   1.0310   94.068   1.0312 -1.552757 1.458254 
1 1 1    9    2   10 o  145.719   1.2555 20401.61  324.389 21140.54  600.886 20097.68  385.370  147.553   2.0979  143.885   1.3797 3.668106 2.510925 
1 1 1    9    2   11 o  146.950   1.0722 20965.54  305.839 20863.77  432.365 21067.46  432.678  146.593   1.5194  147.307   1.5131 -0.7140503 2.144327 
1 1 1    9    2   12 f   90.664   0.7810  7974.85  137.401  7761.85  191.551  8200.61  197.202   89.417   1.1036   91.910   1.1053 -2.492485 1.561909 
1 1 1    9    2   13 f   69.467   0.6582  4683.90   88.748  4583.23  124.685  4787.27  126.349   68.711   0.9348   70.224   0.9269 -1.512856 1.316427 
1 1 1    9    2   14 o  180.431   1.1484 31588.77  401.958 32395.55  581.147 30848.82  556.559  182.637   1.6392  178.225   1.6087 4.411240 2.296722 
1 1 1    9    2   15 o  162.230   1.1404 25549.71  358.331 25349.12  489.622 25781.04  525.826  161.548   1.5613  162.911   1.6628 -1.362366 2.280893 
1 1 1    9    2   16 o   83.701   0.7885  6798.02  127.935  6710.65  175.775  6896.44  186.560   83.130   1.0893   84.271   1.1404 -1.140884 1.577059 
1 1 1    9    2   17 o  142.461   1.1924 19734.17  321.565 19767.11  411.688 19682.62  514.982  142.635   1.4869  142.287   1.8645 0.3477936 2.384774 
1 1 1    9    2   18 o  168.544   1.2939 27621.50  422.192 27625.62  576.444 27616.73  620.080  168.568   1.7616  168.519   1.8955 0.4928589E-01 2.587746 
1 1 1    9    2   19 o   52.097   0.7293  2636.22   73.751  2606.65  104.521  2665.54  104.080   51.806   1.0393   52.388   1.0235 -0.5825081 1.458663 
1 1 1    9    2   20 o   42.520   0.9793  1746.68   74.710  1784.41  135.041  1730.05   89.686   42.838   1.6239   42.202   1.0948 0.6364098 1.958509 
1 1 1    9    2   21 o   38.863   1.0940  1512.72   77.176  1604.51   95.404  1338.94  131.274   40.634   1.2095   37.091   1.8232 3.543190 2.187949 
1 1 1    9    2   22 o  173.793   1.5168 29441.70  511.719 29329.19  721.919 29555.32  725.455  173.460   2.1440  174.126   2.1463 -0.6666412 3.033667 
1 1 1    9    2   23 o   57.409   0.7775  3203.74   86.632  3166.55  123.205  3240.11  121.838   57.079   1.1120   57.740   1.0870 -0.6609192 1.555018 
1 1 1    9    2   24 o   72.403   0.8093  5096.55  113.727  4969.79  159.943  5226.18  161.741   71.491   1.1525   73.314   1.1365 -1.822731 1.618615 
1 1 1    9    2   25 o   49.388   0.7992  2372.03   76.504  2402.32  111.579  2345.16  105.098   49.683   1.1569   49.094   1.1028 0.5884819 1.598346 
1 1 1    9    2   26 o   31.063   1.0721  943.485   64.451  927.010   94.416  957.861   88.195   30.800   1.5792   31.325   1.4504 -0.5248604 2.144154 
1 1 1    9    2   27 o   68.351   0.8092  4555.85  107.341  4433.42  151.479  4679.35  152.130   67.425   1.1574   69.277   1.1313 -1.852226 1.618402 
1 1 1    9    2   28 o   17.945   1.7475  322.737   60.658  357.411   86.603  289.345   84.986   18.917   2.3584   16.973   2.5794 1.943254 3.495066 
1 1 1    9    2   29 o   40.094   0.9237  1576.01   71.831  1606.01  104.092  1548.74   99.251   40.452   1.3256   39.737   1.2867 0.7150841 1.847387 
1 1 1    9    2   30 f   24.599   1.3658  605.490   65.190  629.804   93.052  582.053   91.358   25.092   1.9104   24.106   1.9523 0.9858627 2.731528 
1 1 1    9    2   31 o   15.817   2.4515  301.326   75.490  393.500   98.331  169.029  117.805   19.458   2.6034   12.176   4.1547 7.281211 4.903001 
1 1 1    9    3    0 o   99.024   0.7707  9515.01  148.114  9655.85  212.369  9381.61  206.677   99.737   1.0969   98.311   1.0830 1.426376 1.541458 
1 1 1    9    3    1 o  123.118   0.9019 14713.89  215.537 14652.39  304.233 14775.88  305.402  122.860   1.2757  123.376   1.2752 -0.5166321 1.803716 
1 1 1    9    3    2 f  225.934   1.2387 49503.39  538.930 49146.72  716.921 49966.84  817.214  225.003   1.6414  226.866   1.8557 -1.863434 2.477452 
1 1 1    9    3    3 o  220.805   1.2391 47195.23  526.101 46376.94  694.975 48293.58  805.168  218.572   1.6380  223.038   1.8597 -4.465134 2.478199 
1 1 1    9    3    4 o  199.379   1.1728 38631.00  451.375 38995.24  608.646 38185.85  672.852  200.426   1.5644  198.332   1.7477 2.094727 2.345572 
1 1 1    9    3    5 o  258.262   1.2504 64743.59  626.806 64157.01  880.073 65347.45  892.942  257.075   1.7636  259.449   1.7730 -2.373779 2.500739 
1 1 1    9    3    6 o   99.882   0.7383  9683.71  143.079  9686.00  205.573  9681.56  199.262   99.893   1.0601   99.871   1.0278 0.2262115E-01 1.476596 
1 1 1    9    3    7 o  398.729   1.4635 154458.70  1124.88 153517.70  1690.84 155205.91  1506.67  397.631   2.1906  399.827   1.9412 -2.196472 2.926951 
1 1 1    9    3    8 o   59.989   0.6819  3524.22   77.491  3645.44  100.221  3344.01  122.195   61.284   0.8425   58.694   1.0725 2.589375 1.363809 
1 1 1    9    3    9 o  228.820   1.1719 50875.72  518.599 50309.52  764.900 51357.43  705.513  227.638   1.7310  230.002   1.5802 -2.364075 2.343781 
1 1 1    9    3   10 o  144.665   0.9430 20315.42  264.808 20199.75  373.444 20432.40  375.556  144.251   1.3337  145.079   1.3335 -0.8283234 1.885989 
1 1 1    9    3   11 o  145.238   1.0503 20477.81  296.090 20633.93  421.432 20325.62  416.087  145.784   1.4892  144.691   1.4814 1.093018 2.100549 
1 1 1    9    3   12 o  111.241   0.8246 12013.34  178.055 12046.23  251.973 11980.54  251.642  111.393   1.1653  111.089   1.1669 0.3041611 1.649123 
1 1 1    9    3   13 o   62.631   0.7685  3786.86   89.792  3885.45  150.215  3732.05  112.006   63.260   1.2233   62.003   0.9306 1.256786 1.537006 
1 1 1    9    3   14 o  120.552   0.9198 14104.56  215.197 13843.47  300.100 14380.92  308.754  119.404   1.2947  121.699   1.3069 -2.295311 1.839692 
1 1 1    9    3   15 f  152.243   1.4607 22441.38  422.461 22123.44  542.312 22932.14  673.759  150.896   1.8514  153.589   2.2598 -2.693192 2.921416 
1 1 1    9    3   16 o   24.074   1.0118  563.136   47.269  550.579   67.059  575.537   66.640   23.807   1.4511   24.341   1.4104 -0.5342064 2.023550 
1 1 1    9    3   17 o   56.685   0.7934  3091.19   84.342  3010.76  105.687  3232.23  139.960   55.683   0.9778   57.686   1.2499 -2.003326 1.586894 
1 1 1    9    3   18 o  122.238   1.1515 14499.22  256.964 14452.09  313.725 14595.29  447.916  121.966   1.3251  122.509   1.8835 -0.5430603 2.302900 
1 1 1    9    3   19 o  143.767   1.2642 20099.23  352.790 19914.09  496.168 20288.53  501.719  143.098   1.7862  144.436   1.7894 -1.338531 2.528367 
1 1 1    9    3   20 o   80.266   0.8151  6259.17  126.993  6210.53  179.859  6307.53  179.334   79.954   1.1588   80.577   1.1465 -0.6228027 1.630166 
1 1 1    9    3   21 o  119.324   1.3205 13858.23  288.011 13863.06  499.986 13855.83  352.341  119.282   2.1593  119.367   1.5206 -0.8482361E-01 2.641008 
1 1 1    9    3   22 o   81.214   0.8366  6409.73  131.884  6320.00  185.661  6501.12  187.376   80.640   1.1860   81.788   1.1802 -1.147911 1.673199 
1 1 1    9    3   23 o   60.424   0.7817  3549.00   91.667  3520.97  130.651  3576.17  128.645   60.188   1.1183   60.660   1.0925 -0.4719658 1.563348 
1 1 1    9    3   24 o   57.267   0.7926  3189.34   88.047  3168.91  126.639  3208.47  122.498   57.088   1.1428   57.447   1.0985 -0.3592186 1.585120 
1 1 1    9    3   25 o   52.147   0.8049  2644.76   81.206  2666.28  120.068  2626.61  110.245   52.337   1.1818   51.957   1.0931 0.3799934 1.609809 
1 1 1    9    3   26 o   45.882   0.8389  2048.06   74.588  2099.90  109.309  2002.90  102.034   46.420   1.2131   45.343   1.1592 1.076893 1.677896 
1 1 1    9    3   27 o   19.254   1.6440  372.012   60.461  306.363   87.367  432.347   83.756   17.561   2.5629   20.947   2.0598 -3.386053 3.288088 
1 1 1    9    3   28 o   20.318   1.5921  420.314   60.961  312.117   87.263  523.445   85.196   17.633   2.5494   23.004   1.9079 -5.370270 3.184255 
1 1 1    9    3   29 o   38.025   0.9761  1412.67   71.834  1525.52  106.744  1319.27   97.115   39.400   1.3957   36.650   1.3651 2.750324 1.952241 
1 1 1    9    3   30 o   22.802   1.5159  527.304   66.649  479.247   96.674  570.837   92.012   21.745   2.2902   23.858   1.9868 -2.112411 3.031886 
1 1 1    9    3   31 o   26.796   1.6007  720.490   81.971  659.234  105.406  814.227  130.389   25.460   2.1328   28.133   2.3876 -2.672873 3.201490 
1 1 1    9    4    0 o  169.494   1.1035 27888.95  363.070 28035.72  513.189 27741.86  513.729  169.940   1.5557  169.047   1.5655 0.8931885 2.207030 
1 1 1    9    4    1 o  256.114   1.3129 63583.98  645.934 63014.12  852.354 64352.75  989.998  254.772   1.7235  257.455   1.9809 -2.682541 2.625718 
1 1 1    9    4    2 o  181.060   1.1030 31831.63  385.729 31901.36  520.497 31746.67  574.498  181.281   1.4791  180.838   1.6366 0.4431763 2.205922 
1 1 1    9    4    3 o  142.208   0.9608 19638.51  264.548 19741.79  361.965 19520.08  387.606  142.611   1.3075  141.806   1.4081 0.8043060 1.921544 
1 1 1    9    4    4 f  295.408   1.5389 84713.73  869.086 84661.80  1134.52 84787.48  1352.05  295.306   1.9791  295.510   2.3570 -0.2038269 3.077703 
1 1 1    9    4    5 o  353.262   1.3828 121102.80  940.489 121556.30  1425.54 120753.20  1251.50  353.841   2.0754  352.682   1.8280 1.159332 2.765686 
1 1 1    9    4    6 o  284.116   1.2909 78492.87  701.470 77624.53  1086.48 79113.58  918.582  282.760   1.9794  285.472   1.6576 -2.711731 2.581833 
1 1 1    9    4    7 o  209.918   1.1194 42777.93  454.393 42779.89  672.659 42776.28  616.258  209.921   1.6507  209.916   1.5124 0.5249023E-02 2.238770 
1 1 1    9    4    8 o  448.467   1.5685 194875.70  1338.30 197340.00  2120.49 193244.30  1725.33  450.801   2.4232  446.134   1.9922 4.667725 3.137005 
1 1 1    9    4    9 o  160.056   1.0055 24883.14  311.816 24635.86  453.995 25103.96  429.013  159.302   1.4681  160.810   1.3743 -1.508347 2.011019 
1 1 1    9    4   10 o  233.968   1.2656 53303.66  564.552 52306.04  881.680 53996.93  734.986  232.100   1.9569  235.836   1.6055 -3.736526 2.531215 
1 1 1    9    4   11 o  104.042   0.8162 10508.20  164.840 10501.62  232.561 10514.83  233.681  104.009   1.1519  104.075   1.1567 -0.6531525E-01 1.632386 
1 1 1    9    4   12 o   91.220   0.8696  8060.10  148.513  8147.97  245.476  8009.37  186.521   91.609   1.3804   90.832   1.0578 0.7764282 1.739128 
1 1 1    9    4   13 o  140.597   0.9465 19190.70  258.297 19456.32  368.382 18933.81  362.268  141.554   1.3406  139.640   1.3365 1.913528 1.892991 
1 1 1    9    4   14 o  187.788   1.3320 34299.14  483.383 34734.45  655.667 33780.84  715.453  189.103   1.7862  186.473   1.9765 2.629745 2.664011 
1 1 1    9    4   15 o   83.044   0.7536  6694.30  121.461  6593.24  170.188  6799.21  173.401   82.405   1.0639   83.682   1.0675 -1.277168 1.507120 
1 1 1    9    4   16 o   57.970   0.6657  3263.13   74.870  3255.91  107.708  3269.88  104.146   57.908   0.9582   58.032   0.9245 -0.1248589 1.331470 
1 1 1    9    4   17 o  146.540   1.1095 20866.91  315.596 20839.97  443.691 20894.51  448.998  146.446   1.5608  146.635   1.5774 -0.1896820 2.219049 
1 1 1    9    4   18 o  137.878   1.1196 18487.87  299.236 18705.19  413.839 18249.75  433.190  138.733   1.5367  137.023   1.6286 1.710419 2.239161 
1 1 1    9    4   19 o  143.785   1.5451 20130.79  407.327 20141.01  499.942 20110.60  702.513  143.910   1.7896  143.661   2.5191 0.2490845 3.090123 
1 1 1    9    4   20 o  143.633   1.2661 20067.13  352.980 20244.03  502.195 19894.39  496.236  144.258   1.7934  143.008   1.7876 1.250122 2.532109 
1 1 1    9    4   21 o   85.289   0.8484  7067.30  140.398  7118.81  201.870  7019.04  195.394   85.589   1.2150   84.990   1.1844 0.5992813 1.696764 
1 1 1    9    4   22 o   43.815   1.0535  1814.78   82.493  2000.91  152.811  1738.23   97.999   45.339   1.7363   42.290   1.1938 3.048717 2.107054 
1 1 1    9    4   23 o   61.169   0.7932  3637.99   94.069  3609.31  136.151  3664.19  130.121   60.936   1.1510   61.402   1.0917 -0.4661217 1.586398 
1 1 1    9    4   24 o   57.917   0.7853  3265.87   88.146  3157.73  126.903  3366.68  122.527   56.986   1.1472   58.848   1.0726 -1.862061 1.570520 
1 1 1    9    4   25 o   34.548   0.9851  1167.36   65.663  1119.42   97.216  1207.58   89.044   33.884   1.4780   35.211   1.3027 -1.326820 1.970188 
1 1 1    9    4   26 o   45.876   0.8626  2047.14   76.524  2095.49  113.902  2007.36  103.314   46.362   1.2656   45.391   1.1725 0.9711456 1.725295 
1 1 1    9    4   27 o   8.7110   2.3994   48.975   59.119   25.871   85.727   69.927   81.638   8.1731   3.3608   9.2490   3.4255 -1.075974 4.798842 
1 1 1    9    4   28 o   8.1120   2.3789   24.859   61.247   24.894   90.817   24.830   82.950   8.2588   3.4334   7.9653   3.2938 0.2935638 4.757830 
1 1 1    9    4   29 o   37.421   0.9705  1366.83   70.263  1524.11  104.002  1234.77   95.302   39.393   1.3601   35.449   1.3849 3.943569 1.941098 
1 1 1    9    4   30 o   33.745   1.0983  1129.24   71.687  1110.00  105.380  1145.82   97.805   33.446   1.6231   34.044   1.4800 -0.5981216 2.196540 
1 1 1    9    4   31 o   39.029   1.2309  1501.52   90.972  1420.13  115.243  1636.10  148.190   37.760   1.5722   40.298   1.8944 -2.537853 2.461859 
1 1 1    9    5    0 o  392.176   1.9455 149332.41  1480.72 147949.30  2067.10 150790.09  2122.10  390.314   2.7282  394.039   2.7744 -3.725586 3.891058 
1 1 1    9    5    1 o  246.081   1.2897 58752.56  610.169 58526.88  808.081 59051.91  930.664  245.535   1.6954  246.626   1.9440 -1.090591 2.579428 
1 1 1    9    5    2 o  216.902   1.2131 45639.05  506.887 45408.63  675.513 45935.98  766.833  216.278   1.6090  217.525   1.8160 -1.246964 2.426288 
1 1 1    9    5    3 o  296.418   1.4878 85165.67  830.265 84742.02  1051.54 85867.02  1352.98  295.451   1.8335  297.385   2.3437 -1.934448 2.975676 
1 1 1    9    5    4 o  131.672   0.8842 16824.01  225.974 16537.58  316.076 17123.48  323.193  130.526   1.2475  132.818   1.2535 -2.291946 1.768488 
1 1 1    9    5    5 o  287.145   1.3045 80040.23  727.111 79569.95  1021.60 80523.05  1035.11  286.290   1.8383  287.999   1.8515 -1.709015 2.609099 
1 1 1    9    5    6 o  359.201   1.3927 125288.20  963.828 125099.30  1454.17 125436.30  1287.17  358.953   2.0870  359.449   1.8447 -0.4962463 2.785393 
1 1 1    9    5    7 o  278.481   1.2390 75294.94  666.648 75229.34  991.555 75349.05  900.565  278.367   1.8350  278.595   1.6652 -0.2279053 2.477942 
1 1 1    9    5    8 o  173.747   1.0305 29319.71  346.842 29068.79  505.731 29542.54  476.584  173.043   1.5056  174.450   1.4074 -1.406494 2.060917 
1 1 1    9    5    9 o  380.204   1.4622 140258.09  1069.60 141131.30  1627.02 139593.59  1419.42  381.236   2.1985  379.173   1.9284 2.062378 2.924460 
1 1 1    9    5   10 o  138.370   1.1721 18488.85  299.837 18913.60  511.437 18266.40  370.115  139.569   1.8877  137.172   1.3900 2.397034 2.344251 
1 1 1    9    5   11 o   55.205   0.7218  2952.22   73.425  2977.86  125.672  2938.94   90.474   55.385   1.1689   55.025   0.8470 0.3607521 1.443537 
1 1 1    9    5   12 o   87.284   0.7215  7394.39  122.241  7299.26  171.447  7492.76  174.339   86.713   1.0185   87.854   1.0223 -1.141830 1.443076 
1 1 1    9    5   13 o  123.795   0.8993 14880.05  216.118 14871.36  305.047 14888.81  306.229  123.759   1.2698  123.831   1.2739 -0.7243347E-01 1.798687 
1 1 1    9    5   14 o  228.462   1.4903 50748.33  637.671 50845.70  802.918 50582.01  1049.38  228.791   1.8079  228.133   2.3696 0.6580200 2.980510 
1 1 1    9    5   15 o  158.661   1.1288 24570.25  341.968 23778.87  529.392 25136.92  447.973  156.445   1.7432  160.876   1.4345 -4.431137 2.257545 
1 1 1    9    5   16 o  158.572   1.0372 24427.14  319.268 24574.86  452.539 24280.75  450.495  159.049   1.4657  158.094   1.4679 0.9548035 2.074432 
1 1 1    9    5   17 o   69.033   0.8401  4670.83  107.748  4479.79  178.844  4779.68  134.998   67.907   1.3567   70.158   0.9913 -2.250732 1.680262 
1 1 1    9    5   18 o   74.348   0.7521  5367.73  108.533  5434.78  154.680  5302.70  152.324   74.806   1.0652   73.891   1.0620 0.9144516 1.504144 
1 1 1    9    5   19 o   58.678   0.7293  3342.40   83.022  3389.45  119.917  3299.09  115.055   59.074   1.0457   58.283   1.0170 0.7916069 1.458673 
1 1 1    9    5   20 o   32.040   1.1215  983.351   68.141  933.094   86.537  1065.36  110.546   30.983   1.4388   33.096   1.7207 -2.112738 2.242991 
1 1 1    9    5   21 o   32.016   0.9765  1000.47   60.269  958.767   89.605  1034.91   81.443   31.401   1.4700   32.631   1.2858 -1.230148 1.953000 
1 1 1    9    5   22 o  101.029   0.9597  9925.06  188.203  9802.21  266.420 10047.44  265.899  100.404   1.3669  101.655   1.3475 -1.250755 1.919441 
1 1 1    9    5   23 o   36.809   1.1838  1361.05   76.649  1217.96  138.412  1424.34   92.052   35.343   2.0175   38.275   1.2390 -2.932091 2.367539 
1 1 1    9    5   24 o   43.237   0.8785  1821.57   73.501  1775.46  107.532  1862.02  100.698   42.718   1.2967   43.756   1.1855 -1.037537 1.757005 
1 1 1    9    5   25 f   36.292   0.9727  1279.52   68.349  1336.55  101.076  1231.46   92.777   37.032   1.4061   35.553   1.3443 1.479305 1.945307 
1 1 1    9    5   26 o   36.159   0.9837  1276.79   68.688  1267.53  102.270  1284.39   92.712   36.030   1.4623   36.289   1.3161 -0.2595024 1.967326 
1 1 1    9    5   27 o   10.098   2.5008   92.511   60.309  108.768   90.577   79.564   80.833   10.670   3.6431   9.5270   3.4270 1.142666 5.001644 
1 1 1    9    5   28 o   43.300   0.8914  1840.55   74.654  1758.95  108.763  1913.25  102.656   42.371   1.3223   44.228   1.1957 -1.857101 1.782772 
1 1 1    9    5   29 o   13.159   2.4254  186.941   62.270  191.379   93.915  183.459   83.183   13.266   3.5689   13.053   3.2854 0.2128448 4.850839 
1 1 1    9    5   30 o   17.089   2.0325  304.871   65.471  360.730   96.687  257.569   88.973   18.721   2.6606   15.458   3.0734 3.263010 4.065056 
1 1 1    9    5   31 o   39.159   1.4526  1576.05  108.693  1383.95  161.492  1735.13  146.963   36.768   2.2627   41.550   1.8221 -4.782352 2.905118 
1 1 1    9    6    0 o  224.424   1.2454 48861.88  537.975 48633.42  714.952 49160.05  816.805  223.823   1.6455  225.025   1.8699 -1.201904 2.490854 
1 1 1    9    6    1 o  194.745   1.1588 36795.31  435.336 36623.73  583.321 37011.03  654.049  194.235   1.5471  195.255   1.7256 -1.020233 2.317590 
1 1 1    9    6    2 o   81.963   0.6660  6520.02  105.918  6771.98  150.721  6274.19  148.876   83.527   0.9296   80.399   0.9539 3.128685 1.331937 
1 1 1    9    6    3 o   95.827   0.7482  8918.97  139.073  9110.27  194.427  8718.54  199.010   96.880   1.0339   94.774   1.0817 2.106064 1.496330 
1 1 1    9    6    4 o  195.528   1.1113 37105.39  421.704 36745.18  589.742 37482.29  603.247  194.558   1.5615  196.499   1.5815 -1.941315 2.222500 
1 1 1    9    6    5 o  201.276   1.1156 39322.31  435.820 38978.13  611.295 39678.10  621.518  200.380   1.5716  202.171   1.5837 -1.790955 2.231110 
1 1 1    9    6    6 o  308.162   1.3246 92163.71  779.797 92373.99  1216.70 92017.12  1015.87  308.452   2.0320  307.871   1.6998 0.5816956 2.649256 
1 1 1    9    6    7 o  170.055   1.0066 28065.76  331.480 28172.59  486.418 27973.12  452.939  170.356   1.4709  169.754   1.3745 0.6022949 2.013183 
1 1 1    9    6    8 o   40.815   0.6717  1626.45   50.074  1645.30   61.387  1588.97   86.566   41.171   0.7681   40.459   1.1022 0.7120361 1.343439 
1 1 1    9    6    9 o   67.974   0.6351  4479.26   83.750  4277.60  116.204  4697.22  120.811   66.384   0.9018   69.564   0.8947 -3.179909 1.270268 
1 1 1    9    6   10 o  349.761   1.5906 118755.80  1018.52 118935.60  1763.58 118665.80  1247.62  349.927   2.5963  349.594   1.8385 0.3325195 3.181292 
1 1 1    9    6   11 o  127.773   0.9606 15853.39  238.077 15756.76  342.942 15943.27  330.773  127.397   1.3867  128.150   1.3297 -0.7531357 1.921222 
1 1 1    9    6   12 o  143.442   0.9628 19979.77  267.755 20027.20  369.628 19927.39  388.395  143.623   1.3258  143.262   1.3966 0.3608398 1.925689 
1 1 1    9    6   13 o   45.964   0.7881  1991.55   66.092  1885.60   79.759  2223.72  118.071   44.072   0.9323   47.856   1.2710 -3.784393 1.576244 
1 1 1    9    6   14 o  111.577   0.8741 12086.45  189.311 12255.89  269.306 11920.93  266.175  112.350   1.2348  110.804   1.2375 1.545990 1.748201 
1 1 1    9    6   15 o   60.532   0.6448  3558.09   75.733  3532.03  108.496  3582.85  105.762   60.316   0.9267   60.749   0.8969 -0.4328613 1.289592 
1 1 1    9    6   16 o  142.473   0.9932 19718.64  274.462 19736.07  380.819 19699.80  395.916  142.540   1.3763  142.405   1.4322 0.1357727 1.986331 
1 1 1    9    6   17 o   44.013   0.7045  1880.67   60.178  1901.36   86.112  1860.93   84.131   44.250   1.0025   43.777   0.9900 0.4728088 1.408962 
1 1 1    9    6   18 o   47.664   0.7237  2207.64   66.903  2170.00   96.151  2242.96   93.150   47.269   1.0479   48.058   0.9985 -0.7894478 1.447434 
1 1 1    9    6   19 o  103.608   0.9527 10430.73  191.598 10435.47  272.544 10426.10  269.404  103.630   1.3548  103.585   1.3398 0.4521179E-01 1.905421 
1 1 1    9    6   20 o  109.086   1.0018 11564.86  212.118 11668.92  302.494 11464.19  297.529  109.568   1.4222  108.604   1.4113 0.9642563 2.003620 
1 1 1    9    6   21 o   77.797   0.9690  5864.98  140.321  5817.67  174.821  5950.66  235.264   77.375   1.1639   78.219   1.5495 -0.8438644 1.937923 
1 1 1    9    6   22 o   37.183   0.9684  1352.82   69.307  1267.63  102.978  1423.35   93.707   36.101   1.4695   38.264   1.2616 -2.163898 1.936737 
1 1 1    9    6   23 o   29.143   1.3207  829.321   74.297  844.903  100.458  810.509  110.386   29.452   1.7571   28.833   1.9722 0.6189137 2.641412 
1 1 1    9    6   24 o   16.534   2.4485  287.862   70.221  243.657  131.482  305.502   83.058   15.403   4.2561   17.666   2.4220 -2.263263 4.896965 
1 1 1    9    6   25 o   56.514   0.8033  3103.37   87.794  3164.69  130.516  3052.69  118.651   57.018   1.1792   56.011   1.0913 1.006157 1.606665 
1 1 1    9    6   26 o   13.718   2.3486  196.926   61.839  178.695   91.922  211.998   83.578   13.112   3.5322   14.323   3.0963 -1.210788 4.697160 
1 1 1    9    6   27 o   15.025   2.0858  226.681   59.612  362.636   90.203  121.263   79.429   19.119   2.4304   10.931   3.3905 8.187719 4.171641 
1 1 1    9    6   28 o   22.991   1.4454  525.499   64.053  518.332   96.038  531.242   85.966   22.817   2.1683   23.164   1.9118 -0.3472576 2.890744 
1 1 1    9    6   29 o   19.272   1.6402  380.671   59.792  331.564   91.625  417.095   78.911   18.080   2.6107   20.465   1.9864 -2.384981 3.280471 
1 1 1    9    6   30 o   29.592   1.1654  870.380   66.222  866.090  101.133  873.600   87.618   29.478   1.7674   29.707   1.5194 -0.2293816 2.330726 
1 1 1    9    6   31 o   40.349   1.3314  1642.42  102.006  1632.22  161.410  1649.19  131.622   40.085   2.0744   40.612   1.6696 -0.5275345 2.662792 
1 1 1    9    7    0 o  254.565   1.3092 62807.63  639.723 62219.26  842.052 63610.77  983.808  253.162   1.7135  255.968   1.9800 -2.806168 2.618444 
1 1 1    9    7    1 o  347.908   1.7388 117209.10  1143.68 116138.50  1457.04 118927.30  1845.88  345.860   2.1702  349.956   2.7172 -4.095886 3.477520 
1 1 1    9    7    2 o  275.433   1.3636 73481.82  720.300 72587.04  945.303 74720.57  1112.26  273.444   1.7809  277.423   2.0654 -3.979767 2.727146 
1 1 1    9    7    3 o  209.371   1.1409 42553.39  463.683 42514.16  652.240 42593.47  659.310  209.273   1.6056  209.468   1.6215 -0.1947632 2.281880 
1 1 1    9    7    4 o   58.654   0.5419  3338.72   61.692  3315.87   86.282  3362.63   88.243   58.448   0.7605   58.859   0.7723 -0.4106827 1.083881 
1 1 1    9    7    5 o  295.510   1.3669 84781.87  782.330 84762.65  1145.33 84798.69  1071.16  295.476   1.9968  295.544   1.8671 -0.6817627E-01 2.733751 
1 1 1    9    7    6 o  297.088   1.2568 85781.86  721.583 84641.08  1068.44 86738.52  978.432  295.267   1.8641  298.910   1.6863 -3.643402 2.513640 
1 1 1    9    7    7 o  119.577   1.1759 13878.31  272.009 13846.43  369.438 13916.05  401.975  119.428   1.5936  119.726   1.7296 -0.2976913 2.351798 
1 1 1    9    7    8 o  169.226   1.0080 27821.97  330.579 27389.79  479.506 28213.46  456.370  167.971   1.4706  170.480   1.3790 -2.508911 2.016042 
1 1 1    9    7    9 f  202.395   1.1929 39859.98  459.311 39309.88  723.059 40232.14  594.716  201.217   1.8512  203.574   1.5049 -2.357742 2.385722 
1 1 1    9    7   10 o  160.127   1.0145 24897.25  314.770 24812.89  458.630 24972.38  432.797  159.870   1.4779  160.385   1.3901 -0.5152893 2.028921 
1 1 1    9    7   11 o  264.409   1.4776 67889.63  758.327 67397.04  1063.34 68399.44  1081.77  263.434   2.0794  265.384   2.0999 -1.950195 2.955225 
1 1 1    9    7   12 o   41.779   0.8276  1709.17   62.554  1735.68   76.096  1653.93  109.854   42.285   0.9271   41.273   1.3712 1.011856 1.655155 
1 1 1    9    7   13 o  170.009   1.0249 28066.96  338.230 28217.22  478.992 27917.53  477.669  170.463   1.4475  169.555   1.4513 0.9078522 2.049778 
1 1 1    9    7   14 o  230.164   1.2899 51458.31  576.306 51067.79  812.676 51853.38  817.385  229.286   1.8259  231.043   1.8225 -1.757187 2.579811 
1 1 1    9    7   15 o  141.491   1.0778 19445.32  296.031 19653.59  420.468 19240.62  416.857  142.242   1.5228  140.739   1.5258 1.502594 2.155700 
1 1 1    9    7   16 o  125.706   1.0958 15358.02  261.015 15376.79  334.718 15328.91  416.942  125.818   1.3705  125.594   1.7102 0.2240372 2.191563 
1 1 1    9    7   17 o  106.881   0.8793 11095.07  182.428 10965.20  256.716 11227.56  259.289  106.249   1.2447  107.513   1.2424 -1.263748 1.758633 
1 1 1    9    7   18 f  134.534   1.1224 17582.74  293.037 18006.33  421.013 17184.69  408.121  136.104   1.5935  132.964   1.5812 3.139954 2.244898 
1 1 1    9    7   19 o  110.646   1.0053 11897.75  215.926 11798.49  304.922 11997.60  305.810  110.183   1.4256  111.110   1.4179 -0.9266281 2.010664 
1 1 1    9    7   20 o   74.807   0.7878  5435.74  114.393  5492.95  163.027  5380.25  160.555   75.195   1.1169   74.420   1.1114 0.7750549 1.575631 
1 1 1    9    7   21 o   69.536   0.7780  4691.64  104.892  4825.21  152.849  4572.74  144.206   70.469   1.1174   68.603   1.0829 1.866066 1.555999 
1 1 1    9    7   22 o   59.739   0.9392  3501.80  104.752  3590.87  132.154  3351.26  171.814   60.786   1.1200   58.692   1.5080 2.093792 1.878450 
1 1 1    9    7   23 o   48.146   0.8198  2256.31   76.123  2226.97  113.914  2279.98  102.324   47.859   1.2262   48.434   1.0883 -0.5752182 1.639503 
1 1 1    9    7   24 o   46.745   0.8499  2130.93   76.611  2074.66  114.307  2176.83  103.228   46.177   1.2752   47.313   1.1240 -1.136173 1.699827 
1 1 1    9    7   25 o   45.656   1.0352  2005.32   84.544  2102.25  154.534  1963.92  100.999   46.393   1.7159   44.918   1.1583 1.475521 2.070306 
1 1 1    9    7   26 o   32.579   1.0442  1042.39   65.669  956.123   95.242  1120.56   90.667   31.274   1.5688   33.885   1.3784 -2.610201 2.088364 
1 1 1    9    7   27 o   46.400   0.8328  2097.10   74.638  2136.30  111.718  2065.50  100.310   46.780   1.2303   46.020   1.1229 0.7594566 1.665662 
1 1 1    9    7   28 o   29.612   1.1534  857.520   64.730  892.242  104.288  835.761   82.558   30.052   1.7877   29.172   1.4579 0.8808956 2.306796 
1 1 1    9    7   29 o   26.893   1.2881  725.326   66.031  671.075  101.187  765.563   87.143   25.944   2.0092   27.842   1.6124 -1.897867 2.576135 
1 1 1    9    7   30 o   20.581   1.7170  439.251   67.166  384.837  101.470  481.685   89.607   19.305   2.7078   21.856   2.1120 -2.551651 3.434036 
1 1 1    9    7   31 f   11.646   3.0345  144.112   89.021  182.486  140.893  118.613  114.850   12.537   4.5227   10.755   4.0471 1.782244 6.069080 
1 1 1    9    8    0 o  103.775   0.7875 10456.46  158.501 10529.76  219.934 10377.25  228.629  104.154   1.0878  103.396   1.1391 0.7574234 1.575080 
1 1 1    9    8    1 o  143.508   0.9813 20016.42  272.627 20361.24  373.917 19625.08  398.346  144.830   1.3300  142.187   1.4432 2.643723 1.962605 
1 1 1    9    8    2 o  241.273   1.2936 56558.66  600.269 56856.62  797.664 56169.58  911.497  242.010   1.6979  240.536   1.9521 1.473694 2.587239 
1 1 1    9    8    3 o  118.416   0.8432 13611.59  193.823 13649.09  273.084 13573.52  275.143  118.581   1.1864  118.252   1.1986 0.3288422 1.686462 
1 1 1    9    8    4 o  436.500   1.6592 184997.20  1405.85 185604.41  1988.51 184390.50  1987.84  437.216   2.3430  435.784   2.3499 1.432556 3.318343 
1 1 1    9    8    5 o  118.167   0.8489 13554.42  194.717 13579.39  274.066 13528.96  276.695  118.277   1.1937  118.057   1.2074 0.2200089 1.697839 
1 1 1    9    8    6 o   87.183   0.6943  7376.39  117.484  7283.23  164.633  7473.06  167.704   86.622   0.9791   87.744   0.9846 -1.121529 1.388549 
1 1 1    9    8    7 o  233.234   1.1580 52816.66  522.239 52728.95  773.291 52890.21  708.120  233.054   1.7093  233.414   1.5628 -0.3605804 2.316079 
1 1 1    9    8    8 f  146.744   1.0573 20933.02  292.219 20787.64  473.906 21022.21  371.184  146.328   1.6684  147.159   1.2994 -0.8307800 2.114694 
1 1 1    9    8    9 o  159.389   0.9892 24666.29  305.628 24582.84  443.816 24741.56  421.495  159.132   1.4368  159.646   1.3601 -0.5144958 1.978408 
1 1 1    9    8   10 o  124.223   0.8733 14987.86  210.439 14750.51  301.964 15211.98  293.432  123.266   1.2620  125.180   1.2076 -1.914383 1.746634 
1 1 1    9    8   11 o  137.322   1.0291 18305.80  271.656 18289.86  359.854 18326.92  414.214  137.256   1.3506  137.389   1.5531 -0.1331482 2.058245 
1 1 1    9    8   12 o  162.589   1.0949 25647.27  344.749 25993.42  506.712 25348.94  470.406  163.607   1.5955  161.571   1.4998 2.036163 2.189767 
1 1 1    9    8   13 o   63.842   0.6610  3955.44   81.722  3975.39  119.937  3938.14  111.651   63.992   0.9655   63.692   0.9031 0.2996368 1.322023 
1 1 1    9    8   14 o   60.308   0.6605  3530.05   77.266  3551.95  111.538  3509.86  107.135   60.487   0.9499   60.128   0.9179 0.3589935 1.320939 
1 1 1    9    8   15 o  154.061   1.0101 23049.02  302.053 22586.48  424.033 23525.50  430.374  152.492   1.4325  155.630   1.4246 -3.138229 2.020258 
1 1 1    9    8   16 o   66.048   0.6973  4234.06   89.352  4283.00  128.952  4188.87  123.923   66.414   1.0002   65.681   0.9720 0.7330551 1.394683 
1 1 1    9    8   17 o   63.553   0.6918  3917.44   85.251  4015.55  124.020  3829.55  117.381   64.306   0.9935   62.800   0.9629 1.506039 1.383554 
1 1 1    9    8   18 o   86.225   0.8054  7222.18  134.801  7154.56  191.118  7289.13  190.161   85.823   1.1472   86.627   1.1308 -0.8043060 1.610853 
1 1 1    9    8   19 o   51.282   0.7289  2556.67   72.379  2517.47  105.702  2591.28   99.314   50.910   1.0696   51.654   0.9905 -0.7436600 1.457751 
1 1 1    9    8   20 o   76.317   0.7965  5656.70  117.976  5510.30  165.469  5808.06  168.252   75.312   1.1318   77.321   1.1210 -2.008781 1.593003 
1 1 1    9    8   21 o   48.202   0.7779  2259.13   72.598  2235.21  106.251  2280.08   99.427   47.960   1.1413   48.444   1.0573 -0.4831657 1.555751 
1 1 1    9    8   22 o   39.989   0.9069  1557.42   70.226  1510.36  101.995  1599.84   96.835   39.410   1.3332   40.567   1.2297 -1.156376 1.813735 
1 1 1    9    8   23 o   21.072   1.6431  433.181   67.002  426.941   90.936  440.592   99.099   20.911   2.2402   21.233   2.4043 -0.3221321 3.286238 
1 1 1    9    8   24 o   85.167   0.8757  7057.67  144.690  7028.95  207.895  7084.65  201.501   84.995   1.2600   85.339   1.2164 -0.3432159 1.751355 
1 1 1    9    8   25 o   70.800   0.8149  4879.18  111.829  4881.54  162.711  4877.06  153.952   70.810   1.1837   70.789   1.1203 0.2123260E-01 1.629848 
1 1 1    9    8   26 o   27.082   1.3162  749.063   65.999  594.972  103.499  854.664   85.680   24.588   2.1685   29.577   1.4923 -4.988886 2.632357 
1 1 1    9    8   27 o   77.691   0.8488  5888.10  127.752  5945.80  187.110  5837.71  174.851   78.034   1.2352   77.347   1.1646 0.6867981 1.697638 
1 1 1    9    8   28 o   44.162   0.9022  1911.58   76.248  1904.00  117.992  1917.01   99.911   44.052   1.3798   44.271   1.1626 -0.2193985 1.804304 
1 1 1    9    8   29 o   23.900   1.4457  569.505   66.140  575.263  102.548  565.404   86.547   23.949   2.2059   23.851   1.8693 0.9717560E-01 2.891381 
1 1 1    9    8   30 o   11.588   2.5581  147.419   67.175   86.293  100.078  197.541   90.623   9.8455   3.7605   13.330   3.4689 -3.484413 5.116106 
1 1 1    9    8   31 o   12.917   2.7911  154.014   90.699  362.887  139.107  -0.4464  119.623   17.439   4.1663   8.3950   3.7153 9.044149 5.582210 
1 1 1    9    9    0 o  298.095   1.4465 86153.74  832.788 85143.67  1119.61 87404.69  1245.98  296.145   1.9476  300.044   2.1392 -3.898682 2.893001 
1 1 1    9    9    1 o  221.174   1.2327 47540.26  525.453 47932.86  703.832 47045.92  789.776  222.209   1.6317  220.139   1.8482 2.070724 2.465401 
1 1 1    9    9    2 o  280.283   1.2779 76245.11  695.119 75459.20  970.675 77072.41  995.903  278.801   1.7936  281.765   1.8208 -2.963531 2.555815 
1 1 1    9    9    3 o  201.888   1.1251 39566.70  440.908 39577.23  620.684 39555.96  626.432  201.916   1.5836  201.861   1.5987 0.5455017E-01 2.250198 
1 1 1    9    9    4 o  132.360   0.9091 17005.09  233.578 16922.74  328.400 17089.40  332.293  132.036   1.2813  132.685   1.2901 -0.6484680 1.818278 
1 1 1    9    9    5 o  105.122   0.8949 10752.37  178.490 10605.82  283.202 10848.94  229.898  104.525   1.3958  105.720   1.1203 -1.194054 1.789720 
1 1 1    9    9    6 o  181.577   1.0839 32006.51  382.044 32106.77  539.989 31906.04  540.595  181.861   1.5296  181.292   1.5361 0.5695190 2.167807 
1 1 1    9    9    7 o  366.034   1.4439 129994.70  1017.22 130767.20  1544.51 129403.00  1351.80  366.985   2.1681  365.082   1.9075 1.903503 2.887734 
1 1 1    9    9    8 o   97.360   0.7449  9202.12  140.722  9165.24  201.866  9236.99  196.273   97.170   1.0702   97.550   1.0365 -0.3799210 1.489861 
1 1 1    9    9    9 o   58.459   0.6006  3316.91   68.154  3344.38   96.870  3289.98   95.905   58.698   0.8502   58.219   0.8486 0.4792900 1.201214 
1 1 1    9    9   10 o  241.421   1.3349 56675.93  622.073 55814.59  926.708 57382.39  839.265  239.743   1.9913  243.100   1.7785 -3.356216 2.669865 
1 1 1    9    9   11 o  106.633   0.8576 11038.48  177.518 11002.50  250.301 11074.89  251.803  106.458   1.2112  106.808   1.2145 -0.3495865 1.715222 
1 1 1    9    9   12 o  240.947   1.2142 56393.05  565.901 56264.30  835.619 56502.12  769.121  240.686   1.7885  241.207   1.6426 -0.5209808 2.428374 
1 1 1    9    9   13 o  223.599   1.1910 48569.89  515.361 48415.27  758.318 48702.61  702.535  223.262   1.7497  223.936   1.6161 -0.6735687 2.381907 
1 1 1    9    9   14 o  191.857   1.1322 35754.93  420.766 35690.71  615.261 35811.35  576.713  191.691   1.6535  192.023   1.5472 -0.3324280 2.264439 
1 1 1    9    9   15 o  173.864   1.2127 29370.56  409.277 29088.76  576.447 29657.02  581.191  173.023   1.7163  174.705   1.7138 -1.682114 2.425408 
1 1 1    9    9   16 o  126.283   0.9600 15490.62  235.311 15504.99  334.848 15476.59  330.749  126.340   1.3653  126.226   1.3499 0.1146164 1.919958 
1 1 1    9    9   17 f   91.485   0.8110  8126.67  143.959  8184.17  207.229  8073.04  200.134   91.797   1.1629   91.173   1.1308 0.6237564 1.622094 
1 1 1    9    9   18 o   35.527   0.8324  1226.62   56.956  1221.85   86.002  1230.34   76.016   35.464   1.2493   35.591   1.1003 -0.1268158 1.664724 
1 1 1    9    9   19 f  105.024   0.9651 10717.10  196.738 10543.13  276.505 10895.48  279.988  104.161   1.3675  105.887   1.3622 -1.726700 1.930185 
1 1 1    9    9   20 o   36.124   0.9036  1269.17   63.174  1253.88   92.701  1282.43   86.322   35.919   1.3295   36.329   1.2240 -0.4103203 1.807188 
1 1 1    9    9   21 o   42.316   0.8203  1736.08   67.099  1782.64  100.117  1698.11   90.408   42.827   1.2043   41.804   1.1141 1.023628 1.640576 
1 1 1    9    9   22 o   67.121   0.7884  4380.34  102.677  4296.16  146.358  4461.92  144.083   66.484   1.1341   67.757   1.0954 -1.273636 1.576736 
1 1 1    9    9   23 f   55.856   0.7889  3029.67   85.403  3084.32  124.753  2981.46  117.161   56.327   1.1409   55.384   1.0898 0.9434166 1.577763 
1 1 1    9    9   24 o   36.956   1.1555  1363.59   80.642  1518.07  106.555  1156.49  123.375   39.487   1.3901   34.425   1.8463 5.062511 2.311074 
1 1 1    9    9   25 o   38.054   0.9488  1416.03   69.427  1373.33  104.783  1449.44   92.695   37.529   1.4383   38.578   1.2378 -1.048908 1.897599 
1 1 1    9    9   26 o   41.620   0.9103  1698.34   71.770  1649.11  113.877  1730.78   92.441   41.093   1.4276   42.147   1.1299 -1.053665 1.820613 
1 1 1    9    9   27 o   75.391   0.8532  5547.83  124.553  5571.63  182.871  5527.24  170.111   75.526   1.2473   75.255   1.1645 0.2709885 1.706409 
1 1 1    9    9   28 o   36.349   1.0216  1292.87   71.598  1341.93  108.505  1255.03   95.286   36.936   1.5134   35.762   1.3726 1.173782 2.043101 
1 1 1    9    9   29 o   15.588   2.2325  261.688   65.566  221.486   99.014  293.084   87.500   14.215   3.5880   16.962   2.6574 -2.747278 4.464952 
1 1 1    9    9   30 o   11.501   2.6603  145.072   69.083  119.778  103.502  165.393   92.774   10.813   3.8791   12.188   3.6415 -1.374810 5.320557 
1 1 1    9    9   31 f   18.863   2.6623  407.797   93.780  434.660  139.474  385.632  126.695   19.381   3.8430   18.346   3.6855 1.034782 5.324642 
1 1 1    9   10    0 o  379.356   1.7739 139446.30  1272.04 138481.50  1620.91 140993.20  2052.36  377.669   2.2110  381.044   2.7747 -3.375580 3.547851 
1 1 1    9   10    1 o  233.371   1.2655 52762.39  567.521 52122.71  748.998 53624.74  869.639  231.717   1.6652  235.026   1.9062 -3.308624 2.531049 
1 1 1    9   10    2 o  224.140   1.1714 48768.38  509.627 48672.62  716.135 48866.63  725.397  223.917   1.6476  224.363   1.6656 -0.4454041 2.342769 
1 1 1    9   10    3 o  262.199   1.2500 66698.20  635.953 65321.15  884.152 68174.30  915.409  259.397   1.7559  265.001   1.7795 -5.603790 2.499968 
1 1 1    9   10    4 o   47.318   0.4985  2172.45   45.771  2148.67   63.674  2197.88   65.840   47.050   0.6972   47.586   0.7128 -0.5357513 0.9970324 
1 1 1    9   10    5 o  179.934   1.0676 31430.69  372.860 31545.57  525.089 31313.85  529.545  180.266   1.5006  179.602   1.5189 0.6636810 2.135115 
1 1 1    9   10    6 o  533.687   1.7885 276581.41  1852.74 276212.41  2606.10 276958.50  2634.46  533.329   2.5173  534.046   2.5413 -0.7171631 3.576964 
1 1 1    9   10    7 o  310.766   1.4677 93881.19  879.558 92764.22  1317.61 94778.97  1181.29  309.090   2.1960  312.442   1.9477 -3.352081 2.935317 
1 1 1    9   10    8 o  207.677   1.1234 41874.54  451.738 41828.86  662.845 41914.14  617.292  207.570   1.6451  207.785   1.5304 -0.2151337 2.246871 
1 1 1    9   10    9 o  129.236   1.0110 16110.26  247.724 15746.29  316.199 16688.70  398.613  127.361   1.2790  131.111   1.5662 -3.750504 2.022060 
1 1 1    9   10   10 o  145.288   1.0793 20508.98  301.300 20388.36  459.374 20600.05  399.149  144.910   1.6331  145.667   1.4116 -0.7568207 2.158588 
1 1 1    9   10   11 o  205.537   1.1395 41008.13  453.085 41160.61  669.803 40879.49  615.192  205.885   1.6759  205.188   1.5445 0.6973267 2.279099 
1 1 1    9   10   12 o   55.747   0.6333  3017.28   68.518  2942.21   96.870  3092.44   96.927   55.053   0.9064   56.441   0.8847 -1.388203 1.266612 
1 1 1    9   10   13 o  101.404   0.8256  9977.97  162.393 10116.75  235.049  9851.23  224.622  102.078   1.1862  100.730   1.1488 1.347397 1.651285 
1 1 1    9   10   14 o  183.749   1.1939 32844.14  425.050 31867.57  614.552 33739.71  588.516  181.122   1.7479  186.377   1.6267 -5.255035 2.387747 
1 1 1    9   10   15 o   52.251   0.6528  2655.59   66.062  2564.66   95.734  2738.25   91.276   51.395   0.9596   53.107   0.8854 -1.712238 1.305652 
1 1 1    9   10   16 o   97.205   0.8138  9176.29  153.550  9069.11  216.762  9284.24  217.546   96.635   1.1555   97.775   1.1462 -1.139946 1.627576 
1 1 1    9   10   17 o   39.411   0.7464  1507.77   56.915  1515.43   84.054  1501.28   77.345   39.502   1.0962   39.319   1.0134 0.1831551 1.492801 
1 1 1    9   10   18 o   72.286   0.7497  5073.99  105.082  5096.47  152.430  5053.62  145.059   72.437   1.0840   72.134   1.0359 0.3029480 1.499442 
1 1 1    9   10   19 o   65.716   0.7415  4194.56   94.567  4196.65  135.395  4192.57  132.142   65.731   1.0611   65.701   1.0361 0.3084564E-01 1.483069 
1 1 1    9   10   20 o   76.662   0.7952  5705.07  118.282  5546.92  164.393  5874.82  170.316   75.562   1.1208   77.763   1.1283 -2.200859 1.590333 
1 1 1    9   10   21 o   44.023   0.7905  1890.39   67.290  1769.52   97.459  2000.49   93.020   42.671   1.1766   45.376   1.0561 -2.705135 1.581030 
1 1 1    9   10   22 o   8.8510   2.4076   46.286   60.059   7.8974   86.683   81.729   83.290   7.8999   3.3241   9.8020   3.4837 -1.902139 4.815132 
1 1 1    9   10   23 o  104.773   0.9872 10677.34  200.713 10782.18  288.439 10578.91  279.477  105.269   1.4115  104.278   1.3807 0.9914932 1.974495 
1 1 1    9   10   24 o   10.441   2.5133   99.785   61.926   69.986   92.389  124.095   83.446   9.6738   3.6319   11.208   3.4750 -1.533957 5.026548 
1 1 1    9   10   25 o   80.112   1.0110  6184.94  151.295  5997.40  188.427  6525.23  253.822   78.470   1.2370   81.754   1.5994 -3.284348 2.021939 
1 1 1    9   10   26 o   44.324   0.8751  1921.69   74.424  1876.12  113.504  1956.06   98.570   43.845   1.3336   44.803   1.1334 -0.9585075 1.750147 
1 1 1    9   10   27 o   40.111   0.9670  1568.12   74.580  1615.89  114.320  1532.73   98.405   40.622   1.4498   39.601   1.2801 1.020325 1.934041 
1 1 1    9   10   28 o   21.668   1.5819  464.625   65.824  501.521  102.188  438.460   86.055   22.361   2.3542   20.974   2.1136 1.387226 3.163805 
1 1 1    9   10   29 o   20.945   1.6546  438.915   66.785  472.240  102.023  413.927   88.343   21.603   2.4329   20.287   2.2433 1.315571 3.309265 
1 1 1    9   10   30 o   17.947   2.1077  350.709   69.029  297.011  107.115  388.849   90.274   16.374   3.4774   19.519   2.3825 -3.145311 4.215308 
1 1 1    9   10   31 o   12.749   2.9458  198.307   88.986  110.002  144.620  252.111  112.886   10.905   4.4097   14.593   3.9072 -3.687881 5.891644 
1 1 1    9   11    0 o  262.958   1.3371 67082.95  675.319 66818.24  891.778 67438.83  1034.02  262.354   1.7511  263.561   2.0211 -1.207062 2.674136 
1 1 1    9   11    1 o  297.837   1.3577 86097.27  783.319 86433.88  1146.48 85802.56  1072.75  298.380   1.9794  297.293   1.8589 1.087311 2.715398 
1 1 1    9   11    2 o  135.227   0.9277 17748.92  243.505 17554.37  342.605 17947.53  346.158  134.478   1.3124  135.975   1.3114 -1.497574 1.855361 
1 1 1    9   11    3 o  278.459   1.2870 75275.37  695.614 75196.66  977.771 75356.03  989.833  278.312   1.8098  278.606   1.8302 -0.2940674 2.573959 
1 1 1    9   11    4 o  212.303   1.1621 43742.63  478.805 43125.90  668.983 44390.36  685.586  210.770   1.6351  213.837   1.6516 -3.067154 2.324099 
1 1 1    9   11    5 o  328.723   1.4870 104882.90  940.342 105170.00  1429.70 104664.10  1248.36  329.112   2.2379  328.334   1.9587 0.7773743 2.973959 
1 1 1    9   11    6 o  115.628   0.8716 12976.03  195.440 13027.01  282.844 12929.44  270.365  115.845   1.2578  115.411   1.2068 0.4340363 1.743100 
1 1 1    9   11    7 o   86.027   1.2814  7178.40  155.926  7195.02  392.998  7175.30  169.868   86.078   2.3520   85.977   1.0178 0.1007538 2.562764 
1 1 1    9   11    8 o  263.250   1.2750 67270.09  651.452 65730.37  914.850 68853.98  927.873  260.195   1.8113  266.306   1.7949 -6.111420 2.549987 
1 1 1    9   11    9 o  140.988   0.9540 19304.08  260.860 19117.49  375.957 19477.32  362.247  140.331   1.3801  141.646   1.3175 -1.315826 1.907993 
1 1 1    9   11   10 o  229.176   1.1884 50952.36  526.677 51489.62  781.645 50505.60  712.776  230.278   1.7486  228.074   1.6099 2.203918 2.376878 
1 1 1    9   11   11 o   73.370   0.6985  5225.56   99.473  5245.52  141.446  5206.03  139.919   73.509   0.9913   73.232   0.9843 0.2770996 1.396914 
1 1 1    9   11   12 o  135.020   0.9798 17709.63  256.645 17456.31  368.010 17949.48  358.096  134.078   1.4140  135.962   1.3568 -1.883255 1.959642 
1 1 1    9   11   13 o   93.176   0.7676  8429.58  138.773  8400.08  199.173  8457.40  193.461   93.017   1.1031   93.335   1.0678 -0.3176575 1.535233 
1 1 1    9   11   14 o   38.056   0.7136  1401.89   52.627  1477.42   77.285  1336.58   71.862   39.009   1.0206   37.104   0.9977 1.905613 1.427280 
1 1 1    9   11   15 o  105.135   0.8371 10729.74  170.743 10865.59  246.330 10604.11  236.882  105.775   1.1997  104.496   1.1678 1.278870 1.674217 
1 1 1    9   11   16 o   48.151   0.8557  2289.49   76.670  2394.32   96.871  2113.71  125.438   49.656   1.0050   46.646   1.3853 3.010101 1.711457 
1 1 1    9   11   17 o  118.674   0.9287 13681.00  213.932 13740.19  303.395 13622.47  301.702  118.929   1.3142  118.419   1.3125 0.5103836 1.857323 
1 1 1    9   11   18 o  114.688   1.0334 12782.07  230.043 12545.62  323.785 13023.09  326.896  113.617   1.4681  115.760   1.4547 -2.143234 2.066766 
1 1 1    9   11   19 f   54.580   0.7276  2894.67   77.048  2848.09  110.232  2939.16  107.734   54.150   1.0487   55.011   1.0089 -0.8604698 1.455193 
1 1 1    9   11   20 f   60.623   0.7522  3566.64   88.445  3655.83  128.180  3485.59  122.195   61.345   1.0764   59.901   1.0509 1.444111 1.504324 
1 1 1    9   11   21 o   36.253   0.8850  1268.38   62.056  1400.46   92.486  1160.22   83.693   37.958   1.2552   34.549   1.2479 3.408371 1.769972 
1 1 1    9   11   22 o   40.884   0.8900  1625.35   70.623  1617.97  100.439  1632.57   99.322   40.792   1.2684   40.977   1.2487 -0.1847229 1.779909 
1 1 1    9   11   23 o   90.104   0.8963  7884.85  156.585  8113.43  228.190  7681.43  215.263   91.334   1.2871   88.874   1.2477 2.459236 1.792602 
1 1 1    9   11   24 o   47.901   0.8403  2232.34   78.018  2236.50  113.480  2228.61  107.437   47.941   1.2194   47.862   1.1564 0.7841492E-01 1.680525 
1 1 1    9   11   25 o   43.249   0.8775  1826.25   73.257  1779.85  108.766  1864.77   99.109   42.736   1.3111   43.762   1.1667 -1.026058 1.755008 
1 1 1    9   11   26 o   27.470   1.3875  731.395   73.483  638.134   97.820  852.188  111.327   25.484   1.9774   29.455   1.9470 -3.971111 2.775054 
1 1 1    9   11   27 o   33.914   1.0966  1127.69   71.383  1131.86  109.491  1124.61   94.142   33.942   1.6618   33.886   1.4312 0.5599213E-01 2.193141 
1 1 1    9   11   28 o   48.123   0.8813  2270.96   81.658  2255.01  123.339  2283.41  108.958   47.943   1.3253   48.304   1.1620 -0.3606415 1.762580 
1 1 1    9   11   29 o   14.964   2.2976  248.682   65.010  189.537  102.610  288.343   84.026   13.096   3.8080   16.831   2.5719 -3.734220 4.595179 
1 1 1    9   11   30 o   14.088   2.4634  214.416   66.216  268.651  105.176  178.805   85.226   15.492   3.5707   12.684   3.3945 2.807855 4.926745 
1 1 1    9   11   31 o   37.928   1.4067  1461.48  100.099  1463.32  163.626  1460.38  126.540   37.723   2.2345   38.132   1.7095 -0.4083214 2.813425 
1 1 1    9   12    0 o  270.350   1.3542 70956.68  703.237 70960.34  929.727 70951.80  1075.09  270.363   1.7715  270.337   2.0487 0.2545166E-01 2.708380 
1 1 1    9   12    1 o  225.496   1.1762 49361.29  514.850 49302.04  725.158 49421.50  731.094  225.359   1.6576  225.632   1.6692 -0.2725830 2.352446 
1 1 1    9   12    2 o   80.317   0.6583  6261.00  102.634  6377.84  145.811  6146.26  144.493   81.060   0.9267   79.575   0.9354 1.485321 1.316697 
1 1 1    9   12    3 o   13.420   0.9223  172.295   23.644  161.585   30.442  188.579   37.536   12.902   1.2155   13.938   1.3874 -1.035863 1.844508 
1 1 1    9   12    4 o  127.828   1.0001 15880.21  243.144 15769.18  383.764 15954.66  314.270  127.452   1.5511  128.203   1.2628 -0.7514114 2.000185 
1 1 1    9   12    5 o  316.123   1.4690 97069.66  894.711 96680.69  1348.87 97375.26  1195.58  315.551   2.2021  316.695   1.9448 -1.144836 2.937923 
1 1 1    9   12    6 o  213.844   1.1823 44397.16  490.751 44816.52  692.710 43974.58  695.352  214.859   1.6609  212.830   1.6831 2.028442 2.364582 
1 1 1    9   12    7 f  185.477   1.2058 33405.70  429.389 33443.81  566.986 33354.45  657.517  185.605   1.5737  185.349   1.8275 0.2556763 2.411668 
1 1 1    9   12    8 o  220.428   1.1526 47175.72  491.690 47111.99  723.903 47230.30  669.938  220.288   1.6929  220.568   1.5647 -0.2807159 2.305223 
1 1 1    9   12    9 o  242.982   1.2069 57341.89  567.467 57094.21  835.628 57553.85  773.059  242.491   1.7752  243.472   1.6357 -0.9810638 2.413884 
1 1 1    9   12   10 o  176.950   1.0992 30428.75  373.611 30204.61  570.023 30597.56  494.683  176.374   1.6649  177.527   1.4355 -1.152390 2.198309 
1 1 1    9   12   11 o  197.783   1.1703 38025.58  443.920 37734.11  681.341 38240.59  585.172  197.116   1.7806  198.450   1.5190 -1.334412 2.340549 
1 1 1    9   12   12 o   72.731   0.8087  5179.36  110.376  5313.47  140.244  4961.11  178.914   73.981   0.9766   71.480   1.2894 2.501076 1.617481 
1 1 1    9   12   13 o  105.334   0.8150 10776.02  166.566 10644.84  238.611 10900.71  232.624  104.708   1.1739  105.960   1.1310 -1.252213 1.630089 
1 1 1    9   12   14 o   63.856   0.6686  3959.67   82.836  3928.30  118.717  3989.44  115.640   63.609   0.9614   64.103   0.9293 -0.4937210 1.337168 
1 1 1    9   12   15 o   70.023   0.7046  4758.40   95.726  4834.75  138.127  4687.84  132.784   70.563   1.0084   69.483   0.9845 1.079636 1.409276 
1 1 1    9   12   16 o   80.413   0.7536  6282.51  117.578  6149.80  167.771  6410.60  164.830   79.578   1.0861   81.249   1.0451 -1.671547 1.507239 
1 1 1    9   12   17 o   81.308   0.7636  6422.44  120.478  6340.76  172.147  6500.86  168.668   80.801   1.0975   81.816   1.0620 -1.015335 1.527238 
1 1 1    9   12   18 o   42.779   0.7432  1776.96   61.700  1794.48   88.526  1760.41   86.040   42.983   1.0610   42.574   1.0411 0.4093895 1.486452 
1 1 1    9   12   19 o   71.587   0.9259  4963.64  122.828  4925.99  152.202  5033.94  207.991   71.211   1.1010   71.963   1.4889 -0.7513733 1.851806 
1 1 1    9   12   20 f   47.109   0.7732  2158.39   70.622  2055.14  100.445  2259.33   99.315   45.992   1.1251   48.226   1.0609 -2.233421 1.546368 
1 1 1    9   12   21 o   82.904   0.8340  6671.69  134.088  6849.32  194.794  6511.72  184.854   83.950   1.1953   81.858   1.1633 2.092209 1.667988 
1 1 1    9   12   22 o   73.328   0.8125  5226.57  115.645  5155.22  163.204  5298.53  163.892   72.825   1.1545   73.832   1.1435 -1.006348 1.624960 
1 1 1    9   12   23 o   64.915   0.7976  4099.46  100.415  4017.44  144.170  4176.73  139.940   64.281   1.1554   65.548   1.0998 -1.267311 1.595144 
1 1 1    9   12   24 o   73.967   0.8244  5320.62  118.318  5419.88  170.218  5227.82  164.579   74.633   1.1749   73.301   1.1566 1.331413 1.648722 
1 1 1    9   12   25 f   23.412   1.3382  535.052   60.562  553.512   90.468  520.063   81.522   23.769   1.9607   23.055   1.8216 0.7147236 2.676300 
1 1 1    9   12   26 o   10.712   2.4389   98.320   62.378  182.242   92.817   29.195   84.238   13.207   3.5458   8.2167   3.3496 4.990677 4.877738 
1 1 1    9   12   27 o   24.431   1.4512  585.156   67.863  735.134  100.967  461.573   91.653   27.292   1.9058   21.569   2.1890 5.723206 2.902375 
1 1 1    9   12   28 o   16.474   2.1347  312.185   63.161  165.252   96.790  421.159   83.355   12.395   3.7232   20.554   2.0892 -8.158968 4.269310 
1 1 1    9   12   29 o   12.073   2.5350  151.364   62.603  199.381  101.965  122.313   79.311   13.404   3.7640   10.743   3.3966 2.661493 5.069936 
1 1 1    9   12   30 o   23.231   1.5724  539.173   70.236  616.315  108.855  484.152   91.932   24.605   2.2791   21.857   2.1668 2.748135 3.144708 
1 1 1    9   12   31 o   16.850   2.9453  331.460   93.182  400.222  154.601  292.228  116.777   17.969   4.4545   15.730   3.8545 2.238685 5.890620 
1 1 1    9   13    0 o  339.637   1.4196 112019.80  935.069 111280.40  1349.53 112702.60  1296.82  338.556   2.0535  340.717   1.9607 -2.160797 2.839227 
1 1 1    9   13    1 o   99.945   0.7455  9693.15  144.616  9548.25  202.236  9844.78  206.879   99.181   1.0504  100.709   1.0582 -1.528275 1.491059 
1 1 1    9   13    2 o  180.811   1.0700 31726.76  375.476 31281.78  524.652 32193.96  537.590  179.512   1.5056  182.110   1.5207 -2.598190 2.139978 
1 1 1    9   13    3 o  200.152   1.1271 38885.77  437.874 38583.85  614.177 39197.86  624.445  199.363   1.5870  200.942   1.6009 -1.579697 2.254212 
1 1 1    9   13    4 o  127.018   0.9049 15668.71  222.936 15441.07  320.354 15882.47  310.436  126.122   1.3085  127.913   1.2502 -1.790710 1.809770 
1 1 1    9   13    5 o  216.617   1.1888 45552.27  499.877 46041.92  708.585 45067.16  705.291  217.776   1.6762  215.458   1.6863 2.317947 2.377645 
1 1 1    9   13    6 o  297.043   1.4402 85609.53  821.782 85253.05  1085.51 86088.12  1257.77  296.327   1.8871  297.760   2.1761 -1.432739 2.880356 
1 1 1    9   13    7 o  137.627   0.9324 18382.74  249.061 18128.36  348.607 18647.98  355.959  136.655   1.3141  138.600   1.3230 -1.944504 1.864785 
1 1 1    9   13    8 o  262.889   1.2961 67091.75  661.354 66537.90  927.640 67664.28  943.145  261.786   1.8254  263.992   1.8404 -2.205841 2.592190 
1 1 1    9   13    9 o  183.189   1.0807 32597.61  383.582 32295.36  558.423 32867.62  527.805  182.383   1.5773  183.995   1.4778 -1.612350 2.161398 
1 1 1    9   13   10 o  219.585   1.2742 46892.97  541.085 45955.73  796.438 47696.38  737.389  217.539   1.8860  221.631   1.7140 -4.091751 2.548487 
1 1 1    9   13   11 o   48.321   0.6129  2259.08   57.391  2401.90   84.200  2135.17   78.433   49.742   0.8720   46.899   0.8615 2.843067 1.225817 
1 1 1    9   13   12 f   79.019   0.7159  6061.65  109.806  6109.31  155.715  6014.51  154.867   79.328   1.0112   78.710   1.0136 0.6179199 1.431749 
1 1 1    9   13   13 o  234.242   1.3474 53380.94  610.722 52262.00  894.992 54355.98  835.460  231.932   1.9879  236.552   1.8194 -4.619690 2.694812 
1 1 1    9   13   14 o  169.294   1.0649 27844.84  349.506 27723.74  506.830 27954.65  482.612  168.939   1.5455  169.648   1.4655 -0.7090759 2.129840 
1 1 1    9   13   15 o   90.137   0.7702  7887.48  134.681  7951.78  194.028  7827.69  187.096   90.490   1.1046   89.783   1.0735 0.7075653 1.540300 
1 1 1    9   13   16 o   90.351   0.7785  7919.47  136.396  8097.23  198.423  7760.22  187.802   91.310   1.1195   89.391   1.0823 1.918610 1.557087 
1 1 1    9   13   17 o  123.644   1.0219 14860.96  244.944 14750.83  355.154 14960.88  338.268  123.203   1.4850  124.086   1.4044 -0.8821716 2.043881 
1 1 1    9   13   18 o   84.593   0.8266  6951.63  135.719  6928.98  193.033  6973.78  190.857   84.456   1.1774   84.729   1.1604 -0.2736053 1.653140 
1 1 1    9   13   19 o   59.180   0.7358  3403.14   84.471  3362.96  121.360  3440.89  117.648   58.840   1.0625   59.520   1.0183 -0.6797447 1.471666 
1 1 1    9   13   20 o   83.773   0.8352  6813.15  135.711  6969.52  196.521  6670.61  187.635   84.690   1.1954   82.856   1.1666 1.833702 1.670314 
1 1 1    9   13   21 o   43.993   0.8117  1889.58   68.949  1773.01  100.893  1991.72   94.443   42.711   1.2169   45.276   1.0746 -2.564545 1.623451 
1 1 1    9   13   22 o   57.739   0.7985  3240.70   89.479  3178.07  126.585  3303.24  126.500   57.181   1.1404   58.298   1.1178 -1.116859 1.596911 
1 1 1    9   13   23 o   66.325   0.9490  4298.57  118.250  4355.92  150.016  4204.47  192.164   66.933   1.1546   65.718   1.5063 1.214592 1.897934 
1 1 1    9   13   24 o   26.739   1.2687  698.201   65.610  698.952   97.063  697.570   89.030   26.745   1.8696   26.733   1.7156 0.1233101E-01 2.537457 
1 1 1    9   13   25 f   31.977   1.0500  981.689   64.640  1143.35   99.224  862.495   85.200   34.225   1.4935   29.728   1.4764 4.497471 2.100090 
1 1 1    9   13   26 o   28.922   1.1981  824.375   66.746  773.513   98.852  866.993   90.488   28.077   1.8137   29.767   1.5660 -1.689186 2.396232 
1 1 1    9   13   27 o   39.270   0.9485  1505.97   72.173  1571.15  105.999  1449.64   98.545   40.055   1.3633   38.485   1.3191 1.569103 1.896984 
1 1 1    9   13   28 o   55.195   0.8305  2981.57   88.574  2989.92  131.762  2974.69  119.638   55.243   1.2287   55.147   1.1176 0.9650421E-01 1.660946 
1 1 1    9   13   29 o   7.6305   2.2621  -7.9812   64.195 -130.8132  102.171   72.140   82.517   6.1412   2.9494   9.1198   3.4307 -2.978536 4.524222 
1 1 1    9   13   30 o   8.5928   2.4828   33.118   70.266 -45.3416  107.128   92.361   93.088   7.3598   3.3623   9.8258   3.6541 -2.465950 4.965580 
1 1 1    9   13   31 o   48.862   1.3154  2409.18  123.042  2451.24  190.951  2379.32  160.898   49.065   2.0048   48.658   1.7035 0.4077530 2.630824 
1 1 1    9   14    0 o  138.964   0.9315 18746.16  251.255 19060.71  355.647 18432.74  355.011  140.128   1.3075  137.800   1.3272 2.327927 1.863014 
1 1 1    9   14    1 o  167.453   1.0298 27220.50  334.734 27325.66  472.741 27114.76  474.032  167.778   1.4515  167.129   1.4611 0.6488800 2.059572 
1 1 1    9   14    2 o   87.588   0.6937  7445.79  117.935  7563.29  167.701  7330.82  165.884   88.272   0.9787   86.905   0.9833 1.367195 1.387363 
1 1 1    9   14    3 o  303.599   1.4343 89524.70  839.170 89200.29  1264.16 89780.26  1122.04  303.101   2.1486  304.097   1.9008 -0.9956665 2.868678 
1 1 1    9   14    4 o   72.330   0.7198  5076.49   97.206  5084.13  161.342  5072.13  121.791   72.372   1.1485   72.288   0.8679 0.8384705E-01 1.439537 
1 1 1    9   14    5 o   48.557   0.5479  2288.50   51.631  2290.94   73.798  2286.16   72.262   48.582   0.7825   48.532   0.7670 0.5065155E-01 1.095765 
1 1 1    9   14    6 o  171.651   1.0490 28600.15  349.483 28398.35  490.053 28809.01  498.544  171.035   1.4760  172.267   1.4909 -1.231857 2.097928 
1 1 1    9   14    7 o  145.220   0.9712 20472.35  273.786 20614.80  387.374 20330.16  387.011  145.725   1.3694  144.715   1.3777 1.009674 1.942479 
1 1 1    9   14    8 o  176.199   1.0935 30139.89  374.002 30062.69  526.121 30218.75  531.760  175.971   1.5402  176.427   1.5527 -0.4558105 2.187032 
1 1 1    9   14    9 o  138.573   0.9466 18649.62  254.447 18417.14  365.356 18868.58  354.572  137.734   1.3665  139.413   1.3102 -1.679230 1.893133 
1 1 1    9   14   10 o   40.560   0.6522  1593.39   51.276  1716.47   74.341  1481.69   70.818   42.051   0.9107   39.069   0.9338 2.981689 1.304375 
1 1 1    9   14   11 o  137.357   0.9437 18307.06  251.385 18580.35  364.699 18059.67  346.985  138.331   1.3582  136.381   1.3107 1.950119 1.887434 
1 1 1    9   14   12 o  164.591   1.1859 26311.58  378.854 26733.71  536.559 25891.89  535.006  165.908   1.6660  163.274   1.6880 2.634491 2.371723 
1 1 1    9   14   13 o  107.748   0.8291 11274.93  173.369 11131.81  247.147 11413.58  243.261  107.074   1.1891  108.422   1.1558 -1.347786 1.658255 
1 1 1    9   14   14 o   48.852   0.7687  2288.69   68.882  2403.95  120.161  2232.27   84.066   49.753   1.2442   47.950   0.9032 1.803066 1.537407 
1 1 1    9   14   15 o   73.078   0.7086  5185.77  100.523  5150.56  142.410  5220.73  141.913   72.831   1.0073   73.326   0.9970 -0.4947739 1.417287 
1 1 1    9   14   16 o   38.943   0.7404  1471.70   55.890  1491.37   81.546  1454.28   76.751   39.188   1.0720   38.699   1.0217 0.4892998 1.480882 
1 1 1    9   14   17 o   39.250   0.7677  1492.42   58.360  1551.71   86.008  1441.82   79.448   39.970   1.1085   38.530   1.0622 1.440063 1.535306 
1 1 1    9   14   18 o   40.267   0.7928  1574.26   61.894  1589.17   90.015  1560.89   85.243   40.447   1.1465   40.087   1.0954 0.3600502 1.585679 
1 1 1    9   14   19 o   50.194   0.7460  2445.25   72.626  2494.23  105.332  2400.86  100.272   50.673   1.0708   49.716   1.0390 0.9562988 1.492047 
1 1 1    9   14   20 o   99.460   0.9376  9616.65  181.004  9498.77  256.518  9733.55  255.443   98.852   1.3368  100.069   1.3150 -1.216652 1.875180 
1 1 1    9   14   21 o   55.010   0.7542  2929.34   80.344  3095.59  118.751  2788.98  109.108   56.443   1.0838   53.577   1.0491 2.866272 1.508407 
1 1 1    9   14   22 o  139.211   1.2400 18874.23  335.074 18786.81  472.920 18962.35  474.819  138.887   1.7541  139.534   1.7530 -0.6476593 2.479913 
1 1 1    9   14   23 o   95.562   0.9262  8882.30  171.750  8960.65  246.535  8808.41  239.404   95.969   1.3234   95.155   1.2961 0.8140717 1.852348 
1 1 1    9   14   24 o   11.809   2.4481  134.426   62.369  201.182   91.815   77.229   84.987   13.962   3.4157   9.6551   3.5080 4.307178 4.896229 
1 1 1    9   14   25 o   16.244   1.9682  261.246   60.182  319.189   91.074  216.334   80.182   17.973   2.6104   14.515   2.9464 3.458166 3.936389 
1 1 1    9   14   26 o   34.217   1.0480  1142.75   69.488  1180.34  101.926  1110.11   94.981   34.737   1.5116   33.697   1.4520 1.039154 2.096018 
1 1 1    9   14   27 o   51.193   0.8436  2560.41   83.546  2578.55  123.582  2545.14  113.379   51.346   1.2399   51.041   1.1443 0.3049240 1.687251 
1 1 1    9   14   28 o   16.494   2.0896  287.138   64.170  251.949   96.894  314.629   85.644   15.324   3.3508   17.664   2.4977 -2.340310 4.179286 
1 1 1    9   14   29 o   14.580   2.3950  229.468   67.323  306.240  100.054  165.951   91.007   16.878   3.1702   12.281   3.5907 4.596956 4.789922 
1 1 1    9   14   30 o   9.2991   2.6585   57.257   76.477   99.213  104.317   8.5031  112.449   10.190   3.8520   8.4077   3.6651 1.782724 5.317017 
1 1 1    9   14   31 o   11.456   3.1346  134.040   98.318  192.237  154.170   94.148  127.641   12.642   4.7023   10.270   4.1462 2.372797 6.269204 
1 1 1    9   15    0 o   90.714   0.6986  7987.25  123.009  7960.40  172.680  8014.91  175.271   90.560   0.9823   90.869   0.9936 -0.3094406 1.397219 
1 1 1    9   15    1 o  381.053   1.4830 140995.09  1096.40 140422.50  1574.21 141534.50  1527.91  380.299   2.1324  381.806   2.0615 -1.507172 2.965993 
1 1 1    9   15    2 o  216.335   1.1615 45430.57  487.730 45114.43  685.615 45754.47  693.969  215.573   1.6384  217.097   1.6467 -1.523560 2.322944 
1 1 1    9   15    3 o  280.289   1.2956 76232.09  704.571 75109.38  978.273 77442.12  1015.60  278.146   1.8118  282.431   1.8525 -4.284668 2.591211 
1 1 1    9   15    4 o  182.599   1.1394 32362.02  402.144 32299.75  543.893 32437.11  597.284  182.407   1.5361  182.791   1.6833 -0.3839874 2.278807 
1 1 1    9   15    5 o  296.409   1.3352 85294.21  768.131 84914.88  1076.98 85686.95  1095.87  295.739   1.8760  297.079   1.9003 -1.340271 2.670302 
1 1 1    9   15    6 o  211.677   1.1587 43500.28  476.125 43794.66  674.133 43207.27  672.553  212.391   1.6351  210.962   1.6423 1.429413 2.317487 
1 1 1    9   15    7 o  232.342   1.2348 52410.87  556.915 52623.79  786.276 52196.51  788.925  232.816   1.7398  231.868   1.7528 0.9476013 2.469646 
1 1 1    9   15    8 o  209.867   1.1877 42761.75  483.850 42435.27  682.093 43092.43  686.462  209.060   1.6808  210.673   1.6786 -1.612656 2.375417 
1 1 1    9   15    9 o   88.216   0.7281  7543.04  124.504  7752.96  181.929  7358.13  170.751   89.368   1.0487   87.063   1.0103 2.304794 1.456212 
1 1 1    9   15   10 o  179.759   1.1723 31403.40  407.776 31048.36  599.227 31709.63  556.504  178.808   1.7264  180.709   1.5864 -1.901535 2.344613 
1 1 1    9   15   11 o  131.162   0.9115 16705.98  231.951 16633.68  332.955 16774.16  323.313  130.885   1.3105  131.438   1.2672 -0.5532227 1.822936 
1 1 1    9   15   12 o  100.376   0.7958  9782.00  155.052  9768.86  220.595  9794.83  217.982  100.309   1.1329  100.442   1.1180 -0.1336136 1.591657 
1 1 1    9   15   13 o  229.657   1.2208 51235.24  542.567 51233.46  799.096 51236.77  739.031  229.646   1.7926  229.669   1.6577 -0.2279663E-01 2.441545 
1 1 1    9   15   14 o  117.773   0.9685 13476.97  221.205 13587.17  307.025 13358.02  318.980  118.275   1.3373  117.270   1.4012 1.005638 1.936934 
1 1 1    9   15   15 o   37.960   0.6969  1404.40   51.092  1337.93   75.050  1461.81   69.752   37.119   1.0416   38.801   0.9261 -1.682278 1.393727 
1 1 1    9   15   16 o   47.657   0.6858  2207.67   63.372  2142.43   90.909  2269.34   88.388   46.971   0.9970   48.343   0.9419 -1.372501 1.371570 
1 1 1    9   15   17 o   86.572   0.8170  7281.56  137.247  7228.37  196.429  7332.29  191.844   86.262   1.1731   86.882   1.1375 -0.6200256 1.634002 
1 1 1    9   15   18 o   67.315   0.7485  4401.79   97.779  4370.36  139.518  4432.13  137.075   67.078   1.0715   67.552   1.0453 -0.4735565 1.496931 
1 1 1    9   15   19 o   66.801   0.7495  4323.66   97.043  4533.85  142.090  4139.89  132.855   68.318   1.0714   65.283   1.0484 3.034470 1.499007 
1 1 1    9   15   20 o   33.637   0.9445  1104.55   61.214  1057.87   91.231  1142.78   82.557   32.984   1.4249   34.290   1.2403 -1.305607 1.889067 
1 1 1    9   15   21 o   47.227   0.7731  2165.71   70.427  2182.77  105.900  2152.18   94.303   47.391   1.1512   47.064   1.0322 0.3271103 1.546181 
1 1 1    9   15   22 o   41.857   0.9085  1706.13   73.694  1651.57  106.311  1756.60  102.246   41.209   1.3290   42.505   1.2392 -1.295692 1.817099 
1 1 1    9   15   23 o   53.419   0.9475  2799.85   95.995  2892.70  124.405  2663.20  150.918   54.538   1.1751   52.299   1.4866 2.239414 1.894917 
1 1 1    9   15   24 o   27.831   1.5021  762.938   77.363  772.719   96.255  745.091  130.023   28.125   1.7631   27.537   2.4324 0.5875511 3.004179 
1 1 1    9   15   25 o   10.207   2.4991   95.669   61.024   69.856   92.247  115.756   81.373   9.5976   3.6236   10.816   3.4427 -1.218047 4.998280 
1 1 1    9   15   26 o   53.170   0.8393  2759.04   86.565  2715.77  124.171  2799.95  120.743   52.758   1.2125   53.581   1.1609 -0.8230553 1.678592 
1 1 1    9   15   27 o   35.782   0.9974  1238.76   68.673  1382.31  105.991  1134.90   90.155   37.533   1.4548   34.031   1.3648 3.502258 1.994720 
1 1 1    9   15   28 o   11.431   2.5322  134.794   62.986  171.273   93.565  104.563   85.177   12.589   3.6294   10.273   3.5321 2.315353 5.064448 
1 1 1    9   15   29 o   28.784   1.2911  821.246   71.894  889.234  107.208  765.683   96.918   29.850   1.8502   27.719   1.8012 2.131323 2.582154 
1 1 1    9   15   30 o   11.324   2.7987  139.895   76.819  165.238  103.302  108.546  114.896   12.072   3.8828   10.576   4.0318 1.495819 5.597416 
1 1 1    9   16    0 o  187.649   1.0894 34171.19  396.759 33590.30  554.582 34780.23  567.857  186.016   1.5359  189.282   1.5455 -3.265884 2.178850 
1 1 1    9   16    1 o  174.850   1.0504 29675.74  356.502 29426.12  500.989 29931.81  507.413  174.105   1.4824  175.595   1.4886 -1.489517 2.100802 
1 1 1    9   16    2 o  244.874   1.2246 58171.16  581.813 56948.74  807.266 59492.46  839.283  242.200   1.7170  247.549   1.7466 -5.349060 2.449212 
1 1 1    9   16    3 o  213.747   1.2360 44330.07  510.131 44116.03  686.196 44594.51  762.726  213.173   1.6582  214.321   1.8333 -1.147705 2.472015 
1 1 1    9   16    4 f   89.844   0.7160  7832.15  124.852  7692.67  174.332  7979.03  178.892   89.023   1.0088   90.665   1.0165 -1.641762 1.432087 
1 1 1    9   16    5 o   73.393   0.7643  5207.53  104.540  5303.80  174.989  5154.11  130.360   73.917   1.2195   72.869   0.9216 1.048431 1.528602 
1 1 1    9   16    6 o  133.694   0.9335 17351.28  242.266 17411.21  342.826 17291.50  342.405  133.925   1.3187  133.464   1.3216 0.4612122 1.867002 
1 1 1    9   16    7 o  368.449   1.4705 131799.91  1051.59 130720.90  1471.78 132925.20  1503.06  366.910   2.0664  369.989   2.0928 -3.078461 2.941051 
1 1 1    9   16    8 o  148.834   0.9958 21504.84  287.682 21382.05  405.298 21629.53  408.407  148.406   1.4069  149.262   1.4095 -0.8562775 1.991514 
1 1 1    9   16    9 o  191.101   1.1371 35452.97  421.756 35141.77  590.018 35778.13  603.102  190.244   1.5977  191.958   1.6185 -1.713806 2.274245 
1 1 1    9   16   10 o   82.736   0.7067  6645.42  113.475  6638.95  162.377  6651.61  158.643   82.697   1.0115   82.776   0.9873 -0.7920837E-01 1.413481 
1 1 1    9   16   11 o  162.133   1.1403 25523.10  358.845 25123.93  502.400 25938.85  512.726  160.839   1.6091  163.426   1.6162 -2.587234 2.280667 
1 1 1    9   16   12 o  163.802   1.0852 26106.16  342.489 25638.85  514.465 26478.10  458.976  162.477   1.6312  165.127   1.4319 -2.649918 2.170478 
1 1 1    9   16   13 o  115.157   0.8875 12877.64  198.288 12875.07  285.237 12880.05  275.842  115.145   1.2761  115.169   1.2338 -0.2420807E-01 1.775070 
1 1 1    9   16   14 o  128.086   0.9287 15933.57  230.772 15967.53  332.431 15901.99  320.611  128.216   1.3357  127.956   1.2908 0.2603149 1.857445 
1 1 1    9   16   15 o  121.683   0.9736 14382.29  229.948 14147.88  323.440 14621.86  326.979  120.681   1.3807  122.686   1.3730 -2.005455 1.947124 
1 1 1    9   16   16 o   19.526   1.2320  368.639   46.546  412.948   68.481  330.593   63.457   20.612   1.7116   18.441   1.7727 2.170446 2.464098 
1 1 1    9   16   17 o   53.583   0.6962  2788.65   72.382  2776.93  103.881  2799.71  100.912   53.473   1.0008   53.693   0.9682 -0.2199173 1.392466 
1 1 1    9   16   18 o   90.953   0.8707  8037.17  153.715  7869.63  216.867  8206.33  217.910   89.999   1.2413   91.906   1.2214 -1.906578 1.741493 
1 1 1    9   16   19 o   40.114   0.8069  1558.45   62.555  1613.30   93.571  1514.12   84.114   40.749   1.1829   39.479   1.0976 1.269554 1.613701 
1 1 1    9   16   20 o   74.282   0.7845  5364.93  113.045  5241.46  161.588  5483.29  158.206   73.443   1.1334   75.122   1.0849 -1.678848 1.568976 
1 1 1    9   16   21 o   39.716   0.8521  1522.82   65.420  1650.01   98.117  1421.03   87.779   41.197   1.2269   38.234   1.1827 2.963146 1.704129 
1 1 1    9   16   22 o  129.242   1.1668 16259.18  292.669 16537.39  419.440 15995.21  408.568  130.318   1.6581  128.167   1.6422 2.150040 2.333656 
1 1 1    9   16   23 o   85.874   0.8719  7174.95  145.304  7135.49  207.450  7212.96  203.586   85.640   1.2479   86.108   1.2180 -0.4684677 1.743750 
1 1 1    9   16   24 o   53.333   0.8045  2772.67   83.121  2689.27  120.324  2848.80  114.962   52.559   1.1793   54.107   1.0946 -1.547722 1.608999 
1 1 1    9   16   25 o   6.7471   2.1266 -53.1780   60.351 -130.9187   87.787   16.490   83.104   5.6206   2.7081   7.8736   3.2797 -2.252923 4.253260 
1 1 1    9   16   26 o   18.609   1.8345  355.783   63.070  283.850   91.949  419.702   86.674   16.603   2.9615   20.614   2.1661 -4.010414 3.669097 
1 1 1    9   16   27 o   14.089   2.3003  211.926   61.160  203.355   93.970  218.226   80.558   13.765   3.5069   14.414   2.9777 -0.6485958 4.600542 
1 1 1    9   16   28 f   16.347   2.1894  292.346   66.258  201.327   98.356  367.969   89.653   13.583   3.6515   19.112   2.4166 -5.528753 4.378719 
1 1 1    9   16   29 o   6.3712   2.1221 -87.5806   67.549 -77.9586   99.528 -95.7978   91.976   6.6472   3.1073   6.0951   2.8911 0.5520325 4.244246 
1 1 1    9   16   30 o   9.6346   2.8266   61.364   85.797   53.103  135.458   66.898  110.873   9.7764   4.1367   9.4927   3.8531 0.2837105 5.653206 
1 1 1    9   17    0 o  183.265   1.0805 32604.50  384.341 32629.42  539.949 32578.89  547.204  183.336   1.5172  183.193   1.5388 0.1424713 2.160944 
1 1 1    9   17    1 o  407.075   1.5393 160901.91  1215.63 160741.91  1749.58 161051.30  1690.27  406.876   2.2152  407.273   2.1380 -0.3967285 3.078629 
1 1 1    9   17    2 o  224.768   1.2686 49012.38  550.037 48740.36  736.735 49354.93  826.765  224.067   1.6938  225.469   1.8890 -1.401947 2.537194 
1 1 1    9   17    3 o  145.575   1.0650 20552.71  295.710 20466.86  383.600 20678.45  464.237  145.203   1.3609  145.947   1.6386 -0.7436523 2.130086 
1 1 1    9   17    4 o  142.463   0.9525 19700.22  263.393 19428.51  370.685 19977.31  374.330  141.471   1.3498  143.455   1.3442 -1.984268 1.904980 
1 1 1    9   17    5 o  272.615   1.3050 72158.39  690.582 72467.99  974.328 71845.84  978.950  273.203   1.8372  272.027   1.8539 1.176056 2.610015 
1 1 1    9   17    6 f  151.316   0.9928 22221.99  291.591 21860.57  408.711 22596.65  416.134  150.063   1.4031  152.568   1.4051 -2.505478 1.985665 
1 1 1    9   17    7 o  141.271   0.9772 19362.94  267.875 19796.21  385.469 18958.27  372.528  142.798   1.3906  139.744   1.3733 3.054504 1.954398 
1 1 1    9   17    8 o   50.140   0.6021  2440.17   58.597  2415.82   82.531  2464.93   83.210   49.888   0.8522   50.392   0.8506 -0.5045547 1.204113 
1 1 1    9   17    9 o  171.889   1.0948 28681.34  365.229 28330.97  510.819 29047.78  522.399  170.816   1.5405  172.962   1.5559 -2.146729 2.189553 
1 1 1    9   17   10 o   57.149   0.6212  3170.17   68.905  3253.08   97.972  3089.01   96.930   57.889   0.8719   56.410   0.8852 1.478798 1.242457 
1 1 1    9   17   11 o  152.564   1.0017 22603.01  296.287 22581.02  429.990 22622.90  408.835  152.491   1.4526  152.636   1.3798 -0.1450958 2.003497 
1 1 1    9   17   12 o   63.233   0.6423  3881.65   78.840  3825.01  111.318  3938.64  111.675   62.770   0.9136   63.696   0.9032 -0.9256744 1.284679 
1 1 1    9   17   13 o  217.833   1.2610 46200.25  525.646 45538.86  811.942 46677.46  689.682  216.467   1.9323  219.199   1.6209 -2.731461 2.522073 
1 1 1    9   17   14 o   66.163   0.6658  4246.62   85.472  4390.34  123.089  4112.78  118.778   67.243   0.9430   65.083   0.9402 2.160179 1.331583 
1 1 1    9   17   15 o   75.892   0.7079  5591.22  104.269  5423.54  146.165  5764.97  148.786   74.734   1.0075   77.051   0.9948 -2.316948 1.415868 
1 1 1    9   17   16 o   89.513   0.8058  7782.10  140.006  7812.94  198.777  7751.74  197.228   89.689   1.1417   89.337   1.1373 0.3516769 1.611513 
1 1 1    9   17   17 o   46.390   0.7203  2094.61   64.625  2030.34   94.683  2150.67   88.424   45.721   1.0668   47.059   0.9680 -1.338184 1.440512 
1 1 1    9   17   18 o  142.104   1.2509 19637.78  345.011 19848.01  492.499 19435.20  483.465  142.849   1.7761  141.358   1.7619 1.490921 2.501745 
1 1 1    9   17   19 o   77.827   0.8002  5886.07  120.859  5727.17  171.037  6044.54  170.804   76.777   1.1476   78.878   1.1155 -2.100807 1.600436 
1 1 1    9   17   20 o   89.948   0.8745  7860.85  152.628  7966.52  219.593  7762.08  212.289   90.532   1.2495   89.365   1.2238 1.166542 1.748987 
1 1 1    9   17   21 o   17.905   1.7065  309.588   58.477  391.552   87.548  243.565   78.575   20.028   2.2519   15.783   2.5647 4.245209 3.413012 
1 1 1    9   17   22 o   87.368   0.8773  7423.47  148.769  7336.18  210.881  7509.94  209.905   86.855   1.2508   87.881   1.2304 -1.025322 1.754542 
1 1 1    9   17   23 o   15.790   2.0215  249.506   59.838  321.263   87.457  186.351   82.048   18.101   2.4890   13.479   3.1860 4.621701 4.043012 
1 1 1    9   17   24 o   18.899   1.6815  349.472   61.480  369.927   91.589  332.696   82.944   19.394   2.4328   18.403   2.3218 0.9910374 3.362964 
1 1 1    9   17   25 o   9.9971   2.4291   85.978   60.964   24.856   88.995  140.023   83.684   8.3016   3.4202   11.693   3.4502 -3.390961 4.858177 
1 1 1    9   17   26 o   17.315   1.8677  299.482   62.510  294.903   92.310  303.360   84.952   17.169   2.7697   17.461   2.5064 -0.2916279 3.735367 
1 1 1    9   17   27 o   30.368   1.1160  923.516   64.365  814.787   98.168  1005.51   85.247   28.720   1.7608   32.015   1.3717 -3.294489 2.232041 
1 1 1    9   17   28 o   27.178   1.3121  728.650   68.979  799.733  102.854  670.543   92.992   28.370   1.8676   25.986   1.8435 2.384640 2.624225 
1 1 1    9   17   29 o   22.984   1.5556  532.539   69.264  562.688  102.041  506.779   94.322   23.573   2.2300   22.396   2.1696 1.176880 3.111290 
1 1 1    9   17   30 o   9.3739   2.7309   49.654   85.815 -66.9376  144.588  113.059  106.626   8.2318   3.8129   10.516   3.9108 -2.284214 5.461870 
1 1 1    9   18    0 o   48.186   0.5060  2253.14   47.320  2213.24   66.297  2294.56   67.562   47.752   0.7152   48.621   0.7158 -0.8693161 1.011911 
1 1 1    9   18    1 o  213.542   1.1770 44268.58  487.834 44261.38  684.092 44276.03  695.862  213.524   1.6504  213.559   1.6786 -0.3454590E-01 2.354058 
1 1 1    9   18    2 o   56.574   0.7186  3105.03   78.885  3164.69  113.478  3049.24  109.736   57.099   1.0238   56.048   1.0086 1.051174 1.437178 
1 1 1    9   18    3 o  275.586   1.2966 73731.21  693.580 73420.87  973.209 74051.52  988.714  274.997   1.8231  276.174   1.8443 -1.177582 2.593267 
1 1 1    9   18    4 o   43.276   0.5476  1810.75   45.910  1686.76   62.717  1953.88   67.387   41.687   0.7750   44.866   0.7737 -3.179512 1.095150 
1 1 1    9   18    5 o  178.880   1.0888 31051.31  377.976 30534.92  527.260 31597.22  542.127  177.351   1.5315  180.409   1.5480 -3.058182 2.177605 
1 1 1    9   18    6 o  125.785   0.9086 15356.85  221.848 15128.54  311.494 15591.87  316.035  124.837   1.2854  126.734   1.2846 -1.897255 1.817288 
1 1 1    9   18    7 o  217.759   1.2008 46032.70  507.518 45594.96  710.045 46489.94  725.690  216.701   1.6880  218.816   1.7085 -2.115494 2.401673 
1 1 1    9   18    8 o   57.345   0.6119  3190.84   68.098  3104.36   95.315  3281.00   97.327   56.552   0.8683   58.138   0.8624 -1.586647 1.223765 
1 1 1    9   18    9 o  157.158   1.0730 23996.91  326.827 23710.76  474.062 24256.12  451.192  156.263   1.5628  158.054   1.4706 -1.791000 2.145946 
1 1 1    9   18   10 o   47.607   0.7218  2175.83   64.114  2287.73  107.826  2114.63   79.741   48.542   1.1443   46.672   0.8802 1.869637 1.443637 
1 1 1    9   18   11 f   12.226   2.0557  157.781   47.738  182.169   58.509  109.212   82.568   13.692   2.2013   10.759   3.4724 2.932914 4.111395 
1 1 1    9   18   12 o   89.553   0.7659  7786.74  133.128  7753.57  189.245  7819.23  187.312   89.364   1.0909   89.742   1.0752 -0.3780136 1.531756 
1 1 1    9   18   13 o  117.629   0.9781 13432.77  223.284 13163.02  311.356 13718.38  320.381  116.414   1.3778  118.843   1.3888 -2.429764 1.956269 
1 1 1    9   18   14 f   70.978   0.7010  4889.90   96.570  4767.90  135.121  5017.29  138.069   70.074   0.9934   71.883   0.9895 -1.809341 1.402074 
1 1 1    9   18   15 o   66.388   0.6841  4279.89   88.154  4239.83  124.876  4319.68  124.463   66.078   0.9735   66.698   0.9613 -0.6196823 1.368180 
1 1 1    9   18   16 o   40.955   0.7409  1629.38   58.885  1609.05   83.907  1649.10   82.658   40.703   1.0620   41.207   1.0334 -0.5042267 1.481747 
1 1 1    9   18   17 o   99.893   0.9202  9695.64  178.431  9630.92  252.697  9760.00  251.984   99.560   1.3075  100.226   1.2952 -0.6659164 1.840407 
1 1 1    9   18   18 o  106.493   0.9793 11020.60  202.417 10825.23  284.583 11220.63  287.967  105.538   1.3891  107.449   1.3806 -1.911026 1.958508 
1 1 1    9   18   19 o   62.487   0.7514  3794.03   91.036  3776.70  131.896  3809.79  125.809   62.349   1.0898   62.625   1.0349 -0.2754364 1.502877 
1 1 1    9   18   20 o   58.000   0.7555  3270.75   84.895  3229.83  123.532  3307.38  116.864   57.654   1.1038   58.346   1.0318 -0.6921539 1.510956 
1 1 1    9   18   21 o   69.109   0.7845  4642.88  105.227  4567.77  149.483  4716.67  148.152   68.553   1.1233   69.664   1.0956 -1.110748 1.569097 
1 1 1    9   18   22 o   10.122   2.4672   88.545   60.394   51.906   85.800  124.525   85.026   8.9753   3.4682   11.269   3.5100 -2.293953 4.934402 
1 1 1    9   18   23 o   9.1462   2.6767   11.010   69.117   79.427  137.124 -12.2923   80.026   11.165   4.3649   7.1271   3.0996 4.038140 5.353463 
1 1 1    9   18   24 o   21.666   1.9118  454.723   75.709  438.274   91.911  489.443  133.529   21.125   2.2413   22.206   3.0977 -1.081089 3.823501 
1 1 1    9   18   25 o   32.495   1.0657  1027.82   67.082  1116.65   98.533  951.076   91.583   33.799   1.5018   31.191   1.5126 2.607944 2.131481 
1 1 1    9   18   26 o   12.804   2.3390  167.070   60.431  242.803   90.318  105.684   81.314   15.237   3.1574   10.371   3.4517 4.866250 4.677974 
1 1 1    9   18   27 o   25.635   1.2898  645.568   63.654  688.503   97.623  613.814   83.955   26.347   1.9088   24.923   1.7353 1.423666 2.579692 
1 1 1    9   18   28 o   10.071   2.5651   93.761   64.586  123.801   94.880   67.822   88.166   10.968   3.7287   9.1742   3.5235 1.793776 5.130153 
1 1 1    9   18   29 o   12.439   2.6168  174.062   68.042  156.585  102.540  187.811   90.951   11.903   3.8721   12.975   3.5211 -1.072067 5.233682 
1 1 1    9   18   30 o   19.214   2.4225  420.577   83.252  372.192  137.745  448.424  104.497   17.712   4.0891   20.716   2.5986 -3.003796 4.844903 
1 1 1    9   19    0 o  400.381   1.4785 155600.09  1148.67 154128.59  1598.65 157170.50  1651.56  398.426   2.0670  402.335   2.1147 -3.909119 2.957074 
1 1 1    9   19    1 o  258.000   1.3291 64625.63  662.378 64624.64  893.562 64626.82  986.859  258.002   1.7842  257.999   1.9705 0.3295898E-02 2.658208 
1 1 1    9   19    2 o  228.614   1.2076 50738.57  535.820 50603.92  751.323 50877.96  764.375  228.306   1.6953  228.923   1.7201 -0.6164703 2.415105 
1 1 1    9   19    3 f  275.124   1.3036 73489.81  696.189 74044.12  986.640 72940.17  982.493  276.158   1.8405  274.091   1.8466 2.066681 2.607168 
1 1 1    9   19    4 o  196.587   1.1312 37518.69  431.666 37480.02  608.609 37557.83  612.343  196.486   1.5957  196.689   1.6038 -0.2036285 2.262370 
1 1 1    9   19    5 o  233.028   1.2311 52694.36  556.701 51676.47  775.806 53774.86  799.308  230.709   1.7323  235.346   1.7496 -4.636810 2.462113 
1 1 1    9   19    6 o  206.581   1.1666 41422.02  467.754 40782.54  654.128 42091.17  669.134  204.950   1.6442  208.212   1.6556 -3.261795 2.333279 
1 1 1    9   19    7 o   84.518   0.7151  6929.57  117.282  6777.36  163.012  7092.91  168.867   83.557   1.0050   85.480   1.0177 -1.922920 1.430294 
1 1 1    9   19    8 o  259.685   1.3127 65483.45  661.635 65093.47  928.072 65886.52  943.507  258.899   1.8467  260.470   1.8660 -1.570801 2.625311 
1 1 1    9   19    9 o  148.597   1.0184 21437.90  293.744 21723.92  418.456 21160.04  412.444  149.574   1.4412  147.620   1.4393 1.953903 2.036840 
1 1 1    9   19   10 o  159.706   1.0478 24768.30  324.780 24732.76  455.532 24805.05  463.180  159.590   1.4704  159.822   1.4930 -0.2317657 2.095501 
1 1 1    9   19   11 f   52.004   0.6124  2624.82   61.774  2639.20   89.253  2611.59   85.585   52.141   0.8818   51.868   0.8500 0.2730904 1.224812 
1 1 1    9   19   12 o  126.441   0.9318 15520.23  228.666 15223.19  319.871 15830.68  327.012  125.204   1.3161  127.677   1.3194 -2.473564 1.863603 
1 1 1    9   19   13 o  133.524   0.9837 17334.84  253.733 17139.27  376.727 17497.21  343.269  132.829   1.4611  134.219   1.3175 -1.390656 1.967372 
1 1 1    9   19   14 o   98.601   0.8290  9437.27  158.601  9585.36  228.601  9299.83  220.225   99.346   1.1854   97.856   1.1593 1.489502 1.658082 
1 1 1    9   19   15 o   42.831   0.6801  1781.56   56.452  1778.29   82.190  1784.48   77.672   42.794   0.9894   42.869   0.9334 -0.7553101E-01 1.360183 
1 1 1    9   19   16 o  204.984   1.2056 40870.07  478.939 40558.97  695.824 41150.16  660.222  204.232   1.7551  205.736   1.6532 -1.504578 2.411109 
1 1 1    9   19   17 o   69.369   0.7452  4674.55  100.317  4634.25  143.106  4713.50  140.665   69.074   1.0673   69.663   1.0402 -0.5893936 1.490333 
1 1 1    9   19   18 o  108.880   0.9909 11521.75  209.426 11576.35  298.147 11468.58  294.239  109.134   1.4074  108.626   1.3954 0.5078659 1.981880 
1 1 1    9   19   19 o   40.511   0.8024  1584.28   62.772  1692.32   94.751  1499.77   83.800   41.732   1.1696   39.289   1.0988 2.443077 1.604790 
1 1 1    9   19   20 o   21.125   1.4027  446.744   55.947  357.768   83.518  519.172   75.353   19.154   2.2463   23.097   1.6806 -3.943634 2.805428 
1 1 1    9   19   21 o   47.826   0.8101  2226.84   75.064  2151.90  108.389  2295.91  104.055   47.049   1.1868   48.603   1.1029 -1.554031 1.620125 
1 1 1    9   19   22 o   34.955   0.9990  1188.02   67.648  1204.85   99.132  1173.35   92.546   35.184   1.4515   34.726   1.3729 0.4579430 1.997911 
1 1 1    9   19   23 o   51.491   0.8045  2575.44   80.089  2626.33  119.205  2533.56  108.128   51.949   1.1821   51.033   1.0915 0.9157639 1.608949 
1 1 1    9   19   24 o   39.644   0.9163  1534.54   70.267  1496.33  103.031  1567.76   96.079   39.175   1.3549   40.114   1.2339 -0.9398384 1.832507 
1 1 1    9   19   25 o   42.952   0.8750  1795.05   72.839  1876.06  106.790  1724.57   99.605   43.853   1.2545   42.050   1.2202 1.802074 1.750077 
1 1 1    9   19   26 o   8.9519   2.3659   54.742   60.134 -16.0775   90.985  109.672   80.130   7.4303   3.2663   10.474   3.4237 -3.043220 4.731841 
1 1 1    9   19   27 o   20.768   1.5421  429.603   62.067  461.015   90.679  401.914   85.135   21.481   2.1746   20.054   2.1870 1.427385 3.084120 
1 1 1    9   19   28 o   24.209   1.4542  588.865   67.563  571.237  102.635  602.345   89.752   23.828   2.2189   24.591   1.8802 -0.7629128 2.908412 
1 1 1    9   19   29 o   10.594   2.5888  118.132   65.333   94.446   99.212  136.268   86.813   10.020   3.7632   11.168   3.5560 -1.147786 5.177577 
1 1 1    9   19   30 o   8.3608   2.6600 -34.5556   89.580   49.857  141.975 -90.3876  115.465   9.7486   4.1832   6.9730   3.2869 2.775587 5.320043 
1 1 1    9   20    0 o  494.776   1.7486 237666.30  1678.53 235696.20  2332.48 239782.59  2417.41  492.654   2.4390  496.898   2.5062 -4.244843 3.497112 
1 1 1    9   20    1 o  182.958   1.0888 32496.14  386.706 32390.26  546.178 32602.58  547.595  182.659   1.5404  183.257   1.5393 -0.5977325 2.177691 
1 1 1    9   20    2 o  203.497   1.2257 40222.19  481.012 40049.46  722.089 40359.98  644.938  203.100   1.8315  203.893   1.6295 -0.7927094 2.451476 
1 1 1    9   20    3 o  141.145   0.9526 19339.63  260.979 19389.75  367.319 19288.53  370.867  141.329   1.3389  140.960   1.3554 0.3696594 1.905170 
1 1 1    9   20    4 o  457.860   1.6958 203476.20  1503.11 202183.20  2048.34 204984.80  2212.58  456.293   2.3126  459.426   2.4810 -3.132843 3.391613 
1 1 1    9   20    5 o  219.245   1.2004 46669.93  510.871 46589.88  720.096 46751.05  724.890  219.056   1.6934  219.435   1.7018 -0.3782196 2.400785 
1 1 1    9   20    6 o   81.845   0.7057  6498.05  112.074  6336.32  155.987  6670.62  161.130   80.793   0.9946   82.897   1.0013 -2.103813 1.411343 
1 1 1    9   20    7 o  142.566   0.9799 19732.43  271.173 19478.71  382.461 19988.92  384.540  141.645   1.3910  143.488   1.3806 -1.843414 1.959802 
1 1 1    9   20    8 o  163.926   1.0575 26088.18  336.474 25778.12  472.034 26408.46  479.752  162.936   1.4924  164.916   1.4986 -1.979797 2.114977 
1 1 1    9   20    9 o  151.175   1.0119 22192.16  296.954 22198.95  419.406 22185.34  420.509  151.198   1.4290  151.152   1.4332 0.4658508E-01 2.023843 
1 1 1    9   20   10 o  132.635   1.0480 17064.78  269.175 16826.96  366.895 17342.00  396.124  131.637   1.4358  133.633   1.5271 -1.995132 2.096054 
1 1 1    9   20   11 o  127.740   0.9159 15847.77  226.999 15733.40  325.616 15955.92  316.624  127.290   1.3178  128.189   1.2724 -0.8989258 1.831830 
1 1 1    9   20   12 o  118.998   0.8922 13749.03  205.956 13822.35  297.278 13681.36  285.603  119.302   1.2837  118.695   1.2396 0.6076965 1.784456 
1 1 1    9   20   13 o  209.781   1.1931 42787.50  484.796 42414.75  707.827 43116.88  665.352  208.911   1.7454  210.651   1.6271 -1.739746 2.386221 
1 1 1    9   20   14 o  110.097   0.8751 11772.25  187.017 11951.62  265.797 11596.38  263.185  110.927   1.2344  109.266   1.2408 1.661423 1.750236 
1 1 1    9   20   15 o  133.031   0.9744 17193.09  251.622 17151.02  354.743 17235.69  356.962  132.867   1.3754  133.194   1.3806 -0.3270721 1.948801 
1 1 1    9   20   16 o   95.915   0.8555  8938.55  159.247  8834.51  226.576  9040.11  223.866   95.362   1.2240   96.467   1.1955 -1.105286 1.710935 
1 1 1    9   20   17 o  120.888   1.0831 14205.19  254.163 14328.86  361.011 14083.65  357.890  121.410   1.5318  120.367   1.5317 1.043289 2.166232 
1 1 1    9   20   18 o  120.961   1.0850 14224.80  254.742 14325.42  362.946 14127.11  357.632  121.382   1.5404  120.540   1.5284 0.8414230 2.169969 
1 1 1    9   20   19 o   99.472   0.9360  9619.53  180.712  9553.58  256.532  9684.50  254.610   99.132   1.3331   99.811   1.3141 -0.6792297 1.871905 
1 1 1    9   20   20 o   46.294   0.8138  2087.66   72.863  2021.77  106.776  2145.09   99.678   45.606   1.2061   46.983   1.0929 -1.376602 1.627639 
1 1 1    9   20   21 f   67.102   0.7869  4378.58  102.443  4299.58  146.571  4454.02  143.240   66.508   1.1353   67.696   1.0900 -1.187813 1.573858 
1 1 1    9   20   22 o  106.256   0.9972 10988.45  205.673 10803.96  289.686 11175.99  292.060  105.356   1.4165  107.157   1.4041 -1.801216 1.994431 
1 1 1    9   20   23 o   45.828   0.8420  2045.83   74.709  2023.24  109.319  2065.62  102.336   45.586   1.2354   46.071   1.1443 -0.4851074 1.683909 
1 1 1    9   20   24 o   74.915   0.8195  5465.19  119.118  5508.32  171.451  5424.94  165.617   75.197   1.1746   74.633   1.1432 0.5641479 1.639035 
1 1 1    9   20   25 o   26.789   1.2383  707.272   64.065  653.200   92.920  756.266   88.449   25.791   1.8560   27.787   1.6398 -1.995661 2.476616 
1 1 1    9   20   26 o   20.824   1.4732  440.966   57.639  375.395   89.365  487.675   75.425   19.400   2.3731   22.249   1.7464 -2.849598 2.946402 
1 1 1    9   20   27 o   20.241   1.6960  431.056   63.157  297.600   93.558  542.792   85.607   17.092   2.8198   23.391   1.8854 -6.298450 3.392039 
1 1 1    9   20   28 o   28.644   1.2324  816.372   68.202  801.256  100.913  829.083   92.535   28.364   1.8328   28.923   1.6481 -0.5588245 2.464852 
1 1 1    9   20   29 o   13.758   2.4171  201.367   65.693  301.248  102.083  130.768   85.825   16.561   3.2914   10.955   3.5407 5.605967 4.834245 
1 1 1    9   20   30 o   27.483   1.8658  784.639   98.773  881.522  151.609  713.190  130.195   28.884   2.7040   26.082   2.5715 2.802063 3.731526 
1 1 1    9   21    0 o  236.401   1.2275 54256.37  563.258 54118.44  792.831 54396.92  800.358  236.098   1.7299  236.704   1.7419 -0.6062164 2.454923 
1 1 1    9   21    1 o  185.555   1.1435 33452.07  410.525 33754.58  559.618 33099.60  604.066  186.466   1.5461  184.644   1.6853 1.821915 2.287060 
1 1 1    9   21    2 o  134.539   0.9837 17594.07  256.365 17966.08  353.500 17181.34  372.343  136.042   1.3386  133.036   1.4418 3.006027 1.967404 
1 1 1    9   21    3 o  194.569   1.1260 36754.18  425.255 37038.88  600.356 36467.48  602.453  195.326   1.5834  193.813   1.6013 1.513046 2.251950 
1 1 1    9   21    4 o  123.902   0.8944 14902.65  215.112 14948.17  305.048 14857.62  303.388  124.090   1.2664  123.714   1.2633 0.3763580 1.788776 
1 1 1    9   21    5 o  156.384   1.0059 23743.29  305.359 23802.85  430.671 23683.09  433.024  156.581   1.4169  156.187   1.4282 0.3947449 2.011839 
1 1 1    9   21    6 o  114.427   0.8548 12711.02  189.871 12704.25  268.112 12717.83  268.926  114.396   1.2074  114.457   1.2104 -0.6103516E-01 1.709607 
1 1 1    9   21    7 o  256.695   1.2949 63991.42  645.227 64135.93  909.737 63845.14  915.265  256.987   1.8236  256.403   1.8389 0.5844421 2.589827 
1 1 1    9   21    8 o  145.731   0.9963 20619.88  281.819 20415.77  396.331 20828.63  400.813  145.002   1.4081  146.461   1.4098 -1.458755 1.992519 
1 1 1    9   21    9 o   93.818   0.7683  8544.57  139.914  8432.60  196.886  8658.80  198.864   93.197   1.0883   94.439   1.0848 -1.241814 1.536600 
1 1 1    9   21   10 f  209.069   1.3278 42458.00  538.817 42340.68  755.669 42579.33  768.497  208.777   1.8646  209.362   1.8909 -0.5850830 2.655636 
1 1 1    9   21   11 o  144.165   1.0396 20193.06  290.711 19945.74  417.689 20425.41  404.865  143.306   1.5015  145.023   1.4382 -1.716873 2.079133 
1 1 1    9   21   12 o  156.933   1.1377 23914.33  346.486 23413.85  482.585 24446.82  497.780  155.240   1.6014  158.626   1.6166 -3.385971 2.275490 
1 1 1    9   21   13 o   99.974   0.8703  9708.86  168.861  9611.62  240.576  9803.28  237.073   99.480   1.2458  100.468   1.2156 -0.9885330 1.740602 
1 1 1    9   21   14 o   96.071   0.8676  8963.00  161.677  9009.39  233.559  8920.33  224.031   96.308   1.2493   95.834   1.2043 0.4745789 1.735232 
1 1 1    9   21   15 o   92.449   0.8305  8303.01  149.009  8235.03  212.337  8368.98  209.161   92.075   1.1880   92.823   1.1608 -0.7474365 1.660970 
1 1 1    9   21   16 o   71.020   0.7080  4899.33   97.594  4851.97  138.989  4945.39  137.070   70.681   1.0130   71.359   0.9895 -0.6782608 1.416097 
1 1 1    9   21   17 o  120.368   1.0772 14084.63  251.691 14052.03  356.107 14117.17  355.784  120.229   1.5258  120.508   1.5209 -0.2789459 2.154382 
1 1 1    9   21   18 o   57.832   0.7427  3249.23   83.359  3237.61  119.107  3260.39  116.703   57.731   1.0628   57.934   1.0377 -0.2039413 1.485426 
1 1 1    9   21   19 o   44.800   0.8024  1950.65   69.768  1936.70   99.499  1964.14   97.854   44.642   1.1482   44.959   1.1212 -0.3164330 1.604837 
1 1 1    9   21   20 o  144.419   1.2803 20317.08  358.921 20366.82  510.131 20268.31  505.089  144.593   1.8175  144.246   1.8038 0.3461609 2.560677 
1 1 1    9   21   21 o   22.764   1.4010  503.762   61.632  574.554   89.742  440.567   84.789   24.277   1.9043   21.251   2.0554 3.026030 2.801926 
1 1 1    9   21   22 o   39.150   0.9404  1491.85   71.273  1488.72  104.693  1494.55   97.304   39.107   1.3791   39.192   1.2790 -0.8449173E-01 1.880889 
1 1 1    9   21   23 o   67.087   0.8046  4357.18  104.385  4637.25  156.128  4130.79  140.371   69.021   1.1653   65.152   1.1099 3.869293 1.609271 
1 1 1    9   21   24 o   21.543   1.4517  456.306   60.473  450.210   89.213  461.489   82.253   21.398   2.1478   21.689   1.9537 -0.2904949 2.903410 
1 1 1    9   21   25 o   16.637   1.9716  279.941   61.797  326.837   89.367  236.969   85.547   18.141   2.5377   15.132   3.0182 3.009057 3.943296 
1 1 1    9   21   26 o   39.547   0.9124  1521.40   69.156  1590.32  107.636  1472.95   90.247   40.281   1.3765   38.812   1.1978 1.469040 1.824753 
1 1 1    9   21   27 o   10.772   2.4802  111.157   61.922  173.469   92.301   60.161   83.501   12.669   3.5895   8.8746   3.4236 3.794203 4.960414 
1 1 1    9   21   28 o   26.995   1.2832  735.990   66.233  644.342   98.242  812.357   89.678   25.359   1.9957   28.630   1.6136 -3.270451 2.566423 
1 1 1    9   21   29 o   10.562   2.6387  117.194   67.537  104.137  102.559  127.192   89.743   10.292   3.8338   10.832   3.6266 -0.5408068 5.277369 
1 1 1    9   21   30 o   19.344   2.7260  430.007   97.971  502.116  151.304  377.947  128.561   20.706   3.9076   17.982   3.8019 2.723862 5.451991 
1 1 1    9   22    0 o  384.998   1.5074 143891.30  1123.87 143445.20  1536.01 144405.30  1648.74  384.362   2.0587  385.635   2.2025 -1.273132 3.014812 
1 1 1    9   22    1 o   59.401   0.7226  3422.30   78.547  3433.12  136.186  3416.91   96.151   59.470   1.1797   59.331   0.8348 0.1386375 1.445212 
1 1 1    9   22    2 o   79.743   0.6817  6172.49  105.522  6180.80  149.652  6164.27  148.813   79.797   0.9661   79.690   0.9620 0.1067200 1.363391 
1 1 1    9   22    3 o  357.082   1.4452 123816.90  1001.67 123811.80  1406.68 123822.00  1426.67  357.076   2.0294  357.088   2.0582 -0.1235962E-01 2.890432 
1 1 1    9   22    4 o   48.828   0.5797  2314.83   54.921  2292.16   78.636  2336.43   76.740   48.594   0.8336   49.061   0.8058 -0.4672012 1.159401 
1 1 1    9   22    5 o   70.901   0.6517  4873.90   89.644  5055.42  129.527  4707.02  124.193   72.166   0.9246   69.635   0.9188 2.531029 1.303468 
1 1 1    9   22    6 o  158.605   1.0351 24424.07  318.669 24452.75  449.773 24395.16  451.565  158.699   1.4600  158.512   1.4676 0.1872406 2.070105 
1 1 1    9   22    7 o   72.172   0.7794  5090.67  105.146  4929.28  172.527  5186.03  132.621   71.254   1.2473   73.091   0.9347 -1.837006 1.558703 
1 1 1    9   22    8 o   9.7999   1.8821   94.348   38.479  136.528   55.031   53.995   53.825   11.629   2.5113   7.9712   2.8040 3.657310 3.764190 
1 1 1    9   22    9 o  192.218   1.1575 35884.06  431.894 35896.23  610.391 35871.87  611.191  192.251   1.6356  192.186   1.6383 0.6542969E-01 2.314983 
1 1 1    9   22   10 o  137.050   0.9813 18239.18  261.059 18245.74  368.985 18232.60  369.401  137.074   1.3867  137.025   1.3888 0.4948425E-01 1.962570 
1 1 1    9   22   11 o  102.276   0.8244 10157.39  163.674 10147.27  231.520 10167.51  231.420  102.225   1.1667  102.327   1.1650 -0.1019745 1.648806 
1 1 1    9   22   12 f   34.245   0.7392  1142.43   48.978  1075.87   70.828  1203.42   67.801   33.286   1.0962   35.205   0.9921 -1.919346 1.478491 
1 1 1    9   22   13 o   93.944   0.7832  8565.46  142.750  8715.12  206.108  8427.47  197.900   94.732   1.1208   93.157   1.0944 1.575226 1.566490 
1 1 1    9   22   14 o   32.739   0.7506  1035.24   47.416  1090.51   71.764  992.421   63.168   33.509   1.1033   31.968   1.0179 1.541056 1.501114 
1 1 1    9   22   15 o  113.953   0.9163 12617.85  202.640 12500.67  288.568 12731.84  284.625  113.429   1.3106  114.476   1.2808 -1.046616 1.832515 
1 1 1    9   22   16 f   55.648   0.6792  3007.83   73.306  2995.01  105.675  3019.71  101.774   55.533   0.9803   55.763   0.9402 -0.2298889 1.358308 
1 1 1    9   22   17 o   81.600   0.8128  6468.41  128.724  6326.80  181.323  6612.29  182.773   80.699   1.1575   82.501   1.1413 -1.801750 1.625508 
1 1 1    9   22   18 o   74.567   0.7836  5391.81  113.317  5136.79  156.359  5673.94  164.456   72.713   1.1078   76.420   1.1086 -3.707237 1.567204 
1 1 1    9   22   19 o   94.283   0.9045  8640.18  165.522  8491.71  233.112  8791.16  235.068   93.465   1.2848   95.100   1.2733 -1.634995 1.808931 
1 1 1    9   22   20 o  124.536   1.1254 15090.20  271.999 15354.98  390.091 14839.66  379.457  125.597   1.6000  123.476   1.5831 2.121773 2.250846 
1 1 1    9   22   21 o   42.522   0.8641  1760.84   71.095  1723.61  104.221  1793.25   97.230   42.098   1.2754   42.947   1.1663 -0.8492470 1.728227 
1 1 1    9   22   22 o   83.844   0.8606  6841.67  140.032  6709.88  198.797  6971.45  197.282   83.040   1.2333   84.648   1.2006 -1.608711 1.721170 
1 1 1    9   22   23 o   45.954   0.8282  2050.49   73.531  2110.72  110.144  2002.07   98.761   46.556   1.2188   45.353   1.1218 1.202568 1.656446 
1 1 1    9   22   24 o   28.792   1.1176  808.370   62.203  834.440   92.868  787.158   83.771   29.204   1.6382   28.380   1.5206 0.8237591 2.235156 
1 1 1    9   22   25 o   60.245   0.8061  3540.66   94.204  3537.43  135.830  3543.66  130.763   60.213   1.1621   60.278   1.1175 -0.6480026E-01 1.612254 
1 1 1    9   22   26 o   7.1452   2.2276 -14.7746   58.928 -15.3341   94.316 -14.4163   75.473   7.5443   3.3208   6.7461   2.9700 0.7982187 4.455138 
1 1 1    9   22   27 o   9.1841   2.3642   45.200   62.650  146.994   91.418 -44.9466   86.029   11.741   3.6367   6.6273   3.0219 5.113492 4.728412 
1 1 1    9   22   28 o   7.7686   2.2163  -1.4125   61.398 -128.6336   93.731   94.203   81.259   5.7882   2.7912   9.7491   3.4435 -3.960895 4.432690 
1 1 1    9   22   29 o   35.945   1.2446  1302.45   85.812  1357.16  114.542  1232.46  129.553   36.909   1.5987   34.982   1.9078 1.926937 2.489110 
1 1 1    9   23    0 o   33.617   0.7793  1121.46   45.883  1155.79   54.678  1039.75   84.358   34.507   0.8163   32.727   1.3279 1.779747 1.558690 
1 1 1    9   23    1 o  275.407   1.3191 73647.70  705.176 74091.53  996.216 73202.01  998.325  276.239   1.8578  274.575   1.8730 1.664063 2.638137 
1 1 1    9   23    2 o  274.744   1.3179 73293.93  702.853 73197.29  988.487 73392.74  999.575  274.562   1.8547  274.927   1.8730 -0.3652039 2.635875 
1 1 1    9   23    3 o  163.880   1.0520 26073.48  334.648 25748.99  471.945 26401.61  474.592  162.855   1.4929  164.906   1.4826 -2.051208 2.103989 
1 1 1    9   23    4 o  102.209   0.8069 10138.73  160.065 10325.19  228.460  9958.95  224.329  103.132   1.1412  101.286   1.1410 1.845596 1.613708 
1 1 1    9   23    5 o  165.563   1.0771 26614.98  346.170 26753.47  488.582 26475.37  490.542  165.996   1.5163  165.130   1.5303 0.8655548 2.154292 
1 1 1    9   23    6 o   85.027   0.7201  7018.48  118.851  7035.35  167.497  7001.36  168.671   85.130   1.0136   84.924   1.0232 0.2060623 1.440206 
1 1 1    9   23    7 o   76.996   0.6877  5754.68  102.767  5726.69  143.770  5783.93  146.952   76.805   0.9643   77.188   0.9808 -0.3825989 1.375417 
1 1 1    9   23    8 o   73.045   0.6761  5177.92   95.843  5250.23  137.609  5109.80  133.566   73.540   0.9640   72.550   0.9484 0.9899139 1.352291 
1 1 1    9   23    9 o   50.121   0.6261  2438.25   60.895  2344.54   85.524  2534.60   86.726   49.144   0.8965   51.097   0.8744 -1.953388 1.252283 
1 1 1    9   23   10 o  111.729   0.8613 12116.38  186.762 11862.31  260.948 12383.21  267.414  110.529   1.2162  112.929   1.2199 -2.400566 1.722578 
1 1 1    9   23   11 o   55.583   0.6252  2998.57   67.368  3018.09   97.894  2981.01   92.852   55.755   0.9045   55.412   0.8632 0.3428459 1.250309 
1 1 1    9   23   12 o   49.576   0.6331  2390.80   60.738  2321.35   88.692  2452.14   83.350   48.896   0.9344   50.256   0.8544 -1.360130 1.266152 
1 1 1    9   23   13 o   86.164   0.7641  7210.14  127.773  7197.28  182.558  7222.48  178.893   86.088   1.0924   86.240   1.0686 -0.1516418 1.528185 
1 1 1    9   23   14 o  148.143   1.0963 21325.86  314.718 21351.78  459.030 21302.87  432.325  148.223   1.5954  148.064   1.5042 0.1591187 2.192650 
1 1 1    9   23   15 o  132.130   1.0453 16965.49  268.097 17127.04  382.022 16808.71  376.335  132.750   1.4825  131.511   1.4742 1.238449 2.090677 
1 1 1    9   23   16 o   62.034   0.6929  3734.56   83.398  3818.96  120.425  3656.79  115.606   62.707   0.9893   61.362   0.9705 1.345081 1.385900 
1 1 1    9   23   17 o   64.856   0.7296  4086.47   91.836  4027.32  130.367  4144.73  129.390   64.390   1.0430   65.323   1.0204 -0.9329758 1.459127 
1 1 1    9   23   18 o   91.288   0.8754  8097.02  155.097  8215.72  221.801  7983.45  216.959   91.942   1.2428   90.634   1.2332 1.308006 1.750758 
1 1 1    9   23   19 o  111.657   1.0228 12124.65  221.693 12072.16  313.383 12177.24  313.661  111.414   1.4490  111.899   1.4440 -0.4845886 2.045671 
1 1 1    9   23   20 o   53.213   0.7775  2753.76   80.238  2708.95  115.516  2795.53  111.535   52.793   1.1272   53.634   1.0713 -0.8407249 1.555080 
1 1 1    9   23   21 o   44.296   0.8560  1907.77   73.448  1912.68  107.470  1903.46  100.611   44.346   1.2484   44.245   1.1714 0.1015549 1.711968 
1 1 1    9   23   22 o   18.289   1.8009  333.354   62.814  296.394   94.810  362.272   83.861   17.348   2.8153   19.230   2.2465 -1.881804 3.601787 
1 1 1    9   23   23 o   29.924   1.1099  881.228   63.795  816.134   95.221  934.241   85.932   28.898   1.6975   30.949   1.4303 -2.051132 2.219743 
1 1 1    9   23   24 o   28.649   1.1301  808.622   62.305  750.795   92.313  857.004   84.439   27.684   1.7178   29.615   1.4688 -1.930058 2.260118 
1 1 1    9   23   25 o   50.719   0.8245  2517.04   80.905  2427.83  118.099  2595.93  111.058   49.856   1.2203   51.581   1.1092 -1.725449 1.649042 
1 1 1    9   23   26 o   22.891   1.3568  516.438   59.632  540.909   92.198  498.839   78.187   23.323   2.0364   22.458   1.7935 0.8649750 2.713611 
1 1 1    9   23   27 o   16.409   2.0486  280.831   63.310  275.300   94.883  285.269   84.998   16.065   3.1552   16.752   2.6138 -0.6877747 4.097213 
1 1 1    9   23   28 f   26.544   1.3028  702.677   66.535  715.922  101.413  692.666   88.162   26.715   1.9556   26.374   1.7220 0.3412666 2.605690 
1 1 1    9   23   29 o   11.195   3.0934  124.814   97.112  101.614  153.890  140.167  125.187   10.972   4.5062   11.418   4.2392 -0.4466839 6.186862 
1 1 1    9   24    0 o  292.840   1.3499 83269.00  767.338 83148.69  1079.34 83391.95  1091.11  292.626   1.9001  293.053   1.9180 -0.4265137 2.699879 
1 1 1    9   24    1 o  162.785   1.0577 25726.82  334.226 25849.75  473.132 25604.37  472.202  163.173   1.4937  162.397   1.4979 0.7764282 2.115402 
1 1 1    9   24    2 o  233.197   1.2493 52806.89  565.472 53194.98  796.453 52412.40  802.982  234.061   1.7529  232.332   1.7805 1.729568 2.498561 
1 1 1    9   24    3 o   57.658   0.5953  3227.01   66.623  3218.86   94.454  3235.07   93.986   57.585   0.8450   57.730   0.8387 -0.1448593 1.190533 
1 1 1    9   24    4 o   52.794   0.8662  2700.87   88.684  2564.09  122.527  2851.37  128.524   51.392   1.2282   54.195   1.2217 -2.802696 1.732336 
1 1 1    9   24    5 o  126.362   0.9215 15503.01  226.035 15584.17  318.888 15421.06  320.441  126.695   1.2966  126.030   1.3098 0.6651306 1.843053 
1 1 1    9   24    6 o  161.514   1.0704 25326.53  335.523 25097.84  468.648 25567.01  480.580  160.766   1.5017  162.261   1.5258 -1.494415 2.140815 
1 1 1    9   24    7 f   55.967   0.6254  3036.52   67.899  2895.21   94.126  3189.82   98.039   54.611   0.8879   57.323   0.8811 -2.711319 1.250859 
1 1 1    9   24    8 o  132.842   0.9487 17135.05  244.629 17167.78  346.566 17102.56  345.351  132.968   1.3427  132.715   1.3405 0.2527313 1.897316 
1 1 1    9   24    9 o   94.219   0.7805  8618.76  142.757  8633.37  202.318  8604.27  201.462   94.298   1.1053   94.139   1.1024 0.1589661 1.561088 
1 1 1    9   24   10 o  103.211   0.8330 10343.82  166.891 10406.63  236.314 10281.33  235.725  103.523   1.1759  102.898   1.1801 0.6252823 1.666003 
1 1 1    9   24   11 o  138.080   1.0806 18509.88  288.780 18357.93  392.822 18688.57  425.984  137.469   1.4721  138.691   1.5823 -1.222977 2.161141 
1 1 1    9   24   12 o   36.618   0.6785  1288.43   47.928  1425.25   72.900  1184.27   63.608   38.312   0.9802   34.924   0.9383 3.388229 1.356904 
1 1 1    9   24   13 f   45.488   0.6624  2010.45   58.454  1946.57   83.196  2072.74   82.148   44.773   0.9572   46.202   0.9159 -1.429081 1.324855 
1 1 1    9   24   14 o   78.797   0.7477  6029.23  114.356  6162.02  162.791  5899.87  160.677   79.654   1.0528   77.941   1.0620 1.713181 1.495428 
1 1 1    9   24   15 o   28.406   0.9078  782.365   49.974  849.800   72.348  720.830   69.111   29.575   1.2602   27.238   1.3071 2.337553 1.815657 
1 1 1    9   24   16 f   85.501   0.8069  7101.43  133.921  7067.28  188.625  7136.13  190.171   85.294   1.1392   85.708   1.1430 -0.4142227 1.613811 
1 1 1    9   24   17 o   89.990   0.8573  7867.93  149.753  7951.58  213.150  7786.39  210.442   90.462   1.2138   89.517   1.2110 0.9443283 1.714638 
1 1 1    9   24   18 o   84.219   1.0195  6953.00  158.346  7080.03  196.439  6717.33  267.566   85.352   1.1856   83.086   1.6590 2.266922 2.039095 
1 1 1    9   24   19 o   65.495   0.7662  4168.55   97.400  4174.71  139.156  4162.64  136.375   65.542   1.0937   65.449   1.0734 0.9328461E-01 1.532484 
1 1 1    9   24   20 o   40.413   0.8787  1586.16   68.814  1618.36  100.687  1557.94   94.265   40.796   1.2714   40.030   1.2131 0.7654305 1.757311 
1 1 1    9   24   21 o   79.216   0.8366  6101.78  128.545  6122.69  185.763  6082.56  178.062   79.343   1.2061   79.089   1.1598 0.2543182 1.673284 
1 1 1    9   24   22 o   84.054   0.8586  6879.08  140.029  6826.92  200.544  6928.71  195.611   83.739   1.2337   84.369   1.1944 -0.6300659 1.717144 
1 1 1    9   24   23 o   62.175   0.7885  3761.06   95.054  3823.61  138.202  3704.91  130.944   62.661   1.1362   61.688   1.0935 0.9728127 1.576913 
1 1 1    9   24   24 o   44.699   0.8431  1951.73   72.549  1920.83  109.414  1975.98   96.919   44.368   1.2704   45.029   1.1088 -0.6607819 1.686208 
1 1 1    9   24   25 o   63.491   0.8010  3937.43   98.639  3895.96  141.942  3976.15  137.175   63.159   1.1577   63.823   1.1072 -0.6636810 1.601964 
1 1 1    9   24   26 o   24.752   1.3380  633.579   61.333  492.171   95.027  734.549   80.298   22.187   2.2064   27.317   1.5143 -5.130310 2.676088 
1 1 1    9   24   27 o   20.790   1.6169  434.392   64.840  446.177   97.822  425.156   86.597   21.002   2.3995   20.578   2.1679 0.4239464 3.233779 
1 1 1    9   24   28 o   19.279   1.7372  374.842   64.360  421.273  100.023  342.035   84.077   20.246   2.5450   18.312   2.3652 1.933594 3.474381 
1 1 1    9   24   29 o   34.838   1.5932  1260.19  105.989  1148.63  160.090  1347.25  141.422   33.246   2.4806   36.429   1.9999 -3.183334 3.186349 
1 1 1    9   25    0 o  173.094   1.0855 29085.67  364.672 28863.83  510.932 29316.03  520.653  172.422   1.5265  173.766   1.5435 -1.344772 2.170899 
1 1 1    9   25    1 o   91.854   0.8533  8223.19  147.928  8332.91  188.989  8049.64  237.689   92.651   1.0508   91.058   1.3447 1.592743 1.706586 
1 1 1    9   25    2 o   60.273   0.6018  3525.69   70.395  3551.62  100.928  3501.13   98.234   60.488   0.8596   60.057   0.8426 0.4314003 1.203678 
1 1 1    9   25    3 o   37.316   0.6103  1351.76   44.186  1350.01   63.567  1353.40   61.463   37.293   0.8781   37.340   0.8480 -0.4702759E-01 1.220698 
1 1 1    9   25    4 o  125.690   0.9186 15337.19  224.105 15276.86  314.493 15399.44  319.430  125.440   1.2916  125.941   1.3066 -0.5018311 1.837198 
1 1 1    9   25    5 o  138.727   0.9790 18680.01  263.552 18435.59  367.341 18939.28  378.338  137.792   1.3733  139.661   1.3955 -1.868759 1.957956 
1 1 1    9   25    6 o   32.035   0.7103  997.081   44.134  958.775   62.778  1034.51   62.058   31.426   1.0291   32.644   0.9793 -1.218025 1.420611 
1 1 1    9   25    7 o  119.047   0.8910 13759.93  205.890 13721.90  288.969 13799.14  293.427  118.880   1.2522  119.213   1.2680 -0.3335266 1.782075 
1 1 1    9   25    8 o  129.178   0.9553 16202.86  239.520 16179.92  335.576 16226.67  341.978  129.085   1.3392  129.270   1.3628 -0.1853333 1.910691 
1 1 1    9   25    9 o  117.145   0.8880 13316.55  201.854 13024.84  280.569 13629.55  290.625  115.816   1.2480  118.473   1.2637 -2.657310 1.776065 
1 1 1    9   25   10 o   83.370   0.7415  6749.19  119.984  6579.31  169.282  6920.70  170.087   82.315   1.0594   84.425   1.0379 -2.109375 1.483072 
1 1 1    9   25   11 o   91.389   0.7824  8111.74  138.770  8028.80  197.447  8192.70  195.076   90.927   1.1186   91.851   1.0941 -0.9244461 1.564740 
1 1 1    9   25   12 f   55.849   0.6401  3028.31   69.394  3058.57   98.675  2998.71   97.608   56.125   0.9057   55.573   0.9048 0.5519104 1.280224 
1 1 1    9   25   13 o  141.276   1.0848 19394.25  297.488 19521.46  421.667 19268.18  419.763  141.737   1.5326  140.815   1.5356 0.9228058 2.169556 
1 1 1    9   25   14 o   36.327   0.9396  1262.39   61.437  1230.62   73.674  1334.90  111.317   35.595   1.0662   37.059   1.5474 -1.463421 1.879187 
1 1 1    9   25   15 o   31.962   0.8349  995.004   51.666  938.025   74.294  1048.36   71.897   31.073   1.2317   32.852   1.1274 -1.779320 1.669786 
1 1 1    9   25   16 o   52.615   0.7000  2689.05   71.428  2844.48  101.665  2537.52  100.377   54.118   0.9678   51.113   1.0117 3.004906 1.400004 
1 1 1    9   25   17 o   97.536   0.9073  9242.43  171.732  9377.38  246.303  9114.76  239.567   98.227   1.2917   96.844   1.2744 1.383476 1.814539 
1 1 1    9   25   18 o   39.646   0.8079  1524.62   62.103  1582.40   90.616  1473.44   85.280   40.353   1.1568   38.940   1.1282 1.412888 1.615886 
1 1 1    9   25   19 o   42.213   1.1654  1729.85   95.351  1828.27  139.633  1643.87  130.521   43.334   1.6599   41.092   1.6363 2.241566 2.330835 
1 1 1    9   25   20 o   35.472   0.9798  1234.88   66.871  1102.25   97.585  1352.30   91.819   33.654   1.4938   37.290   1.2685 -3.636478 1.959676 
1 1 1    9   25   21 o   28.219   1.1527  773.233   63.013  820.666   92.867  732.762   85.781   29.017   1.6487   27.422   1.6115 1.595514 2.305476 
1 1 1    9   25   22 o   18.971   1.6666  353.528   60.742  352.749   92.699  354.115   80.409   18.936   2.5218   19.005   2.1796 -0.6878853E-01 3.333205 
1 1 1    9   25   23 o   39.212   0.9122  1513.56   68.607  1386.60  102.600  1616.24   92.271   37.694   1.4022   40.730   1.1670 -3.035942 1.824320 
1 1 1    9   25   24 o   8.6876   2.3754   47.821   57.050   76.406   86.593   25.898   75.835   9.5861   3.5322   7.7890   3.1770 1.797128 4.750759 
1 1 1    9   25   25 o   24.499   1.7387  595.855   73.064  609.521  141.776  590.913   85.257   24.520   2.9786   24.477   1.7943 0.4279137E-01 3.477302 
1 1 1    9   25   26 o   27.007   1.2097  710.776   62.737  788.337   97.756  656.459   81.806   28.221   1.7845   25.793   1.6339 2.427853 2.419461 
1 1 1    9   25   27 o   18.091   1.9536  355.027   63.557  257.904   95.309  432.803   85.289   15.423   3.2842   20.759   2.1166 -5.335864 3.907141 
1 1 1    9   25   28 o   21.861   1.5679  486.046   65.880  480.441   99.950  490.352   87.603   21.677   2.3752   22.044   2.0472 -0.3665733 3.135747 
1 1 1    9   25   29 o   25.944   1.9772  710.870   99.280  767.282  147.432  664.065  134.293   26.854   2.8282   25.033   2.7637 1.821863 3.954302 
1 1 1    9   26    0 o  193.678   1.1508 36426.05  432.595 36684.71  607.958 36160.78  615.678  194.376   1.6113  192.981   1.6435 1.394531 2.301588 
1 1 1    9   26    1 o  198.735   1.1716 38349.88  451.984 38263.63  637.388 38437.12  641.031  198.510   1.6541  198.960   1.6598 -0.4492493 2.343248 
1 1 1    9   26    2 o   29.487   0.6695  844.421   38.299  810.925   54.222  877.770   54.103   28.903   0.9664   30.071   0.9269 -1.167828 1.339051 
1 1 1    9   26    3 o   83.015   0.7105  6690.08  114.500  6729.38  162.060  6650.90  161.795   83.259   1.0027   82.772   1.0070 0.4869232 1.421074 
1 1 1    9   26    4 o  184.733   1.1241 33129.70  403.008 32666.59  562.550 33617.96  577.627  183.408   1.5801  186.059   1.5993 -2.650391 2.248204 
1 1 1    9   26    5 o   63.845   0.6364  3956.60   78.868  3914.53  110.756  3999.87  112.335   63.501   0.8985   64.189   0.9015 -0.6883583 1.272824 
1 1 1    9   26    6 o  165.816   1.0922 26704.76  351.522 27105.45  496.035 26300.53  498.226  167.066   1.5295  164.565   1.5596 2.501099 2.184474 
1 1 1    9   26    7 o   78.983   0.7069  6054.84  108.374  6172.24  154.634  5941.50  151.930   79.736   0.9991   78.231   1.0005 1.504631 1.413869 
1 1 1    9   26    8 o  195.952   1.1927 37298.82  453.651 37477.33  638.779 37117.17  644.375  196.426   1.6753  195.478   1.6981 0.9481812 2.385425 
1 1 1    9   26    9 o   45.975   0.6275  2051.25   55.838  2063.01   82.234  2041.18   76.061   46.097   0.9190   45.853   0.8545 0.2436714 1.254903 
1 1 1    9   26   10 f  127.569   0.9462 15805.56  234.312 15645.95  329.670 15968.50  333.092  126.918   1.3381  128.220   1.3383 -1.301567 1.892482 
1 1 1    9   26   11 o   42.063   0.8191  1732.81   63.660  1767.12   79.177  1670.07  107.063   42.661   0.9561   41.465   1.3301 1.195877 1.638102 
1 1 1    9   26   12 o   78.762   0.8516  6024.93  124.900  6024.02  155.981  6026.55  208.509   78.762   1.0202   78.762   1.3638 -0.7171631E-03 1.703146 
1 1 1    9   26   13 o   52.580   0.6583  2684.54   67.187  2706.02   95.263  2663.27   94.773   52.789   0.9296   52.370   0.9323 0.4187164 1.316560 
1 1 1    9   26   14 o   63.383   0.6703  3900.25   82.446  3947.93  118.167  3855.03  115.086   63.760   0.9547   63.006   0.9410 0.7541161 1.340507 
1 1 1    9   26   15 o   64.589   0.6868  4051.40   86.109  4064.94  122.491  4038.18  121.073   64.695   0.9754   64.482   0.9673 0.2129517 1.373650 
1 1 1    9   26   16 f   74.834   0.7700  5438.12  111.832  5331.61  156.279  5549.90  160.101   74.084   1.0867   75.585   1.0912 -1.501122 1.539996 
1 1 1    9   26   17 o   64.941   0.7342  4097.61   92.538  4028.49  130.973  4166.50  130.765   64.394   1.0478   65.489   1.0286 -1.094864 1.468304 
1 1 1    9   26   18 o   78.916   0.7982  6052.60  122.221  6024.67  175.289  6079.03  170.503   78.737   1.1469   79.095   1.1105 -0.3574371 1.596399 
1 1 1    9   26   19 o   87.851   0.8588  7502.73  146.450  7419.68  206.355  7587.02  207.876   87.361   1.2168   88.341   1.2122 -0.9801941 1.717597 
1 1 1    9   26   20 o  142.627   1.2661 19820.03  350.478 20127.74  501.283 19525.77  490.203  143.708   1.7970  141.547   1.7841 2.161102 2.532182 
1 1 1    9   26   21 o   16.270   1.9148  262.496   58.761  308.782   86.520  222.868   80.057   17.740   2.5125   14.801   2.8901 2.938903 3.829525 
1 1 1    9   26   22 o   33.037   1.0298  1080.74   64.969  942.955   96.916  1193.20   87.556   31.079   1.6065   34.996   1.2888 -3.917847 2.059568 
1 1 1    9   26   23 o   40.344   0.8760  1584.21   68.134  1610.61  102.908  1563.61   90.916   40.633   1.3047   40.055   1.1693 0.5771751 1.751971 
1 1 1    9   26   24 f   24.036   1.3161  584.011   59.569  480.493   90.622  662.768   79.045   22.062   2.1160   26.010   1.5655 -3.947924 2.632203 
1 1 1    9   26   25 o   31.124   1.0910  956.962   65.144  918.490   98.856  986.491   86.609   30.535   1.6678   31.713   1.4069 -1.177584 2.181953 
1 1 1    9   26   26 o   13.949   2.2844  208.988   60.216  203.417   92.012  213.162   79.639   13.710   3.4579   14.187   2.9862 -0.4774704 4.568840 
1 1 1    9   26   27 o   25.974   1.3427  678.859   67.101  627.294   99.176  722.390   91.124   24.999   2.0437   26.949   1.7419 -1.950169 2.685344 
1 1 1    9   26   28 o   16.468   2.1760  293.665   66.572  304.137  100.744  285.548   88.696   16.644   3.2346   16.291   2.9116 0.3534088 4.351979 
1 1 1    9   26   29 o   9.3987   2.8355   34.294   95.948 -56.9164  144.602  106.039  128.247   8.2647   3.8228   10.533   4.1888 -2.268070 5.670985 
1 1 1    9   27    0 o   28.030   0.9305  747.127   43.434  732.817   49.695  793.428   89.389   27.476   0.9318   28.585   1.6110 -1.109369 1.861006 
1 1 1    9   27    1 o   61.087   0.7786  3621.94   92.314  3690.43  131.633  3555.66  129.497   61.656   1.0998   60.519   1.1023 1.136337 1.557142 
1 1 1    9   27    2 o  106.765   0.8317 11066.92  172.350 11261.26  244.081 10873.67  243.400  107.700   1.1675  105.830   1.1848 1.870087 1.663364 
1 1 1    9   27    3 o   74.727   0.7913  5385.86  108.973  5310.37  133.975  5533.45  187.327   73.961   0.9332   75.492   1.2783 -1.531151 1.582670 
1 1 1    9   27    4 o  175.012   1.1166 29744.21  379.324 29585.87  533.392 29906.23  539.552  174.541   1.5743  175.483   1.5839 -0.9418182 2.233198 
1 1 1    9   27    5 o   40.829   0.6188  1620.61   48.968  1674.06   68.115  1563.45   70.444   41.527   0.8450   40.131   0.9043 1.395863 1.237624 
1 1 1    9   27    6 o  122.033   0.9131 14459.75  216.293 14478.89  306.200 14440.68  305.570  122.114   1.2917  121.952   1.2908 0.1611862 1.826123 
1 1 1    9   27    7 o  127.370   0.9346 15752.95  231.076 15862.24  327.452 15644.54  326.133  127.810   1.3198  126.930   1.3236 0.8802719 1.869204 
1 1 1    9   27    8 o   80.447   0.7145  6283.49  111.581  6292.10  157.154  6274.73  158.452   80.503   1.0057   80.391   1.0154 0.1114502 1.429097 
1 1 1    9   27    9 o  121.930   0.9558 14445.52  226.122 14011.18  320.690 14874.98  318.887  120.105   1.3755  123.755   1.3274 -3.650032 1.911561 
1 1 1    9   27   10 o  226.031   1.4249 49670.46  625.095 49528.96  875.769 49817.41  892.504  225.706   1.9989  226.356   2.0312 -0.6499939 2.849778 
1 1 1    9   27   11 o   95.541   0.8236  8864.71  152.739  8950.81  216.939  8780.08  215.083   96.001   1.1641   95.081   1.1653 0.9200668 1.647173 
1 1 1    9   27   12 o   35.995   0.9137  1249.68   60.007  1232.90   73.040  1284.51  105.257   35.631   1.0560   36.359   1.4913 -0.7281151 1.827345 
1 1 1    9   27   13 o  139.202   1.0208 18844.97  274.967 18647.01  404.249 19015.41  375.109  138.514   1.5035  139.890   1.3814 -1.376389 2.041699 
1 1 1    9   27   14 o   43.070   0.8368  1805.60   65.424  1791.88  114.894  1812.19   79.588   42.942   1.3783   43.198   0.9491 -0.2561760 1.673510 
1 1 1    9   27   15 o   31.116   0.8639  940.046   52.108  1010.21   74.723  873.625   72.702   32.246   1.1938   29.986   1.2490 2.260473 1.727744 
1 1 1    9   27   16 o   57.677   0.7155  3229.30   80.068  3288.60  115.556  3174.54  111.044   58.185   1.0231   57.168   1.0006 1.016945 1.431077 
1 1 1    9   27   17 o  126.047   1.1249 15456.88  275.230 15422.99  388.914 15490.87  389.555  125.908   1.5912  126.185   1.5904 -0.2769470 2.249724 
1 1 1    9   27   18 o   52.900   0.7259  2715.12   74.308  2768.10  110.025  2670.69  100.761   53.372   1.0620   52.429   0.9901 0.9434776 1.451888 
1 1 1    9   27   19 o   44.392   0.7960  1920.07   68.421  1824.65   98.676  2008.43   94.957   43.324   1.1733   45.460   1.0761 -2.135132 1.592027 
1 1 1    9   27   20 o   68.781   0.7948  4591.65  105.939  4730.96  155.218  4470.17  144.949   69.754   1.1463   67.809   1.1012 1.945152 1.589562 
1 1 1    9   27   21 o   37.087   0.9305  1329.03   66.595  1432.76  101.034  1249.34   88.554   38.353   1.3571   35.822   1.2735 2.531441 1.861029 
1 1 1    9   27   22 o   37.671   0.9243  1365.99   66.846  1494.92  104.149  1275.67   87.169   39.156   1.3702   36.186   1.2410 2.970245 1.848659 
1 1 1    9   27   23 o   39.173   0.9084  1512.17   68.075  1395.62  103.129  1602.18   90.625   37.802   1.4054   40.544   1.1515 -2.742397 1.816876 
1 1 1    9   27   24 o   11.089   2.4602  122.298   59.123  153.532   88.941   97.569   79.139   12.120   3.5514   10.059   3.4054 2.061477 4.920333 
1 1 1    9   27   25 o   8.8155   2.1822   24.353   60.888 -129.5177   90.459  151.817   82.331   5.6948   2.7451   11.936   3.3930 -6.241407 4.364415 
1 1 1    9   27   26 o   15.834   2.0646  263.284   61.152  247.910   93.359  274.836   80.930   15.194   3.2628   16.474   2.5307 -1.280681 4.129234 
1 1 1    9   27   27 o   19.253   1.8654  396.960   65.247  300.939   96.590  477.549   88.489   16.729   3.0881   21.776   2.0934 -5.046736 3.730772 
1 1 1    9   27   28 o   9.9359   2.5331   86.119   65.676  160.427   99.129   27.982   87.681   11.894   3.8012   7.9777   3.3493 3.916312 5.066242 
1 1 1    9   28    0 o   42.246   0.7526  1766.15   56.204  1816.51   67.367  1650.84  101.945   43.259   0.8023   41.234   1.2736 2.024101 1.505230 
1 1 1    9   28    1 o   73.543   0.8113  5288.46  108.453  5359.61  132.413  5143.45  189.035   74.303   0.9180   72.782   1.3380 1.521446 1.622648 
1 1 1    9   28    2 o  178.777   1.1132 31037.72  386.301 30840.11  544.038 31238.67  548.616  178.204   1.5727  179.351   1.5758 -1.147598 2.226326 
1 1 1    9   28    3 o  171.275   1.0932 28485.06  363.427 28199.60  510.136 28779.25  517.877  170.404   1.5422  172.146   1.5498 -1.741959 2.186349 
1 1 1    9   28    4 o   99.163   0.7954  9546.43  153.061  9525.51  213.918  9568.37  219.097   99.052   1.1125   99.274   1.1369 -0.2219162 1.590721 
1 1 1    9   28    5 o  180.828   1.1302 31759.71  396.559 31881.79  553.707 31631.15  568.213  181.187   1.5743  180.470   1.6220 0.7168274 2.260353 
1 1 1    9   28    6 o  135.639   0.9831 17866.09  258.824 17901.50  364.397 17830.03  367.691  135.775   1.3826  135.503   1.3979 0.2720490 1.966106 
1 1 1    9   28    7 o   38.144   0.6502  1412.40   48.119  1416.86   69.286  1408.25   66.880   38.202   0.9343   38.086   0.9046 0.1159630 1.300482 
1 1 1    9   28    8 o   88.972   0.7615  7685.83  131.512  7622.40  184.884  7750.81  187.109   88.600   1.0750   89.343   1.0789 -0.7430115 1.523000 
1 1 1    9   28    9 f  129.214   0.9553 16217.66  239.612 16229.63  337.260 16205.46  340.488  129.262   1.3441  129.165   1.3580 0.9730530E-01 1.910672 
1 1 1    9   28   10 o   32.855   0.8553  1054.18   53.542  1080.19   69.839  1017.10   83.389   33.352   1.0787   32.359   1.3276 0.9930496 1.710570 
1 1 1    9   28   11 f   45.828   0.6448  2037.80   57.336  2086.71   82.583  1992.28   79.667   46.358   0.9177   45.297   0.9060 1.060802 1.289605 
1 1 1    9   28   12 o   49.494   0.6566  2378.62   63.081  2329.22   88.849  2428.83   89.575   48.976   0.9346   50.013   0.9227 -1.036572 1.313277 
1 1 1    9   28   13 f   74.339   0.7146  5361.17  103.028  5505.11  149.451  5230.80  142.225   75.288   1.0226   73.390   0.9983 1.898590 1.429124 
1 1 1    9   28   14 o   44.361   0.6904  1907.86   59.344  1963.51   87.054  1859.56   81.111   44.963   0.9974   43.758   0.9549 1.205288 1.380804 
1 1 1    9   28   15 o   55.852   0.7073  3027.22   76.645  2904.04  106.740  3158.34  110.125   54.680   1.0056   57.024   0.9949 -2.344379 1.414579 
1 1 1    9   28   16 o   45.561   0.7094  2015.46   62.715  1933.31   87.745  2101.25   89.671   44.612   1.0132   46.510   0.9932 -1.898083 1.418839 
1 1 1    9   28   17 o   52.517   0.7548  2672.88   76.851  2841.99  111.948  2522.14  105.688   54.084   1.0663   50.949   1.0686 3.134338 1.509630 
1 1 1    9   28   18 o   61.797   0.7392  3712.33   88.611  3674.62  127.352  3747.72  123.373   61.491   1.0669   62.102   1.0234 -0.6118240 1.478405 
1 1 1    9   28   19 o   75.657   0.7919  5565.53  116.262  5491.70  165.828  5636.90  163.046   75.161   1.1366   76.152   1.1030 -0.9906311 1.583771 
1 1 1    9   28   20 o   54.087   0.7735  2846.59   81.086  2801.60  117.395  2887.65  112.132   53.675   1.1267   54.499   1.0599 -0.8240547 1.546914 
1 1 1    9   28   21 o   12.448   2.3410  152.624   59.803  228.430   89.318   91.025   80.515   14.913   3.1824   9.9837   3.4340 4.928782 4.681906 
1 1 1    9   28   22 o   41.261   0.8834  1656.44   70.469  1689.64  104.926  1629.16   95.112   41.630   1.2984   40.892   1.1982 0.7382393 1.766802 
1 1 1    9   28   23 o   74.095   0.8185  5357.95  117.576  5215.90  169.113  5490.86  163.580   73.133   1.1912   75.056   1.1227 -1.922768 1.636936 
1 1 1    9   28   24 o   44.661   0.8471  1950.34   72.791  1939.29  110.333  1958.86   96.860   44.529   1.2764   44.794   1.1139 -0.2648048 1.694158 
1 1 1    9   28   25 o   7.5629   2.2931   5.3103   60.097   4.6639   88.574   5.8618   81.809   7.6853   3.3012   7.4406   3.1837 0.2447014 4.586200 
1 1 1    9   28   26 o   23.888   1.3930  570.425   63.876  562.266   97.399  576.583   84.612   23.686   2.1183   24.089   1.8095 -0.4025078 2.785935 
1 1 1    9   28   27 o   12.806   2.4554  176.912   62.213  223.472   97.185  144.585   80.981   14.139   3.5469   11.474   3.3963 2.665468 4.910785 
1 1 1    9   28   28 o   9.4542   2.6980   69.999   75.161   70.399   96.311   69.376  120.205   9.2050   3.6397   9.7033   3.9837 -0.4983063 5.396026 
1 1 1    9   29    0 o  127.720   1.1127 15937.53  262.013 16153.22  324.534 15533.74  444.037  128.981   1.2962  126.460   1.8088 2.521141 2.225316 
1 1 1    9   29    1 f   77.297   0.8280  5796.82  116.565  5789.03  142.051  5812.87  203.958   77.222   0.9476   77.372   1.3580 -0.1500931 1.655934 
1 1 1    9   29    2 o  155.008   1.2527 23298.21  359.323 23205.71  444.920 23471.69  609.318  154.584   1.4827  155.433   2.0195 -0.8483734 2.505317 
1 1 1    9   29    3 o   89.072   0.8760  7694.89  145.546  7733.17  242.356  7673.30  182.026   89.240   1.3990   88.903   1.0548 0.3372192 1.752083 
1 1 1    9   29    4 o  149.968   1.0334 21840.25  300.829 21852.64  423.106 21827.58  427.805  150.012   1.4530  149.925   1.4700 0.8689880E-01 2.066868 
1 1 1    9   29    5 o   53.613   0.6147  2789.89   63.941  2803.49   91.985  2777.17   88.944   53.739   0.8818   53.486   0.8567 0.2525902 1.229394 
1 1 1    9   29    6 o   68.450   0.6569  4545.65   87.248  4659.60  125.581  4439.33  121.306   69.279   0.9338   67.622   0.9241 1.657135 1.313777 
1 1 1    9   29    7 o   60.817   0.6361  3587.27   75.055  3700.10  108.443  3483.52  103.985   61.734   0.9049   59.900   0.8943 1.833771 1.272255 
1 1 1    9   29    8 o   97.551   0.8174  9240.00  154.775  9337.02  220.714  9146.12  217.102   98.054   1.1596   97.047   1.1524 1.007202 1.634842 
1 1 1    9   29    9 o   90.045   0.7751  7873.22  135.471  7902.33  193.333  7845.13  189.884   90.208   1.1041   89.882   1.0883 0.3263702 1.550281 
1 1 1    9   29   10 o   78.727   0.7376  6015.38  112.653  6111.79  162.698  5926.58  156.135   79.332   1.0565   78.122   1.0296 1.210251 1.475205 
1 1 1    9   29   11 o   76.883   0.7330  5739.69  109.346  5757.19  157.061  5723.23  152.326   76.996   1.0508   76.770   1.0222 0.2262802 1.465974 
1 1 1    9   29   12 o  113.772   0.9150 12576.33  202.019 12558.00  288.785 12593.90  282.708  113.689   1.3085  113.854   1.2792 -0.1649933 1.829903 
1 1 1    9   29   13 o  164.044   1.1712 26167.01  372.331 26104.90  542.044 26222.51  512.323  163.851   1.7042  164.236   1.6070 -0.3852081 2.342364 
1 1 1    9   29   14 o   44.305   0.7204  1906.69   61.940  1901.99   88.708  1911.17   86.525   44.252   1.0327   44.359   1.0048 -0.1074600 1.440874 
1 1 1    9   29   15 o   17.581   1.5158  305.886   50.890  254.820   74.272  351.076   69.868   16.169   2.3664   18.993   1.8951 -2.824078 3.031652 
1 1 1    9   29   16 o   41.297   0.7620  1649.32   60.858  1743.21   90.911  1573.07   81.923   42.356   1.1057   40.238   1.0488 2.117786 1.523998 
1 1 1    9   29   17 o  135.775   1.2029 17940.44  317.024 18128.67  451.757 17757.79  444.998  136.476   1.7052  135.074   1.6971 1.401443 2.405856 
1 1 1    9   29   18 o   7.2912   2.1885  -1.6061   54.767 -29.7240   79.509   23.780   75.548   6.7677   3.0103   7.8146   3.1774 -1.046943 4.376978 
1 1 1    9   29   19 o   74.715   0.7849  5426.79  113.830  5379.87  160.950  5473.73  161.010   74.391   1.1146   75.038   1.1054 -0.6471329 1.569735 
1 1 1    9   29   20 o   49.956   0.7765  2430.36   75.147  2369.94  109.048  2485.00  103.701   49.360   1.1381   50.551   1.0568 -1.191677 1.553082 
1 1 1    9   29   21 f   48.510   0.8097  2299.09   75.962  2142.05  109.598  2444.28  105.378   46.903   1.2038   50.118   1.0832 -3.215012 1.619345 
1 1 1    9   29   22 o   30.945   1.0608  938.663   63.497  882.570   91.855  989.999   87.874   30.047   1.5749   31.844   1.4216 -1.797314 2.121566 
1 1 1    9   29   23 o   11.956   2.3715  149.511   57.166  136.169   87.467  159.460   75.531   11.547   3.5540   12.365   3.1407 -0.8176594 4.742939 
1 1 1    9   29   24 o   21.996   1.4459  483.266   60.782  456.240   92.969  503.442   80.327   21.409   2.2370   22.582   1.8324 -1.172905 2.891707 
1 1 1    9   29   25 o   23.564   1.4184  562.710   63.597  465.909   93.585  645.770   86.689   21.576   2.2344   25.552   1.7477 -3.975691 2.836756 
1 1 1    9   29   26 o   8.4230   2.3018   4.0150   62.563  130.283   93.707 -97.5323   84.035   11.114   3.7058   5.7320   2.7315 5.381839 4.603686 
1 1 1    9   29   27 o   15.365   2.1539  239.935   62.950  399.920   99.632  133.632   81.214   19.680   2.6080   11.051   3.4285 8.629672 4.307727 
1 1 1    9   29   28 o   17.234   2.8434  356.817   93.009  327.081  141.891  379.220  123.159   16.270   4.3908   18.198   3.6139 -1.928047 5.686791 
1 1 1    9   30    0 o  125.226   1.1114 15185.19  254.836 15097.44  311.824 15361.66  442.199  124.695   1.2882  125.757   1.8114 -1.062096 2.222800 
1 1 1    9   30    1 o  154.152   1.2610 23089.84  357.645 23108.17  440.521 23054.39  612.573  154.260   1.4711  154.044   2.0486 0.2165527 2.522060 
1 1 1    9   30    2 o   86.076   0.9049  7258.82  142.972  7398.91  176.523  6991.68  243.761   87.299   1.0417   84.852   1.4799 2.447495 1.809758 
1 1 1    9   30    3 o   37.497   0.9490  1368.70   68.600  1396.25   92.289  1334.69  102.551   37.921   1.2537   37.074   1.4250 0.8473816 1.898005 
1 1 1    9   30    4 o  116.543   0.8917 13187.07  201.711 13085.29  283.122 13291.98  287.451  116.087   1.2564  117.000   1.2657 -0.9129105 1.783367 
1 1 1    9   30    5 o  107.188   0.8437 11153.48  175.536 11375.79  250.411 10938.69  246.134  108.238   1.1918  106.138   1.1946 2.099907 1.687476 
1 1 1    9   30    6 o   47.326   0.6150  2176.41   56.441  2120.50   81.021  2229.12   78.669   46.735   0.8931   47.917   0.8458 -1.182671 1.230003 
1 1 1    9   30    7 o   80.597   0.7129  6306.94  111.529  6274.28  156.577  6340.58  158.899   80.385   1.0034   80.808   1.0130 -0.4233246 1.425831 
1 1 1    9   30    8 o   90.166   0.7745  7890.99  135.509  7754.61  188.666  8036.31  194.755   89.362   1.0876   90.970   1.1029 -1.607971 1.548950 
1 1 1    9   30    9 o   36.108   0.7007  1265.64   49.106  1249.04   68.609  1283.08   70.315   35.865   0.9855   36.350   0.9965 -0.4853935 1.401480 
1 1 1    9   30   10 o  108.533   0.8632 11441.35  181.844 11442.97  255.509 11439.69  258.855  108.541   1.2127  108.525   1.2287 0.1660156E-01 1.726386 
1 1 1    9   30   11 o   73.794   0.7127  5288.80  102.072  5178.75  144.193  5399.34  144.511   73.024   1.0172   74.564   0.9984 -1.539848 1.425317 
1 1 1    9   30   12 o   31.429   0.8294  950.955   50.262  1031.98   76.609  889.717   66.600   32.593   1.2109   30.265   1.1336 2.328163 1.658703 
1 1 1    9   30   13 o   52.664   0.8190  2738.27   79.489  2549.68  133.134  2842.73   99.090   51.224   1.3389   54.103   0.9435 -2.879532 1.637940 
1 1 1    9   30   14 o   50.027   0.6958  2430.17   67.557  2479.58   96.416  2382.52   94.686   50.527   0.9830   49.528   0.9849 0.9988365 1.391501 
1 1 1    9   30   15 o   42.671   0.7470  1765.41   61.817  1855.56   89.801  1684.22   85.222   43.704   1.0585   41.638   1.0544 2.066555 1.494043 
1 1 1    9   30   16 o   37.871   0.8209  1395.26   60.148  1374.71   88.360  1412.99   82.108   37.609   1.2103   38.133   1.1092 -0.5242577 1.641719 
1 1 1    9   30   17 o   26.088   1.1231  661.110   56.808  618.693   78.575  707.562   82.227   25.212   1.6055   26.963   1.5710 -1.751608 2.246276 
1 1 1    9   30   18 o   69.006   0.7639  4627.86  102.328  4649.73  145.191  4606.27  144.242   69.168   1.0814   68.844   1.0793 0.3238449 1.527853 
1 1 1    9   30   19 o   41.263   0.8166  1663.12   64.983  1579.00   96.085  1734.04   88.218   40.292   1.2285   42.234   1.0760 -1.942070 1.633109 
1 1 1    9   30   20 o   47.882   0.7749  2227.99   71.546  2251.24  107.794  2209.67   95.653   48.099   1.1545   47.665   1.0338 0.4340324 1.549707 
1 1 1    9   30   21 o   17.178   1.7385  292.320   57.288  278.186   86.742  303.255   76.295   16.787   2.6619   17.570   2.2369 -0.7835350 3.477031 
1 1 1    9   30   22 o   20.489   1.4909  410.586   58.889  433.875   89.590  392.870   78.141   20.985   2.1993   19.993   2.0134 0.9921989 2.981732 
1 1 1    9   30   23 o   26.836   1.1960  719.459   61.129  619.781   91.505  799.796   82.149   25.092   1.8787   28.580   1.4807 -3.488075 2.392066 
1 1 1    9   30   24 o   13.666   2.1606  211.591   59.710   88.353   91.672  302.399   78.691   9.9411   3.6386   17.391   2.3310 -7.449552 4.321221 
1 1 1    9   30   25 o   8.7888   2.4369   51.781   61.329   79.254   88.296   26.171   85.248   9.5434   3.5569   8.0341   3.3321 1.509268 4.873792 
1 1 1    9   30   26 o   13.486   2.3804  203.541   62.739  161.966   94.083  236.833   84.190   12.124   3.6773   14.847   3.0238 -2.723521 4.760870 
1 1 1    9   30   27 o   8.2764   2.3712   40.603   61.316 -11.3963   97.420   74.715   78.905   7.5454   3.3454   9.0073   3.3613 -1.461880 4.742376 
1 1 1    9   30   28 o   19.036   2.6224  444.194   93.250  249.982  138.178  606.616  126.364   14.130   4.4849   23.941   2.7190 -9.811669 5.244781 
1 1 1    9   31    0 o   24.523   1.1164  602.436   44.794  619.259   51.458  549.812   91.011   25.256   1.0496   23.790   1.9708 1.466227 2.232863 
1 1 1    9   31    1 o  148.503   1.2337 21357.32  339.723 21208.29  421.361 21634.14  574.270  147.781   1.4688  149.225   1.9825 -1.443695 2.467319 
1 1 1    9   31    2 o   93.131   0.9282  8485.21  159.676  8632.70  198.397  8213.97  269.042   94.295   1.0839   91.967   1.5070 2.328445 1.856328 
1 1 1    9   31    3 o   81.693   0.8858  6500.75  132.693  6543.10  163.112  6417.87  228.171   82.094   1.0236   81.292   1.4459 0.8014297 1.771545 
1 1 1    9   31    4 o   85.906   0.9167  7196.07  143.694  7253.93  175.834  7079.74  249.324   86.436   1.0480   85.376   1.5044 1.059898 1.833421 
1 1 1    9   31    5 o   47.607   0.6161  2201.08   56.803  2189.66   83.107  2211.08   77.817   47.491   0.9015   47.723   0.8400 -0.2326851 1.232190 
1 1 1    9   31    6 o   58.293   0.6225  3299.46   70.418  3286.15  100.831  3312.14   98.385   58.178   0.8928   58.408   0.8677 -0.2302017 1.245052 
1 1 1    9   31    7 o   89.241   0.7733  7733.37  133.960  7697.51  188.550  7769.91  190.358   89.032   1.0910   89.450   1.0963 -0.4174881 1.546636 
1 1 1    9   31    8 o   46.818   0.6229  2123.30   56.480  2198.11   83.254  2059.52   76.876   47.580   0.9014   46.057   0.8599 1.523655 1.245748 
1 1 1    9   31    9 o  123.525   0.9440 14822.69  226.347 14922.78  320.373 14722.94  319.834  123.942   1.3316  123.109   1.3384 0.8332596 1.887946 
1 1 1    9   31   10 o   88.151   0.7681  7545.92  131.433  7673.00  186.859  7421.48  184.906   88.886   1.0830   87.416   1.0897 1.469307 1.536294 
1 1 1    9   31   11 o   82.821   0.7683  6661.47  123.504  6617.81  172.815  6707.05  176.568   82.544   1.0785   83.098   1.0946 -0.5537796 1.536673 
1 1 1    9   31   12 o  142.827   1.0453 19826.54  289.802 19792.98  408.939 19860.40  410.751  142.705   1.4762  142.948   1.4803 -0.2422791 2.090549 
1 1 1    9   31   13 f  101.580   0.8842 10024.18  174.340 10153.66  248.437  9898.56  244.715  102.226   1.2520  100.934   1.2490 1.292099 1.768435 
1 1 1    9   31   14 o   74.847   0.7464  5441.54  108.421  5427.66  151.811  5456.00  154.895   74.750   1.0462   74.943   1.0647 -0.1938248 1.492736 
1 1 1    9   31   15 o   43.981   0.7527  1879.52   64.255  1850.11   90.913  1908.87   90.826   43.637   1.0733   44.326   1.0556 -0.6883163 1.505369 
1 1 1    9   31   16 o   82.471   0.8152  6609.71  130.496  6662.94  184.565  6556.50  184.534   82.803   1.1482   82.138   1.1573 0.6648178 1.630317 
1 1 1    9   31   17 o   92.728   0.8897  8360.27  160.146  8382.29  226.968  8338.44  225.996   92.849   1.2593   92.606   1.2572 0.2429047 1.779402 
1 1 1    9   31   18 o   28.489   1.0829  791.301   59.738  726.570   84.426  856.205   84.538   27.317   1.5921   29.661   1.4682 -2.343988 2.165766 
1 1 1    9   31   19 o   25.398   1.1655  626.705   57.335  688.840   83.526  571.342   78.843   26.587   1.6184   24.209   1.6777 2.377079 2.331098 
1 1 1    9   31   20 o   38.236   0.8706  1430.04   64.300  1335.25   93.643  1514.60   88.446   37.025   1.3029   39.448   1.1550 -2.423248 1.741174 
1 1 1    9   31   21 o   42.145   0.8232  1726.22   66.865  1762.48  101.274  1698.19   89.029   42.528   1.2267   41.762   1.0982 0.7663307 1.646496 
1 1 1    9   31   22 o   27.783   1.1379  780.161   59.361  613.574   89.310  911.999   79.451   25.003   1.8401   30.563   1.3392 -5.559772 2.275841 
1 1 1    9   31   23 o   44.638   0.8419  1946.99   72.704  1939.99  107.208  1952.94   98.928   44.551   1.2397   44.724   1.1395 -0.1726379 1.683799 
1 1 1    9   31   24 o   43.589   0.8535  1858.73   71.714  1874.74  108.190  1846.18   95.778   43.735   1.2744   43.444   1.1357 0.2908287 1.707019 
1 1 1    9   31   25 o   38.885   0.9413  1490.20   70.674  1435.46  104.320  1536.64   96.083   38.195   1.4070   39.575   1.2507 -1.379627 1.882546 
1 1 1    9   31   26 o   9.5468   2.5121   82.463   63.846   43.910   96.944  111.992   84.844   8.7240   3.5791   10.370   3.5260 -1.645544 5.024177 
1 1 1    9   31   27 o   34.800   1.3074  1138.88   78.724  1398.42  156.929  1051.61   91.003   37.037   2.1827   32.562   1.4397 4.475758 2.614785 
1 1 1    9   32    0 o  156.952   1.2893 23982.65  375.906 24109.30  468.669 23754.21  629.417  157.556   1.5324  156.349   2.0739 1.206665 2.578579 
1 1 1    9   32    1 o  122.198   1.1058 14543.44  248.969 14631.81  307.559 14375.44  424.053  122.752   1.2907  121.644   1.7958 1.107491 2.211556 
1 1 1    9   32    2 o   68.544   0.8019  4570.02  100.004  4585.35  121.894  4538.47  174.907   68.725   0.9137   68.363   1.3180 0.3617783 1.603751 
1 1 1    9   32    3 o   61.199   0.7786  3681.03   87.018  3772.09  107.043  3503.60  149.420   62.333   0.8847   60.065   1.2815 2.268005 1.557213 
1 1 1    9   32    4 o   56.130   0.7868  3084.79   79.859  3130.78   97.092  2988.61  140.410   56.787   0.8808   55.473   1.3039 1.314030 1.573545 
1 1 1    9   32    5 o   42.672   0.8114  1764.47   62.628  1757.83   75.801  1778.74  111.171   42.550   0.9177   42.794   1.3383 -0.2440910 1.622719 
1 1 1    9   32    6 o   49.921   0.7805  2432.74   70.842  2456.62   86.432  2383.84  123.658   50.301   0.8852   49.541   1.2858 0.7598839 1.561069 
1 1 1    9   32    7 o   47.656   0.6163  2205.37   57.007  2169.17   80.850  2241.17   80.392   47.266   0.8812   48.045   0.8620 -0.7783890 1.232674 
1 1 1    9   32    8 o   85.002   0.7469  7016.35  123.236  7056.88  174.939  6976.44  173.632   85.245   1.0572   84.758   1.0553 0.4871292 1.493767 
1 1 1    9   32    9 o   60.420   0.6565  3544.79   77.000  3509.91  108.893  3579.67  108.895   60.122   0.9330   60.717   0.9239 -0.5947838 1.313084 
1 1 1    9   32   10 o  121.920   0.9448 14439.33  223.564 14884.98  318.616 14007.13  313.773  123.774   1.3261  120.067   1.3463 3.707191 1.889688 
1 1 1    9   32   11 o   25.852   0.9703  647.521   48.589  709.748   70.682  591.768   66.904   27.027   1.3473   24.677   1.3967 2.349327 1.940559 
1 1 1    9   32   12 o   61.205   0.8406  3699.02   95.989  3873.56  121.748  3412.29  156.046   63.153   0.9931   59.257   1.3566 3.895966 1.681243 
1 1 1    9   32   13 o   36.685   0.8069  1307.98   57.389  1227.90   80.823  1389.40   81.502   35.551   1.1712   37.818   1.1102 -2.267609 1.613740 
1 1 1    9   32   14 o   25.660   1.0957  640.330   54.573  645.114   77.013  635.503   77.345   25.756   1.5403   25.563   1.5587 0.1931572 2.191343 
1 1 1    9   32   15 o   39.566   0.7512  1523.15   57.591  1479.75   83.310  1562.87   79.701   39.024   1.0998   40.108   1.0237 -1.084061 1.502470 
1 1 1    9   32   16 o   49.948   0.7603  2424.54   73.699  2357.39  103.968  2492.37  104.487   49.252   1.0875   50.644   1.0629 -1.391907 1.520594 
1 1 1    9   32   17 o   29.942   1.0051  870.279   58.223  894.208   86.425  850.394   78.784   30.316   1.4686   29.569   1.3726 0.7474880 2.010171 
1 1 1    9   32   18 o   65.410   0.7543  4160.08   95.739  4212.55  134.146  4105.62  136.681   65.832   1.0497   64.988   1.0835 0.8439941 1.508573 
1 1 1    9   32   19 o   30.785   1.0247  915.868   60.841  1076.48   90.198  781.781   82.414   33.245   1.3977   28.324   1.4989 4.921190 2.049428 
1 1 1    9   32   20 o   68.660   0.7754  4589.47  103.226  4556.12  149.291  4620.02  142.886   68.416   1.1241   68.904   1.0683 -0.4876251 1.550745 
1 1 1    9   32   21 o   12.943   2.2117  173.920   54.480  170.281   84.100  176.551   71.515   12.803   3.3465   13.083   2.8928 -0.2794857 4.423445 
1 1 1    9   32   22 o   31.137   1.0161  949.027   60.407  942.080   94.140  953.889   78.760   31.019   1.5635   31.255   1.2982 -0.2362251 2.032149 
1 1 1    9   32   23 o   16.829   2.5298  314.171   69.043  263.460  145.553  328.895   78.428   15.475   4.5457   18.184   2.2219 -2.709121 5.059681 
1 1 1    9   32   24 o   18.792   1.6373  350.807   59.288  381.903   90.707  327.613   78.338   19.490   2.3975   18.094   2.2304 1.396212 3.274542 
1 1 1    9   32   25 o   15.777   2.0805  263.681   61.612  241.511   92.457  281.390   82.634   14.932   3.2794   16.622   2.5610 -1.689254 4.160942 
1 1 1    9   32   26 o   12.775   2.4134  185.629   62.792  130.057   94.587  229.417   83.962   11.015   3.7230   14.534   3.0721 -3.518888 4.826849 
1 1 1    9   32   27 o   8.8388   2.4075   26.421   63.520  150.324  102.604 -50.5747   80.883   11.512   3.8777   6.1656   2.8544 5.346345 4.814973 
1 1 1    9   33    0 o   56.591   0.7913  3146.58   80.463  3209.75   97.433  3011.11  142.684   57.499   0.8729   55.683   1.3200 1.816742 1.582567 
1 1 1    9   33    1 o   28.212   1.0144  758.154   49.907  739.920   58.496  806.928   95.671   27.605   1.0916   28.819   1.7102 -1.214167 2.028876 
1 1 1    9   33    2 o   83.729   0.8937  6803.32  136.706  6793.55  167.081  6823.11  237.779   83.646   1.0290   83.811   1.4615 -0.1650848 1.787427 
1 1 1    9   33    3 o   57.015   0.7578  3189.16   78.778  3254.14   96.642  3060.47  136.000   57.894   0.8599   56.136   1.2480 1.758244 1.515617 
1 1 1    9   33    4 o   31.948   0.9441  1026.95   52.008  1073.10   61.634  912.852   96.920   33.244   0.9551   30.651   1.6289 2.593632 1.888277 
1 1 1    9   33    5 o  130.063   1.1648 16425.49  279.530 16397.82  345.169 16478.22  476.479  129.928   1.3686  130.199   1.8853 -0.2713318 2.329628 
1 1 1    9   33    6 o  102.302   1.0074 10190.30  189.485 10239.68  233.464 10094.96  324.359  102.681   1.1713  101.923   1.6394 0.7585983 2.014851 
1 1 1    9   33    7 o   70.037   0.8391  4768.79  107.047  4777.45  130.568  4751.03  186.956   70.143   0.9589   69.932   1.3772 0.2109070 1.678171 
1 1 1    9   33    8 o   50.772   0.6439  2503.14   63.356  2501.34   92.288  2504.75   87.132   50.754   0.9367   50.790   0.8838 -0.3583527E-01 1.287809 
1 1 1    9   33    9 o   76.821   0.7178  5730.78  107.036  5814.08  152.169  5649.21  150.587   77.374   1.0131   76.269   1.0171 1.105133 1.435614 
1 1 1    9   33   10 o   41.044   0.8539  1633.62   64.209  1645.34  111.171  1627.76   78.655   41.148   1.3918   40.940   0.9897 0.2083626 1.707819 
1 1 1    9   33   11 o   62.298   0.6897  3768.27   83.390  3812.71  119.323  3725.84  116.586   62.656   0.9811   61.939   0.9697 0.7174683 1.379389 
1 1 1    9   33   12 o  200.911   1.3135 39310.81  510.893 39836.84  699.983 38711.16  747.365  202.370   1.7819  199.452   1.9303 2.917786 2.627010 
1 1 1    9   33   13 o   25.122   1.0881  612.441   53.001  653.994   76.762  574.584   73.270   25.935   1.5247   24.309   1.5527 1.626286 2.176197 
1 1 1    9   33   14 o   85.001   0.7994  7020.70  131.901  7024.20  186.145  7017.17  186.931   85.022   1.1279   84.979   1.1332 0.4299164E-01 1.598804 
1 1 1    9   33   15 o   35.988   0.8304  1258.99   57.882  1253.53   84.607  1263.81   79.359   35.913   1.2136   36.063   1.1336 -0.1501579 1.660739 
1 1 1    9   33   16 o   83.128   0.8274  6715.90  133.496  6827.44  190.433  6608.13  187.193   83.806   1.1706   82.449   1.1696 1.356857 1.654758 
1 1 1    9   33   17 o  103.160   0.9551 10351.10  191.243 10422.61  272.308 10281.49  268.647  103.511   1.3552  102.809   1.3461 0.7016220 1.910148 
1 1 1    9   33   18 o   22.388   1.3553  491.971   58.488  430.263   83.399  551.692   82.046   20.990   2.0468   23.786   1.7769 -2.796005 2.710508 
1 1 1    9   33   19 o   61.094   0.7643  3626.20   90.480  3710.06  132.619  3553.17  123.757   61.750   1.1064   60.437   1.0549 1.312935 1.528667 
1 1 1    9   33   20 o   18.732   1.5201  339.587   54.712  378.272   85.036  312.260   71.470   19.621   2.2327   17.843   2.0635 1.778111 3.040183 
1 1 1    9   33   21 o   14.863   1.9867  220.432   55.622  293.365   83.564  162.415   74.531   17.217   2.5003   12.508   3.0880 4.708519 3.973368 
1 1 1    9   33   22 f   27.455   1.1391  737.444   60.404  757.142   90.558  721.656   81.076   27.771   1.6798   27.138   1.5391 0.6339359 2.278265 
1 1 1    9   33   23 o   36.645   0.9376  1313.13   66.218  1339.25  100.213  1292.88   88.222   36.948   1.3972   36.341   1.2506 0.6068001 1.875146 
1 1 1    9   33   24 o   36.675   0.9400  1330.62   66.110  1242.21   99.577  1400.30   88.404   35.540   1.4434   37.809   1.2045 -2.268822 1.879921 
1 1 1    9   33   25 o   16.686   2.0438  306.314   61.674  226.545   94.745  364.967   81.243   14.349   3.4451   19.024   2.2000 -4.674970 4.087626 
1 1 1    9   33   26 o   20.773   1.6010  439.077   64.059  443.377   96.888  435.738   85.384   20.803   2.3993   20.743   2.1205 0.6013298E-01 3.202059 
1 1 1    9   33   27 o   28.701   1.3886  848.070   76.168  954.556  104.131  725.537  111.702   30.802   1.7415   26.600   2.1633 4.201725 2.777169 
1 1 1    9   34    0 o  105.114   1.0383 10764.09  202.093 10837.38  251.097 10629.31  340.515  105.637   1.2245  104.591   1.6772 1.045860 2.076604 
1 1 1    9   34    1 o  139.704   1.2098 18880.17  310.585 18703.30  381.129 19229.82  535.868  138.761   1.4149  140.648   1.9627 -1.887283 2.419579 
1 1 1    9   34    2 o   53.306   0.7779  2728.72   74.534  2679.71   89.424  2840.24  134.896   52.536   0.8769   54.077   1.2851 -1.540779 1.555721 
1 1 1    9   34    3 o   37.186   0.9035  1336.18   64.915  1276.54   86.961  1411.25   97.557   36.254   1.2357   38.117   1.3185 -1.863232 1.806994 
1 1 1    9   34    4 o   32.892   0.8998  1056.82   52.036  1065.16   61.800  1036.51   96.457   33.121   0.9612   32.663   1.5213 0.4583740 1.799528 
1 1 1    9   34    5 o   24.688   1.1536  592.347   49.808  592.396   58.828  592.223   93.603   24.697   1.2271   24.680   1.9538 0.1675797E-01 2.307188 
1 1 1    9   34    6 o   51.577   0.7853  2618.21   72.733  2677.64   88.097  2490.97  128.904   52.514   0.8642   50.639   1.3113 1.875626 1.570501 
1 1 1    9   34    7 o   6.7984   2.1105 -15.8143   47.288 -20.0820   54.966  -3.6587   92.765   5.6591   2.5108   7.9377   3.3931 -2.278613 4.221032 
1 1 1    9   34    8 o   60.156   0.7838  3492.70   86.034  3451.09  104.755  3578.91  150.802   59.616   0.9052   60.696   1.2799 -1.079906 1.567678 
1 1 1    9   34    9 o   36.889   0.9308  1351.47   61.173  1399.44   73.898  1247.02  109.041   37.960   1.0029   35.817   1.5683 2.142624 1.861541 
1 1 1    9   34   10 o  110.155   0.9083 11790.55  194.197 11662.97  275.526 11916.50  273.756  109.561   1.2955  110.748   1.2734 -1.186424 1.816555 
1 1 1    9   34   11 o   53.188   0.7040  2748.02   72.674  2720.56  103.457  2774.78  102.110   52.925   1.0070   53.451   0.9841 -0.5255547 1.408033 
1 1 1    9   34   12 o   67.096   0.8579  4384.14  106.631  4340.80  179.638  4407.72  132.499   66.828   1.3848   67.364   1.0133 -0.5352097 1.715878 
1 1 1    9   34   13 o   89.706   0.8400  7817.33  146.247  7944.15  209.103  7695.90  204.618   90.418   1.1914   88.994   1.1845 1.423317 1.679958 
1 1 1    9   34   14 o   82.883   0.8062  6675.32  129.701  6597.69  182.720  6754.15  184.139   82.397   1.1424   83.369   1.1378 -0.9716797 1.612346 
1 1 1    9   34   15 o   64.079   0.7347  3984.51   91.245  4081.79  133.481  3899.18  125.015   64.811   1.0610   63.347   1.0166 1.463230 1.469436 
1 1 1    9   34   16 o   20.917   1.4124  425.873   57.265  459.561   82.648  394.766   79.419   21.713   1.9609   20.121   2.0334 1.592079 2.824804 
1 1 1    9   34   17 o   44.457   0.7895  1925.00   67.929  1868.92   99.154  1974.60   93.250   43.842   1.1651   45.071   1.0658 -1.228970 1.579027 
1 1 1    9   34   18 o   61.252   0.7568  3648.70   89.980  3636.45  127.917  3660.68  126.595   61.150   1.0776   61.355   1.0629 -0.2050095 1.513630 
1 1 1    9   34   19 o   23.357   1.2858  532.822   58.190  540.624   85.165  525.991   79.693   23.512   1.8660   23.201   1.7695 0.3116169 2.571573 
1 1 1    9   34   20 o   62.689   0.7664  3820.49   93.149  3945.04  135.908  3710.15  127.919   63.648   1.1000   61.730   1.0675 1.917946 1.532840 
1 1 1    9   34   21 o   29.820   1.0410  870.920   59.796  856.888   89.917  882.046   80.067   29.590   1.5654   30.050   1.3726 -0.4598103 2.081944 
1 1 1    9   34   22 o   53.880   0.7835  2828.28   81.573  2889.49  121.864  2778.59  109.800   54.395   1.1541   53.366   1.0599 1.028393 1.566983 
1 1 1    9   34   23 o   10.637   2.4292  109.526   57.383  157.051   89.714   76.620   74.651   12.114   3.5717   9.1603   3.2935 2.953748 4.858456 
1 1 1    9   34   24 f   12.332   2.3217  154.189   57.011  227.189   90.720  106.542   73.292   14.511   3.2958   10.153   3.2710 4.357937 4.643471 
1 1 1    9   34   25 o   12.004   2.4864  151.959   62.248  210.604   96.202  109.722   81.642   13.744   3.5728   10.264   3.4590 3.479959 4.972822 
1 1 1    9   34   26 o   14.592   2.3163  230.756   64.231  308.119   98.074  172.648   84.997   16.794   3.1234   12.390   3.4213 4.403443 4.632530 
1 1 1    9   35    0 o   43.048   0.7624  1781.17   57.182  1758.45   67.161  1841.05  109.023   42.559   0.8130   43.537   1.2900 -0.9787979 1.524801 
1 1 1    9   35    1 o   86.289   0.9260  7250.81  146.545  7289.77  180.126  7174.55  252.027   86.643   1.0710   85.935   1.5108 0.7082367 1.851906 
1 1 1    9   35    2 o   65.799   0.8191  4162.08   96.716  4095.02  115.927  4315.65  175.421   64.943   0.9196   66.655   1.3558 -1.712166 1.638209 
1 1 1    9   35    3 o   64.393   0.8052  3997.00   93.895  3945.23  113.501  4109.26  167.128   63.744   0.9173   65.042   1.3237 -1.298359 1.610461 
1 1 1    9   35    4 f   40.051   0.7793  1537.80   56.687  1502.57   68.551  1613.97  100.812   39.338   0.8977   40.763   1.2740 -1.424252 1.558540 
1 1 1    9   35    5 o   36.331   0.9034  1298.57   57.803  1322.06   68.910  1242.79  106.174   36.899   0.9621   35.763   1.5294 1.135677 1.806833 
1 1 1    9   35    6 o   29.521   0.9948  868.222   53.468  913.639   66.106  782.301   90.925   30.672   1.1103   28.371   1.6510 2.300591 1.989596 
1 1 1    9   35    7 o   80.494   0.9116  6259.15  133.057  6196.21  161.147  6393.98  235.862   79.875   1.0393   81.114   1.4980 -1.238144 1.823196 
1 1 1    9   35    8 o   81.892   0.9214  6601.14  139.252  6804.01  173.484  6233.69  233.484   83.698   1.0678   80.086   1.5019 3.611710 1.842764 
1 1 1    9   35    9 o  168.223   1.3757 27370.16  424.133 27048.38  518.748 28019.03  736.632  166.804   1.6021  169.641   2.2369 -2.837875 2.751464 
1 1 1    9   35   10 o   96.460   1.0104  8983.16  178.192  8867.43  217.351  9220.40  311.200   95.540   1.1720   97.380   1.6463 -1.839981 2.020829 
1 1 1    9   35   11 o   27.512   1.0175  734.349   54.279  784.702   78.542  688.313   75.099   28.413   1.4240   26.610   1.4539 1.803028 2.035076 
1 1 1    9   35   12 o   77.217   0.7721  5792.50  115.725  5819.13  163.671  5765.89  163.649   77.395   1.0894   77.039   1.0943 0.3551941 1.544128 
1 1 1    9   35   13 o   10.470   2.2960  102.809   53.358  147.020   76.886   61.732   74.110   12.044   3.2246   8.8963   3.2692 3.147336 4.591904 
1 1 1    9   35   14 o   52.249   0.7233  2648.03   73.296  2759.27  106.364  2547.43  101.146   53.292   1.0282   51.206   1.0176 2.086002 1.446575 
1 1 1    9   35   15 o   24.120   1.1858  568.869   55.203  539.776   81.275  593.784   75.215   23.541   1.7786   24.700   1.5687 -1.159363 2.371540 
1 1 1    9   35   16 o   17.163   1.7878  297.087   56.892  236.610   81.915  353.445   79.076   15.296   2.8641   19.030   2.1406 -3.734209 3.575612 
1 1 1    9   35   17 o  100.975   0.9406  9919.96  184.342  9997.38  263.029  9845.23  258.430  101.361   1.3368  100.589   1.3235 0.7717438 1.881155 
1 1 1    9   35   18 f   49.553   0.7823  2389.33   75.170  2380.16  108.769  2397.73  104.004   49.459   1.1329   49.647   1.0792 -0.1879768 1.564645 
1 1 1    9   35   19 f   41.844   0.8292  1703.98   67.273  1724.34   97.768  1685.67   92.710   42.078   1.1969   41.609   1.1478 0.4688110 1.658361 
1 1 1    9   35   20 o   33.886   0.9335  1119.44   61.281  1134.69   89.786  1106.14   83.847   34.097   1.3565   33.675   1.2827 0.4217415 1.866933 
1 1 1    9   35   21 o   47.569   0.7827  2211.93   72.077  2103.36  104.174  2311.63   99.830   46.436   1.1557   48.701   1.0560 -2.264652 1.565463 
1 1 1    9   35   22 o   9.8334   2.2785   89.423   56.051   11.805   84.354  150.786   75.003   7.7206   3.2655   11.946   3.1786 -4.225610 4.557055 
1 1 1    9   35   23 o   12.725   2.0528  184.616   56.522   41.992   87.325  287.449   74.150   8.5072   3.4313   16.943   2.2545 -8.435831 4.105654 
1 1 1    9   35   24 o   29.390   1.1202  869.793   62.125  777.380   96.949  934.178   80.922   27.968   1.7857   30.813   1.3529 -2.845041 2.240377 
1 1 1    9   35   25 o   25.243   1.3449  644.076   64.774  605.914   99.445  672.198   85.366   24.505   2.0906   25.982   1.6926 -1.476585 2.689857 
1 1 1    9   35   26 f   25.566   1.3691  654.725   67.499  713.847  102.881  610.044   89.439   26.537   1.9972   24.595   1.8733 1.942345 2.738254 
1 1 1    9   36    0 o   81.288   0.8975  6348.71  131.822  6232.22  158.835  6606.52  236.296   80.113   1.0214   82.462   1.4762 -2.349625 1.795063 
1 1 1    9   36    1 o  104.714   1.0355 10727.06  200.141 10897.89  248.371 10410.73  337.978  105.927   1.2079  103.500   1.6822 2.427292 2.070959 
1 1 1    9   36    2 o  118.735   1.1089 13653.59  241.314 13561.38  295.491 13838.25  418.129  118.158   1.2883  119.312   1.8053 -1.154640 2.217873 
1 1 1    9   36    3 f   38.464   0.8622  1445.01   57.259  1454.67   67.198  1419.41  109.396   38.706   0.8944   38.221   1.4744 0.4848061 1.724495 
1 1 1    9   36    4 o   82.990   0.9128  6628.24  136.762  6524.51  164.775  6857.93  245.195   81.968   1.0356   84.012   1.5035 -2.043846 1.825646 
1 1 1    9   36    5 o  116.808   1.1384 13239.72  244.287 13197.11  300.130 13323.36  420.493  116.554   1.3265  117.061   1.8505 -0.5067062 2.276821 
1 1 1    9   36    6 o   31.134   0.9712  940.094   52.659  937.912   61.990  945.751   99.802   31.076   1.0276   31.191   1.6483 -0.1147614 1.942397 
1 1 1    9   36    7 o   76.713   0.8879  5789.45  123.832  5929.94  151.668  5508.54  214.465   78.140   0.9999   75.286   1.4675 2.854027 1.775756 
1 1 1    9   36    8 o  103.909   1.0422 10393.09  196.907 10211.64  238.669 10779.83  348.445  102.526   1.1992  105.292   1.7048 -2.765770 2.084330 
1 1 1    9   36    9 o   46.408   0.8690  2053.00   72.045  1994.54   85.805  2192.70  132.641   45.318   0.9754   47.498   1.4386 -2.180603 1.738073 
1 1 1    9   36   10 o   74.460   0.9039  5381.00  122.507  5368.98  149.169  5405.90  214.715   74.347   1.0336   74.573   1.4833 -0.2255478 1.807860 
1 1 1    9   36   11 o  107.008   1.1154 11169.64  220.676 11250.00  273.763 11020.56  372.887  107.591   1.3108  106.426   1.8049 1.165001 2.230701 
1 1 1    9   36   12 o   49.345   0.9125  2337.78   80.217  2295.16   95.564  2439.44  147.594   48.607   1.0128   50.083   1.5181 -1.476730 1.824977 
1 1 1    9   36   13 o   97.249   1.0863  9170.74  194.108  9111.46  238.355  9287.45  334.466   96.818   1.2683   97.681   1.7639 -0.8629837 2.172527 
1 1 1    9   36   14 f   64.732   0.7335  4067.22   91.909  4131.42  135.573  4012.62  125.024   65.201   1.0711   64.262   1.0022 0.9392090 1.466917 
1 1 1    9   36   15 o   23.741   1.2160  547.873   55.956  566.670   81.837  531.370   76.683   24.121   1.7478   23.360   1.6910 0.7608147 2.431930 
1 1 1    9   36   16 o   67.275   0.7642  4398.61   99.780  4497.89  142.191  4302.30  140.054   68.024   1.0768   66.527   1.0845 1.496178 1.528301 
1 1 1    9   36   17 o   31.249   0.9933  954.271   59.995  905.867   87.626  996.984   82.313   30.495   1.4803   32.003   1.3250 -1.508455 1.986653 
1 1 1    9   36   18 o   45.702   0.7827  2032.46   69.414  2034.21   99.587  2030.81   96.806   45.719   1.1221   45.684   1.0916 0.3489304E-01 1.565497 
1 1 1    9   36   19 o   36.443   0.8688  1294.19   61.356  1294.30   84.326  1294.07   89.441   36.449   1.1918   36.437   1.2645 0.1192474E-01 1.737680 
1 1 1    9   36   20 o   23.937   1.2331  558.878   57.004  644.204   83.582  484.676   77.944   25.645   1.6790   22.228   1.8064 3.416786 2.466161 
1 1 1    9   36   21 o   56.129   0.7616  3074.77   82.567  3055.74  122.867  3090.44  111.495   55.956   1.1312   56.302   1.0202 -0.3455696 1.523239 
1 1 1    9   36   22 o   20.661   1.4260  418.015   56.645  466.130   87.822  383.737   74.124   21.648   2.0899   19.675   1.9408 1.973448 2.852088 
1 1 1    9   36   23 o   15.432   2.0429  261.817   57.403  186.432   89.365  314.768   74.898   13.124   3.4589   17.741   2.1749 -4.616320 4.085877 
1 1 1    9   36   24 o   24.164   1.3098  567.113   60.068  655.356   98.086  514.159   75.983   25.584   1.9751   22.745   1.7210 2.838932 2.619649 
1 1 1    9   36   25 o   24.833   1.3575  619.242   64.670  623.383   99.394  616.201   85.161   24.840   2.0613   24.826   1.7671 0.1389885E-01 2.715066 
1 1 1    9   36   26 o   22.682   1.5281  523.961   66.347  547.404  103.568  507.644   86.405   23.019   2.3178   22.344   1.9921 0.6744041 3.056232 
1 1 1    9   37    0 o  135.014   1.2172 17584.85  300.330 17328.90  366.046 18112.04  525.337  133.554   1.4119  136.473   1.9830 -2.919769 2.434313 
1 1 1    9   37    1 f   69.743   0.8463  4789.52  107.144  4914.69  131.104  4537.78  185.919   71.143   0.9493   68.343   1.4014 2.800247 1.692678 
1 1 1    9   37    2 o   75.292   0.8594  5533.12  118.609  5589.14  145.883  5423.86  203.725   75.867   0.9906   74.718   1.4046 1.148239 1.718763 
1 1 1    9   37    3 o   20.670   1.4220  411.414   49.992  407.092   57.933  424.017   98.926   20.469   1.4580   20.870   2.4418 -0.4011993 2.844009 
1 1 1    9   37    4 o  118.868   1.1334 13703.12  245.034 13648.12  298.022 13817.88  430.488  118.529   1.2953  119.206   1.8604 -0.6778564 2.266860 
1 1 1    9   37    5 o   96.904   1.1453  9121.33  214.600  9050.50  290.457  9206.47  318.452   96.496   1.5506   97.312   1.6858 -0.8153687 2.290514 
1 1 1    9   37    6 o   96.505   0.9940  9080.33  176.686  9146.77  218.270  8954.04  300.925   97.037   1.1588   95.973   1.6153 1.064766 1.987915 
1 1 1    9   37    7 o  107.245   1.0630 11140.46  208.209 11066.23  254.090 11292.17  363.252  106.728   1.2264  107.762   1.7365 -1.033394 2.125943 
1 1 1    9   37    8 o  122.819   1.1760 14675.94  266.307 14695.17  328.853 14639.30  453.908  122.971   1.3776  122.668   1.9062 0.3031082 2.351924 
1 1 1    9   37    9 o   50.624   0.8564  2522.23   79.203  2588.93   97.510  2392.88  135.785   51.630   0.9729   49.618   1.4098 2.011292 1.712896 
1 1 1    9   37   10 o   26.128   1.3031  618.181   61.038  553.054   71.927  785.775  115.382   23.849   1.5536   28.407   2.0924 -4.557541 2.606163 
1 1 1    9   37   11 o   57.144   0.8865  3144.95   90.390  3101.98  107.927  3245.90  165.423   56.510   0.9839   57.778   1.4749 -1.267303 1.772962 
1 1 1    9   37   12 o   13.508   2.4981  176.836   62.124  162.930   74.171  209.521  113.712   12.651   3.0548   14.365   3.9534 -1.713999 4.996120 
1 1 1    9   37   13 o   41.479   0.9869  1656.14   74.962  1622.97   91.437  1724.12  130.913   40.865   1.1527   42.093   1.6022 -1.228218 1.973721 
1 1 1    9   37   14 o   17.859   1.8386  304.864   62.279  281.196   78.811  344.221  101.630   16.967   2.3929   18.751   2.7921 -1.783836 3.677206 
1 1 1    9   37   15 o   24.199   1.5564  567.104   70.060  555.878   86.989  587.830  118.195   23.880   1.8766   24.517   2.4835 -0.6371613 3.112740 
1 1 1    9   37   16 o   45.054   0.9692  1987.20   80.213  2012.46   98.951  1938.78  136.984   45.494   1.1205   44.613   1.5818 0.8806725 1.938418 
1 1 1    9   37   17 o   11.415   2.2215  133.033   50.722  129.201   74.584  136.330   69.185   11.288   3.2364   11.542   3.0442 -0.2540293 4.443087 
1 1 1    9   37   18 o   12.810   2.2227  168.457   54.883  187.926   80.051  151.189   75.391   13.501   3.1174   12.118   3.1690 1.383187 4.445320 
1 1 1    9   37   19 o   28.169   1.0899  780.834   58.985  653.412   83.460  907.993   83.374   25.841   1.6638   30.497   1.4084 -4.656019 2.179865 
1 1 1    9   37   20 o   22.808   1.3022  508.846   57.517  543.854   84.983  479.257   78.131   23.526   1.8609   22.090   1.8220 1.435743 2.604360 
1 1 1    9   37   21 o   9.9448   2.3748   91.016   54.390  128.082   84.809   65.120   70.888   11.156   3.5106   8.7337   3.1992 2.422134 4.749627 
1 1 1    9   37   22 o   23.575   1.2495  540.536   56.686  630.406   87.233  474.848   74.579   25.239   1.7805   21.911   1.7534 3.327805 2.498951 
1 1 1    9   37   23 o   47.504   0.8105  2196.65   74.070  2310.88  113.739  2112.53   97.605   48.545   1.2070   46.462   1.0822 2.083748 1.621093 
1 1 1    9   37   24 o   38.104   0.9381  1444.37   67.865  1358.90  105.916  1503.89   88.393   37.072   1.4718   39.135   1.1636 -2.062752 1.876193 
1 1 1    9   37   25 o   37.241   0.9961  1363.74   71.159  1437.21  110.526  1311.72   92.997   38.043   1.4967   36.438   1.3148 1.604645 1.992129 
1 1 1    9   38    0 o   88.196   0.9387  7575.27  150.099  7609.64  182.425  7503.21  264.105   88.520   1.0616   87.871   1.5483 0.6491394 1.877350 
1 1 1    9   38    1 o   93.190   0.9775  8396.33  165.874  8320.21  201.724  8555.28  291.475   92.557   1.1228   93.824   1.6004 -1.267105 1.954937 
1 1 1    9   38    2 o   7.6142   2.2312   6.2705   47.857  -7.5451   55.304   47.460   95.490   5.9915   2.5911   9.2368   3.6331 -3.245230 4.462435 
1 1 1    9   38    3 o   89.403   0.9640  7675.67  156.722  7513.53  189.813  8022.96  277.797   87.953   1.1118   90.853   1.5752 -2.899971 1.927992 
1 1 1    9   38    4 o  102.523   1.0515 10271.12  198.421 10393.63  245.218 10038.79  337.690  103.436   1.2213  101.610   1.7120 1.825218 2.103004 
1 1 1    9   38    5 o   95.755   0.9934  8933.31  175.255  8984.34  216.455  8836.19  298.609   96.172   1.1595   95.339   1.6135 0.8329391 1.986889 
1 1 1    9   38    6 o   73.288   0.8919  5277.73  118.921  5393.83  145.656  5045.59  205.957   74.524   1.0069   72.052   1.4725 2.471916 1.783857 
1 1 1    9   38    7 o   72.784   0.9021  5175.40  119.283  5228.34  145.452  5066.66  208.450   73.370   1.0213   72.199   1.4873 1.170845 1.804197 
1 1 1    9   38    8 o   36.570   0.9344  1254.94   61.439  1186.96   73.170  1417.44  113.131   34.956   1.0783   38.184   1.5263 -3.227943 1.868744 
1 1 1    9   38    9 o   39.015   0.9535  1477.86   67.174  1475.28   81.225  1483.47  119.490   38.970   1.0737   39.059   1.5760 -0.8880997E-01 1.906964 
1 1 1    9   38   10 o   39.552   0.9729  1538.71   67.527  1563.74   80.270  1478.11  124.897   40.122   1.0306   38.982   1.6505 1.140026 1.945899 
1 1 1    9   38   11 o   26.475   1.3676  661.380   65.200  628.239   77.814  739.475  119.450   25.412   1.5774   27.539   2.2345 -2.126236 2.735181 
1 1 1    9   38   12 o   68.051   0.9250  4512.27  114.452  4531.76  139.464  4472.08  200.293   68.295   1.0520   67.806   1.5217 0.4896011 1.849940 
1 1 1    9   38   13 o   36.133   1.0761  1265.23   71.333  1254.48   87.405  1286.69  123.440   35.919   1.2536   36.347   1.7495 -0.4276772 2.152271 
1 1 1    9   38   14 o   10.454   2.4314   96.877   63.881  161.136   82.266  -0.7122  101.381   12.580   3.3202   8.3269   3.5530 4.253505 4.862880 
1 1 1    9   38   15 o   56.726   0.9295  3151.75   96.188  3194.28  117.858  3066.92  166.456   57.325   1.0591   56.126   1.5278 1.199409 1.859027 
1 1 1    9   38   16 o   49.936   0.9198  2437.38   84.718  2460.31  104.881  2394.33  143.708   50.298   1.0742   49.575   1.4933 0.7239304 1.839540 
1 1 1    9   38   17 o   10.503   2.5860  100.668   63.904  114.304   79.600   75.945  107.181   10.776   3.4023   10.230   3.8955 0.5458612 5.172071 
1 1 1    9   38   18 o   24.397   1.4111  581.625   64.768  575.175   81.861  592.420  105.907   24.247   1.7392   24.547   2.2226 -0.2996826 2.822183 
1 1 1    9   38   19 o   21.662   1.5803  420.945   62.315  351.159   74.064  590.069  115.299   18.898   2.0190   24.426   2.4317 -5.528116 3.160603 
1 1 1    9   38   20 o   46.408   0.9527  2051.42   81.923  1933.01  100.462  2286.46  141.539   44.504   1.1629   48.311   1.5093 -3.807034 1.905302 
1 1 1    9   38   21 o   37.883   1.0260  1403.04   74.092  1378.74   95.747  1439.30  116.975   37.514   1.3148   38.252   1.5753 -0.7378349 2.051923 
1 1 1    9   38   22 o   23.738   1.2714  574.620   56.604  474.011   87.085  648.219   74.484   21.812   2.0567   25.664   1.4951 -3.851892 2.542748 
1 1 1    9   38   23 o   36.775   0.9179  1345.01   64.218  1243.50   99.082  1418.53   84.327   35.511   1.4374   38.039   1.1420 -2.527351 1.835819 
1 1 1    9   38   24 o   23.168   1.3807  538.706   59.621  541.035   99.138  537.387   74.624   23.097   2.2112   23.240   1.6542 -0.1430340 2.761440 
1 1 1    9   38   25 o   6.8153   2.2451 -66.5928   72.259 -65.7483   98.309 -67.5851  106.568   6.6705   3.1081   6.9602   3.2407 -0.2897019 4.490280 
1 1 1    9   39    0 o  100.514   1.0353  9798.79  189.130  9763.07  229.904  9873.55  332.650  100.253   1.1814  100.775   1.7005 -0.5215836 2.070562 
1 1 1    9   39    1 o   89.402   0.9641  7735.13  156.405  7679.25  189.676  7853.85  276.465   88.917   1.0989   89.887   1.5844 -0.9701920 1.928229 
1 1 1    9   39    2 o  117.775   1.1322 13491.47  244.025 13506.75  298.953 13460.96  422.426  117.905   1.3062  117.644   1.8498 0.2611771 2.264450 
1 1 1    9   39    3 o   64.127   0.8639  4031.22   99.332  4091.37  119.906  3899.65  177.339   64.908   0.9517   63.346   1.4422 1.561699 1.727870 
1 1 1    9   39    4 o   99.527   1.0273  9641.24  186.191  9668.74  227.118  9584.88  325.139   99.766   1.1727   99.287   1.6870 0.4786835 2.054566 
1 1 1    9   39    5 o   57.116   0.8503  3231.72   86.363  3331.26  104.041  3011.15  154.871   58.569   0.9151   55.663   1.4333 2.906570 1.700524 
1 1 1    9   39    6 o   92.913   0.9991  8224.89  167.673  7954.35  201.330  8837.33  302.917   90.489   1.1462   95.337   1.6368 -4.847382 1.998210 
1 1 1    9   39    7 o  115.001   1.1296 12760.45  236.129 12582.24  286.359 13139.07  417.390  113.791   1.2964  116.211   1.8502 -2.420242 2.259216 
1 1 1    9   39    8 o   74.741   0.9128  5460.88  124.406  5524.19  152.280  5333.85  215.718   75.412   1.0402   74.070   1.5003 1.342567 1.825655 
1 1 1    9   39    9 o   55.340   4.7894  3056.18  488.368  3002.55  600.872  3160.55  838.268   54.930   5.6351   55.750   7.7459 -0.8193855 9.578844 
1 1 1    9   39   10 o   38.261   1.0385  1482.25   70.316  1579.60   85.288  1275.63  124.252   40.320   1.0897   36.202   1.7681 4.118507 2.076936 
1 1 1    9   39   11 o   41.891   0.9845  1736.27   71.181  1773.41   83.852  1640.45  134.667   42.725   1.0110   41.058   1.6897 1.667435 1.969047 
1 1 1    9   39   12 o   47.739   0.9631  2241.17   82.684  2283.62  100.170  2150.38  146.474   48.476   1.0645   47.003   1.6053 1.472744 1.926218 
1 1 1    9   39   13 o   48.227   0.9372  2258.75   83.653  2251.60  103.623  2272.12  141.746   48.131   1.1091   48.322   1.5111 -0.1904411 1.874448 
1 1 1    9   39   14 o   42.432   0.9143  1758.99   72.992  1783.67   92.815  1718.97  118.169   42.835   1.1162   42.028   1.4484 0.8066711 1.828632 
1 1 1    9   39   15 o   36.988   1.1126  1340.63   75.740  1357.88   93.634  1307.98  128.819   37.357   1.2912   36.620   1.8122 0.7372818 2.225139 
1 1 1    9   39   16 f   15.371   2.1967  218.372   63.168  150.689   78.575  342.037  106.211   12.127   3.2652   18.614   2.9394 -6.486991 4.393380 
1 1 1    9   39   17 o   34.965   1.0937  1192.27   69.492  1190.42   84.528  1196.12  122.065   34.957   1.2456   34.972   1.7981 -0.1473618E-01 2.187382 
1 1 1    9   39   18 o   34.842   1.0129  1195.54   67.529  1254.46   89.648  1118.26  102.674   35.863   1.2877   33.821   1.5639 2.041992 2.025819 
1 1 1    9   39   19 o   43.734   0.9889  1876.19   78.392  1889.01   95.339  1849.41  137.739   44.020   1.1157   43.448   1.6331 0.5720367 1.977870 
1 1 1    9   39   20 o   12.638   2.5000  176.232   64.162  205.003   79.189  121.252  109.469   13.990   3.0056   11.287   3.9957 2.703241 4.999906 
1 1 1    9   39   21 f   26.367   1.3337  667.253   66.971  580.157   85.194  808.127  108.349   24.209   1.8129   28.526   1.9567 -4.317253 2.667424 
1 1 1    9   39   22 o   34.178   1.0822  1153.56   70.815  1163.21   93.045  1140.28  109.172   34.394   1.3936   33.963   1.6559 0.4311829 2.164326 
1 1 1    9   39   23 o   23.348   1.5054  556.992   67.063  611.382   90.168  489.657  100.326   24.737   1.8778   21.960   2.3535 2.777376 3.010830 
1 1 1    9   39   24 o   7.1285   2.2571 -48.1688   67.832 -124.5275   94.551   32.807   97.368   5.8336   2.8107   8.4234   3.5325 -2.589805 4.514283 
1 1 1    9   39   25 o   15.763   2.5027  289.118   74.735  322.024  101.292  249.803  110.717   17.012   3.1843   14.515   3.8619 2.497412 5.005422 
1 1 1    9   40    0 o   44.386   0.8974  1947.20   66.789  1981.10   77.375  1848.09  132.284   45.168   0.8825   43.603   1.5629 1.564735 1.794804 
1 1 1    9   40    1 o   59.455   0.8295  3451.13   88.027  3478.23  105.687  3389.74  159.062   59.848   0.9097   59.062   1.3874 0.7861214 1.659025 
1 1 1    9   40    2 o   57.768   0.8283  3232.15   85.183  3217.73  101.754  3265.95  155.734   57.563   0.9106   57.973   1.3839 -0.4101830 1.656591 
1 1 1    9   40    3 o   57.522   0.8334  3165.65   85.487  3093.98  101.810  3336.96  157.406   56.445   0.9292   58.600   1.3838 -2.155087 1.666789 
1 1 1    9   40    4 o   18.082   1.6381  282.219   51.740  242.035   59.583  405.426  104.331   15.772   1.9461   20.392   2.6356 -4.620054 3.276264 
1 1 1    9   40    5 o   80.743   1.0529  6332.28  164.632  6270.19  224.646  6404.30  241.969   80.319   1.4408   81.166   1.5357 -0.8466949 2.105832 
1 1 1    9   40    6 o  138.317   1.2539 18555.12  318.670 18440.61  391.331 18780.51  549.042  137.734   1.4636  138.900   2.0363 -1.165512 2.507734 
1 1 1    9   40    7 o  128.045   1.2324 16010.74  295.599 16188.00  373.174 15712.21  484.298  129.039   1.4898  127.051   1.9637 1.987724 2.464852 
1 1 1    9   40    8 o   81.758   0.9597  6541.34  143.979  6635.25  177.484  6360.60  246.228   82.642   1.1064   80.874   1.5684 1.768150 1.919377 
1 1 1    9   40    9 o   38.872   0.9846  1426.46   68.605  1362.64   81.650  1579.73  126.526   37.448   1.1232   40.296   1.6175 -2.848179 1.969279 
1 1 1    9   40   10 o   38.631   1.0142  1386.17   68.742  1306.67   80.343  1603.40  132.801   36.670   1.1287   40.591   1.6854 -3.921570 2.028424 
1 1 1    9   40   11 o   73.079   0.9453  5177.60  125.368  5149.36  152.124  5237.37  221.332   72.794   1.0766   73.365   1.5541 -0.5710373 1.890592 
1 1 1    9   40   12 o   41.127   1.0241  1604.01   76.783  1530.11   92.728  1765.17  136.948   39.673   1.2041   42.581   1.6568 -2.907803 2.048143 
1 1 1    9   40   13 o   55.458   0.9161  2984.08   93.750  2968.45  115.677  3014.00  160.033   55.264   1.0783   55.652   1.4814 -0.3876228 1.832272 
1 1 1    9   40   14 o   83.821   1.0090  6787.50  155.576  6681.53  190.848  6997.42  268.603   82.889   1.1861   84.753   1.6326 -1.863213 2.018017 
1 1 1    9   40   15 o   9.9887   2.6295   73.994   64.329   65.648   77.627   92.288  114.933   9.0918   3.3451   10.886   4.0579 -1.793941 5.258933 
1 1 1    9   40   16 o   31.771   1.1662  1012.28   68.345  1082.54   86.126  892.796  112.315   33.333   1.3311   30.209   1.9153 3.123749 2.332389 
1 1 1    9   40   17 o   43.101   0.9879  1802.82   78.111  1783.34   95.666  1841.78  135.295   42.789   1.1517   43.413   1.6055 -0.6235809 1.975855 
1 1 1    9   40   18 o   23.308   1.3682  540.298   61.063  591.965   82.645  478.181   90.618   24.578   1.7322   22.038   2.1182 2.540083 2.736338 
1 1 1    9   40   19 o   41.153   1.0233  1671.32   76.697  1698.29   93.928  1617.36  132.858   41.717   1.1599   40.589   1.6862 1.127937 2.046627 
1 1 1    9   40   20 o   7.9735   2.4275 -11.3653   65.253 -41.9460   80.134   48.820  112.419   6.4440   2.9299   9.5030   3.8713 -3.059001 4.855000 
1 1 1    9   40   21 o   13.336   2.4119  201.160   64.134  245.871   82.165  131.443  102.600   15.312   2.8697   11.360   3.8773 3.952637 4.823781 
1 1 1    9   40   22 o   27.857   1.2826  774.802   68.462  792.902   90.548  750.646  104.607   28.297   1.6485   27.418   1.9654 0.8788261 2.565219 
1 1 1    9   40   23 o   8.2826   2.4010   14.476   64.938 -47.3688   86.413   94.718   98.429   6.5294   2.9965   10.036   3.7525 -3.506508 4.802095 
1 1 1    9   40   24 o   21.742   1.6620  487.131   69.823  536.399   98.547  437.466   98.943   22.917   2.2153   20.568   2.4782 2.349157 3.323977 
1 1 1    9   41    0 o   73.008   0.8767  5178.00  115.521  5177.17  139.668  5179.80  205.536   73.012   0.9855   73.004   1.4504 0.7720947E-02 1.753471 
1 1 1    9   41    1 o   82.818   0.9369  6594.96  138.606  6489.56  165.545  6842.11  253.491   81.741   1.0433   83.896   1.5565 -2.155060 1.873839 
1 1 1    9   41    2 o   54.790   0.8551  2865.38   81.892  2801.59   96.173  3033.61  156.180   53.711   0.9224   55.869   1.4401 -2.157608 1.710179 
1 1 1    9   41    3 o  138.490   1.2633 18644.82  321.411 18622.81  395.114 18687.88  552.619  138.417   1.4705  138.564   2.0545 -0.1461639 2.526553 
1 1 1    9   41    4 o  109.084   1.0903 11599.50  218.528 11665.75  269.149 11471.34  374.342  109.572   1.2654  108.596   1.7758 0.9751816 2.180511 
1 1 1    9   41    5 o   47.166   0.8942  2160.43   74.979  2158.55   89.553  2164.83  137.126   47.143   0.9786   47.189   1.4970 -0.4664230E-01 1.788444 
1 1 1    9   41    6 o   80.968   0.9558  6363.20  141.611  6346.09  173.302  6397.58  245.661   80.823   1.1046   81.113   1.5602 -0.2900543 1.911636 
1 1 1    9   41    7 o   92.905   1.0153  8429.11  173.357  8510.15  213.776  8273.46  296.265   93.586   1.1768   92.225   1.6549 1.360847 2.030614 
1 1 1    9   41    8 o   30.251   1.1396  879.984   61.197  865.260   72.737  915.659  113.223   29.836   1.2559   30.665   1.9021 -0.8283558 2.279285 
1 1 1    9   41    9 o   53.614   0.9056  2775.04   85.734  2748.56  101.685  2840.16  159.442   53.191   0.9848   54.037   1.5200 -0.8456955 1.811159 
1 1 1    9   41   10 f   81.760   0.9981  6561.41  149.741  6691.21  184.863  6313.75  255.352   82.974   1.1477   80.545   1.6332 2.429550 1.996143 
1 1 1    9   41   11 o   72.856   0.9549  5150.90  126.260  5129.98  153.268  5195.07  222.718   72.653   1.0868   73.059   1.5704 -0.4067841 1.909775 
1 1 1    9   41   12 f   91.102   1.0536  8092.57  175.965  8125.98  216.129  8026.87  303.059   91.420   1.2179   90.783   1.7197 0.6375427 2.107292 
1 1 1    9   41   13 o   67.110   0.9291  4349.31  114.912  4281.22  141.251  4482.55  197.605   66.363   1.0965   67.858   1.5001 -1.495750 1.858142 
1 1 1    9   41   14 o   55.550   0.8977  3005.02   92.752  3010.50  115.725  2995.17  155.101   55.642   1.0714   55.458   1.4407 0.1833763 1.795456 
1 1 1    9   41   15 o   35.180   1.1728  1241.96   75.054  1314.59   92.930  1105.70  127.280   36.739   1.3031   33.621   1.9502 3.117592 2.345507 
1 1 1    9   41   16 o   49.756   0.8973  2389.75   83.126  2334.81  103.247  2490.96  140.151   48.977   1.0860   50.535   1.4287 -1.558582 1.794583 
1 1 1    9   41   17 o   23.504   1.5178  524.498   66.460  480.222   81.702  611.095  114.262   22.124   1.9024   24.884   2.3654 -2.760509 3.035528 
1 1 1    9   41   18 o   27.824   1.2144  759.668   64.553  761.547   84.220  756.992  100.507   27.892   1.5555   27.757   1.8654 0.1351757 2.428833 
1 1 1    9   41   19 o   20.272   1.7881  403.969   66.737  389.454   81.672  433.138  115.776   19.821   2.1227   20.722   2.8781 -0.9014378 3.576214 
1 1 1    9   41   20 o   19.512   1.7969  361.827   65.303  310.961   79.827  464.737  113.545   17.614   2.3346   21.409   2.7321 -3.794786 3.593726 
1 1 1    9   41   21 o   15.446   2.2460  242.747   64.063  192.421   81.398  324.655  103.843   13.395   3.1783   17.496   3.1744 -4.101447 4.492057 
1 1 1    9   41   22 o   10.637   2.5813  116.233   63.808  110.942   84.141  123.394   97.886   10.360   3.5114   10.914   3.7845 -0.5542297 5.162618 
1 1 1    9   41   23 o   14.803   2.3641  234.996   66.623  170.397   87.448  324.364  102.856   12.345   3.4925   17.261   3.1871 -4.916521 4.728164 
1 1 1    9   41   24 o   10.526   2.5903  111.192   69.166   44.767   96.265  182.076   99.442   8.5572   3.5442   12.494   3.7785 -3.937129 5.180630 
1 1 1    9   42    0 o   66.354   0.8709  4261.49  103.157  4236.69  123.444  4318.92  187.813   66.048   0.9628   66.659   1.4514 -0.6112976 1.741758 
1 1 1    9   42    1 o   80.227   0.9348  6287.21  137.128  6353.24  168.259  6156.60  236.636   80.874   1.0718   79.580   1.5318 1.294067 1.869550 
1 1 1    9   42    2 o  105.135   1.0933 10749.10  211.470 10755.36  260.464 10736.99  362.233  105.208   1.2754  105.062   1.7761 0.1461029 2.186610 
1 1 1    9   42    3 o   44.533   0.8991  1986.87   69.224  2064.82   82.036  1794.12  129.003   46.110   0.9165   42.957   1.5470 3.152660 1.798154 
1 1 1    9   42    4 o   52.327   0.8297  2612.34   79.484  2521.29   96.604  2803.14  139.847   50.950   0.9768   53.705   1.3414 -2.755428 1.659381 
1 1 1    9   42    5 o   54.047   0.8874  2881.81   85.279  2949.41  102.517  2729.95  153.658   55.106   0.9584   52.989   1.4939 2.116753 1.774846 
1 1 1    9   42    6 o  113.659   1.1995 12548.11  247.816 12510.59  301.338 12626.50  435.581  113.445   1.3684  113.874   1.9705 -0.4293976 2.399037 
1 1 1    9   42    7 o   38.696   0.9778  1448.16   67.201  1436.82   80.073  1475.16  123.585   38.455   1.0727   38.937   1.6351 -0.4823494 1.955522 
1 1 1    9   42    8 o  110.448   1.1638 11988.60  235.675 12243.28  290.820 11501.40  402.241  112.221   1.3350  108.675   1.9067 3.545891 2.327636 
1 1 1    9   42    9 o   25.641   1.4500  658.326   64.710  682.200   76.953  600.682  119.572   26.482   1.4970   24.800   2.4838 1.681499 2.899985 
1 1 1    9   42   10 o   27.494   1.3927  748.936   66.924  765.322   79.478  709.005  124.070   28.047   1.4598   26.942   2.3723 1.104757 2.785494 
1 1 1    9   42   11 o   38.274   1.0639  1427.11   71.687  1429.36   85.083  1421.60  133.094   38.347   1.1430   38.201   1.7948 0.1460419 2.127874 
1 1 1    9   42   12 o   38.512   1.0646  1426.03   74.697  1393.58   90.604  1494.88  131.983   37.855   1.2330   39.170   1.7358 -1.314320 2.129160 
1 1 1    9   42   13 o   35.905   1.0836  1245.70   72.059  1223.05   89.026  1288.73  122.709   35.453   1.2936   36.356   1.7387 -0.9026566 2.167165 
1 1 1    9   42   14 o   63.108   0.9120  3871.69  107.293  3855.69  134.067  3900.19  178.938   62.955   1.0970   63.261   1.4571 -0.3063583 1.823935 
1 1 1    9   42   15 o   43.980   0.9789  1852.65   77.484  1800.26   92.859  1972.73  140.594   43.007   1.1123   44.952   1.6112 -1.944221 1.957858 
1 1 1    9   42   16 o   45.124   0.9272  1973.05   78.716  1935.48   99.279  2036.64  129.172   44.575   1.1474   45.674   1.4569 -1.099384 1.854472 
1 1 1    9   42   17 o   18.870   2.0409  382.290   65.414  420.363   79.778  304.170  114.276   20.678   1.9875   17.062   3.5653 3.616585 4.081853 
1 1 1    9   42   18 o   37.683   0.9711  1386.02   68.765  1377.33   86.848  1400.62  112.581   37.561   1.1911   37.806   1.5341 -0.2442589 1.942191 
1 1 1    9   42   19 o   43.015   1.0216  1844.18   80.285  1904.79   99.094  1728.40  136.967   44.144   1.1564   41.885   1.6846 2.258774 2.043300 
1 1 1    9   42   20 f   10.536   2.5157   68.273   64.829  -3.7717   79.261  213.879  112.680   7.1198   3.0905   13.953   3.9705 -6.832944 5.031495 
1 1 1    9   42   21 o   15.800   2.1713  243.845   64.505  137.156   81.687  420.578  105.136   11.306   3.4258   20.294   2.6688 -8.988115 4.342673 
1 1 1    9   42   22 o   20.923   1.6839  445.349   67.161  442.550   87.130  449.447  105.424   20.936   2.1439   20.911   2.5972 0.2567291E-01 3.367755 
1 1 1    9   42   23 o   34.914   1.4021  1224.19   92.851  1263.99  148.791  1198.81  118.828   35.238   2.1752   34.590   1.7697 0.6475372 2.804169 
1 1 1    9   42   24 o   20.284   1.8646  435.009   72.773  449.536   97.972  417.127  108.695   20.784   2.4283   19.783   2.8304 1.000568 3.729292 
1 1 1    9   43    0 o   17.958   2.0518  382.626   53.801  431.711   61.575  224.224  110.613   21.073   1.5053   14.842   3.8175 6.230393 4.103578 
1 1 1    9   43    1 o   10.946   2.4193  112.071   53.166  107.310   62.886  124.001   99.544   10.363   2.9719   11.529   3.8183 -1.165371 4.838520 
1 1 1    9   43    2 o   48.729   0.8960  2347.41   75.787  2399.07   89.597  2217.52  142.081   49.701   0.9287   47.757   1.5326 1.944214 1.792045 
1 1 1    9   43    3 o   74.321   0.9187  5293.08  122.643  5174.63  146.910  5565.47  222.776   72.986   1.0369   75.657   1.5169 -2.670319 1.837438 
1 1 1    9   43    4 o   78.089   0.9543  5838.81  133.450  5703.47  159.447  6155.35  243.847   76.621   1.0720   79.556   1.5790 -2.934265 1.908518 
1 1 1    9   43    5 f   39.167   1.0192  1465.11   70.617  1428.76   83.564  1555.91  132.076   38.346   1.1226   39.987   1.7015 -1.641273 2.038487 
1 1 1    9   43    6 o   43.754   0.8541  1868.36   68.568  1884.63   84.387  1836.75  117.629   44.045   0.9870   43.462   1.3942 0.5827065 1.708228 
1 1 1    9   43    7 o   50.380   0.9057  2485.88   81.568  2515.79   98.157  2419.14  146.629   50.889   0.9937   49.872   1.5146 1.017029 1.811459 
1 1 1    9   43    8 f   7.8028   2.3836 -35.5174   61.336 -69.3921   72.568   49.215  114.772   5.7051   2.6623   9.9004   3.9546 -4.195267 4.767280 
1 1 1    9   43    9 o   38.053   1.0870  1395.47   74.311  1373.56   89.175  1445.27  134.428   37.587   1.2222   38.518   1.7979 -0.9308662 2.173970 
1 1 1    9   43   10 o   24.929   1.5338  625.217   66.285  650.466   78.732  563.756  122.836   25.852   1.5689   24.006   2.6360 1.845602 3.067538 
1 1 1    9   43   11 o   48.242   0.9632  2305.46   84.550  2389.06  103.993  2142.42  145.220   49.576   1.0806   46.907   1.5949 2.669403 1.926465 
1 1 1    9   43   12 o   45.864   0.9817  2044.00   81.890  2037.88   99.635  2056.75  143.758   45.780   1.1212   45.948   1.6118 -0.1673431 1.963362 
1 1 1    9   43   13 o   44.393   0.9710  1935.91   79.372  1973.33   98.340  1865.97  134.437   45.039   1.1248   43.748   1.5831 1.291183 1.941983 
1 1 1    9   43   14 o   12.403   2.4801  159.173   61.591  170.585   77.631  139.788  101.178   12.871   3.1360   11.936   3.8430 0.9352541 4.960170 
1 1 1    9   43   15 o   30.082   1.2507  890.813   68.700  901.823   84.259  868.980  118.659   30.403   1.4277   29.761   2.0539 0.6412964 2.501385 
1 1 1    9   43   16 o   25.596   1.3216  648.148   62.924  662.520   78.984  623.180  104.108   26.028   1.5632   25.163   2.1314 0.8655071 2.643199 
1 1 1    9   43   17 o   36.587   1.1117  1337.59   72.907  1384.06   88.521  1239.59  128.548   37.662   1.2108   35.513   1.8647 2.149052 2.223346 
1 1 1    9   43   18 o   24.170   1.3744  578.564   63.109  583.566   81.539  571.091   99.664   24.346   1.7253   23.993   2.1398 0.3528709 2.748741 
1 1 1    9   43   19 o   19.746   1.8429  390.930   66.548  385.044   81.312  402.871  115.813   19.651   2.1316   19.841   3.0070 -0.1901741 3.685865 
1 1 1    9   43   20 o   16.388   2.1827  253.973   65.344  189.057   79.337  390.876  115.215   13.292   3.1270   19.485   3.0462 -6.192030 4.365480 
1 1 1    9   43   21 o   21.631   1.5935  455.711   64.369  414.249   79.355  535.472  110.062   20.331   2.0107   22.931   2.4726 -2.599987 3.186908 
1 1 1    9   43   22 o   17.812   2.0105  322.974   66.772  257.576   86.068  421.843  105.825   15.454   2.9769   20.169   2.7029 -4.714846 4.020939 
1 1 1    9   43   23 o   30.301   1.3266  934.626   76.324  969.860   99.448  884.128  119.056   31.136   1.6454   29.466   2.0815 1.670494 2.653253 
1 1 1    9   44    0 o  104.348   1.1226 10622.34  213.453 10686.26  260.738 10492.46  371.679  104.861   1.2809  103.834   1.8440 1.026894 2.245243 
1 1 1    9   44    1 o   57.070   0.8876  3191.12   89.601  3229.13  106.972  3101.75  164.025   57.659   0.9557   56.480   1.4961 1.178654 1.775283 
1 1 1    9   44    2 o   79.439   0.9457  6142.98  136.867  6159.98  167.010  6108.22  238.833   79.627   1.0805   79.251   1.5525 0.3760681 1.891451 
1 1 1    9   44    3 o   35.843   1.0672  1286.44   67.347  1342.31   80.848  1159.80  121.727   37.168   1.1206   34.518   1.8167 2.650097 2.134468 
1 1 1    9   44    4 o   40.016   1.0097  1548.48   69.901  1538.19   81.867  1576.17  134.283   39.789   1.0599   40.243   1.7190 -0.4541969 2.019484 
1 1 1    9   44    5 o  136.727   1.3665 18216.28  341.442 18233.47  417.750 18181.68  592.616  136.904   1.5719  136.550   2.2357 0.3548584 2.733024 
1 1 1    9   44    6 o   60.944   0.8606  3548.84   95.397  3440.63  115.328  3783.31  169.763   59.511   0.9983   62.376   1.4020 -2.865032 1.721148 
1 1 1    9   44    7 o   46.793   0.9622  2188.75   80.737  2295.11   98.405  1969.73  141.217   48.599   1.0431   44.986   1.6171 3.613346 1.924356 
1 1 1    9   44    8 o   70.780   1.0744  4878.69  147.411  4950.36  204.044  4800.44  213.198   71.330   1.4736   70.230   1.5638 1.099174 2.148764 
1 1 1    9   44    9 o   69.630   0.9366  4678.47  117.629  4617.29  141.710  4814.01  210.932   68.929   1.0591   70.331   1.5450 -1.402481 1.873160 
1 1 1    9   44   10 o   56.290   0.9186  3070.25   93.997  3048.94  114.194  3115.03  165.534   56.009   1.0503   56.571   1.5074 -0.5623550 1.837230 
1 1 1    9   44   11 o   24.388   1.5498  551.231   70.013  488.799   85.138  681.643  123.049   22.381   1.9596   26.394   2.4016 -4.013292 3.099668 
1 1 1    9   44   12 o   70.120   0.9574  4836.35  122.946  4940.16  151.559  4636.57  210.250   71.270   1.0955   68.970   1.5704 2.299606 1.914752 
1 1 1    9   44   13 o   49.279   0.9400  2375.89   85.304  2398.57  105.431  2332.90  145.154   49.650   1.0939   48.907   1.5289 0.7424545 1.879977 
1 1 1    9   44   14 o   42.115   0.9561  1728.73   76.070  1727.57   97.012  1730.57  122.575   42.118   1.1866   42.111   1.4995 0.6076813E-02 1.912167 
1 1 1    9   44   15 o   26.084   1.3799  665.627   66.440  660.917   82.011  674.622  113.332   25.995   1.6253   26.174   2.2306 -0.1795349 2.759877 
1 1 1    9   44   16 o   20.589   1.6584  418.867   63.548  418.280   79.352  419.915  106.112   20.623   1.9822   20.555   2.6594 0.6747818E-01 3.316838 
1 1 1    9   44   17 o   31.603   1.2258  974.908   70.995  960.802   86.824  1003.37  123.325   31.325   1.4278   31.880   1.9928 -0.5546722 2.451547 
1 1 1    9   44   18 o   17.655   1.9089  322.270   62.047  338.116   80.500  299.078   97.386   18.413   2.2523   16.896   3.0828 1.516054 3.817854 
1 1 1    9   44   19 o   14.299   2.4673  208.362   64.921  179.462   79.155  267.757  113.475   12.954   3.1729   15.643   3.7792 -2.688858 4.934570 
1 1 1    9   44   20 o   17.977   2.2059  376.908   67.560  449.641   83.936  243.090  113.851   21.203   2.0393   14.750   3.9122 6.452996 4.411803 
1 1 1    9   44   21 o   8.7623   2.2307   20.248   66.641  153.159   84.438 -199.2845  108.520   11.796   3.4615   5.7284   2.8147 6.067679 4.461411 
1 1 1    9   44   22 f   27.724   1.3555  765.593   71.268  736.287   90.815  812.571  114.983   27.136   1.7241   28.311   2.0922 -1.175564 2.711037 
1 1 1    9   44   23 o   21.680   1.7974  489.057   74.476  474.826   96.738  509.767  116.699   21.423   2.3262   21.936   2.7406 -0.5125885 3.594714 
1 1 1    9   45    0 o   6.0586   2.0025 -79.3396   58.054 -25.7889   67.467 -232.0869  113.945   6.2323   2.7726   5.8849   2.8900 0.3473768 4.004936 
1 1 1    9   45    1 o   25.821   1.2535  593.595   58.771  504.741   69.735  811.429  109.188   22.778   1.5771   28.863   1.9488 -6.085276 2.506988 
1 1 1    9   45    2 o   13.700   2.2900  170.905   54.721  144.941   63.683  244.170  106.977   11.940   2.7968   15.461   3.6270 -3.521586 4.580023 
1 1 1    9   45    3 o   83.019   0.9881  6601.73  147.286  6445.06  176.326  6963.39  267.896   81.441   1.1153   84.597   1.6313 -3.155922 1.976173 
1 1 1    9   45    4 o   66.496   0.9032  4294.70  108.660  4288.56  131.617  4307.85  192.562   66.440   1.0205   66.553   1.4905 -0.1129303 1.806409 
1 1 1    9   45    5 f   49.662   0.8611  2409.47   78.706  2436.31   97.250  2358.52  133.999   50.076   1.0004   49.247   1.4017 0.8294716 1.722108 
1 1 1    9   45    6 f   23.257   1.5098  525.120   61.719  521.740   73.041  533.561  115.408   23.151   1.6253   23.362   2.5448 -0.2110023 3.019573 
1 1 1    9   45    7 o   29.466   1.3328  874.658   68.111  913.381   81.005  781.224  125.828   30.645   1.3617   28.288   2.2915 2.357063 2.665529 
1 1 1    9   45    8 o   8.6080   2.4863 -25.5638   63.161 -74.8164   73.858  108.487  121.848   5.6873   2.6644   11.529   4.1987 -5.841316 4.972672 
1 1 1    9   45    9 o   75.436   0.9663  5511.26  132.692  5464.96  161.360  5607.99  233.202   74.979   1.1086   75.893   1.5829 -0.9140015 1.932561 
1 1 1    9   45   10 o   62.942   0.9378  3911.09  107.530  4025.01  132.141  3687.77  185.009   64.347   1.0579   61.538   1.5488 2.809277 1.875589 
1 1 1    9   45   11 o   7.4734   2.3407 -29.2215   60.000 -41.0322   70.339   2.3315  114.968   6.0623   2.7520   8.8844   3.7871 -2.822120 4.681376 
1 1 1    9   45   12 o   45.096   0.9822  1997.56   80.451  2027.76   98.220  1935.98  140.242   45.651   1.1084   44.542   1.6220 1.108505 1.964497 
1 1 1    9   45   13 o   54.874   0.9177  2893.46   92.276  2814.64  112.447  3055.99  161.470   53.779   1.0771   55.969   1.4862 -2.190342 1.835499 
1 1 1    9   45   14 o   47.141   0.9247  2147.89   81.453  2097.82  101.645  2237.72  136.164   46.409   1.1283   47.873   1.4652 -1.464569 1.849302 
1 1 1    9   45   15 o   45.278   0.9808  2020.57   80.231  2053.83   97.539  1950.97  141.081   45.912   1.0944   44.644   1.6280 1.268513 1.961638 
1 1 1    9   45   16 o   44.613   0.9610  1933.16   79.467  1904.20   98.351  1987.63  134.876   44.180   1.1468   45.045   1.5425 -0.8647957 1.922073 
1 1 1    9   45   17 o   19.948   1.7898  392.151   66.201  377.308   81.639  420.654  113.129   19.491   2.1578   20.406   2.8560 -0.9150143 3.579516 
1 1 1    9   45   18 o   20.767   1.6207  416.974   62.849  380.274   77.496  487.496  107.426   19.545   2.0426   21.988   2.5169 -2.442780 3.241389 
1 1 1    9   45   19 o   14.575   2.2059  268.132   66.671  390.934   83.332   49.704  111.137   19.761   2.1724   9.3897   3.8399 10.37138 4.411766 
1 1 1    9   45   20 o   17.095   2.1813  295.636   67.208  266.579   81.733  356.303  118.101   16.135   2.6096   18.055   3.4960 -1.920424 4.362598 
1 1 1    9   45   21 o   11.611   2.5991  151.541   65.853  169.679   82.577  119.854  109.145   12.366   3.3548   10.856   3.9707 1.510453 5.198205 
1 1 1    9   45   22 o   20.726   1.9948  478.974   73.327  566.839   96.185  357.047  113.305   23.590   2.1004   17.862   3.3919 5.728802 3.989600 
1 1 1    9   46    0 o  107.570   1.2051 11295.30  236.986 11364.16  290.427 11158.10  409.962  108.111   1.3839  107.029   1.9732 1.081955 2.410150 
1 1 1    9   46    1 o   24.298   1.4243  574.562   60.703  573.724   71.820  576.658  113.588   24.287   1.5234   24.310   2.4070 -0.2311325E-01 2.848603 
1 1 1    9   46    2 o   57.096   0.9028  3100.95   89.799  3018.61  105.132  3323.11  172.687   55.743   0.9716   58.449   1.5220 -2.706154 1.805672 
1 1 1    9   46    3 o   57.227   0.9041  3208.00   93.271  3250.06  113.050  3118.34  165.062   57.837   1.0069   56.618   1.5019 1.219486 1.808178 
1 1 1    9   46    4 o   24.781   1.4843  660.700   60.985  737.366   72.461  474.512  112.922   27.535   1.3557   22.026   2.6410 5.508553 2.968639 
1 1 1    9   46    5 o   83.546   0.9950  6824.88  151.379  6892.55  184.997  6687.77  263.349   84.209   1.1317   82.883   1.6368 1.325821 1.989974 
1 1 1    9   46    6 o   18.831   2.0850  364.988   66.296  381.517   79.096  325.957  121.549   19.779   2.0601   17.883   3.6255 1.896307 4.169912 
1 1 1    9   46    7 o   45.070   0.9851  1972.73   79.521  1967.36   95.485  1984.88  143.652   44.990   1.0933   45.150   1.6390 -0.1601410 1.970219 
1 1 1    9   46    8 o  149.586   1.4727 21841.73  402.858 21849.67  493.223 21825.82  698.270  149.765   1.6966  149.407   2.4076 0.3582764 2.945326 
1 1 1    9   46    9 o   75.358   0.9842  5530.11  134.851  5536.36  164.188  5517.16  236.384   75.459   1.1209   75.257   1.6181 0.2026901 1.968423 
1 1 1    9   46   10 o   7.0439   2.2675 -48.9879   62.824 -47.2821   75.446 -52.8455  113.456   6.2169   2.8329   7.8709   3.5412 -1.653991 4.534968 
1 1 1    9   46   11 o   29.958   1.3260  926.935   70.696  1023.65   87.222  741.715  120.703   32.413   1.3862   27.503   2.2608 4.909985 2.651990 
1 1 1    9   46   12 o   8.9072   2.4735   48.053   63.044   79.295   75.770 -22.2421  113.655   9.4638   3.3269   8.3505   3.6612 1.113300 4.947003 
1 1 1    9   46   13 o   7.2842   2.3007 -32.5749   62.984 -38.0027   77.609 -22.1023  107.801   6.4688   2.9179   8.0996   3.5580 -1.630777 4.601495 
1 1 1    9   46   14 o   12.310   2.5392  149.001   62.884  124.412   79.020  191.467  103.843   11.079   3.3723   13.541   3.7971 -2.462102 5.078429 
1 1 1    9   46   15 o   32.991   1.2090  1085.42   72.066  1118.90   87.997  1017.22  125.586   33.843   1.3395   32.139   2.0130 1.704407 2.417910 
1 1 1    9   46   16 o   18.835   1.7666  341.013   62.482  305.377   77.508  407.151  105.591   17.527   2.2781   20.142   2.7006 -2.614870 3.533107 
1 1 1    9   46   17 o   12.167   2.0796  160.786   65.677  293.719   82.488 -69.4210  108.551   17.098   2.4854   7.2364   3.3348 9.861176 4.159107 
1 1 1    9   46   18 o   25.387   1.4534  665.558   67.888  733.275   86.381  556.166  109.790   27.259   1.6324   23.515   2.4052 3.744364 2.906858 
1 1 1    9   46   19 o   9.0824   2.5718   47.339   66.557   22.784   82.681   92.543  112.184   7.8134   3.2644   10.351   3.9749 -2.538065 5.143510 
1 1 1    9   46   20 o   16.968   2.2333  304.560   67.951  297.007   83.225  319.665  117.687   17.026   2.5181   16.909   3.6891 0.1169472 4.466583 
1 1 1    9   46   21 o   12.998   2.4724  198.847   65.979  244.019   85.080  130.696  104.504   14.957   3.0341   11.038   3.9044 3.918910 4.944719 
1 1 1    9   46   22 o   19.400   1.9253  398.778   70.726  401.599   91.090  394.494  112.231   19.673   2.3853   19.127   3.0228 0.5459728 3.850598 
1 1 1    9   47    0 o   38.505   1.0345  1447.45   69.958  1454.49   82.962  1430.14  130.147   38.686   1.1047   38.323   1.7495 0.3627052 2.069077 
1 1 1    9   47    1 o   38.280   1.0588  1359.41   69.882  1287.69   80.859  1571.09  138.914   36.398   1.1444   40.163   1.7818 -3.765297 2.117649 
1 1 1    9   47    2 o   7.4221   2.2917 -11.2628   58.849  -0.4100   70.750 -35.6312  106.015   6.9747   2.9719   7.8695   3.4894 -0.8947864 4.583445 
1 1 1    9   47    3 o   91.180   1.0486  8059.56  176.108  7995.79  216.724  8183.52  302.158   90.686   1.2311   91.674   1.6979 -0.9878769 2.097293 
1 1 1    9   47    4 o   95.501   1.0763  8916.94  187.071  8997.09  228.439  8753.75  325.951   96.199   1.2233   94.803   1.7712 1.396271 2.152577 
1 1 1    9   47    5 o   51.964   0.9393  2621.01   87.578  2612.73  105.297  2639.57  157.745   51.851   1.0461   52.077   1.5604 -0.2257538 1.878664 
1 1 1    9   47    6 o   71.907   0.9548  5079.52  124.576  5173.28  152.068  4888.20  217.222   72.956   1.0738   70.859   1.5792 2.096588 1.909694 
1 1 1    9   47    7 o   46.566   1.0965  2108.80   99.053  2017.20  137.590  2207.35  142.716   45.517   1.5572   47.615   1.5441 -2.098354 2.192949 
1 1 1    9   47    8 o   41.447   1.0088  1678.77   76.249  1691.53   93.251  1653.02  132.449   41.707   1.1518   41.188   1.6566 0.5193977 2.017669 
1 1 1    9   47    9 o   58.338   0.9083  3273.72   97.258  3196.46  118.811  3430.63  169.329   57.332   1.0676   59.344   1.4699 -2.011868 1.816668 
1 1 1    9   47   10 o   92.016   1.0632  8212.03  178.518  8129.87  217.528  8381.50  312.419   91.384   1.2263   92.647   1.7372 -1.263313 2.126358 
1 1 1    9   47   11 o   26.644   1.3564  689.483   65.289  680.561   78.788  709.036  116.639   26.410   1.5368   26.878   2.2355 -0.4680519 2.712822 
1 1 1    9   47   12 o   67.807   0.9466  4544.05  117.109  4668.60  144.072  4301.49  201.053   69.252   1.0717   66.363   1.5607 2.889000 1.893259 
1 1 1    9   47   13 o   77.708   0.9928  5874.21  141.170  5830.89  172.617  5961.70  245.315   77.353   1.1496   78.062   1.6189 -0.7091141 1.985537 
1 1 1    9   47   14 o   28.410   1.2469  772.662   66.347  723.331   82.416  863.504  111.839   27.185   1.5618   29.634   1.9442 -2.449427 2.493778 
1 1 1    9   47   15 o   35.560   1.0915  1269.18   70.161  1326.02   86.049  1156.45  121.187   36.847   1.2030   34.273   1.8215 2.573997 2.182950 
1 1 1    9   47   16 o   42.840   0.9719  1800.01   77.235  1802.15   96.082  1796.10  129.844   42.939   1.1527   42.741   1.5650 0.1981926 1.943708 
1 1 1    9   47   17 o   33.247   1.1839  1118.99   72.417  1188.17   90.861  998.513  119.900   34.792   1.3453   31.701   1.9484 3.091101 2.367730 
1 1 1    9   47   18 o   23.901   1.4962  591.033   63.973  627.858   78.324  517.231  110.881   25.212   1.6004   22.591   2.5285 2.620897 2.992428 
1 1 1    9   47   19 o   19.361   1.8987  365.110   68.385  318.741   83.553  459.200  119.020   17.695   2.4325   21.026   2.9160 -3.331177 3.797378 
1 1 1    9   47   20 o   33.280   1.2322  1104.75   75.589  1102.56   93.367  1108.92  128.771   33.379   1.4410   33.181   1.9992 0.1975136 2.464421 
1 1 1    9   47   21 o   19.788   1.8437  394.152   69.508  324.381   88.911  503.819  111.470   17.623   2.5990   21.953   2.6158 -4.329813 3.687460 
1 1 1    9   48    0 f   32.242   1.0929  1020.34   50.744  1024.68   55.590  998.691  124.268   32.478   0.8817   32.006   2.0001 0.4718933 2.185879 
1 1 1    9   48    1 f   38.420   0.9970  1493.92   68.545  1602.12   84.016  1278.54  118.538   40.603   1.0660   36.237   1.6852 4.365585 1.993993 
1 1 1    9   48    2 o   37.542   1.0163  1346.33   68.333  1308.63   81.567  1435.05  125.141   36.692   1.1452   38.391   1.6792 -1.698948 2.032532 
1 1 1    9   48    3 o   43.964   0.9943  1820.27   77.361  1740.05   91.199  2026.11  146.080   42.311   1.1104   45.617   1.6497 -3.306484 1.988549 
1 1 1    9   48    4 o   57.481   0.9270  3222.91   94.827  3237.02  113.505  3190.29  172.546   57.715   1.0131   57.248   1.5527 0.4661674 1.853963 
1 1 1    9   48    5 o   10.806   2.6188  102.861   62.534   97.907   75.163  114.000  112.713   10.157   3.3157   11.456   4.0546 -1.299435 5.237687 
1 1 1    9   48    6 o   32.275   1.1522  1015.55   68.213  1017.36   83.790  1011.99  117.460   32.337   1.3348   32.213   1.8784 0.1234322 2.304397 
1 1 1    9   48    7 o   27.631   1.3498  746.786   68.147  750.119   83.448  740.114  118.073   27.750   1.5491   27.513   2.2108 0.2371788 2.699544 
1 1 1    9   48    8 o   41.663   0.9712  1664.05   75.598  1597.81   93.976  1785.54  127.264   40.523   1.1947   42.803   1.5317 -2.279961 1.942491 
1 1 1    9   48    9 o   40.829   0.9656  1624.09   72.432  1623.97   89.077  1624.33  124.440   40.852   1.1233   40.807   1.5710 0.4531860E-01 1.931226 
1 1 1    9   48   10 o   57.561   0.8823  3220.79   94.097  3206.08  116.672  3248.15  159.157   57.403   1.0470   57.719   1.4205 -0.3159027 1.764686 
1 1 1    9   48   11 o   27.815   1.2961  776.752   64.248  809.263   77.810  707.096  113.894   28.804   1.3916   26.827   2.1871 1.977028 2.592299 
1 1 1    9   48   12 o   45.018   0.9849  1973.32   81.751  1962.14  100.796  1994.83  139.751   44.872   1.1572   45.164   1.5940 -0.2914276 1.969779 
1 1 1    9   48   13 o   31.469   1.2215  970.102   68.994  968.914   83.056  972.745  123.925   31.498   1.3584   31.441   2.0305 0.5721283E-01 2.442969 
1 1 1    9   48   14 o   29.534   1.2397  885.740   67.195  959.249   84.630  760.352  110.530   31.314   1.3922   27.753   2.0517 3.561543 2.479447 
1 1 1    9   48   15 o   22.895   1.5656  537.740   64.870  572.416   80.208  472.164  110.302   24.107   1.7140   21.683   2.6205 2.423437 3.131289 
1 1 1    9   48   16 o   12.502   2.6264  161.156   66.851  136.078   84.364  203.474  109.592   11.357   3.4896   13.647   3.9261 -2.290247 5.252744 
1 1 1    9   48   17 o   29.555   1.2851  846.909   70.127  806.790   85.847  927.371  121.576   28.611   1.5457   30.498   2.0536 -1.886862 2.570281 
1 1 1    9   48   18 o   27.775   1.3007  769.838   67.673  774.164   85.420  762.547  110.899   27.975   1.5730   27.574   2.0719 0.4008617 2.601318 
1 1 1    9   48   19 o   31.672   1.3127  999.550   76.071  991.487   93.109  1015.74  131.925   31.638   1.5161   31.706   2.1435 -0.6756973E-01 2.625447 
1 1 1    9   48   20 o   24.688   1.5092  601.905   69.265  561.235   85.225  681.039  118.882   23.629   1.8581   25.747   2.3787 -2.118057 3.018369 
1 1 1    9   48   21 o   35.098   1.1545  1249.75   76.387  1307.12   98.517  1163.27  120.961   36.267   1.3994   33.929   1.8366 2.338356 2.308937 
1 1 1    9   49    0 f   40.921   0.8664  1658.01   56.769  1681.74   64.415  1575.47  120.137   41.610   0.7975   40.232   1.5383 1.377674 1.732712 
1 1 1    9   49    1 o   23.505   1.5936  547.205   64.790  556.839   76.368  522.460  122.390   23.913   1.6452   23.097   2.7298 0.8162899 3.187226 
1 1 1    9   49    2 o   45.691   0.9933  2071.11   79.643  2127.70   94.964  1936.93  146.227   46.789   1.0456   44.593   1.6893 2.195751 1.986661 
1 1 1    9   49    3 o   26.850   1.4273  721.503   67.876  750.060   81.755  658.149  121.770   27.758   1.5173   25.943   2.4180 1.815182 2.854614 
1 1 1    9   49    4 o   96.341   1.1163  9063.13  196.589  9111.71  240.860  8966.17  340.253   96.784   1.2820   95.899   1.8278 0.8852844 2.232576 
1 1 1    9   49    5 f   55.935   0.9147  3051.55   93.973  3067.45  115.685  3020.70  161.130   56.172   1.0610   55.698   1.4903 0.4738388 1.829371 
1 1 1    9   49    6 o   40.707   0.9357  1637.06   71.671  1721.55   92.157  1507.74  114.010   42.072   1.1284   39.343   1.4928 2.729568 1.871341 
1 1 1    9   49    7 o   15.348   2.2136  229.294   61.299  201.463   75.319  283.890  105.494   14.055   2.8579   16.640   3.3812 -2.584933 4.427222 
1 1 1    9   49    8 o   41.370   0.9689  1659.89   73.284  1644.74   89.481  1690.74  127.713   41.112   1.1212   41.629   1.5804 -0.5174255 1.937762 
1 1 1    9   49    9 o   69.275   0.9168  4659.11  116.346  4625.71  142.415  4726.12  201.743   68.946   1.0641   69.604   1.4931 -0.6574554 1.833507 
1 1 1    9   49   10 o   27.272   1.2752  707.735   65.079  656.869   80.629  802.817  110.238   25.929   1.6019   28.615   1.9846 -2.685820 2.550446 
1 1 1    9   49   11 o   35.542   1.0581  1256.53   69.975  1319.83   88.572  1151.40  114.143   36.792   1.2402   34.293   1.7147 2.498837 2.116149 
1 1 1    9   49   12 o   36.538   1.1076  1343.73   72.239  1408.51   87.761  1207.61  127.216   38.006   1.1896   35.071   1.8686 2.934517 2.215159 
1 1 1    9   49   13 o   19.831   1.7704  375.113   64.626  343.923   78.357  441.465  114.287   18.654   2.1639   21.007   2.8026 -2.353020 3.540763 
1 1 1    9   49   14 o   14.106   2.3194  200.630   61.586  156.813   78.451  270.996   99.418   12.185   3.2550   16.028   3.3051 -3.843337 4.638874 
1 1 1    9   49   15 o   16.002   2.2503  270.084   65.982  276.954   82.873  258.189  109.052   16.576   2.5756   15.429   3.6908 1.146992 4.500607 
1 1 1    9   49   16 o   7.8640   2.4060 -16.1804   64.935 -50.6925   79.766   51.629  111.810   6.2495   2.8721   9.4784   3.8610 -3.228892 4.812071 
1 1 1    9   49   17 o   19.788   1.8125  362.867   66.358  259.269   81.502  566.598  114.294   15.945   2.6332   23.631   2.4915 -7.686235 3.625087 
1 1 1    9   49   18 o   7.4023   2.3230 -15.6566   66.507   10.964   84.110 -60.0680  108.639   7.5531   3.2299   7.2514   3.3397 0.3017344 4.646029 
1 1 1    9   49   19 o   29.042   1.4056  849.442   73.857  848.577   89.660  851.266  130.266   29.216   1.5809   28.868   2.3246 0.3479786 2.811202 
1 1 1    9   49   20 o   19.061   2.1674  423.156   71.442  501.877   90.968  296.456  115.407   22.175   2.1133   15.947   3.7848 6.227329 4.334836 
1 1 1    9   50    0 o   44.928   0.9199  1869.73   61.750  1819.64   67.806  2113.15  149.478   43.280   0.8071   46.576   1.6533 -3.295929 1.839772 
1 1 1    9   50    1 o   18.287   1.9225  287.585   62.062  219.192   72.905  467.575  118.271   14.740   2.6451   21.834   2.7905 -7.093726 3.844963 
1 1 1    9   50    2 f   34.784   1.0751  1203.29   67.775  1252.48   83.173  1106.05  116.926   35.887   1.1939   33.682   1.7883 2.204823 2.150261 
1 1 1    9   50    3 o   32.806   1.1078  1024.32   66.727  977.642   81.169  1121.63  117.192   31.697   1.3192   33.915   1.7801 -2.218088 2.215649 
1 1 1    9   50    4 o   33.874   1.0385  1083.98   65.298  1009.99   80.086  1230.72  112.784   32.216   1.2806   35.533   1.6351 -3.317009 2.076944 
1 1 1    9   50    5 o   16.929   2.2066  316.580   63.991  363.484   77.905  219.305  112.192   19.277   2.0819   14.581   3.8913 4.696641 4.413243 
1 1 1    9   50    6 o   34.353   1.1188  1139.39   69.039  1120.64   82.835  1182.04  124.940   33.926   1.2578   34.780   1.8506 -0.8536224 2.237573 
1 1 1    9   50    7 f   23.650   1.5051  515.619   64.404  464.717   76.571  638.708  119.072   21.805   1.8090   25.495   2.4059 -3.690063 3.010140 
1 1 1    9   50    8 o   18.898   1.8512  347.396   63.145  339.326   75.990  365.401  113.504   18.602   2.1045   19.195   3.0461 -0.5937958 3.702404 
1 1 1    9   50    9 f   7.1002   2.2502 -33.0005   62.491 -12.5246   77.326 -71.5519  106.102   6.9655   3.0377   7.2350   3.3204 -0.2695179 4.500312 
1 1 1    9   50   10 o   35.997   1.0244  1251.60   66.358  1228.89   79.711  1302.88  119.771   35.512   1.1563   36.482   1.6912 -0.9706497 2.048752 
1 1 1    9   50   11 o   53.705   0.9091  2797.02   89.424  2762.02  109.307  2867.87  155.497   53.247   1.0575   54.162   1.4790 -0.9154739 1.818155 
1 1 1    9   50   12 o   8.2895   2.4448   13.742   61.005  -3.7025   73.202   53.400  110.374   6.9288   2.9888   9.6501   3.8698 -2.721303 4.889602 
1 1 1    9   50   13 o   8.0868   2.4459   8.9996   66.302   21.584   82.079 -14.6314  112.474   7.8775   3.2685   8.2961   3.6396 -0.4186778 4.891818 
1 1 1    9   50   14 o   10.990   2.5446  125.196   62.662  143.299   78.399   93.176  104.268   11.632   3.3125   10.349   3.8636 1.282322 5.089259 
1 1 1    9   50   15 o   9.2515   2.5221   65.841   61.979   63.177   77.124   70.699  104.144   8.7849   3.3142   9.7182   3.8026 -0.9333086 5.044161 
1 1 1    9   50   16 o   16.436   2.2664  301.983   66.615  339.575   82.944  233.677  111.807   18.363   2.3269   14.510   3.8900 3.853030 4.532863 
1 1 1    9   50   17 o   8.6828   2.5157   43.200   66.034   45.084   83.346   40.023  108.225   8.3661   3.3600   8.9995   3.7452 -0.6333399 5.031481 
1 1 1    9   50   18 o   15.440   2.3292  301.397   66.490  376.629   80.799  143.582  117.025   19.289   2.1579   11.592   4.1283 7.696524 4.658325 
1 1 1    9   50   19 o   9.3625   2.5851   73.832   70.472  111.101   86.612   0.8265  121.221   10.233   3.5593   8.4915   3.7499 1.741920 5.170133 
1 1 1    9   50   20 o   9.6046   2.5748   83.072   71.771  140.152   92.226  -4.5764  114.284   11.103   3.6751   8.1065   3.6073 2.996338 5.149695 
1 1 1    9   51    0 o   18.881   1.6249  370.936   46.991  386.542   52.938  312.946  102.045   19.927   1.3685   17.835   2.9476 2.092220 3.249765 
1 1 1    9   51    1 o   11.833   2.2224  123.257   45.363  105.045   51.416  187.235   96.367   10.155   2.5977   13.511   3.6068 -3.355697 4.444869 
1 1 1    9   51    2 o   11.267   2.5845   97.941   62.654   55.256   75.103  195.644  113.624   8.6854   3.2718   13.849   4.0016 -5.163346 5.168915 
1 1 1    9   51    3 o   22.700   1.6811  519.116   67.031  539.595   80.300  472.046  121.738   23.512   1.7594   21.889   2.8651 1.622978 3.362207 
1 1 1    9   51    4 o   70.521   0.9678  4770.74  122.289  4656.57  146.165  5037.11  223.261   69.184   1.0884   71.858   1.6006 -2.673523 1.935554 
1 1 1    9   51    5 o   31.073   1.2708  960.109   70.665  988.209   85.540  899.720  125.400   31.844   1.3838   30.302   2.1319 1.542595 2.541614 
1 1 1    9   51    6 o   39.440   1.0443  1492.41   73.757  1454.54   88.091  1581.21  134.893   38.652   1.1741   40.228   1.7274 -1.575729 2.088635 
1 1 1    9   51    7 o   30.889   1.2122  923.254   67.697  907.096   81.660  958.761  121.054   30.500   1.3793   31.277   1.9938 -0.7775211 2.424388 
1 1 1    9   51    8 o   25.076   1.4833  662.211   63.529  724.855   76.121  518.426  115.324   27.251   1.4390   22.901   2.5942 4.349619 2.966537 
1 1 1    9   51    9 o   10.340   2.6019   96.144   63.418  105.638   76.421   75.145  113.652   10.364   3.3402   10.317   3.9902 0.4695988E-01 5.203730 
1 1 1    9   51   10 o   37.209   1.0707  1364.20   70.650  1379.47   84.522  1328.78  128.708   37.616   1.1575   36.802   1.8016 0.8138618 2.141444 
1 1 1    9   51   11 o   13.411   2.2612  206.543   62.876  282.646   78.725   72.478  104.489   16.880   2.4026   9.9416   3.8313 6.937930 4.522316 
1 1 1    9   51   12 o   34.596   1.0963  1221.72   70.125  1375.54   90.378  989.033  111.161   37.511   1.2412   31.681   1.8075 5.830309 2.192667 
1 1 1    9   51   13 o   31.938   1.2177  1011.02   70.607  1020.43   86.103  991.693  123.368   32.259   1.3750   31.618   2.0100 0.6404305 2.435330 
1 1 1    9   51   14 o   10.554   2.6318  108.059   65.354  111.839   80.848  100.932  111.014   10.465   3.4399   10.642   3.9840 -0.1772432 5.263515 
1 1 1    9   51   15 o   12.615   2.5138  172.645   63.069  175.677   79.663  167.553  103.235   12.782   3.2140   12.449   3.8660 0.3334208 5.027503 
1 1 1    9   51   16 o   8.2700   2.4746   10.240   66.184 -18.8588   81.993   64.652  112.122   6.8750   3.0576   9.6651   3.8916 -2.790127 4.949111 
1 1 1    9   51   17 o   17.356   2.1111  314.849   67.504  300.280   85.344  339.195  110.327   17.094   2.5720   17.617   3.3485 -0.5237560 4.222276 
1 1 1    9   51   18 o   8.7941   2.5642   44.654   67.966   34.226   84.167   64.198  115.226   8.0267   3.3184   9.5615   3.9099 -1.534894 5.128311 
1 1 1    9   51   19 o   12.463   2.7780  166.640   74.565  113.080   93.471  260.374  123.655   10.284   3.6867   14.643   4.1567 -4.359391 5.556052 
1 1 1    9   52    0 o   7.4137   2.3019 -45.1055   48.348 -65.6769   52.857   60.287  119.639   4.5970   2.1837   10.231   4.0530 -5.633528 4.603847 
1 1 1    9   52    1 o   45.537   0.9212  1946.41   65.005  1900.40   72.234  2142.39  149.075   44.218   0.8415   46.856   1.6390 -2.638050 1.842418 
1 1 1    9   52    2 o   20.189   1.9653  435.364   65.117  472.346   77.553  346.983  119.892   21.985   1.8172   18.394   3.4854 3.591583 3.930663 
1 1 1    9   52    3 o   59.509   0.9303  3452.12  100.222  3456.17  121.554  3443.53  177.119   59.603   1.0506   59.414   1.5357 0.1886559 1.860688 
1 1 1    9   52    4 o   7.6374   2.3570 -10.5885   63.759   11.829   77.075 -59.1839  113.479   7.5295   3.1493   7.7453   3.5078 -0.2158003 4.714088 
1 1 1    9   52    5 o   42.560   1.0066  1782.53   76.577  1808.25   92.225  1725.44  137.412   43.100   1.1023   42.020   1.6846 1.079819 2.013208 
1 1 1    9   52    6 o   30.220   1.1829  869.532   65.172  827.880   78.697  960.447  116.268   29.132   1.3916   31.308   1.9131 -2.175901 2.365711 
1 1 1    9   52    7 o   27.700   1.3153  767.452   64.964  792.900   78.523  712.247  115.653   28.499   1.4194   26.900   2.2148 1.599285 2.630585 
1 1 1    9   52    8 o   36.597   1.0765  1328.06   70.237  1358.25   84.623  1261.21  125.922   37.329   1.1678   35.864   1.8087 1.464703 2.152971 
1 1 1    9   52    9 o   34.364   1.1442  1178.77   70.568  1218.21   85.736  1095.94  124.259   35.334   1.2500   33.395   1.9168 1.939285 2.288399 
1 1 1    9   52   10 o   10.530   2.4011  106.389   65.497  177.900   80.504 -33.6230  112.646   13.031   3.2048   8.0282   3.5763 5.002605 4.802148 
1 1 1    9   52   11 o   8.6754   2.4911   39.782   62.965   44.110   77.101   31.117  109.104   8.2897   3.2633   9.0610   3.7647 -0.7712612 4.982174 
1 1 1    9   52   12 o   15.074   2.2797  243.264   63.506  259.981   79.548  213.885  105.455   16.087   2.5474   14.062   3.7813 2.025179 4.559347 
1 1 1    9   52   13 o   22.883   1.5722  518.785   66.166  508.200   81.168  539.751  114.235   22.644   1.8466   23.122   2.5451 -0.4778252 3.144439 
1 1 1    9   52   14 o   21.199   1.7033  443.695   67.221  422.305   83.136  484.087  114.242   20.572   2.0818   21.825   2.6966 -1.252464 3.406654 
1 1 1    9   52   15 o   12.874   2.5330  163.914   66.747   99.156   84.157  273.726  109.589   10.006   3.5069   15.743   3.6561 -5.737343 5.066088 
1 1 1    9   52   16 o   38.529   1.0988  1411.78   77.806  1298.56   94.209  1654.69  137.993   36.299   1.3370   40.759   1.7441 -4.459812 2.197611 
1 1 1    9   52   17 o   9.5102   2.4121   77.650   66.598  150.696   82.599 -58.0531  112.583   11.647   3.4252   7.3730   3.3972 4.274384 4.824214 
1 1 1    9   52   18 o   13.973   2.4179  243.008   72.119  327.393   90.553   96.645  119.257   17.682   2.6382   10.264   4.0528 7.417424 4.835865 
1 1 1    9   53    0 o   18.841   1.6697  355.306   47.533  359.324   52.880  338.398  108.472   19.198   1.4190   18.485   3.0230 0.7129230 3.339431 
1 1 1    9   53    1 o   25.219   1.2150  642.006   49.465  659.708   56.527  584.145  102.197   26.034   1.1185   24.403   2.1574 1.630518 2.430089 
1 1 1    9   53    2 o   13.980   2.2088  182.434   57.339  126.278   70.775  289.686   97.811   11.126   3.1400   16.835   3.1074 -5.709768 4.417699 
1 1 1    9   53    3 o   15.759   2.2141  257.226   61.734  267.287   74.737  235.617  109.527   16.484   2.3356   15.033   3.7622 1.450917 4.428247 
1 1 1    9   53    4 o   46.599   0.9316  2074.87   79.247  1997.33   96.009  2240.64  140.378   45.293   1.0920   47.904   1.5096 -2.611446 1.863148 
1 1 1    9   53    5 o   11.716   2.4245  113.027   58.920   57.927   71.481  229.808  104.065   8.6034   3.2015   14.828   3.6419 -6.224181 4.849059 
1 1 1    9   53    6 o   22.698   1.5132  509.471   62.157  514.003   75.563  499.986  109.309   22.912   1.6989   22.483   2.5046 0.4290981 3.026440 
1 1 1    9   53    7 o   23.591   1.4702  542.576   62.851  533.474   76.007  562.258  111.767   23.338   1.6777   23.844   2.4147 -0.5061970 2.940314 
1 1 1    9   53    8 o   13.716   2.3373  207.938   64.031  263.062   81.002  116.119  104.543   16.275   2.5639   11.157   3.9087 5.118056 4.674570 
1 1 1    9   53    9 o   38.344   1.0632  1456.66   73.773  1487.62   89.953  1393.04  128.932   39.039   1.1870   37.649   1.7642 1.390118 2.126352 
1 1 1    9   53   10 o   10.595   2.5385  112.068   64.115  144.302   78.537   47.664  111.014   11.718   3.3079   9.4720   3.8515 2.245882 5.077063 
1 1 1    9   53   11 o   22.728   1.5445  474.486   64.525  398.901   77.512  645.085  116.449   20.058   1.9907   25.398   2.3619 -5.340370 3.088965 
1 1 1    9   53   12 o   7.2016   2.2292 -25.5131   63.549   34.512   80.927 -122.0665  102.638   8.0970   3.2900   6.3062   3.0089 1.790812 4.458421 
1 1 1    9   53   13 o   25.817   1.4284  641.121   69.349  578.547   86.276  755.357  116.572   24.154   1.8400   27.480   2.1853 -3.325846 2.856795 
1 1 1    9   53   14 o   41.527   1.0490  1721.71   80.384  1771.58  100.174  1631.53  134.709   42.492   1.2145   40.563   1.7108 1.929111 2.098057 
1 1 1    9   53   15 o   35.033   1.1443  1192.10   74.965  1127.25   93.103  1311.64  126.410   33.794   1.4193   36.272   1.7953 -2.478062 2.288552 
1 1 1    9   53   16 o   10.233   2.6308   72.891   68.997   11.284   85.178  190.454  117.665   7.5648   3.2430   12.901   4.1433 -5.336525 5.261559 
1 1 1    9   53   17 o   8.9968   2.5699   59.334   68.341   59.259   87.994   59.448  108.489   8.7400   3.4717   9.2537   3.7901 -0.5137358 5.139799 
1 1 1    9   53   18 o   16.045   2.5174  288.022   73.811  265.201   91.681  330.060  124.434   15.400   3.1724   16.689   3.9095 -1.288998 5.034750 
1 1 1    9   54    0 o   23.202   1.5273  597.484   51.021  639.917   57.034  427.480  114.160   25.633   1.1462   20.771   2.8314 4.862429 3.054585 
1 1 1    9   54    1 o   30.910   1.1794  986.717   54.580  1019.80   60.914  851.996  122.926   32.374   0.9693   29.446   2.1505 2.927532 2.358892 
1 1 1    9   54    2 o   8.0626   2.2807   40.692   48.294   57.499   53.274 -36.8127  114.400   8.0204   2.7913   8.1048   3.6077 -0.8438873E-01 4.561459 
1 1 1    9   54    3 o   56.487   0.9498  3091.61   96.797  3055.28  116.697  3171.72  173.301   56.012   1.0733   56.962   1.5673 -0.9497108 1.899569 
1 1 1    9   54    4 o   11.986   2.0567  157.163   64.879  279.975   78.626 -104.8836  114.851   16.836   2.4059   7.1361   3.3365 9.699706 4.113446 
1 1 1    9   54    5 o   18.282   2.0961  369.030   62.090  406.117   73.521  276.801  115.942   20.343   1.8618   16.222   3.7560 4.121157 4.192131 
1 1 1    9   54    6 o   47.932   0.9621  2226.82   83.739  2195.98  101.481  2292.63  148.241   47.468   1.1013   48.397   1.5779 -0.9285355 1.924267 
1 1 1    9   54    7 o   56.913   0.9384  3146.47   97.027  3113.68  117.741  3215.86  171.279   56.518   1.0732   57.308   1.5397 -0.7902260 1.876770 
1 1 1    9   54    8 f   13.616   2.3841  184.143   62.501  133.104   79.642  265.977  100.845   11.334   3.3712   15.899   3.3721 -4.565080 4.768224 
1 1 1    9   54    9 o   17.789   1.8251  289.266   59.003  243.385   70.047  401.330  109.474   15.632   2.3085   19.946   2.8275 -4.313978 3.650151 
1 1 1    9   54   10 o   22.661   1.6023  533.248   65.851  581.743   82.312  447.029  109.754   24.278   1.7466   21.044   2.6868 3.233643 3.204571 
1 1 1    9   54   11 o   35.894   1.1512  1288.62   74.149  1319.17   89.877  1223.49  131.210   36.686   1.2621   35.103   1.9256 1.582943 2.302325 
1 1 1    9   54   12 o   37.314   1.1129  1386.04   76.380  1416.30   94.664  1329.60  129.294   38.000   1.2833   36.627   1.8185 1.373119 2.225712 
1 1 1    9   54   13 o   12.853   2.5839  183.652   66.323  194.955   81.986  162.247  112.820   13.436   3.1910   12.270   4.0650 1.165962 5.167804 
1 1 1    9   54   14 o   7.8650   2.4267   3.8592   66.524   13.276   80.617 -16.2366  117.770   7.4794   3.1793   8.2506   3.6671 -0.7711406 4.853423 
1 1 1    9   54   15 o   20.470   2.0086  461.820   70.435  503.338   86.581  380.575  121.118   22.367   1.9941   18.573   3.4874 3.793890 4.017227 
1 1 1    9   54   16 o   14.762   2.4874  262.939   71.625  312.735   88.547  168.683  121.823   17.338   2.6310   12.186   4.2222 5.151569 4.974837 
1 1 1    9   54   17 o   7.4723   2.3722 -17.3139   69.936 -23.9855   89.816  -7.0390  111.461   6.9545   3.1378   7.9901   3.5585 -1.035621 4.744331 
1 1 1    9   55    0 o   15.766   2.0447  200.436   49.884  165.359   54.988  363.506  118.560   12.762   2.3044   18.770   3.3782 -6.007063 4.089317 
1 1 1    9   55    1 o   9.2404   2.4584   49.479   49.566   34.309   55.139  113.359  113.148   7.1980   2.7806   11.283   4.0550 -4.084773 4.916759 
1 1 1    9   55    2 o   9.7914   2.2550  100.291   47.809  121.916   52.904   3.9475  111.664   10.884   2.5488   8.6989   3.7207 2.185019 4.510007 
1 1 1    9   55    3 o   32.737   1.1585  991.735   69.129  893.947   82.752  1217.59  125.762   30.250   1.4092   35.224   1.8393 -4.973581 2.317095 
1 1 1    9   55    4 o   13.541   2.5308  178.112   63.647  151.833   76.294  238.263  115.426   12.081   3.2018   15.002   3.9202 -2.920738 5.061569 
1 1 1    9   55    5 o   47.612   0.9586  2199.54   79.980  2179.17   94.404  2251.36  150.546   47.292   1.0283   47.932   1.6180 -0.6399918 1.917152 
1 1 1    9   55    6 o   22.455   1.6404  464.070   67.506  398.850   80.914  613.418  122.443   20.096   2.0742   24.814   2.5419 -4.718628 3.280828 
1 1 1    9   55    7 o   38.663   1.0800  1461.17   73.790  1453.58   87.709  1479.55  136.507   38.577   1.1712   38.749   1.8148 -0.1721840 2.159939 
1 1 1    9   55    8 o   37.705   1.0808  1397.59   74.209  1399.92   90.546  1392.82  129.513   37.831   1.2330   37.580   1.7754 0.2515564 2.161536 
1 1 1    9   55    9 o   40.824   0.9934  1639.75   74.585  1648.15   91.984  1623.62  127.439   41.051   1.1543   40.597   1.6171 0.4546814 1.986858 
1 1 1    9   55   10 o   55.357   0.9458  3014.85   96.223  3030.93  118.588  2983.86  164.632   55.673   1.0973   55.040   1.5409 0.6329536 1.891663 
1 1 1    9   55   11 o   15.851   2.3908  270.138   69.362  271.479   87.403  267.857  113.998   16.083   2.9066   15.620   3.7968 0.4629412 4.781662 
1 1 1    9   55   12 o   24.059   1.5709  588.099   67.584  598.497   81.659  565.489  120.412   24.570   1.7121   23.548   2.6343 1.022507 3.141745 
1 1 1    9   55   13 o   17.335   2.0761  308.602   65.930  287.560   82.260  346.398  110.247   16.778   2.5258   17.892   3.2957 -1.114542 4.152217 
1 1 1    9   55   14 o   13.941   2.6229  217.206   69.769  213.376   85.887  224.636  119.633   13.937   3.2367   13.945   4.1281 -0.7851601E-02 5.245729 
1 1 1    9   55   15 o   16.660   2.3829  310.553   72.509  325.683   90.793  283.911  120.482   17.701   2.6423   15.619   3.9664 2.082331 4.765887 
1 1 1    9   55   16 o   13.707   2.4278  234.911   72.971  320.507   91.274   83.299  121.475   17.442   2.6959   9.9730   4.0384 7.468540 4.855502 
1 1 1    9   56    0 o   37.333   0.9465  1285.54   57.459  1227.47   64.706  1502.12  124.961   35.508   0.9387   39.158   1.6439 -3.650078 1.893080 
1 1 1    9   56    1 o   23.520   1.2878  509.324   51.248  477.247   58.596  613.710  105.703   22.102   1.3657   24.938   2.1836 -2.835388 2.575500 
1 1 1    9   56    2 o   14.239   1.9800  177.496   47.950  139.405   55.322  292.525   96.138   11.636   2.5220   16.841   3.0531 -5.205388 3.960086 
1 1 1    9   56    3 o   11.133   2.3934  129.214   58.838  167.413   75.909   71.729   93.122   12.657   3.1115   9.6085   3.6376 3.048372 4.786855 
1 1 1    9   56    4 o   45.729   0.9460  2031.37   78.704  2006.74   95.601  2083.19  138.643   45.359   1.0858   46.098   1.5493 -0.7391853 1.891917 
1 1 1    9   56    5 o   30.843   1.1207  950.402   62.503  981.732   76.420  887.094  108.631   31.692   1.2422   29.994   1.8658 1.698101 2.241455 
1 1 1    9   56    6 o   30.566   1.2540  930.009   69.873  948.326   85.770  893.866  120.484   31.102   1.4206   30.029   2.0669 1.072702 2.508042 
1 1 1    9   56    7 o   25.967   1.4071  664.033   65.081  657.259   77.757  679.882  118.930   25.855   1.5493   26.079   2.3493 -0.2243328 2.814138 
1 1 1    9   56    8 o   33.874   1.1889  1120.39   72.072  1101.23   86.253  1164.71  131.195   33.507   1.3261   34.242   1.9738 -0.7349472 2.377871 
1 1 1    9   56    9 o   5.9601   2.7896 -71.8398   80.645 -71.8398   80.645   0.0000   0.0000   5.9601   2.7896  ?   ?       ?      ? 
1 1 1    9   56   10 o   21.454   1.7148  480.862   66.965  522.484   83.938  407.990  111.066   22.936   1.8853   19.972   2.8648 2.963966 3.429541 
1 1 1    9   56   11 o   33.770   1.1674  1119.64   73.060  1097.55   90.361  1161.35  124.156   33.388   1.3942   34.151   1.8728 -0.7625542 2.334800 
1 1 1    9   56   12 o   8.8684   2.5601   49.007   66.624   56.727   80.356   32.030  119.170   8.5906   3.3461   9.1463   3.8756 -0.5556927 5.120178 
1 1 1    9   56   13 o   12.715   2.5157  191.644   66.870  232.434   82.183  111.733  115.029   14.677   2.9862   10.753   4.0495 3.923791 5.031477 
1 1 1    9   56   14 o   25.413   1.5917  650.209   75.070  630.195   92.887  687.901  127.468   25.027   1.9119   25.799   2.5453 -0.7713108 3.183427 
1 1 1    9   56   15 o   8.0446   2.4750   5.2477   74.529   51.520   93.246 -76.5974  124.013   8.6453   3.5242   7.4440   3.4760 1.201249 4.950023 
1 1 1    9   57    0 o   37.424   1.0411  1367.85   60.063  1365.38   66.997  1377.98  135.575   37.440   0.9218   37.407   1.8671 0.3274536E-01 2.082228 
1 1 1    9   57    1 o   15.825   2.2110  248.846   52.355  243.536   57.823  273.011  123.340   15.719   1.8950   15.932   3.9953 -0.2134790 4.421941 
1 1 1    9   57    2 o   38.983   0.9915  1470.34   59.403  1459.08   66.100  1517.60  135.439   38.705   0.8798   39.262   1.7771 -0.5577393 1.982924 
1 1 1    9   57    3 o   8.1677   2.2956   44.589   51.181   66.273   57.138 -43.4489  115.132   8.4152   2.8929   7.9202   3.5650 0.4950590 4.591106 
1 1 1    9   57    4 o   25.175   1.5348  635.183   68.267  643.368   81.578  616.058  124.697   25.572   1.6434   24.777   2.5927 0.7955341 3.069621 
1 1 1    9   57    5 o   26.215   1.4091  672.472   67.637  655.185   82.457  708.025  118.252   25.794   1.6468   26.636   2.2870 -0.8424015 2.818264 
1 1 1    9   57    6 o   22.211   1.5554  512.390   64.167  604.489   85.067  390.809   97.738   24.730   1.7721   19.693   2.5568 5.037062 3.110860 
1 1 1    9   57    7 o   8.1564   2.4396   7.9948   63.629 -15.8876   78.129   55.035  109.650   6.8161   3.0102   9.4968   3.8398 -2.680752 4.879108 
1 1 1    9   57    8 o   28.291   1.3453  793.579   70.014  791.641   86.253  797.323  119.877   28.341   1.5678   28.241   2.1867 0.1006107 2.690676 
1 1 1    9   57    9 o   32.625   1.2585  1066.42   74.799  1088.93   91.829  1022.02  128.942   33.267   1.4220   31.983   2.0768 1.283524 2.517020 
1 1 1    9   57   10 o   9.0885   2.3255   64.165   63.107  133.252   75.049 -102.6101  116.603   11.134   3.2623   7.0435   3.3149 4.090120 4.650926 
1 1 1    9   57   11 o   10.251   2.6363   89.700   65.470   58.627   80.266  151.470  113.169   8.6386   3.3499   11.863   4.0718 -3.224420 5.272683 
1 1 1    9   57   12 o   10.345   2.5118  107.997   69.261  171.626   85.370 -14.5415  118.472   12.434   3.4268   8.2563   3.6735 4.178203 5.023697 
1 1 1    9   57   13 o   12.290   2.7565  167.515   70.633  160.566   85.671  182.263  124.812   11.972   3.4791   12.609   4.2766 -0.6366730 5.513047 
1 1 1    9   57   14 o   9.3532   2.6627   64.071   72.637   41.844   92.568   99.686  117.176   8.4063   3.4781   10.300   4.0327 -1.893805 5.325369 
1 1 1    9   58    0 o   7.4628   2.1199   27.931   48.534   60.563   56.380 -65.4516   95.375   8.1595   2.8698   6.7661   3.1209 1.393366 4.239727 
1 1 1    9   58    1 o   42.288   0.9244  1755.49   61.839  1758.78   69.654  1743.23  134.359   42.490   0.8445   42.086   1.6446 0.4041824 1.848764 
1 1 1    9   58    2 o   32.169   0.9965  960.432   53.908  909.884   61.563  1126.62  111.625   30.530   1.0388   33.809   1.7009 -3.278873 1.993005 
1 1 1    9   58    3 o   21.344   1.6431  492.324   53.274  519.331   60.189  394.643  114.470   23.014   1.3473   19.674   2.9974 3.340864 3.286271 
1 1 1    9   58    4 o   19.171   1.9226  358.151   67.422  331.718   81.388  415.971  120.370   18.201   2.3035   20.140   3.0788 -1.939167 3.845205 
1 1 1    9   58    5 o   18.051   2.2188  364.627   66.401  397.212   79.054  286.569  122.356   19.974   2.0389   16.128   3.9415 3.845078 4.437660 
1 1 1    9   58    6 o   15.733   2.3928  259.757   67.263  249.071   81.642  282.337  118.678   15.428   2.8303   16.037   3.8590 -0.6087379 4.785698 
1 1 1    9   58    7 o   39.731   1.0782  1539.85   78.277  1510.09   95.348  1601.39  137.093   39.245   1.2516   40.218   1.7560 -0.9728737 2.156424 
1 1 1    9   58    8 o   23.818   1.5428  581.986   66.185  606.498   80.994  532.722  114.823   24.748   1.6860   22.889   2.5843 1.859129 3.085642 
1 1 1    9   58    9 o   7.5025   2.3385  -9.0988   65.435   20.305   79.265 -72.0103  115.943   7.6120   3.1895   7.3930   3.4208 0.2189226 4.677080 
1 1 1    9   58   10 o   28.682   1.4463  866.964   71.483  924.885   85.482  732.275  130.354   30.601   1.4390   26.762   2.5093 3.839800 2.892600 
1 1 1    9   58   11 o   11.719   2.6923  136.737   67.035  103.251   81.360  207.518  118.289   10.009   3.4515   13.429   4.1331 -3.420026 5.384684 
1 1 1    9   58   12 o   10.330   2.7059  106.346   71.155  111.915   90.589   97.377  114.970   10.345   3.6377   10.316   4.0067 0.2918339E-01 5.411720 
1 1 1    9   58   13 o   8.0122   2.4306   0.0318   74.381   72.700   91.621 -140.4551  127.391   9.1522   3.5707   6.8723   3.2986 2.279892 4.861100 
1 1 1    9   58   14 o   19.146   2.1369  405.829   74.620  433.109   96.560  365.383  117.573   20.394   2.4391   17.898   3.5095 2.496342 4.273803 
1 1 1    9   59    0 o   34.838   1.0937  1135.70   58.286  1100.57   64.432  1293.91  136.740   33.575   0.9886   36.101   1.9513 -2.525677 2.187398 
1 1 1    9   59    1 o   15.227   2.2639  260.636   49.555  269.830   54.138  213.130  123.062   16.530   1.6872   13.924   4.2017 2.605827 4.527771 
1 1 1    9   59    2 o   12.468   2.1925  195.738   52.479  233.415   59.058   54.342  114.409   15.321   1.9857   9.6139   3.9097 5.707254 4.385048 
1 1 1    9   59    3 o   11.651   2.3774  144.645   51.885  149.098   59.288  130.079  107.227   11.924   2.6318   11.378   3.9601 0.5461788 4.754900 
1 1 1    9   59    4 o   24.630   1.2992  532.894   52.525  480.682   58.874  736.564  116.279   22.124   1.3708   27.136   2.2074 -5.012230 2.598433 
1 1 1    9   59    5 o   16.670   2.1433  307.905   61.094  336.151   73.794  246.357  108.929   18.356   2.0710   14.983   3.7531 3.372390 4.286605 
1 1 1    9   59    6 o   14.785   2.4480  251.242   68.230  287.561   83.051  175.837  119.669   16.837   2.5411   12.733   4.1850 4.103573 4.896056 
1 1 1    9   59    7 o   10.501   2.6474   70.435   67.229   14.093   80.163  204.020  123.435   7.5096   3.1802   13.493   4.2335 -5.983099 5.294888 
1 1 1    9   59    8 o   14.023   2.5088  176.135   65.854  107.287   77.506  354.881  124.885   10.159   3.3694   17.888   3.7179 -7.728573 5.017556 
1 1 1    9   59    9 o   7.4729   2.3521 -47.1053   65.651 -93.7720   79.781   50.775  115.544   5.5583   2.6523   9.3876   3.8851 -3.829277 4.704113 
1 1 1    9   59   10 o   15.781   2.3815  247.536   68.499  176.940   83.462  393.214  119.894   12.626   3.3500   18.937   3.3858 -6.311168 4.763036 
1 1 1    9   59   11 o   7.0521   2.2823 -43.6774   69.873  -3.1676   84.634 -130.3948  123.828   7.2100   3.1603   6.8942   3.2938 0.3158073 4.564676 
1 1 1    9   59   12 o   7.5142   2.4014 -51.7851   72.799 -104.6625   91.102   41.630  121.089   5.8718   2.8107   9.1566   3.8944 -3.284735 4.802757 
1 1 1    9   59   13 o   39.500   1.2039  1566.85   87.774  1564.26  108.630  1571.74  148.979   39.665   1.4108   39.335   1.9511 0.3300209 2.407759 
1 1 1    9   60    0 o   8.6332   2.3101   60.406   47.507   63.388   54.062   50.297   99.540   8.1757   2.8138   9.0906   3.6645 -0.9148607 4.620198 
1 1 1    9   60    1 f   12.597   2.1221  205.953   48.506  241.722   54.072   58.537  109.771   15.624   1.7828   9.5700   3.8516 6.054127 4.244185 
1 1 1    9   60    2 o   10.011   2.5393   51.799   53.953   18.705   60.072  189.873  122.704   6.8218   2.8102   13.201   4.2302 -6.378864 5.078596 
1 1 1    9   60    3 o   21.255   1.7237  482.309   54.866  499.856   61.423  413.036  122.041   22.543   1.4036   19.967   3.1487 2.576328 3.447389 
1 1 1    9   60    4 o   16.790   2.1552  313.772   54.468  326.589   61.322  265.863  118.559   18.148   1.7407   15.431   3.9433 2.716954 4.310394 
1 1 1    9   60    5 o   11.701   2.6070  137.597   62.219  117.788   74.645  182.687  112.617   10.548   3.2893   12.853   4.0455 -2.305628 5.213981 
1 1 1    9   60    6 o   27.070   1.4509  730.531   71.118  722.143   86.142  748.488  126.033   26.986   1.6444   27.154   2.3910 -0.1686726 2.901886 
1 1 1    9   60    7 o   10.377   2.7020   91.099   67.323   64.281   80.686  152.555  122.142   8.8055   3.3734   11.949   4.2216 -3.143216 5.403909 
1 1 1    9   60    8 o   28.318   1.4807  808.346   72.591  807.701   85.375  810.030  137.911   28.544   1.5408   28.092   2.5290 0.4523449 2.961434 
1 1 1    9   60    9 o   12.111   2.6304  135.702   68.423   70.299   83.607  268.345  119.065   8.9969   3.4370   15.225   3.9829 -6.228265 5.260864 
1 1 1    9   60   10 f   17.424   2.2441  333.981   70.651  345.402   88.612  314.054  117.054   18.278   2.4975   16.570   3.7292 1.707796 4.488286 
1 1 1    9   60   11 f   18.602   2.1254  348.086   73.277  297.694   89.012  454.048  129.074   16.800   2.7295   20.404   3.2588 -3.604359 4.250837 
1 1 1    9   61    0 o   14.770   2.2344  280.151   50.123  309.203   55.269  145.558  118.959   17.684   1.6101   11.857   4.1686 5.826492 4.468771 
1 1 1    9   61    1 o   20.833   1.7330  463.254   53.649  478.462   59.881  401.386  120.774   22.044   1.3994   19.622   3.1708 2.422615 3.465905 
1 1 1    9   61    2 o   34.841   0.9808  1168.43   58.506  1139.06   67.862  1253.48  115.468   34.122   1.0245   35.561   1.6727 -1.439327 1.961545 
1 1 1    9   61    3 o   10.235   2.3369  111.825   50.722  122.939   58.968   80.216   99.448   10.732   2.8008   9.7375   3.7417 0.9944897 4.673796 
1 1 1    9   61    4 o   12.295   2.3429  103.061   51.767   52.061   57.680  314.267  117.380   7.7758   2.8794   16.815   3.6968 -9.039234 4.685855 
1 1 1    9   61    5 o   19.053   2.0929  372.637   67.238  359.938   78.766  406.746  129.091   18.889   2.1481   19.217   3.5926 -0.3280697 4.185802 
1 1 1    9   61    6 o   11.398   2.7361  137.473   68.733  136.037   82.332  140.774  124.850   11.168   3.4499   11.627   4.2477 -0.4593449 5.472215 
1 1 1    9   61    7 o   7.0260   2.2862 -63.2058   65.780 -93.5764   79.247   4.0797  117.955   5.5214   2.6371   8.5307   3.7352 -3.009306 4.572328 
1 1 1    9   61    8 o   15.719   2.4166  281.773   69.166  301.416   84.585  242.133  120.158   17.075   2.5520   14.364   4.1045 2.710203 4.833152 
1 1 1    9   61    9 o   19.865   2.1482  437.992   74.306  465.667   91.681  385.007  126.856   21.343   2.2129   18.387   3.6826 2.955732 4.296303 
1 1 1    9   61   10 o   9.4829   2.6715   70.034   72.449   43.317   92.207  113.139  117.121   8.3986   3.4728   10.567   4.0605 -2.168586 5.343069 
1 1 1    9   62    0 o   29.464   1.1649  891.195   56.568  920.693   65.388  803.443  112.779   30.646   1.0991   28.282   2.0543 2.364532 2.329818 
1 1 1    9   62    1 o   39.487   1.0575  1575.91   64.677  1599.95   72.620  1483.71  142.224   40.456   0.9247   38.518   1.9021 1.937851 2.115001 
1 1 1    9   62    2 o   7.9849   2.4246   8.8235   53.776  -2.8123   59.632   59.488  124.432   6.1698   2.6794   9.8001   4.0417 -3.630352 4.849183 
1 1 1    9   62    3 o   11.318   2.4353  143.647   52.937  153.828   58.770   99.866  121.873   12.034   2.5924   10.603   4.1233 1.431156 4.870514 
1 1 1    9   62    4 o   30.514   1.1220  959.406   55.276  990.763   63.335  859.173  113.235   31.798   1.0261   29.229   1.9957 2.568869 2.244017 
1 1 1    9   62    5 o   36.559   1.0582  1286.54   62.031  1257.78   69.863  1393.68  134.833   35.829   1.0045   37.289   1.8627 -1.460411 2.116319 
1 1 1    9   62    6 o   8.1458   2.4490   18.453   69.799   64.783   82.195 -101.3463  132.171   8.7884   3.3949   7.5033   3.5307 1.285022 4.898099 
1 1 1    9   62    7 o   10.040   2.7276   73.862   72.398   30.468   88.314  162.789  126.424   8.0504   3.3694   12.030   4.2902 -3.980066 5.455207 
1 1 1    9   62    8 o   7.6757   2.3930  -0.7221   68.868   21.673   86.126 -40.4306  114.683   7.7400   3.2880   7.6113   3.4778 0.1286659 4.786021 
1 1 1    9   62    9 o   13.777   2.6337  235.792   73.680  275.131   90.956  160.708  125.658   15.750   3.0853   11.804   4.2692 3.946063 5.267352 
1 1 1    9   63    0 o   12.969   2.4858  179.447   54.527  176.110   60.480  193.940  126.039   12.916   2.5027   13.023   4.2956 -0.1070032 4.971522 
1 1 1    9   63    1 o   19.055   2.0194  435.307   54.676  474.219   61.945  298.091  116.324   21.889   1.4579   16.221   3.7666 5.668226 4.038882 
1 1 1    9   63    2 o   19.344   1.6505  369.103   54.739  354.894   63.471  410.350  108.143   18.855   1.7341   19.834   2.8089 -0.9784775 3.301036 
1 1 1    9   63    3 o   19.948   1.8232  368.127   57.034  340.416   63.147  490.827  132.878   18.450   1.7632   21.447   3.1918 -2.996582 3.646373 
1 1 1    9   63    4 o   16.281   2.3510  298.753   54.843  303.379   60.032  275.412  134.847   17.403   1.7770   15.158   4.3533 2.244788 4.702040 
1 1 1    9   63    5 o   11.752   2.2728  175.714   56.972  212.930   63.588   24.272  128.275   14.420   2.2716   9.0835   3.9373 5.336706 4.545593 
1 1 1    9   63    6 o   11.359   2.7063  144.677   69.902  140.851   90.849  150.228  109.437   11.186   3.6449   11.531   4.0014 -0.3448486 5.412681 
1 1 1    9   63    7 o   10.460   2.7937  111.427   74.859  108.992   91.977  116.207  128.841   10.139   3.6547   10.781   4.2265 -0.6415787 5.587462 
1 1 1    9   64    0 o   39.136   0.8992  1519.18   62.610  1531.46   75.065  1491.12  113.495   39.528   0.9783   38.744   1.5091 0.7841492 1.798433 
1 1 1    9   64    1 o   28.394   1.3207  754.974   60.870  711.839   68.428  918.509  133.237   26.840   1.3134   29.949   2.2918 -3.108957 2.641479 
1 1 1    9   64    2 o   27.811   1.3610  767.600   60.836  757.402   68.804  804.139  130.238   27.692   1.2800   27.929   2.4022 -0.2376690 2.721948 
1 1 1    9   64    3 o   29.547   1.2155  905.617   58.215  933.650   66.825  817.371  118.562   30.801   1.1177   28.293   2.1588 2.508297 2.430932 
1 1 1    9   64    4 o   25.683   1.5284  656.516   59.832  645.046   66.414  705.938  137.855   25.513   1.3410   25.853   2.7470 -0.3397560 3.056819 
1 1 1    9   64    5 o   29.735   1.4200  876.590   64.870  861.676   72.170  939.320  148.010   29.514   1.2597   29.957   2.5453 -0.4429741 2.839947 
1 1 1    9   65    0 o   8.9261   3.0584   82.854   63.841   82.854   63.841   0.0000   0.0000   8.9261   3.0584  ?   ?       ?      ? 
1 1 1    9   65    1 o   8.2969   2.2829   57.493   54.105   84.705   64.153  -9.5442  100.692   8.9954   3.0660   7.5985   3.3833 1.396895 4.565850 
1 1 1    9   65    2 o   8.0423   2.2612   47.476   55.416   84.800   61.780 -106.2001  125.361   8.9657   3.0090   7.1188   3.3762 1.846934 4.522490 
1 1 1    9   65    3 o   25.683   1.5910  624.829   60.617  595.847   66.339  771.423  149.197   24.487   1.3956   26.879   2.8595 -2.391840 3.181900 
1 1 1   10    0    0 o  199.245   1.7282 38555.50  668.136 38562.84  950.465 38548.32  939.406  199.263   2.4581  199.227   2.4299 -0.000000 0.000000 
1 1 1   10    0    1 o   22.729   0.7383  497.746   32.188  582.087   48.770  432.660   42.843   24.424   1.0329   21.034   1.0554 -0.000000 0.000000 
1 1 1   10    0    2 o  169.364   1.5797 27846.54  518.987 28389.68  744.976 27334.39  723.414  170.968   2.2456  167.760   2.2223 -0.000000 0.000000 
1 1 1   10    0    3 o  406.749   2.4302 160810.91  1812.25 161082.59  2224.93 160275.20  3123.84  407.302   2.8144  406.196   3.9626 -0.000000 0.000000 
1 1 1   10    0    4 o  107.842   1.1771 11304.29  245.611 11397.40  335.931 11197.36  360.012  108.324   1.5984  107.361   1.7285 -0.000000 0.000000 
1 1 1   10    0    5 o   33.445   0.7597  1090.51   49.135  1139.59   68.885  1039.68   70.106   34.217   1.0393   32.672   1.1083 -0.000000 0.000000 
1 1 1   10    0    6 o  164.388   1.5080 26359.06  475.241 27021.75  629.821 25482.88  724.205  166.808   1.9457  161.968   2.3044 -0.000000 0.000000 
1 1 1   10    0    7 o  240.908   1.8112 56401.10  827.458 56534.22  1063.39 56196.79  1317.40  241.285   2.2708  240.531   2.8224 -0.000000 0.000000 
1 1 1   10    0    8 f   54.275   0.8402  2863.85   88.151  2869.19  120.119  2857.61  129.769   54.333   1.1400   54.216   1.2345 -0.000000 0.000000 
1 1 1   10    0    9 o   27.427   1.0751  740.822   54.270  750.435   67.716  723.559   90.740   27.719   1.2645   27.135   1.7390 -0.000000 0.000000 
1 1 1   10    0   10 o   68.481   0.9802  4570.04  129.700  4727.48  177.884  4391.33  189.515   69.749   1.3149   67.212   1.4541 -0.000000 0.000000 
1 1 1   10    0   11 o   29.935   1.0938  881.422   61.674  898.908   79.589  855.141   97.574   30.339   1.3576   29.530   1.7154 -0.000000 0.000000 
1 1 1   10    0   12 o   10.820   2.5958  163.036   58.897  226.032   75.392   64.388   94.345   14.369   3.0780   7.2718   4.1808 -0.000000 0.000000 
1 1 1   10    0   13 f  261.477   1.9779 66444.52  978.789 66437.82  1568.36 66448.80  1252.68  261.429   3.0915  261.524   2.4680 -0.000000 0.000000 
1 1 1   10    0   14 o  111.922   1.2910 12190.86  279.547 12425.13  383.657 11925.72  408.158  113.077   1.7488  110.768   1.8995 -0.000000 0.000000 
1 1 1   10    0   15 o   60.271   0.9363  3508.46  108.654  3346.31  143.987  3722.90  165.587   58.667   1.2657   61.875   1.3802 -0.000000 0.000000 
1 1 1   10    0   16 o   82.775   1.0528  6657.67  168.831  6612.78  232.759  6707.50  245.258   82.483   1.4547   83.067   1.5222 -0.000000 0.000000 
1 1 1   10    0   17 o   73.211   1.0201  5198.24  144.114  5089.41  193.394  5334.14  216.107   72.356   1.3780   74.066   1.5045 -0.000000 0.000000 
1 1 1   10    0   18 o  106.650   1.3796 11064.20  285.328 11091.32  399.517 11035.97  407.635  106.786   1.9287  106.514   1.9730 -0.000000 0.000000 
1 1 1   10    0   19 f   37.212   1.2415  1385.19   86.579  1514.92  113.301  1203.13  134.221   39.409   1.4859   35.016   1.9893 -0.000000 0.000000 
1 1 1   10    0   20 o  122.571   2.2139 14624.22  526.376   0.0000   0.0000 14624.22  526.376  122.571   2.2139  122.571   2.2139 -0.000000 0.000000 
1 1 1   10    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0   22 o   16.466   2.8390  358.547   82.469  535.252  111.087  141.588  123.092   23.025   2.5671   9.9079   5.0646 -0.000000 0.000000 
1 1 1   10    0   23 o   17.825   2.9728  359.008   88.149  364.613  115.729  351.263  136.043   18.323   3.6677   17.328   4.6796 -0.000000 0.000000 
1 1 1   10    0   24 o   36.775   1.3828  1327.78   97.234  1324.32  129.311  1332.28  147.495   36.748   1.8230   36.802   2.0798 -0.000000 0.000000 
1 1 1   10    0   25 o   26.231   1.7963  682.005   88.798  616.546  117.032  770.826  136.325   24.745   2.4946   27.718   2.5854 -0.000000 0.000000 
1 1 1   10    0   26 o   61.030   1.1317  3642.67  133.608  3734.39  184.755  3542.12  193.445   61.852   1.5409   60.209   1.6580 -0.000000 0.000000 
1 1 1   10    0   27 o   7.3326   3.1610   52.250   85.681   74.527  113.825   23.124  130.151   7.7126   4.5219   6.9525   4.4181 -0.000000 0.000000 
1 1 1   10    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0   29 o   87.372   1.2933  7505.60  218.837  7365.27  300.611  7663.81  319.188   86.527   1.7915   88.216   1.8658 -0.000000 0.000000 
1 1 1   10    0   30 o   38.549   1.4763  1487.20  108.304  1502.70  142.797  1466.20  166.178   38.881   1.9024   38.218   2.2580 -0.000000 0.000000 
1 1 1   10    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    1    0 o   83.341   0.6821  6741.93  110.343  6774.80  156.061  6709.07  156.035   83.545   0.9623   83.138   0.9668 0.4062500 1.364116 
1 1 1   10    1    1 o  168.257   1.1173 27482.77  364.927 27693.48  515.573 27271.23  516.597  168.903   1.5725  167.610   1.5878 1.292877 2.234664 
1 1 1   10    1    2 o   76.606   0.6476  5694.91   96.278  5761.78  137.746  5631.03  134.624   77.046   0.9210   76.167   0.9105 0.8791580 1.295110 
1 1 1   10    1    3 o  131.772   0.9418 16866.51  240.539 17072.51  332.159 16639.37  348.797  132.619   1.2903  130.925   1.3724 1.694107 1.883686 
1 1 1   10    1    4 o  423.242   1.6471 173930.00  1353.20 173193.80  1904.54 174680.70  1923.03  422.338   2.3231  424.146   2.3356 -1.808044 3.294230 
1 1 1   10    1    5 o   77.236   0.7408  5706.85  106.492  6079.95  180.632  5508.09  131.842   79.142   1.1758   75.330   0.9016 3.812141 1.481662 
1 1 1   10    1    6 o  216.135   1.1556 45346.16  484.812 45810.10  689.362 44892.14  681.954  217.228   1.6348  215.041   1.6337 2.187439 2.311172 
1 1 1   10    1    7 o  274.806   1.3006 73317.77  693.773 72973.77  977.826 73666.49  984.494  274.157   1.8374  275.455   1.8412 -1.297974 2.601133 
1 1 1   10    1    8 o  246.053   1.1939 58821.40  568.024 58259.13  839.162 59296.88  771.687  244.964   1.7647  247.142   1.6085 -2.178162 2.387816 
1 1 1   10    1    9 o   80.611   0.6988  6307.24  109.317  6325.15  156.480  6290.16  152.782   80.722   0.9986   80.499   0.9777 0.2233887 1.397566 
1 1 1   10    1   10 o  260.934   1.1846 66109.49  600.036 66148.63  848.462 66070.33  848.695  261.012   1.6746  260.857   1.6760 0.1546326 2.369248 
1 1 1   10    1   11 o   97.260   0.8500  9182.67  160.467  9280.24  228.488  9087.71  225.411   97.770   1.2039   96.751   1.2002 1.019447 1.699967 
1 1 1   10    1   12 o   57.515   0.6180  3211.58   68.983  3268.00   97.486  3154.99   97.629   58.021   0.8655   57.009   0.8822 1.012180 1.235904 
1 1 1   10    1   13 o  230.374   1.4029 51541.70  627.245 50568.10  877.266 52560.02  897.186  228.149   1.9808  232.599   1.9871 -4.449417 2.805723 
1 1 1   10    1   14 o  250.110   1.5131 60801.13  734.631 60712.19  1037.47 60890.56  1040.38  249.927   2.1384  250.293   2.1413 -0.3664093 3.026245 
1 1 1   10    1   15 o  131.279   0.9431 16733.19  240.295 16395.11  335.916 17087.49  343.880  129.921   1.3319  132.636   1.3356 -2.714737 1.886244 
1 1 1   10    1   16 o   92.388   0.8345  8290.13  149.662  8381.85  211.667  8198.43  211.642   92.899   1.1737   91.876   1.1867 1.022720 1.669098 
1 1 1   10    1   17 o   35.142   0.7513  1199.49   51.078  1197.27   75.329  1201.38   69.495   35.111   1.1052   35.173   1.0178 -0.6185532E-01 1.502520 
1 1 1   10    1   18 o   38.898   0.7956  1470.38   60.021  1486.12   83.343  1453.43   86.511   39.115   1.0976   38.681   1.1521 0.4339943 1.591295 
1 1 1   10    1   19 o   98.208   0.9200  9356.77  175.212  9046.01  241.262  9703.58  254.872   96.486   1.2881   99.929   1.3139 -3.443069 1.840000 
1 1 1   10    1   20 o   24.124   1.2316  565.828   57.652  544.416   80.507  588.365   82.597   23.655   1.7533   24.592   1.7302 -0.9370327 2.463252 
1 1 1   10    1   21 o  105.643   1.2057 10793.79  230.781 11048.70  409.803 10675.40  279.276  106.501   1.9822  104.785   1.3730 1.716110 2.411315 
1 1 1   10    1   22 o   25.982   1.2367  657.455   62.368  656.563   88.647  658.328   87.764   25.964   1.7588   26.000   1.7389 -0.3588295E-01 2.473348 
1 1 1   10    1   23 o   96.888   1.1288  9075.70  199.561  8951.91  242.935  9332.54  349.940   95.932   1.3046   97.843   1.8425 -1.911453 2.257544 
1 1 1   10    1   24 o   45.551   0.8225  2017.81   72.711  2071.35  104.274  1967.14  101.441   46.139   1.1642   44.963   1.1622 1.175396 1.645061 
1 1 1   10    1   25 o   49.021   0.8245  2330.35   78.247  2470.95  115.981  2212.91  106.006   50.369   1.1862   47.672   1.1455 2.696991 1.649021 
1 1 1   10    1   26 o   22.029   1.4293  481.663   60.473  437.201   89.548  518.941   81.994   21.060   2.1904   22.997   1.8367 -1.936928 2.858605 
1 1 1   10    1   27 o   22.878   1.4049  516.339   62.327  548.107   90.444  487.610   86.011   23.549   1.9786   22.208   1.9952 1.340940 2.809886 
1 1 1   10    1   28 o   27.770   1.2056  760.986   64.751  774.147   96.126  750.054   87.609   27.970   1.7705   27.570   1.6370 0.4003162 2.411289 
1 1 1   10    1   29 o   31.832   1.1371  1002.72   70.169  1007.48  102.005  998.445   96.678   31.888   1.6479   31.775   1.5674 0.1124649 2.274246 
1 1 1   10    1   30 o   20.587   1.7250  436.198   68.504  417.110  101.191  452.347   93.075   20.098   2.5937   21.076   2.2749 -0.9782696 3.450022 
1 1 1   10    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    2    0 o  249.726   1.3895 60543.41  673.576 60572.61  953.198 60514.28  951.963  249.786   1.9658  249.666   1.9642 0.1202393 2.778997 
1 1 1   10    2    1 o  313.332   1.6175 95319.58  979.455 95307.33  1324.43 95334.35  1455.09  313.314   2.1776  313.349   2.3922 -0.3463745E-01 3.234910 
1 1 1   10    2    2 o  275.030   1.3665 73392.73  721.869 73146.95  953.404 73722.92  1105.05  274.495   1.7893  275.564   2.0658 -1.068970 2.732977 
1 1 1   10    2    3 o  180.524   1.1235 31616.81  391.663 31449.03  527.052 31823.72  585.308  179.991   1.5085  181.057   1.6653 -1.065933 2.246964 
1 1 1   10    2    4 o  259.203   1.2526 65224.89  630.231 64876.62  889.428 65576.09  893.147  258.509   1.7724  259.898   1.7703 -1.389893 2.505114 
1 1 1   10    2    5 o  116.776   0.8946 13213.08  202.075 12962.95  273.413 13514.19  299.987  115.560   1.2188  117.991   1.3098 -2.430397 1.789137 
1 1 1   10    2    6 o   90.442   0.8669  7870.77  143.773  7732.97  175.684  8150.20  250.170   89.256   1.0140   91.629   1.4065 -2.372765 1.733891 
1 1 1   10    2    7 o  115.437   0.8372 12935.42  187.603 12935.63  265.526 12935.21  265.096  115.438   1.1849  115.436   1.1830 0.1831055E-02 1.674405 
1 1 1   10    2    8 o  185.704   1.0795 33527.00  388.251 32669.20  564.201 34298.57  535.094  183.443   1.5844  187.965   1.4665 -4.522079 2.158946 
1 1 1   10    2    9 o  255.513   1.3740 63419.12  675.962 63194.34  1022.37 63593.69  901.003  255.103   2.0645  255.922   1.8136 -0.8189240 2.748031 
1 1 1   10    2   10 o  116.343   0.8894 13146.66  200.744 13361.94  280.603 12920.97  287.307  117.320   1.2321  115.367   1.2829 1.953148 1.778767 
1 1 1   10    2   11 o   72.774   0.7904  5111.44  106.604  5241.75  180.990  5042.21  131.914   73.478   1.2689   72.071   0.9429 1.407433 1.580889 
1 1 1   10    2   12 o   82.972   0.7216  6682.18  116.215  6539.32  163.191  6829.18  165.540   82.072   1.0243   83.871   1.0168 -1.799355 1.443278 
1 1 1   10    2   13 o   64.554   0.6776  4039.61   84.834  3916.36  116.886  4176.81  123.318   63.515   0.9480   65.593   0.9685 -2.077602 1.355279 
1 1 1   10    2   14 o  107.550   0.8635 11228.83  180.243 11077.24  251.883 11387.92  258.032  106.807   1.2149  108.293   1.2275 -1.486900 1.727021 
1 1 1   10    2   15 o   86.749   0.7863  7308.08  132.413  7243.90  187.412  7372.04  187.107   86.369   1.1178   87.130   1.1063 -0.7610703 1.572694 
1 1 1   10    2   16 o   38.118   0.8794  1443.99   61.774  1301.99  102.505  1524.98   77.411   36.608   1.4425   39.629   1.0063 -3.020977 1.758792 
1 1 1   10    2   17 o   70.211   0.7137  4783.95   97.236  4914.12  139.764  4661.84  135.365   71.136   1.0121   69.286   1.0065 1.849815 1.427372 
1 1 1   10    2   18 o   59.745   0.9207  3516.85   99.196  3604.23  120.641  3334.46  174.290   60.919   1.0202   58.571   1.5329 2.347729 1.841387 
1 1 1   10    2   19 o  108.630   1.2111 11527.34  241.899 11637.63  298.453 11316.16  412.992  109.426   1.4050  107.834   1.9730 1.592506 2.422139 
1 1 1   10    2   20 o   67.790   0.7608  4463.80  100.109  4517.44  142.556  4411.62  140.615   68.191   1.0769   67.388   1.0749 0.8033295 1.521603 
1 1 1   10    2   21 o   67.721   0.7731  4452.08  101.499  4535.14  147.821  4377.99  139.613   68.317   1.1147   67.126   1.0714 1.191208 1.546114 
1 1 1   10    2   22 o   89.100   1.0837  7727.94  176.790  7718.60  305.775  7732.64  216.677   89.021   1.7695   89.180   1.2516 -0.1587982 2.167415 
1 1 1   10    2   23 o   52.731   0.7945  2701.60   81.289  2651.09  113.018  2755.73  117.006   52.221   1.1149   53.240   1.1322 -1.019268 1.588954 
1 1 1   10    2   24 o   34.793   0.9565  1174.43   64.407  1310.84   94.067  1054.03   88.370   36.691   1.3207   32.896   1.3839 3.794975 1.912977 
1 1 1   10    2   25 o   30.777   1.0884  927.067   64.781  894.028   94.822  955.985   88.710   30.253   1.6146   31.302   1.4600 -1.048969 2.176821 
1 1 1   10    2   26 o   44.591   0.8592  1939.52   74.352  1926.34  106.313  1952.12  104.022   44.440   1.2324   44.743   1.1977 -0.3025208 1.718490 
1 1 1   10    2   27 o   8.4136   2.3987   38.089   60.302   38.416   86.779   37.782   83.858   8.4730   3.4194   8.3541   3.3649 0.1189051 4.797441 
1 1 1   10    2   28 o   47.493   0.8478  2205.12   78.085  2294.87  113.537  2124.57  107.563   48.405   1.2083   46.581   1.1896 1.824181 1.695607 
1 1 1   10    2   29 o   31.657   1.1459  991.924   70.405  1017.31  100.667  967.619   98.503   32.054   1.6179   31.259   1.6233 0.7947235 2.291871 
1 1 1   10    2   30 o   39.214   1.0137  1523.28   77.054  1434.32  109.141  1611.68  108.801   38.048   1.4777   40.381   1.3880 -2.332317 2.027363 
1 1 1   10    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    3    0 o  609.781   2.2673 361120.31  2683.58 360224.91  3772.59 362037.31  3818.14  609.018   3.1911  610.544   3.2216 -1.526306 4.534522 
1 1 1   10    3    1 o  233.690   1.3362 53010.52  606.105 52497.34  850.898 53539.10  863.566  232.542   1.8850  234.838   1.8944 -2.295685 2.672414 
1 1 1   10    3    2 o  231.833   1.2785 52104.32  570.484 51628.29  757.239 52729.14  867.533  230.614   1.6915  233.053   1.9176 -2.439438 2.557076 
1 1 1   10    3    3 o   78.283   0.6449  5949.02   97.928  5968.45  136.028  5928.12  141.092   78.415   0.8936   78.150   0.9301 0.2655563 1.289804 
1 1 1   10    3    4 o  309.994   1.5381 93425.10  899.115 93819.52  1144.40 92788.98  1453.33  310.863   1.8965  309.125   2.4220 1.738708 3.076112 
1 1 1   10    3    5 o   89.123   0.7028  7707.12  121.561  7837.37  174.143  7583.34  169.765   89.857   0.9984   88.389   0.9894 1.468193 1.405604 
1 1 1   10    3    6 o  104.870   0.8001 10672.74  162.853 10838.65  232.650 10513.33  228.037  105.669   1.1342  104.071   1.1288 1.597855 1.600174 
1 1 1   10    3    7 o  231.858   1.1681 52214.68  523.690 51906.64  774.220 52474.49  711.028  231.225   1.7249  232.491   1.5755 -1.266663 2.336120 
1 1 1   10    3    8 o  243.277   1.2029 57340.56  564.941 58547.73  848.528 56379.39  757.151  245.569   1.7800  240.985   1.6186 4.584122 2.405873 
1 1 1   10    3    9 o  155.216   1.0648 23399.96  320.209 23215.57  466.463 23564.29  440.352  154.636   1.5540  155.796   1.4561 -1.159714 2.129532 
1 1 1   10    3   10 o  201.977   1.1161 39614.22  436.320 39535.82  641.824 39681.59  594.940  201.789   1.6385  202.166   1.5160 -0.3770294 2.232269 
1 1 1   10    3   11 o   65.432   0.6768  4155.57   85.962  4116.87  120.664  4195.46  122.495   65.122   0.9545   65.741   0.9599 -0.6186523 1.353689 
1 1 1   10    3   12 o  101.841   0.7884 10068.21  155.847 10150.15  222.333  9989.05  218.518  102.248   1.1202  101.434   1.1098 0.8143845 1.576841 
1 1 1   10    3   13 o  289.471   1.2653 81391.08  710.964 81384.73  1005.80 81397.41  1005.11  289.460   1.7900  289.482   1.7887 -0.2270508E-01 2.530507 
1 1 1   10    3   14 o  151.698   1.0611 22349.93  312.448 22565.96  443.974 22137.95  439.793  152.424   1.5005  150.972   1.5007 1.452454 2.122160 
1 1 1   10    3   15 o   69.532   0.7016  4691.93   94.665  4840.08  135.561  4550.91  132.254   70.603   0.9891   68.461   0.9952 2.141754 1.403119 
1 1 1   10    3   16 o   37.827   0.7395  1388.21   54.252  1419.51   78.708  1359.88   74.884   38.233   1.0605   37.422   1.0309 0.8111572 1.478972 
1 1 1   10    3   17 o   79.602   0.7591  6154.56  117.263  6180.88  163.978  6127.01  167.757   79.777   1.0589   79.427   1.0880 0.3497467 1.518231 
1 1 1   10    3   18 o  155.742   1.3610 23589.40  411.390 23243.63  575.572 23950.54  588.222  154.576   1.9182  156.907   1.9312 -2.330536 2.721969 
1 1 1   10    3   19 o   87.794   0.8494  7484.23  144.724  7692.05  207.600  7287.73  201.861   88.979   1.2019   86.609   1.2007 2.369995 1.698886 
1 1 1   10    3   20 o   23.063   1.4890  486.394   64.500  393.501   79.930  659.798  109.207   20.102   2.0484   26.025   2.1617 -5.922840 2.978094 
1 1 1   10    3   21 o   26.144   1.1565  663.695   58.631  696.690   85.274  634.111   80.745   26.759   1.6417   25.529   1.6293 1.229567 2.312988 
1 1 1   10    3   22 o  100.217   0.9577  9761.35  186.250  9477.85  259.452 10062.77  267.528   98.717   1.3539  101.718   1.3549 -3.000374 1.915440 
1 1 1   10    3   23 o   86.600   1.0809  7336.32  170.496  7198.48  296.543  7404.38  208.382   85.943   1.7775   87.257   1.2303 -1.313690 2.161727 
1 1 1   10    3   24 o   60.507   0.7727  3562.93   90.708  3456.90  128.775  3667.34  127.792   59.610   1.1129   61.403   1.0721 -1.792778 1.545300 
1 1 1   10    3   25 o   37.359   0.9450  1363.01   68.383  1315.40   98.905  1406.62   94.652   36.726   1.3873   37.991   1.2834 -1.265240 1.889949 
1 1 1   10    3   26 o   25.812   1.2581  653.507   63.024  635.989   89.097  671.051   89.163   25.463   1.8026   26.162   1.7557 -0.6995583 2.516277 
1 1 1   10    3   27 o   30.188   1.0945  893.836   63.932  994.104   92.012  800.241   88.897   31.836   1.4889   28.540   1.6046 3.296452 2.188959 
1 1 1   10    3   28 o   30.694   1.1278  933.686   66.835  861.525   97.062  998.750   92.166   29.530   1.6932   31.858   1.4903 -2.328093 2.255694 
1 1 1   10    3   29 o   38.108   0.9678  1431.34   71.478  1524.60  101.117  1338.20  101.055   39.368   1.3232   36.848   1.4128 2.519493 1.935651 
1 1 1   10    3   30 o   7.1408   2.4005 -111.1002   80.248 -133.3655   95.822 -58.8104  146.846   5.7993   2.8029   8.4823   3.8977 -2.682978 4.800902 
1 1 1   10    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    4    0 o  280.404   1.5487 76404.81  838.754 75646.06  1247.13 77031.45  1133.37  279.128   2.3017  281.681   2.0728 -2.553284 3.097422 
1 1 1   10    4    1 o  202.615   1.1891 39894.62  464.970 40253.84  626.375 39453.73  693.937  203.634   1.5846  201.596   1.7733 2.038040 2.378106 
1 1 1   10    4    2 o  277.907   1.3762 74886.52  733.862 74373.24  965.597 75588.41  1129.17  276.786   1.7972  279.027   2.0847 -2.241608 2.752420 
1 1 1   10    4    3 o  337.738   1.5424 110744.70  1006.98 110689.80  1362.90 110810.60  1494.34  337.652   2.0794  337.825   2.2787 -0.1736145 3.084853 
1 1 1   10    4    4 o  493.281   1.9427 235661.59  1807.53 233611.00  2294.18 239017.80  2935.08  490.492   2.4095  496.070   3.0480 -5.577148 3.885351 
1 1 1   10    4    5 o   52.544   0.6374  2704.73   63.062  2573.81  101.165  2787.92   80.648   51.494   1.0121   53.594   0.7752 -2.099915 1.274844 
1 1 1   10    4    6 o  169.349   1.0096 27825.65  331.073 28042.70  486.334 27638.18  451.970  169.963   1.4741  168.734   1.3799 1.228485 2.019137 
1 1 1   10    4    7 o  130.334   0.9316 16486.32  235.662 16727.42  336.554 16254.39  330.093  131.269   1.3208  129.400   1.3141 1.869278 1.863165 
1 1 1   10    4    8 o  225.173   1.1573 49252.04  504.151 48873.06  742.834 49575.68  686.454  224.367   1.7056  225.979   1.5649 -1.611847 2.314686 
1 1 1   10    4    9 o  339.919   1.5489 112013.40  1008.43 113409.50  1563.24 111018.40  1319.75  341.715   2.3567  338.124   2.0107 3.591003 3.097880 
1 1 1   10    4   10 o   72.055   0.6791  5038.22   94.968  5123.64  135.934  4956.78  132.733   72.651   0.9639   71.459   0.9569 1.192749 1.358187 
1 1 1   10    4   11 o  307.400   1.3357 91809.05  792.906 91454.95  1181.95 92098.81  1069.19  306.850   1.9843  307.950   1.7886 -1.099457 2.671418 
1 1 1   10    4   12 o  107.870   0.8045 11291.63  168.413 11028.89  235.077 11568.69  241.393  106.581   1.1362  109.159   1.1392 -2.577003 1.608968 
1 1 1   10    4   13 o   57.069   0.6524  3155.97   72.054  3232.74  106.648  3091.50   97.733   57.706   0.9521   56.432   0.8922 1.273975 1.304769 
1 1 1   10    4   14 o  183.479   1.1659 32702.93  410.716 32705.47  629.096 32701.04  542.218  183.473   1.7664  183.485   1.5223 -0.1147461E-01 2.331848 
1 1 1   10    4   15 o  111.891   0.8663 12159.05  188.151 12159.45  266.431 12158.65  265.740  111.893   1.2266  111.889   1.2235 0.3479004E-02 1.732511 
1 1 1   10    4   16 o  111.465   0.9720 12069.22  210.307 11960.32  296.150 12180.01  298.703  110.958   1.3750  111.972   1.3742 -1.014465 1.943980 
1 1 1   10    4   17 o   22.619   1.1032  497.981   48.360  525.535   67.959  469.713   68.833   23.255   1.5054   21.983   1.6130 1.271715 2.206384 
1 1 1   10    4   18 o  153.568   1.3439 22938.86  400.611 22742.22  563.468 23139.85  569.682  152.903   1.8984  154.233   1.9028 -1.330109 2.687848 
1 1 1   10    4   19 o  145.288   1.2778 20533.74  360.363 20623.40  510.578 20444.74  508.687  145.604   1.8064  144.972   1.8076 0.6322632 2.555509 
1 1 1   10    4   20 o   72.754   0.7830  5142.58  110.577  5161.51  156.288  5123.60  156.471   72.888   1.1046   72.620   1.1100 0.2685242 1.565944 
1 1 1   10    4   21 o   41.510   0.9700  1658.55   76.270  1602.01   96.960  1750.30  123.522   40.599   1.2303   42.422   1.5000 -1.823055 1.940015 
1 1 1   10    4   22 f   74.705   0.8171  5421.60  118.454  5561.48  170.056  5289.76  165.094   75.640   1.1582   73.770   1.1529 1.870407 1.634169 
1 1 1   10    4   23 f   77.176   0.8295  5787.15  124.157  5890.22  179.964  5693.54  171.510   77.829   1.1912   76.523   1.1546 1.306129 1.658913 
1 1 1   10    4   24 o   30.635   1.5066  979.118   77.321  795.680  146.481  1049.97   91.037   28.442   2.6531   32.827   1.4286 -4.384703 3.013290 
1 1 1   10    4   25 o   21.987   1.4863  480.993   62.124  590.013   87.694  371.157   88.021   24.551   1.8400   19.423   2.3346 5.128628 2.972570 
1 1 1   10    4   26 o   33.440   1.0224  1091.99   66.326  1149.43   95.135  1037.66   92.518   34.298   1.4289   32.582   1.4628 1.715530 2.044885 
1 1 1   10    4   27 o   14.627   2.2211  227.068   61.192  193.704   88.899  257.109   84.357   13.504   3.3950   15.750   2.8647 -2.246303 4.442154 
1 1 1   10    4   28 o   57.766   0.8039  3261.82   89.943  3309.16  132.155  3220.98  122.761   58.142   1.1709   57.390   1.1019 0.7520523 1.607889 
1 1 1   10    4   29 o   26.182   1.3075  682.198   66.296  694.923   97.487  671.251   90.424   26.388   1.9031   25.975   1.7933 0.4133911 2.614955 
1 1 1   10    4   30 o   17.626   2.0832  331.640   66.819  482.755   98.869  204.588   90.656   21.734   2.3434   13.518   3.4448 8.216696 4.166354 
1 1 1   10    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    5    0 f  201.774   1.2276 39523.22  480.806 39595.35  679.304 39450.81  680.623  201.959   1.7328  201.590   1.7393 0.3690948 2.455109 
1 1 1   10    5    1 o  206.490   1.1989 41322.47  477.079 40828.94  635.711 41958.80  721.851  205.083   1.5969  207.897   1.7887 -2.813889 2.397774 
1 1 1   10    5    2 o  209.282   1.1969 42570.42  483.382 43007.57  651.085 42033.54  721.541  210.483   1.5935  208.081   1.7863 2.401764 2.393797 
1 1 1   10    5    3 o  129.429   0.9376 16276.05  235.299 16652.68  327.583 15874.63  338.197  130.978   1.2884  127.881   1.3624 3.097275 1.875134 
1 1 1   10    5    4 o  203.525   1.2134 40204.39  476.162 40137.15  637.245 40289.39  716.490  203.335   1.6145  203.715   1.8118 -0.3799286 2.426789 
1 1 1   10    5    5 o  501.495   1.9593 244186.80  1863.15 243961.00  2390.82 244536.00  2973.15  501.232   2.4572  501.757   3.0525 -0.5252991 3.918638 
1 1 1   10    5    6 o  180.884   1.0389 31732.66  363.666 32130.26  537.381 31396.71  493.960  181.928   1.5217  179.841   1.4149 2.086441 2.077863 
1 1 1   10    5    7 o  205.223   1.1104 40886.89  440.871 40894.23  650.590 40880.64  599.511  205.238   1.6330  205.208   1.5050 0.3015137E-01 2.220742 
1 1 1   10    5    8 o  393.265   1.4964 150139.00  1132.66 150421.50  1718.00 149921.80  1506.42  393.582   2.2487  392.949   1.9749 0.6331787 2.992771 
1 1 1   10    5    9 o  274.852   1.4128 73381.76  749.077 73137.53  1122.90 73577.59  1005.51  274.432   2.1079  275.271   1.8817 -0.8396301 2.825596 
1 1 1   10    5   10 o  174.678   1.0451 29616.01  353.459 29737.10  519.406 29511.56  482.378  175.009   1.5289  174.348   1.4253 0.6611328 2.090227 
1 1 1   10    5   11 o   42.659   0.7556  1750.75   60.304  1708.83   75.345  1825.47  100.590   41.956   0.9251   43.362   1.1950 -1.405876 1.511266 
1 1 1   10    5   12 o  163.996   1.1179 26137.68  355.247 25792.36  516.204 26448.38  489.638  162.963   1.6318  165.029   1.5284 -2.065872 2.235822 
1 1 1   10    5   13 o  139.100   1.0437 18779.83  276.245 18839.78  436.546 18739.79  356.759  139.278   1.6147  138.922   1.3229 0.3555756 2.087414 
1 1 1   10    5   14 o  116.916   0.9161 13275.03  207.907 13255.78  295.469 13293.92  292.602  116.832   1.3028  117.001   1.2883 -0.1686859 1.832240 
1 1 1   10    5   15 o  118.060   0.9565 13537.89  219.179 13487.83  307.555 13589.55  312.433  117.839   1.3445  118.281   1.3607 -0.4424057 1.912950 
1 1 1   10    5   16 o   84.935   0.7549  7005.35  124.455  6984.96  174.561  7026.42  177.489   84.810   1.0603   85.061   1.0749 -0.2506180 1.509877 
1 1 1   10    5   17 o  103.228   0.8703 10348.96  174.381 10180.68  244.494 10523.21  248.785  102.374   1.2303  104.082   1.2314 -1.707878 1.740657 
1 1 1   10    5   18 o  107.132   0.9828 11151.47  204.370 11019.35  286.804 11287.77  291.295  106.488   1.3875  107.777   1.3923 -1.288727 1.965609 
1 1 1   10    5   19 o  128.704   1.1458 16105.89  286.243 16242.10  406.741 15972.24  402.905  129.243   1.6212  128.165   1.6195 1.077896 2.291513 
1 1 1   10    5   20 f   39.245   0.8253  1497.19   62.841  1443.83   89.043  1550.13   88.699   38.547   1.1900   39.943   1.1440 -1.395561 1.650686 
1 1 1   10    5   21 o   73.958   0.7966  5314.62  114.351  5359.95  162.920  5270.61  160.538   74.269   1.1301   73.648   1.1229 0.6210022 1.593116 
1 1 1   10    5   22 o  107.910   1.2274 11263.34  242.164 11114.71  295.411 11567.85  422.831  106.891   1.4237  108.929   1.9997 -2.037857 2.454714 
1 1 1   10    5   23 o   58.556   1.0221  3363.60  109.894  3420.76  135.666  3254.50  187.411   59.312   1.1783   57.799   1.6704 1.513000 2.044141 
1 1 1   10    5   24 o   99.652   0.9570  9669.58  185.045  9773.71  266.168  9572.17  257.436  100.167   1.3689   99.137   1.3377 1.030113 1.913983 
1 1 1   10    5   25 o   30.259   1.4194  930.112   75.816  816.914  135.172  982.067   91.576   28.798   2.4180   31.720   1.4873 -2.922163 2.838810 
1 1 1   10    5   26 o   53.091   0.8109  2750.64   83.475  2662.96  119.629  2833.85  116.535   52.259   1.1793   53.923   1.1133 -1.664280 1.621776 
1 1 1   10    5   27 f   25.036   1.2897  611.910   62.340  702.821   93.444  538.995   83.686   26.699   1.8030   23.373   1.8445 3.326389 2.579324 
1 1 1   10    5   28 o   20.554   1.5164  415.444   59.637  458.846   94.209  386.421   77.039   21.403   2.2676   19.706   2.0140 1.696913 3.032797 
1 1 1   10    5   29 o   10.323   2.5580  105.785   63.115  121.813   94.412   92.835   84.865   10.846   3.7193   9.8004   3.5129 1.045462 5.116014 
1 1 1   10    5   30 o   17.661   2.0570  328.018   66.043  487.410   99.638  203.116   88.201   21.831   2.3512   13.492   3.3759 8.338575 4.114020 
1 1 1   10    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    6    0 o  421.434   1.8342 171775.91  1456.64 169667.70  1844.42 175270.41  2374.63  418.032   2.2729  424.835   2.8795 -6.803253 3.668435 
1 1 1   10    6    1 o   94.433   0.7255  8658.25  132.797  8701.29  183.269  8610.68  192.693   94.680   0.9972   94.186   1.0539 0.4946365 1.450900 
1 1 1   10    6    2 o   71.369   0.6145  4940.18   85.064  4852.31  117.625  5036.52  123.163   70.704   0.8570   72.034   0.8808 -1.329453 1.228935 
1 1 1   10    6    3 o  175.728   1.1120 29998.34  377.518 30195.33  510.494 29760.58  560.830  176.367   1.4911  175.089   1.6501 1.277527 2.224005 
1 1 1   10    6    4 f  286.754   1.4113 79494.06  775.030 77825.82  1011.28 81868.52  1206.49  283.131   1.8400  290.378   2.1404 -7.247101 2.822579 
1 1 1   10    6    5 o  311.539   1.3599 94231.75  822.359 94664.23  1160.65 93795.73  1165.35  312.257   1.9148  310.820   1.9314 1.436462 2.719726 
1 1 1   10    6    6 o  330.439   1.3149 106016.40  838.614 105939.80  1254.81 106078.20  1127.36  330.326   1.9569  330.552   1.7569 -0.2258911 2.629892 
1 1 1   10    6    7 o   98.134   0.7472  9347.57  142.281  9365.20  204.410  9331.00  198.166   98.224   1.0721   98.045   1.0412 0.1792221 1.494473 
1 1 1   10    6    8 o   62.895   0.6331  3836.85   77.267  3960.46  111.031  3720.79  107.593   63.876   0.8954   61.913   0.8952 1.962902 1.266204 
1 1 1   10    6    9 o  128.352   0.8971 15988.73  223.167 16067.41  325.225 15918.72  306.793  128.650   1.3023  128.055   1.2342 0.5952454 1.794219 
1 1 1   10    6   10 o  103.726   0.8446 10439.87  169.572 10509.85  249.912 10380.16  230.845  104.048   1.2373  103.405   1.1500 0.6423798 1.689260 
1 1 1   10    6   11 o   49.294   0.6071  2360.08   58.050  2401.57   81.018  2316.30   83.215   49.739   0.8391   48.848   0.8776 0.8912621 1.214193 
1 1 1   10    6   12 o  125.403   1.0132 15259.15  238.599 15317.04  390.879 15224.76  301.232  125.585   1.6034  125.221   1.2392 0.3633652 2.026477 
1 1 1   10    6   13 o   59.642   0.6548  3453.44   75.799  3383.64  107.005  3523.74  107.389   59.037   0.9337   60.247   0.9182 -1.210003 1.309567 
1 1 1   10    6   14 o   96.886   0.8074  9113.62  151.835  9010.68  213.204  9219.56  216.285   96.331   1.1402   97.441   1.1435 -1.110016 1.614765 
1 1 1   10    6   15 o   77.934   0.7267  5898.33  109.931  5976.73  155.092  5819.17  155.842   78.455   1.0184   77.413   1.0371 1.041656 1.453471 
1 1 1   10    6   16 o  153.117   1.0829 22782.33  321.825 23151.46  455.304 22413.76  454.956  154.357   1.5195  151.876   1.5432 2.481827 2.165724 
1 1 1   10    6   17 o   76.851   0.9039  5782.40  129.097  5580.17  214.464  5897.31  161.668   75.778   1.4580   77.924   1.0688 -2.145210 1.807741 
1 1 1   10    6   18 o  154.243   1.3491 23143.45  403.929 23215.40  572.619 23072.18  569.875  154.482   1.9095  154.005   1.9062 0.4766693 2.698155 
1 1 1   10    6   19 f   80.527   0.8150  6296.00  127.349  6425.21  183.333  6175.52  177.030   81.324   1.1613   79.730   1.1438 1.594711 1.630044 
1 1 1   10    6   20 o   35.020   0.8905  1194.42   60.408  1135.54   86.841  1249.63   84.084   34.180   1.3088   35.860   1.2079 -1.679771 1.781038 
1 1 1   10    6   21 o   37.111   0.9201  1336.51   66.209  1386.10   96.520  1292.44   90.992   37.760   1.3168   36.463   1.2855 1.296532 1.840270 
1 1 1   10    6   22 o   33.935   1.0161  1121.68   66.843  1084.28   96.033  1156.82   93.095   33.383   1.4820   34.486   1.3906 -1.103619 2.032256 
1 1 1   10    6   23 o   64.956   0.9352  4147.01  114.605  4296.79  147.275  3917.08  182.476   66.477   1.1413   63.434   1.4819 3.043327 1.870432 
1 1 1   10    6   24 o   54.354   0.8274  2877.06   87.177  2836.08  126.126  2914.55  120.630   53.979   1.2037   54.729   1.1355 -0.7502670 1.654746 
1 1 1   10    6   25 o   71.559   0.8296  4988.60  115.116  4971.12  166.624  5004.58  159.225   71.433   1.2016   71.685   1.1442 -0.2524414 1.659278 
1 1 1   10    6   26 o   41.147   0.9128  1648.36   71.275  1672.28  113.821  1632.94   91.417   41.368   1.4174   40.926   1.1507 0.4423904 1.825695 
1 1 1   10    6   27 o   25.952   1.2634  656.232   63.028  718.798   97.625  611.513   82.534   26.983   1.8638   24.922   1.7060 2.060884 2.526733 
1 1 1   10    6   28 o   26.684   1.2759  719.301   64.651  609.034   96.919  807.704   86.779   24.738   2.0183   28.631   1.5614 -3.893152 2.551763 
1 1 1   10    6   29 f   22.638   1.5116  513.308   66.282  550.545   97.703  481.559   90.217   23.390   2.1519   21.886   2.1236 1.504305 3.023243 
1 1 1   10    6   30 o   19.538   1.7968  396.152   67.434  334.177   95.402  458.032   95.329   17.905   2.7449   21.171   2.3196 -3.266531 3.593693 
1 1 1   10    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    7    0 o  216.081   1.2259 45282.38  509.932 44987.05  677.800 45667.54  774.054  215.273   1.6220  216.889   1.8385 -1.616714 2.451732 
1 1 1   10    7    1 o   79.344   0.6685  6115.45  102.842  6226.18  142.842  5996.28  148.186   80.090   0.9188   78.598   0.9713 1.492813 1.336972 
1 1 1   10    7    2 o  421.720   1.8461 172422.50  1471.89 171479.59  1876.88 173928.80  2372.20  420.248   2.3007  423.193   2.8877 -2.944153 3.692147 
1 1 1   10    7    3 o  362.325   1.6660 127254.10  1150.13 126345.00  1487.77 128604.40  1813.13  360.734   2.1246  363.916   2.5666 -3.182526 3.331907 
1 1 1   10    7    4 o  252.652   1.2512 61975.29  613.598 62438.27  864.473 61505.19  871.081  253.604   1.7560  251.701   1.7828 1.902985 2.502418 
1 1 1   10    7    5 o  130.992   0.9064 16656.19  230.480 16777.83  326.662 16535.61  325.238  131.469   1.2800  130.516   1.2837 0.9524994 1.812832 
1 1 1   10    7    6 o  285.310   1.3245 79027.70  733.550 79796.95  1041.19 78269.56  1033.64  286.688   1.8709  283.931   1.8754 2.757172 2.649045 
1 1 1   10    7    7 o  224.081   1.1512 48762.81  498.960 48571.13  736.851 48925.13  678.079  223.672   1.6971  224.490   1.5560 -0.8185730 2.302457 
1 1 1   10    7    8 o  203.056   1.1098 40041.70  436.094 39859.68  641.545 40198.05  594.588  202.625   1.6311  203.487   1.5053 -0.8621674 2.219501 
1 1 1   10    7    9 o  170.367   1.1234 28186.56  370.721 28086.04  541.964 28274.96  508.219  170.079   1.6415  170.654   1.5342 -0.5748291 2.246842 
1 1 1   10    7   10 o  142.598   0.9549 19729.09  263.919 19956.93  385.143 19527.41  362.372  143.373   1.3839  141.823   1.3163 1.549271 1.909868 
1 1 1   10    7   11 o   76.237   0.8026  5608.75  113.563  5757.60  192.223  5528.94  140.753   77.007   1.2859   75.468   0.9608 1.538849 1.605215 
1 1 1   10    7   12 o  104.106   0.8475 10524.30  171.214 10463.83  244.739 10582.27  239.608  103.813   1.2145  104.400   1.1823 -0.5868607 1.694946 
1 1 1   10    7   13 o   52.780   0.6387  2701.86   65.412  2805.85   94.140  2604.78   90.955   53.761   0.9021   51.799   0.9046 1.962093 1.277481 
1 1 1   10    7   14 o   73.779   0.8157  5261.08  112.308  5197.49  140.240  5374.77  187.525   73.165   0.9874   74.393   1.2986 -1.227890 1.631338 
1 1 1   10    7   15 f  208.976   1.2418 42431.31  503.628 41938.79  703.648 42948.64  721.150  207.734   1.7449  210.217   1.7672 -2.482651 2.483530 
1 1 1   10    7   16 o   88.041   0.8041  7527.94  137.415  7517.43  193.594  7538.62  195.083   87.979   1.1336   88.103   1.1407 -0.1235809 1.608141 
1 1 1   10    7   17 o  180.969   1.4154 31860.20  497.220 31890.36  706.209 31830.55  700.180  181.053   2.0094  180.886   1.9941 0.1666412 2.830886 
1 1 1   10    7   18 o   50.716   0.8777  2499.08   82.878  2499.52  103.481  2498.31  138.407   50.729   1.0508   50.703   1.4062 0.2618408E-01 1.755493 
1 1 1   10    7   19 o   20.588   1.3609  414.789   54.050  385.660   79.190  440.194   73.954   19.904   2.0496   21.272   1.7910 -1.368216 2.721837 
1 1 1   10    7   20 o   23.270   1.4174  502.871   62.328  424.650   77.983  641.220  103.710   20.884   1.9236   25.656   2.0824 -4.771906 2.834870 
1 1 1   10    7   21 o   99.634   0.9454  9650.16  182.820  9718.78  260.995  9584.05  256.166   99.981   1.3448   99.287   1.3291 0.6935043 1.890761 
1 1 1   10    7   22 o   58.815   0.7818  3363.15   89.227  3298.59  126.948  3426.18  125.437   58.256   1.1226   59.375   1.0883 -1.118568 1.563545 
1 1 1   10    7   23 o   36.781   0.9772  1319.44   69.449  1282.98  102.476  1350.41   94.446   36.305   1.4541   37.257   1.3059 -0.9522972 1.954422 
1 1 1   10    7   24 o   75.438   0.9999  5567.03  141.157  5627.50  177.976  5464.49  231.762   76.034   1.2058   74.842   1.5953 1.191269 1.999726 
1 1 1   10    7   25 o   66.782   0.8160  4348.08  105.518  4282.10  154.154  4406.25  144.740   66.296   1.1978   67.269   1.1084 -0.9724503 1.632015 
1 1 1   10    7   26 o   25.851   1.2912  666.621   63.335  597.872   97.496  716.815   83.306   24.643   2.0381   27.059   1.5860 -2.415598 2.582452 
1 1 1   10    7   27 o   33.396   1.0823  1088.41   69.580  1146.70  106.544  1045.05   91.879   34.151   1.6071   32.641   1.4500 1.509922 2.164616 
1 1 1   10    7   28 o   29.166   1.1806  838.133   66.641  933.734   96.561  751.188   92.086   30.766   1.6168   27.566   1.7209 3.200251 2.361274 
1 1 1   10    7   29 o   10.383   2.5696  107.975   65.171   75.191   95.578  136.462   89.094   9.5025   3.6637   11.264   3.6041 -1.761559 5.139252 
1 1 1   10    7   30 o   23.926   1.8155  576.939   83.238  486.820  108.207  707.557  130.272   21.695   2.5694   26.158   2.5656 -4.462467 3.630988 
1 1 1   10    8    0 o  437.248   1.8596 185146.41  1534.74 183523.00  1950.05 187788.30  2487.72  434.760   2.3106  439.736   2.9144 -4.976318 3.719219 
1 1 1   10    8    1 o  116.387   0.8574 13132.59  193.178 12938.29  262.710 13361.33  285.045  115.452   1.1722  117.323   1.2516 -1.871498 1.714820 
1 1 1   10    8    2 o  165.870   1.0603 26702.79  339.745 26655.56  458.342 26760.40  506.152  165.708   1.4249  166.031   1.5705 -0.3228455 2.120530 
1 1 1   10    8    3 o   50.962   0.5192  2522.09   51.329  2618.42   72.489  2425.22   72.692   51.939   0.7190   49.986   0.7492 1.952946 1.038349 
1 1 1   10    8    4 o   73.796   0.7428  5265.49  101.674  5217.02  126.076  5355.67  171.947   73.313   0.8859   74.279   1.1925 -0.9659271 1.485574 
1 1 1   10    8    5 o  226.924   1.1902 49982.67  524.224 49475.66  734.195 50509.97  748.747  225.751   1.6754  228.098   1.6910 -2.347015 2.380441 
1 1 1   10    8    6 o  244.051   1.2468 57824.72  590.622 57769.47  830.813 57881.18  839.790  243.933   1.7546  244.169   1.7718 -0.2350769 2.493542 
1 1 1   10    8    7 o  225.571   1.1504 49379.30  501.804 49609.08  743.727 49187.29  679.880  226.050   1.6949  225.092   1.5560 0.9582214 2.300828 
1 1 1   10    8    8 o   80.132   0.6881  6231.27  107.013  6311.30  153.259  6155.13  149.490   80.634   0.9791   79.631   0.9671 1.003769 1.376213 
1 1 1   10    8    9 o   68.777   0.6429  4591.17   85.825  4633.21  122.173  4550.21  120.593   69.088   0.9110   68.466   0.9074 0.6215744 1.285767 
1 1 1   10    8   10 o   60.706   0.7378  3528.11   83.281  3746.54  141.464  3412.25  103.027   62.123   1.1731   59.289   0.8952 2.833553 1.475627 
1 1 1   10    8   11 o  100.927   0.7835  9884.12  153.415 10042.52  221.249  9737.43  212.915  101.705   1.1207  100.149   1.0952 1.556213 1.566950 
1 1 1   10    8   12 o   98.218   0.7947  9367.23  151.497  9170.39  214.437  9563.40  214.063   97.187   1.1366   99.249   1.1111 -2.061394 1.589496 
1 1 1   10    8   13 o  147.240   1.2396 21016.42  343.814 20883.52  435.728 21235.67  559.664  146.639   1.5307  147.841   1.9501 -1.202560 2.479155 
1 1 1   10    8   14 o   97.244   0.8050  9183.13  151.763  9173.12  220.167  9192.19  209.481   97.192   1.1670   97.296   1.1091 -0.1033096 1.609962 
1 1 1   10    8   15 o   31.530   0.8335  964.019   50.907  1054.90   73.451  880.012   70.618   32.958   1.1481   30.102   1.2085 2.856678 1.666923 
1 1 1   10    8   16 o  150.657   1.0780 22049.82  315.219 21564.06  442.153 22551.88  449.511  148.970   1.5290  152.345   1.5200 -3.374878 2.155991 
1 1 1   10    8   17 o   57.185   0.7180  3176.52   79.630  3161.67  114.997  3190.20  110.373   57.056   1.0383   57.315   0.9920 -0.2584457 1.436040 
1 1 1   10    8   18 o   28.361   1.0054  778.918   55.189  867.758   80.486  700.076   75.822   29.882   1.3875   26.839   1.4553 3.043665 2.010781 
1 1 1   10    8   19 o   92.024   0.8788  8228.51  156.946  8226.32  224.252  8230.62  219.728   92.011   1.2555   92.037   1.2299 -0.2613831E-01 1.757541 
1 1 1   10    8   20 o   82.866   0.8316  6673.39  133.765  6606.26  189.699  6739.79  188.651   82.451   1.1852   83.282   1.1669 -0.8306732 1.663277 
1 1 1   10    8   21 o   54.516   0.7847  2887.73   83.023  2796.25  116.744  2981.34  118.093   53.642   1.1212   55.390   1.0983 -1.748287 1.569482 
1 1 1   10    8   22 o   40.836   0.8719  1622.31   69.071  1575.88   98.420  1667.36   96.960   40.258   1.2594   41.413   1.2061 -1.155079 1.743781 
1 1 1   10    8   23 o   62.155   0.8011  3758.07   96.598  3698.07  138.415  3815.04  134.873   61.668   1.1563   62.641   1.1092 -0.9724274 1.602260 
1 1 1   10    8   24 o   26.982   1.2771  711.279   66.650  712.367   98.549  710.362   90.481   26.994   1.8807   26.971   1.7282 0.2286911E-01 2.554190 
1 1 1   10    8   25 o   49.973   0.9326  2419.58   89.069  2349.29  115.450  2522.94  139.993   49.101   1.2113   50.846   1.4184 -1.744926 1.865183 
1 1 1   10    8   26 o   19.298   1.6792  369.881   62.055  360.561   95.220  376.761   81.816   19.053   2.5745   19.543   2.1566 -0.4897881 3.358433 
1 1 1   10    8   27 o   27.546   1.2964  761.144   68.134  656.459  101.329  847.531   92.049   25.737   2.0282   29.355   1.6154 -3.617582 2.592885 
1 1 1   10    8   28 o   11.724   2.6151  141.650   66.254  176.006  101.880  116.473   87.214   12.751   3.8175   10.697   3.5752 2.054440 5.230225 
1 1 1   10    8   29 o   7.4121   2.2874 -13.6923   64.934 -80.8414   99.763   35.665   85.532   6.6287   3.1026   8.1955   3.3620 -1.566789 4.574811 
1 1 1   10    8   30 o   9.9115   2.6399   63.503   77.472 -38.2461  107.146  174.975  112.148   7.4470   3.3867   12.376   4.0506 -4.928884 5.279869 
1 1 1   10    9    0 f  508.142   1.9464 250327.09  1868.46 248936.30  2379.50 252563.80  3017.52  506.334   2.4209  509.949   3.0483 -3.614594 3.892704 
1 1 1   10    9    1 o  209.617   1.2070 42670.06  487.601 42773.58  652.008 42538.70  734.478  209.908   1.6001  209.326   1.8076 0.5825195 2.414062 
1 1 1   10    9    2 o  123.823   0.8925 14884.65  214.083 14908.70  293.538 14857.33  312.908  123.930   1.2202  123.716   1.3029 0.2146835 1.785073 
1 1 1   10    9    3 o  122.722   0.8647 14619.28  205.976 14604.22  290.134 14634.58  292.468  122.658   1.2185  122.785   1.2271 -0.1273041 1.729305 
1 1 1   10    9    4 o  142.466   0.9569 19701.42  264.606 19618.79  371.667 19786.35  376.804  142.163   1.3468  142.769   1.3596 -0.6056213 1.913745 
1 1 1   10    9    5 o  246.648   1.2394 59053.28  593.361 58543.39  832.039 59580.97  846.424  245.565   1.7455  247.732   1.7601 -2.166031 2.478843 
1 1 1   10    9    6 o  251.779   1.2604 61540.13  615.983 61100.41  864.167 61994.33  878.266  250.865   1.7746  252.693   1.7905 -1.827774 2.520890 
1 1 1   10    9    7 o  162.623   1.0047 25689.86  316.525 25398.78  461.089 25949.29  435.292  161.750   1.4685  163.496   1.3715 -1.745621 2.009381 
1 1 1   10    9    8 o  257.840   1.2256 64659.55  611.404 63032.66  895.326 66081.16  836.937  254.792   1.8102  260.888   1.6526 -6.096603 2.451131 
1 1 1   10    9    9 o  287.947   1.6440 80582.55  913.589 80069.24  1365.45 80998.57  1229.27  287.105   2.4500  288.789   2.1928 -1.684509 3.288020 
1 1 1   10    9   10 o  125.758   0.9002 15358.00  219.601 15247.10  315.985 15461.61  305.411  125.318   1.2989  126.198   1.2467 -0.8798752 1.800424 
1 1 1   10    9   11 o   45.728   0.6251  2034.02   55.325  2092.63   76.039  1968.10   80.646   46.429   0.8437   45.026   0.9227 1.403282 1.250256 
1 1 1   10    9   12 o  218.301   1.6674 46089.48  662.479 45673.72  805.295 46959.94  1165.22  216.834   1.9132  219.768   2.7314 -2.933411 3.334772 
1 1 1   10    9   13 f  101.344   0.8364  9970.26  164.459 10039.93  236.577  9905.10  228.779  101.686   1.1985  101.002   1.1669 0.6840668 1.672733 
1 1 1   10    9   14 o   44.565   0.6622  1932.76   56.971  1881.97   84.517  1975.06   77.126   44.026   0.9889   45.103   0.8809 -1.077461 1.324392 
1 1 1   10    9   15 o   61.320   0.6857  3650.76   81.579  3660.61  117.396  3641.56  113.446   61.400   0.9850   61.241   0.9543 0.1591682 1.371436 
1 1 1   10    9   16 o  135.267   0.9982 17774.52  262.064 17676.38  367.087 17876.51  374.245  134.887   1.4020  135.647   1.4213 -0.7596436 1.996379 
1 1 1   10    9   17 o  121.310   1.0494 14302.76  247.107 14076.39  349.191 14529.84  349.734  120.347   1.4947  122.273   1.4735 -1.925346 2.098892 
1 1 1   10    9   18 o   20.411   1.3655  409.723   53.505  363.051   78.656  449.918   72.995   19.313   2.0980   21.509   1.7482 -2.195995 2.730962 
1 1 1   10    9   19 o   46.161   0.7584  2075.12   67.551  2018.63  100.438  2121.79   91.279   45.583   1.1351   46.738   1.0061 -1.154942 1.516777 
1 1 1   10    9   20 o   47.334   0.7798  2169.35   71.513  2307.85  105.112  2049.99   97.576   48.736   1.1111   45.933   1.0943 2.802475 1.559502 
1 1 1   10    9   21 o   62.782   0.7854  3830.31   95.699  3839.46  136.525  3821.47  134.183   62.855   1.1189   62.709   1.1023 0.1462059 1.570702 
1 1 1   10    9   22 f   82.403   0.8556  6600.57  136.761  6629.26  197.374  6574.08  189.676   82.573   1.2314   82.233   1.1882 0.3394318 1.711180 
1 1 1   10    9   23 o   44.454   0.8949  1930.81   76.779  1829.65  112.995  2017.59  104.649   43.361   1.3424   45.547   1.1836 -2.185837 1.789716 
1 1 1   10    9   24 o   24.535   1.8548  634.877   80.086  715.721   98.855  480.486  136.611   27.055   1.8823   22.015   3.1966 5.039751 3.709639 
1 1 1   10    9   25 o   44.171   0.8749  1896.59   74.727  1958.06  111.375  1846.26  100.779   44.813   1.2803   43.528   1.1927 1.285069 1.749790 
1 1 1   10    9   26 o   37.872   1.1132  1400.91   80.576  1384.09  104.858  1425.15  125.912   37.624   1.4357   38.121   1.7015 -0.4971962 2.226330 
1 1 1   10    9   27 o   32.688   1.0972  1043.10   69.209  1113.12  104.893  989.119   92.101   33.639   1.6064   31.738   1.4949 1.900633 2.194363 
1 1 1   10    9   28 o   51.318   0.8664  2587.60   85.767  2510.48  127.547  2651.26  115.876   50.588   1.2989   52.048   1.1469 -1.459827 1.732746 
1 1 1   10    9   29 o   14.277   2.4007  228.125   64.979  200.382  102.725  246.629   83.896   13.368   3.7865   15.186   2.9523 -1.818124 4.801397 
1 1 1   10    9   30 o   19.306   2.5713  452.572   88.269  292.605  143.135  550.739  112.128   15.521   4.4931   23.091   2.5016 -7.569323 5.142560 
1 1 1   10   10    0 o  190.063   1.1571 35037.16  424.157 34797.72  567.476 35340.26  638.481  189.330   1.5441  190.796   1.7239 -1.466141 2.314291 
1 1 1   10   10    1 o  112.205   0.8442 12228.19  183.659 12384.68  254.656 12058.57  265.126  112.954   1.1614  111.457   1.2254 1.497734 1.688347 
1 1 1   10   10    2 o  199.699   1.1874 38715.98  457.249 38722.74  612.505 38707.46  687.221  199.721   1.5799  199.676   1.7730 0.4443359E-01 2.374752 
1 1 1   10   10    3 o  226.734   1.1836 49891.29  520.836 49150.96  727.459 50669.92  746.039  225.010   1.6655  228.460   1.6822 -3.449875 2.367231 
1 1 1   10   10    4 o  292.698   1.3274 83175.88  754.219 83605.11  1067.27 82747.70  1065.98  293.453   1.8736  291.944   1.8810 1.508972 2.654883 
1 1 1   10   10    5 o  240.235   1.2442 56022.87  580.140 55559.37  813.146 56503.39  827.938  239.224   1.7511  241.247   1.7680 -2.023193 2.488341 
1 1 1   10   10    6 o  241.166   1.2435 56468.78  582.099 56864.66  822.274 56071.08  824.155  242.014   1.7503  240.318   1.7667 1.695328 2.486902 
1 1 1   10   10    7 o  312.816   1.3864 94986.36  841.728 93883.43  1176.48 96143.00  1204.79  310.957   1.9490  314.675   1.9723 -3.718445 2.772886 
1 1 1   10   10    8 o   81.013   0.8215  6368.29  123.705  6380.77  207.492  6361.40  154.084   81.072   1.3184   80.953   0.9805 0.1193390 1.643085 
1 1 1   10   10    9 o  247.513   1.3589 59523.88  649.593 59162.60  966.979 59820.99  876.934  246.822   2.0182  248.204   1.8201 -1.382690 2.717707 
1 1 1   10   10   10 o  226.403   1.3216 49856.38  578.964 48770.41  848.287 50803.36  792.148  224.085   1.9501  228.720   1.7842 -4.635437 2.643162 
1 1 1   10   10   11 o  175.938   1.2403 30000.21  421.257 29468.30  564.547 30668.45  632.768  174.188   1.6696  177.688   1.8345 -3.499710 2.480536 
1 1 1   10   10   12 o  161.719   1.0347 25410.05  324.400 25110.02  469.154 25684.92  449.047  160.802   1.5030  162.637   1.4224 -1.834915 2.069329 
1 1 1   10   10   13 o  113.844   0.8867 12584.33  195.939 12835.27  278.226 12337.43  275.985  114.970   1.2467  112.718   1.2613 2.252319 1.773441 
1 1 1   10   10   14 o   45.217   0.6621  1990.99   57.711  1931.85   86.139  2039.15   77.738   44.605   0.9948   45.829   0.8738 -1.223991 1.324117 
1 1 1   10   10   15 f  103.276   0.8749 10359.22  175.401 10331.06  247.818 10387.48  248.291  103.135   1.2378  103.416   1.2368 -0.2812500 1.749842 
1 1 1   10   10   16 o  162.950   1.2457 25832.69  393.006 25496.09  574.949 26127.88  538.434  161.943   1.8289  163.957   1.6918 -2.013626 2.491405 
1 1 1   10   10   17 o   86.397   0.8217  7246.25  137.747  7408.00  198.255  7095.29  191.525   87.328   1.1695   85.466   1.1544 1.862122 1.643315 
1 1 1   10   10   18 o   96.206   0.9036  8993.26  168.734  8930.68  239.266  9055.17  237.990   95.872   1.2857   96.539   1.2700 -0.6671143 1.807127 
1 1 1   10   10   19 o   40.023   0.8210  1566.37   63.273  1459.55   93.659  1656.05   85.817   38.756   1.2449   41.289   1.0707 -2.532711 1.642033 
1 1 1   10   10   20 o   21.492   1.3721  446.137   56.951  514.068   84.635  389.925   76.989   22.976   1.8976   20.007   1.9823 2.968678 2.744184 
1 1 1   10   10   21 o   91.152   0.8969  8077.44  158.664  8111.56  226.894  8044.78  221.957   91.339   1.2797   90.965   1.2570 0.3739624 1.793762 
1 1 1   10   10   22 o   39.558   0.9126  1514.68   69.894  1621.24  103.552  1425.51   94.726   40.829   1.3065   38.287   1.2745 2.542042 1.825239 
1 1 1   10   10   23 o   41.906   0.9162  1717.26   74.139  1596.36  107.996  1825.03  101.961   40.498   1.3738   43.315   1.2126 -2.817017 1.832403 
1 1 1   10   10   24 o   56.344   0.8086  3093.10   88.157  3047.88  129.494  3132.16  120.353   55.953   1.1922   56.735   1.0928 -0.7820511 1.617294 
1 1 1   10   10   25 o   31.000   1.1226  939.429   67.364  939.895   99.057  939.027   91.880   30.999   1.6462   31.001   1.5268 -0.2355576E-02 2.245208 
1 1 1   10   10   26 o   32.506   1.1057  1037.73   69.517  994.109  101.386  1076.44   95.501   31.845   1.6401   33.167   1.4833 -1.322327 2.211369 
1 1 1   10   10   27 o   37.884   1.1011  1395.81   80.052  1315.38  104.405  1510.55  124.702   36.601   1.4695   39.167   1.6402 -2.566174 2.202138 
1 1 1   10   10   28 o   30.321   1.1343  912.592   66.103  862.775   99.078  952.556   88.742   29.531   1.7284   31.111   1.4694 -1.580322 2.268585 
1 1 1   10   10   29 o   13.795   2.5036  201.771   67.649  282.702  106.567  147.143   87.553   15.991   3.5277   11.598   3.5535 4.392815 5.007198 
1 1 1   10   10   30 o   11.565   3.0080  128.458   90.027  218.004  141.108   66.988  116.913   13.497   4.5474   9.6336   3.9388 3.863307 6.016086 
1 1 1   10   11    0 o  175.488   1.0931 29913.94  370.472 30082.31  500.188 29709.32  551.401  176.036   1.4637  174.939   1.6237 1.098022 2.186113 
1 1 1   10   11    1 o  131.220   0.9332 16714.62  236.929 16716.79  322.267 16712.05  349.525  131.230   1.2651  131.210   1.3723 0.2005005E-01 1.866449 
1 1 1   10   11    2 o   98.053   0.7391  9329.87  140.666  9174.08  196.908  9492.23  201.018   97.218   1.0434   98.889   1.0472 -1.671341 1.478272 
1 1 1   10   11    3 o  218.333   1.1734 46260.82  497.207 45572.68  693.873 46987.05  712.823  216.665   1.6498  220.000   1.6691 -3.335892 2.346874 
1 1 1   10   11    4 o  162.452   1.0289 25618.60  324.417 26125.51  460.029 25117.10  457.570  164.051   1.4446  160.853   1.4654 3.197617 2.057736 
1 1 1   10   11    5 o  253.961   1.2644 62606.89  623.247 61900.01  873.774 63339.01  889.239  252.502   1.7827  255.420   1.7935 -2.917664 2.528730 
1 1 1   10   11    6 o  137.859   0.9612 18442.09  257.161 18149.93  358.680 18751.13  368.895  136.736   1.3513  138.982   1.3674 -2.245880 1.922428 
1 1 1   10   11    7 o  230.228   1.3128 51488.29  583.796 51210.83  868.762 51716.75  788.312  229.658   1.9487  230.798   1.7595 -1.139572 2.625564 
1 1 1   10   11    8 o  126.364   0.9134 15511.60  223.232 15378.99  329.336 15624.32  303.624  125.862   1.3480  126.865   1.2329 -1.002342 1.826763 
1 1 1   10   11    9 o  234.462   1.3922 53385.62  633.594 53387.97  892.609 53383.22  899.504  234.468   1.9612  234.456   1.9764 0.1145935E-01 2.784302 
1 1 1   10   11   10 o  171.384   1.1417 28540.00  378.717 28751.41  517.151 28295.51  556.147  172.073   1.5482  170.696   1.6784 1.376633 2.283457 
1 1 1   10   11   11 o  121.229   0.8728 14267.61  205.258 14314.99  296.017 14223.74  284.860  121.422   1.2559  121.036   1.2124 0.3860931 1.745638 
1 1 1   10   11   12 o   45.116   0.7751  1955.22   64.004  2038.39  111.950  1914.83   78.011   45.819   1.2587   44.413   0.9049 1.406315 1.550180 
1 1 1   10   11   13 o  116.091   0.8935 13081.30  200.925 13176.46  294.316 12998.24  274.971  116.484   1.3016  115.697   1.2243 0.7869110 1.786947 
1 1 1   10   11   14 o   90.191   0.7797  7900.35  136.463  7842.71  194.844  7955.84  191.185   89.868   1.1169   90.515   1.0881 -0.6470566 1.559305 
1 1 1   10   11   15 o  127.287   1.0304 15742.49  254.232 15706.94  369.193 15774.55  350.604  127.147   1.4958  127.427   1.4174 -0.2800598 2.060709 
1 1 1   10   11   16 o   75.784   0.7336  5575.21  107.897  5674.25  154.680  5481.34  150.583   76.440   1.0424   75.129   1.0325 1.310242 1.467237 
1 1 1   10   11   17 o   53.469   0.8420  2799.68   83.894  2859.95  105.452  2695.77  138.468   54.266   1.0011   52.672   1.3543 1.593933 1.684087 
1 1 1   10   11   18 o   45.895   0.7478  2043.81   66.471  2075.85   97.646  2016.15   90.742   46.229   1.0881   45.561   1.0260 0.6675415 1.495561 
1 1 1   10   11   19 o   79.071   0.8068  6069.32  123.720  6182.76  179.521  5966.70  170.742   79.773   1.1593   78.369   1.1224 1.403748 1.613587 
1 1 1   10   11   20 o   29.864   1.0448  864.173   60.393  907.497   89.629  828.147   81.733   30.545   1.5116   29.182   1.4428 1.363184 2.089672 
1 1 1   10   11   21 o   30.901   1.0768  927.433   64.484  1007.06   93.223  854.385   89.291   32.172   1.4927   29.630   1.5524 2.541798 2.153673 
1 1 1   10   11   22 o   85.614   0.8708  7127.09  144.663  7132.44  207.352  7122.02  201.925   85.643   1.2472   85.585   1.2154 0.5850220E-01 1.741510 
1 1 1   10   11   23 o   53.447   0.8237  2778.28   85.233  2780.13  125.132  2776.67  116.416   53.459   1.2058   53.434   1.1224 0.2518845E-01 1.647321 
1 1 1   10   11   24 o   59.188   0.8052  3414.28   92.271  3343.43  134.682  3476.95  126.668   58.602   1.1839   59.775   1.0917 -1.172375 1.610411 
1 1 1   10   11   25 o   14.727   2.2281  220.725   63.376  291.972   91.960  156.275   87.463   17.152   2.7619   12.302   3.4972 4.850023 4.456265 
1 1 1   10   11   26 o   46.699   0.8609  2130.23   77.869  2105.89  113.663  2151.76  106.894   46.438   1.2609   46.960   1.1726 -0.5223618 1.721890 
1 1 1   10   11   27 o   12.439   2.3831  150.154   62.289  258.225   97.387   75.335   81.031   15.580   3.3216   9.2978   3.4182 6.281830 4.766275 
1 1 1   10   11   28 o   29.277   1.2288  842.508   69.293  895.984  105.965  802.559   91.588   30.056   1.8162   28.497   1.6557 1.558437 2.457619 
1 1 1   10   11   29 o   20.651   1.7835  445.211   69.846  370.473  103.842  506.961   94.389   18.897   2.8309   22.405   2.1702 -3.508375 3.567059 
1 1 1   10   11   30 o   13.121   3.0359  205.504   91.477  151.112  138.835  247.235  121.606   11.819   4.4492   14.423   4.1318 -2.603851 6.071816 
1 1 1   10   12    0 o  249.214   1.3327 60224.68  637.580 59813.84  839.934 60783.28  979.395  248.217   1.7432  250.211   2.0164 -1.993439 2.665485 
1 1 1   10   12    1 o  191.649   1.1581 35652.98  428.421 35621.99  575.922 35691.38  641.056  191.558   1.5488  191.740   1.7223 -0.1822510 2.316299 
1 1 1   10   12    2 o  117.497   0.8458 13398.85  192.862 13303.21  269.448 13499.32  276.172  117.067   1.1857  117.927   1.2064 -0.8594894 1.691550 
1 1 1   10   12    3 o  176.365   1.0661 30195.07  364.983 30175.46  515.300 30214.81  517.032  176.307   1.5057  176.422   1.5097 -0.1147919 2.132199 
1 1 1   10   12    4 o   94.036   0.7417  8583.55  135.394  8598.77  191.285  8568.26  191.667   94.120   1.0470   93.953   1.0509 0.1670990 1.483445 
1 1 1   10   12    5 o  186.378   1.0947 33713.49  395.990 33196.88  554.038 34253.00  566.187  184.919   1.5434  187.837   1.5528 -2.918213 2.189383 
1 1 1   10   12    6 o  175.491   1.1856 29889.34  399.240 29962.42  613.282 29835.59  525.947  175.673   1.7984  175.308   1.5455 0.3653259 2.371271 
1 1 1   10   12    7 o  148.961   1.0306 21560.33  297.630 21105.52  428.956 21982.55  413.305  147.444   1.4987  150.479   1.4149 -3.034302 2.061102 
1 1 1   10   12    8 o  190.955   1.0996 35366.82  406.378 35854.68  600.069 34953.52  552.308  192.168   1.6086  189.742   1.4995 2.426117 2.199145 
1 1 1   10   12    9 o  220.457   1.3718 47177.11  586.667 46633.29  812.704 47768.83  847.750  219.133   1.9106  221.781   1.9692 -2.648026 2.743681 
1 1 1   10   12   10 o  145.442   0.9460 20536.78  266.829 20588.66  386.169 20489.39  369.114  145.617   1.3662  145.268   1.3090 0.3491516 1.892026 
1 1 1   10   12   11 o  109.564   0.8844 11650.58  188.050 11987.59  268.988 11328.41  262.998  111.114   1.2471  108.015   1.2543 3.098404 1.768764 
1 1 1   10   12   12 f   26.123   0.8854  661.892   44.869  694.875   64.558  631.071   62.405   26.752   1.2432   25.494   1.2610 1.257904 1.770764 
1 1 1   10   12   13 o   43.664   0.6525  1851.18   55.198  1848.32   80.537  1853.71   75.803   43.632   0.9509   43.696   0.8937 -0.6426239E-01 1.304914 
1 1 1   10   12   14 o  100.613   0.8465  9835.55  165.233  9668.35  236.358  9995.37  231.082   99.775   1.2203  101.451   1.1734 -1.675766 1.692954 
1 1 1   10   12   15 o  104.492   0.8443 10605.95  171.179 10561.21  245.715 10648.13  238.607  104.277   1.2139  104.707   1.1739 -0.4305878 1.688680 
1 1 1   10   12   16 o   88.110   0.7971  7541.52  136.293  7460.43  194.408  7619.90  191.128   87.643   1.1427   88.576   1.1116 -0.9333801 1.594169 
1 1 1   10   12   17 f   82.950   0.8202  6684.80  132.033  6633.01  188.306  6734.87  185.179   82.633   1.1739   83.267   1.1457 -0.6337280 1.640321 
1 1 1   10   12   18 o   42.521   0.7644  1758.84   62.815  1726.57   92.840  1786.08   85.306   42.159   1.1344   42.882   1.0248 -0.7237473 1.528779 
1 1 1   10   12   19 o   58.228   0.7291  3295.70   82.158  3264.52  120.703  3322.61  112.147   57.970   1.0726   58.487   0.9878 -0.5174484 1.458174 
1 1 1   10   12   20 o   83.254   0.8435  6737.02  136.299  6585.30  192.638  6889.11  192.875   82.314   1.2056   84.194   1.1801 -1.879730 1.687060 
1 1 1   10   12   21 o   65.954   0.7859  4228.56  100.560  4205.14  144.482  4250.56  140.049   65.775   1.1316   66.132   1.0909 -0.3576660 1.571828 
1 1 1   10   12   22 o   87.843   0.8808  7505.42  150.153  7395.74  213.533  7612.71  211.184   87.206   1.2614   88.480   1.2296 -1.274277 1.761521 
1 1 1   10   12   23 o   47.200   0.8678  2174.48   79.230  2065.19  115.179  2272.64  109.160   46.065   1.2881   48.335   1.1634 -2.270393 1.735697 
1 1 1   10   12   24 o   82.950   0.8584  6696.92  138.099  6784.03  199.930  6617.44  190.981   83.461   1.2340   82.439   1.1934 1.021935 1.716714 
1 1 1   10   12   25 o   35.241   1.0368  1213.54   70.702  1209.71  104.133  1216.82   96.301   35.180   1.5248   35.302   1.4053 -0.1217613 2.073653 
1 1 1   10   12   26 o   15.109   2.2240  239.676   62.732  223.870   94.266  252.240   84.044   14.579   3.3943   15.638   2.8745 -1.058925 4.447904 
1 1 1   10   12   27 o   39.462   0.9535  1524.36   72.254  1547.26  110.976  1507.50   95.195   39.690   1.4404   39.234   1.2499 0.4560051 1.907097 
1 1 1   10   12   28 f   32.363   1.1699  1041.04   72.980  978.865  107.737  1093.75   99.208   31.423   1.7662   33.302   1.5347 -1.878366 2.339810 
1 1 1   10   12   29 f   11.585   2.6625  146.400   69.707  113.532  101.210  176.061   96.147   10.618   3.8328   12.553   3.6966 -1.934643 5.324927 
1 1 1   10   12   30 f   29.765   1.7496  930.180   98.709  845.509  152.262  991.563  129.642   28.345   2.7673   31.185   2.1416 -2.840551 3.499150 
1 1 1   10   13    0 o  206.436   1.2239 41363.03  487.196 41294.02  652.264 41450.12  732.732  206.244   1.6292  206.628   1.8268 -0.3839264 2.447762 
1 1 1   10   13    1 o  317.946   1.4118 98163.77  870.211 97821.04  1261.95 98474.52  1201.59  317.414   2.0481  318.478   1.9436 -1.063660 2.823545 
1 1 1   10   13    2 o  134.327   1.1155 17389.74  282.090 17011.97  355.864 18028.45  462.730  132.381   1.3848  136.273   1.7493 -3.891342 2.231056 
1 1 1   10   13    3 o  111.003   0.8121 11959.60  174.966 11882.34  245.609 12039.20  249.309  110.640   1.1436  111.367   1.1532 -0.7277679 1.624110 
1 1 1   10   13    4 o  104.235   0.8049 10539.61  162.799 10316.31  226.185 10779.64  234.507  103.091   1.1303  105.380   1.1464 -2.289398 1.609873 
1 1 1   10   13    5 o  295.140   1.4046 84601.50  802.905 84217.42  1174.11 84938.88  1100.42  294.507   2.0538  295.773   1.9166 -1.266479 2.809155 
1 1 1   10   13    6 o  191.300   1.1959 35514.57  442.630 35700.59  654.008 35357.35  601.259  191.760   1.7570  190.840   1.6230 0.9199982 2.391890 
1 1 1   10   13    7 o  180.088   1.0941 31481.75  382.437 31198.44  535.521 31776.62  546.336  179.262   1.5389  180.915   1.5557 -1.652878 2.188268 
1 1 1   10   13    8 o   88.075   0.8622  7521.11  141.580  7496.59  176.940  7564.74  236.051   87.878   1.0372   88.272   1.3776 -0.3936005 1.724411 
1 1 1   10   13    9 o  125.541   0.8904 15296.31  216.830 15422.13  313.156 15180.45  300.523  126.036   1.2800  125.046   1.2381 0.9903336 1.780770 
1 1 1   10   13   10 f  131.181   0.9759 16718.67  248.286 16454.63  356.956 16966.14  345.579  130.176   1.4126  132.186   1.3468 -2.010498 1.951732 
1 1 1   10   13   11 o   64.137   0.6423  3993.66   79.950  3913.58  113.018  4073.88  113.114   63.493   0.9170   64.781   0.8995 -1.287548 1.284511 
1 1 1   10   13   12 o   50.655   0.6384  2493.01   62.723  2414.64   89.528  2568.56   87.903   49.872   0.9248   51.438   0.8804 -1.565468 1.276798 
1 1 1   10   13   13 o   18.655   1.1480  329.526   41.036  398.960   64.473  282.241   53.205   20.265   1.6390   17.045   1.6080 3.219854 2.296097 
1 1 1   10   13   14 o  113.980   0.9022 12620.61  199.572 12334.81  282.721 12904.46  281.755  112.692   1.2924  115.267   1.2592 -2.574913 1.804422 
1 1 1   10   13   15 o   95.534   0.8160  8865.82  151.221  8811.66  217.563  8916.45  210.337   95.250   1.1767   95.817   1.1309 -0.5671997 1.631987 
1 1 1   10   13   16 o  149.554   1.1019 21748.55  319.559 21480.65  461.107 21996.12  443.270  148.662   1.5979  150.445   1.5178 -1.783478 2.203849 
1 1 1   10   13   17 o  115.816   1.0462 13036.73  235.191 13017.01  334.668 13055.98  330.588  115.728   1.4897  115.904   1.4693 -0.1752396 2.092439 
1 1 1   10   13   18 o  118.115   1.0640 13553.27  243.871 13165.93  340.012 13963.65  349.974  116.378   1.5051  119.852   1.5043 -3.473923 2.127932 
1 1 1   10   13   19 f   53.466   0.7296  2774.38   75.492  2807.37  111.519  2746.47  102.567   53.757   1.0687   53.174   0.9937 0.5829544 1.459264 
1 1 1   10   13   20 o   78.927   0.8199  6054.47  125.606  5992.89  178.359  6115.05  176.918   78.528   1.1700   79.326   1.1489 -0.7981491 1.639822 
1 1 1   10   13   21 o   53.492   0.7846  2779.87   81.454  2853.37  116.594  2709.80  113.841   54.183   1.1085   52.802   1.1107 1.380882 1.569217 
1 1 1   10   13   22 o   66.983   0.7910  4362.33  102.794  4340.23  147.490  4383.21  143.345   66.816   1.1371   67.150   1.0997 -0.3335114 1.581904 
1 1 1   10   13   23 o   64.317   0.8072  4026.18  100.673  3975.54  145.280  4072.97  139.633   63.924   1.1708   64.710   1.1116 -0.7861404 1.614440 
1 1 1   10   13   24 o   40.209   0.9101  1559.58   70.355  1684.70  108.772  1469.57   92.251   41.574   1.3478   38.844   1.2234 2.730564 1.820268 
1 1 1   10   13   25 o   11.074   2.5372  117.802   63.010  153.469   92.818   87.316   85.813   12.222   3.6403   9.9263   3.5352 2.295727 5.074375 
1 1 1   10   13   26 o   31.789   1.0508  986.591   64.101  1012.18   98.937  968.082   84.152   32.122   1.5867   31.455   1.3782 0.6665668 2.101665 
1 1 1   10   13   27 o   26.760   1.2946  708.973   66.534  708.704  101.703  709.174   87.970   26.717   1.9610   26.803   1.6908 -0.8621597E-01 2.589285 
1 1 1   10   13   28 o   38.360   1.0152  1437.87   75.267  1636.10  111.749  1273.27  101.829   40.771   1.4120   35.950   1.4592 4.820686 2.030500 
1 1 1   10   13   29 o   26.001   1.4959  696.741   73.669  552.579  107.513  824.333  101.146   23.279   2.3792   28.724   1.8140 -5.444767 2.991891 
1 1 1   10   13   30 o   29.835   1.6419  929.938   91.983  854.768  146.072  979.332  118.408   28.575   2.6334   31.095   1.9617 -2.519279 3.283718 
1 1 1   10   14    0 o  106.509   0.8181 10986.60  168.624 10710.78  228.421 11316.91  249.973  105.044   1.1202  107.975   1.1926 -2.930618 1.636227 
1 1 1   10   14    1 o  231.363   1.2041 51965.74  540.774 51908.88  760.987 52023.75  768.610  231.235   1.6953  231.490   1.7104 -0.2552490 2.408278 
1 1 1   10   14    2 o  154.003   0.9882 23022.82  295.409 22997.21  414.987 23049.13  420.613  153.917   1.3889  154.090   1.4062 -0.1732941 1.976491 
1 1 1   10   14    3 o  197.087   1.1337 37710.27  433.711 37977.29  612.876 37442.41  613.844  197.786   1.5963  196.388   1.6102 1.398163 2.267343 
1 1 1   10   14    4 f  162.735   1.1385 25763.98  356.231 25307.95  539.958 26115.45  474.029  161.454   1.7228  164.016   1.4889 -2.561432 2.277037 
1 1 1   10   14    5 o  307.897   1.4691 92188.48  872.731 90739.58  1302.64 93368.49  1175.57  305.691   2.1952  310.103   1.9529 -4.411133 2.938155 
1 1 1   10   14    6 o  132.608   1.0644 17011.53  267.280 17342.46  430.001 16803.17  341.200  133.652   1.6574  131.564   1.3360 2.087997 2.128817 
1 1 1   10   14    7 o  202.343   1.2533 39683.19  486.467 39297.35  639.168 40214.41  749.979  201.182   1.6367  203.504   1.8985 -2.321808 2.506589 
1 1 1   10   14    8 o  187.220   1.1334 34033.98  411.865 34132.70  579.424 33933.16  585.556  187.495   1.5920  186.945   1.6136 0.5497742 2.266735 
1 1 1   10   14    9 o  121.294   0.8629 14285.72  203.030 14220.78  292.523 14346.07  282.020  121.027   1.2451  121.560   1.1952 -0.5333176 1.725899 
1 1 1   10   14   10 o   80.815   0.7083  6339.19  111.098  6413.27  158.729  6268.04  155.550   81.278   1.0061   80.352   0.9973 0.9253998 1.416570 
1 1 1   10   14   11 o  128.739   1.0304 16097.50  257.137 16155.94  354.554 16032.65  373.478  128.987   1.4160  128.490   1.4974 0.4966736 2.060885 
1 1 1   10   14   12 o   84.014   0.7189  6854.27  117.211  6763.02  166.901  6943.08  164.644   83.462   1.0302   84.566   1.0030 -1.104378 1.437766 
1 1 1   10   14   13 o  176.133   1.0847 30142.88  370.244 30039.93  538.934 30234.91  509.512  175.843   1.5789  176.422   1.4878 -0.5791473 2.169394 
1 1 1   10   14   14 o   81.538   0.7650  6456.88  121.062  6421.47  172.855  6490.98  169.607   81.318   1.0950   81.758   1.0687 -0.4399033 1.530095 
1 1 1   10   14   15 o   86.372   0.7803  7245.34  130.809  7222.48  186.486  7267.48  183.532   86.237   1.1140   86.506   1.0929 -0.2691879 1.560625 
1 1 1   10   14   16 o   90.270   0.7990  7921.96  139.862  7719.27  200.781  8113.03  194.937   89.146   1.1603   91.395   1.0988 -2.249039 1.597973 
1 1 1   10   14   17 o  165.295   1.4418 26581.77  462.572 26143.40  648.261 27036.52  660.257  163.907   2.0374  166.683   2.0406 -2.775543 2.883609 
1 1 1   10   14   18 f   38.565   0.8051  1457.38   59.379  1364.12   90.513  1527.84   78.674   37.469   1.2444   39.661   1.0219 -2.191917 1.610251 
1 1 1   10   14   19 o   88.412   0.8615  7595.64  147.805  7611.61  211.642  7580.44  206.507   88.502   1.2319   88.323   1.2045 0.1789856 1.722907 
1 1 1   10   14   20 o  117.957   1.0728 13531.53  245.615 13623.35  351.022 13443.45  343.795  118.347   1.5280  117.566   1.5064 0.7804794 2.145700 
1 1 1   10   14   21 o   50.755   0.8037  2503.58   79.172  2521.28  112.991  2486.51  110.968   50.930   1.1429   50.579   1.1302 0.3515625 1.607356 
1 1 1   10   14   22 o   15.544   2.0313  237.454   59.283  318.373   89.469  174.119   79.153   18.035   2.5556   13.052   3.1582 4.982453 4.062681 
1 1 1   10   14   23 o   45.809   0.8621  2040.80   76.588  2075.53  111.199  2009.46  105.638   46.178   1.2405   45.441   1.1976 0.7365723 1.724267 
1 1 1   10   14   24 o   62.714   0.8011  3832.28   97.305  3781.85  141.959  3876.97  133.638   62.318   1.1735   63.111   1.0908 -0.7930527 1.602202 
1 1 1   10   14   25 o   14.229   2.2728  208.972   61.719  264.612   90.317  160.225   84.537   16.039   3.0114   12.418   3.4050 3.620761 4.545615 
1 1 1   10   14   26 o   15.609   2.1374  264.153   61.723  179.402   93.543  329.506   82.143   13.012   3.5876   18.206   2.3243 -5.194427 4.274724 
1 1 1   10   14   27 o   26.765   1.3273  712.766   68.424  688.792  102.320  732.160   92.028   26.317   2.0029   27.213   1.7421 -0.8956528 2.654541 
1 1 1   10   14   28 o   51.508   0.8818  2606.97   88.070  2525.81  126.260  2683.88  122.907   50.709   1.2827   52.306   1.2105 -1.596695 1.763663 
1 1 1   10   14   29 o   27.433   1.3247  749.643   70.015  787.292  106.703  721.178   92.782   27.992   1.9637   26.873   1.7786 1.118856 2.649457 
1 1 1   10   14   30 o   27.238   1.7541  771.650   88.090  771.438  149.177  771.764  109.153   26.940   2.8526   27.535   2.0421 -0.5949612 3.508177 
1 1 1   10   15    0 o  289.936   1.3211 81600.11  743.361 81012.44  1039.12 82216.09  1063.85  288.867   1.8531  291.004   1.8833 -2.136749 2.642128 
1 1 1   10   15    1 o  292.848   1.3296 83240.31  755.703 82230.22  1056.44 84298.83  1081.46  291.029   1.8700  294.666   1.8907 -3.636902 2.659228 
1 1 1   10   15    2 o  199.407   1.1302 38590.46  437.403 38055.32  611.051 39152.82  626.397  197.990   1.5899  200.824   1.6068 -2.834213 2.260456 
1 1 1   10   15    3 f  119.122   1.0081 13806.30  228.623 13614.94  359.159 13936.67  296.438  118.424   1.5624  119.820   1.2745 -1.395630 2.016263 
1 1 1   10   15    4 o  143.675   1.0016 20045.41  278.903 19924.63  405.348 20154.00  384.346  143.263   1.4576  144.087   1.3741 -0.8238525 2.003195 
1 1 1   10   15    5 o  224.392   1.2221 48886.88  532.294 49274.68  751.233 48495.87  754.331  225.286   1.7178  223.498   1.7387 1.788223 2.444165 
1 1 1   10   15    6 o  154.600   1.0880 23200.11  326.484 22899.08  457.645 23512.09  465.901  153.579   1.5351  155.621   1.5423 -2.041855 2.176023 
1 1 1   10   15    7 o   82.755   0.7139  6646.78  114.678  6733.18  163.568  6563.25  160.825   83.284   1.0117   82.227   1.0076 1.057610 1.427875 
1 1 1   10   15    8 o  101.995   0.8030 10099.14  158.990 10100.32  225.452 10097.97  224.243  102.001   1.1386  101.990   1.1327 0.1172638E-01 1.606049 
1 1 1   10   15    9 o  109.290   0.8640 11592.09  183.189 11717.82  264.433 11476.06  254.018  109.859   1.2400  108.721   1.2036 1.138184 1.728068 
1 1 1   10   15   10 o  143.062   1.0079 19885.67  279.667 19565.61  401.995 20185.88  389.327  141.945   1.4589  144.180   1.3911 -2.235748 2.015820 
1 1 1   10   15   11 o   46.150   0.7355  2078.25   64.756  2127.65   84.685  2008.70  100.488   46.815   0.9319   45.485   1.1381 1.329781 1.470925 
1 1 1   10   15   12 o  215.651   1.3004 45183.14  542.287 45197.21  802.895 45171.35  735.366  215.673   1.9178  215.630   1.7568 0.4229736E-01 2.600830 
1 1 1   10   15   13 o   31.977   0.7934  992.014   49.192  1011.52   71.570  974.552   67.726   32.274   1.1424   31.680   1.1013 0.5945911 1.586801 
1 1 1   10   15   14 o   44.885   0.6421  1956.37   55.940  1930.67   79.356  1981.76   78.869   44.592   0.9168   45.178   0.8993 -0.5864220 1.284220 
1 1 1   10   15   15 o  145.105   1.0598 20468.35  298.189 20232.61  430.418 20685.92  413.497  144.297   1.5366  145.913   1.4599 -1.615738 2.119536 
1 1 1   10   15   16 o   85.391   0.8204  7081.01  135.891  7131.04  196.183  7034.88  188.409   85.679   1.1796   85.102   1.1405 0.5773010 1.640763 
1 1 1   10   15   17 o  110.473   1.0078 11842.71  215.902 12243.29  314.125 11484.04  297.237  112.239   1.4418  108.706   1.4086 3.532547 2.015636 
1 1 1   10   15   18 o  112.240   1.0182 12245.92  221.832 12136.76  313.836 12354.91  313.599  111.739   1.4469  112.741   1.4329 -1.001366 2.036364 
1 1 1   10   15   19 o   96.499   0.9181  9051.59  171.978  8986.93  243.444  9116.01  242.985   96.155   1.3043   96.844   1.2925 -0.6893845 1.836225 
1 1 1   10   15   20 o   28.381   1.1214  780.370   61.610  865.707   90.173  705.657   84.374   29.831   1.5572   26.930   1.6140 2.900644 2.242735 
1 1 1   10   15   21 o   69.155   0.8001  4646.22  107.332  4703.18  155.079  4593.86  148.701   69.560   1.1485   68.750   1.1142 0.8102188 1.600184 
1 1 1   10   15   22 o   48.201   0.8068  2249.62   74.959  2335.03  113.777  2184.11   99.639   49.002   1.1961   47.400   1.0829 1.601742 1.613506 
1 1 1   10   15   23 o   34.213   1.0382  1137.71   68.756  1181.30  101.844  1101.21   93.201   34.810   1.5072   33.617   1.4282 1.193134 2.076407 
1 1 1   10   15   24 o   22.097   1.4971  481.636   63.787  455.428   94.253  503.784   86.644   21.523   2.2559   22.672   1.9687 -1.148258 2.994174 
1 1 1   10   15   25 o   9.6989   2.5147   78.360   61.714   85.173   92.058   72.799   83.170   10.001   3.6484   9.3967   3.4617 0.6045284 5.029365 
1 1 1   10   15   26 o   29.594   1.1011  848.329   62.695  945.513   96.839  778.201   82.261   31.022   1.6081   28.165   1.5046 2.857086 2.202201 
1 1 1   10   15   27 o   32.222   1.1243  1017.58   70.019  1086.68  105.090  962.414   93.896   33.187   1.6313   31.257   1.5475 1.929619 2.248543 
1 1 1   10   15   28 o   18.749   1.9146  373.883   65.642  301.229   98.628  431.657   87.950   16.781   3.1433   20.717   2.1870 -3.936377 3.829265 
1 1 1   10   15   29 o   7.6516   2.3578 -21.6551   67.316   55.930  103.957 -77.6790   88.339   9.1540   3.7252   6.1492   2.8913 3.004816 4.715567 
1 1 1   10   15   30 o   10.562   2.9711   83.502   90.439  185.931  149.517   24.405  113.570   12.521   4.6361   8.6033   3.7169 3.918224 5.942103 
1 1 1   10   16    0 o  133.703   0.9315 17353.34  241.750 17398.09  341.881 17308.59  341.891  133.876   1.3155  133.531   1.3190 0.3448334 1.862902 
1 1 1   10   16    1 o   91.066   0.7271  8046.34  128.496  7917.09  178.983  8183.81  184.589   90.312   1.0209   91.821   1.0356 -1.508553 1.454244 
1 1 1   10   16    2 o  263.092   1.2925 67203.92  660.078 67507.48  932.442 66898.98  934.543  263.688   1.8217  262.497   1.8340 1.191681 2.584985 
1 1 1   10   16    3 o  404.139   1.5538 158567.41  1217.46 159205.41  1767.62 157991.50  1679.28  404.908   2.2489  403.370   2.1446 1.537689 3.107572 
1 1 1   10   16    4 o   37.785   0.6833  1395.26   48.298  1422.22   60.993  1349.93   79.087   38.278   0.8208   37.292   1.0925 0.9864082 1.366515 
1 1 1   10   16    5 o  122.448   0.9126 14561.40  216.759 14750.00  302.096 14361.27  311.193  123.266   1.2625  121.630   1.3180 1.636093 1.825143 
1 1 1   10   16    6 o  109.728   0.8326 11680.59  177.290 11981.29  254.889 11398.76  246.760  111.095   1.1819  108.361   1.1731 2.734238 1.665269 
1 1 1   10   16    7 o  159.800   1.0325 24791.02  320.232 24697.73  449.163 24887.47  456.683  159.495   1.4507  160.106   1.4694 -0.6108551 2.064906 
1 1 1   10   16    8 o   57.128   0.6252  3166.09   69.301  3044.59   96.789  3293.90   99.271   56.004   0.8903   58.252   0.8779 -2.247959 1.250352 
1 1 1   10   16    9 o   63.880   0.6365  3960.64   78.918  3910.15  110.677  4012.86  112.560   63.466   0.8984   64.294   0.9019 -0.8281097 1.272968 
1 1 1   10   16   10 o   91.010   0.8783  8025.68  150.610  7974.44  190.930  8110.09  245.044   90.630   1.0853   91.389   1.3813 -0.7596130 1.756631 
1 1 1   10   16   11 o  135.146   1.0134 17726.46  265.389 17902.75  387.724 17571.05  364.029  135.776   1.4711  134.516   1.3941 1.259949 2.026717 
1 1 1   10   16   12 o   50.528   0.6418  2474.71   62.897  2575.53   91.326  2383.75   86.750   51.506   0.9134   49.551   0.9019 1.954597 1.283645 
1 1 1   10   16   13 o  122.734   0.9560 14632.48  227.636 14608.26  327.089 14655.24  316.999  122.634   1.3740  122.834   1.3295 -0.2000961 1.911901 
1 1 1   10   16   14 o   41.335   0.6729  1657.35   53.959  1704.82   78.003  1613.79   74.721   41.901   0.9590   40.768   0.9442 1.133858 1.345803 
1 1 1   10   16   15 f  111.098   0.8749 11985.13  188.594 12104.14  271.518 11874.19  262.153  111.629   1.2530  110.566   1.2214 1.063278 1.749833 
1 1 1   10   16   16 o   73.410   0.7364  5222.25  104.801  5470.97  152.989  5002.35  143.855   75.053   1.0501   71.768   1.0326 3.285500 1.472735 
1 1 1   10   16   17 o   26.980   1.0408  707.952   54.199  703.071   80.957  711.916   72.962   26.893   1.5508   27.066   1.3887 -0.1728325 2.081676 
1 1 1   10   16   18 o   94.561   0.8986  8689.71  164.919  8649.45  234.835  8728.88  231.658   94.344   1.2823   94.778   1.2591 -0.4342575 1.797139 
1 1 1   10   16   19 o   28.736   1.0889  808.540   60.338  730.305   87.474  879.554   83.339   27.397   1.6448   30.076   1.4275 -2.678537 2.177841 
1 1 1   10   16   20 o  103.464   0.9702 10403.84  194.788 10621.86  280.218 10199.98  270.958  104.511   1.3812  102.417   1.3629 2.093872 1.940449 
1 1 1   10   16   21 o   52.336   0.7929  2663.93   80.505  2584.00  114.617  2741.76  113.101   51.559   1.1452   53.113   1.0970 -1.553795 1.585835 
1 1 1   10   16   22 f   8.0935   2.3373   16.301   57.893   54.582   91.378  -9.3683   74.827   9.2316   3.5758   6.9554   3.0110 2.276196 4.674656 
1 1 1   10   16   23 o   53.720   0.9507  2814.36   95.431  2822.51  119.820  2800.23  157.817   53.854   1.1462   53.587   1.5172 0.2669334 1.901431 
1 1 1   10   16   24 o   92.204   0.9113  8287.47  163.105  8329.31  232.249  8246.75  229.112   92.432   1.2944   91.976   1.2832 0.4557190 1.822686 
1 1 1   10   16   25 o   20.709   1.5435  427.646   61.279  384.497   91.082  463.328   82.827   19.713   2.3802   21.706   1.9658 -1.992420 3.087003 
1 1 1   10   16   26 o   26.014   1.2689  670.175   63.657  637.689   94.177  697.505   86.378   25.404   1.9097   26.624   1.6713 -1.220062 2.537815 
1 1 1   10   16   27 o   35.445   1.0333  1242.91   70.623  1149.33  103.377  1324.82   96.710   34.154   1.5593   36.736   1.3562 -2.581696 2.066524 
1 1 1   10   16   28 o   22.342   1.4831  504.790   62.071  486.303  100.865  516.058   78.748   21.907   2.3719   22.778   1.7810 -0.8706627 2.966108 
1 1 1   10   16   29 o   16.010   2.2834  286.124   68.908  216.963  102.251  343.669   93.270   13.803   3.7283   18.218   2.6374 -4.414695 4.566899 
1 1 1   10   16   30 o   18.627   2.7240  378.523   97.023  606.235  156.394  236.051  123.706   23.358   3.4493   13.896   4.2171 9.461849 5.448052 
1 1 1   10   17    0 o   70.307   0.6179  4797.33   84.316  4834.16  120.583  4762.10  117.943   70.571   0.8802   70.043   0.8674 0.5278854 1.235821 
1 1 1   10   17    1 o  148.898   1.0138 21522.78  293.030 21514.00  414.667 21531.53  414.149  148.868   1.4349  148.928   1.4326 -0.6069946E-01 2.027631 
1 1 1   10   17    2 f  365.755   1.4595 129895.40  1036.22 130879.10  1466.62 128914.80  1464.27  367.138   2.0579  364.371   2.0702 2.766479 2.919012 
1 1 1   10   17    3 o   40.518   1.8134  1594.19   59.260  1594.16   60.647  1594.70  278.692   40.526   0.7709   40.511   3.5440 0.1568985E-01 3.626859 
1 1 1   10   17    4 o  248.644   1.3351 59981.17  639.719 59655.72  853.693 60397.97  966.097  247.880   1.7742  249.407   1.9955 -1.527145 2.670131 
1 1 1   10   17    5 o  382.005   1.4912 141688.30  1105.53 140612.20  1545.86 142814.80  1581.67  380.522   2.0928  383.488   2.1247 -2.965698 2.982309 
1 1 1   10   17    6 o  130.857   0.9211 16623.54  233.954 16600.95  329.171 16646.61  332.577  130.768   1.2967  130.947   1.3084 -0.1794281 1.842117 
1 1 1   10   17    7 o  119.702   0.8780 13910.80  204.007 13997.88  288.241 13823.40  288.778  120.078   1.2366  119.327   1.2467 0.7509384 1.755964 
1 1 1   10   17    8 o  262.346   1.3124 66845.94  668.357 67355.53  946.159 66338.40  944.242  263.345   1.8509  261.348   1.8612 1.996918 2.624853 
1 1 1   10   17    9 o   84.097   0.7462  6866.21  121.811  6878.80  171.921  6853.52  172.616   84.175   1.0522   84.020   1.0584 0.1549149 1.492369 
1 1 1   10   17   10 o   99.396   0.9909  9646.21  184.007  9792.13  231.682  9396.92  302.828  100.427   1.1884   98.366   1.5859 2.060226 1.981807 
1 1 1   10   17   11 o  106.051   0.8342 10919.67  171.699 10950.45  245.107 10890.02  240.593  106.198   1.1890  105.905   1.1703 0.2928009 1.668327 
1 1 1   10   17   12 o   96.471   0.7909  9037.33  148.105  9016.59  210.762  9057.56  208.167   96.361   1.1267   96.581   1.1103 -0.2193451 1.581900 
1 1 1   10   17   13 o   98.477   0.8107  9411.38  154.910  9179.14  215.549  9659.46  222.780   97.222   1.1421   99.732   1.1507 -2.510849 1.621316 
1 1 1   10   17   14 o   32.117   0.7886  1003.12   48.882  1144.34   69.993  868.655   68.297   34.328   1.0504   29.906   1.1765 4.421501 1.577131 
1 1 1   10   17   15 o   47.430   0.6747  2186.63   62.021  2142.66   89.759  2226.80   85.797   46.973   0.9844   47.888   0.9230 -0.9149513 1.349400 
1 1 1   10   17   16 o   57.088   0.7001  3165.27   77.578  3182.08  109.235  3148.17  110.195   57.241   0.9831   56.935   0.9971 0.3062744 1.400202 
1 1 1   10   17   17 o   72.591   0.7633  5119.06  107.549  5071.71  152.961  5165.36  151.247   72.258   1.0905   72.923   1.0684 -0.6651993 1.526693 
1 1 1   10   17   18 o   92.794   0.8838  8362.58  159.131  8521.79  229.203  8214.41  221.106   93.645   1.2609   91.943   1.2389 1.702469 1.767639 
1 1 1   10   17   19 o   72.255   0.7869  5075.00  110.319  4989.23  157.510  5157.59  154.561   71.654   1.1324   72.856   1.0929 -1.201912 1.573762 
1 1 1   10   17   20 o   51.760   0.7898  2605.19   79.287  2568.05  114.006  2639.98  110.341   51.401   1.1426   52.119   1.0906 -0.7182121 1.579542 
1 1 1   10   17   21 o   23.112   1.3978  521.253   62.653  497.253   88.807  545.036   88.405   22.579   2.0261   23.645   1.9261 -1.065540 2.795536 
1 1 1   10   17   22 o   54.135   0.7809  2843.92   81.689  2907.72  122.076  2792.19  109.928   54.680   1.1501   53.591   1.0567 1.088966 1.561852 
1 1 1   10   17   23 o   85.679   0.8759  7148.46  145.646  7127.31  207.695  7168.92  204.296   85.551   1.2506   85.806   1.2265 -0.2547455 1.751707 
1 1 1   10   17   24 o   27.546   1.2053  741.941   64.403  755.688   93.107  729.330   89.180   27.787   1.7261   27.304   1.6826 0.4832802 2.410510 
1 1 1   10   17   25 o   14.098   2.2348  210.535   59.065  184.979   91.979  228.468   77.051   13.277   3.5140   14.920   2.7622 -1.642982 4.469641 
1 1 1   10   17   26 o   21.369   1.5295  453.818   63.290  496.641   90.620  413.040   88.431   22.371   2.0868   20.368   2.2366 2.002832 3.058930 
1 1 1   10   17   27 o   11.084   2.4806  126.828   63.742   61.517   95.102  180.100   85.891   9.2406   3.6285   12.928   3.3832 -3.687672 4.961099 
1 1 1   10   17   28 o   26.937   1.3096  734.807   66.897  662.969  103.197  786.878   87.858   25.694   2.0691   28.180   1.6061 -2.486626 2.619276 
1 1 1   10   17   29 o   18.114   2.2433  351.661   76.723  333.507  101.996  375.319  116.438   17.783   2.9548   18.446   3.3763 -0.6629868 4.486676 
1 1 1   10   17   30 f   13.995   3.2182  235.007   98.457  310.221  159.410  188.620  125.188   15.458   4.8047   12.532   4.2829 2.925684 6.436470 
1 1 1   10   18    0 o   90.327   0.7246  7917.66  127.023  8119.99  181.180  7722.08  178.135   91.462   1.0205   89.192   1.0289 2.269196 1.449117 
1 1 1   10   18    1 o  251.798   1.2664 61554.50  618.983 62359.33  877.833 60758.63  872.935  253.435   1.7843  250.161   1.7976 3.274445 2.532850 
1 1 1   10   18    2 o  188.469   1.0983 34475.46  401.730 34104.48  561.269 34865.14  575.253  187.430   1.5426  189.509   1.5637 -2.078110 2.196597 
1 1 1   10   18    3 o  156.053   1.0506 23652.98  317.599 23832.77  436.349 23450.44  463.153  156.685   1.4346  155.421   1.5351 1.264069 2.101157 
1 1 1   10   18    4 o  423.874   1.5914 174437.20  1306.98 173710.09  1792.31 175262.91  1910.00  422.939   2.1831  424.810   2.3162 -1.871582 3.182854 
1 1 1   10   18    5 o   42.901   0.6129  1786.86   51.029  1740.64   72.164  1833.09   72.168   42.346   0.8779   43.456   0.8555 -1.110168 1.225802 
1 1 1   10   18    6 o   25.499   0.8318  630.735   40.818  747.640   59.168  524.576   56.383   27.752   1.0983   23.246   1.2495 4.506332 1.663614 
1 1 1   10   18    7 o   71.553   0.6589  4970.05   91.523  4982.18  129.198  4957.83  129.668   71.641   0.9290   71.465   0.9347 0.1753464 1.317863 
1 1 1   10   18    8 o  248.410   1.2944 59925.00  624.079 59314.42  873.494 60561.66  891.959  247.119   1.8209  249.702   1.8402 -2.582733 2.588811 
1 1 1   10   18    9 o  121.559   0.9323 14345.88  219.839 14401.50  317.211 14294.49  304.950  121.785   1.3418  121.333   1.2947 0.4514923 1.864620 
1 1 1   10   18   10 o   79.643   0.7157  6152.58  110.587  5878.50  154.047  6444.04  158.852   77.815   1.0198   81.472   1.0044 -3.657440 1.431407 
1 1 1   10   18   11 o   51.150   0.6366  2537.69   63.163  2600.32   91.358  2480.34   87.423   51.754   0.9094   50.546   0.8910 1.207802 1.273114 
1 1 1   10   18   12 o   60.447   0.6561  3547.91   76.971  3532.29  109.809  3562.99  107.922   60.316   0.9379   60.578   0.9178 -0.2620049 1.312192 
1 1 1   10   18   13 o   71.349   0.6824  4943.06   94.499  4849.02  133.395  5037.79  133.889   70.668   0.9724   72.030   0.9576 -1.362877 1.364740 
1 1 1   10   18   14 o   54.364   0.6592  2867.86   69.544  2975.24   99.737  2766.25   97.020   55.354   0.9282   53.375   0.9364 1.979713 1.318483 
1 1 1   10   18   15 o   12.009   1.9552  147.150   44.462  136.448   66.952  155.593   59.468   11.607   2.9618   12.412   2.5533 -0.8055105 3.910477 
1 1 1   10   18   16 o   42.534   0.7522  1759.82   61.961  1620.42   87.589  1899.47   87.663   40.844   1.1047   44.224   1.0212 -3.379681 1.504386 
1 1 1   10   18   17 f   50.514   0.7234  2477.33   70.916  2521.39  101.783  2435.76   98.861   50.950   1.0291   50.078   1.0170 0.8722992 1.446839 
1 1 1   10   18   18 o   11.712   2.2171  138.443   51.623  156.885   73.694  120.674   72.337   12.424   3.0728   10.999   3.1971 1.424683 4.434296 
1 1 1   10   18   19 o   70.015   0.7836  4759.96  106.441  4863.27  153.594  4664.51  147.643   70.745   1.1184   69.285   1.0978 1.459259 1.567158 
1 1 1   10   18   20 o   47.388   0.8179  2183.42   75.093  2173.93  109.486  2191.85  103.188   47.289   1.1927   47.488   1.1194 -0.1990700 1.635733 
1 1 1   10   18   21 o  115.687   1.0648 13024.88  239.092 13125.25  340.733 12927.52  335.580  116.124   1.5116  115.249   1.5000 0.8755112 2.129516 
1 1 1   10   18   22 o   79.839   0.8402  6203.42  130.165  6065.83  185.230  6337.64  182.954   78.961   1.2085   80.717   1.1676 -1.756042 1.680404 
1 1 1   10   18   23 o   45.535   0.8537  2017.27   75.298  2044.18  110.443  1993.90  102.929   45.815   1.2419   45.256   1.1716 0.5585594 1.707318 
1 1 1   10   18   24 o   21.056   1.5158  437.359   61.765  414.551   89.346  458.235   85.480   20.515   2.2436   21.596   2.0390 -1.081327 3.031679 
1 1 1   10   18   25 o   33.654   1.0138  1105.84   65.704  1123.73   99.712  1092.11   87.349   33.879   1.5162   33.429   1.3461 0.4494781 2.027503 
1 1 1   10   18   26 o   56.024   0.8174  3070.10   88.830  3019.29  127.483  3118.05  123.845   55.564   1.1819   56.484   1.1295 -0.9198570 1.634851 
1 1 1   10   18   27 o   19.785   1.6645  392.605   63.410  400.700   96.347  386.420   84.222   19.924   2.4912   19.647   2.2084 0.2771435 3.329087 
1 1 1   10   18   28 o   10.064   2.5564   99.426   63.477  102.125   93.105   97.082   86.771   10.192   3.6765   9.9359   3.5531 0.2563877 5.112897 
1 1 1   10   18   29 o   15.555   2.5986  279.694   76.993  303.619  101.696  247.565  117.850   16.581   3.2757   14.529   4.0349 2.052466 5.197134 
1 1 1   10   19    0 o   72.576   0.7292  5118.52  100.083  5088.00  160.616  5137.89  127.962   72.399   1.1429   72.754   0.9061 -0.3556976 1.458453 
1 1 1   10   19    1 o  181.267   1.0833 31898.56  381.185 31918.69  537.067 31878.12  541.110  181.325   1.5258  181.210   1.5383 0.1156006 2.166678 
1 1 1   10   19    2 o  153.649   1.0188 22919.35  303.828 22976.97  426.286 22859.86  433.151  153.846   1.4274  153.453   1.4541 0.3931580 2.037639 
1 1 1   10   19    3 f  122.345   0.8848 14530.48  210.141 14615.84  297.562 14445.57  296.808  122.703   1.2493  121.986   1.2534 0.7168808 1.769675 
1 1 1   10   19    4 o  343.655   1.4399 114687.60  960.543 115283.10  1357.12 114089.80  1359.71  344.549   2.0291  342.760   2.0436 1.789185 2.879829 
1 1 1   10   19    5 o  114.809   0.8635 12795.67  192.435 12917.50  272.932 12675.24  271.363  115.353   1.2189  114.266   1.2234 1.086868 1.726961 
1 1 1   10   19    6 o  149.091   1.0092 21578.10  292.064 21331.98  409.950 21831.79  416.204  148.228   1.4247  149.954   1.4298 -1.726257 2.018488 
1 1 1   10   19    7 o   66.310   0.6355  4265.90   81.778  4124.91  114.196  4414.32  117.165   65.186   0.9025   67.434   0.8951 -2.248116 1.271049 
1 1 1   10   19    8 o  173.666   1.0953 29277.37  369.136 28813.16  514.684 29769.09  529.714  172.249   1.5393  175.082   1.5586 -2.832794 2.190571 
1 1 1   10   19    9 o  208.197   1.2150 42100.68  491.051 42217.61  694.717 41983.94  694.184  208.486   1.7166  207.908   1.7200 0.5780487 2.430059 
1 1 1   10   19   10 o  193.056   1.1685 36200.08  437.856 36214.20  615.277 36185.59  623.245  193.095   1.6415  193.017   1.6634 0.7807922E-01 2.336957 
1 1 1   10   19   11 o   47.738   0.7362  2216.69   66.337  2229.85   84.608  2195.70  106.876   47.925   0.9095   47.552   1.1578 0.3725281 1.472311 
1 1 1   10   19   12 o  196.845   1.4023 37696.60  533.323 37386.59  791.970 37953.84  721.423  196.088   2.0806  197.602   1.8808 -1.514343 2.804679 
1 1 1   10   19   13 o  139.242   1.0646 18835.10  287.701 19290.80  409.236 18389.78  404.546  140.908   1.4961  137.576   1.5148 3.331848 2.129110 
1 1 1   10   19   14 o   92.290   0.7897  8274.94  141.406  8165.41  202.388  8379.41  197.652   91.692   1.1371   92.888   1.0962 -1.195808 1.579397 
1 1 1   10   19   15 o  118.569   0.9176 13662.51  211.097 13541.08  302.691 13777.49  294.548  118.054   1.3209  119.084   1.2742 -1.030426 1.835273 
1 1 1   10   19   16 o   92.174   0.8242  8251.18  147.446  8092.96  206.696  8415.12  210.395   91.274   1.1666   93.073   1.1645 -1.799149 1.648341 
1 1 1   10   19   17 o   35.161   0.8541  1201.25   58.253  1139.09   81.875  1264.97   82.900   34.240   1.2319   36.083   1.1835 -1.843693 1.708284 
1 1 1   10   19   18 o   24.397   1.1735  578.337   55.465  631.684   79.877  528.664   77.077   25.484   1.6147   23.310   1.7034 2.173298 2.347064 
1 1 1   10   19   19 o   53.596   0.7776  2790.89   80.767  2795.25  117.648  2787.01  111.079   53.634   1.1300   53.558   1.0684 0.7569504E-01 1.555137 
1 1 1   10   19   20 o   43.720   0.8453  1859.99   71.648  1815.69  103.249  1901.13   99.506   43.215   1.2308   44.224   1.1591 -1.009247 1.690670 
1 1 1   10   19   21 o   34.571   1.0078  1156.02   67.362  1311.32   99.290  1023.57   91.693   36.711   1.3933   32.430   1.4565 4.280773 2.015621 
1 1 1   10   19   22 o   90.640   0.8968  7997.47  157.768  7906.13  223.917  8087.53  222.327   90.124   1.2799   91.157   1.2564 -1.032791 1.793543 
1 1 1   10   19   23 o   76.834   0.8270  5744.94  123.260  5829.33  178.074  5667.32  170.786   77.372   1.1856   76.296   1.1531 1.076088 1.653926 
1 1 1   10   19   24 o   21.863   1.5063  472.543   63.153  565.018   90.376  384.302   88.283   23.989   1.9408   19.738   2.3042 4.251095 3.012622 
1 1 1   10   19   25 o   20.014   1.5625  396.948   59.971  393.717   91.990  399.336   79.088   19.912   2.3799   20.116   2.0254 -0.2043209 3.125074 
1 1 1   10   19   26 o   10.320   2.4618   95.820   61.650  160.328   90.856   40.776   83.927   12.254   3.5891   8.3862   3.3704 3.867814 4.923544 
1 1 1   10   19   27 o   25.117   1.3458  633.972   64.248  590.591   99.551  664.938   84.109   24.304   2.1101   25.930   1.6710 -1.626198 2.691575 
1 1 1   10   19   28 o   8.0371   2.3752   15.686   65.315 -47.6587   97.221   67.797   88.180   6.9847   3.1955   9.0895   3.5149 -2.104805 4.750360 
1 1 1   10   19   29 o   20.239   2.4873  462.017   91.814  419.366  146.121  489.842  118.023   18.910   4.0989   21.568   2.8189 -2.658108 4.974666 
1 1 1   10   20    0 o   90.153   0.7273  7888.73  127.268  7836.48  178.970  7942.19  181.014   89.851   1.0261   90.455   1.0309 -0.6039886 1.454531 
1 1 1   10   20    1 o  270.274   1.3108 70927.73  687.670 71193.95  967.476 70655.92  977.628  270.788   1.8405  269.761   1.8669 1.026489 2.621651 
1 1 1   10   20    2 o   59.791   0.5962  3468.44   69.160  3418.85   96.081  3521.76   99.630   59.348   0.8340   60.234   0.8521 -0.8864784 1.192312 
1 1 1   10   20    3 o  111.780   0.8545 12127.71  185.407 12286.18  264.116 11973.75  260.336  112.499   1.2094  111.060   1.2076 1.439568 1.709073 
1 1 1   10   20    4 o  132.795   0.9373 17117.19  241.545 17015.20  337.038 17224.89  346.345  132.389   1.3115  133.201   1.3395 -0.8126221 1.874619 
1 1 1   10   20    5 o  203.112   1.1758 40060.37  463.549 40399.68  653.609 39716.98  657.522  203.978   1.6507  202.246   1.6748 1.732010 2.351553 
1 1 1   10   20    6 o  168.213   1.1096 27499.49  361.614 27061.39  525.901 27892.39  498.035  166.938   1.6229  169.487   1.5138 -2.548950 2.219272 
1 1 1   10   20    7 o  190.698   1.1427 35317.48  422.987 35478.00  596.558 35155.17  599.844  191.134   1.6079  190.262   1.6241 0.8726959 2.285394 
1 1 1   10   20    8 f  172.963   1.1009 29054.56  369.619 29232.99  521.248 28874.10  524.206  173.498   1.5477  172.428   1.5661 1.069489 2.201842 
1 1 1   10   20    9 o  241.727   1.5397 56847.97  717.882 56133.68  1074.21 57424.43  965.021  240.337   2.3025  243.117   2.0448 -2.779800 3.079436 
1 1 1   10   20   10 o   61.035   0.6463  3620.25   76.471  3531.99  110.248  3702.07  106.160   60.317   0.9416   61.753   0.8856 -1.436092 1.292639 
1 1 1   10   20   11 o  184.926   1.1153 33230.90  399.659 33080.48  582.231 33364.92  549.586  184.525   1.6255  185.327   1.5277 -0.8022308 2.230677 
1 1 1   10   20   12 o  136.756   0.9697 18169.71  257.203 18088.01  371.029 18245.28  356.863  136.457   1.4007  137.054   1.3414 -0.5966797 1.939386 
1 1 1   10   20   13 o   40.158   0.6937  1565.70   54.071  1539.60   75.915  1592.58   77.034   39.819   0.9822   40.498   0.9799 -0.6792679 1.387381 
1 1 1   10   20   14 o   35.901   0.7497  1251.18   52.193  1331.72   74.664  1174.22   72.988   37.031   1.0387   34.772   1.0813 2.259552 1.499374 
1 1 1   10   20   15 o   42.838   0.7068  1782.83   58.676  1793.72   80.851  1770.70   85.288   42.977   0.9691   42.699   1.0290 0.2781944 1.413515 
1 1 1   10   20   16 o   46.681   0.7077  2119.02   64.050  2043.05   91.823  2191.01   89.388   45.864   1.0314   47.498   0.9695 -1.633701 1.415499 
1 1 1   10   20   17 o   19.150   1.4645  366.971   52.458  257.507   74.830  472.749   73.560   16.255   2.3716   22.046   1.7189 -5.791103 2.928982 
1 1 1   10   20   18 o   40.692   0.8131  1610.39   64.157  1531.85   90.986  1688.05   90.480   39.703   1.1806   41.681   1.1183 -1.977657 1.626125 
1 1 1   10   20   19 o   47.197   0.8059  2162.86   73.658  2191.41  108.319  2138.31  100.460   47.485   1.1751   46.910   1.1032 0.5751534 1.611848 
1 1 1   10   20   20 o   47.641   0.8141  2203.75   75.194  2253.79  109.496  2159.08  103.444   48.151   1.1715   47.131   1.1307 1.020004 1.628100 
1 1 1   10   20   21 o   52.289   0.8179  2662.70   82.768  2599.60  121.053  2718.09  113.421   51.703   1.2061   52.876   1.1050 -1.173504 1.635800 
1 1 1   10   20   22 o   43.495   0.8522  1840.49   71.676  1850.10  106.269  1832.47   97.084   43.594   1.2558   43.396   1.1525 0.1979637 1.704446 
1 1 1   10   20   23 o   26.421   1.2344  697.597   61.847  587.378   93.074  784.744   82.761   24.485   1.9582   28.356   1.5035 -3.870600 2.468841 
1 1 1   10   20   24 f   38.600   0.9312  1454.38   69.764  1429.52   98.955  1478.94   98.369   38.269   1.3321   38.930   1.3017 -0.6608582 1.862465 
1 1 1   10   20   25 o   22.468   1.3935  489.634   59.966  551.344   94.574  448.143   77.547   23.613   2.0633   21.323   1.8735 2.289684 2.786986 
1 1 1   10   20   26 f   31.569   1.1037  981.089   67.400  987.488   99.666  975.698   91.492   31.645   1.6225   31.493   1.4966 0.1525745 2.207304 
1 1 1   10   20   27 o   24.859   1.3423  605.907   64.065  677.226   99.970  556.208   83.453   26.055   1.9765   23.663   1.8168 2.392860 2.684684 
1 1 1   10   20   28 o   14.762   2.3666  238.989   66.072  256.198   98.014  224.655   89.452   15.232   3.4010   14.293   3.2919 0.9384861 4.733212 
1 1 1   10   20   29 o   28.623   1.7507  842.681   94.469  879.542  154.014  820.448  119.613   28.911   2.7443   28.335   2.1746 0.5759068 3.501472 
1 1 1   10   21    0 o  193.167   1.1355 36229.75  425.711 36430.22  597.931 36023.66  606.247  193.709   1.5901  192.624   1.6213 1.085022 2.270964 
1 1 1   10   21    1 o  141.342   1.0679 19311.62  286.781 18996.66  368.063 19798.28  457.518  139.885   1.3555  142.799   1.6505 -2.913269 2.135752 
1 1 1   10   21    2 o   99.879   0.7949  9683.13  154.109  9765.91  219.445  9602.58  216.473  100.300   1.1271   99.458   1.1212 0.8421783 1.589806 
1 1 1   10   21    3 o  206.860   1.1909 41548.16  478.216 41442.28  675.551 41654.50  677.051  206.596   1.6845  207.124   1.6839 -0.5283203 2.381845 
1 1 1   10   21    4 o  261.035   1.3061 66164.64  661.792 66997.73  939.366 65343.67  932.502  262.667   1.8423  259.404   1.8519 3.263336 2.612187 
1 1 1   10   21    5 o   51.352   0.5791  2557.84   57.701  2495.77   80.185  2624.49   83.095   50.706   0.8146   51.997   0.8232 -1.291157 1.158175 
1 1 1   10   21    6 o  107.189   0.8423 11159.99  175.167 10954.49  250.368 11357.02  245.160  106.221   1.2142  108.157   1.1677 -1.935257 1.684601 
1 1 1   10   21    7 o   61.407   0.6331  3658.54   75.430  3598.00  104.737  3723.78  108.724   60.880   0.8863   61.934   0.9043 -1.054749 1.266204 
1 1 1   10   21    8 o  163.573   1.0673 25983.31  338.893 25770.57  478.827 26196.85  479.710  162.902   1.5142  164.244   1.5046 -1.342331 2.134638 
1 1 1   10   21    9 f  188.979   1.2141 34655.32  443.601 35052.04  659.204 34326.98  599.702  189.960   1.7877  187.997   1.6433 1.963165 2.428226 
1 1 1   10   21   10 o   73.916   0.6888  5301.43   98.793  5413.16  142.109  5196.92  137.437   74.669   0.9804   73.163   0.9677 1.506302 1.377577 
1 1 1   10   21   11 o  175.925   1.1334 30070.45  387.063 29981.38  546.930 30159.82  547.851  175.664   1.6039  176.186   1.6019 -0.5222321 2.266832 
1 1 1   10   21   12 o   59.136   0.6542  3395.22   75.100  3355.84  105.668  3435.42  106.756   58.790   0.9259   59.483   0.9246 -0.6929893 1.308490 
1 1 1   10   21   13 f   33.423   0.7855  1085.52   50.930  1123.29   71.735  1047.13   72.321   34.010   1.0866   32.836   1.1346 1.174007 1.570999 
1 1 1   10   21   14 o   98.669   0.8389  9453.51  160.584  9362.66  222.943  9551.47  231.499   98.178   1.1698   99.161   1.2027 -0.9828339 1.677755 
1 1 1   10   21   15 o   41.706   0.7100  1689.44   57.472  1711.88   81.085  1666.79   81.472   41.984   0.9949   41.427   1.0131 0.5571632 1.419955 
1 1 1   10   21   16 o   58.855   0.6966  3360.45   79.534  3475.58  114.979  3254.83  110.134   59.821   0.9901   57.890   0.9801 1.930508 1.393166 
1 1 1   10   21   17 o   73.826   0.7705  5294.44  110.415  5340.94  156.885  5248.79  155.425   74.147   1.0900   73.505   1.0893 0.6424561 1.540977 
1 1 1   10   21   18 o   47.327   0.7658  2176.60   70.344  2160.42  100.122  2192.37   98.854   47.153   1.0938   47.501   1.0721 -0.3485146 1.531608 
1 1 1   10   21   19 o   38.597   0.8712  1442.91   65.137  1575.30   95.237  1326.55   89.286   40.255   1.2188   36.939   1.2452 3.315926 1.742378 
1 1 1   10   21   20 f   47.596   0.8258  2201.26   76.178  2219.23  111.112  2185.31  104.641   47.777   1.1980   47.415   1.1369 0.3626251 1.651626 
1 1 1   10   21   21 o   47.641   0.8316  2209.60   76.727  2168.81  111.766  2245.96  105.520   47.221   1.2193   48.060   1.1310 -0.8396111 1.663119 
1 1 1   10   21   22 o   69.034   0.7985  4628.97  106.774  4761.79  157.140  4515.06  145.531   69.948   1.1573   68.121   1.1006 1.827377 1.597049 
1 1 1   10   21   23 o   26.618   1.1685  693.495   59.435  687.194   92.332  697.953   77.665   26.497   1.7951   26.738   1.4964 -0.2406998 2.336967 
1 1 1   10   21   24 o   41.629   0.8971  1692.12   72.403  1592.65  102.178  1792.44  102.611   40.394   1.3031   42.865   1.2332 -2.471485 1.794105 
1 1 1   10   21   25 o   40.209   0.8961  1584.22   69.683  1543.07  102.269  1619.87   95.204   39.706   1.3268   40.712   1.2047 -1.005848 1.792121 
1 1 1   10   21   26 o   19.356   1.7065  384.335   62.714  319.536   93.073  438.220   84.874   17.746   2.7019   20.967   2.0854 -3.220991 3.413064 
1 1 1   10   21   27 o   18.897   1.7352  358.727   63.193  390.856   96.622  334.712   83.535   19.601   2.5395   18.194   2.3653 1.406803 3.470365 
1 1 1   10   21   28 o   20.133   1.7362  414.967   67.673  419.692   99.583  410.914   92.247   20.203   2.5393   20.064   2.3685 0.1391068 3.472429 
1 1 1   10   21   29 o   47.429   1.2141  2227.01  109.903  2430.62  174.825  2093.96  141.319   49.084   1.8349   45.774   1.5904 3.309277 2.428202 
1 1 1   10   22    0 o  258.960   1.3608 65050.80  680.177 64488.37  912.699 65753.30  1020.06  257.709   1.8245  260.212   2.0195 -2.502625 2.721547 
1 1 1   10   22    1 o   43.340   0.5724  1823.58   48.139  1770.47   68.053  1876.76   68.104   42.708   0.8209   43.971   0.7979 -1.263458 1.144751 
1 1 1   10   22    2 o  263.580   1.3093 67465.20  669.843 67666.20  941.630 67259.29  953.076  263.978   1.8376  263.182   1.8656 0.7967834 2.618584 
1 1 1   10   22    3 o  128.840   0.9142 16115.18  228.634 16077.38  321.642 16153.79  325.059  128.688   1.2876  128.993   1.2982 -0.3051910 1.828406 
1 1 1   10   22    4 o   54.574   0.5867  2889.71   62.137  2971.05   88.943  2812.16   86.845   55.324   0.8282   53.824   0.8312 1.499718 1.173368 
1 1 1   10   22    5 o   44.846   0.5708  1950.91   49.671  1881.44   69.273  2024.42   71.259   44.025   0.8106   45.667   0.8038 -1.642326 1.141586 
1 1 1   10   22    6 o  129.035   0.9277 16166.56  232.365 16418.02  329.350 15917.33  327.882  130.034   1.3048  128.036   1.3192 1.998703 1.855478 
1 1 1   10   22    7 o   66.816   0.6485  4333.25   84.102  4294.40  117.681  4373.80  120.236   66.511   0.9115   67.122   0.9228 -0.6118774 1.297053 
1 1 1   10   22    8 o   82.232   0.7211  6562.78  115.087  6666.11  164.747  6464.28  160.840   82.864   1.0242   81.600   1.0154 1.263893 1.442237 
1 1 1   10   22    9 o   49.964   0.6197  2423.84   60.079  2409.93   86.000  2437.09   83.966   49.824   0.8892   50.104   0.8633 -0.2803192 1.239341 
1 1 1   10   22   10 o  113.347   0.9099 12475.02  200.152 12384.14  279.511 12570.66  286.744  112.924   1.2751  113.770   1.2984 -0.8459396 1.819799 
1 1 1   10   22   11 o  141.938   1.0661 19572.99  293.738 19714.50  415.425 19431.50  415.393  142.452   1.5023  141.425   1.5131 1.027115 2.132230 
1 1 1   10   22   12 o   45.537   0.6596  2013.14   58.296  1998.21   81.627  2028.69   83.286   45.365   0.9269   45.709   0.9387 -0.3443794 1.319196 
1 1 1   10   22   13 o  103.721   0.8785 10448.17  176.868 10344.44  248.057 10555.44  252.255  103.198   1.2383  104.245   1.2466 -1.046661 1.757065 
1 1 1   10   22   14 o   85.038   0.7681  7021.40  126.750  7110.74  181.982  6937.23  176.641   85.562   1.0957   84.513   1.0767 1.049301 1.536170 
1 1 1   10   22   15 o   30.681   0.8881  915.675   52.821  943.418   73.562  886.146   75.894   31.162   1.2161   30.200   1.2946 0.9625778 1.776178 
1 1 1   10   22   16 o  132.386   1.1698 17040.91  300.596 17242.89  428.365 16844.96  421.921  133.158   1.6572  131.614   1.6514 1.544617 2.339583 
1 1 1   10   22   17 o   25.820   1.0434  647.292   52.168  660.426   76.840  636.062   71.054   26.061   1.5189   25.579   1.4310 0.4825954 2.086826 
1 1 1   10   22   18 o   60.009   0.7427  3497.54   86.470  3348.28  121.150  3652.53  123.458   58.704   1.0631   61.314   1.0373 -2.610672 1.485331 
1 1 1   10   22   19 o   40.479   0.8354  1591.98   65.625  1642.56   94.013  1543.92   91.649   41.106   1.1782   39.852   1.1847 1.253624 1.670837 
1 1 1   10   22   20 o   69.621   0.7986  4714.84  107.862  4560.25  153.402  4865.99  151.691   68.490   1.1538   70.753   1.1045 -2.263527 1.597230 
1 1 1   10   22   21 o   18.468   1.7667  339.400   62.275  296.172   93.034  374.492   83.825   17.366   2.7597   19.569   2.2066 -2.202852 3.533484 
1 1 1   10   22   22 o   40.633   0.8734  1603.13   68.561  1652.48  102.738  1563.51   92.060   41.189   1.2849   40.076   1.1834 1.113476 1.746827 
1 1 1   10   22   23 o   46.468   0.8058  2102.78   72.086  2108.24  109.218  2098.57   95.955   46.511   1.2097   46.425   1.0648 0.8546829E-01 1.611537 
1 1 1   10   22   24 o   47.008   0.8418  2148.38   76.674  2273.46  112.743  2040.75  104.581   48.274   1.2031   45.742   1.1778 2.532501 1.683668 
1 1 1   10   22   25 o   27.167   1.1924  730.664   62.220  695.305   93.737  758.512   83.189   26.544   1.8192   27.789   1.5422 -1.244608 2.384883 
1 1 1   10   22   26 o   38.926   0.9089  1482.51   68.509  1531.21  101.079  1441.13   93.175   39.506   1.3181   38.346   1.2517 1.159473 1.817720 
1 1 1   10   22   27 o   10.152   2.5636  100.618   65.108   66.220   98.993  126.842   86.434   9.3691   3.6947   10.936   3.5549 -1.566742 5.127142 
1 1 1   10   22   28 o   24.343   1.4260  595.524   67.145  620.562  100.004  574.972   90.606   24.779   2.0790   23.908   1.9523 0.8714714 2.852029 
1 1 1   10   22   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   23    0 o  154.613   1.0236 23207.52  307.191 23467.32  436.211 22951.92  432.679  155.472   1.4454  153.755   1.4497 1.716873 2.047110 
1 1 1   10   23    1 o  147.807   0.9984 21210.23  286.472 21196.09  405.619 21224.31  404.648  147.757   1.4142  147.856   1.4099 -0.9846497E-01 1.996894 
1 1 1   10   23    2 o   58.218   0.7235  3192.03   76.485  3026.48   91.911  3564.82  137.925   55.838   0.8480   60.598   1.1725 -4.760002 1.447012 
1 1 1   10   23    3 o  210.368   1.2018 42973.01  490.775 42830.69  691.648 43117.33  696.498  210.017   1.6965  210.718   1.7028 -0.7012482 2.403672 
1 1 1   10   23    4 o   67.491   0.6278  4421.69   82.243  4422.84  115.790  4420.52  116.834   67.499   0.8837   67.482   0.8919 0.1781464E-01 1.255558 
1 1 1   10   23    5 o   60.079   0.6102  3503.00   71.148  3543.16  101.885  3464.78   99.399   60.415   0.8688   59.743   0.8571 0.6718330 1.220400 
1 1 1   10   23    6 o  109.830   0.8488 11710.62  180.946 11644.33  253.465 11779.52  258.400  109.513   1.1923  110.146   1.2085 -0.6333923 1.697684 
1 1 1   10   23    7 o   60.040   0.6235  3500.19   72.645  3529.49  101.571  3469.50  103.941   60.298   0.8678   59.783   0.8957 0.5150223 1.247096 
1 1 1   10   23    8 o  100.279   0.8084  9763.30  157.357  9795.94  222.721  9730.78  222.354  100.446   1.1423  100.111   1.1442 0.3346558 1.616759 
1 1 1   10   23    9 o   45.403   0.6166  2000.87   54.244  2007.88   79.226  1994.69   74.426   45.477   0.8974   45.328   0.8458 0.1489983 1.233224 
1 1 1   10   23   10 o   49.143   0.6295  2344.67   60.053  2367.99   85.210  2321.65   84.647   49.386   0.8888   48.900   0.8917 0.4855995 1.259059 
1 1 1   10   23   11 o   39.005   0.6915  1477.84   52.337  1444.75   74.467  1510.14   73.573   38.573   0.9945   39.437   0.9611 -0.8638535 1.383003 
1 1 1   10   23   12 o   22.412   1.0590  493.179   45.511  571.470   63.635  411.201   65.116   24.254   1.3516   20.570   1.6308 3.684443 2.118080 
1 1 1   10   23   13 o   43.665   0.6701  1849.34   56.770  1924.95   81.880  1779.35   78.780   44.523   0.9474   42.807   0.9481 1.716911 1.340280 
1 1 1   10   23   14 o   48.240   0.6630  2260.62   62.062  2215.53   88.256  2304.72   87.289   47.764   0.9519   48.717   0.9230 -0.9526443 1.325911 
1 1 1   10   23   15 f   54.526   0.6865  2885.08   72.603  2831.86  100.391  2943.44  105.126   53.999   0.9577   55.052   0.9837 -1.052574 1.372928 
1 1 1   10   23   16 o   15.823   1.6171  243.837   49.658  235.829   69.488  252.195   70.989   15.558   2.3009   16.089   2.2730 -0.5314980 3.234274 
1 1 1   10   23   17 o   27.598   1.0074  742.333   53.758  717.436   78.813  763.995   73.514   27.162   1.4948   28.034   1.3509 -0.8724060 2.014736 
1 1 1   10   23   18 o   35.906   0.8791  1252.44   61.227  1324.73   87.645  1183.53   85.568   36.918   1.2230   34.894   1.2633 2.024456 1.758274 
1 1 1   10   23   19 f   50.198   0.7797  2450.81   75.915  2391.92  108.681  2506.94  106.087   49.607   1.1286   50.789   1.0760 -1.182014 1.559348 
1 1 1   10   23   20 o   72.305   0.8069  5084.18  113.198  5024.86  161.943  5140.85  158.290   71.890   1.1605   72.720   1.1213 -0.8291626 1.613707 
1 1 1   10   23   21 o   42.635   0.8749  1782.30   71.799  1636.39  105.870  1906.54   97.698   40.999   1.3303   44.272   1.1368 -3.273018 1.749853 
1 1 1   10   23   22 o   42.421   0.8689  1757.32   71.280  1687.66  104.161  1818.68   97.754   41.621   1.2892   43.221   1.1651 -1.600105 1.737702 
1 1 1   10   23   23 o   61.738   0.7870  3715.83   94.154  3664.44  136.737  3762.17  129.839   61.324   1.1486   62.152   1.0762 -0.8272400 1.574028 
1 1 1   10   23   24 o   24.454   1.3144  586.787   62.305  632.872   90.271  544.861   86.101   25.374   1.8327   23.535   1.8847 1.838852 2.628850 
1 1 1   10   23   25 o   11.332   2.4783  134.860   61.120  101.629   92.126  160.985   81.686   10.360   3.6658   12.304   3.3361 -1.943542 4.956582 
1 1 1   10   23   26 o   16.657   2.0564  319.469   60.685  154.162   90.982  451.957   81.451   11.995   3.6112   21.318   1.9683 -9.322432 4.112788 
1 1 1   10   23   27 o   20.497   1.6581  423.149   65.606  454.285   99.283  399.015   87.409   21.132   2.4202   19.861   2.2672 1.271322 3.316282 
1 1 1   10   23   28 o   25.689   1.3693  659.258   67.938  716.314  102.561  614.646   90.690   26.649   1.9826   24.729   1.8893 1.920641 2.738588 
1 1 1   10   23   29 o   17.847   2.8256  377.439   94.465  388.641  146.241  369.418  123.747   17.834   4.2790   17.860   3.6914 -0.2554321E-01 5.651165 
1 1 1   10   24    0 o  241.200   1.2652 56496.71  592.293 56660.30  831.493 56328.20  843.903  241.555   1.7733  240.844   1.8051 0.7110291 2.530363 
1 1 1   10   24    1 o  197.169   1.1801 37749.21  451.673 37710.30  636.771 37788.61  640.773  197.067   1.6646  197.271   1.6733 -0.2040558 2.360245 
1 1 1   10   24    2 o  141.558   0.9737 19454.48  267.560 19280.92  376.485 19631.61  380.319  140.920   1.3763  142.196   1.3778 -1.275742 1.947452 
1 1 1   10   24    3 o   59.848   0.5980  3476.90   69.472  3474.28   97.868  3479.57   98.633   59.825   0.8427   59.871   0.8487 -0.4547501E-01 1.196013 
1 1 1   10   24    4 o   76.229   0.6659  5641.08   98.529  5569.56  139.081  5713.14  139.604   75.744   0.9459   76.714   0.9375 -0.9702835 1.331764 
1 1 1   10   24    5 o   88.927   0.7457  7676.55  128.725  7569.70  180.958  7786.02  183.151   88.301   1.0557   89.554   1.0536 -1.252838 1.491492 
1 1 1   10   24    6 o   78.169   0.6888  5932.61  104.482  6117.77  148.083  5749.06  147.440   79.384   0.9610   76.954   0.9870 2.429817 1.377546 
1 1 1   10   24    7 o  143.273   1.0001 19924.80  278.084 19538.34  388.181 20332.21  398.565  141.847   1.4098  144.700   1.4189 -2.852570 2.000219 
1 1 1   10   24    8 o  123.377   0.9209 14779.19  220.527 14606.27  309.280 14958.03  314.529  122.644   1.2991  124.111   1.3055 -1.467690 1.841752 
1 1 1   10   24    9 o   96.446   0.7874  9032.21  147.412  8967.95  207.906  9097.17  209.044   96.101   1.1145   96.791   1.1126 -0.6899643 1.574775 
1 1 1   10   24   10 o   95.852   0.8040  8921.03  149.490  8892.34  207.212  8952.16  215.876   95.692   1.1155   96.012   1.1583 -0.3193588 1.608099 
1 1 1   10   24   11 o  114.281   0.9022 12690.73  200.040 12494.22  286.370 12878.00  279.553  113.415   1.3008  115.147   1.2507 -1.732033 1.804484 
1 1 1   10   24   12 o   84.068   0.7437  6859.01  121.303  6995.25  174.790  6732.42  168.480   84.872   1.0609   83.263   1.0424 1.608894 1.487329 
1 1 1   10   24   13 o  102.170   0.8425 10140.05  167.083 10130.16  235.243 10150.12  237.353  102.120   1.1867  102.220   1.1962 -0.9990692E-01 1.684955 
1 1 1   10   24   14 o   33.787   0.7965  1109.70   52.197  1076.32   74.508  1141.88   73.147   33.287   1.1531   34.287   1.0990 -1.000099 1.592931 
1 1 1   10   24   15 o   92.917   0.8272  8387.35  149.201  8370.02  210.418  8404.88  211.590   92.821   1.1678   93.014   1.1719 -0.1928177 1.654417 
1 1 1   10   24   16 o   85.466   0.8283  7095.32  137.401  7215.32  196.070  6979.52  192.604   86.175   1.1721   84.756   1.1707 1.419731 1.656579 
1 1 1   10   24   17 o   30.431   0.9343  899.814   55.162  913.439   79.448  887.132   76.650   30.652   1.3352   30.209   1.3071 0.4435806 1.868512 
1 1 1   10   24   18 o   9.4890   2.3515   74.823   54.565  105.687   78.576   46.076   75.832   10.515   3.3868   8.4628   3.2632 2.052370 4.703057 
1 1 1   10   24   19 f   54.167   0.7623  2852.43   80.120  2765.17  113.496  2939.11  113.118   53.340   1.0961   54.994   1.0596 -1.654476 1.524568 
1 1 1   10   24   20 o   37.201   0.9369  1350.70   67.346  1295.13   98.932  1398.70   91.937   36.481   1.3970   37.922   1.2489 -1.440605 1.873894 
1 1 1   10   24   21 o   47.166   0.8266  2155.46   75.407  2269.49  112.529  2062.52  101.590   48.290   1.2004   46.042   1.1367 2.248135 1.653202 
1 1 1   10   24   22 o   16.799   1.9154  287.978   59.599  251.402   90.272  316.240   79.352   15.659   3.0794   17.939   2.2788 -2.279364 3.830891 
1 1 1   10   24   23 o   27.200   1.2016  729.586   62.597  691.036   95.237  758.906   83.058   26.541   1.8485   27.860   1.5358 -1.318628 2.403291 
1 1 1   10   24   24 o   8.9690   2.2817   23.649   60.372  148.873   90.848 -75.3854   80.791   11.972   3.6095   5.9656   2.7921 6.006797 4.563407 
1 1 1   10   24   25 o   33.083   1.0394  1079.25   66.181  1045.03   99.404  1106.49   88.696   32.582   1.5717   33.585   1.3605 -1.003605 2.078719 
1 1 1   10   24   26 o   17.255   1.9725  322.763   61.087  242.434   94.420  380.593   80.114   14.998   3.3299   19.511   2.1153 -4.512367 3.944917 
1 1 1   10   24   27 o   11.225   2.5570  136.262   63.873  115.063   92.543  155.548   88.270   10.566   3.6789   11.884   3.5523 -1.318389 5.114024 
1 1 1   10   24   28 o   19.836   1.7445  396.273   66.266  497.821  102.608  323.615   86.793   21.993   2.4034   17.678   2.5292 4.314812 3.489031 
1 1 1   10   25    0 o  183.962   1.1300 32862.52  403.532 33047.14  569.721 32676.64  571.644  184.480   1.5909  183.443   1.6053 1.037781 2.260099 
1 1 1   10   25    1 o  112.168   0.8450 12211.50  183.935 12082.71  256.528 12347.76  263.873  111.559   1.1846  112.776   1.2054 -1.216454 1.690000 
1 1 1   10   25    2 f  153.275   1.0515 22812.83  312.349 22812.33  429.760 22813.40  454.755  153.275   1.4444  153.275   1.5284 0.4119873E-03 2.102940 
1 1 1   10   25    3 o  116.069   0.8669 13080.97  195.316 13139.70  274.855 13021.05  277.602  116.333   1.2171  115.806   1.2349 0.5270157 1.733884 
1 1 1   10   25    4 o   60.263   0.5942  3525.14   69.512  3495.73   97.786  3555.19   98.832   60.009   0.8395   60.517   0.8413 -0.5082130 1.188476 
1 1 1   10   25    5 o   98.770   0.7946  9466.01  152.298  9282.89  211.830  9661.95  219.120   97.782   1.1160   99.758   1.1315 -1.976036 1.589282 
1 1 1   10   25    6 o   97.678   0.8023  9251.13  152.012  8954.70  210.072  9576.95  220.242   96.038   1.1268   99.318   1.1424 -3.280342 1.604609 
1 1 1   10   25    7 o   93.985   0.7858  8574.41  143.348  8751.24  204.414  8403.31  201.076   94.939   1.1092   93.032   1.1134 1.906517 1.571625 
1 1 1   10   25    8 o   44.717   0.6382  1941.60   55.381  1930.22   79.284  1952.44   77.390   44.589   0.9160   44.845   0.8890 -0.2563019 1.276482 
1 1 1   10   25    9 o  160.495   1.2457 25032.51  388.087 25004.26  549.003 25060.73  548.674  160.405   1.7632  160.586   1.7601 -0.1813507 2.491334 
1 1 1   10   25   10 o   73.761   0.7081  5283.82  101.284  5264.78  146.428  5301.30  140.246   73.633   1.0244   73.890   0.9778 -0.2564316 1.416165 
1 1 1   10   25   11 o   66.008   0.6814  4231.08   87.304  4186.47  123.753  4275.29  123.182   65.661   0.9709   66.354   0.9563 -0.6933517 1.362818 
1 1 1   10   25   12 o   25.631   0.9332  651.077   45.483  525.628   66.456  761.619   62.383   23.258   1.4719   28.003   1.1476 -4.744576 1.866446 
1 1 1   10   25   13 o   63.550   0.6884  3922.06   84.907  3924.38  121.105  3919.81  119.075   63.568   0.9814   63.532   0.9655 0.3648376E-01 1.376747 
1 1 1   10   25   14 o   96.881   0.8612  9118.70  161.938  9110.93  230.680  9126.25  227.384   96.840   1.2271   96.923   1.2086 -0.8276367E-01 1.722343 
1 1 1   10   25   15 o   26.191   1.2275  695.638   56.013  600.976  101.750  736.798   67.094   24.844   2.1098   27.537   1.2552 -2.692472 2.454938 
1 1 1   10   25   16 o   65.865   0.9053  4252.15  110.063  4098.13  185.498  4335.83  136.733   64.923   1.4719   66.808   1.0543 -1.884377 1.810550 
1 1 1   10   25   17 o   29.415   0.9618  840.583   54.670  848.430   81.437  834.145   73.763   29.538   1.4203   29.293   1.2972 0.2451706 1.923526 
1 1 1   10   25   18 o   76.530   0.7937  5690.73  117.859  5749.40  169.651  5635.99  163.856   76.910   1.1363   76.150   1.1085 0.7596817 1.587454 
1 1 1   10   25   19 o   72.232   0.7866  5070.67  110.260  5102.98  158.182  5040.14  153.774   72.455   1.1247   72.010   1.1001 0.4451294 1.573234 
1 1 1   10   25   20 o   38.126   0.9149  1409.88   67.543  1473.52   99.880  1356.25   91.687   38.914   1.3222   37.338   1.2650 1.576565 1.829895 
1 1 1   10   25   21 o   9.8761   2.4703   85.121   59.865   58.397   90.835  105.642   79.597   9.2799   3.5733   10.472   3.4117 -1.192493 4.940517 
1 1 1   10   25   22 o   14.819   2.1772  228.202   60.081  209.016   91.359  242.822   79.754   14.193   3.3668   15.445   2.7615 -1.251698 4.354430 
1 1 1   10   25   23 o   48.980   0.8139  2345.57   77.105  2236.79  112.273  2442.68  106.076   47.891   1.2077   50.068   1.0914 -2.177593 1.627790 
1 1 1   10   25   24 o   15.433   2.0973  246.630   60.187  257.149   91.008  238.454   80.239   15.689   3.0982   15.176   2.8277 0.5123205 4.194614 
1 1 1   10   25   25 o   19.809   1.6259  387.963   62.085  453.772   93.942  336.930   82.726   21.287   2.2734   18.330   2.3249 2.957195 3.251707 
1 1 1   10   25   26 o   22.867   1.3984  517.965   61.632  552.737   94.009  491.753   81.621   23.509   2.0600   22.226   1.8918 1.283361 2.796874 
1 1 1   10   25   27 o   21.512   1.5681  467.470   65.249  484.588   97.068  453.360   88.129   21.840   2.2896   21.184   2.1432 0.6568813 3.136110 
1 1 1   10   25   28 o   13.963   2.6428  219.030   76.683  130.909  103.298  327.203  114.449   10.964   3.8814   16.962   3.5879 -5.998719 5.285684 
1 1 1   10   26    0 o   87.378   0.7238  7409.79  122.721  7327.48  171.041  7497.12  176.180   86.878   1.0142   87.878   1.0328 -0.9995651 1.447501 
1 1 1   10   26    1 o  107.836   0.8261 11289.99  172.918 11294.49  243.891 11285.45  245.199  107.857   1.1649  107.814   1.1716 0.4334259E-01 1.652147 
1 1 1   10   26    2 o  250.400   1.3001 60889.18  631.817 60164.22  883.473 61648.09  903.927  248.876   1.8287  251.924   1.8484 -3.048264 2.600159 
1 1 1   10   26    3 f   96.828   0.7889  9102.16  148.269  9183.23  210.548  9022.42  208.831   97.256   1.1152   96.400   1.1160 0.8553162 1.577706 
1 1 1   10   26    4 o   51.761   0.5971  2603.38   59.908  2545.35   86.464  2656.96   83.082   51.206   0.8699   52.317   0.8181 -1.111156 1.194128 
1 1 1   10   26    5 o  198.466   1.1940 38251.51  459.951 37971.44  644.406 38542.37  656.707  197.727   1.6789  199.206   1.6983 -1.479385 2.388066 
1 1 1   10   26    6 o  123.629   0.9231 14842.24  221.519 15029.44  312.944 14654.24  313.607  124.410   1.2958  122.847   1.3151 1.563553 1.846244 
1 1 1   10   26    7 o   72.986   0.6729  5171.51   95.329  5155.38  133.873  5188.10  135.779   72.870   0.9464   73.101   0.9569 -0.2305908 1.345824 
1 1 1   10   26    8 o   87.558   0.7503  7437.78  127.454  7263.61  176.659  7626.85  184.065   86.490   1.0522   88.626   1.0699 -2.135529 1.500619 
1 1 1   10   26    9 o   55.694   0.6333  3011.79   68.453  3004.04   97.872  3019.22   95.777   55.624   0.9064   55.764   0.8848 -0.1408119 1.266676 
1 1 1   10   26   10 f   47.263   0.7713  2180.07   67.957  2208.80   85.276  2130.06  112.491   47.695   0.9211   46.830   1.2375 0.8652420 1.542604 
1 1 1   10   26   11 o   49.741   0.6339  2404.20   61.159  2339.35   87.478  2466.21   85.539   49.084   0.9181   50.398   0.8743 -1.314289 1.267832 
1 1 1   10   26   12 o   71.326   0.6864  4939.54   95.032  4851.77  133.422  5029.92  135.389   70.683   0.9724   71.969   0.9691 -1.286072 1.372862 
1 1 1   10   26   13 o  116.174   0.8938 13113.36  201.531 13055.21  287.411 13169.60  282.664  115.919   1.2773  116.429   1.2507 -0.5091629 1.787627 
1 1 1   10   26   14 o   47.656   0.8586  2243.20   74.418  2316.42   91.387  2099.08  128.213   48.838   0.9640   46.474   1.4212 2.364326 1.717292 
1 1 1   10   26   15 f   64.827   0.7021  4080.23   88.330  4149.85  126.716  4014.43  123.195   65.364   0.9987   64.289   0.9872 1.074768 1.404228 
1 1 1   10   26   16 o   46.597   0.7461  2108.79   67.479  2056.65   94.538  2162.95   96.347   46.010   1.0585   47.184   1.0519 -1.174355 1.492284 
1 1 1   10   26   17 o   58.228   0.7304  3292.10   82.527  3362.22  118.769  3226.64  114.755   58.827   1.0401   57.630   1.0258 1.197498 1.460820 
1 1 1   10   26   18 o   61.191   0.7378  3640.04   87.600  3575.83  124.987  3702.03  122.812   60.659   1.0615   61.723   1.0250 -1.063721 1.475580 
1 1 1   10   26   19 o   64.084   0.7672  3992.30   95.395  3976.24  136.772  4007.53  133.120   63.957   1.1016   64.211   1.0680 -0.2541199 1.534354 
1 1 1   10   26   20 o   20.347   1.5222  408.538   59.481  372.823   88.354  438.141   80.440   19.513   2.3325   21.181   1.9564 -1.667763 3.044354 
1 1 1   10   26   21 o   36.626   0.9391  1305.07   66.422  1325.44   99.482  1288.69   89.222   36.877   1.3897   36.375   1.2636 0.5017242 1.878266 
1 1 1   10   26   22 o   32.219   1.0297  1023.13   63.629  938.164   95.211  1091.71   85.534   30.981   1.5832   33.456   1.3170 -2.475306 2.059375 
1 1 1   10   26   23 o   24.598   1.2999  600.581   61.055  553.762   93.006  636.037   80.936   23.716   2.0202   25.479   1.6364 -1.762939 2.599830 
1 1 1   10   26   24 o   17.267   1.7508  295.307   58.386  329.408   88.061  268.559   77.992   18.142   2.5005   16.391   2.4512 1.751451 3.501594 
1 1 1   10   26   25 o   10.854   2.5005  119.456   60.700  145.972   89.784   97.133   82.379   11.719   3.5998   9.9888   3.4714 1.730124 5.000901 
1 1 1   10   26   26 o   16.089   2.0169  268.951   60.514  279.027   95.165  262.111   78.407   16.128   3.1527   16.051   2.5165 0.7760429E-01 4.033873 
1 1 1   10   26   27 o   10.273   2.4977  101.231   62.675  161.478   93.094   51.286   84.761   12.028   3.6600   8.5172   3.3997 3.511220 4.995366 
1 1 1   10   26   28 o   9.4847   2.8736   45.078   94.272   2.5792  153.180   70.988  119.605   9.2894   4.1518   9.6801   3.9739 -0.3906860 5.747125 
1 1 1   10   27    0 o   77.663   0.7864  5868.39  114.582  5905.28  144.769  5806.54  187.474   77.993   0.9562   77.332   1.2489 0.6606827 1.572895 
1 1 1   10   27    1 o   61.289   0.7174  3671.72   81.528  3561.39  136.314  3733.16  101.728   60.565   1.1595   62.013   0.8451 -1.448090 1.434739 
1 1 1   10   27    2 o   85.826   0.7165  7145.05  119.315  6926.81  165.876  7379.03  171.751   84.469   1.0116   87.182   1.0149 -2.713646 1.432947 
1 1 1   10   27    3 o   49.343   0.5866  2364.01   56.167  2337.24   80.132  2389.87   78.749   49.068   0.8413   49.618   0.8176 -0.5495682 1.173134 
1 1 1   10   27    4 o  201.930   1.2019 39602.68  471.102 40066.64  667.995 39143.57  664.496  203.107   1.6943  200.753   1.7052 2.354156 2.403779 
1 1 1   10   27    5 o   91.378   0.7559  8102.09  134.051  7893.07  186.934  8323.36  192.336   90.165   1.0680   92.590   1.0701 -2.424980 1.511895 
1 1 1   10   27    6 o   66.754   0.6491  4322.86   84.070  4494.18  120.687  4161.36  117.178   68.038   0.9138   65.470   0.9220 2.567917 1.298118 
1 1 1   10   27    7 o  134.008   0.9753 17441.11  253.680 17352.92  356.170 17531.91  361.403  133.665   1.3727  134.352   1.3857 -0.6866760 1.950531 
1 1 1   10   27    8 o  176.885   1.1336 30397.82  389.199 30247.20  545.238 30554.29  555.734  176.440   1.5919  177.330   1.6144 -0.8907471 2.267295 
1 1 1   10   27    9 o   82.868   0.7541  6663.60  121.165  6572.95  166.924  6764.57  176.155   82.273   1.0452   83.462   1.0873 -1.188988 1.508178 
1 1 1   10   27   10 f  160.505   1.1885 25028.22  370.224 24563.23  516.682 25518.89  530.752  158.975   1.6743  162.036   1.6874 -3.061279 2.377084 
1 1 1   10   27   11 o  148.648   1.1251 21468.79  324.601 21113.99  454.623 21837.77  463.618  147.396   1.5889  149.900   1.5933 -2.504517 2.250154 
1 1 1   10   27   12 o   30.239   0.8408  889.838   49.224  863.617   71.659  913.266   67.734   29.815   1.2381   30.663   1.1380 -0.8472843 1.681651 
1 1 1   10   27   13 o   39.752   0.7303  1533.52   56.245  1406.51   78.330  1668.70   80.812   38.054   1.0604   41.451   1.0043 -3.396973 1.460517 
1 1 1   10   27   14 o  103.998   0.9223 10509.63  186.189 10578.51  263.846 10441.31  262.779  104.337   1.3027  103.658   1.3059 0.6791000 1.844590 
1 1 1   10   27   15 o   22.572   1.0964  496.571   47.869  479.994   70.028  511.110   65.584   22.216   1.6239   22.928   1.4735 -0.7128868 2.192756 
1 1 1   10   27   16 o   75.454   0.7823  5530.91  114.574  5636.05  163.353  5429.10  160.741   76.159   1.1049   74.748   1.1078 1.411545 1.564650 
1 1 1   10   27   17 o   22.575   1.2781  495.965   55.978  519.434   80.186  473.654   78.182   23.096   1.7885   22.053   1.8263 1.042788 2.556201 
1 1 1   10   27   18 o   53.690   0.7387  2798.01   76.829  2848.98  112.794  2753.89  104.936   54.144   1.0732   53.236   1.0154 0.9076004 1.477442 
1 1 1   10   27   19 o  116.491   1.0605 13209.72  239.793 13064.45  337.965 13357.00  340.284  115.845   1.5029  117.137   1.4965 -1.291374 2.120906 
1 1 1   10   27   20 o   51.210   0.7822  2547.28   77.604  2607.87  113.879  2494.74  106.037   51.775   1.1331   50.645   1.0786 1.129948 1.564345 
1 1 1   10   27   21 o   39.508   0.8872  1521.18   67.816  1511.88   99.905  1529.12   92.353   39.390   1.3066   39.626   1.2006 -0.2361298 1.774454 
1 1 1   10   27   22 o   34.468   0.9746  1158.86   64.979  1169.87   96.228  1149.63   88.098   34.610   1.4323   34.325   1.3222 0.2850380 1.949243 
1 1 1   10   27   23 o   19.575   1.5672  394.411   56.726  315.204   89.313  447.969   73.442   17.794   2.5856   21.355   1.7716 -3.561129 3.134359 
1 1 1   10   27   24 o   32.237   1.0327  1027.83   63.854  963.280   96.257  1078.56   85.333   31.294   1.5846   33.180   1.3249 -1.885801 2.065459 
1 1 1   10   27   25 o   30.239   1.1388  895.671   66.507  963.818  100.387  842.362   88.789   31.243   1.6552   29.235   1.5646 2.008362 2.277623 
1 1 1   10   27   26 o   39.928   0.9396  1567.43   72.392  1587.23  108.752  1551.67   97.006   40.126   1.3962   39.731   1.2578 0.3942223 1.879197 
1 1 1   10   27   27 o   14.446   2.2789  233.963   63.433  179.667   96.358  275.488   84.268   12.597   3.6981   16.295   2.6641 -3.698000 4.557778 
1 1 1   10   27   28 o   15.438   3.1238  292.900   96.738  320.957  154.479  274.799  124.080   15.829   4.6921   15.047   4.1250 0.7820883 6.247561 
1 1 1   10   28    0 o  186.185   1.1527 33665.31  416.587 33925.81  591.290 33408.56  587.019  186.900   1.6298  185.470   1.6305 1.430328 2.305339 
1 1 1   10   28    1 o  104.940   0.8297 10690.09  168.984 10592.28  236.488 10792.13  241.551  104.450   1.1664  105.430   1.1803 -0.9803619 1.659348 
1 1 1   10   28    2 o  132.581   0.9698 17067.53  249.555 17023.49  349.887 17113.13  356.042  132.407   1.3613  132.755   1.3816 -0.3472900 1.939580 
1 1 1   10   28    3 o   67.789   0.7839  4432.31   97.301  4374.74  118.855  4549.31  169.427   67.130   0.9121   68.449   1.2751 -1.319649 1.567743 
1 1 1   10   28    4 o  235.954   1.2852 54086.45  588.515 54165.84  823.754 54003.66  841.089  236.133   1.7971  235.775   1.8377 0.3584290 2.570376 
1 1 1   10   28    5 o  122.917   0.9247 14669.71  220.608 14552.08  308.858 14792.23  315.214  122.414   1.2998  123.420   1.3157 -1.005180 1.849440 
1 1 1   10   28    6 o  106.805   0.8594 11077.84  178.184 11166.09  252.166 10989.83  251.815  107.230   1.2114  106.380   1.2194 0.8501053 1.718893 
1 1 1   10   28    7 f  184.570   1.2297 33094.14  438.709 32986.98  593.242 33223.45  651.730  184.251   1.6587  184.890   1.8159 -0.6386719 2.459389 
1 1 1   10   28    8 o   66.501   0.6693  4292.98   86.362  4322.27  124.316  4265.67  120.064   66.719   0.9599   66.282   0.9332 0.4376144 1.338695 
1 1 1   10   28    9 o   57.155   0.7952  3193.86   83.563  3105.25  142.349  3240.45  103.219   56.540   1.2970   57.769   0.9204 -1.229183 1.590399 
1 1 1   10   28   10 o   13.199   1.7775  172.676   44.381  212.454   64.471  136.849   61.185   14.777   2.2476   11.621   2.7544 3.155983 3.555066 
1 1 1   10   28   11 o   68.161   0.8406  4570.71  104.976  4694.63  129.646  4334.78  178.887   69.529   0.9606   66.792   1.3797 2.736885 1.681157 
1 1 1   10   28   12 o  151.931   1.1502 22440.28  339.212 22411.31  477.859 22469.69  481.599  151.833   1.6213  152.029   1.6319 -0.1960297 2.300392 
1 1 1   10   28   13 o   73.221   0.7410  5207.64  105.314  5275.41  148.897  5139.79  148.976   73.698   1.0408   72.744   1.0550 0.9542007 1.481987 
1 1 1   10   28   14 o   47.208   0.6981  2164.46   63.934  2162.20   88.872  2166.89   92.045   47.183   0.9703   47.233   1.0039 -0.5004120E-01 1.396194 
1 1 1   10   28   15 o   47.968   0.7149  2235.01   66.564  2255.21   94.566  2215.16   93.710   48.183   1.0111   47.753   1.0109 0.4297562 1.429762 
1 1 1   10   28   16 o   58.754   0.7390  3353.15   84.271  3271.02  118.269  3437.86  120.108   58.023   1.0500   59.485   1.0402 -1.461845 1.477996 
1 1 1   10   28   17 o   63.536   0.7462  3921.52   92.017  4008.53  131.629  3838.36  128.684   64.225   1.0558   62.847   1.0548 1.377998 1.492437 
1 1 1   10   28   18 o   83.644   0.8314  6799.36  134.948  6896.32  193.563  6707.66  188.239   84.223   1.1839   83.065   1.1674 1.158104 1.662702 
1 1 1   10   28   19 o   21.010   1.3907  430.532   56.507  482.603   81.341  381.963   78.558   22.242   1.8840   19.778   2.0462 2.463564 2.781377 
1 1 1   10   28   20 o   47.574   0.7904  2198.96   72.928  2280.28  105.866  2125.51  100.608   48.409   1.1266   46.739   1.1089 1.669758 1.580770 
1 1 1   10   28   21 o   33.908   0.9706  1119.26   63.753  1149.84   93.757  1092.96   86.948   34.334   1.4067   33.482   1.3378 0.8520851 1.941274 
1 1 1   10   28   22 o   30.262   1.2882  898.885   70.621  896.546  124.532  899.994   85.741   30.175   2.1260   30.348   1.4554 -0.1730652 2.576449 
1 1 1   10   28   23 o   39.456   0.8803  1512.60   66.755  1579.02  102.771  1464.13   87.799   40.185   1.3175   38.726   1.1679 1.458820 1.760625 
1 1 1   10   28   24 o   39.281   0.8989  1520.76   67.530  1455.14  103.578  1569.28   89.060   38.506   1.3857   40.057   1.1453 -1.551846 1.797795 
1 1 1   10   28   25 o   23.222   1.4404  542.074   64.101  507.254   96.760  569.307   85.572   22.494   2.2159   23.949   1.8407 -1.454647 2.880731 
1 1 1   10   28   26 o   7.4890   2.3058  -0.3975   62.673 -13.5308   94.662   9.8519   83.625   7.4662   3.3046   7.5117   3.2166 -0.4547882E-01 4.611578 
1 1 1   10   28   27 o   8.1696   2.3921   35.778   62.042   14.266   96.457   50.958   81.028   7.9839   3.4374   8.3552   3.3274 -0.3712783 4.784114 
1 1 1   10   29    0 o   45.894   0.8931  2024.60   78.779  1908.98  103.228  2185.86  121.910   44.341   1.1993   47.446   1.3236 -3.105019 1.786151 
1 1 1   10   29    1 o  116.700   0.8937 13222.07  202.436 13337.10  288.453 13110.43  284.170  117.200   1.2679  116.200   1.2598 0.9999161 1.787368 
1 1 1   10   29    2 o   62.086   0.6179  3742.03   74.475  3760.43  105.516  3723.77  105.132   62.238   0.8734   61.934   0.8745 0.3041153 1.235896 
1 1 1   10   29    3 o   91.908   0.7776  8200.87  138.728  8147.79  195.119  8255.13  197.282   91.607   1.0972   92.208   1.1022 -0.6012955 1.555234 
1 1 1   10   29    4 o   64.223   0.6310  4004.35   78.670  3999.77  111.484  4008.90  111.029   64.187   0.8947   64.260   0.8901 -0.7323456E-01 1.262072 
1 1 1   10   29    5 o   69.314   0.7774  4686.90  100.763  4747.92  126.968  4583.09  165.615   69.930   0.9353   68.697   1.2419 1.232857 1.554732 
1 1 1   10   29    6 o   39.644   0.6311  1525.40   48.550  1466.19   68.036  1586.83   69.302   38.860   0.9019   40.428   0.8831 -1.567482 1.262260 
1 1 1   10   29    7 o   32.193   0.7149  1005.09   44.645  1047.42   64.493  966.136   61.863   32.843   1.0116   31.543   1.0103 1.300058 1.429705 
1 1 1   10   29    8 o  100.673   0.8415  9843.63  164.434  9740.29  232.523  9947.00  232.566  100.144   1.1961  101.202   1.1838 -1.057701 1.682908 
1 1 1   10   29    9 o   39.381   0.8346  1515.09   60.644  1477.73  102.621  1535.14   75.175   39.002   1.3555   39.761   0.9740 -0.7591438 1.669113 
1 1 1   10   29   10 o   12.488   1.7773  156.136   42.226  121.550   59.510  191.208   59.926   10.959   2.7901   14.018   2.2023 -3.058675 3.554555 
1 1 1   10   29   11 o  139.109   1.1002 18816.03  296.858 18650.07  427.622 18970.40  412.430  138.512   1.5904  139.706   1.5208 -1.193665 2.200493 
1 1 1   10   29   12 o   74.460   0.7329  5382.76  105.917  5237.30  148.197  5534.65  151.434   73.432   1.0396   75.488   1.0334 -2.056137 1.465891 
1 1 1   10   29   13 o   90.850   0.8366  8017.26  147.511  8213.11  210.017  7826.56  207.234   91.945   1.1767   89.754   1.1894 2.190704 1.673123 
1 1 1   10   29   14 o   24.900   1.0724  603.430   51.777  618.031   72.082  587.864   74.423   25.213   1.4728   24.588   1.5593 0.6255054 2.144848 
1 1 1   10   29   15 o   58.851   0.7148  3357.70   81.568  3531.86  118.660  3201.68  112.310   60.295   1.0138   57.408   1.0078 2.887138 1.429519 
1 1 1   10   29   16 o  100.284   0.9331  9776.35  181.629  9869.51  258.642  9685.71  255.118  100.755   1.3224   99.813   1.3167 0.9419022 1.866143 
1 1 1   10   29   17 o   53.657   0.7546  2798.13   78.597  2766.74  111.255  2829.42  111.052   53.356   1.0742   53.958   1.0602 -0.6019096 1.509273 
1 1 1   10   29   18 f   18.610   1.4973  341.464   53.057  318.947   81.961  357.707   69.611   18.065   2.3372   19.155   1.8721 -1.089794 2.994534 
1 1 1   10   29   19 o   60.369   0.7488  3542.82   87.620  3558.10  127.463  3529.12  120.646   60.489   1.0855   60.248   1.0316 0.2412529 1.497509 
1 1 1   10   29   20 o   15.592   2.0048  252.602   57.761  193.797   86.552  299.821   77.559   13.705   3.2941   17.478   2.2860 -3.773155 4.009614 
1 1 1   10   29   21 o   35.886   0.9453  1254.66   65.600  1271.70   97.383  1240.50   88.760   36.101   1.3896   35.670   1.2819 0.4316025 1.890564 
1 1 1   10   29   22 o   31.809   1.0210  987.041   62.642  1006.51   94.470  971.767   83.685   32.077   1.5172   31.542   1.3668 0.5352306 2.042044 
1 1 1   10   29   23 o   18.217   1.6937  341.850   57.622  277.927   89.020  387.947   75.595   16.623   2.7588   19.811   1.9657 -3.188072 3.387498 
1 1 1   10   29   24 o   38.877   0.8870  1472.67   65.835  1527.83  103.715  1435.44   85.201   39.452   1.3543   38.302   1.1459 1.150429 1.774044 
1 1 1   10   29   25 o   26.261   1.2897  688.684   65.089  659.041   97.956  712.120   87.097   25.704   1.9632   26.818   1.6731 -1.114370 2.579437 
1 1 1   10   29   26 o   43.641   0.9151  1879.72   77.201  1830.79  113.622  1921.68  105.219   43.079   1.3587   44.202   1.2263 -1.122635 1.830267 
1 1 1   10   29   27 o   26.824   1.2620  714.230   64.413  764.722  103.103  681.907   82.493   27.516   1.9303   26.132   1.6262 1.383955 2.524044 
1 1 1   10   30    0 o  166.560   1.2885 27045.11  400.156 27295.75  501.748 26607.08  663.293  167.645   1.5418  165.475   2.0649 2.170197 2.577040 
1 1 1   10   30    1 o   49.030   0.7651  2289.09   65.995  2230.41   77.774  2439.99  124.722   47.933   0.8359   50.128   1.2817 -2.194771 1.530216 
1 1 1   10   30    2 o  104.575   0.8254 10618.90  167.551 10646.16  235.798 10591.10  238.125  104.711   1.1601  104.439   1.1746 0.2716599 1.650866 
1 1 1   10   30    3 o   78.567   0.6892  5990.99  105.099  5861.38  147.028  6126.43  150.291   77.699   0.9748   79.436   0.9747 -1.737366 1.378480 
1 1 1   10   30    4 o   27.552   0.7577  737.742   40.364  729.443   59.635  744.759   54.834   27.408   1.1209   27.695   1.0199 -0.2873650 1.515473 
1 1 1   10   30    5 o  143.738   1.0159 20068.98  283.433 20320.77  402.022 19820.13  399.659  144.635   1.4319  142.841   1.4414 1.793549 2.031710 
1 1 1   10   30    6 o   26.569   1.0988  700.807   52.082  725.555   62.978  647.257   92.640   27.333   1.1870   25.805   1.8494 1.527939 2.197518 
1 1 1   10   30    7 o   91.740   0.7841  8173.29  139.626  8166.53  198.168  8179.95  196.763   91.702   1.1132   91.778   1.1044 -0.7575989E-01 1.568143 
1 1 1   10   30    8 o  102.764   0.8514 10255.22  169.820 10427.07  242.048 10088.63  238.318  103.612   1.2034  101.916   1.2046 1.695465 1.702757 
1 1 1   10   30    9 o   40.398   0.6707  1583.22   52.567  1649.59   75.604  1521.12   73.139   41.217   0.9449   39.579   0.9520 1.637577 1.341328 
1 1 1   10   30   10 o   22.623   1.0115  495.521   44.271  441.583   60.783  556.464   64.610   21.316   1.4690   23.930   1.3909 -2.614271 2.022952 
1 1 1   10   30   11 o   51.696   0.6602  2594.91   66.217  2712.02   94.307  2481.04   92.996   52.846   0.9193   50.545   0.9478 2.301399 1.320408 
1 1 1   10   30   12 o   19.677   1.2985  376.970   49.552  393.481   69.780  360.175   70.378   20.113   1.7872   19.241   1.8843 0.8723259 2.597038 
1 1 1   10   30   13 f   14.400   1.7946  206.318   48.731  174.783   68.318  238.980   69.529   13.139   2.7661   15.662   2.2870 -2.523115 3.589103 
1 1 1   10   30   14 o  109.969   0.9320 11754.18  198.946 11751.68  281.440 11756.68  281.263  109.958   1.3185  109.981   1.3174 -0.2349854E-01 1.863920 
1 1 1   10   30   15 o   21.146   1.2488  435.365   51.251  440.197   71.969  430.394   73.000   21.266   1.7434   21.027   1.7885 0.2397003 2.497630 
1 1 1   10   30   16 o   52.206   0.7328  2648.54   74.227  2542.79  104.489  2756.28  105.465   51.153   1.0523   53.260   1.0201 -2.106071 1.465573 
1 1 1   10   30   17 o   78.934   0.8094  6056.27  124.016  6099.13  175.674  6013.70  175.098   79.212   1.1425   78.655   1.1468 0.5571823 1.618775 
1 1 1   10   30   18 o   29.066   1.0127  827.555   56.446  784.772   85.536  860.558   75.127   28.389   1.5521   29.742   1.3012 -1.353497 2.025427 
1 1 1   10   30   19 o   26.157   1.1316  669.618   56.841  649.369   86.230  685.177   75.587   25.796   1.7220   26.517   1.4684 -0.7212677 2.263121 
1 1 1   10   30   20 o   12.192   2.3396  152.440   56.621  157.806   83.867  147.946   76.754   12.387   3.3894   11.998   3.2258 0.3897066 4.679129 
1 1 1   10   30   21 o   12.814   2.2800  168.660   57.667  220.870   83.942  121.996   79.358   14.626   3.0552   11.002   3.3852 3.624003 4.559971 
1 1 1   10   30   22 o   15.544   1.9532  243.809   57.642  266.133   84.267  224.178   79.022   16.346   2.6557   14.741   2.8647 1.604578 3.906335 
1 1 1   10   30   23 o   30.820   1.0383  922.456   61.231  988.242   96.290  877.796   79.337   31.710   1.5643   29.930   1.3656 1.779989 2.076509 
1 1 1   10   30   24 o   59.935   0.7875  3513.03   90.966  3517.90  137.076  3509.20  121.602   59.945   1.1780   59.926   1.0454 0.1950073E-01 1.574939 
1 1 1   10   30   25 o   13.076   2.4707  189.200   63.976  171.536   96.077  203.271   85.751   12.484   3.7003   13.668   3.2749 -1.183803 4.941393 
1 1 1   10   30   26 o   19.160   1.7627  378.031   65.236  362.760   95.786  391.242   89.093   18.737   2.6335   19.583   2.3437 -0.8456020 3.525403 
1 1 1   10   30   27 o   12.547   2.4164  186.152   64.340  105.921   98.195  246.512   85.170   10.151   3.7573   14.943   3.0396 -4.792756 4.832853 
1 1 1   10   31    0 o  145.471   1.3223 20672.53  337.035 20820.56  399.270 20305.60  628.628  146.417   1.4048  144.525   2.2407 1.892426 2.644661 
1 1 1   10   31    1 o  124.458   1.1332 15054.09  260.074 15069.27  321.140 15025.16  443.329  124.566   1.3281  124.350   1.8366 0.2160492 2.266481 
1 1 1   10   31    2 o   98.101   0.9817  9386.12  176.993  9469.43  218.200  9225.85  302.635   98.751   1.1383   97.451   1.5998 1.300415 1.963428 
1 1 1   10   31    3 f   36.230   0.6399  1274.21   44.965  1202.29   63.060  1348.61   64.136   35.190   0.9231   37.270   0.8865 -2.080296 1.279868 
1 1 1   10   31    4 o   58.103   0.6312  3272.78   71.143  3431.83  102.897  3127.12   98.472   59.453   0.8916   56.752   0.8938 2.700737 1.262494 
1 1 1   10   31    5 o  146.014   1.0394 20712.25  294.507 20714.35  411.008 20710.04  422.210  146.024   1.4500  146.005   1.4897 0.1879883E-01 2.078849 
1 1 1   10   31    6 o  161.003   1.0994 25182.63  343.508 25022.45  479.238 25351.89  492.625  160.478   1.5384  161.528   1.5711 -1.049271 2.198873 
1 1 1   10   31    7 o  143.018   1.0274 19873.72  285.207 20011.12  402.446 19735.09  404.248  143.515   1.4446  142.520   1.4612 0.9949188 2.054730 
1 1 1   10   31    8 o   99.161   0.8271  9550.05  159.186  9547.83  223.598  9552.32  226.680   99.149   1.1617   99.172   1.1775 -0.2238464E-01 1.654132 
1 1 1   10   31    9 o   65.227   0.6724  4130.61   85.086  4106.19  118.030  4157.03  122.769   65.027   0.9351   65.427   0.9666 -0.4001770 1.344886 
1 1 1   10   31   10 f   61.004   0.6761  3613.55   80.047  3725.95  113.879  3503.78  112.539   61.942   0.9471   60.066   0.9652 1.875687 1.352251 
1 1 1   10   31   11 o   64.962   0.8588  4090.87  103.063  4128.72  175.469  4070.94  127.345   65.181   1.3868   64.742   1.0133 0.4391556 1.717537 
1 1 1   10   31   12 o   67.238   0.7149  4388.09   93.215  4328.73  128.607  4453.79  135.300   66.760   0.9924   67.715   1.0293 -0.9557190 1.429801 
1 1 1   10   31   13 o  119.846   1.0242 13962.95  238.271 13980.21  337.158 13945.74  336.775  119.920   1.4484  119.772   1.4485 0.1479492 2.048393 
1 1 1   10   31   14 o   41.534   0.7455  1675.99   60.102  1676.36   85.644  1675.64   84.364   41.538   1.0622   41.530   1.0465 0.8300781E-02 1.491077 
1 1 1   10   31   15 o   41.023   0.7866  1635.78   62.614  1611.88   89.310  1658.87   87.808   40.728   1.1297   41.319   1.0948 -0.5909500 1.573103 
1 1 1   10   31   16 o   61.467   0.7309  3672.26   87.185  3634.69  124.555  3708.35  122.079   61.157   1.0492   61.776   1.0180 -0.6188278 1.461896 
1 1 1   10   31   17 o   42.788   0.7860  1782.04   65.174  1829.26   90.310  1730.72   94.148   43.382   1.0724   42.193   1.1495 1.189068 1.572055 
1 1 1   10   31   18 o   55.999   0.7520  3050.60   81.696  2963.60  116.355  3135.19  114.734   55.209   1.0857   56.789   1.0408 -1.579880 1.503996 
1 1 1   10   31   19 o   67.119   0.7641  4373.72   99.386  4535.20  145.687  4233.14  135.927   68.272   1.0993   65.965   1.0615 2.307274 1.528149 
1 1 1   10   31   20 o   43.325   0.8221  1824.71   69.062  1897.28  100.670  1760.19   94.920   44.136   1.1750   42.514   1.1502 1.621246 1.644237 
1 1 1   10   31   21 o   62.989   0.7820  3864.64   95.594  3929.58  136.847  3802.75  133.593   63.504   1.1101   62.473   1.1016 1.031364 1.563925 
1 1 1   10   31   22 o   15.426   2.0691  257.033   59.161  150.636   86.203  351.763   81.340   12.010   3.4898   18.843   2.2238 -6.833107 4.138133 
1 1 1   10   31   23 o   13.542   2.2280  198.961   57.634  158.984   86.918  230.331   76.994   12.209   3.4916   14.875   2.7684 -2.665492 4.455934 
1 1 1   10   31   24 o   20.369   1.5551  417.997   60.662  396.324   92.187  434.549   80.562   19.843   2.3933   20.894   1.9863 -1.051352 3.110155 
1 1 1   10   31   25 o   36.178   1.0243  1292.81   71.562  1287.13  106.629  1297.46   96.530   36.074   1.5227   36.283   1.3705 -0.2089081 2.048666 
1 1 1   10   31   26 o   22.175   1.5628  502.705   66.838  469.359   97.926  531.789   91.453   21.414   2.3558   22.936   2.0541 -1.522476 3.125538 
1 1 1   10   31   27 o   31.442   1.3010  1012.15   78.236  1143.61  107.339  863.176  114.269   33.779   1.6370   29.105   2.0225 4.673592 2.601975 
1 1 1   10   32    0 o   99.140   0.9803  9534.96  177.636  9512.00  217.148  9581.38  308.847   98.972   1.1303   99.308   1.6021 -0.3361130 1.960673 
1 1 1   10   32    1 o   61.264   0.7864  3600.38   86.635  3529.55  103.930  3761.68  156.840   60.294   0.8880   62.234   1.2983 -1.940239 1.572887 
1 1 1   10   32    2 o   90.654   0.9333  7954.32  155.574  7896.21  191.126  8068.41  267.820   90.175   1.0919   91.133   1.5139 -0.9575653 1.866582 
1 1 1   10   32    3 o  118.891   1.1162 13821.63  245.475 14030.11  305.291 13440.30  412.887  120.187   1.3086  117.595   1.8087 2.591988 2.232464 
1 1 1   10   32    4 o  157.030   1.0737 23958.92  327.263 24153.85  461.067 23761.00  464.593  157.675   1.5064  156.385   1.5304 1.289948 2.147412 
1 1 1   10   32    5 o  189.831   1.1889 35022.73  438.071 35590.05  619.739 34456.20  619.313  191.369   1.6683  188.293   1.6944 3.076797 2.377840 
1 1 1   10   32    6 o   73.273   0.9121  5215.19  129.719  5222.65  184.628  5207.92  182.296   73.325   1.2971   73.222   1.2825 0.1028519 1.824132 
1 1 1   10   32    7 o   30.891   0.7576  925.068   45.341  951.296   66.611  902.424   61.893   31.298   1.0964   30.484   1.0459 0.8137417 1.515282 
1 1 1   10   32    8 o   96.073   0.8047  8963.51  150.059  8874.78  210.319  9055.51  214.163   95.589   1.1335   96.556   1.1426 -0.9678574 1.609441 
1 1 1   10   32    9 o   61.941   0.7968  3765.57   92.179  3579.90  150.774  3876.40  116.485   60.702   1.2796   63.180   0.9498 -2.477833 1.593537 
1 1 1   10   32   10 o   37.534   0.7192  1368.17   52.401  1360.15   73.617  1376.40   74.604   37.423   1.0134   37.645   1.0209 -0.2226868 1.438478 
1 1 1   10   32   11 o  124.038   0.9895 14954.88  238.139 14866.24  341.233 15039.04  332.496  123.677   1.4213  124.399   1.3769 -0.7219162 1.978909 
1 1 1   10   32   12 o   16.207   1.5582  256.782   48.788  284.300   68.775  228.905   69.222   17.088   2.0734   15.327   2.3266 1.761109 3.116418 
1 1 1   10   32   13 o   44.539   0.7222  1923.25   62.304  1872.48   84.933  1982.39   91.674   43.905   0.9965   45.173   1.0454 -1.268356 1.444315 
1 1 1   10   32   14 o   69.818   0.7481  4735.25  101.373  4621.57  142.341  4852.24  144.406   68.968   1.0632   70.669   1.0527 -1.700897 1.496168 
1 1 1   10   32   15 o   92.173   0.8790  8259.53  157.277  8236.98  222.024  8282.23  222.824   92.046   1.2426   92.299   1.2437 -0.2523651 1.758045 
1 1 1   10   32   16 o   28.094   1.0198  775.906   54.976  698.895   81.568  840.011   74.419   26.797   1.5681   29.391   1.3044 -2.593544 2.039684 
1 1 1   10   32   17 f   35.329   0.9182  1214.10   62.967  1194.68   88.932  1233.63   89.167   35.045   1.3073   35.613   1.2898 -0.5676498 1.836479 
1 1 1   10   32   18 o   35.981   0.9019  1262.37   62.876  1188.96   89.717  1333.23   88.145   34.948   1.3225   37.015   1.2268 -2.067345 1.803857 
1 1 1   10   32   19 o   10.664   2.3857  111.904   55.190  107.601   82.764  115.350   74.062   10.588   3.4804   10.739   3.2638 -0.1510849 4.771327 
1 1 1   10   32   20 o   58.112   0.7739  3289.05   87.269  3273.71  124.953  3303.66  121.935   57.977   1.1103   58.247   1.0784 -0.2702446 1.547800 
1 1 1   10   32   21 o   16.370   1.9604  275.564   59.046  187.755   82.295  368.724   84.766   13.417   3.2040   19.323   2.2599 -5.905915 3.920771 
1 1 1   10   32   22 o   26.678   1.1958  705.892   61.377  639.118   90.083  763.747   83.851   25.462   1.8226   27.894   1.5486 -2.432117 2.391649 
1 1 1   10   32   23 o   15.369   2.0793  246.534   59.406  263.743   90.144  233.322   78.984   15.811   3.0476   14.927   2.8294 0.8839025 4.158550 
1 1 1   10   32   24 o   28.366   1.1759  788.032   63.988  847.450   99.725  746.450   83.426   29.234   1.7573   27.497   1.5630 1.736290 2.351817 
1 1 1   10   32   25 o   28.416   1.1958  794.852   65.438  867.962  100.447  740.943   86.253   29.513   1.7533   27.318   1.6265 2.195375 2.391569 
1 1 1   10   32   26 o   21.186   1.6216  455.968   66.306  493.903  100.506  426.734   88.230   21.926   2.3614   20.445   2.2231 1.481117 3.243168 
1 1 1   10   33    0 o   79.027   0.8833  6088.90  126.149  6130.12  152.955  6001.25  223.073   79.456   0.9917   78.598   1.4621 0.8585358 1.766666 
1 1 1   10   33    1 o  231.839   1.5233 52462.99  659.296 52983.52  828.188 51562.38  1089.38  233.478   1.8273  230.199   2.4379 3.279114 3.046693 
1 1 1   10   33    2 o   44.586   0.7710  1910.66   61.261  1881.36   73.043  1980.15  112.491   44.020   0.8548   45.152   1.2834 -1.132080 1.542038 
1 1 1   10   33    3 o   14.987   1.8998  237.452   47.288  255.185   55.815  192.344   89.018   16.204   1.7745   13.771   3.3599 2.432850 3.799682 
1 1 1   10   33    4 o  107.360   1.0381 11289.06  206.220 11506.87  256.859 10894.06  345.903  108.846   1.2157  105.874   1.6831 2.971367 2.076185 
1 1 1   10   33    5 o   87.910   0.7633  7504.85  130.246  7483.13  183.108  7527.09  185.302   87.781   1.0746   88.038   1.0843 -0.2570572 1.526568 
1 1 1   10   33    6 o   89.029   0.7653  7696.90  132.253  7822.60  187.896  7573.48  186.185   89.750   1.0785   88.309   1.0861 1.441002 1.530617 
1 1 1   10   33    7 o   71.380   0.6761  4948.04   93.675  4976.37  131.799  4919.13  133.164   71.587   0.9485   71.173   0.9638 0.4134598 1.352237 
1 1 1   10   33    8 o  113.647   0.9051 12547.60  199.585 12530.01  278.034 12566.29  286.677  113.566   1.2612  113.727   1.2986 -0.1609955 1.810218 
1 1 1   10   33    9 o   44.843   0.6674  1952.12   58.046  1936.98   80.281  1968.71   84.026   44.661   0.9260   45.024   0.9614 -0.3633690 1.334834 
1 1 1   10   33   10 o   66.762   0.6930  4325.38   89.755  4415.97  129.822  4242.43  124.228   67.430   0.9918   66.093   0.9683 1.337212 1.386085 
1 1 1   10   33   11 o   34.761   0.8074  1175.23   54.420  1219.74   76.220  1128.95   77.724   35.435   1.1081   34.088   1.1746 1.346115 1.614787 
1 1 1   10   33   12 o   78.926   0.7711  6052.15  118.123  6111.60  166.559  5991.99  167.548   79.316   1.0818   78.535   1.0990 0.7811432 1.542116 
1 1 1   10   33   13 o   21.777   1.2234  462.578   51.537  447.798   75.416  475.528   70.591   21.447   1.8114   22.107   1.6449 -0.6598969 2.446871 
1 1 1   10   33   14 o  141.154   1.2444 19393.79  340.965 19514.95  484.448 19274.86  479.979  141.590   1.7626  140.717   1.7572 0.8724060 2.488830 
1 1 1   10   33   15 o   65.263   0.7532  4139.44   95.408  4151.40  134.180  4127.22  135.687   65.359   1.0576   65.167   1.0726 0.1918335 1.506318 
1 1 1   10   33   16 o   32.977   0.9107  1055.14   58.099  1086.59   86.323  1029.10   78.554   33.423   1.3305   32.532   1.2439 0.8919067 1.821419 
1 1 1   10   33   17 f   26.315   1.1521  675.467   58.751  691.472   81.370  658.036   84.915   26.644   1.5733   25.985   1.6834 0.6588440 2.304139 
1 1 1   10   33   18 o   93.699   0.8987  8543.21  163.411  8370.88  227.402  8727.22  234.979   92.724   1.2634   94.674   1.2786 -1.949440 1.797491 
1 1 1   10   33   19 o   20.571   1.3996  405.861   55.128  514.304   84.510  325.535   72.733   22.921   1.8994   18.222   2.0562 4.698635 2.799240 
1 1 1   10   33   20 f   46.654   0.8038  2113.58   72.668  2269.91  106.401  1976.92   99.483   48.265   1.1357   45.042   1.1378 3.222820 1.607569 
1 1 1   10   33   21 o   16.710   1.8399  282.161   57.904  242.549   81.087  323.381   82.716   15.356   2.8243   18.064   2.3588 -2.708425 3.679785 
1 1 1   10   33   22 o   27.397   1.1817  739.519   62.755  728.805   90.794  749.320   86.837   27.195   1.7199   27.599   1.6209 -0.4033394 2.363308 
1 1 1   10   33   23 o   27.655   1.1367  757.130   60.710  719.861   89.090  789.441   82.952   26.992   1.7003   28.319   1.5090 -1.327675 2.273343 
1 1 1   10   33   24 o   40.554   0.8827  1621.83   68.408  1575.37  105.669  1655.36   89.755   40.007   1.3606   41.101   1.1250 -1.093433 1.765484 
1 1 1   10   33   25 o   11.491   2.5107  144.053   60.927  154.265   95.249  136.982   79.264   11.798   3.7214   11.185   3.3714 0.6123333 5.021476 
1 1 1   10   33   26 o   11.638   2.3832  132.019   64.787  264.681   98.781   31.873   85.825   15.303   3.4122   7.9721   3.3279 7.330897 4.766353 
1 1 1   10   34    0 o   67.047   0.8059  4306.41   96.379  4218.67  114.865  4515.12  177.154   65.916   0.8977   68.178   1.3386 -2.262024 1.611709 
1 1 1   10   34    1 o   36.538   0.8948  1298.99   53.374  1300.97   60.830  1292.38  111.265   36.605   0.8561   36.470   1.5716 0.1351166 1.789669 
1 1 1   10   34    2 o   37.426   0.9737  1375.02   69.098  1433.49   89.733  1289.84  108.304   38.418   1.2032   36.435   1.5313 1.983261 1.947490 
1 1 1   10   34    3 o   75.694   0.8466  5528.29  115.992  5464.78  140.200  5666.08  206.499   75.019   0.9627   76.370   1.3929 -1.350624 1.693265 
1 1 1   10   34    4 o   68.137   0.8356  4525.92  101.812  4552.39  122.346  4466.31  183.600   68.472   0.9205   67.803   1.3949 0.6686935 1.671273 
1 1 1   10   34    5 o   51.880   0.7791  2636.88   72.828  2676.68   88.270  2552.04  128.886   52.505   0.8661   51.256   1.2954 1.248768 1.558223 
1 1 1   10   34    6 o   45.184   0.8459  1941.50   65.894  1894.60   76.698  2073.68  128.767   44.172   0.8945   46.196   1.4359 -2.024353 1.691743 
1 1 1   10   34    7 o   66.637   0.6721  4311.92   86.937  4276.46  122.209  4348.24  123.698   66.360   0.9487   66.914   0.9523 -0.5544662 1.344223 
1 1 1   10   34    8 o   83.831   0.7693  6825.30  125.185  6935.88  177.916  6716.88  176.174   84.504   1.0846   83.158   1.0914 1.345215 1.538656 
1 1 1   10   34    9 o   20.151   1.2013  396.640   46.776  362.837   67.313  428.206   65.049   19.315   1.7953   20.987   1.5967 -1.672403 2.402642 
1 1 1   10   34   10 o   39.172   0.7421  1490.30   56.428  1478.14   79.148  1502.88   80.470   39.010   1.0452   39.335   1.0539 -0.3249283 1.484289 
1 1 1   10   34   11 o   46.566   0.7025  2106.29   63.490  2114.80   89.088  2097.50   90.504   46.662   0.9835   46.470   1.0033 0.1920319 1.404991 
1 1 1   10   34   12 o   13.350   2.0305  180.805   51.210  146.049   71.335  217.761   73.559   11.991   3.0558   14.709   2.6747 -2.718334 4.060986 
1 1 1   10   34   13 o   85.990   0.8078  7184.89  134.826  7283.99  191.631  7087.75  189.727   86.578   1.1402   85.403   1.1444 1.174637 1.615511 
1 1 1   10   34   14 o   63.234   0.7297  3883.21   89.474  3931.72  129.964  3839.50  123.365   63.608   1.0526   62.861   1.0110 0.7474518 1.459447 
1 1 1   10   34   15 o   9.4860   2.3809   74.112   55.690   99.824   80.256   50.234   77.341   10.334   3.4287   8.6376   3.3043 1.696667 4.761746 
1 1 1   10   34   16 o   45.311   0.7481  1993.40   65.756  1895.73   91.422  2098.09   94.648   44.162   1.0664   46.461   1.0495 -2.298424 1.496207 
1 1 1   10   34   17 f   66.495   0.7718  4299.08   99.617  4231.84  139.759  4368.51  142.028   65.966   1.0914   67.023   1.0917 -1.056740 1.543672 
1 1 1   10   34   18 o   9.7564   2.4016   84.126   56.743   56.985   82.431  108.569   78.227   8.9631   3.4154   10.550   3.3773 -1.586426 4.803289 
1 1 1   10   34   19 o   48.687   0.7644  2307.30   71.944  2313.94  106.772  2301.78   97.366   48.745   1.1284   48.630   1.0314 0.1147537 1.528774 
1 1 1   10   34   20 o   21.923   1.3539  470.558   57.425  527.861   83.604  419.376   79.013   23.191   1.8572   20.656   1.9705 2.534409 2.707798 
1 1 1   10   34   21 o   27.052   1.1411  719.143   59.811  669.380   84.611  768.849   84.561   26.105   1.6697   27.999   1.5558 -1.894384 2.282223 
1 1 1   10   34   22 o   8.6635   2.3747   47.046   58.888   89.930   85.013   7.4895   81.648   9.8378   3.5171   7.4892   3.1919 2.348624 4.749498 
1 1 1   10   34   23 o   21.468   1.4797  469.081   60.333  394.768   90.042  529.630   81.276   19.820   2.3403   23.116   1.8113 -3.296162 2.959381 
1 1 1   10   34   24 o   21.418   1.4754  470.932   58.956  419.879   94.402  503.576   75.487   20.330   2.3921   22.506   1.7279 -2.175409 2.950844 
1 1 1   10   34   25 o   25.331   1.2934  635.805   62.184  677.068  100.188  609.948   79.309   25.919   1.9913   24.744   1.6512 1.174742 2.586839 
1 1 1   10   34   26 o   20.371   1.6969  438.885   65.384  379.030   99.428  484.491   86.789   18.945   2.7036   21.797   2.0512 -2.851683 3.393703 
1 1 1   10   35    0 o   41.765   0.8172  1729.89   57.530  1767.98   66.905  1621.83  112.689   42.673   0.8077   40.858   1.4208 1.815144 1.634355 
1 1 1   10   35    1 o   48.891   0.7785  2379.51   67.931  2477.18   82.296  2170.63  120.344   50.511   0.8393   47.271   1.3115 3.240219 1.557071 
1 1 1   10   35    2 o   38.490   0.8997  1466.66   58.312  1495.76   67.742  1383.38  114.576   39.249   0.8891   37.731   1.5643 1.518570 1.799371 
1 1 1   10   35    3 o   76.391   0.8774  5663.16  121.557  5654.04  147.539  5682.43  214.483   76.306   0.9961   76.476   1.4448 -0.1708145 1.754853 
1 1 1   10   35    4 f   39.185   0.8706  1478.10   59.126  1462.09   69.251  1521.15  113.568   38.804   0.9194   39.566   1.4787 -0.7623672 1.741161 
1 1 1   10   35    5 o   59.066   0.8113  3385.70   86.360  3380.65  104.254  3396.72  154.163   59.004   0.9102   59.128   1.3431 -0.1237068 1.622511 
1 1 1   10   35    6 o   66.520   0.8497  4330.81  100.829  4381.67  121.130  4216.07  181.949   67.172   0.9290   65.867   1.4230 1.304749 1.699406 
1 1 1   10   35    7 o   57.956   0.8037  3287.40   84.778  3335.09  103.675  3191.14  147.286   58.604   0.9113   57.309   1.3240 1.294945 1.607302 
1 1 1   10   35    8 o  102.574   0.8447 10221.06  168.180 10198.20  236.620 10244.39  239.085  102.458   1.1897  102.689   1.1994 -0.2309952 1.689361 
1 1 1   10   35    9 o   20.928   1.1765  425.919   47.794  430.956   67.626  420.894   67.556   21.052   1.6548   20.804   1.6728 0.2476311 2.353039 
1 1 1   10   35   10 o   94.997   0.8675  8764.95  159.942  8957.38  229.086  8581.95  223.406   96.013   1.2291   93.980   1.2246 2.033211 1.735058 
1 1 1   10   35   11 o   57.760   0.7131  3235.26   79.882  3430.11  115.540  3056.82  110.564   59.424   1.0016   56.097   1.0153 3.327198 1.426243 
1 1 1   10   35   12 o  101.276   0.8930  9966.76  175.524 10224.30  250.628  9718.85  245.896  102.560   1.2589   99.992   1.2668 2.568161 1.785967 
1 1 1   10   35   13 o   50.819   0.7209  2506.92   71.043  2555.23  103.187  2463.39   97.957   51.283   1.0365   50.354   1.0021 0.9283142 1.441777 
1 1 1   10   35   14 o   76.413   0.7869  5675.94  116.703  5585.10  165.560  5765.65  164.532   75.804   1.1251   77.021   1.1005 -1.217857 1.573820 
1 1 1   10   35   15 f   35.608   1.1082  1194.22   71.405  1344.39  129.810  1129.07   85.503   37.144   1.8003   34.072   1.2928 3.071949 2.216383 
1 1 1   10   35   16 o   41.046   0.8124  1635.44   64.585  1678.61   95.056  1598.43   88.024   41.546   1.1786   40.546   1.1184 1.000420 1.624813 
1 1 1   10   35   17 f   30.962   1.0197  934.397   61.224  882.477   86.219  987.205   86.953   30.091   1.4761   31.832   1.4072 -1.741478 2.039337 
1 1 1   10   35   18 o   27.941   1.0501  760.718   56.910  720.552   79.078  803.869   81.964   27.176   1.4990   28.707   1.4709 -1.530972 2.100123 
1 1 1   10   35   19 o   16.632   1.7399  272.070   53.496  367.020   81.207  199.277   71.104   19.313   2.1661   13.950   2.7235 5.362793 3.479837 
1 1 1   10   35   20 o   41.260   0.8316  1656.90   66.461  1711.39   97.892  1610.32   90.521   41.883   1.2040   40.637   1.1475 1.245964 1.663286 
1 1 1   10   35   21 o   31.485   1.0176  974.921   61.986  898.470   88.622  1048.14   86.732   30.258   1.5088   32.713   1.3658 -2.455713 2.035191 
1 1 1   10   35   22 o   26.894   1.1812  716.160   61.479  669.980   88.299  759.611   85.650   26.028   1.7476   27.759   1.5895 -1.730959 2.362318 
1 1 1   10   35   23 o   36.617   0.9367  1316.56   66.420  1330.81   97.629  1304.29   90.627   36.787   1.3672   36.447   1.2809 0.3393364 1.873477 
1 1 1   10   35   24 o   19.414   1.6311  380.470   60.583  395.770   94.690  369.867   78.828   19.676   2.4791   19.152   2.1203 0.5244617 3.262153 
1 1 1   10   35   25 o   19.403   1.6752  386.826   61.942  385.572   96.965  387.690   80.511   19.272   2.5919   19.535   2.1231 -0.2631073 3.350488 
1 1 1   10   36    0 o   53.998   0.8220  2859.59   76.803  2893.90   90.382  2770.45  145.689   54.594   0.8528   53.401   1.4054 1.193478 1.643969 
1 1 1   10   36    1 o   94.035   0.9975  8600.38  171.065  8618.51  208.915  8563.47  297.998   94.202   1.1425   93.869   1.6354 0.3329315 1.994948 
1 1 1   10   36    2 f   89.247   0.9613  7755.40  155.561  7787.13  189.057  7688.87  273.731   89.545   1.0876   88.948   1.5853 0.5967331 1.922569 
1 1 1   10   36    3 o  121.543   1.1573 14451.87  259.060 14658.67  320.571 14062.59  439.816  122.833   1.3444  120.253   1.8841 2.580254 2.314617 
1 1 1   10   36    4 o   77.846   0.8919  5921.64  125.589  5983.25  152.551  5792.07  221.234   78.492   1.0012   77.201   1.4763 1.290901 1.783764 
1 1 1   10   36    5 o   75.325   0.8870  5508.54  119.865  5502.48  144.172  5522.12  215.715   75.272   0.9867   75.379   1.4742 -0.1067200 1.773960 
1 1 1   10   36    6 o   33.536   0.9858  1070.18   56.895  1044.88   66.161  1142.01  111.475   32.800   1.0391   34.272   1.6756 -1.472218 1.971659 
1 1 1   10   36    7 o  112.803   1.0930 12168.67  223.706 11821.78  269.945 12929.18  399.702  110.307   1.2607  115.299   1.7859 -4.991776 2.186006 
1 1 1   10   36    8 o   84.911   0.9465  6972.20  146.621  6907.35  178.616  7106.17  256.729   84.326   1.0912   85.496   1.5469 -1.170227 1.893024 
1 1 1   10   36    9 o   79.785   0.9528  6246.74  139.461  6376.01  172.152  5999.94  237.872   81.016   1.0947   78.555   1.5599 2.460701 1.905690 
1 1 1   10   36   10 o   85.758   0.7904  7145.15  131.574  7155.10  185.494  7135.08  186.660   85.818   1.1135   85.697   1.1221 0.1208115 1.580786 
1 1 1   10   36   11 o   37.690   0.8078  1380.06   59.094  1406.44   84.321  1354.60   82.842   38.044   1.1418   37.336   1.1430 0.7076912 1.615604 
1 1 1   10   36   12 o   46.798   0.7389  2127.54   67.111  2070.53   94.364  2185.88   95.463   46.164   1.0530   47.433   1.0368 -1.269238 1.477770 
1 1 1   10   36   13 o   31.488   0.9225  959.890   56.249  1026.99   83.173  903.329   76.360   32.497   1.3185   30.479   1.2906 2.018030 1.845024 
1 1 1   10   36   14 o   61.384   0.7470  3660.15   88.941  3700.75  128.699  3623.03  123.055   61.708   1.0744   61.059   1.0382 0.6487503 1.494058 
1 1 1   10   36   15 o  105.181   0.9763 10761.81  199.313 10925.43  284.680 10604.49  279.144  105.965   1.3840  104.398   1.3774 1.566757 1.952624 
1 1 1   10   36   16 o   37.036   0.8292  1334.21   59.609  1325.25   83.704  1343.43   84.907   36.910   1.1683   37.162   1.1770 -0.2518005 1.658365 
1 1 1   10   36   17 f   41.271   0.8391  1659.58   67.157  1711.67   94.023  1605.33   95.956   41.936   1.1550   40.606   1.2174 1.329826 1.678103 
1 1 1   10   36   18 o   27.318   1.1160  726.917   59.011  809.263   85.758  652.860   81.327   28.788   1.5346   25.848   1.6209 2.940104 2.232091 
1 1 1   10   36   19 o   27.022   1.0930  712.114   57.005  731.867   85.803  696.506   76.270   27.347   1.6163   26.697   1.4717 0.6500187 2.186003 
1 1 1   10   36   20 o   43.118   0.8160  1811.24   68.240  1882.82   99.124  1746.75   94.086   43.925   1.1625   42.311   1.1455 1.613682 1.632097 
1 1 1   10   36   21 o   19.404   1.5339  372.910   57.631  400.693   85.288  349.565   78.181   20.062   2.1901   18.747   2.1484 1.314711 3.067860 
1 1 1   10   36   22 o   46.747   0.8107  2135.60   73.490  2197.30  106.982  2080.48  101.126   47.380   1.1632   46.115   1.1297 1.265808 1.621473 
1 1 1   10   36   23 o   10.460   2.3245  109.310   59.105   25.250   87.298  180.455   80.312   8.0283   3.3542   12.891   3.2191 -4.863145 4.648999 
1 1 1   10   36   24 o   18.710   1.7368  358.306   62.284  360.226   95.902  356.905   81.910   18.675   2.6454   18.746   2.2510 -0.7035446E-01 3.473526 
1 1 1   10   36   25 o   9.6865   2.4937   80.795   61.093  149.428   99.302   38.997   77.494   11.486   3.8140   7.8866   3.2136 3.599776 4.987421 
1 1 1   10   37    0 o   56.398   0.8042  3072.07   80.024  3048.22   94.897  3130.79  148.885   56.029   0.8725   56.767   1.3511 -0.7375031 1.608349 
1 1 1   10   37    1 o   62.405   0.9616  3766.97  115.990  3614.22  155.738  3957.23  173.815   60.993   1.3154   63.817   1.4031 -2.824425 1.923244 
1 1 1   10   37    2 o   32.402   1.0310  1038.52   55.736  1056.65   64.415  984.514  111.180   32.985   1.0060   31.819   1.8000 1.166719 2.062085 
1 1 1   10   37    3 o   96.439   0.9957  8938.84  173.953  8768.14  210.046  9311.52  310.360   95.009   1.1389   97.868   1.6336 -2.859077 1.991455 
1 1 1   10   37    4 f   44.551   0.8865  1953.84   67.677  1983.67   79.263  1873.59  130.012   45.197   0.9034   43.905   1.5255 1.292152 1.772935 
1 1 1   10   37    5 o   46.441   2.8130  1596.59   71.728  1578.05   72.311  2733.89  566.339   40.311   0.9241   52.571   5.5497 -12.25943 5.626069 
1 1 1   10   37    6 o   60.218   0.8350  3475.26   90.049  3402.38  107.643  3645.18  164.358   59.190   0.9368   61.246   1.3825 -2.055187 1.669986 
1 1 1   10   37    7 o   55.213   0.8276  2930.25   83.666  2869.37  102.018  3055.31  146.215   54.355   0.9669   56.072   1.3433 -1.716988 1.655111 
1 1 1   10   37    8 o   45.796   0.8807  1990.14   70.961  1928.23   83.534  2150.62  134.497   44.557   0.9658   47.035   1.4731 -2.478340 1.761443 
1 1 1   10   37    9 o   48.063   0.8896  2267.48   75.433  2300.10   89.951  2190.18  138.470   48.664   0.9522   47.462   1.5030 1.201836 1.779216 
1 1 1   10   37   10 o   61.820   0.8875  3729.36   99.627  3757.00  121.338  3672.15  174.529   62.189   1.0051   61.452   1.4631 0.7366638 1.775064 
1 1 1   10   37   11 o   42.477   0.9671  1793.59   73.267  1858.72   88.605  1652.77  130.288   43.739   1.0436   41.215   1.6285 2.524101 1.934171 
1 1 1   10   37   12 o   20.033   1.3305  390.923   51.732  393.498   73.942  388.455   72.404   20.097   1.8953   19.969   1.8678 0.1281204 2.661038 
1 1 1   10   37   13 o   89.120   0.8592  7716.41  148.565  7880.27  214.133  7564.34  206.291   90.031   1.2253   88.210   1.2048 1.820732 1.718339 
1 1 1   10   37   14 o   30.471   1.0112  906.240   59.623  838.551   85.355  970.739   83.320   29.353   1.4980   31.589   1.3588 -2.236656 2.022459 
1 1 1   10   37   15 o   38.379   0.8607  1432.80   64.122  1421.73   90.935  1443.74   90.432   38.231   1.2253   38.527   1.2092 -0.2959900 1.721477 
1 1 1   10   37   16 f   23.766   1.1764  551.160   53.828  550.838   81.478  551.409   71.703   23.752   1.7672   23.780   1.5533 -0.2839470E-01 2.352780 
1 1 1   10   37   17 o   50.476   0.7782  2479.54   76.241  2460.94  106.904  2498.80  108.763   50.284   1.0952   50.668   1.1058 -0.3839645 1.556368 
1 1 1   10   37   18 o   42.985   0.8063  1799.90   67.260  1792.75   93.960  1807.42   96.325   42.899   1.1283   43.071   1.1521 -0.1717491 1.612593 
1 1 1   10   37   19 f   9.8375   2.1648   79.255   51.692  166.078   76.744   7.1557   69.935   12.625   3.1435   7.0498   2.9771 5.575407 4.329515 
1 1 1   10   37   20 o   13.126   2.1883  181.928   54.817  169.554   80.398  192.677   74.935   12.672   3.2522   13.580   2.9288 -0.9079113 4.376574 
1 1 1   10   37   21 o   33.947   0.9552  1128.90   62.815  1157.93   92.326  1103.87   85.709   34.344   1.3849   33.551   1.3160 0.7928467 1.910447 
1 1 1   10   37   22 o   28.395   1.1237  802.273   61.391  724.734   89.974  869.818   83.976   27.062   1.7127   29.727   1.4553 -2.664713 2.247483 
1 1 1   10   37   23 o   28.467   1.1142  794.763   61.238  914.828   91.628  697.838   82.325   30.399   1.5528   26.535   1.5983 3.864286 2.228361 
1 1 1   10   37   24 o   16.289   2.0972  294.643   62.695  219.673   94.581  353.405   83.735   13.979   3.4948   18.599   2.3193 -4.619821 4.194351 
1 1 1   10   37   25 o   11.120   2.4786  140.474   58.875  132.410   97.602  145.087   73.816   10.892   3.7789   11.347   3.2082 -0.4551477 4.957137 
1 1 1   10   38    0 o   47.909   0.9610  2229.89   89.186  2224.65  122.197  2235.86  130.464   47.850   1.3156   47.967   1.4011 -0.1170006 1.921938 
1 1 1   10   38    1 o   61.686   0.8258  3682.80   90.683  3662.56  108.291  3730.31  165.908   61.414   0.9084   61.959   1.3794 -0.5451469 1.651649 
1 1 1   10   38    2 o   19.710   1.4744  367.592   49.003  357.448   56.312  399.240   99.461   19.177   1.5127   20.242   2.5313 -1.064648 2.948825 
1 1 1   10   38    3 o   85.673   0.9496  7223.12  147.917  7401.16  181.206  6867.58  256.070   87.293   1.0694   84.053   1.5694 3.239792 1.899119 
1 1 1   10   38    4 o   34.367   0.9978  1135.78   59.669  1121.01   70.025  1174.94  114.013   33.973   1.0618   34.761   1.6896 -0.7885704 1.995584 
1 1 1   10   38    5 o   92.637   0.9967  8367.50  169.870  8427.18  209.580  8253.22  290.029   93.139   1.1592   92.134   1.6216 1.004990 1.993344 
1 1 1   10   38    6 o   89.683   0.9797  7771.02  160.064  7685.73  194.659  7949.09  281.266   88.948   1.1274   90.419   1.6025 -1.470963 1.959322 
1 1 1   10   38    7 o   43.838   0.8769  1843.32   67.679  1811.33   79.952  1924.19  127.119   43.186   0.9537   44.490   1.4719 -1.304790 1.753879 
1 1 1   10   38    8 o   55.374   0.8679  3013.28   85.071  3063.42  101.744  2896.79  155.089   56.162   0.9333   54.586   1.4636 1.575397 1.735861 
1 1 1   10   38    9 o   94.266   1.0992  8747.21  190.441  8980.87  235.938  8310.35  322.603   96.127   1.2644   92.404   1.7985 3.722549 2.198483 
1 1 1   10   38   10 o   41.041   0.9693  1623.66   71.252  1601.83   85.334  1673.94  129.485   40.602   1.0827   41.479   1.6081 -0.8764725 1.938648 
1 1 1   10   38   11 o   70.060   0.9246  4692.42  115.516  4575.59  137.507  4972.64  212.948   68.625   1.0322   71.495   1.5344 -2.870537 1.849274 
1 1 1   10   38   12 o   15.393   2.3329  270.138   64.698  325.228   78.072  149.359  115.598   18.255   2.2031   12.530   4.1129 5.725176 4.665840 
1 1 1   10   38   13 o   59.232   0.8915  3388.49   97.213  3339.88  119.380  3484.18  167.485   58.623   1.0491   59.841   1.4418 -1.218555 1.783073 
1 1 1   10   38   14 o   58.003   0.7407  3269.98   83.322  3275.58  120.434  3264.84  115.396   58.049   1.0688   57.957   1.0257 0.9169769E-01 1.481333 
1 1 1   10   38   15 o   83.986   0.8404  6861.12  136.993  6946.28  195.814  6779.46  191.725   84.496   1.1938   83.477   1.1832 1.018982 1.680813 
1 1 1   10   38   16 o   53.136   0.7292  2742.86   75.051  2800.75  110.272  2692.90  102.437   53.654   1.0588   52.617   1.0029 1.036770 1.458361 
1 1 1   10   38   17 o   21.355   1.3884  447.751   57.442  475.588   80.777  419.275   81.700   22.035   1.8885   20.674   2.0358 1.360886 2.776830 
1 1 1   10   38   18 o   14.060   2.0892  205.102   56.163  153.544   81.461  251.815   77.538   12.169   3.3449   15.950   2.5043 -3.781163 4.178461 
1 1 1   10   38   19 o   34.610   0.8802  1173.45   58.885  1120.35   86.163  1219.99   80.661   33.862   1.3108   35.358   1.1752 -1.496826 1.760494 
1 1 1   10   38   20 o   25.843   1.1549  660.945   57.534  579.889   82.115  739.110   80.637   24.253   1.7442   27.433   1.5142 -3.180321 2.309801 
1 1 1   10   38   21 o   21.141   1.4089  444.693   57.774  440.407   83.129  448.697   80.351   21.031   2.0362   21.251   1.9478 -0.2197723 2.817784 
1 1 1   10   38   22 o   7.3573   2.2321   6.0303   57.036   3.5049   83.994   8.1911   77.696   7.4324   3.2038   7.2822   3.1089 0.1501918 4.464256 
1 1 1   10   38   23 o   8.2152   2.3458   41.397   57.663   54.753   85.530   30.266   78.076   8.6545   3.4274   7.7759   3.2036 0.8786039 4.691514 
1 1 1   10   38   24 o   23.849   1.4041  563.888   64.371  668.252   99.505  488.778   84.415   25.706   1.9941   21.992   1.9774 3.713898 2.808287 
1 1 1   10   39    0 o   52.912   0.8367  2664.09   77.030  2597.24   90.141  2845.05  148.314   51.717   0.8979   54.108   1.4121 -2.391136 1.673371 
1 1 1   10   39    1 o   85.046   0.9386  7019.37  145.796  7003.00  178.117  7052.60  253.801   84.911   1.0806   85.180   1.5349 -0.2686386 1.877169 
1 1 1   10   39    2 o   42.244   0.8787  1691.61   62.649  1650.28   72.070  1819.43  126.733   41.224   0.9006   43.265   1.5090 -2.041012 1.757323 
1 1 1   10   39    3 o   94.658   1.0416  8677.61  180.818  8614.31  221.525  8803.96  312.989   94.164   1.2119   95.152   1.6945 -0.9877625 2.083298 
1 1 1   10   39    4 o   39.200   0.9626  1525.46   64.954  1565.01   76.491  1423.20  122.989   40.142   0.9816   38.258   1.6561 1.884674 1.925154 
1 1 1   10   39    5 o   98.976   1.0630  9413.49  189.524  9234.55  227.753  9816.41  341.762   97.492   1.2034  100.460   1.7525 -2.967697 2.125943 
1 1 1   10   39    6 o   54.534   0.8762  2901.58   84.773  2919.09  101.277  2860.59  154.939   54.823   0.9517   54.246   1.4714 0.5770302 1.752328 
1 1 1   10   39    7 o   66.498   0.8830  4301.62  106.222  4309.53  128.756  4284.76  187.954   66.609   0.9958   66.388   1.4585 0.2208252 1.766000 
1 1 1   10   39    8 o   44.720   0.9612  2001.35   76.662  2098.81   93.037  1795.24  135.303   46.481   1.0311   42.959   1.6225 3.521301 1.922434 
1 1 1   10   39    9 o   37.359   1.0041  1309.58   66.931  1241.91   79.263  1477.74  124.946   35.749   1.1422   38.970   1.6517 -3.220940 2.008163 
1 1 1   10   39   10 o   62.724   0.9241  3847.11  103.744  3883.12  124.880  3766.92  186.373   63.221   1.0176   62.228   1.5429 0.9927635 1.848228 
1 1 1   10   39   11 o   90.472   1.0477  7981.50  173.921  8017.76  213.844  7910.65  298.920   90.813   1.2131   90.131   1.7085 0.6820679 2.095352 
1 1 1   10   39   12 o   8.6502   2.5405   21.688   66.099   25.408   79.563   13.401  118.753   8.0259   3.2617   9.2745   3.8960 -1.248674 5.081064 
1 1 1   10   39   13 o   31.789   1.1831  978.743   70.140  964.556   87.466  1004.30  117.400   31.483   1.4312   32.095   1.8844 -0.6113682 2.366268 
1 1 1   10   39   14 o   33.431   1.1291  1039.45   70.316  926.395   86.164  1264.84  121.664   30.846   1.4390   36.016   1.7402 -5.170630 2.258103 
1 1 1   10   39   15 o   8.9504   2.5361   42.315   66.017   67.010   79.741 -11.4901  117.703   9.1883   3.3889   8.7125   3.7740 0.4758053 5.072249 
1 1 1   10   39   16 o   35.555   0.9991  1236.73   68.025  1258.33   89.606  1207.36  104.508   35.937   1.2845   35.173   1.5306 0.7638283 1.998181 
1 1 1   10   39   17 o   9.5495   2.1618   63.907   54.722  164.501   78.008 -33.5571   76.785   12.595   3.1878   6.5042   2.9209 6.090600 4.323670 
1 1 1   10   39   18 o   12.196   2.1078  152.500   50.577  207.687   73.923  103.930   69.350   14.211   2.7792   10.180   3.1699 4.031814 4.215689 
1 1 1   10   39   19 o   10.907   2.2499  124.275   50.607  110.783   77.123  134.477   67.064   10.477   3.3533   11.337   3.0005 -0.8598957 4.499745 
1 1 1   10   39   20 o   12.224   2.2228  157.767   53.743  197.566   77.832  121.500   74.298   13.668   3.0144   10.780   3.2674 2.888743 4.445559 
1 1 1   10   39   21 f   7.3401   2.2077   7.7299   55.143   21.928   79.991  -5.1281   76.121   7.7348   3.2194   6.9455   3.0218 0.7893195 4.415401 
1 1 1   10   39   22 o   7.8112   2.2356   21.504   57.040 -47.3373   85.708   76.235   76.421   6.5271   2.9914   9.0953   3.3232 -2.568172 4.471233 
1 1 1   10   39   23 o   18.263   1.7474  346.567   60.982  306.830   90.821  379.192   82.293   17.192   2.7213   19.334   2.1927 -2.141766 3.494762 
1 1 1   10   39   24 o   8.4499   2.3552   26.438   60.854  123.505   95.599 -39.6878   78.905   10.648   3.7374   6.2519   2.8670 4.396120 4.710394 
1 1 1   10   40    0 o   47.105   0.8270  2165.47   69.465  2180.94   83.326  2130.23  125.777   47.390   0.9058   46.819   1.3839 0.5707932 1.653989 
1 1 1   10   40    1 o   50.699   0.8444  2476.04   73.774  2451.76   86.135  2542.90  142.930   50.247   0.8831   51.151   1.4395 -0.9036980 1.688772 
1 1 1   10   40    2 o   50.622   0.8363  2432.70   74.574  2358.22   87.872  2624.43  140.986   49.278   0.9186   51.965   1.3976 -2.687599 1.672501 
1 1 1   10   40    3 o   79.897   0.9351  6162.59  134.682  6094.96  162.250  6312.45  241.525   79.214   1.0552   80.579   1.5441 -1.365532 1.870179 
1 1 1   10   40    4 o   51.202   0.8828  2631.89   79.203  2755.69   94.873  2347.17  143.874   53.268   0.9175   49.136   1.5084 4.131908 1.765532 
1 1 1   10   40    5 o  104.806   1.1237 10714.34  214.795 10778.72  262.617 10584.24  373.326  105.317   1.2846  104.295   1.8440 1.022469 2.247324 
1 1 1   10   40    6 o   30.097   1.1438  892.164   60.273  907.426   71.558  854.900  111.817   30.559   1.2063   29.634   1.9438 0.9246025 2.287672 
1 1 1   10   40    7 o  118.551   1.2196 13827.24  266.158 14170.74  330.160 13189.67  449.809  120.728   1.4088  116.374   1.9912 4.353264 2.439148 
1 1 1   10   40    8 o  118.904   1.2111 13762.01  262.692 13765.89  320.781 13754.10  457.718  118.985   1.3888  118.823   1.9844 0.1625061 2.422145 
1 1 1   10   40    9 o   70.169   0.9250  4772.36  117.325  4747.94  141.876  4825.21  208.663   69.906   1.0455   70.431   1.5262 -0.5258179 1.849981 
1 1 1   10   40   10 o   26.924   1.3485  679.101   66.460  629.536   80.193  787.807  118.761   25.430   1.6245   28.417   2.1530 -2.986176 2.697058 
1 1 1   10   40   11 o   48.656   0.9540  2235.72   82.687  2141.17   97.980  2469.71  154.129   46.938   1.0753   50.374   1.5762 -3.435368 1.908089 
1 1 1   10   40   12 o  144.074   1.5403 20277.08  399.630 20296.86  482.550 20233.89  713.003  144.344   1.7222  143.805   2.5542 0.5397949 3.080549 
1 1 1   10   40   13 o   37.073   1.0764  1346.99   73.753  1367.33   91.651  1309.61  124.235   37.492   1.2593   36.654   1.7461 0.8376427 2.152816 
1 1 1   10   40   14 o   44.383   0.9712  1938.73   80.485  1996.65  101.692  1841.63  131.679   45.301   1.1564   43.464   1.5607 1.837086 1.942448 
1 1 1   10   40   15 o   26.251   1.4612  705.847   67.790  758.118   82.409  596.445  119.222   27.878   1.5228   24.624   2.4942 3.254259 2.922362 
1 1 1   10   40   16 o   21.689   1.5536  459.681   64.074  449.214   82.278  475.811  102.137   21.403   1.9803   21.976   2.3943 -0.5726433 3.107154 
1 1 1   10   40   17 o   18.600   2.0747  375.697   65.041  417.729   79.114  288.052  114.243   20.618   1.9767   16.582   3.6483 4.036755 4.149367 
1 1 1   10   40   18 o   24.045   1.5079  591.819   66.022  640.497   82.520  505.233  110.057   25.551   1.6637   22.539   2.5154 3.011955 3.015853 
1 1 1   10   40   19 o   38.375   0.9746  1462.82   70.853  1545.81   92.326  1343.93  110.509   39.763   1.1961   36.987   1.5392 2.775345 1.949297 
1 1 1   10   40   20 o   26.312   1.3702  670.107   66.756  631.826   81.836  746.237  115.406   25.296   1.6666   27.328   2.1755 -2.031754 2.740498 
1 1 1   10   40   21 o   9.5749   2.5866   64.901   63.900   38.351   77.694  120.406  112.336   8.0461   3.2396   11.104   4.0334 -3.057721 5.173289 
1 1 1   10   40   22 o   7.6357   2.4050 -44.9150   69.540 -92.6200   85.639   47.423  119.147   5.8491   2.7788   9.4223   3.9261 -3.573113 4.809998 
1 1 1   10   40   23 o   8.3004   2.5318   17.843   72.920   31.415   91.549  -5.7118  120.604   8.1971   3.4307   8.4038   3.7243 -0.2067003 5.063591 
1 1 1   10   40   24 o   9.1203   2.6171   38.813   73.529 -20.2484   93.561  134.214  118.911   7.1541   3.2175   11.087   4.1285 -3.932519 5.234252 
1 1 1   10   41    0 o   61.844   0.8668  3764.61   95.453  3841.00  114.771  3593.23  171.908   62.889   0.9401   60.800   1.4566 2.088326 1.733617 
1 1 1   10   41    1 o   33.265   1.0399  1013.58   56.668  964.441   63.960  1192.96  122.211   31.510   1.0457   35.019   1.7978 -3.508503 2.079791 
1 1 1   10   41    2 o   29.674   1.0983  866.805   57.220  881.654   68.059  831.001  105.684   30.125   1.1639   29.224   1.8630 0.9003849 2.196629 
1 1 1   10   41    3 o   34.008   1.0890  1142.53   62.550  1161.79   72.721  1087.76  122.630   34.583   1.0833   33.433   1.8895 1.149643 2.178038 
1 1 1   10   41    4 o   90.848   1.0039  8000.33  164.922  7960.87  199.498  8085.52  293.107   90.521   1.1353   91.176   1.6561 -0.6551819 2.007884 
1 1 1   10   41    5 o   83.002   0.9550  6720.09  144.852  6766.95  177.477  6626.59  250.693   83.458   1.0955   82.546   1.5645 0.9116745 1.909921 
1 1 1   10   41    6 o   28.017   1.3176  814.809   60.988  868.438   71.164  666.477  118.353   29.892   1.2264   26.141   2.3323 3.751186 2.635113 
1 1 1   10   41    7 o   24.135   1.4895  575.922   62.838  587.071   74.580  548.640  116.668   24.566   1.5640   23.704   2.5355 0.8617477 2.979050 
1 1 1   10   41    8 o   82.549   0.9837  6522.06  145.605  6361.30  174.092  6896.29  265.619   80.910   1.1084   84.188   1.6253 -3.277832 1.967314 
1 1 1   10   41    9 o   10.504   2.6338   80.708   63.751   53.891   76.589  141.202  115.031   8.7228   3.2998   12.286   4.1059 -3.563054 5.267568 
1 1 1   10   41   10 o   40.866   0.9897  1639.71   71.691  1662.56   85.772  1586.76  130.585   41.361   1.0683   40.371   1.6663 0.9906197 1.979360 
1 1 1   10   41   11 o   18.434   2.1930  362.034   68.696  397.990   83.246  285.280  121.627   20.195   2.1235   16.672   3.8376 3.522282 4.385972 
1 1 1   10   41   12 o   38.640   1.1077  1458.51   76.115  1465.41   91.075  1442.54  138.614   38.818   1.2086   38.462   1.8565 0.3555984 2.215313 
1 1 1   10   41   13 o   59.939   0.9317  3478.72  102.493  3441.26  125.575  3553.49  177.391   59.486   1.0875   60.392   1.5132 -0.9066467 1.863403 
1 1 1   10   41   14 o   41.374   0.9834  1694.30   75.695  1766.76   95.552  1572.23  124.033   42.606   1.1553   40.142   1.5917 2.463661 1.966818 
1 1 1   10   41   15 o   26.860   1.6889  709.956   88.020  708.543  126.238  711.293  122.791   26.828   2.4240   26.891   2.3523 -0.6304741E-01 3.377752 
1 1 1   10   41   16 o   20.540   1.6227  416.519   63.427  419.181   82.166  412.593   99.776   20.653   2.0495   20.426   2.5163 0.2268295 3.245345 
1 1 1   10   41   17 o   33.707   1.1546  1085.11   70.609  1037.64   84.950  1191.21  126.994   32.595   1.3426   34.819   1.8789 -2.224770 2.309282 
1 1 1   10   41   18 o   7.5629   2.2911 -40.3064   61.362 -100.2504   76.472   68.065  102.823   5.3945   2.5804   9.7313   3.7865 -4.336798 4.582135 
1 1 1   10   41   19 o   11.351   2.4560  134.375   59.049  121.729   79.873  149.617   87.689   10.832   3.4066   11.870   3.5389 -1.038026 4.912087 
1 1 1   10   41   20 o   18.853   1.9756  371.610   66.101  383.456   81.776  349.279  112.274   19.590   2.1504   18.116   3.3147 1.473894 3.951159 
1 1 1   10   41   21 o   17.238   2.2880  349.199   67.602  404.492   82.360  235.028  118.348   20.067   2.1144   14.409   4.0583 5.657661 4.576039 
1 1 1   10   41   22 o   44.310   1.0626  1947.80   86.470  1953.76  106.489  1936.27  148.157   44.557   1.2312   44.062   1.7322 0.4950218 2.125141 
1 1 1   10   41   23 o   24.537   1.7292  650.732   76.632  721.704   96.351  528.545  126.422   26.765   1.8545   22.310   2.9192 4.455296 3.458441 
1 1 1   10   42    0 o   26.780   1.2919  703.393   56.065  708.034   63.791  687.639  117.530   26.994   1.2174   26.566   2.2791 0.4283466 2.583833 
1 1 1   10   42    1 o   62.818   0.8839  3812.45   97.372  3783.36  114.990  3886.15  183.051   62.413   0.9491   63.223   1.4915 -0.8104973 1.767899 
1 1 1   10   42    2 f   11.912   2.3697  156.550   56.392  186.503   64.623   60.922  115.466   13.611   2.5392   10.213   4.0019 3.398094 4.739482 
1 1 1   10   42    3 o   59.166   0.8808  3416.31   92.654  3438.09  110.877  3365.91  168.689   59.495   0.9601   58.837   1.4770 0.6575241 1.761559 
1 1 1   10   42    4 o  120.393   1.2218 14005.59  268.514 13818.52  327.010 14392.77  470.454  119.218   1.4130  121.568   1.9936 -2.349380 2.443568 
1 1 1   10   42    5 o   37.068   1.0514  1368.58   68.382  1414.96   81.680  1259.88  125.034   38.160   1.1027   35.975   1.7904 2.184826 2.102740 
1 1 1   10   42    6 o   75.420   0.9410  5492.47  127.155  5433.51  152.421  5627.42  230.598   74.783   1.0500   76.058   1.5619 -1.275589 1.881991 
1 1 1   10   42    7 o   50.593   0.9248  2519.84   81.782  2562.10   96.981  2415.80  152.159   51.355   0.9728   49.831   1.5730 1.524052 1.849532 
1 1 1   10   42    8 o   76.974   0.9735  5756.87  135.824  5746.14  164.775  5779.63  239.908   76.891   1.1040   77.057   1.6039 -0.1658859 1.947074 
1 1 1   10   42    9 f   53.715   0.9080  2802.01   88.665  2795.33  107.837  2815.95  155.775   53.634   1.0358   53.797   1.4917 -0.1630020 1.816017 
1 1 1   10   42   10 o  102.281   1.1286 10264.58  212.102 10438.83  262.018  9933.33  361.254  103.602   1.3029  100.960   1.8433 2.641953 2.257263 
1 1 1   10   42   11 o   63.812   0.9272  3975.19  108.107  4003.11  132.443  3919.46  187.133   64.174   1.0632   63.451   1.5193 0.7231522 1.854368 
1 1 1   10   42   12 o   97.989   1.1113  9367.19  200.095  9391.81  246.287  9319.38  343.194   98.240   1.2915   97.739   1.8089 0.5019302 2.222595 
1 1 1   10   42   13 o   13.013   2.4982  185.008   65.529  222.744   79.731  106.469  115.027   14.785   2.8817   11.240   4.0816 3.544304 4.996370 
1 1 1   10   42   14 o   12.652   2.4834  157.149   63.418  116.037   82.677  215.917   98.848   10.874   3.4711   14.430   3.5527 -3.555606 4.966888 
1 1 1   10   42   15 o   70.741   0.9642  4884.31  124.177  4888.63  151.396  4875.43  217.073   70.852   1.1008   70.630   1.5833 0.2217255 1.928323 
1 1 1   10   42   16 o   35.646   1.0667  1242.45   70.529  1242.61   87.693  1242.16  118.683   35.688   1.2658   35.604   1.7172 0.8381653E-01 2.133335 
1 1 1   10   42   17 o   9.5625   2.4462   72.580   65.090  130.282   79.692 -43.0565  112.814   11.248   3.3783   7.8772   3.5388 3.370558 4.892449 
1 1 1   10   42   18 o   27.955   1.2750  766.784   66.175  756.107   82.121  786.555  111.753   27.745   1.5248   28.165   2.0440 -0.4201946 2.550094 
1 1 1   10   42   19 o   28.733   1.1615  816.832   63.991  828.600   84.543  801.047   97.918   29.015   1.5010   28.451   1.7730 0.5642643 2.323031 
1 1 1   10   42   20 o   7.1384   2.2842 -33.7983   63.381 -37.4342   76.932 -26.1169  111.822   6.3230   2.8733   7.9538   3.5517 -1.630797 4.568391 
1 1 1   10   42   21 o   24.000   1.5947  571.507   69.922  549.305   84.883  618.370  123.324   23.447   1.8650   24.554   2.5874 -1.107328 3.189492 
1 1 1   10   42   22 o   8.9298   2.6295   33.957   71.908   6.7540   87.999   88.624  124.749   7.5524   3.2673   10.307   4.1209 -2.754857 5.258990 
1 1 1   10   42   23 o   7.0826   2.3174 -50.7321   72.030 -51.6713   89.826 -49.0402  120.554   6.5085   3.0114   7.6566   3.5232 -1.148084 4.634827 
1 1 1   10   43    0 o   67.479   0.9150  4444.44  109.850  4473.21  131.524  4378.10  199.753   67.860   0.9984   67.098   1.5336 0.7621460 1.829993 
1 1 1   10   43    1 o   58.119   0.8930  3275.74   90.242  3266.87  106.121  3298.92  171.500   57.995   0.9426   58.244   1.5169 -0.2495041 1.785904 
1 1 1   10   43    2 o   87.978   1.0182  7559.37  161.485  7616.78  195.449  7435.88  286.655   88.537   1.1372   87.419   1.6892 1.117195 2.036360 
1 1 1   10   43    3 o   91.468   1.0388  8147.86  171.016  8167.10  206.432  8105.77  305.339   91.674   1.1600   91.261   1.7236 0.4128647 2.077581 
1 1 1   10   43    4 o   89.758   1.0352  7815.97  168.209  7781.99  203.720  7888.76  298.175   89.485   1.1728   90.032   1.7061 -0.5471344 2.070337 
1 1 1   10   43    5 o   85.208   1.0055  6992.71  154.296  6882.60  185.524  7239.74  277.878   84.159   1.1356   86.257   1.6596 -2.097763 2.010921 
1 1 1   10   43    6 o   86.298   0.9936  7181.71  154.919  7078.72  186.844  7408.24  277.113   85.346   1.1278   87.249   1.6362 -1.902946 1.987206 
1 1 1   10   43    7 o   61.721   0.9049  3753.87  101.971  3856.02  125.501  3555.44  174.925   62.993   1.0263   60.449   1.4907 2.544678 1.809870 
1 1 1   10   43    8 o   19.744   1.9056  439.499   61.157  532.666   75.685  264.221  103.811   23.390   1.6669   16.097   3.4274 7.293886 3.811255 
1 1 1   10   43    9 o   86.245   1.0269  7184.51  160.779  7089.57  194.800  7387.37  284.757   85.396   1.1751   87.095   1.6843 -1.699615 2.053717 
1 1 1   10   43   10 o   63.325   0.9179  3941.53  107.365  4038.57  133.666  3765.09  180.242   64.458   1.0683   62.193   1.4930 2.264622 1.835799 
1 1 1   10   43   11 o   36.991   1.0636  1343.06   70.576  1360.44   85.197  1305.05  125.993   37.400   1.1735   36.582   1.7743 0.8182106 2.127246 
1 1 1   10   43   12 o   61.164   0.9385  3618.87  104.700  3573.35  127.443  3713.38  183.640   60.610   1.0832   61.718   1.5328 -1.108051 1.876936 
1 1 1   10   43   13 o   34.010   1.1876  1124.07   73.427  1113.96   89.180  1145.36  129.380   33.810   1.3588   34.210   1.9482 -0.4007683 2.375293 
1 1 1   10   43   14 o   62.281   0.9318  3772.49  106.719  3752.94  131.211  3810.68  183.430   62.087   1.0887   62.474   1.5125 -0.3869591 1.863595 
1 1 1   10   43   15 o   21.704   1.9394  536.078   67.978  646.031   83.917  326.207  115.937   25.687   1.6829   17.720   3.4946 7.966858 3.878772 
1 1 1   10   43   16 o   23.074   1.4613  503.496   63.011  451.988   77.613  603.092  107.924   21.445   1.8644   24.702   2.2507 -3.256601 2.922612 
1 1 1   10   43   17 o   16.280   2.2168  272.407   65.597  269.004   81.382  278.719  110.832   16.396   2.5570   16.165   3.6219 0.2311993 4.433546 
1 1 1   10   43   18 o   27.162   1.3262  742.689   66.630  773.276   83.581  689.357  110.365   28.033   1.5360   26.292   2.1624 1.740496 2.652408 
1 1 1   10   43   19 o   14.956   2.2580  235.525   62.551  221.898   80.530  256.251   99.314   14.488   2.9633   15.424   3.4078 -0.9358320 4.515992 
1 1 1   10   43   20 o   8.6295   2.5348   25.150   66.345   0.2411   80.761   76.850  116.350   7.2144   3.1256   10.045   3.9914 -2.830280 5.069541 
1 1 1   10   43   21 o   7.5934   2.3203 -14.2980   68.960   57.290   84.361 -158.4640  119.716   8.6775   3.4143   6.5094   3.1429 2.168082 4.640596 
1 1 1   10   43   22 o   31.605   1.3377  1002.55   78.972  990.774   98.907  1023.26  131.168   31.509   1.6171   31.702   2.1315 -0.1934185 2.675455 
1 1 1   10   44    0 o   33.195   1.0902  1070.71   70.250  1070.71   70.250   0.0000   0.0000   33.195   1.0902  ?   ?       ?      ? 
1 1 1   10   44    1 o   48.802   0.9216  2329.46   78.063  2347.32   91.940  2283.31  147.771   49.156   0.9635   48.447   1.5713 0.7097740 1.843188 
1 1 1   10   44    2 o  105.380   1.1423 10797.11  219.469 10782.72  267.741 10826.60  383.161  105.317   1.3096  105.443   1.8720 -0.1262665 2.284595 
1 1 1   10   44    3 o   90.671   1.0324  8038.16  169.904  8118.18  207.003  7872.97  297.424   91.399   1.1667   89.944   1.7035 1.454643 2.064741 
1 1 1   10   44    4 o   13.048   2.5716  164.268   62.157  155.601   72.765  187.662  119.547   12.364   3.0506   13.732   4.1407 -1.367789 5.143116 
1 1 1   10   44    5 o   28.496   1.2538  759.131   63.026  718.387   73.994  866.831  120.302   27.177   1.4026   29.816   2.0786 -2.638483 2.507522 
1 1 1   10   44    6 o   40.159   0.9655  1525.95   71.182  1444.18   86.440  1698.22  125.464   38.545   1.1553   41.773   1.5473 -3.227852 1.930973 
1 1 1   10   44    7 o   80.529   0.9721  6334.83  143.564  6391.96  176.629  6223.58  246.443   81.095   1.1220   79.963   1.5877 1.131546 1.944126 
1 1 1   10   44    8 o   97.334   1.0784  9226.14  191.663  9236.08  234.304  9206.02  333.212   97.460   1.2385   97.209   1.7658 0.2511292 2.156847 
1 1 1   10   44    9 o   28.248   1.3146  743.447   68.100  680.007   82.167  882.637  121.708   26.425   1.6018   30.071   2.0850 -3.646006 2.629278 
1 1 1   10   44   10 o   29.215   1.2434  779.862   66.156  692.591   78.990  984.900  121.075   26.667   1.5259   31.764   1.9636 -5.097292 2.486815 
1 1 1   10   44   11 o   23.306   1.5628  527.207   67.092  517.326   82.388  546.660  115.598   23.016   1.8441   23.596   2.5238 -0.5802689 3.125684 
1 1 1   10   44   12 o   52.661   0.9443  2751.25   89.982  2845.19  110.066  2561.94  156.250   54.079   1.0485   51.242   1.5708 2.836929 1.888588 
1 1 1   10   44   13 o   88.092   1.0677  7620.17  172.552  7717.51  212.616  7432.36  295.333   89.004   1.2306   87.180   1.7451 1.823753 2.135390 
1 1 1   10   44   14 o   68.877   0.9433  4644.26  119.633  4678.65  147.777  4578.87  203.787   69.306   1.0984   68.447   1.5338 0.8584595 1.886517 
1 1 1   10   44   15 o   8.1434   2.2720   12.257   63.194   93.344   76.820 -157.4734  111.143   9.9144   3.3552   6.3724   3.0645 3.541986 4.544027 
1 1 1   10   44   16 o   11.593   2.4681  140.759   60.435  158.779   78.963  115.273   93.903   12.295   3.2567   10.891   3.7094 1.403543 4.936204 
1 1 1   10   44   17 f   12.255   2.5932  160.568   65.170  170.136   80.413  142.256  111.246   12.651   3.2554   11.859   4.0375 0.7923946 5.186404 
1 1 1   10   44   18 o   23.838   1.4234  559.307   64.293  538.030   81.773  593.755  104.046   23.308   1.8073   24.369   2.1995 -1.060566 2.846821 
1 1 1   10   44   19 o   31.363   1.1767  985.750   67.880  1014.14   84.310  933.432  114.446   32.116   1.3524   30.610   1.9260 1.505972 2.353402 
1 1 1   10   44   20 o   14.977   2.4038  268.259   67.404  316.620   81.891  166.672  118.688   17.639   2.3917   12.314   4.1704 5.324658 4.807540 
1 1 1   10   44   21 o   22.111   1.7867  506.021   71.952  510.169   88.221  497.779  124.350   22.481   2.0216   21.741   2.9465 0.7402725 3.573331 
1 1 1   10   44   22 o   20.395   2.0505  457.607   74.449  485.595   93.586  409.366  122.865   21.741   2.2175   19.049   3.4498 2.692324 4.100999 
1 1 1   10   45    0 o   12.511   2.2902  176.012   54.416  205.575   61.830   74.435  114.608   14.521   2.1935   10.500   4.0210 4.020741 4.580381 
1 1 1   10   45    1 o   26.927   1.2785  708.895   60.094  712.780   70.995  699.077  112.862   27.076   1.3508   26.778   2.1712 0.2980213 2.557095 
1 1 1   10   45    2 o   67.368   0.9316  4364.29  111.265  4295.88  132.149  4530.89  206.229   66.494   1.0238   68.242   1.5568 -1.748138 1.863270 
1 1 1   10   45    3 o   66.170   0.9293  4335.24  110.550  4472.40  134.359  4047.77  194.513   67.844   1.0202   64.495   1.5537 3.348534 1.858683 
1 1 1   10   45    4 o  102.784   1.1183 10305.46  209.594 10349.28  256.087 10216.57  364.778  103.166   1.2787  102.403   1.8351 0.7634888 2.236669 
1 1 1   10   45    5 o   15.876   2.1295  271.841   58.142  302.881   70.154  203.751  103.904   17.624   2.0506   14.128   3.7328 3.496185 4.258926 
1 1 1   10   45    6 o   86.016   1.0123  7204.37  159.688  7217.95  196.112  7177.65  275.093   86.169   1.1724   85.862   1.6505 0.3066025 2.024527 
1 1 1   10   45    7 o   50.872   0.9203  2536.76   85.018  2574.03  103.752  2460.59  148.327   51.464   1.0386   50.279   1.5197 1.184624 1.840698 
1 1 1   10   45    8 f  102.454   1.1319 10329.48  213.869 10578.40  265.781  9872.24  360.226  104.280   1.3130  100.628   1.8441 3.651421 2.263779 
1 1 1   10   45    9 o   66.147   0.9189  4260.01  111.733  4265.33  137.532  4249.68  191.627   66.235   1.0697   66.060   1.4944 0.1753006 1.837743 
1 1 1   10   45   10 o   65.887   0.9319  4242.76  112.180  4275.09  137.450  4178.27  194.138   66.299   1.0680   65.474   1.5275 0.8250885 1.863812 
1 1 1   10   45   11 o   52.028   0.9068  2664.50   88.399  2750.27  112.307  2524.80  143.321   53.166   1.0882   50.891   1.4508 2.274929 1.813559 
1 1 1   10   45   12 o   45.048   0.9852  1997.84   80.240  2032.45   97.623  1925.78  140.875   45.695   1.1006   44.402   1.6344 1.292389 1.970432 
1 1 1   10   45   13 o   9.8130   2.5558   37.529   64.455 -17.4867   77.296  163.090  116.773   6.8526   3.0115   12.773   4.1302 -5.920757 5.111571 
1 1 1   10   45   14 o   21.954   1.6073  496.061   64.390  548.712   81.293  407.412  105.484   23.657   1.7703   20.252   2.6832 3.404375 3.214540 
1 1 1   10   45   15 o   24.954   1.4226  599.348   64.706  573.081   78.208  656.341  115.202   24.169   1.6670   25.739   2.3057 -1.570496 2.845189 
1 1 1   10   45   16 o   34.383   1.0768  1152.88   69.467  1130.78   87.290  1191.05  114.720   33.985   1.3232   34.782   1.6991 -0.7965126 2.153548 
1 1 1   10   45   17 f   24.348   1.5507  607.797   68.355  640.262   84.284  545.409  116.840   25.460   1.7054   23.236   2.5904 2.223646 3.101331 
1 1 1   10   45   18 o   22.438   1.4326  494.728   61.945  442.182   81.888  565.019   94.711   21.071   2.0020   23.805   2.0496 -2.733112 2.865122 
1 1 1   10   45   19 o   7.1386   2.1808 -32.9664   63.770   54.543   79.722 -188.4367  106.261   8.5271   3.3296   5.7501   2.8171 2.777004 4.361508 
1 1 1   10   45   20 o   10.498   2.6550  113.283   67.791  127.969   83.197   84.267  116.941   10.874   3.4831   10.122   4.0079 0.7521820 5.309965 
1 1 1   10   45   21 o   21.850   1.7717  499.642   70.760  511.418   87.464  477.332  120.386   22.475   2.0048   21.225   2.9219 1.249704 3.543488 
1 1 1   10   46    0 o   58.107   0.8934  3195.31   90.722  3087.84  106.267  3484.19  174.223   56.375   0.9711   59.840   1.4998 -3.465736 1.786759 
1 1 1   10   46    1 o   27.602   1.3306  717.009   61.790  692.927   70.837  793.639  126.359   26.691   1.3672   28.512   2.2830 -1.820518 2.661105 
1 1 1   10   46    2 o   71.063   0.9531  4919.05  120.817  4930.61  144.792  4892.54  219.217   71.230   1.0472   70.897   1.5929 0.3332520 1.906253 
1 1 1   10   46    3 o  100.964   1.1262  9987.03  210.428 10142.90  261.915  9703.23  353.417  102.127   1.3212   99.801   1.8243 2.325874 2.252414 
1 1 1   10   46    4 o   60.353   1.0518  3545.60  123.172  3619.20  173.014  3469.96  175.393   60.991   1.4613   59.715   1.5131 1.275879 2.103535 
1 1 1   10   46    5 o   42.165   0.9639  1722.58   73.316  1711.04   88.468  1747.90  131.005   41.957   1.0862   42.373   1.5927 -0.4155197 1.927839 
1 1 1   10   46    6 o   42.675   0.9865  1723.12   75.595  1648.65   90.127  1899.83  138.833   41.181   1.1274   44.170   1.6192 -2.988415 1.973053 
1 1 1   10   46    7 o   73.584   0.9694  5318.80  129.739  5415.76  158.719  5123.58  225.218   74.638   1.0955   72.530   1.5996 2.107681 1.938780 
1 1 1   10   46    8 o   47.387   0.9791  2188.57   83.819  2193.33  101.498  2178.36  148.633   47.493   1.1009   47.280   1.6195 0.2131729 1.958240 
1 1 1   10   46    9 o   46.420   0.9582  2066.71   79.835  2017.09   95.552  2181.42  145.293   45.539   1.0809   47.301   1.5824 -1.761497 1.916322 
1 1 1   10   46   10 o   11.748   2.6359  132.464   65.726  119.984   82.683  153.887  108.327   11.025   3.4658   12.472   3.9724 -1.446752 5.271786 
1 1 1   10   46   11 o   31.686   1.1906  965.485   67.711  941.268   81.031  1021.53  123.265   31.076   1.3433   32.296   1.9662 -1.219938 2.381258 
1 1 1   10   46   12 o   22.821   1.5646  507.017   65.432  496.505   79.898  528.424  114.020   22.514   1.8282   23.129   2.5396 -0.6145420 3.129187 
1 1 1   10   46   13 o   36.536   1.0998  1305.00   72.342  1304.16   87.308  1306.84  129.213   36.569   1.2299   36.502   1.8236 0.6636429E-01 2.199562 
1 1 1   10   46   14 o   6.5718   2.0734 -61.8108   60.280   22.495   77.429 -191.5276   96.044   7.7589   3.1927   5.3847   2.6462 2.374155 4.146763 
1 1 1   10   46   15 o   15.093   2.3772  236.475   65.925  223.967   82.594  258.435  109.434   14.642   3.0066   15.545   3.6831 -0.9032364 4.754461 
1 1 1   10   46   16 o   15.840   2.2536  274.444   64.031  300.858   78.993  223.832  109.342   17.338   2.3470   14.341   3.8478 2.997246 4.507135 
1 1 1   10   46   17 o   21.900   1.6723  489.290   66.023  503.606   80.555  459.992  115.235   22.541   1.8410   21.258   2.7924 1.282850 3.344687 
1 1 1   10   46   18 f   13.893   2.4517  202.031   64.537  169.273   81.425  257.382  105.842   12.490   3.3065   15.296   3.6208 -2.806538 4.903376 
1 1 1   10   46   19 o   11.479   2.5985  121.233   65.545   67.287   80.807  224.991  112.068   8.8931   3.3833   14.065   3.9449 -5.171582 5.197002 
1 1 1   10   46   20 o   19.997   2.0264  434.766   70.557  458.482   86.740  388.386  121.302   21.276   2.1002   18.718   3.4661 2.558315 4.052789 
1 1 1   10   46   21 o   13.693   2.6743  218.649   71.549  215.288   89.123  224.741  120.001   13.754   3.3656   13.633   4.1570 0.1210966 5.348648 
1 1 1   10   47    0 o   50.256   0.9591  2489.06   82.711  2527.49   96.953  2386.33  158.526   51.003   0.9793   49.510   1.6495 1.493130 1.918260 
1 1 1   10   47    1 o   16.354   2.1589  254.236   60.538  237.975   70.791  298.490  116.787   15.611   2.3361   17.096   3.6312 -1.485617 4.317705 
1 1 1   10   47    2 o   15.497   2.3675  267.756   59.122  290.334   66.777  185.869  127.173   17.256   1.9935   13.737   4.2950 3.519262 4.735079 
1 1 1   10   47    3 o   39.933   1.0188  1523.32   73.316  1477.81   87.922  1627.19  132.829   38.989   1.1617   40.877   1.6740 -1.887806 2.037574 
1 1 1   10   47    4 o  112.341   1.2300 12341.37  255.387 12447.74  316.848 12144.09  431.483  113.101   1.4432  111.582   1.9921 1.518654 2.459902 
1 1 1   10   47    5 o   69.909   0.9479  4739.19  119.844  4712.34  144.974  4797.14  212.980   69.627   1.0726   70.191   1.5631 -0.5646591 1.895744 
1 1 1   10   47    6 o   53.026   0.9598  2776.05   91.240  2843.69  110.425  2630.52  161.975   54.086   1.0518   51.965   1.6057 2.120548 1.919515 
1 1 1   10   47    7 o   25.631   1.4806  665.598   66.012  698.702   78.797  587.676  120.892   26.781   1.5157   24.480   2.5440 2.300987 2.961282 
1 1 1   10   47    8 o   48.990   0.9636  2356.84   84.567  2388.65  101.993  2286.87  151.275   49.557   1.0602   48.424   1.6093 1.133320 1.927185 
1 1 1   10   47    9 o   47.206   0.9816  2181.22   84.155  2199.19  102.553  2144.18  147.253   47.539   1.1113   46.873   1.6184 0.6663895 1.963200 
1 1 1   10   47   10 o   37.358   1.0949  1389.04   72.940  1433.19   88.105  1292.85  130.037   38.364   1.1831   36.353   1.8427 2.011318 2.189833 
1 1 1   10   47   11 o   26.738   1.3151  700.768   65.555  701.730   82.053  699.070  109.003   26.798   1.5773   26.678   2.1049 0.1205292 2.630281 
1 1 1   10   47   12 o   21.593   1.5571  441.318   62.601  400.068   76.807  522.941  108.044   20.182   1.9605   23.003   2.4196 -2.821041 3.114185 
1 1 1   10   47   13 o   48.115   0.9649  2276.07   84.778  2305.06  103.981  2218.60  146.417   48.629   1.1015   47.600   1.5846 1.029022 1.929845 
1 1 1   10   47   14 o   9.9166   2.4613   87.194   64.059  139.010   80.222  -3.9893  106.418   11.549   3.3696   8.2839   3.5884 3.265522 4.922515 
1 1 1   10   47   15 o   25.024   1.4241  590.379   66.662  514.756   82.036  737.372  114.375   22.822   1.8518   27.226   2.1641 -4.403658 2.848240 
1 1 1   10   47   16 o   42.986   1.0124  1822.65   81.357  1840.36  102.447  1792.40  133.867   43.345   1.2176   42.627   1.6178 0.7176132 2.024788 
1 1 1   10   47   17 o   11.564   2.6330  126.164   66.138   83.892   82.044  204.615  111.767   9.5223   3.4487   13.606   3.9796 -4.083467 5.265999 
1 1 1   10   47   18 o   13.044   2.7059  189.625   77.776  105.095  113.238  265.112  107.010   10.634   4.0149   15.455   3.6290 -4.820221 5.411897 
1 1 1   10   47   19 o   13.807   2.5625  214.779   67.566  217.222   83.552  210.162  114.857   14.098   3.1342   13.515   4.0550 0.5838366 5.125021 
1 1 1   10   47   20 o   30.420   1.2967  919.050   72.286  895.070   88.255  967.925  125.995   29.995   1.5157   30.845   2.1043 -0.8501091 2.593341 
1 1 1   10   48    0 o   84.176   1.0398  6878.52  156.905  6851.79  188.492  6938.83  283.152   83.952   1.1566   84.399   1.7283 -0.4470596 2.079610 
1 1 1   10   48    1 o   90.253   1.0797  7989.13  177.334  8105.73  216.848  7753.72  308.124   91.301   1.2235   89.204   1.7794 2.096573 2.159464 
1 1 1   10   48    2 o   90.937   1.0830  8085.75  177.814  8148.05  215.513  7952.93  314.697   91.538   1.2128   90.336   1.7946 1.202888 2.166010 
1 1 1   10   48    3 o   35.223   1.1638  1182.73   71.727  1150.52   84.209  1267.88  136.905   34.394   1.2613   36.052   1.9562 -1.658802 2.327597 
1 1 1   10   48    4 o   28.711   1.3850  864.030   64.512  922.092   74.736  694.292  127.783   30.789   1.2505   26.633   2.4717 4.156193 2.769962 
1 1 1   10   48    5 o   49.917   0.9764  2497.84   87.793  2635.71  107.620  2223.56  151.791   52.066   1.0648   47.767   1.6370 4.299763 1.952862 
1 1 1   10   48    6 o   8.3480   2.2891   29.685   60.440   91.749   71.279 -129.1283  114.020   9.8322   3.2298   6.8639   3.2448 2.968283 4.578263 
1 1 1   10   48    7 o   43.458   1.0021  1846.55   78.864  1857.93   95.806  1822.63  138.893   43.698   1.1295   43.219   1.6555 0.4785843 2.004116 
1 1 1   10   48    8 o   61.781   0.9266  3738.32  103.111  3772.78  124.768  3664.06  183.130   62.276   1.0321   61.287   1.5393 0.9890289 1.853299 
1 1 1   10   48    9 o   55.910   0.9449  3029.20   94.729  3001.08  113.681  3093.06  171.350   55.533   1.0546   56.288   1.5682 -0.7551727 1.889808 
1 1 1   10   48   10 o   18.468   1.9909  336.775   64.184  327.168   76.855  358.922  116.687   18.244   2.1702   18.692   3.3384 -0.4484692 3.981750 
1 1 1   10   48   11 o   20.477   1.6904  384.833   64.248  319.984   78.092  520.666  113.021   18.019   2.2326   22.934   2.5387 -4.915232 3.380749 
1 1 1   10   48   12 o   41.062   1.0125  1666.40   74.899  1698.86   90.920  1597.85  132.119   41.746   1.1220   40.377   1.6857 1.369747 2.024902 
1 1 1   10   48   13 o   43.048   1.0229  1840.44   80.348  1894.45   98.938  1735.82  137.697   44.056   1.1569   42.040   1.6873 2.016659 2.045831 
1 1 1   10   48   14 o   27.472   1.3825  757.707   69.329  780.915   85.495  713.142  118.476   28.190   1.5624   26.754   2.2813 1.436451 2.764989 
1 1 1   10   48   15 o   27.434   1.3379  783.705   66.288  871.876   83.113  629.580  109.886   29.785   1.4375   25.082   2.2569 4.702196 2.675804 
1 1 1   10   48   16 o   37.702   1.1042  1389.80   77.893  1359.00   97.438  1444.33  129.653   37.202   1.3493   38.203   1.7483 -1.000500 2.208429 
1 1 1   10   48   17 o   8.4117   2.4522   32.506   66.366   67.517   83.245 -28.5611  109.941   9.0089   3.4324   7.8144   3.5032 1.194450 4.904480 
1 1 1   10   48   18 o   14.507   2.3766  226.543   65.631  179.178   86.688  290.150  100.459   12.714   3.4324   16.301   3.2882 -3.586778 4.753247 
1 1 1   10   48   19 o   20.457   2.0368  466.455   70.742  508.647   86.524  381.385  122.861   22.450   1.9854   18.463   3.5570 3.986914 4.073636 
1 1 1   10   48   20 o   13.479   2.6160  222.606   71.675  256.564   88.901  159.534  121.157   15.186   3.1202   11.772   4.1997 3.413323 5.231956 
1 1 1   10   49    0 o   46.597   1.0026  2101.42   81.224  2086.91   95.419  2139.59  154.773   46.335   1.0609   46.860   1.7015 -0.5253105 2.005122 
1 1 1   10   49    1 o   60.902   0.9726  3684.32  104.526  3796.38  125.224  3426.85  189.809   62.495   1.0322   59.308   1.6487 3.187111 1.945157 
1 1 1   10   49    2 o   62.232   0.9354  3786.75  102.059  3811.49  120.945  3725.57  190.199   62.621   0.9950   61.843   1.5843 0.7776260 1.870851 
1 1 1   10   49    3 o   25.597   1.4627  628.606   67.275  610.466   80.513  670.570  122.457   25.026   1.6573   26.168   2.4107 -1.141615 2.925467 
1 1 1   10   49    4 o   24.788   1.3986  587.556   63.094  564.987   76.206  636.746  112.504   24.073   1.6308   25.503   2.2726 -1.429649 2.797123 
1 1 1   10   49    5 o   34.233   1.0766  1132.04   67.886  1110.34   83.330  1174.85  117.055   33.772   1.2711   34.694   1.7381 -0.9219208 2.153291 
1 1 1   10   49    6 o   47.083   0.9269  2138.61   81.144  2089.35  100.611  2230.28  137.248   46.337   1.1185   47.829   1.4783 -1.491554 1.853742 
1 1 1   10   49    7 o   43.701   0.9384  1854.67   76.695  1838.15   96.132  1883.59  127.206   43.456   1.1396   43.946   1.4912 -0.4892883 1.876769 
1 1 1   10   49    8 o   49.921   0.8998  2436.68   81.089  2451.27   98.230  2405.48  143.670   50.193   1.0082   49.649   1.4907 0.5435181 1.799610 
1 1 1   10   49    9 o   19.352   1.9911  395.457   66.396  431.424   81.615  325.069  114.174   20.967   2.0052   17.736   3.4404 3.231430 3.982117 
1 1 1   10   49   10 o   22.609   1.5881  493.312   64.307  477.129   76.726  531.523  117.898   22.063   1.7915   23.156   2.6228 -1.093899 3.176279 
1 1 1   10   49   11 o   24.112   1.5265  573.355   65.779  573.439   78.970  573.165  118.877   24.190   1.6818   24.035   2.5479 0.1547165 3.052917 
1 1 1   10   49   12 o   37.529   1.0243  1371.09   72.695  1345.84   92.488  1411.90  117.584   37.113   1.2838   37.944   1.5964 -0.8309517 2.048548 
1 1 1   10   49   13 o   18.682   1.9816  365.759   64.666  384.016   79.329  329.599  111.642   19.682   2.0764   17.682   3.3757 1.999540 3.963206 
1 1 1   10   49   14 o   13.739   2.5577  202.492   66.419  201.139   81.060  205.255  115.863   13.762   3.1078   13.716   4.0631 0.4629135E-01 5.115343 
1 1 1   10   49   15 o   35.554   1.0575  1240.10   71.154  1226.32   90.815  1262.00  114.508   35.352   1.3234   35.755   1.6498 -0.4031525 2.114976 
1 1 1   10   49   16 o   11.642   2.6515  141.448   65.310  135.128   79.692  154.375  113.973   11.230   3.3795   12.054   4.0867 -0.8241282 5.303050 
1 1 1   10   49   17 o   32.627   1.2272  1102.37   72.318  1196.75   89.881  929.101  121.784   34.856   1.3284   30.399   2.0638 4.457315 2.454370 
1 1 1   10   49   18 o   15.388   2.4011  246.531   68.192  193.127   85.028  342.798  114.160   13.187   3.3230   17.588   3.4669 -4.401380 4.802254 
1 1 1   10   49   19 o   9.9650   2.7413   88.621   72.989   77.238   89.793  110.790  125.310   9.2403   3.5543   10.690   4.1744 -1.449233 5.482524 
1 1 1   10   50    0 o   21.147   1.6154  472.714   48.591  491.410   53.617  386.772  114.955   22.474   1.2290   19.820   2.9879 2.654156 3.230832 
1 1 1   10   50    1 o   18.934   1.8192  355.888   61.522  362.531   74.165  341.229  110.165   19.263   1.9834   18.605   3.0503 0.6578388 3.638443 
1 1 1   10   50    2 o   55.218   0.9245  2985.72   90.578  3011.68  108.306  2925.30  165.212   55.654   1.0025   54.782   1.5536 0.8724365 1.848969 
1 1 1   10   50    3 o   44.001   0.9393  1872.15   76.726  1840.68   95.077  1930.90  129.917   43.496   1.1261   44.507   1.5037 -1.011322 1.878626 
1 1 1   10   50    4 o   60.004   0.9151  3509.46   98.422  3514.15  118.381  3498.96  177.123   60.109   1.0146   59.900   1.5233 0.2085800 1.830231 
1 1 1   10   50    5 o   21.805   1.6610  472.818   66.055  484.926   81.235  449.189  113.484   22.268   1.8793   21.342   2.7393 0.9262524 3.321976 
1 1 1   10   50    6 o   31.616   1.1640  952.882   67.348  909.193   81.654  1045.85  119.114   30.539   1.3774   32.693   1.8769 -2.153837 2.328053 
1 1 1   10   50    7 o   49.219   0.9143  2303.69   82.183  2198.93   99.434  2529.52  145.993   47.528   1.0778   50.910   1.4773 -3.382076 1.828640 
1 1 1   10   50    8 o   12.771   2.4413  176.440   63.093  212.727   79.575  115.010  103.535   14.380   2.9497   11.163   3.8910 3.216813 4.882691 
1 1 1   10   50    9 o   36.610   6.6457  1668.12   89.280  1668.10   89.475  1671.75  1352.52   41.376   1.1140   31.843   13.245 9.533636 13.29142 
1 1 1   10   50   10 o   16.143   2.2780  291.010   64.009  329.896   77.290  206.111  114.205   18.287   2.1772   13.998   4.0021 4.289950 4.556029 
1 1 1   10   50   11 o   38.836   1.0748  1482.35   75.388  1490.90   91.386  1464.14  133.379   39.079   1.2047   38.594   1.7803 0.4849205 2.149636 
1 1 1   10   50   12 o   10.406   2.5989   96.051   62.328   81.661   75.961  125.703  109.043   9.4174   3.3290   11.394   3.9919 -1.977004 5.197887 
1 1 1   10   50   13 o   22.655   1.5255  497.588   64.244  465.936   79.047  559.174  110.263   21.693   1.8771   23.616   2.4053 -1.922668 3.051044 
1 1 1   10   50   14 o   21.092   1.7175  428.951   67.123  388.797   81.890  511.170  117.179   19.735   2.1375   22.449   2.6890 -2.713444 3.435085 
1 1 1   10   50   15 o   8.7237   2.4646   37.927   63.333   1.9128   81.818   91.768  100.038   7.3247   3.1597   10.123   3.7834 -2.797927 4.929255 
1 1 1   10   50   16 o   15.690   2.3857  262.083   67.891  245.444   83.923  293.593  115.490   15.158   2.9584   16.223   3.7434 -1.065342 4.771331 
1 1 1   10   50   17 o   9.5004   2.5726   76.479   64.906   63.843   82.716   96.727  104.705   8.8138   3.4054   10.187   3.8571 -1.373167 5.145300 
1 1 1   10   50   18 o   11.684   2.7293  154.546   71.011  164.042   88.199  137.049  119.723   12.045   3.5387   11.323   4.1561 0.7214756 5.458508 
1 1 1   10   50   19 o   13.184   2.7891  205.321   74.408  203.371   90.877  209.287  129.605   13.281   3.4823   13.087   4.3579 0.1937208 5.578281 
1 1 1   10   51    0 o   14.412   2.2072  180.923   48.643  164.552   53.377  261.123  118.144   12.963   2.1212   15.861   3.8712 -2.897878 4.414314 
1 1 1   10   51    1 o   20.584   1.8564  426.458   63.972  436.297   74.234  398.067  126.103   21.131   1.8097   20.038   3.2420 1.093565 3.712901 
1 1 1   10   51    2 o   42.629   1.0548  1855.58   76.247  1955.52   89.784  1597.07  144.395   44.836   1.0316   40.421   1.8403 4.415447 2.109688 
1 1 1   10   51    3 o   37.396   1.1101  1339.86   74.225  1302.71   88.502  1427.98  136.290   36.574   1.2466   38.217   1.8371 -1.642834 2.220142 
1 1 1   10   51    4 o   25.436   1.5524  689.910   66.393  762.102   79.157  518.617  121.931   27.953   1.4588   22.919   2.7407 5.034317 3.104738 
1 1 1   10   51    5 o   25.675   1.4558  652.307   66.082  660.917   78.942  632.146  120.795   26.017   1.5631   25.333   2.4564 0.6836491 2.911543 
1 1 1   10   51    6 o   54.110   0.9366  2819.16   90.696  2763.90  108.412  2948.02  165.555   53.285   1.0481   54.935   1.5525 -1.649761 1.873178 
1 1 1   10   51    7 o   32.021   1.1954  988.507   68.362  965.782   81.534  1042.30  125.439   31.462   1.3350   32.581   1.9834 -1.119606 2.390817 
1 1 1   10   51    8 o   27.806   1.3416  806.232   65.598  889.718   80.246  638.084  113.885   30.187   1.3695   25.425   2.3075 4.761433 2.683263 
1 1 1   10   51    9 o   18.833   1.6697  347.585   59.229  337.308   74.708  364.974   97.180   18.502   2.0801   19.164   2.6124 -0.6612988 3.339341 
1 1 1   10   51   10 o   45.440   0.9439  2007.08   80.489  1974.26  101.210  2063.56  132.761   44.978   1.1592   45.902   1.4900 -0.9243660 1.887795 
1 1 1   10   51   11 o   10.846   2.6161  116.706   64.742  129.835   78.694   89.209  113.885   11.173   3.3574   10.519   4.0130 0.6537991 5.232260 
1 1 1   10   51   12 o   35.059   1.1384  1232.28   70.311  1264.90   84.110  1156.61  128.111   35.954   1.2051   34.164   1.9318 1.789967 2.276862 
1 1 1   10   51   13 o   9.6012   2.4440   75.823   65.929  139.838   82.302 -38.8218  110.141   11.473   3.4303   7.7295   3.4823 3.743496 4.888083 
1 1 1   10   51   14 o   26.474   1.4050  689.057   68.693  668.781   84.454  728.693  118.082   26.006   1.6730   26.942   2.2578 -0.9359837 2.810081 
1 1 1   10   51   15 o   21.671   1.6162  461.694   65.971  424.725   82.492  527.294  109.886   20.578   2.0651   22.764   2.4868 -2.185583 3.232451 
1 1 1   10   51   16 o   13.471   2.6129  191.270   67.255  161.665   81.943  252.380  117.729   12.106   3.3654   14.835   3.9978 -2.728902 5.225728 
1 1 1   10   51   17 o   6.7488   2.1980 -52.7360   66.830 -14.7142   83.464 -120.6601  111.556   6.9427   3.0864   6.5549   3.1302 0.3878012 4.395917 
1 1 1   10   51   18 o   9.8153   2.7454   84.073   74.033   77.472   90.423   97.495  128.938   9.2279   3.5619   10.403   4.1787 -1.174744 5.490758 
1 1 1   10   52    0 o   43.730   0.9395  1899.02   62.624  1921.69   69.830  1805.88  141.550   44.464   0.8090   42.996   1.6960 1.467876 1.879064 
1 1 1   10   52    1 o   12.589   2.5598  158.380   61.715  155.230   73.108  166.193  115.121   12.277   3.0744   12.901   4.0936 -0.6240530 5.119512 
1 1 1   10   52    2 o   26.141   1.4212  689.026   64.176  714.342   76.007  626.161  119.773   27.062   1.4469   25.220   2.4465 1.841646 2.842361 
1 1 1   10   52    3 o   9.3556   2.5477   61.709   63.420   71.541   77.790   42.220  109.521   9.2492   3.3569   9.4621   3.8334 -0.2128916 5.095469 
1 1 1   10   52    4 o   29.175   1.2526  837.983   64.922  845.462   77.729  820.727  118.064   29.441   1.3601   28.908   2.1039 0.5330601 2.505255 
1 1 1   10   52    5 o   18.617   2.1224  395.817   64.511  463.449   78.210  251.862  114.104   21.744   1.8529   15.490   3.8189 6.253914 4.244722 
1 1 1   10   52    6 o   7.2795   2.3151 -36.9943   64.021 -40.2441   77.747 -30.1493  112.837   6.4219   2.9064   8.1371   3.6044 -1.715217 4.630209 
1 1 1   10   52    7 o   49.876   0.9415  2392.92   83.806  2339.73   99.910  2519.20  153.938   49.009   1.0502   50.742   1.5628 -1.733368 1.882901 
1 1 1   10   52    8 o   42.212   1.0051  1685.14   76.629  1593.90   91.631  1897.37  139.755   40.424   1.1677   44.001   1.6362 -3.576492 2.010169 
1 1 1   10   52    9 o   11.729   2.4231   93.369   64.656   4.6519   78.850  275.455  112.963   7.3623   3.1372   16.096   3.6937 -8.733231 4.846224 
1 1 1   10   52   10 o   16.857   2.0345  278.134   63.795  233.789   80.287  354.081  105.070   14.996   2.8625   18.718   2.8917 -3.722132 4.068901 
1 1 1   10   52   11 o   11.346   2.5236  101.276   65.275   30.207   80.802  234.783  110.747   8.0069   3.2742   14.686   3.8410 -6.679010 5.047165 
1 1 1   10   52   12 o   28.440   1.3791  834.027   68.798  881.650   82.862  728.343  123.438   29.950   1.4253   26.929   2.3613 3.020632 2.758136 
1 1 1   10   52   13 f   22.382   1.5890  521.903   65.749  589.599   85.020  421.184  103.705   24.389   1.7958   20.375   2.6220 4.014048 3.178047 
1 1 1   10   52   14 o   14.224   2.5149  230.622   68.253  254.528   84.806  186.668  114.995   15.481   2.9293   12.967   4.0888 2.513862 5.029839 
1 1 1   10   52   15 o   14.424   2.4785  205.989   67.433  139.776   82.466  339.599  117.144   11.320   3.4448   17.528   3.5643 -6.208045 4.956915 
1 1 1   10   52   16 o   20.076   1.9224  419.846   68.360  421.475   81.879  416.098  124.198   20.423   2.0653   19.729   3.2430 0.6938457 3.844831 
1 1 1   10   52   17 o   12.379   2.7305  177.170   71.569  178.416   90.403  175.077  117.142   12.485   3.5577   12.274   4.1432 0.2112246 5.461080 
1 1 1   10   53    0 o   14.173   2.0582  230.139   46.969  254.153   53.662  151.471   97.124   16.120   1.7149   12.227   3.7421 3.892539 4.116324 
1 1 1   10   53    1 o   36.184   0.9327  1265.83   53.832  1257.66   60.682  1296.04  116.640   35.960   0.8693   36.408   1.6504 -0.4478874 1.865331 
1 1 1   10   53    2 o   17.161   1.9517  305.306   59.090  324.141   73.168  269.984  100.198   18.165   2.0750   16.157   3.3061 2.007792 3.903325 
1 1 1   10   53    3 o   20.585   1.5980  414.146   62.617  401.073   80.432  434.259   99.764   20.203   2.0509   20.967   2.4511 -0.7642250 3.196002 
1 1 1   10   53    4 o   8.0079   2.3502   19.154   60.213   40.791   77.079 -14.7254   96.449   8.2641   3.2598   7.7518   3.3863 0.5123429 4.700348 
1 1 1   10   53    5 o   16.354   2.1240  273.246   60.972  275.544   73.626  268.229  108.777   16.710   2.2698   15.998   3.5908 0.7116852 4.248050 
1 1 1   10   53    6 o   7.3575   2.2986 -16.4976   61.498  -0.4174   74.220 -51.7209  109.847   7.0638   3.0277   7.6512   3.4595 -0.5873899 4.597257 
1 1 1   10   53    7 o   25.145   1.3758  604.308   62.569  574.237   74.997  673.165  113.487   24.205   1.5961   26.085   2.2413 -1.879515 2.751517 
1 1 1   10   53    8 o   8.8240   2.5215   43.069   65.522   59.675   80.593   10.696  112.528   8.8677   3.3776   8.7802   3.7447 0.8753395E-01 5.042955 
1 1 1   10   53    9 o   11.188   2.4923   78.421   64.913  -0.2420   78.447  249.253  115.604   7.2035   3.1007   15.172   3.9029 -7.968706 4.984655 
1 1 1   10   53   10 o   54.402   0.9444  2943.58   93.656  3029.56  115.225  2776.19  160.772   55.689   1.0659   53.114   1.5593 2.574398 1.888811 
1 1 1   10   53   11 o   32.697   1.1770  1064.25   72.365  1092.76   92.344  1018.88  116.490   33.343   1.4267   32.051   1.8723 1.291767 2.353955 
1 1 1   10   53   12 o   11.943   2.1007  155.434   66.431  281.507   82.244 -81.2154  112.679   16.682   2.5397   7.2035   3.3468 9.478727 4.201317 
1 1 1   10   53   13 o   19.682   1.8293  355.245   66.266  255.862   80.518  563.863  116.658   15.832   2.6199   23.532   2.5538 -7.699706 3.658691 
1 1 1   10   53   14 o   23.838   1.5754  572.964   69.491  568.884   86.151  580.562  117.566   23.863   1.8599   23.813   2.5433 0.4956818E-01 3.150795 
1 1 1   10   53   15 o   7.4071   2.3381 -21.1640   69.135   19.124   84.820 -100.9023  119.329   7.7255   3.2714   7.0886   3.3414 0.6369162 4.676215 
1 1 1   10   53   16 o   26.543   1.5127  707.513   74.110  685.874   91.125  749.786  127.365   26.135   1.7962   26.951   2.4345 -0.8161831 3.025386 
1 1 1   10   53   17 o   18.877   2.3018  418.650   75.810  479.392   95.321  314.099  125.057   21.552   2.2784   16.202   4.0002 5.350027 4.603547 
1 1 1   10   54    0 o   30.255   1.1858  820.302   53.207  782.316   58.088  1018.26  132.605   28.342   1.0558   32.169   2.1236 -3.826389 2.371550 
1 1 1   10   54    1 o   7.8946   1.9324   33.447   50.606  109.814   55.795 -320.7980  120.169   10.333   2.7378   5.4560   2.7278 4.877169 3.864793 
1 1 1   10   54    2 o   33.605   1.2173  1151.20   69.131  1202.86   81.077  1013.63  132.316   35.125   1.1891   32.086   2.1244 3.038734 2.434547 
1 1 1   10   54    3 o   51.268   0.9693  2567.57   89.276  2568.62  107.572  2565.25  160.029   51.345   1.0793   51.191   1.6104 0.1541100 1.938642 
1 1 1   10   54    4 o   8.9043   2.1868   33.987   64.293  145.066   76.338 -237.0846  119.253   11.819   3.2337   5.9901   2.9447 5.828441 4.373566 
1 1 1   10   54    5 f   14.674   2.3644  199.468   58.909  171.051   67.656  288.537  119.781   12.854   2.7914   16.493   3.8169 -3.639038 4.728704 
1 1 1   10   54    6 o   7.4738   2.3387 -20.6896   63.749 -24.5799   78.620 -13.2219  108.927   6.7282   2.9931   8.2194   3.5944 -1.491212 4.677457 
1 1 1   10   54    7 o   23.151   1.4236  522.430   63.128  485.427   81.767  577.031   99.326   22.175   1.8996   24.127   2.1208 -1.951927 2.847135 
1 1 1   10   54    8 o   9.2565   2.4387   70.869   60.263  100.117   75.849   20.801   99.239   10.039   3.3334   8.4738   3.5606 1.565395 4.877443 
1 1 1   10   54    9 o   13.232   2.3399  206.299   65.398  272.830   79.853   70.772  113.970   16.466   2.4982   9.9970   3.9573 6.469100 4.679889 
1 1 1   10   54   10 o   20.169   1.8147  401.893   66.959  384.346   81.307  438.875  118.039   19.623   2.1345   20.715   2.9354 -1.092461 3.629450 
1 1 1   10   54   11 o   16.881   2.0725  293.123   64.402  283.164   81.484  309.698  105.121   16.738   2.5079   17.024   3.3001 -0.2864151 4.144916 
1 1 1   10   54   12 o   11.126   2.6714  128.127   67.271  128.890   84.050  126.767  112.212   11.012   3.4982   11.241   4.0384 -0.2290888 5.342812 
1 1 1   10   54   13 o   10.763   2.7096  113.088   67.809  102.120   82.398  136.103  119.360   10.029   3.4726   11.497   4.1604 -1.467915 5.419173 
1 1 1   10   54   14 o   6.9291   2.2744 -75.7674   66.818 -107.7569   80.457  -4.6657  119.949   5.4055   2.6014   8.4527   3.7316 -3.047239 4.548879 
1 1 1   10   54   15 o   39.071   1.1980  1527.68   84.302  1531.00  101.976  1520.52  149.826   39.353   1.3349   38.790   1.9898 0.5638313 2.396087 
1 1 1   10   54   16 f   11.866   2.7080  136.318   73.366   62.572   91.652  267.860  122.407   8.8487   3.5341   14.883   4.1041 -6.034216 5.416096 
1 1 1   10   55    0 o   32.955   0.9884  1020.13   54.035  984.276   61.514  1141.25  113.070   31.791   0.9968   34.119   1.7072 -2.328815 1.976888 
1 1 1   10   55    1 o   16.454   1.8254  267.160   48.290  261.726   55.231  284.794   99.500   16.334   1.7419   16.574   3.2085 -0.2405090 3.650875 
1 1 1   10   55    2 o   28.201   1.2028  779.689   62.326  778.849   76.671  781.324  107.015   28.226   1.3993   28.175   1.9566 0.5097198E-01 2.405504 
1 1 1   10   55    3 o   26.807   1.4008  750.860   66.219  828.792   81.202  596.146  114.412   29.105   1.4373   24.509   2.4048 4.596045 2.801598 
1 1 1   10   55    4 o   9.1406   2.5401   47.672   61.773   30.304   74.132   87.128  111.735   7.8123   3.1578   10.469   3.9795 -2.656685 5.080163 
1 1 1   10   55    5 o   8.3742   2.4675   27.531   62.614   38.200   74.273   1.3245  116.409   8.0218   3.1885   8.7266   3.7667 -0.7047482 4.935026 
1 1 1   10   55    6 o   16.545   2.2887  275.179   67.655  247.968   82.460  331.221  118.340   15.451   2.8544   17.640   3.5784 -2.188698 4.577366 
1 1 1   10   55    7 o   40.926   1.0570  1657.09   78.351  1678.22   95.410  1613.33  137.304   41.422   1.1866   40.430   1.7495 0.9912262 2.113939 
1 1 1   10   55    8 o   6.9898   2.2205 -58.5208   61.519 -105.4197   76.685   26.165  103.046   5.3108   2.5518   8.6689   3.6347 -3.358121 4.441024 
1 1 1   10   55    9 o   25.949   1.3977  673.826   68.453  689.357   87.802  649.756  109.309   26.410   1.7127   25.489   2.2092 0.9213619 2.795353 
1 1 1   10   55   10 o   32.520   1.2240  1023.73   72.485  981.779   87.600  1114.82  129.086   31.589   1.4286   33.451   1.9880 -1.861534 2.448032 
1 1 1   10   55   11 o   8.9388   2.4302   53.946   66.219  113.020   80.404 -70.6031  116.748   10.424   3.4306   7.4535   3.4431 2.970717 4.860465 
1 1 1   10   55   12 o   30.809   1.2597  965.536   72.029  1022.49   91.249  871.379  117.328   32.171   1.4612   29.448   2.0525 2.723011 2.519497 
1 1 1   10   55   13 o   10.067   2.6378   98.355   70.219  131.027   84.136   23.362  127.470   10.980   3.5012   9.1535   3.9462 1.826526 5.275552 
1 1 1   10   55   14 o   16.418   2.3998  303.388   69.981  315.082   84.586  278.019  124.588   17.470   2.4942   15.365   4.1007 2.104716 4.799692 
1 1 1   10   55   15 o   23.867   1.8517  611.349   78.647  637.764   95.689  556.359  138.064   25.069   1.9663   22.664   3.1382 2.405645 3.703367 
1 1 1   10   56    0 o   12.321   2.4437  149.389   50.308  146.212   55.278  164.710  121.392   11.914   2.4712   12.728   4.2166 -0.8141031 4.887361 
1 1 1   10   56    1 o   19.623   1.5793  301.367   48.055  257.284   52.441  532.351  120.040   16.184   1.6693   23.062   2.6814 -6.878824 3.158506 
1 1 1   10   56    2 o   9.4287   2.4479   71.511   47.807   69.761   52.402   80.200  116.745   8.4620   2.7688   10.395   4.0375 -1.933371 4.895703 
1 1 1   10   56    3 o   14.628   2.4176  218.175   64.285  199.292   78.258  257.355  112.725   13.786   3.0089   15.469   3.7849 -1.683729 4.835144 
1 1 1   10   56    4 o   29.490   1.1636  868.505   64.482  912.667   82.786  800.383  102.820   30.514   1.3977   28.467   1.8607 2.046507 2.327123 
1 1 1   10   56    5 o   5.8824   1.9453 -98.0193   59.691 -19.0513   75.766 -227.2345   96.918   6.6669   2.9533   5.0980   2.5328 1.568916 3.890649 
1 1 1   10   56    6 o   17.215   2.1415  299.153   66.169  281.595   80.697  335.180  115.597   16.730   2.4849   17.700   3.4884 -0.9706135 4.282926 
1 1 1   10   56    7 o   36.932   1.1424  1350.49   76.565  1360.14   93.279  1330.56  134.048   37.242   1.2903   36.622   1.8856 0.6202011 2.284824 
1 1 1   10   56    8 o   9.7984   2.6437   72.239   66.301   54.057   80.588  110.324  116.634   8.6134   3.3520   10.983   4.0891 -2.370008 5.287399 
1 1 1   10   56    9 o   27.883   1.3590  831.011   67.673  984.910   86.358  586.121  108.935   31.640   1.4061   24.127   2.3260 7.512896 2.717935 
1 1 1   10   56   10 o   16.970   2.2122  318.456   66.743  349.856   83.250  261.961  111.666   18.609   2.3046   15.331   3.7768 3.277901 4.424397 
1 1 1   10   56   11 o   12.676   2.2476  198.127   67.722  291.388   81.412 -11.3578  122.016   16.893   2.4827   8.4590   3.7475 8.433791 4.495279 
1 1 1   10   56   12 o   6.7148   2.2000 -53.0954   64.261 -44.8560   78.272 -70.1325  112.553   6.1986   2.8474   7.2311   3.3545 -1.032412 4.400060 
1 1 1   10   56   13 o   17.537   2.3656  339.268   73.009  343.785   88.406  329.581  129.470   18.252   2.4952   16.821   4.0198 1.430870 4.731297 
1 1 1   10   56   14 o   31.401   1.4050  970.365   81.423  906.697   99.361  1100.53  142.069   30.064   1.7026   32.739   2.2355 -2.675156 2.810020 
1 1 1   10   57    0 o   20.185   1.4937  397.069   49.621  390.661   56.581  418.417  103.270   19.955   1.4607   20.415   2.6059 -0.4600182 2.987379 
1 1 1   10   57    1 o   23.651   1.4421  552.893   51.445  551.912   57.041  557.169  119.095   23.752   1.2371   23.549   2.6053 0.2031212 2.884104 
1 1 1   10   57    2 o   13.478   2.3690  173.041   51.617  159.576   57.360  230.358  118.345   12.420   2.4662   14.537   4.0456 -2.117100 4.737988 
1 1 1   10   57    3 o   9.6897   2.4849   81.893   65.721  131.387   78.217 -36.9621  121.210   11.182   3.3442   8.1970   3.6763 2.985419 4.969817 
1 1 1   10   57    4 o   22.748   1.6503  487.646   67.227  442.979   79.367  601.076  126.476   21.128   1.9352   24.369   2.6737 -3.241077 3.300539 
1 1 1   10   57    5 o   8.0064   2.4096   16.769   62.579   32.599   74.589 -20.8634  115.004   7.8146   3.1644   8.1983   3.6348 -0.3837328 4.819272 
1 1 1   10   57    6 o   12.849   2.4433  180.287   62.011  194.393   80.167  159.275   97.842   13.501   3.1214   12.197   3.7597 1.303274 4.886546 
1 1 1   10   57    7 o   24.680   1.4803  610.226   68.326  616.150   86.156  600.184  112.165   24.937   1.7798   24.422   2.3660 0.5156040 2.960686 
1 1 1   10   57    8 o   13.173   2.5198  199.652   64.760  223.280   77.281  143.934  118.675   14.535   2.8409   11.812   4.1626 2.722820 5.039627 
1 1 1   10   57    9 o   10.974   2.6875  122.520   66.606  121.642   80.265  124.460  119.360   10.707   3.4203   11.242   4.1462 -0.5351963 5.374910 
1 1 1   10   57   10 o   24.357   1.6472  615.964   72.474  643.325   89.051  562.294  124.720   25.392   1.8067   23.322   2.7549 2.070173 3.294452 
1 1 1   10   57   11 o   22.794   1.7159  515.886   70.943  488.302   85.320  577.677  127.700   22.027   1.9954   23.560   2.7922 -1.532963 3.431896 
1 1 1   10   57   12 o   10.313   2.6904   75.425   68.582   25.708   81.780  193.259  125.902   7.7380   3.2409   12.888   4.2953 -5.150452 5.380808 
1 1 1   10   57   13 o   22.701   1.8082  530.170   75.582  513.645   92.789  562.752  130.295   22.425   2.1315   22.976   2.9213 -0.5510521 3.616307 
1 1 1   10   58    0 o   20.193   1.6461  369.979   49.864  349.543   54.574  473.259  122.689   18.852   1.4913   21.533   2.9351 -2.681271 3.292255 
1 1 1   10   58    1 o   10.650   2.4726  102.168   48.867   93.472   53.987  141.604  114.966   9.4854   2.7634   11.814   4.1012 -2.328420 4.945287 
1 1 1   10   58    2 o   27.831   1.1785  815.374   53.423  865.849   61.946  668.875  105.534   29.762   1.0722   25.900   2.0991 3.862127 2.357096 
1 1 1   10   58    3 o   27.923   1.2604  776.398   65.827  790.044   83.158  753.497  107.729   28.329   1.5122   27.516   2.0169 0.8132267 2.520811 
1 1 1   10   58    4 o   5.8393   1.9901 -116.6887   63.473 -83.1134   76.005 -194.0753  115.389   5.5680   2.6373   6.1106   2.9812 -0.5425868 3.980291 
1 1 1   10   58    5 o   9.4982   2.6299   67.093   66.582   66.595   80.001   68.217  120.104   8.9533   3.3760   10.043   4.0334 -1.089905 5.259820 
1 1 1   10   58    6 o   17.450   2.2406  315.173   68.840  305.092   82.868  337.622  123.658   17.364   2.4585   17.535   3.7465 -0.1709938 4.481110 
1 1 1   10   58    7 o   39.874   1.0439  1567.76   76.671  1565.59   94.583  1571.91  130.936   39.937   1.2200   39.811   1.6943 0.1258850 2.087852 
1 1 1   10   58    8 o   18.449   1.9326  340.789   66.279  317.876   81.578  385.284  113.681   17.693   2.3753   19.206   3.0493 -1.512779 3.865207 
1 1 1   10   58    9 o   26.691   1.4433  642.071   68.060  549.543   79.020  907.942  133.949   23.487   1.7332   29.894   2.3083 -6.406881 2.886527 
1 1 1   10   58   10 o   16.685   2.2953  263.839   69.663  183.266   83.584  447.122  126.063   12.852   3.3251   20.518   3.1651 -7.666081 4.590621 
1 1 1   10   58   11 o   16.323   2.3856  297.655   70.890  308.125   87.828  278.083  120.079   17.215   2.6282   15.430   3.9821 1.784966 4.771213 
1 1 1   10   58   12 o   38.983   1.2101  1505.71   84.423  1475.41  101.058  1575.70  153.593   38.584   1.3493   39.383   2.0091 -0.7982254 2.420118 
1 1 1   10   59    0 o   13.394   2.3438  164.167   51.633  141.589   57.803  253.318  114.861   11.615   2.6254   15.173   3.8835 -3.557662 4.687645 
1 1 1   10   59    1 o   10.275   2.4130   25.568   49.579 -16.7493   54.065  249.240  124.299   5.5789   2.4819   14.971   4.1388 -9.391665 4.825916 
1 1 1   10   59    2 o   21.550   1.6274  465.350   53.069  464.892   58.953  467.304  121.860   21.748   1.3964   21.352   2.9401 0.3967724 3.254887 
1 1 1   10   59    3 o   15.056   2.2293  279.365   51.903  307.341   58.021  167.291  116.130   17.624   1.6960   12.489   4.1235 5.134886 4.458668 
1 1 1   10   59    4 o   7.2183   2.2670 -19.2814   62.692 -24.4393   82.206 -12.1120   96.919   6.8009   3.0404   7.6357   3.3634 -0.8348346 4.533982 
1 1 1   10   59    5 o   25.131   1.4135  630.964   66.771  629.238   84.527  633.827  108.892   25.178   1.7294   25.084   2.2363 0.9441185E-01 2.827036 
1 1 1   10   59    6 o   20.477   1.8933  431.727   68.813  434.060   82.509  426.397  124.717   20.801   2.0434   20.153   3.1880 0.6483250 3.786681 
1 1 1   10   59    7 o   8.5945   2.5309   36.233   69.494   66.909   82.729 -37.2995  128.084   8.9333   3.4174   8.2557   3.7339 0.6776381 5.061726 
1 1 1   10   59    8 o   31.126   1.2966  979.201   74.297  1003.68   92.334  934.240  125.131   31.838   1.4940   30.414   2.1195 1.424051 2.593107 
1 1 1   10   59    9 o   14.864   2.4956  239.211   67.606  220.838   82.266  277.431  118.653   14.223   3.0696   15.504   3.9356 -1.281006 4.991141 
1 1 1   10   59   10 o   19.715   2.1079  411.020   71.830  402.740   85.904  430.264  130.962   19.856   2.2287   19.574   3.5785 0.2817001 4.215740 
1 1 1   10   59   11 o   12.119   2.7183  170.122   70.626  169.968   89.391  170.378  115.215   12.156   3.5600   12.082   4.1089 0.7376003E-01 5.436571 
1 1 1   10   60    0 o   11.943   2.4704  119.446   51.613   91.293   57.531  235.554  116.834   9.3782   2.8817   14.507   4.0134 -5.129049 4.940769 
1 1 1   10   60    1 o   24.413   1.2280  562.506   51.520  531.712   59.531  654.391  102.832   23.258   1.3186   25.567   2.0719 -2.309189 2.455923 
1 1 1   10   60    2 o   9.1848   2.3748   74.682   50.189   72.736   58.086   80.414   99.694   8.6009   2.9175   9.7688   3.7480 -1.167912 4.749688 
1 1 1   10   60    3 o   7.3720   2.2719   9.2167   52.824   21.428   59.107 -39.2424  117.743   6.8248   2.7967   7.9192   3.5811 -1.094434 4.543725 
1 1 1   10   60    4 o   16.399   2.4191  328.966   69.954  386.838   83.881  196.786  126.769   19.579   2.2071   13.218   4.3056 6.360302 4.838278 
1 1 1   10   60    5 f   36.919   1.1915  1408.26   77.804  1499.32   94.467  1216.22  137.183   39.046   1.2463   34.793   2.0312 4.253155 2.383072 
1 1 1   10   60    6 o   24.599   1.5331  593.727   70.084  551.936   86.135  675.587  120.552   23.475   1.8902   25.723   2.4143 -2.247253 3.066203 
1 1 1   10   60    7 o   25.224   1.6301  655.994   73.845  670.233   89.711  626.073  130.045   25.894   1.7848   24.554   2.7284 1.339668 3.260285 
1 1 1   10   60    8 o   9.5169   2.6778   60.446   69.871   33.060   84.246  120.795  125.058   8.0047   3.3155   11.029   4.2059 -3.024446 5.355534 
1 1 1   10   60    9 o   11.356   2.5566  151.500   68.305  196.341   82.929   56.909  120.447   13.241   3.2505   9.4713   3.9471 3.769348 5.113209 
1 1 1   10   60   10 o   7.3233   2.3792 -103.4260   71.265 -173.1422   84.852   63.501  131.298   4.8954   2.4211   9.7513   4.0964 -4.855901 4.758404 
1 1 1   10   61    0 o   13.608   2.3673  194.022   54.290  190.893   61.009  205.928  118.997   13.733   2.2887   13.483   4.1447 0.2492695 4.734588 
1 1 1   10   61    1 o   9.6715   2.5354   84.709   54.580   87.136   60.623   74.322  125.400   9.1936   2.9763   10.149   4.1054 -0.9558144 5.070784 
1 1 1   10   61    2 o   7.8715   2.2573   37.031   53.841   69.712   60.011 -97.8304  121.907   8.4868   2.9621   7.2562   3.4069 1.230592 4.514520 
1 1 1   10   61    3 o   13.175   2.2526  187.878   52.128  187.308   60.724  189.477  101.629   13.373   2.4287   12.977   3.7946 0.3961906 4.505250 
1 1 1   10   61    4 o   9.2172   2.4036   80.160   51.229   88.692   57.330   46.343  114.130   9.1977   2.8850   9.2368   3.8451 -0.3916454E-01 4.807134 
1 1 1   10   61    5 o   19.328   2.1681  391.949   71.438  382.574   84.526  415.387  133.654   19.400   2.2445   19.256   3.7101 0.1436996 4.336253 
1 1 1   10   61    6 o   17.197   2.2913  300.990   70.289  251.222   85.145  407.471  124.544   15.221   2.9884   19.173   3.4742 -3.952334 4.582653 
1 1 1   10   61    7 o   12.443   2.7000  173.288   69.516  158.753   87.219  198.603  115.104   11.859   3.5280   13.026   4.0883 -1.167493 5.400084 
1 1 1   10   61    8 o   11.497   2.8153  130.353   73.372   88.371   88.877  220.193  130.016   9.5240   3.5648   13.471   4.3584 -3.946625 5.630600 
1 1 1   10   61    9 o   23.405   1.8931  598.040   75.473  626.194   89.468  528.567  140.542   24.885   1.8521   21.924   3.3023 2.960733 3.786182 
1 1 1   10   62    0 o   21.582   1.6786  508.208   55.296  533.500   62.559  417.867  118.234   23.243   1.3866   19.921   3.0575 3.322109 3.357234 
1 1 1   10   62    1 o   13.284   2.2283  206.943   53.197  228.366   61.696  144.855  105.032   15.033   2.1143   11.536   3.9231 3.496781 4.456547 
1 1 1   10   62    2 o   25.984   1.5128  722.499   57.774  746.854   64.303  620.512  131.587   27.553   1.2023   24.415   2.7764 3.137560 3.025523 
1 1 1   10   62    3 o   17.580   2.0935  304.968   56.153  288.156   62.545  374.835  127.503   16.936   1.9025   18.225   3.7297 -1.288754 4.186941 
1 1 1   10   62    4 o   16.060   2.1891  296.109   54.022  309.756   61.003  246.514  116.293   17.584   1.7872   14.537   3.9969 3.046767 4.378256 
1 1 1   10   62    5 o   11.713   2.5607  157.792   66.054  190.717   85.822  109.942  103.461   13.016   3.3702   10.411   3.8561 2.604903 5.121304 
1 1 1   10   62    6 o   26.169   1.5739  678.057   75.654  631.109   91.821  777.305  133.503   24.999   1.8922   27.339   2.5157 -2.339691 3.147816 
1 1 1   10   62    7 o   12.415   2.8191  178.746   74.311  172.627   90.989  191.002  128.778   12.215   3.5958   12.615   4.3427 -0.4001665 5.638163 
1 1 1   10   63    0 f   13.797   2.3833  150.257   53.959  102.988   59.689  361.622  126.217   9.7763   2.9209   17.818   3.7669 -8.042067 4.766683 
1 1 1   10   63    1 o   6.8627   2.2177 -18.5367   55.550  -2.2846   61.695 -88.1558  127.690   6.2410   2.7178   7.4844   3.5053 -1.243408 4.435498 
1 1 1   10   63    2 o   7.9991   2.3689   20.495   54.136   3.3843   62.292   73.306  109.435   6.4015   2.7592   9.5966   3.8515 -3.195119 4.737892 
1 1 1   10   63    3 o   25.312   1.3237  619.451   56.817  592.662   65.376  702.139  114.858   24.456   1.3771   26.168   2.2611 -1.711868 2.647492 
1 1 1   10   63    4 o   10.034   2.4825   36.994   56.116 -16.4260   63.042  240.831  123.146   5.9558   2.6626   14.113   4.1907 -8.157135 4.964990 
1 1 1   10   63    5 o   7.2729   2.3431 -27.8694   67.543 -29.3055   81.204 -24.6450  121.673   6.5143   2.9571   8.0316   3.6353 -1.517304 4.686131 
1 1 1   10   64    0 o   18.296   1.6959  320.397   52.608  294.539   60.152  404.531  108.504   17.094   1.8127   19.498   2.8668 -2.403776 3.391805 
1 1 1   10   64    1 o   22.976   1.4911  504.848   57.099  473.820   64.933  610.661  119.910   21.791   1.5350   24.160   2.5567 -2.369274 2.982160 
1 1 1   10   64    2 o   6.8695   2.2367 -24.3072   55.417 -20.9695   61.778 -38.0570  125.388   5.7857   2.6072   7.9533   3.6350 -2.167596 4.473307 
1 1 1   10   64    3 o   7.6898   2.3306   25.725   52.566   30.796   58.522   4.5468  119.600   6.9664   2.8093   8.4132   3.7195 -1.446773 4.661210 
1 1 1   11    0    0 o  359.170   2.5852 125284.90  1769.02 125450.90  2781.43 125172.10  2292.42  359.342   3.9886  358.998   3.2902 -0.000000 0.000000 
1 1 1   11    0    1 o   58.342   3.4359  3444.11  372.342  2999.71  570.100  3774.70  491.699   54.752   5.4906   61.932   4.1322 -0.000000 0.000000 
1 1 1   11    0    2 o  777.305   3.6534 587055.50  5511.17 583519.81  7714.85 590740.12  7875.56  774.921   5.1292  779.688   5.2040 -0.000000 0.000000 
1 1 1   11    0    3 o  483.108   2.6153 225254.50  2278.10 222852.91  2745.34 230564.59  4082.26  479.062   2.9524  487.155   4.3176 -0.000000 0.000000 
1 1 1   11    0    4 o   81.880   0.9455  6519.85  149.879  6632.22  206.461  6394.66  217.925   82.630   1.2879   81.131   1.3847 -0.000000 0.000000 
1 1 1   11    0    5 o  119.416   1.2470 13874.47  287.706 14118.98  391.414 13587.11  424.333  120.567   1.6731  118.264   1.8494 -0.000000 0.000000 
1 1 1   11    0    6 o   63.796   0.8762  3959.32  108.288  4124.30  151.967  3789.15  154.345   65.151   1.2025   62.440   1.2746 -0.000000 0.000000 
1 1 1   11    0    7 o   27.000   1.1454  715.149   59.405  776.620   85.010  656.483   83.047   28.155   1.5665   25.844   1.6714 -0.000000 0.000000 
1 1 1   11    0    8 o  160.829   1.4733 25158.43  454.436 25349.73  599.917 24900.87  696.094  161.557   1.9135  160.100   2.2408 -0.000000 0.000000 
1 1 1   11    0    9 o  227.042   1.7772 50041.99  765.552 49920.10  983.632 50229.24  1219.22  226.712   2.2356  227.373   2.7633 -0.000000 0.000000 
1 1 1   11    0   10 o   28.616   1.2055  838.115   63.282  973.049   83.003  650.809   97.793   31.572   1.3601   25.660   1.9908 -0.000000 0.000000 
1 1 1   11    0   11 o   89.949   1.1044  7864.22  192.602  7926.43  268.616  7798.39  276.307   90.318   1.5331   89.581   1.5901 -0.000000 0.000000 
1 1 1   11    0   12 o   95.164   1.1148  8797.94  205.688  9211.23  293.272  8397.83  288.558   97.367   1.5525   92.962   1.6001 -0.000000 0.000000 
1 1 1   11    0   13 o   88.517   1.0603  7614.53  181.979  7625.96  253.531  7602.39  261.362   88.587   1.4753   88.447   1.5233 -0.000000 0.000000 
1 1 1   11    0   14 o   10.145   2.9180  123.827   65.511   47.928   85.936  229.135  101.224   6.6210   3.9067   13.669   4.3356 -0.000000 0.000000 
1 1 1   11    0   15 o  137.847   1.3637 18445.85  364.327 17990.34  501.224 18956.11  530.493  136.047   1.8988  139.647   1.9578 -0.000000 0.000000 
1 1 1   11    0   16 o  154.048   1.4731 23056.01  439.731 22785.02  604.827 23359.86  640.446  153.093   2.0360  155.002   2.1294 -0.000000 0.000000 
1 1 1   11    0   17 o   93.186   1.2352  8431.68  222.808  8248.11  304.152  8644.28  327.319   92.097   1.7026   94.276   1.7900 -0.000000 0.000000 
1 1 1   11    0   18 o   83.127   1.1716  6725.16  188.704  6832.95  262.604  6610.07  271.345   83.821   1.6153   82.433   1.6974 -0.000000 0.000000 
1 1 1   11    0   19 o   84.972   1.2145  6998.77  198.529  6829.97  263.126  7221.85  302.496   83.797   1.6190   86.148   1.8107 -0.000000 0.000000 
1 1 1   11    0   20 o   52.423   1.1249  2675.38  113.524  2656.04  152.074  2699.72  170.614   52.220   1.5030   52.626   1.6740 -0.000000 0.000000 
1 1 1   11    0   21 f  117.548   1.5159 13457.52  345.616 13671.06  491.978 13249.45  485.635  118.470   2.1409  116.626   2.1467 -0.000000 0.000000 
1 1 1   11    0   22 o   28.869   2.4701  829.531  136.091   0.0000   0.0000  829.531  136.091   28.869   2.4701   28.869   2.4701 -0.000000 0.000000 
1 1 1   11    0   23 o   27.753   1.6983  766.579   89.122  758.866  118.319  776.693  135.495   27.637   2.2393   27.870   2.5538 -0.000000 0.000000 
1 1 1   11    0   24 f   47.776   1.1844  2214.37  108.203  2131.79  141.230  2331.72  168.365   46.723   1.5611   48.829   1.7817 -0.000000 0.000000 
1 1 1   11    0   25 o   6.5686   2.9897  -0.3797   84.631 -26.8203  107.262   43.229  137.752   5.5876   3.7116   7.5495   4.6880 -0.000000 0.000000 
1 1 1   11    0   26 f   10.374   3.3893  161.140   77.951  184.452   98.570  122.221  127.360   11.586   4.5639   9.1624   5.0122 -0.000000 0.000000 
1 1 1   11    0   27 o   11.299   3.1651  186.324   86.276  283.809  111.454   40.567  136.283   15.256   4.3434   7.3428   4.6050 -0.000000 0.000000 
1 1 1   11    0   28 o   7.5841   3.1885   65.569   86.616  109.855  110.107  -6.3267  140.292   8.5424   4.6649   6.6259   4.3480 -0.000000 0.000000 
1 1 1   11    0   29 o   44.040   1.2939  1928.69  108.194  1968.75  141.300  1871.92  168.212   44.686   1.6339   43.395   2.0067 -0.000000 0.000000 
1 1 1   11    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    1    0 o  156.359   1.0712 23733.41  325.137 23711.04  460.128 23755.71  459.499  156.286   1.5167  156.433   1.5132 -0.1472321 2.142438 
1 1 1   11    1    1 o  412.956   1.8837 165603.91  1510.02 166300.80  2143.29 164917.00  2127.76  413.818   2.6681  412.094   2.6599 1.724548 3.767475 
1 1 1   11    1    2 o  224.059   1.3281 48739.29  577.661 48874.70  817.962 48604.54  815.914  224.370   1.8780  223.749   1.8785 0.6209869 2.656293 
1 1 1   11    1    3 o  317.117   1.4753 97685.97  898.225 97956.77  1186.70 97322.70  1374.44  317.640   1.9246  316.594   2.2364 1.046051 2.950553 
1 1 1   11    1    4 o  111.178   0.8343 12001.57  179.896 12083.15  249.826 11913.72  259.259  111.570   1.1535  110.785   1.2056 0.7855072 1.668524 
1 1 1   11    1    5 o   45.978   0.5349  2051.91   47.734  2054.04   68.126  2049.85   66.903   46.002   0.7629   45.955   0.7500 0.4695511E-01 1.069813 
1 1 1   11    1    6 o   62.696   0.6104  3814.76   74.277  3906.11  105.747  3725.79  104.354   63.437   0.8587   61.955   0.8677 1.481529 1.220790 
1 1 1   11    1    7 o  188.788   1.1209 34601.14  410.780 34834.73  582.144 34369.49  579.724  189.423   1.5832  188.153   1.5872 1.269318 2.241840 
1 1 1   11    1    8 o  169.604   1.1243 27962.69  369.428 27316.23  535.946 28547.90  509.924  167.732   1.6460  171.476   1.5319 -3.743851 2.248607 
1 1 1   11    1    9 o  162.405   1.3253 25637.76  415.767 25357.99  617.464 25869.81  562.359  161.589   1.9685  163.220   1.7749 -1.631607 2.650519 
1 1 1   11    1   10 o  105.350   0.8204 10775.91  167.691 10750.38  240.623 10800.02  233.826  105.228   1.1780  105.472   1.1421 -0.2435760 1.640721 
1 1 1   11    1   11 o   40.967   0.6474  1629.82   51.439  1644.88   71.486  1613.65   74.075   41.163   0.8946   40.770   0.9360 0.3930817 1.294771 
1 1 1   11    1   12 o  205.389   1.1155 40966.27  444.744 40433.73  626.226 41508.23  631.737  204.042   1.5810  206.736   1.5742 -2.693909 2.231089 
1 1 1   11    1   13 o   88.289   0.7873  7566.64  134.913  7730.20  192.632  7409.17  189.012   89.225   1.1122   87.353   1.1147 1.872498 1.574619 
1 1 1   11    1   14 o   36.254   0.7337  1276.25   51.634  1274.81   72.588  1277.73   73.462   36.233   1.0320   36.275   1.0433 -0.4127121E-01 1.467472 
1 1 1   11    1   15 o   47.898   0.6946  2227.05   64.571  2263.63   92.466  2192.24   90.212   48.282   0.9866   47.515   0.9781 0.7672501 1.389229 
1 1 1   11    1   16 o   36.957   0.7650  1327.33   54.839  1384.15   77.382  1270.01   77.726   37.753   1.0559   36.161   1.1073 1.591160 1.530033 
1 1 1   11    1   17 o   37.699   0.7656  1380.98   55.998  1336.91   79.385  1424.62   79.001   37.100   1.1023   38.299   1.0626 -1.198708 1.531106 
1 1 1   11    1   18 o   63.362   0.7508  3899.28   92.335  3929.46  131.486  3869.91  129.694   63.604   1.0650   63.120   1.0585 0.4835358 1.501513 
1 1 1   11    1   19 o  135.176   1.4789 17579.88  361.017 17219.46  434.656 18381.59  648.263  133.050   1.6829  137.303   2.4322 -4.252533 2.957711 
1 1 1   11    1   20 o  100.831   1.1597  9868.00  213.444  9820.58  260.463  9964.95  372.434  100.506   1.3350  101.156   1.8967 -0.6504898 2.319410 
1 1 1   11    1   21 o   69.209   0.9906  4557.67  122.443  4408.01  145.668  4917.98  226.025   67.344   1.1143   71.075   1.6382 -3.731041 1.981274 
1 1 1   11    1   22 o   41.662   0.8598  1687.78   69.538  1675.52   98.145  1700.14   98.539   41.510   1.2180   41.814   1.2140 -0.3040924 1.719689 
1 1 1   11    1   23 o   15.296   2.6661  221.216   72.231  294.566  138.795  193.971   84.589   16.845   4.2460   13.747   3.2254 3.097556 5.332150 
1 1 1   11    1   24 o   48.712   0.8214  2303.83   77.562  2464.66  113.045  2160.77  106.615   50.315   1.1574   47.110   1.1659 3.204956 1.642819 
1 1 1   11    1   25 o   55.369   0.7866  2987.34   84.533  2955.77  120.272  3018.17  118.836   55.077   1.1249   55.660   1.0999 -0.5831299 1.573267 
1 1 1   11    1   26 o   25.850   1.2317  656.650   61.625  725.487   88.354  591.441   85.995   27.181   1.6746   24.518   1.8068 2.662529 2.463490 
1 1 1   11    1   27 o   16.825   1.9221  290.406   61.200  261.533   85.661  320.511   87.469   15.812   2.8976   17.838   2.5260 -2.026411 3.844105 
1 1 1   11    1   28 o   40.968   0.9376  1649.32   74.552  1670.33  105.066  1628.01  105.803   41.236   1.3126   40.700   1.3392 0.5357208 1.875177 
1 1 1   11    1   29 o   6.3209   2.0701 -96.5287   64.793   1.9607   89.981 -202.5882   93.376   7.5675   3.2889   5.0742   2.5149 2.493289 4.140258 
1 1 1   11    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    2    0 o  128.760   0.9349 16093.78  233.687 16093.93  330.285 16093.62  330.680  128.761   1.3214  128.760   1.3230 0.1266479E-02 1.869892 
1 1 1   11    2    1 o   47.294   0.5815  2135.50   50.772  2284.52   87.733  2060.45   62.257   48.514   0.9316   46.074   0.6961 2.439846 1.162940 
1 1 1   11    2    2 o  288.371   1.4115 80860.50  783.046 81686.62  1042.99 79793.35  1185.42  290.068   1.8523  286.674   2.1302 3.393677 2.822908 
1 1 1   11    2    3 o  124.014   0.9134 14938.15  219.651 15144.47  304.848 14715.38  316.762  124.906   1.2573  123.123   1.3253 1.783073 1.826834 
1 1 1   11    2    4 o   74.977   0.6461  5456.48   94.038  5447.38  132.682  5465.65  133.299   74.914   0.9124   75.039   0.9151 -0.1255112 1.292246 
1 1 1   11    2    5 o  116.240   0.9894 13030.80  217.247 12755.01  275.599 13483.40  353.059  114.628   1.2386  117.851   1.5433 -3.222900 1.978843 
1 1 1   11    2    6 o  168.270   1.0424 27486.47  340.500 27270.42  479.796 27705.69  483.301  167.604   1.4747  168.936   1.4738 -1.332291 2.084892 
1 1 1   11    2    7 o  176.292   1.0683 30171.39  365.579 29931.56  515.606 30413.84  518.419  175.588   1.5127  176.997   1.5089 -1.409058 2.136582 
1 1 1   11    2    8 o  173.383   1.0806 29186.63  363.679 29248.11  513.963 29124.97  514.679  173.566   1.5255  173.200   1.5308 0.3659210 2.161117 
1 1 1   11    2    9 o   41.820   0.6216  1697.44   50.439  1704.54   72.431  1690.76   70.280   41.904   0.8904   41.735   0.8675 0.1696396 1.243150 
1 1 1   11    2   10 o  256.397   1.3298 63862.56  648.446 63806.25  1025.16 63900.12  837.207  256.284   2.0607  256.511   1.6814 -0.2263489 2.659566 
1 1 1   11    2   11 o   68.540   0.6783  4559.41   90.144  4583.52  130.857  4537.64  124.358   68.712   0.9811   68.368   0.9370 0.3440781 1.356664 
1 1 1   11    2   12 o  122.757   0.9257 14631.88  220.569 14671.43  313.904 14593.31  309.996  122.921   1.3155  122.594   1.3026 0.3271866 1.851357 
1 1 1   11    2   13 o  106.735   0.8247 11061.68  170.861 10874.31  240.684 11252.04  242.595  105.824   1.1717  107.646   1.1610 -1.822723 1.649422 
1 1 1   11    2   14 o   68.875   0.6903  4603.18   92.253  4705.02  132.777  4508.13  128.271   69.610   0.9826   68.139   0.9698 1.471634 1.380573 
1 1 1   11    2   15 o   36.089   0.7644  1264.64   53.544  1278.92   76.241  1250.74   75.215   36.290   1.0823   35.888   1.0797 0.4019585 1.528738 
1 1 1   11    2   16 o  152.805   1.1572 22695.50  343.206 22643.98  489.296 22745.39  481.531  152.632   1.6514  152.977   1.6216 -0.3453674 2.314448 
1 1 1   11    2   17 o   57.082   0.6997  3163.85   77.524  3204.61  110.655  3124.55  108.643   57.443   0.9924   56.721   0.9867 0.7218857 1.399414 
1 1 1   11    2   18 o  110.614   1.0091 11891.48  216.664 11974.01  307.747 11810.36  305.088  110.995   1.4283  110.234   1.4258 0.7608337 2.018142 
1 1 1   11    2   19 o  139.638   1.2354 18967.55  334.838 19208.73  477.061 18733.38  470.081  140.512   1.7490  138.764   1.7451 1.748749 2.470747 
1 1 1   11    2   20 o   94.780   1.1231  8843.63  195.722  9077.02  242.577  8408.29  331.303   96.631   1.2932   92.930   1.8366 3.701225 2.246190 
1 1 1   11    2   21 o   87.581   1.0494  7527.43  170.766  7692.44  213.916  7237.54  283.535   88.948   1.2389   86.213   1.6942 2.735161 2.098872 
1 1 1   11    2   22 f   37.312   0.9265  1354.88   67.049  1289.09   94.748  1420.87   94.895   36.403   1.3408   38.222   1.2790 -1.819332 1.853004 
1 1 1   11    2   23 o   70.395   0.8029  4817.47  109.669  4916.80  157.795  4724.67  152.529   71.095   1.1434   69.694   1.1274 1.400749 1.605740 
1 1 1   11    2   24 o   66.710   1.0027  4396.94  120.441  4182.77  212.281  4498.60  146.262   65.436   1.6712   67.984   1.1083 -2.547638 2.005305 
1 1 1   11    2   25 o   28.634   1.1588  802.866   64.350  791.440   92.675  813.505   89.422   28.432   1.6792   28.837   1.5974 -0.4054775 2.317641 
1 1 1   11    2   26 o   12.085   2.2124  143.751   60.436  263.941   86.527   29.262   84.450   15.988   2.8945   8.1817   3.3467 7.806684 4.424739 
1 1 1   11    2   27 o   25.646   1.2931  653.180   64.147  604.251   91.990  699.492   89.496   24.682   1.9200   26.609   1.7326 -1.927071 2.586182 
1 1 1   11    2   28 o   39.777   0.9726  1554.10   75.030  1602.13  109.053  1510.93  103.389   40.354   1.3922   39.201   1.3587 1.152882 1.945280 
1 1 1   11    2   29 o   12.943   2.4036  185.506   66.046   92.321   93.810  277.091   93.001   9.8821   3.6696   16.005   3.1055 -6.122674 4.807249 
1 1 1   11    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    3    0 o  141.794   1.0158 19515.30  279.591 19309.25  392.947 19726.59  397.903  141.036   1.4353  142.552   1.4379 -1.515961 2.031672 
1 1 1   11    3    1 o  184.858   1.1862 33174.32  425.667 33343.48  603.208 33006.54  600.768  185.328   1.6767  184.389   1.6784 0.9387817 2.372462 
1 1 1   11    3    2 o  153.198   1.0307 22786.94  305.540 22832.02  416.079 22734.17  450.122  153.363   1.3976  153.032   1.5152 0.3310394 2.061386 
1 1 1   11    3    3 o  245.564   1.3153 58584.23  622.074 58868.78  830.563 58220.64  938.845  246.248   1.7375  244.880   1.9750 1.367920 2.630554 
1 1 1   11    3    4 o   65.094   0.6020  4112.35   76.061  4071.23  106.731  4154.78  108.420   64.764   0.8490   65.425   0.8537 -0.6611252 1.203972 
1 1 1   11    3    5 o  187.406   1.1012 34094.94  400.608 33924.98  564.715 34267.11  568.393  186.936   1.5562  187.876   1.5585 -0.9401703 2.202456 
1 1 1   11    3    6 o  210.849   1.1766 43157.00  481.548 42664.09  677.359 43660.70  684.726  209.632   1.6645  212.066   1.6633 -2.434372 2.353167 
1 1 1   11    3    7 o  203.934   1.1615 40371.18  459.751 39851.47  645.161 40907.39  655.330  202.601   1.6404  205.267   1.6447 -2.666397 2.322917 
1 1 1   11    3    8 o   85.506   0.7319  7096.39  121.481  6974.93  170.844  7220.60  172.771   84.766   1.0383   86.246   1.0320 -1.479988 1.463894 
1 1 1   11    3    9 o  114.293   0.9850 12670.05  218.127 12877.72  319.625 12489.01  298.422  115.168   1.4297  113.419   1.3554 1.749626 1.970091 
1 1 1   11    3   10 o   77.270   0.6818  5795.48  102.260  5856.19  145.747  5736.61  143.513   77.669   0.9667   76.872   0.9617 0.7969818 1.363613 
1 1 1   11    3   11 o  106.289   0.8560 10966.17  176.485 11040.49  254.954 10897.79  244.547  106.634   1.2317  105.944   1.1891 0.6900711 1.712017 
1 1 1   11    3   12 f  130.484   0.9473 16532.67  239.954 16514.59  338.433 16550.95  340.266  130.413   1.3369  130.556   1.3426 -0.1432037 1.894697 
1 1 1   11    3   13 o   56.778   0.6426  3129.82   70.828  3110.29  100.236  3149.30  100.096   56.601   0.9123   56.955   0.9054 -0.3539810 1.285291 
1 1 1   11    3   14 o  116.046   0.8771 13079.51  197.571 13037.69  280.863 13120.46  277.974  115.862   1.2488  116.230   1.2320 -0.3682098 1.754243 
1 1 1   11    3   15 o   21.626   1.1114  461.307   45.899  376.463   66.218  539.766   63.678   19.680   1.7333   23.571   1.3917 -3.891058 2.222883 
1 1 1   11    3   16 o   56.298   0.6864  3077.97   74.997  3068.32  106.970  3087.30  105.176   56.211   0.9803   56.385   0.9609 -0.1742401 1.372746 
1 1 1   11    3   17 f   84.467   0.8180  6930.22  134.105  6951.34  191.127  6909.74  188.213   84.593   1.1639   84.341   1.1496 0.2526398 1.635937 
1 1 1   11    3   18 o   61.900   0.8886  3712.80  100.793  3692.33  123.436  3753.75  174.607   61.656   1.0313   62.145   1.4474 -0.4889183 1.777261 
1 1 1   11    3   19 o   76.239   0.7985  5638.66  118.036  5478.96  162.346  5817.76  171.921   75.097   1.1137   77.382   1.1445 -2.284958 1.596934 
1 1 1   11    3   20 o   38.808   0.8706  1463.22   65.570  1434.41   91.613  1493.49   93.889   38.416   1.2285   39.199   1.2339 -0.7829704 1.741175 
1 1 1   11    3   21 o   59.495   0.7786  3439.32   89.904  3524.49  128.257  3357.03  126.059   60.219   1.0972   58.771   1.1050 1.448566 1.557165 
1 1 1   11    3   22 o   28.442   1.3600  762.584   72.568  694.213   90.014  889.527  122.653   26.693   1.7372   30.190   2.0929 -3.496725 2.719927 
1 1 1   11    3   23 o   41.027   0.8456  1636.37   67.302  1676.14   97.260  1599.83   93.226   41.504   1.2072   40.550   1.1844 0.9539261 1.691157 
1 1 1   11    3   24 o   35.106   0.9817  1199.11   66.730  1234.18   98.510  1169.36   90.713   35.575   1.4265   34.637   1.3492 0.9381943 1.963436 
1 1 1   11    3   25 o   89.867   1.1073  7827.76  180.380  8095.98  320.681  7703.62  218.165   90.864   1.8181   88.869   1.2646 1.995102 2.214676 
1 1 1   11    3   26 o   26.181   1.2331  673.578   62.629  707.722   89.509  640.829   87.662   26.835   1.7183   25.526   1.7691 1.309185 2.466254 
1 1 1   11    3   27 o   43.636   0.8629  1863.86   72.992  1877.14  106.239  1852.00  100.456   43.773   1.2503   43.498   1.1897 0.2750282 1.725873 
1 1 1   11    3   28 o   14.240   2.3407  216.721   63.817  272.250   94.736  170.589   86.349   15.955   3.1706   12.526   3.4442 3.429061 4.681336 
1 1 1   11    3   29 o   26.470   1.3228  695.349   67.672  773.851  101.503  632.535   90.796   27.799   1.8810   25.141   1.8604 2.657669 2.645639 
1 1 1   11    3   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    4    0 o  181.658   1.1488 32035.63  405.101 32091.88  573.028 31979.42  572.769  181.818   1.6236  181.499   1.6257 0.3189087 2.297595 
1 1 1   11    4    1 o   67.203   0.5927  4383.75   77.278  4387.86  107.523  4379.36  111.142   67.235   0.8238   67.170   0.8524 0.6527710E-01 1.185435 
1 1 1   11    4    2 o  324.720   1.4867 102459.60  927.283 102950.50  1227.27 101806.50  1415.55  325.636   1.9415  323.805   2.2520 1.830994 2.973412 
1 1 1   11    4    3 o  137.922   0.9911 18474.41  264.678 18588.18  362.227 18344.09  387.692  138.379   1.3485  137.466   1.4529 0.9131622 1.982236 
1 1 1   11    4    4 o  325.763   1.5086 102907.00  941.116 102237.40  1231.74 103846.20  1458.75  324.502   1.9554  327.025   2.2979 -2.523071 3.017290 
1 1 1   11    4    5 o  210.117   1.1855 42861.65  483.512 42779.77  681.653 42944.59  685.946  209.915   1.6728  210.319   1.6801 -0.4037476 2.370924 
1 1 1   11    4    6 f  214.688   1.1988 44742.19  499.524 44465.28  699.824 45029.82  713.234  214.011   1.6846  215.364   1.7061 -1.353561 2.397579 
1 1 1   11    4    7 o   26.744   1.0106  753.146   46.687  848.498   56.851  555.646   81.819   29.565   0.9906   23.922   1.7619 5.642927 2.021277 
1 1 1   11    4    8 o   19.164   1.0840  357.101   40.247  367.518   55.734  345.748   58.180   19.456   1.4757   18.871   1.5883 0.5854721 2.167996 
1 1 1   11    4    9 o   30.237   0.7482  888.407   43.844  904.730   60.631  870.517   63.476   30.528   1.0231   29.945   1.0920 0.5831375 1.496395 
1 1 1   11    4   10 o  197.830   1.2379 38024.67  473.706 37845.51  699.097 38176.76  644.118  197.394   1.8245  198.267   1.6736 -0.8732758 2.475811 
1 1 1   11    4   11 o   21.044   0.9953  429.490   40.627  443.120   58.900  417.120   56.112   21.362   1.4204   20.726   1.3947 0.6359959 1.990661 
1 1 1   11    4   12 o  104.224   0.8843 10548.98  178.873 10446.24  254.609 10649.11  251.352  103.723   1.2645  104.726   1.2364 -1.003281 1.768556 
1 1 1   11    4   13 o   58.720   0.6527  3346.24   74.382  3435.93  106.352  3260.35  104.070   59.490   0.9210   57.950   0.9252 1.540062 1.305398 
1 1 1   11    4   14 o  173.387   1.0772 29207.07  362.563 29279.72  514.210 29135.25  511.286  173.601   1.5259  173.173   1.5210 0.4282837 2.154458 
1 1 1   11    4   15 o   52.997   0.6739  2730.09   69.223  2668.32   99.983  2786.97   95.935   52.420   0.9826   53.575   0.9225 -1.154282 1.347730 
1 1 1   11    4   16 o   56.243   0.6963  3066.96   75.918  3159.50  110.902  2985.36  104.146   57.039   1.0016   55.446   0.9676 1.593128 1.392668 
1 1 1   11    4   17 o   62.717   0.7175  3818.99   87.339  3925.95  124.680  3715.94  122.384   63.580   1.0102   61.855   1.0193 1.724323 1.435066 
1 1 1   11    4   18 o   78.796   0.8004  6026.64  122.335  5911.87  169.252  6152.20  177.024   78.012   1.1177   79.580   1.1459 -1.568123 1.600736 
1 1 1   11    4   19 o   51.429   0.7545  2569.88   75.311  2594.00  105.779  2545.08  107.247   51.675   1.0545   51.184   1.0794 0.4906998 1.509025 
1 1 1   11    4   20 o  121.646   1.0964 14391.32  258.872 14172.62  362.797 14618.17  369.497  120.705   1.5484  122.587   1.5527 -1.881866 2.192816 
1 1 1   11    4   21 o   23.376   1.3756  532.450   62.106  463.404   86.289  606.663   89.460   21.799   2.0391   24.953   1.8469 -3.153486 2.751197 
1 1 1   11    4   22 o  101.350   0.9617  9991.90  189.197 10093.72  269.699  9893.25  265.480  101.858   1.3640  100.843   1.3562 1.015190 1.923488 
1 1 1   11    4   23 o   22.740   1.5339  500.102   67.155  462.376   88.363  551.688  103.327   21.743   2.0936   23.737   2.2425 -1.993923 3.067849 
1 1 1   11    4   24 o   43.344   0.8883  1829.08   74.660  1852.76  108.436  1807.73  102.947   43.607   1.2810   43.080   1.2310 0.5268440 1.776629 
1 1 1   11    4   25 o   30.846   1.0999  931.810   65.689  1012.66   93.137  851.783   92.661   32.189   1.4906   29.503   1.6179 2.685558 2.199883 
1 1 1   11    4   26 o   27.802   1.4477  747.745   71.055  802.862  133.425  725.926   83.949   28.404   2.4199   27.200   1.5899 1.203899 2.895466 
1 1 1   11    4   27 o   44.846   0.8371  1968.20   72.554  1972.51  107.831  1964.64   98.074   44.874   1.2379   44.819   1.1273 0.5450058E-01 1.674261 
1 1 1   11    4   28 o   10.879   2.5411  122.386   62.188  136.387   92.483  110.830   84.019   11.345   3.6764   10.414   3.5089 0.9313841 5.082195 
1 1 1   11    4   29 o   23.614   1.4680  561.810   67.256  576.152   97.089  548.579   93.255   23.897   2.0930   23.332   2.0590 0.5645275 2.935999 
1 1 1   11    4   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    5    0 o  203.969   1.2586 40387.39  498.330 40120.40  700.983 40660.20  708.569  203.288   1.7764  204.651   1.7836 -1.362778 2.517294 
1 1 1   11    5    1 o  181.631   1.1291 32024.63  396.115 32011.76  534.240 32040.36  590.334  181.592   1.5156  181.670   1.6740 -0.7751465E-01 2.258124 
1 1 1   11    5    2 o  251.430   1.3354 61373.61  645.733 61364.03  856.925 61386.21  982.261  251.412   1.7559  251.448   2.0124 -0.3578186E-01 2.670732 
1 1 1   11    5    3 o  197.745   1.1915 37920.12  454.295 37608.93  606.997 38316.42  684.991  196.827   1.5887  198.664   1.7762 -1.837662 2.383048 
1 1 1   11    5    4 o  195.129   1.1887 36908.23  447.546 36466.30  599.133 37466.12  673.169  193.812   1.5925  196.446   1.7653 -2.634018 2.377451 
1 1 1   11    5    5 o  265.915   1.3862 68534.91  708.235 67821.76  934.754 69496.05  1085.19  264.300   1.8219  267.529   2.0896 -3.228973 2.772363 
1 1 1   11    5    6 f  131.243   0.9219 16714.62  234.832 16358.56  328.509 17086.69  335.818  129.814   1.3037  132.671   1.3040 -2.857605 1.843853 
1 1 1   11    5    7 o   95.074   0.7615  8773.91  140.441  8784.77  202.528  8763.85  194.917   95.130   1.0967   95.017   1.0568 0.1128464 1.523024 
1 1 1   11    5    8 o  136.329   0.9815 18029.11  259.234 18267.45  379.737 17821.09  354.760  137.171   1.4261  135.487   1.3489 1.684296 1.962980 
1 1 1   11    5    9 o   66.606   0.6475  4305.70   83.703  4268.13  116.988  4345.10  119.811   66.309   0.9089   66.904   0.9225 -0.5951004 1.295031 
1 1 1   11    5   10 o  118.601   0.8833 13654.68  203.319 13539.69  284.360 13774.97  290.821  118.090   1.2405  119.111   1.2578 -1.021057 1.766589 
1 1 1   11    5   11 o  155.402   1.0747 23474.11  323.776 22941.59  466.565 23968.77  449.677  153.698   1.5638  157.106   1.4745 -3.408203 2.149323 
1 1 1   11    5   12 o   33.496   0.7461  1088.24   48.455  1068.97   66.698  1109.78   70.513   33.182   1.0355   33.809   1.0744 -0.6270981 1.492176 
1 1 1   11    5   13 f  121.906   0.9024 14434.11  213.439 14377.81  306.579 14487.07  297.332  121.674   1.2980  122.138   1.2541 -0.4638824 1.804866 
1 1 1   11    5   14 o  126.137   1.2251 15521.37  287.826 15675.41  360.473 15250.42  478.087  127.027   1.4619  125.247   1.9664 1.779816 2.450286 
1 1 1   11    5   15 o   31.918   0.8155  984.986   50.415  1066.74   74.257  915.079   68.666   33.141   1.1543   30.695   1.1524 2.446165 1.631056 
1 1 1   11    5   16 o   57.138   0.6762  3169.17   74.936  3196.66  108.484  3144.08  103.632   57.374   0.9741   56.901   0.9382 0.4727058 1.352424 
1 1 1   11    5   17 o   71.410   0.7500  4953.07  103.955  5019.90  147.027  4886.26  147.001   71.892   1.0535   70.928   1.0677 0.9640503 1.499959 
1 1 1   11    5   18 o   47.139   0.7599  2155.51   69.479  2090.37   95.878  2227.55  100.825   46.390   1.0647   47.887   1.0846 -1.497246 1.519879 
1 1 1   11    5   19 f  138.071   1.2238 18546.97  328.013 18481.46  462.958 18613.01  464.810  137.827   1.7304  138.316   1.7312 -0.4895172 2.447684 
1 1 1   11    5   20 o   52.720   0.7602  2700.64   77.791  2750.55  110.118  2650.91  109.910   53.207   1.0662   52.233   1.0840 0.9735985 1.520451 
1 1 1   11    5   21 o   87.108   0.8681  7376.80  146.787  7351.97  206.449  7402.19  208.746   86.960   1.2230   87.255   1.2324 -0.2953949 1.736263 
1 1 1   11    5   22 o   25.283   1.2855  623.249   63.053  618.031   90.606  628.148   87.802   25.179   1.8538   25.388   1.7816 -0.2095013 2.571097 
1 1 1   11    5   23 o   31.431   1.0575  961.105   64.442  993.109   93.987  932.711   88.527   31.922   1.5167   30.940   1.4740 0.9824085 2.114983 
1 1 1   11    5   24 o   90.212   1.0822  7904.90  180.191  7821.85  222.147  8064.65  308.092   89.598   1.2773   90.825   1.7475 -1.227463 2.164487 
1 1 1   11    5   25 o   64.365   0.7980  4038.71   99.646  3983.02  142.675  4091.75  139.229   63.927   1.1497   64.803   1.1068 -0.8765984 1.595900 
1 1 1   11    5   26 o   45.484   0.8356  2018.82   73.262  2032.88  110.466  2007.77   97.886   45.610   1.2477   45.359   1.1117 0.2506943 1.671122 
1 1 1   11    5   27 o   27.415   1.2311  743.953   65.017  734.479   97.796  751.458   87.038   27.226   1.8504   27.604   1.6243 -0.3777103 2.462213 
1 1 1   11    5   28 o   36.344   1.0253  1297.51   72.220  1385.74  105.596  1219.98   98.991   37.501   1.4506   35.187   1.4493 2.313896 2.050509 
1 1 1   11    5   29 o   16.191   2.3053  284.628   69.818  320.087  103.216  254.719   94.795   17.159   3.2169   15.223   3.3029 1.936763 4.610586 
1 1 1   11    5   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    6    0 o  198.574   1.1979 38252.14  458.584 38039.51  612.875 38522.63  691.247  197.951   1.5950  199.199   1.7876 -1.248001 2.395744 
1 1 1   11    6    1 o  383.508   1.7426 142561.50  1282.99 141105.20  1689.22 144546.91  1972.34  381.210   2.2827  385.805   2.6336 -4.594788 3.485219 
1 1 1   11    6    2 o  142.494   1.1126 19696.29  294.779 19659.05  367.254 19763.71  494.229  142.309   1.3294  142.680   1.7844 -0.3702698 2.225225 
1 1 1   11    6    3 o  124.903   0.9115 15152.00  220.502 15269.90  302.534 15018.39  322.053  125.422   1.2426  124.383   1.3338 1.038391 1.822961 
1 1 1   11    6    4 o  151.678   1.0394 22361.20  305.293 22764.21  419.566 21907.73  445.059  153.133   1.4114  150.223   1.5262 2.910645 2.078830 
1 1 1   11    6    5 o  214.186   1.2592 44552.19  519.851 44644.48  695.553 44435.41  782.458  214.441   1.6709  213.931   1.8842 0.5104980 2.518358 
1 1 1   11    6    6 o  320.476   1.3226 99727.17  818.244 99618.84  1222.88 99815.02  1101.03  320.313   1.9667  320.639   1.7690 -0.3263550 2.645228 
1 1 1   11    6    7 o  144.502   0.9525 20273.32  266.887 20222.55  386.410 20319.63  369.057  144.328   1.3792  144.676   1.3141 -0.3475494 1.905029 
1 1 1   11    6    8 o  175.352   1.1952 29854.17  406.802 30018.55  578.130 29692.96  572.522  175.830   1.6938  174.874   1.6866 0.9558716 2.390300 
1 1 1   11    6    9 o   19.766   1.0144  379.292   38.877  404.252   55.498  355.239   54.479   20.405   1.4011   19.128   1.4672 1.277248 2.028766 
1 1 1   11    6   10 o   98.250   0.8043  9370.73  153.355  9415.82  219.793  9327.96  214.075   98.480   1.1497   98.020   1.1251 0.4599228 1.608646 
1 1 1   11    6   11 o  178.092   1.2225 30806.50  422.593 30726.20  600.089 30885.51  595.214  177.861   1.7381  178.323   1.7195 -0.4618683 2.444908 
1 1 1   11    6   12 o  192.030   1.1303 35821.08  420.293 35736.10  616.072 35895.07  574.835  191.813   1.6546  192.248   1.5403 -0.4355316 2.260596 
1 1 1   11    6   13 o  121.483   1.0166 14336.83  239.694 14486.70  337.238 14183.83  340.746  122.126   1.4225  120.840   1.4526 1.285309 2.033162 
1 1 1   11    6   14 o  120.020   0.9395 13984.64  217.990 14068.23  323.741 13915.29  294.849  120.344   1.3858  119.696   1.2690 0.6479950 1.879049 
1 1 1   11    6   15 o   33.704   0.7838  1101.37   51.224  1142.12   74.555  1064.94   70.499   34.293   1.1200   33.114   1.0967 1.178543 1.567535 
1 1 1   11    6   16 f   38.780   0.7457  1459.37   56.107  1517.08   80.611  1405.14   78.141   39.523   1.0507   38.037   1.0583 1.486279 1.491302 
1 1 1   11    6   17 o   45.167   0.7368  1981.09   64.582  2046.52   91.947  1917.38   90.732   45.904   1.0319   44.431   1.0520 1.472473 1.473576 
1 1 1   11    6   18 f  112.915   1.0240 12388.79  224.398 12191.46  313.443 12596.27  321.399  111.994   1.4418  113.837   1.4544 -1.842697 2.047957 
1 1 1   11    6   19 o   85.163   0.8468  7042.65  139.936  7256.53  201.007  6841.51  194.931   86.416   1.1983   83.909   1.1968 2.507408 1.693533 
1 1 1   11    6   20 o   68.992   0.7789  4626.12  104.284  4521.38  147.808  4729.94  147.153   68.213   1.1163   69.771   1.0865 -1.557625 1.557724 
1 1 1   11    6   21 o   85.235   0.8643  7063.25  142.982  7071.08  200.547  7055.16  203.909   85.284   1.2114   85.186   1.2331 0.9855652E-01 1.728588 
1 1 1   11    6   22 o   42.840   0.8601  1784.42   71.491  1794.34  102.944  1775.17   99.357   42.954   1.2346   42.727   1.1979 0.2275810 1.720267 
1 1 1   11    6   23 o   35.158   1.0011  1204.11   68.315  1230.96   96.950  1177.63   96.278   35.549   1.4049   34.768   1.4265 0.7805901 2.002213 
1 1 1   11    6   24 o   42.854   0.8948  1783.72   74.318  1901.65  108.756  1680.42  101.791   44.178   1.2682   41.530   1.2627 2.648392 1.789582 
1 1 1   11    6   25 o   28.106   1.3170  767.502   71.496  687.954   95.765  867.676  107.465   26.477   1.8633   29.735   1.8618 -3.258236 2.634016 
1 1 1   11    6   26 o   29.662   1.1485  862.674   65.700  876.342   99.054  851.937   87.789   29.853   1.7093   29.472   1.5345 0.3816032 2.297042 
1 1 1   11    6   27 o   51.799   0.8413  2624.82   84.152  2647.31  125.837  2606.62  113.185   51.978   1.2472   51.621   1.1295 0.3570404 1.682643 
1 1 1   11    6   28 o   20.485   1.7161  421.578   67.974  470.706  101.371  381.441   91.626   21.563   2.4218   19.408   2.4321 2.155415 3.432213 
1 1 1   11    6   29 o   12.360   2.6446  170.334   68.512  182.245  103.270  160.971   91.565   12.698   3.8529   12.023   3.6235 0.6756935 5.289112 
1 1 1   11    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    7    0 o  168.062   1.0742 27431.19  349.078 27560.65  473.904 27277.62  516.136  168.497   1.4489  167.626   1.5862 0.8701477 2.148322 
1 1 1   11    7    1 o  180.967   1.1364 31858.31  397.498 32574.91  541.252 31019.28  585.666  183.183   1.5221  178.751   1.6879 4.431259 2.272822 
1 1 1   11    7    2 o  182.900   1.1453 32461.88  404.144 32353.97  542.021 32596.99  606.490  182.560   1.5295  183.240   1.7051 -0.6801758 2.290529 
1 1 1   11    7    3 o  201.618   1.1982 39432.61  466.115 39184.70  624.699 39743.98  700.096  200.907   1.6018  202.330   1.7825 -1.423553 2.396484 
1 1 1   11    7    4 o  114.644   0.8611 12748.67  191.152 12625.22  260.701 12892.21  281.109  114.044   1.1776  115.243   1.2566 -1.198524 1.722154 
1 1 1   11    7    5 o  295.846   1.4576 84750.75  826.166 83568.13  1080.76 86413.40  1281.46  293.379   1.8977  298.313   2.2129 -4.934265 2.915212 
1 1 1   11    7    6 o  181.041   1.1265 31819.81  395.906 31815.81  559.351 31823.82  560.443  181.030   1.5917  181.053   1.5946 -0.2270508E-01 2.253098 
1 1 1   11    7    7 o  292.219   1.3874 83276.05  769.719 81174.62  1215.17 84684.16  994.718  289.112   2.1653  295.326   1.7351 -6.214600 2.774706 
1 1 1   11    7    8 o  349.471   1.3878 118672.10  936.454 117912.00  1396.04 119294.00  1262.68  348.443   2.0640  350.499   1.8558 -2.056152 2.775613 
1 1 1   11    7    9 o  168.269   1.0270 27507.70  334.813 27232.91  487.744 27752.57  460.429  167.472   1.5003  169.066   1.4029 -1.594574 2.054074 
1 1 1   11    7   10 o  102.901   0.8424 10276.11  168.185 10146.92  233.651 10415.01  242.284  102.230   1.1774  103.571   1.2051 -1.340904 1.684785 
1 1 1   11    7   11 o  150.985   1.0588 22139.28  309.950 22102.52  449.315 22172.64  428.123  150.863   1.5343  151.106   1.4596 -0.2431030 2.117619 
1 1 1   11    7   12 o  138.066   1.0281 18475.20  274.665 18961.81  407.066 18068.50  372.148  139.729   1.5008  136.403   1.4055 3.325882 2.056130 
1 1 1   11    7   13 o   56.573   0.7506  3109.99   79.371  3099.37  131.267  3116.11   99.652   56.494   1.1970   56.653   0.9061 -0.1589622 1.501293 
1 1 1   11    7   14 o   73.981   0.7157  5314.49  102.776  5323.44  146.207  5305.74  144.503   74.043   1.0172   73.920   1.0071 0.1228409 1.431404 
1 1 1   11    7   15 o   40.633   0.7373  1603.65   58.140  1570.94   82.426  1636.05   82.020   40.220   1.0557   41.046   1.0294 -0.8255463 1.474535 
1 1 1   11    7   16 o   40.686   0.7505  1604.51   59.214  1529.40   81.596  1688.07   86.064   39.683   1.0593   41.690   1.0635 -2.007633 1.500994 
1 1 1   11    7   17 o   62.728   0.7228  3821.60   88.010  3795.76  124.273  3847.59  124.658   62.516   1.0241   62.941   1.0203 -0.4255562 1.445568 
1 1 1   11    7   18 o   64.180   0.7475  3999.69   93.112  4074.85  133.299  3928.08  130.118   64.769   1.0602   63.592   1.0541 1.176800 1.495036 
1 1 1   11    7   19 o   98.791   0.9284  9485.92  178.026  9493.12  252.746  9478.84  250.798   98.827   1.3175   98.754   1.3083 0.7341766E-01 1.856708 
1 1 1   11    7   20 o   60.913   0.7628  3605.36   90.185  3581.94  128.025  3628.42  127.061   60.716   1.0862   61.110   1.0711 -0.3935242 1.525517 
1 1 1   11    7   21 o   78.943   1.1611  6066.90  177.929  6084.11  251.973  6049.78  251.287   79.055   1.6419   78.832   1.6421 0.2233810 2.322186 
1 1 1   11    7   22 o   44.971   0.8284  1962.85   72.248  2050.25  105.062  1884.44   99.512   45.919   1.1787   44.024   1.1644 1.894867 1.656862 
1 1 1   11    7   23 o   25.431   1.3364  634.536   65.671  573.874   93.859  692.714   91.916   24.225   1.9959   26.636   1.7777 -2.410870 2.672782 
1 1 1   11    7   24 o   79.189   0.8429  6108.27  129.561  6062.04  184.112  6153.62  182.354   78.890   1.2023   79.488   1.1818 -0.5984192 1.685852 
1 1 1   11    7   25 o   56.711   0.8224  3130.98   90.447  3224.17  131.549  3047.43  124.559   57.507   1.1784   55.915   1.1476 1.591930 1.644886 
1 1 1   11    7   26 o   53.387   0.9603  2794.44   96.842  2810.30  123.690  2769.33  155.672   53.636   1.1880   53.138   1.5092 0.4975624 1.920666 
1 1 1   11    7   27 o   21.035   1.5957  450.041   64.001  389.120   95.337  500.017   86.350   19.646   2.4999   22.425   1.9836 -2.779707 3.191316 
1 1 1   11    7   28 o   54.547   0.8524  2916.83   89.982  2948.78  132.804  2889.72  122.346   54.802   1.2484   54.292   1.1609 0.5093918 1.704729 
1 1 1   11    7   29 o   31.017   1.1756  951.743   70.498  1023.75  105.601  893.848   94.688   32.052   1.6973   29.981   1.6270 2.070827 2.351112 
1 1 1   11    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    8    0 o   67.303   0.5901  4397.13   77.087  4429.51  108.472  4364.09  109.573   67.554   0.8272   67.053   0.8418 0.5008392 1.180212 
1 1 1   11    8    1 o  160.577   1.0584 24994.11  328.511 24643.76  443.148 25421.52  489.466  159.331   1.4328  161.823   1.5582 -2.492325 2.116791 
1 1 1   11    8    2 o  189.015   1.1607 34702.09  423.617 34866.58  571.240 34501.10  631.443  189.516   1.5528  188.515   1.7255 1.000198 2.321329 
1 1 1   11    8    3 o  160.415   1.0999 25012.89  341.034 25339.35  462.971 24625.62  504.260  161.562   1.4762  159.267   1.6310 2.294891 2.199880 
1 1 1   11    8    4 o  130.181   0.9616 16458.40  242.380 16549.07  331.593 16354.38  355.176  130.567   1.3083  129.795   1.4097 0.7720337 1.923235 
1 1 1   11    8    5 o  119.550   0.8703 13874.40  201.967 13994.94  285.293 13753.29  285.958  120.071   1.2240  119.030   1.2376 1.041313 1.740657 
1 1 1   11    8    6 o  187.983   1.1052 34301.79  403.267 33938.91  565.681 34676.78  575.047  186.972   1.5586  188.994   1.5674 -2.021271 2.210439 
1 1 1   11    8    7 o  304.184   1.3069 89853.16  767.751 89775.43  1144.77 89916.70  1035.04  304.058   1.9395  304.310   1.7522 -0.2526855 2.613775 
1 1 1   11    8    8 o   61.496   0.6204  3669.72   74.036  3720.66  106.248  3621.64  103.223   61.911   0.8841   61.082   0.8706 0.8292465 1.240747 
1 1 1   11    8    9 o   95.318   0.7747  8804.72  143.138  9100.33  209.246  8544.73  196.234   96.819   1.1133   93.818   1.0775 3.001373 1.549386 
1 1 1   11    8   10 o  148.071   0.9930 21273.59  284.926 21556.73  416.713 21025.00  390.459  148.994   1.4408  147.148   1.3670 1.845505 1.986074 
1 1 1   11    8   11 o  188.161   1.2301 34343.64  446.859 34803.50  669.670 33974.52  599.967  189.288   1.8225  187.033   1.6525 2.254898 2.460153 
1 1 1   11    8   12 o  137.159   1.0868 18206.52  279.183 18518.56  461.752 18026.73  350.504  138.070   1.7228  136.248   1.3252 1.822021 2.173579 
1 1 1   11    8   13 o  100.613   0.8537  9826.66  166.691  9991.21  239.332  9671.65  232.299  101.430   1.2155   99.796   1.1991 1.634506 1.707476 
1 1 1   11    8   14 o   73.774   0.7223  5285.22  103.437  5240.94  146.524  5329.20  146.040   73.466   1.0274   74.082   1.0155 -0.6163940 1.444621 
1 1 1   11    8   15 o  124.673   1.1211 15033.02  264.702 14785.39  337.663 15427.81  426.351  123.364   1.4100  125.983   1.7434 -2.619179 2.242222 
1 1 1   11    8   16 o  121.163   0.9900 14264.65  232.841 14168.71  327.783 14362.36  330.811  120.752   1.3984  121.574   1.4018 -0.8220520 1.980003 
1 1 1   11    8   17 o  132.899   1.1785 17172.54  304.033 17086.54  428.900 17259.39  431.043  132.564   1.6667  133.233   1.6666 -0.6688232 2.357044 
1 1 1   11    8   18 o  136.844   1.2105 18213.37  321.556 18276.46  455.631 18150.76  453.871  137.080   1.7123  136.608   1.7116 0.4720764 2.421014 
1 1 1   11    8   19 o   33.080   0.9476  1063.15   60.792  1129.64   86.999  999.714   84.983   34.091   1.3147   32.069   1.3652 2.022167 1.895263 
1 1 1   11    8   20 o   59.561   0.7665  3447.19   88.546  3440.28  127.783  3453.58  122.812   59.502   1.1063   59.619   1.0612 -0.1175919 1.532980 
1 1 1   11    8   21 o  124.981   1.1329 15201.31  274.818 14988.11  385.407 15421.83  391.978  124.090   1.6000  125.872   1.6042 -1.781677 2.265734 
1 1 1   11    8   22 o   44.981   0.8455  1970.62   73.501  1932.52  108.590  2002.83   99.852   44.575   1.2550   45.387   1.1333 -0.8125000 1.690989 
1 1 1   11    8   23 o   43.572   0.8781  1849.16   74.226  1813.47  106.199  1883.25  103.786   43.158   1.2676   43.986   1.2155 -0.8280449 1.756223 
1 1 1   11    8   24 o   34.938   0.9725  1190.92   65.903  1174.69   94.683  1206.17   91.786   34.703   1.4055   35.172   1.3443 -0.4693642 1.944939 
1 1 1   11    8   25 o   56.911   0.8226  3158.01   90.853  3179.21  127.264  3135.98  129.742   57.109   1.1480   56.713   1.1785 0.3961487 1.645234 
1 1 1   11    8   26 o   26.598   1.5763  696.686   76.220  720.263  134.506  685.535   92.506   26.822   2.5834   26.374   1.8069 0.4478359 3.152596 
1 1 1   11    8   27 o   20.112   1.9162  415.069   71.108  306.599   97.592  537.826  103.820   17.066   3.0583   23.158   2.3095 -6.092279 3.832323 
1 1 1   11    8   28 o   21.783   1.6312  499.965   65.703  370.663   99.613  599.540   87.415   19.024   2.6975   24.542   1.8349 -5.518297 3.262373 
1 1 1   11    8   29 o   12.110   2.2655  151.279   70.092 -32.0477  104.291  302.300   94.657   7.4717   3.3753   16.748   3.0228 -9.276041 4.530993 
1 1 1   11    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    9    0 o  140.688   0.9679 19185.94  263.289 18912.41  355.636 19517.69  391.659  139.581   1.3125  141.795   1.4229 -2.214310 1.935843 
1 1 1   11    9    1 f   54.700   0.6399  2909.00   64.878  2888.24  109.230  2920.32   80.644   54.548   1.0316   54.851   0.7574 -0.3031578 1.279748 
1 1 1   11    9    2 o  209.749   1.2408 42632.12  501.331 42086.87  666.772 43341.25  760.394  208.212   1.6497  211.286   1.8540 -3.073822 2.481676 
1 1 1   11    9    3 o  287.408   1.4236 80060.39  784.762 79294.08  1030.69 81117.41  1210.51  285.782   1.8579  289.034   2.1575 -3.251373 2.847241 
1 1 1   11    9    4 o  226.742   1.2045 49913.14  530.111 49871.89  746.074 49955.19  753.359  226.647   1.6958  226.836   1.7109 -0.1886444 2.408904 
1 1 1   11    9    5 o  321.036   1.3933 100064.70  868.259 99665.53  1221.01 100473.00  1234.92  320.389   1.9633  321.683   1.9776 -1.294464 2.786641 
1 1 1   11    9    6 o  327.209   1.4179 103964.40  900.579 104279.10  1271.38 103647.50  1275.85  327.706   1.9986  326.711   2.0117 0.9949036 2.835751 
1 1 1   11    9    7 o  225.503   1.2194 49376.11  533.795 49626.92  754.304 49124.50  755.497  226.077   1.7188  224.929   1.7303 1.147919 2.438894 
1 1 1   11    9    8 o   90.490   0.7347  7947.12  129.005  8005.87  185.480  7892.06  179.546   90.813   1.0522   90.166   1.0258 0.6474304 1.469465 
1 1 1   11    9    9 o  211.397   1.1599 43408.91  474.483 43251.33  698.450 43543.95  646.588  211.036   1.7050  211.758   1.5730 -0.7218628 2.319733 
1 1 1   11    9   10 o  122.687   0.9370 14621.88  222.835 14492.88  323.230 14738.73  307.621  122.170   1.3630  123.205   1.2862 -1.034828 1.874056 
1 1 1   11    9   11 o  171.177   1.1742 28447.49  379.814 28506.22  611.985 28410.69  484.391  171.308   1.8403  171.046   1.4589 0.2616272 2.348440 
1 1 1   11    9   12 o   28.511   0.8486  790.212   46.912  817.282   65.596  761.874   67.116   29.012   1.1648   28.011   1.2343 1.001410 1.697134 
1 1 1   11    9   13 o   72.207   0.6892  5061.81   96.595  5101.53  137.820  5023.45  135.423   72.485   0.9795   71.929   0.9699 0.5565720 1.378443 
1 1 1   11    9   14 o   61.902   0.8195  3682.29   92.991  3605.40  113.519  3839.14  162.134   60.936   0.9597   62.868   1.3286 -1.932392 1.638922 
1 1 1   11    9   15 o   77.299   0.7238  5801.02  108.600  5702.05  152.230  5903.59  154.973   76.628   1.0234   77.970   1.0239 -1.342476 1.447677 
1 1 1   11    9   16 o  167.030   1.4528 27144.03  471.014 26848.20  661.403 27448.44  670.929  166.107   2.0512  167.952   2.0579 -1.845154 2.905593 
1 1 1   11    9   17 o  184.398   1.5987 33104.04  572.183 33553.23  816.890 32671.39  801.702  185.625   2.2671  183.172   2.2547 2.452255 3.197376 
1 1 1   11    9   18 o   12.645   2.2422  161.867   55.038  181.168   79.493  144.095   76.278   13.350   3.1230   11.940   3.2181 1.410336 4.484331 
1 1 1   11    9   19 o   83.546   0.8347  6781.62  135.344  6853.50  193.363  6712.58  189.505   83.979   1.1861   83.113   1.1746 0.8668747 1.669317 
1 1 1   11    9   20 o   46.509   0.8042  2095.42   72.474  2213.82  106.495  1993.28   98.911   47.728   1.1494   45.290   1.1251 2.438534 1.608413 
1 1 1   11    9   21 o   71.673   0.8153  4992.58  113.424  4890.98  159.389  5096.81  161.442   70.934   1.1576   72.412   1.1485 -1.478027 1.630657 
1 1 1   11    9   22 o   23.177   1.4286  521.470   64.080  579.734   94.369  471.618   87.290   24.374   1.9945   21.980   2.0458 2.393011 2.857189 
1 1 1   11    9   23 o   16.099   2.0465  259.726   61.887  325.262   90.372  201.853   84.924   18.188   2.5597   14.010   3.1938 4.178425 4.092907 
1 1 1   11    9   24 o   41.199   0.8946  1655.47   71.382  1635.54  104.156  1673.13   98.022   40.959   1.3100   41.440   1.2186 -0.4803391 1.789114 
1 1 1   11    9   25 o   43.176   0.9111  1820.40   76.311  1789.44  109.427  1849.72  106.474   42.814   1.3167   43.539   1.2598 -0.7258224 1.822269 
1 1 1   11    9   26 o   49.141   0.8510  2359.88   81.038  2367.29  118.272  2353.32  111.259   49.204   1.2383   49.079   1.1678 0.1253777 1.702095 
1 1 1   11    9   27 o   22.762   1.4677  515.728   64.312  521.585   97.630  511.238   85.478   22.839   2.2021   22.686   1.9411 0.1532898 2.935479 
1 1 1   11    9   28 o   41.059   0.9810  1660.70   78.144  1592.30  110.049  1730.27  110.983   40.196   1.4104   41.921   1.3638 -1.725918 1.961938 
1 1 1   11    9   29 o   17.909   2.1861  354.989   71.646  250.061  104.085  449.476   98.771   14.879   3.6348   20.939   2.4300 -6.060188 4.372244 
1 1 1   11    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   10    0 o   61.808   0.5635  3708.38   67.603  3724.04   94.822  3692.18   96.407   61.941   0.7886   61.675   0.8053 0.2656097 1.127093 
1 1 1   11   10    1 o  238.270   1.2959 55104.17  594.443 55012.64  791.097 55222.86  900.904  238.046   1.7120  238.492   1.9460 -0.4460602 2.591866 
1 1 1   11   10    2 o  108.628   0.9930 11494.26  199.152 11583.63  246.661 11326.89  337.539  109.239   1.1632  108.016   1.6098 1.223152 1.986069 
1 1 1   11   10    3 o  124.577   0.9312 15058.45  224.623 14966.73  306.638 15164.66  329.974  124.169   1.2722  124.986   1.3600 -0.8169708 1.862301 
1 1 1   11   10    4 o  138.951   0.9722 18742.79  262.214 18749.84  369.506 18735.63  372.163  138.977   1.3697  138.924   1.3800 0.5284119E-01 1.944344 
1 1 1   11   10    5 o  289.989   1.3434 81640.85  756.154 81178.41  1060.11 82119.78  1078.86  289.154   1.8887  290.824   1.9110 -1.670532 2.686851 
1 1 1   11   10    6 o   98.648   0.9129  9486.52  170.669  9261.73  271.010  9634.26  219.709   97.673   1.4294   99.623   1.1361 -1.949448 1.825889 
1 1 1   11   10    7 f  156.121   1.0290 23660.82  311.825 23455.46  437.685 23872.51  444.365  155.433   1.4506  156.808   1.4598 -1.375458 2.058018 
1 1 1   11   10    8 o   79.795   0.6941  6180.54  107.505  6213.05  153.227  6149.02  150.872   80.002   0.9867   79.589   0.9765 0.4131546 1.388215 
1 1 1   11   10    9 o  119.356   0.9147 13840.31  211.770 13574.51  303.756 14091.67  295.394  118.240   1.3234  120.473   1.2631 -2.233261 1.829457 
1 1 1   11   10   10 o   74.951   0.7922  5446.44  110.538  5480.68  184.916  5427.40  137.885   75.130   1.2679   74.771   0.9500 0.3597336 1.584336 
1 1 1   11   10   11 o  201.422   1.3996 39420.31  544.385 39365.78  812.011 39464.85  733.687  201.286   2.0782  201.558   1.8752 -0.2728882 2.799138 
1 1 1   11   10   12 o  110.794   0.8622 11919.83  185.431 11908.83  261.281 11930.99  263.208  110.742   1.2154  110.845   1.2233 -0.1026382 1.724420 
1 1 1   11   10   13 o  163.586   1.2600 25974.68  396.661 25763.24  526.478 26252.30  603.256  162.830   1.6656  164.342   1.8910 -1.511246 2.519954 
1 1 1   11   10   14 o   88.921   0.7956  7679.10  137.319  7700.65  193.185  7657.09  195.227   89.048   1.1176   88.795   1.1326 0.2529221 1.591188 
1 1 1   11   10   15 o   24.704   1.0781  593.148   51.681  609.879   73.036  576.370   73.140   25.053   1.5018   24.354   1.5471 0.6987953 2.156122 
1 1 1   11   10   16 o   76.081   0.7638  5621.45  112.790  5485.56  158.692  5760.17  160.338   75.151   1.0878   77.010   1.0726 -1.858795 1.527653 
1 1 1   11   10   17 o   72.664   0.7710  5128.96  108.745  5098.21  154.401  5159.22  153.184   72.447   1.0979   72.880   1.0828 -0.4329224 1.542012 
1 1 1   11   10   18 o   62.617   0.9254  3842.88  106.148  3911.17  130.741  3710.79  181.820   63.454   1.0614   61.780   1.5161 1.673447 1.850734 
1 1 1   11   10   19 o  117.314   1.0631 13380.86  242.044 13596.60  346.435 13175.12  338.313  118.237   1.5094  116.392   1.4974 1.845169 2.126128 
1 1 1   11   10   20 o   41.682   0.8559  1691.59   69.057  1646.84  100.751  1731.24   94.840   41.159   1.2610   42.205   1.1576 -1.046829 1.711796 
1 1 1   11   10   21 o   75.844   0.8297  5589.02  122.104  5692.17  175.671  5492.60  169.838   76.520   1.1827   75.169   1.1639 1.351501 1.659353 
1 1 1   11   10   22 o   93.471   0.9199  8500.60  166.903  8386.33  236.225  8614.50  235.847   92.842   1.3107   94.099   1.2912 -1.257858 1.839873 
1 1 1   11   10   23 o   13.512   2.3663  185.898   61.627  216.070   92.554  161.867   82.601   14.474   3.3589   12.551   3.3340 1.923523 4.732625 
1 1 1   11   10   24 o   58.841   0.8115  3371.74   92.527  3380.08  134.920  3364.33  127.133   58.903   1.1800   58.778   1.1142 0.1255951 1.622918 
1 1 1   11   10   25 o   77.532   0.8551  5859.75  128.647  6004.72  185.161  5724.46  178.871   78.456   1.2158   76.608   1.2028 1.848717 1.710239 
1 1 1   11   10   26 o   11.888   2.4963  144.718   61.409  177.541   95.108  121.251   80.419   12.908   3.6389   10.867   3.4183 2.041123 4.992636 
1 1 1   11   10   27 o   21.097   1.6188  451.712   65.358  396.173   96.605  498.592   88.755   19.818   2.5112   22.376   2.0434 -2.557983 3.237520 
1 1 1   11   10   28 o   41.005   0.9863  1656.89   78.508  1676.02  111.594  1638.14  110.468   41.240   1.3940   40.771   1.3958 0.4694977 1.972674 
1 1 1   11   10   29 o   11.569   2.7097  147.718   70.965  159.769  101.694  136.280   99.075   11.939   3.8537   11.199   3.8102 0.7400913 5.419317 
1 1 1   11   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   11    0 o  206.025   1.2128 41183.98  481.760 41004.19  644.322 41411.93  725.501  205.518   1.6151  206.532   1.8096 -1.013657 2.425513 
1 1 1   11   11    1 f   71.239   0.7554  4873.92   98.278  4775.51  119.530  5079.26  172.663   70.142   0.8779   72.336   1.2296 -2.194046 1.510862 
1 1 1   11   11    2 f  409.393   1.7060 162652.91  1344.71 161924.91  1789.05 163598.20  2038.73  408.355   2.2569  410.432   2.5589 -2.076996 3.412003 
1 1 1   11   11    3 o   59.888   1.4346  3802.13   99.560  3097.99  300.120  3889.20  105.537   56.476   2.7376   63.299   0.8589 -6.822819 2.869135 
1 1 1   11   11    4 o  290.565   1.3378 81942.13  754.377 80716.35  1052.33 83238.00  1081.99  288.331   1.8802  292.799   1.9037 -4.468018 2.675609 
1 1 1   11   11    5 o  206.905   1.1789 41553.04  473.381 41124.39  661.637 42002.59  677.571  205.812   1.6561  207.997   1.6782 -2.185150 2.357717 
1 1 1   11   11    6 o   60.155   0.6061  3510.04   70.697  3464.65   97.372  3560.64  102.809   59.744   0.8396   60.566   0.8745 -0.8217812 1.212283 
1 1 1   11   11    7 o  257.603   1.2929 64428.36  646.396 63962.94  904.245 64914.73  924.372  256.653   1.8150  258.554   1.8417 -1.900696 2.585776 
1 1 1   11   11    8 o   70.967   0.6637  4888.80   91.431  4914.48  129.622  4863.37  128.987   71.152   0.9385   70.781   0.9388 0.3709335 1.327424 
1 1 1   11   11    9 o  106.659   0.9569 11089.31  191.183 10879.17  313.237 11214.06  241.352  105.844   1.5245  107.473   1.1569 -1.628624 1.913792 
1 1 1   11   11   10 o  123.241   0.8857 14750.88  211.830 14502.23  301.305 14993.89  297.869  122.213   1.2701  124.268   1.2348 -2.055664 1.771388 
1 1 1   11   11   11 o  121.212   0.8846 14267.33  208.093 14197.98  296.991 14334.22  291.657  120.923   1.2652  121.502   1.2366 -0.5799103 1.769165 
1 1 1   11   11   12 o   26.056   1.1603  685.625   54.083  733.670   66.216  589.347   93.735   27.486   1.2410   24.625   1.9609 2.861046 2.320611 
1 1 1   11   11   13 o   73.522   0.7272  5248.73  103.781  5296.11  146.983  5201.64  146.554   73.852   1.0253   73.191   1.0315 0.6618195 1.454375 
1 1 1   11   11   14 o  122.807   0.9696 14657.35  231.025 14368.82  329.704 14935.67  323.813  121.617   1.3966  123.996   1.3453 -2.379814 1.939142 
1 1 1   11   11   15 o  113.539   0.9058 12521.94  199.635 12460.85  281.120 12584.09  283.549  113.260   1.2786  113.818   1.2834 -0.5583344 1.811625 
1 1 1   11   11   16 o  215.760   1.4175 45273.14  593.536 44457.44  827.334 46138.17  851.981  213.761   1.9938  217.758   2.0155 -3.997406 2.835084 
1 1 1   11   11   17 o   62.930   0.7479  3842.34   91.277  3936.40  132.629  3757.71  125.812   63.660   1.0733   62.200   1.0420 1.460312 1.495881 
1 1 1   11   11   18 o   45.688   0.7797  2025.49   69.042  2068.62  100.921  1987.54   94.658   46.144   1.1267   45.233   1.0781 0.9115219 1.559366 
1 1 1   11   11   19 o   36.105   0.9170  1263.63   64.124  1318.44   94.535  1216.93   87.270   36.827   1.3224   35.383   1.2706 1.443954 1.833901 
1 1 1   11   11   20 o  107.796   0.9997 11299.79  209.151 11053.12  293.534 11554.16  298.085  106.601   1.4185  108.992   1.4089 -2.390930 1.999301 
1 1 1   11   11   21 o   70.768   0.9983  4844.37  128.611  4792.97  156.315  4952.09  226.279   70.218   1.1468   71.318   1.6345 -1.099678 1.996657 
1 1 1   11   11   22 o   71.977   0.8237  5038.04  115.053  5048.07  164.696  5028.48  160.793   72.045   1.1776   71.908   1.1519 0.1367264 1.647355 
1 1 1   11   11   23 o   25.756   1.2795  662.909   62.209  572.469   95.904  728.606   81.739   24.181   2.0432   27.331   1.5407 -3.150127 2.558939 
1 1 1   11   11   24 f   39.347   0.9522  1513.13   72.452  1472.43  106.414  1548.30   98.920   38.843   1.4113   39.850   1.2788 -1.007629 1.904470 
1 1 1   11   11   25 o   36.704   0.9732  1315.11   69.280  1343.91  100.479  1289.01   95.653   37.083   1.3958   36.325   1.3565 0.7585335 1.946422 
1 1 1   11   11   26 o   28.549   1.1581  800.293   63.953  820.777   95.004  783.318   86.482   28.869   1.6953   28.230   1.5782 0.6391964 2.316173 
1 1 1   11   11   27 o   20.843   1.7170  449.654   67.224  342.094   98.711  542.685   91.803   18.337   2.7731   23.348   2.0256 -5.010370 3.434086 
1 1 1   11   11   28 o   52.365   0.8902  2695.17   90.449  2703.88  129.894  2686.97  126.022   52.438   1.2761   52.292   1.2415 0.1460876 1.780370 
1 1 1   11   11   29 o   8.1836   2.5136   8.7456   74.395   21.709  102.087  -5.9359  108.640   8.3349   3.5611   8.0322   3.5484 0.3027792 5.027156 
1 1 1   11   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   12    0 o  284.262   1.4174 78355.09  773.256 77795.38  1017.98 79118.53  1188.91  283.071   1.8526  285.454   2.1456 -2.382751 2.834722 
1 1 1   11   12    1 o  237.044   1.3021 54480.24  593.193 54038.42  783.904 55072.20  907.379  235.926   1.7117  238.162   1.9627 -2.236008 2.604224 
1 1 1   11   12    2 o  191.000   1.1966 35395.73  440.826 35225.98  590.326 35609.70  662.793  190.485   1.5965  191.514   1.7828 -1.028900 2.393176 
1 1 1   11   12    3 o  417.603   1.5630 169301.20  1263.96 168774.00  1727.11 169909.20  1854.71  416.909   2.1341  418.296   2.2842 -1.386749 3.125981 
1 1 1   11   12    4 o  157.595   1.0251 24109.26  313.599 23930.67  441.568 24291.00  445.451  157.006   1.4488  158.184   1.4507 -1.177567 2.050261 
1 1 1   11   12    5 o  183.665   1.1111 32750.53  396.096 32806.43  556.890 32693.28  563.496  183.824   1.5606  183.506   1.5819 0.3179932 2.222153 
1 1 1   11   12    6 o  136.882   0.9535 18178.95  253.264 17797.82  352.406 18586.08  364.226  135.399   1.3408  138.364   1.3561 -2.965515 1.907005 
1 1 1   11   12    7 o   93.092   0.8823  8403.97  154.058  8448.92  253.179  8377.54  194.136   93.287   1.3981   92.897   1.0766 0.3894119 1.764566 
1 1 1   11   12    8 o  225.298   1.4139 49308.57  601.034 49280.87  971.738 49325.74  764.894  225.227   2.2226  225.369   1.7484 -0.1423950 2.827884 
1 1 1   11   12    9 o  102.379   0.8201 10177.63  162.950 10109.28  232.585 10243.51  228.365  102.041   1.1742  102.717   1.1453 -0.6759872 1.640271 
1 1 1   11   12   10 o   98.093   0.8181  9338.30  155.716  9472.73  224.036  9212.66  216.584   98.776   1.1684   97.411   1.1454 1.364769 1.636199 
1 1 1   11   12   11 o   60.889   0.7894  3551.95   87.699  3463.71  106.459  3738.29  154.702   59.732   0.9181   62.047   1.2844 -2.315720 1.578837 
1 1 1   11   12   12 o  146.025   1.0145 20711.03  287.575 20635.46  404.892 20787.96  408.517  145.757   1.4310  146.294   1.4385 -0.5369873 2.029085 
1 1 1   11   12   13 o  160.891   1.1400 25149.07  355.350 25206.10  519.373 25098.88  487.247  161.057   1.6612  160.725   1.5617 0.3319855 2.280057 
1 1 1   11   12   14 o  149.050   1.0542 21585.64  305.002 21451.86  430.732 21720.18  431.947  148.587   1.4934  149.514   1.4883 -0.9269257 2.108333 
1 1 1   11   12   15 o  128.000   0.9560 15916.86  237.376 15941.84  342.207 15893.70  329.551  128.095   1.3762  127.906   1.3273 0.1890411 1.911998 
1 1 1   11   12   16 o   83.918   0.8289  6840.16  135.019  6727.88  189.915  6954.92  191.993   83.222   1.1756   84.615   1.1689 -1.392937 1.657808 
1 1 1   11   12   17 o  117.905   1.0654 13510.51  243.820 13282.40  342.048 13746.14  347.647  116.893   1.5074  118.916   1.5060 -2.023262 2.130823 
1 1 1   11   12   18 o   73.183   0.7905  5201.43  112.239  5257.00  161.592  5149.62  156.015   73.559   1.1317   72.806   1.1039 0.7533493 1.580907 
1 1 1   11   12   19 o   44.123   0.8172  1892.56   69.823  1882.48  102.215  1901.37   95.605   44.011   1.1964   44.235   1.1134 -0.2243004 1.634361 
1 1 1   11   12   20 f   37.739   0.9225  1383.51   66.819  1394.30  102.642  1375.57   88.026   37.861   1.3966   37.616   1.2055 0.2447281 1.844914 
1 1 1   11   12   21 o   46.372   0.8433  2090.30   75.824  2097.89  109.915  2083.41  104.734   46.450   1.2190   46.293   1.1655 0.1569328 1.686518 
1 1 1   11   12   22 o   75.124   0.8358  5490.43  121.812  5460.09  175.146  5518.86  169.529   74.920   1.2043   75.329   1.1594 -0.4082336 1.671665 
1 1 1   11   12   23 f   75.076   0.8279  5488.73  120.554  5435.13  173.653  5538.60  167.492   74.717   1.1973   75.435   1.1438 -0.7179413 1.655833 
1 1 1   11   12   24 o   26.675   1.3263  710.880   67.243  565.626   97.452  842.891   92.904   23.991   2.0925   29.358   1.6302 -5.366943 2.652599 
1 1 1   11   12   25 f   30.680   1.0707  908.765   63.204  1015.25   97.603  831.864   82.944   32.199   1.5616   29.161   1.4652 3.037373 2.141356 
1 1 1   11   12   26 o   16.206   2.0554  267.325   62.602  338.367   93.454  209.499   84.314   18.341   2.6248   14.071   3.1637 4.270276 4.110783 
1 1 1   11   12   27 f   22.330   1.5679  498.109   67.852  515.466   99.408  482.970   92.842   22.682   2.2578   21.979   2.1760 0.7020626 3.135711 
1 1 1   11   12   28 o   17.567   2.1761  351.042   68.442  212.178  102.900  461.217   91.656   13.761   3.7499   21.373   2.2092 -7.611990 4.352220 
1 1 1   11   12   29 f   9.3781   2.6297   70.599   71.309   76.068  101.017   65.168  100.676   9.5158   3.7387   9.2405   3.6993 0.2752256 5.259496 
1 1 1   11   13    0 o  263.344   1.3725 67285.97  694.160 67006.30  916.336 67662.57  1063.37  262.709   1.7969  263.979   2.0752 -1.270203 2.744991 
1 1 1   11   13    1 o   91.681   0.7466  8162.09  132.802  8284.82  185.889  8034.15  189.794   92.385   1.0365   90.976   1.0747 1.408737 1.493116 
1 1 1   11   13    2 o   73.278   0.8271  5202.93  117.520  5020.60  161.583  5407.70  171.233   71.917   1.1574   74.638   1.1818 -2.720833 1.654216 
1 1 1   11   13    3 o  164.052   1.0225 26125.77  325.589 26042.35  457.729 26211.20  463.225  163.788   1.4397  164.317   1.4523 -0.5298462 2.044919 
1 1 1   11   13    4 o  200.404   1.1452 38979.55  445.424 38431.09  622.586 39554.65  637.529  198.960   1.6120  201.847   1.6271 -2.886932 2.290417 
1 1 1   11   13    5 o   38.400   0.7289  1442.49   51.841  1469.53   64.632  1393.72   86.807   38.909   0.8557   37.891   1.1802 1.018406 1.457780 
1 1 1   11   13    6 o  168.057   1.0773 27412.24  351.340 27083.73  489.809 27760.41  504.246  167.020   1.5107  169.093   1.5362 -2.072739 2.154601 
1 1 1   11   13    7 o   82.632   0.9255  6628.26  148.435  6584.89  207.977  6673.29  211.915   82.357   1.3009   82.907   1.3168 -0.5506973 1.851011 
1 1 1   11   13    8 o  101.563   0.8143 10015.00  160.496  9983.30  229.239 10045.49  224.778  101.405   1.1646  101.721   1.1384 -0.3160172 1.628521 
1 1 1   11   13    9 o   58.477   0.6143  3319.49   69.727  3330.20   98.855  3308.90   98.366   58.570   0.8695   58.383   0.8680 0.1875954 1.228542 
1 1 1   11   13   10 o   82.013   0.8579  6516.32  131.452  6478.61  164.637  6582.63  218.330   81.690   1.0382   82.335   1.3660 -0.6455002 1.715803 
1 1 1   11   13   11 o   93.337   0.7723  8458.40  139.933  8455.90  197.562  8460.92  198.230   93.323   1.0906   93.350   1.0939 -0.2758026E-01 1.544671 
1 1 1   11   13   12 o   27.655   0.8518  744.405   45.586  716.772   66.372  769.082   62.720   27.167   1.2586   28.142   1.1481 -0.9753056 1.703570 
1 1 1   11   13   13 o  119.840   0.9084 13949.39  211.243 13943.54  302.915 13954.93  294.739  119.815   1.3024  119.866   1.2667 -0.5128479E-01 1.816810 
1 1 1   11   13   14 o   65.582   0.8076  4198.38   99.622  4265.37  126.689  4089.84  161.258   66.276   0.9847   64.887   1.2802 1.388725 1.615155 
1 1 1   11   13   15 o   81.376   0.7752  6432.60  122.443  6360.26  174.063  6503.45  172.272   80.922   1.1081   81.829   1.0845 -0.9070129 1.550499 
1 1 1   11   13   16 o  218.693   1.6161 46558.42  685.959 47196.75  981.154 45948.09  959.396  220.155   2.2958  217.230   2.2752 2.925430 3.232227 
1 1 1   11   13   17 o  145.286   1.2790 20533.10  360.704 20541.39  511.208 20524.88  509.023  145.314   1.8123  145.257   1.8052 0.5714417E-01 2.557976 
1 1 1   11   13   18 o   20.686   1.4495  416.715   58.150  416.468   84.100  416.941   80.492   20.679   2.0951   20.694   2.0038 -0.1476669E-01 2.899047 
1 1 1   11   13   19 o   54.682   0.7685  2902.95   81.489  2954.62  118.402  2856.45  112.324   55.142   1.1061   54.221   1.0672 0.9216652 1.537021 
1 1 1   11   13   20 o   60.037   0.7752  3506.24   90.213  3439.69  130.469  3567.21  124.877   59.488   1.1298   60.586   1.0618 -1.097763 1.550466 
1 1 1   11   13   21 o   45.284   0.8453  1984.67   74.023  2095.42  110.612  1894.84   99.617   46.421   1.2275   44.148   1.1624 2.273323 1.690561 
1 1 1   11   13   22 o   53.308   0.8286  2767.30   85.631  2691.40  123.236  2838.16  119.072   52.597   1.2070   54.019   1.1355 -1.422371 1.657196 
1 1 1   11   13   23 o   41.686   0.8998  1696.12   72.293  1662.52  108.344  1723.09   97.061   41.304   1.3513   42.069   1.1886 -0.7648544 1.799620 
1 1 1   11   13   24 o   48.442   0.8534  2287.69   80.195  2281.07  115.564  2293.83  111.377   48.371   1.2308   48.514   1.1827 -0.1434212 1.706892 
1 1 1   11   13   25 f   12.466   2.4140  157.393   59.685  198.709   93.675  129.157   77.439   13.732   3.5029   11.200   3.3226 2.531872 4.828066 
1 1 1   11   13   26 o   19.678   1.7037  388.839   64.726  375.910   95.636  399.766   87.923   19.340   2.5474   20.017   2.2628 -0.6767349 3.407307 
1 1 1   11   13   27 o   14.261   2.3715  218.861   64.298  223.893   96.029  214.772   86.568   14.369   3.4798   14.153   3.2231 0.2156973 4.743097 
1 1 1   11   13   28 o   45.438   0.9199  2024.48   80.967  2207.16  118.580  1864.93  110.822   47.356   1.2899   43.520   1.3118 3.836185 1.839793 
1 1 1   11   13   29 o   10.218   2.9145   69.506   89.640  148.900  140.396   14.866  116.470   11.823   4.4688   8.6129   3.7425 3.209619 5.828931 
1 1 1   11   14    0 o  103.177   0.8247 10338.96  165.079 10530.92  230.993 10138.58  236.001  104.157   1.1425  102.198   1.1896 1.959206 1.649371 
1 1 1   11   14    1 o  237.189   1.3058 54604.27  596.037 54487.55  792.067 54756.67  905.029  236.902   1.7224  237.477   1.9633 -0.5742493 2.611691 
1 1 1   11   14    2 o  101.030   0.7964  9905.77  156.155  9804.46  218.226 10012.07  223.544  100.501   1.1186  101.559   1.1339 -1.058350 1.592797 
1 1 1   11   14    3 o   79.945   0.7959  6128.21  117.204  5970.92  143.640  6441.54  202.736   78.430   0.9435   81.460   1.2821 -3.029343 1.591827 
1 1 1   11   14    4 o  269.134   1.3153 70328.82  687.150 70132.94  966.274 70529.23  977.375  268.756   1.8522  269.513   1.8682 -0.7572937 2.630691 
1 1 1   11   14    5 o  117.431   0.8842 13381.72  201.523 13059.43  281.793 13719.10  288.312  115.984   1.2516  118.878   1.2494 -2.893341 1.768465 
1 1 1   11   14    6 o  145.508   1.1065 20509.70  306.940 20805.94  483.520 20309.75  397.245  146.382   1.7016  144.635   1.4149 1.746826 2.213008 
1 1 1   11   14    7 o  210.348   1.2492 43003.83  508.441 42503.93  747.173 43434.95  693.870  209.203   1.8399  211.492   1.6901 -2.288559 2.498328 
1 1 1   11   14    8 o  136.761   0.9940 18172.40  263.605 17900.88  380.102 18424.01  365.892  135.775   1.4422  137.748   1.3684 -1.972809 1.988032 
1 1 1   11   14    9 f  226.018   1.4002 49537.19  613.211 48210.24  837.933 51067.29  899.791  222.770   1.9377  229.267   2.0218 -6.496796 2.800413 
1 1 1   11   14   10 o  119.638   0.9010 13890.19  208.548 13990.14  308.367 13805.95  283.110  120.033   1.3234  119.244   1.2231 0.7890320 1.802055 
1 1 1   11   14   11 o   41.168   0.7978  1653.15   58.831  1626.02  105.667  1665.34   70.823   40.919   1.3303   41.417   0.8809 -0.4982529 1.595521 
1 1 1   11   14   12 o  131.820   0.9956 16883.49  254.655 16699.35  364.282 17059.48  356.130  131.115   1.4313  132.525   1.3843 -1.409775 1.991213 
1 1 1   11   14   13 o  105.501   0.9085 10808.17  186.027 10972.94  265.848 10650.09  260.401  106.288   1.2885  104.713   1.2811 1.574844 1.816972 
1 1 1   11   14   14 o  111.934   0.8756 12173.09  190.195 11956.54  270.475 12384.91  267.502  110.948   1.2559  112.920   1.2204 -1.972397 1.751143 
1 1 1   11   14   15 o  155.748   1.1322 23574.18  341.885 23693.90  496.426 23466.17  471.531  156.119   1.6381  155.378   1.5634 0.7410583 2.264369 
1 1 1   11   14   16 f  100.049   0.9061  9725.84  175.960  9630.86  249.083  9820.46  248.607   99.561   1.2888  100.537   1.2739 -0.9764023 1.812116 
1 1 1   11   14   17 o   38.134   0.8595  1410.80   63.512  1447.15   93.050  1379.08   86.903   38.593   1.2421   37.676   1.1882 0.9168777 1.718915 
1 1 1   11   14   18 o   83.242   0.8389  6726.73  135.455  6890.91  196.173  6577.14  187.262   84.211   1.2001   82.273   1.1725 1.937393 1.677798 
1 1 1   11   14   19 o   53.229   0.7787  2752.89   80.428  2758.25  115.524  2747.86  112.042   53.278   1.1170   53.179   1.0854 0.9872055E-01 1.557466 
1 1 1   11   14   20 o   85.426   0.8588  7095.18  142.377  7076.44  203.709  7113.07  199.073   85.314   1.2301   85.538   1.1989 -0.2241821 1.717681 
1 1 1   11   14   21 o   52.573   0.8032  2694.54   81.594  2598.35  120.028  2777.19  111.253   51.694   1.1961   53.453   1.0722 -1.758972 1.606350 
1 1 1   11   14   22 o   66.983   0.8155  4366.99  105.922  4312.32  152.934  4417.40  146.844   66.576   1.1834   67.390   1.1225 -0.8143387 1.631086 
1 1 1   11   14   23 o   35.332   1.0022  1227.33   67.932  1140.21  102.028  1296.70   91.048   34.182   1.5376   36.482   1.2857 -2.299953 2.004302 
1 1 1   11   14   24 o   12.711   2.4270  169.265   63.096  115.630   91.919  217.054   86.765   10.956   3.6703   14.467   3.1766 -3.511013 4.854092 
1 1 1   11   14   25 o   23.898   1.3565  561.046   62.400  573.937   95.029  551.274   82.736   24.118   2.0298   23.678   1.8000 0.4396610 2.712957 
1 1 1   11   14   26 o   27.238   1.2484  732.625   65.815  735.905   96.926  729.819   89.652   27.276   1.8306   27.199   1.6980 0.7743454E-01 2.496860 
1 1 1   11   14   27 o   29.721   1.1797  875.519   66.032  864.550  106.776  882.311   84.025   29.502   1.8645   29.940   1.4457 -0.4383602 2.359319 
1 1 1   11   14   28 o   9.9325   2.6400   90.785   68.970   87.979  101.905   93.158   93.689   9.9414   3.7953   9.9237   3.6707 0.1764297E-01 5.279999 
1 1 1   11   14   29 o   16.221   2.7189  319.420   92.443  156.335  138.562  450.233  124.098   11.942   4.4548   20.500   3.1186 -8.557505 5.437871 
1 1 1   11   15    0 o  174.654   1.1198 29594.33  377.389 29437.58  506.232 29790.43  566.208  174.136   1.4976  175.172   1.6651 -1.036148 2.239520 
1 1 1   11   15    1 o  180.464   1.0835 31610.79  379.525 31295.02  531.568 31939.13  542.045  179.545   1.5252  181.383   1.5395 -1.837921 2.167064 
1 1 1   11   15    2 o  133.341   0.9239 17258.05  239.132 17097.61  336.064 17422.61  340.343  132.714   1.3045  133.969   1.3087 -1.255356 1.847826 
1 1 1   11   15    3 o  175.241   1.0849 29813.88  369.056 30101.95  522.549 29527.17  521.300  176.086   1.5288  174.396   1.5399 1.689545 2.169861 
1 1 1   11   15    4 o  296.210   1.3666 85147.68  785.405 83654.45  1090.21 86758.87  1132.45  293.513   1.9135  298.906   1.9517 -5.393738 2.733234 
1 1 1   11   15    5 o   28.069   0.9263  761.734   49.992  742.930   65.924  787.179   76.690   27.664   1.2276   28.475   1.3874 -0.8111134 1.852573 
1 1 1   11   15    6 o  145.373   1.0264 20531.34  289.446 20076.94  414.322 20964.52  404.530  143.799   1.4843  146.946   1.4182 -3.146439 2.052875 
1 1 1   11   15    7 o  190.256   1.2471 35156.75  460.473 35280.48  644.433 35027.68  658.200  190.600   1.7418  189.913   1.7854 0.6869354 2.494282 
1 1 1   11   15    8 o  190.198   1.3639 35206.44  496.221 35529.07  650.256 34756.57  767.834  191.258   1.7515  189.138   2.0913 2.119415 2.727870 
1 1 1   11   15    9 o   91.036   0.7990  8047.19  141.172  7871.25  199.682  8223.02  199.612   90.040   1.1424   92.031   1.1173 -1.990646 1.598016 
1 1 1   11   15   10 o  198.876   1.2474 38425.46  480.004 38346.24  707.685 38492.97  653.235  198.680   1.8349  199.073   1.6904 -0.3929443 2.494892 
1 1 1   11   15   11 o  122.637   0.9401 14601.20  223.568 14714.97  324.062 14497.87  308.832  123.091   1.3562  122.183   1.3021 0.9083862 1.880129 
1 1 1   11   15   12 f  139.576   1.0324 18918.40  279.276 19044.23  407.254 18806.70  383.707  140.011   1.4984  139.141   1.4206 0.8692780 2.064822 
1 1 1   11   15   13 o   64.607   0.7921  4074.74   96.401  4143.74  122.915  3964.48  155.388   65.326   0.9693   63.888   1.2530 1.437931 1.584115 
1 1 1   11   15   14 f   16.227   1.5606  264.599   46.634  198.954   66.502  328.110   65.412   14.083   2.5254   18.371   1.8343 -4.287677 3.121213 
1 1 1   11   15   15 o   81.949   0.7904  6521.69  125.716  6583.66  179.948  6462.60  175.706   82.328   1.1260   81.569   1.1097 0.7595291 1.580897 
1 1 1   11   15   16 o  113.928   1.0306 12612.90  227.899 12437.43  319.770 12794.02  324.888  113.123   1.4562  114.733   1.4587 -1.609940 2.061171 
1 1 1   11   15   17 o   76.615   0.7975  5694.94  118.471  5850.78  172.575  5556.04  162.927   77.604   1.1456   75.626   1.1098 1.977783 1.595023 
1 1 1   11   15   18 o   85.014   0.8478  7022.77  139.884  6865.84  196.930  7182.59  198.733   84.055   1.2069   85.973   1.1908 -1.918457 1.695505 
1 1 1   11   15   19 o   30.924   1.0539  923.505   62.987  999.921   94.644  862.750   84.390   32.062   1.5207   29.785   1.4596 2.277761 2.107794 
1 1 1   11   15   20 f   91.822   0.9008  8198.72  160.530  8161.97  229.085  8234.18  225.018   91.618   1.2881   92.026   1.2596 -0.4080963 1.801635 
1 1 1   11   15   21 o   50.365   0.7950  2463.58   77.276  2488.72  115.927  2443.48  103.668   50.591   1.1804   50.138   1.0652 0.4534454 1.589967 
1 1 1   11   15   22 o   61.015   0.7970  3621.78   94.219  3619.49  137.487  3623.81  129.374   60.992   1.1612   61.037   1.0919 -0.4504013E-01 1.593981 
1 1 1   11   15   23 o   32.254   1.0508  1016.80   65.624  986.425   95.403  1044.07   90.409   31.789   1.5460   32.719   1.4235 -0.9298096 2.101533 
1 1 1   11   15   24 o   27.372   1.2107  728.542   64.022  836.558   94.795  637.953   86.812   29.230   1.6707   25.515   1.7528 3.715656 2.421427 
1 1 1   11   15   25 o   29.216   1.1480  844.463   64.557  764.940   94.577  913.840   88.338   27.892   1.7468   30.540   1.4901 -2.647707 2.296031 
1 1 1   11   15   26 o   9.4074   2.3251   61.634   62.647 -55.0128   94.702  152.397   83.537   6.8651   3.1456   11.950   3.4248 -5.084599 4.650172 
1 1 1   11   15   27 o   42.179   0.9283  1733.95   74.876  1824.65  117.648  1672.19   97.074   43.061   1.4074   41.296   1.2109 1.764881 1.856691 
1 1 1   11   15   28 o   8.2886   2.3779   1.5942   69.201 -118.1373  100.721  108.647   95.239   6.1900   2.9610   10.387   3.7216 -4.197182 4.755824 
1 1 1   11   15   29 o   14.062   3.0653  241.737   92.456  211.415  144.446  262.781  120.337   13.249   4.5972   14.874   4.0559 -1.625746 6.130602 
1 1 1   11   16    0 o  158.224   1.0814 24282.48  330.819 24072.55  447.325 24535.90  491.485  157.471   1.4634  158.976   1.5926 -1.505341 2.162853 
1 1 1   11   16    1 o   77.112   0.6680  5763.81   99.902  5592.31  137.725  5954.25  145.133   75.903   0.9347   78.321   0.9546 -2.417595 1.336034 
1 1 1   11   16    2 o   31.887   0.6085  988.616   37.588  1019.67   52.034  954.726   54.357   32.411   0.8270   31.362   0.8929 1.049328 1.217049 
1 1 1   11   16    3 o  203.897   1.1663 40359.06  461.568 39951.98  647.423 40779.84  658.224  202.852   1.6442  204.943   1.6545 -2.090485 2.332538 
1 1 1   11   16    4 o  162.470   1.1437 25616.93  355.875 25702.67  550.506 25555.38  466.443  162.699   1.7431  162.241   1.4811 0.4578400 2.287312 
1 1 1   11   16    5 f   36.280   0.6346  1278.15   44.655  1290.92   62.105  1264.49   64.253   36.468   0.8773   36.092   0.9171 0.3754578 1.269153 
1 1 1   11   16    6 o   41.937   0.6159  1709.09   50.022  1738.63   68.821  1676.01   72.832   42.321   0.8377   41.552   0.9030 0.7695313 1.231702 
1 1 1   11   16    7 o   78.730   0.6958  6013.96  106.227  5946.98  146.524  6088.15  154.226   78.269   0.9644   79.191   1.0033 -0.9228592 1.391617 
1 1 1   11   16    8 o  103.538   0.8263 10402.34  166.035 10712.31  238.001 10108.46  231.742  105.040   1.1672  102.036   1.1700 3.003571 1.652678 
1 1 1   11   16    9 o  142.942   1.0675 19831.74  296.117 19453.71  412.342 20234.30  425.513  141.536   1.5008  144.347   1.5186 -2.810760 2.135070 
1 1 1   11   16   10 o   71.800   0.6973  4998.27   97.080  5143.45  141.319  4868.54  133.590   72.786   1.0002   70.815   0.9718 1.971306 1.394571 
1 1 1   11   16   11 o   91.206   0.7590  8076.29  134.329  8115.35  192.711  8039.37  187.342   91.420   1.0859   90.992   1.0606 0.4280624 1.517949 
1 1 1   11   16   12 o   56.300   0.6423  3068.25   70.066  3230.16  102.983  2928.73   95.603   57.679   0.9198   54.922   0.8967 2.756599 1.284570 
1 1 1   11   16   13 o   14.010   1.5661  189.628   42.359  203.231   64.064  179.061   56.463   14.452   2.2836   13.568   2.1439 0.8845491 3.132241 
1 1 1   11   16   14 o   78.381   0.7418  5963.77  112.842  5801.67  157.817  6133.33  161.410   77.292   1.0518   79.471   1.0463 -2.178818 1.483624 
1 1 1   11   16   15 o   39.777   0.7449  1539.68   57.301  1498.93   84.141  1574.93   78.251   39.284   1.1034   40.270   1.0010 -0.9862785 1.489814 
1 1 1   11   16   16 o   56.681   0.9152  3104.19   92.925  3167.01  168.412  3076.69  111.422   57.079   1.5200   56.283   1.0198 0.7964020 1.830386 
1 1 1   11   16   17 o  121.820   1.0935 14429.43  258.588 14401.68  366.786 14456.85  364.621  121.703   1.5526  121.938   1.5404 -0.2345734 2.187078 
1 1 1   11   16   18 o   78.315   0.8169  5957.54  124.100  6025.87  179.204  5894.58  172.023   78.745   1.1724   77.886   1.1378 0.8597794 1.633705 
1 1 1   11   16   19 o   44.147   0.8325  1895.78   71.183  1868.97  103.769  1919.61   97.830   43.850   1.2191   44.444   1.1339 -0.5945244 1.664931 
1 1 1   11   16   20 o   75.818   0.8213  5588.68  120.768  5565.64  174.375  5609.93  167.421   75.665   1.1872   75.971   1.1353 -0.3056183 1.642639 
1 1 1   11   16   21 f   56.255   0.7950  3078.45   86.692  3043.90  125.565  3109.91  119.837   55.951   1.1561   56.560   1.0915 -0.6089668 1.589953 
1 1 1   11   16   22 o   12.295   2.4732  147.913   62.863  205.692   95.185  103.216   83.718   14.118   3.4924   10.471   3.5028 3.647470 4.946359 
1 1 1   11   16   23 o   58.026   0.8031  3277.76   90.323  3292.50  131.512  3264.60  124.268   58.145   1.1652   57.908   1.1055 0.2371101 1.606167 
1 1 1   11   16   24 o   44.132   0.8578  1883.47   73.121  2058.99  110.379  1746.20   97.613   45.944   1.2376   42.319   1.1882 3.625340 1.715698 
1 1 1   11   16   25 o   34.210   1.0415  1146.20   68.889  1157.73  102.271  1136.63   93.206   34.354   1.5336   34.067   1.4094 0.2864647 2.082902 
1 1 1   11   16   26 o   34.930   1.0342  1208.41   69.280  1136.44  104.576  1264.70   92.486   33.956   1.5865   35.904   1.3270 -1.947243 2.068342 
1 1 1   11   16   27 o   37.732   0.9930  1387.74   72.325  1536.12  109.635  1273.42   96.235   39.490   1.4302   35.974   1.3781 3.516090 1.986087 
1 1 1   11   16   28 o   25.774   1.4886  680.185   73.278  588.709  108.438  757.068   99.412   24.048   2.3229   27.500   1.8622 -3.452379 2.977229 
1 1 1   11   16   29 o   16.627   2.6208  351.216   86.384  175.655  139.113  461.398  110.207   12.313   4.4860   20.940   2.7112 -8.627238 5.241618 
1 1 1   11   17    0 o  226.055   1.2135 49614.12  532.494 50019.02  752.398 49207.79  753.722  226.979   1.7076  225.130   1.7247 1.848816 2.427058 
1 1 1   11   17    1 o  275.565   1.3215 73731.30  706.903 73763.52  997.758 73698.82  1001.68  275.626   1.8648  275.504   1.8730 0.1213684 2.643040 
1 1 1   11   17    2 o  102.877   0.8033 10268.14  160.364 10036.65  223.434 10514.07  230.299  101.682   1.1320  104.072   1.1400 -2.390175 1.606525 
1 1 1   11   17    3 f   97.515   0.7846  9231.50  148.501  9268.86  208.898  9193.33  211.145   97.715   1.1013   97.316   1.1177 0.3992081 1.569130 
1 1 1   11   17    4 o   93.017   0.7768  8397.22  140.219  8478.61  200.861  8319.85  195.836   93.456   1.1072   92.577   1.0897 0.8788757 1.553511 
1 1 1   11   17    5 o   90.016   0.7467  7867.53  130.452  7968.42  183.343  7764.09  185.653   90.601   1.0425   89.431   1.0694 1.169518 1.493462 
1 1 1   11   17    6 o  104.969   0.8386 10681.36  170.595 10439.33  233.537 10958.27  249.797  103.696   1.1602  106.241   1.2112 -2.544876 1.677241 
1 1 1   11   17    7 o  237.683   1.2698 54861.77  585.759 54284.89  819.941 55463.04  837.101  236.408   1.7867  238.958   1.8046 -2.549866 2.539504 
1 1 1   11   17    8 o  272.539   1.5327 72149.64  810.463 71461.51  1125.89 72889.68  1167.58  271.195   2.1387  273.883   2.1961 -2.688385 3.065452 
1 1 1   11   17    9 o  100.052   0.8070  9719.02  156.726  9789.42  221.909  9648.95  221.379  100.413   1.1385   99.690   1.1440 0.7231445 1.613934 
1 1 1   11   17   10 o  141.423   0.9677 19435.07  265.490 18976.93  379.245 19875.36  371.785  139.786   1.3976  143.060   1.3388 -3.274246 1.935376 
1 1 1   11   17   11 o  185.008   1.1759 33261.00  422.251 33738.30  596.085 32780.25  598.228  186.342   1.6479  183.674   1.6779 2.668396 2.351760 
1 1 1   11   17   12 o   80.842   0.7562  6346.49  118.654  6354.52  166.300  6338.17  169.345   80.894   1.0590   80.789   1.0798 0.1049194 1.512471 
1 1 1   11   17   13 o  101.127   0.8333  9931.73  163.483  9957.68  235.433  9907.57  227.187  101.253   1.1978  101.000   1.1588 0.2528305 1.666589 
1 1 1   11   17   14 o   55.148   0.6751  2953.95   72.250  2988.56  101.427  2918.31  102.943   55.476   0.9419   54.819   0.9674 0.6566315 1.350151 
1 1 1   11   17   15 o  169.740   1.3316 28025.80  438.760 27949.24  621.659 28101.79  619.350  169.508   1.8893  169.972   1.8771 -0.4643402 2.663263 
1 1 1   11   17   16 o  136.720   1.2047 18175.56  319.703 17954.30  448.894 18403.31  455.433  135.876   1.7019  137.564   1.7055 -1.687958 2.409408 
1 1 1   11   17   17 o   19.810   1.4063  382.256   54.043  371.192   76.976  393.011   75.892   19.525   2.0309   20.094   1.9457 -0.5682564 2.812511 
1 1 1   11   17   18 o   57.454   0.7471  3207.07   83.305  3212.46  119.258  3201.94  116.414   57.500   1.0684   57.407   1.0447 0.9297180E-01 1.494283 
1 1 1   11   17   19 o   30.928   1.0458  936.280   62.366  865.686   91.378  997.838   85.330   29.825   1.5783   32.031   1.3723 -2.206072 2.091503 
1 1 1   11   17   20 o   52.653   0.7959  2697.09   81.158  2659.30  118.454  2730.52  111.419   52.303   1.1667   53.004   1.0829 -0.7015228 1.591807 
1 1 1   11   17   21 o   84.197   0.8607  6896.37  140.649  6767.57  199.357  7024.01  198.461   83.412   1.2312   84.982   1.2030 -1.569839 1.721406 
1 1 1   11   17   22 o   52.703   0.7962  2703.96   81.344  2681.42  117.903  2724.44  112.372   52.489   1.1572   52.916   1.0940 -0.4270973 1.592404 
1 1 1   11   17   23 o   8.9782   2.3113   37.366   61.980 -72.9333   91.509  130.854   84.246   6.5616   3.0372   11.395   3.4848 -4.833212 4.622589 
1 1 1   11   17   24 o   32.778   1.0291  1045.30   65.172  1099.37   97.907  1002.28   87.332   33.528   1.5043   32.029   1.4047 1.499256 2.058175 
1 1 1   11   17   25 o   25.602   1.3120  644.843   65.109  687.774   95.092  606.955   89.332   26.402   1.8554   24.802   1.8555 1.599691 2.624006 
1 1 1   11   17   26 f   29.503   1.1795  868.052   66.068  814.317  103.000  905.617   86.118   28.661   1.8513   30.344   1.4620 -1.683792 2.359010 
1 1 1   11   17   27 o   12.092   2.5451  157.535   64.081  182.474   95.890  137.409   86.141   12.868   3.6631   11.316   3.5343 1.552217 5.090146 
1 1 1   11   17   28 o   30.646   1.2544  949.628   73.599  839.759  109.063  1041.50   99.730   28.911   1.9434   32.381   1.5866 -3.469650 2.508784 
1 1 1   11   17   29 o   20.722   2.3320  438.561   88.311  649.122  149.976  326.806  109.262   24.454   3.1594   16.990   3.4310 7.463863 4.664083 
1 1 1   11   18    0 o  165.865   1.0471 26710.43  337.109 26850.64  474.876 26568.00  478.633  166.305   1.4710  165.426   1.4905 0.8781891 2.094139 
1 1 1   11   18    1 f  147.735   0.9928 21186.99  284.689 21030.34  399.902 21347.96  405.376  147.181   1.3997  148.288   1.4083 -1.107040 1.985547 
1 1 1   11   18    2 o  244.308   1.3397 57954.91  632.054 57990.25  943.114 57926.09  851.594  244.370   1.9882  244.246   1.7961 0.1236420 2.679345 
1 1 1   11   18    3 o   92.898   0.7492  8377.43  135.107  8357.47  190.896  8397.45  191.246   92.787   1.0599   93.009   1.0593 -0.2216721 1.498440 
1 1 1   11   18    4 o  150.656   1.0145 22039.28  296.644 22191.29  416.199 21882.32  422.918  151.185   1.4182  150.128   1.4512 1.057251 2.029093 
1 1 1   11   18    5 o  167.430   1.1112 27197.22  359.902 26949.92  487.971 27492.21  532.955  166.599   1.5089  168.262   1.6317 -1.662048 2.222425 
1 1 1   11   18    6 o  183.113   1.1216 32561.56  398.625 32534.12  558.975 32589.97  568.633  183.036   1.5732  183.191   1.5991 -0.1554260 2.243212 
1 1 1   11   18    7 o   41.097   0.6437  1639.54   51.342  1643.18   73.501  1636.06   71.749   41.142   0.9203   41.053   0.9003 0.8898544E-01 1.287495 
1 1 1   11   18    8 o   58.980   0.6326  3374.36   72.213  3410.83  106.510  3343.33   98.241   59.275   0.9257   58.686   0.8624 0.5887260 1.265126 
1 1 1   11   18    9 o  174.168   1.1590 29478.94  390.991 29217.74  570.796 29709.83  536.669  173.436   1.6954  174.899   1.5807 -1.463196 2.317993 
1 1 1   11   18   10 o   81.947   0.7711  6515.02  122.560  6646.58  177.695  6395.65  169.265   82.735   1.1064   81.159   1.0744 1.575806 1.542233 
1 1 1   11   18   11 o   72.593   0.7030  5117.43   99.055  5046.60  140.440  5187.55  139.733   72.093   1.0035   73.093   0.9848 -1.000389 1.406044 
1 1 1   11   18   12 o   38.821   0.6710  1465.16   50.451  1433.62   73.434  1493.35   69.430   38.424   0.9845   39.218   0.9120 -0.7935066 1.342035 
1 1 1   11   18   13 o  132.960   1.0218 17157.81  263.294 17480.53  384.999 16874.26  360.878  134.130   1.4787  131.790   1.4106 2.340195 2.043595 
1 1 1   11   18   14 o   71.246   0.7116  4929.71   98.418  4937.94  139.222  4921.50  139.145   71.306   1.0058   71.187   1.0069 0.1188736 1.423230 
1 1 1   11   18   15 o  121.418   0.9729 14324.12  229.301 14546.68  326.149 14106.58  322.444  122.351   1.3732  120.485   1.3786 1.865585 1.945875 
1 1 1   11   18   16 o   9.3113   2.2467   77.618   48.612   81.523   71.491   74.260   66.299   9.5113   3.2366   9.1112   3.1168 0.4001217 4.493334 
1 1 1   11   18   17 o   82.092   0.8157  6546.07  129.963  6635.94  185.858  6460.08  181.801   82.643   1.1585   81.541   1.1486 1.101654 1.631381 
1 1 1   11   18   18 o   16.264   1.8428  261.628   56.023  325.245   82.066  206.108   76.665   18.260   2.3152   14.267   2.8676 3.992715 3.685593 
1 1 1   11   18   19 o   44.105   0.8235  1889.05   70.400  1923.60  102.799  1858.53   96.611   44.483   1.1905   43.727   1.1382 0.7559166 1.647039 
1 1 1   11   18   20 o   53.268   0.7941  2755.28   81.979  2808.95  119.815  2708.03  112.411   53.754   1.1483   52.783   1.0971 0.9707756 1.588124 
1 1 1   11   18   21 o   28.032   1.1847  770.514   63.895  726.602   95.335  806.325   86.093   27.293   1.7994   28.771   1.5415 -1.477226 2.369421 
1 1 1   11   18   22 o   17.933   1.8328  325.978   60.906  257.794   87.393  390.368   84.927   15.912   2.9375   19.953   2.1927 -4.040887 3.665626 
1 1 1   11   18   23 o   26.477   1.2503  684.891   64.151  709.919   94.063  663.126   87.717   26.924   1.7998   26.029   1.7360 0.8943539 2.500581 
1 1 1   11   18   24 o   38.425   0.9302  1449.74   68.735  1376.69  103.021  1508.34   92.277   37.530   1.4141   39.320   1.2090 -1.790543 1.860464 
1 1 1   11   18   25 o   36.513   0.9939  1303.77   70.277  1349.83  103.682  1264.61   95.584   37.099   1.4397   35.926   1.3706 1.172741 1.987782 
1 1 1   11   18   26 o   37.336   0.9811  1395.33   69.386  1224.98  106.490  1521.01   91.468   35.261   1.5558   39.411   1.1956 -4.150375 1.962115 
1 1 1   11   18   27 o   8.7481   2.4600   51.709   63.343   24.944   93.723   74.215   85.944   8.2362   3.4605   9.2599   3.4973 -1.023638 4.919974 
1 1 1   11   18   28 o   15.349   2.2243  258.121   63.324  251.478   97.721  262.929   83.143   15.024   3.4266   15.674   2.8370 -0.6498671 4.448612 
1 1 1   11   18   29 o   16.748   2.9200  326.955   91.429  389.363  153.269  292.480  113.917   17.701   4.4619   15.796   3.7680 1.905663 5.840062 
1 1 1   11   19    0 o  134.053   0.9327 17444.23  242.675 17351.73  340.557 17539.66  345.893  133.692   1.3123  134.414   1.3257 -0.7217255 1.865317 
1 1 1   11   19    1 o  162.307   1.0500 25577.66  330.801 25746.76  466.050 25405.96  469.618  162.848   1.4743  161.766   1.4955 1.082016 2.100037 
1 1 1   11   19    2 o   78.952   0.8120  6036.73  119.035  6100.42  200.527  6002.08  147.915   79.270   1.3032   78.633   0.9690 0.6373978 1.623964 
1 1 1   11   19    3 o  205.192   1.1743 40879.29  467.715 40644.25  657.062 41120.72  665.925  204.594   1.6544  205.789   1.6670 -1.195084 2.348624 
1 1 1   11   19    4 o   86.276   0.9014  7188.92  141.241  7121.13  171.318  7332.77  249.561   85.648   1.0304   86.903   1.4794 -1.255058 1.802868 
1 1 1   11   19    5 o   58.467   0.6019  3318.15   68.314  3302.77   96.003  3333.93   97.229   58.330   0.8479   58.604   0.8547 -0.2743759 1.203893 
1 1 1   11   19    6 o  130.448   0.9436 16519.13  238.916 16872.05  340.664 16177.53  335.159  131.819   1.3313  129.077   1.3376 2.741837 1.887246 
1 1 1   11   19    7 o  110.107   0.8462 11770.90  180.873 11720.48  255.154 11821.82  256.436  109.870   1.1963  110.344   1.1972 -0.4739456 1.692488 
1 1 1   11   19    8 o  130.925   0.9946 16640.40  252.742 16378.19  353.585 16914.33  361.405  129.871   1.4025  131.979   1.4107 -2.108170 1.989252 
1 1 1   11   19    9 o  202.467   1.2393 39844.97  485.083 40066.71  657.912 39580.82  718.049  203.094   1.6688  201.841   1.8326 1.252243 2.478611 
1 1 1   11   19   10 o  174.730   1.1183 29660.56  379.292 29692.49  535.163 29628.32  537.645  174.824   1.5770  174.635   1.5860 0.1899414 2.236547 
1 1 1   11   19   11 o  124.596   0.9347 15075.20  226.040 14891.73  316.118 15267.16  323.340  123.821   1.3152  125.371   1.3286 -1.550140 1.869472 
1 1 1   11   19   12 o   38.472   0.6745  1441.58   50.098  1390.97   74.110  1484.18   67.983   37.847   1.0087   39.097   0.8958 -1.249531 1.349053 
1 1 1   11   19   13 o  126.959   0.9800 15648.60  241.322 15920.54  349.591 15401.07  333.535  128.010   1.4069  125.908   1.3647 2.102036 1.959982 
1 1 1   11   19   14 o   44.040   0.6977  1883.39   59.639  1850.07   83.858  1917.50   84.833   43.646   0.9898   44.435   0.9835 -0.7885017 1.395328 
1 1 1   11   19   15 o   74.558   0.7655  5398.87  110.789  5323.65  155.846  5475.73  157.527   74.033   1.0844   75.083   1.0808 -1.050232 1.531067 
1 1 1   11   19   16 o   93.663   0.8763  8523.39  159.305  8377.64  224.277  8671.80  226.319   92.854   1.2443   94.471   1.2341 -1.616966 1.752501 
1 1 1   11   19   17 o   54.724   0.7238  2910.58   76.849  2851.89  109.799  2966.94  107.597   54.182   1.0439   55.266   1.0029 -1.084007 1.447664 
1 1 1   11   19   18 o   77.942   0.8098  5903.61  122.491  5894.92  175.252  5911.91  171.272   77.885   1.1592   77.999   1.1312 -0.1144638 1.619638 
1 1 1   11   19   19 o   32.043   1.0466  996.948   64.916  1025.41   95.991  972.958   88.124   32.461   1.5233   31.625   1.4355 0.8365593 2.093147 
1 1 1   11   19   20 o  128.693   1.1598 16127.53  289.687 16222.81  413.608 16035.78  405.861  129.063   1.6509  128.322   1.6293 0.7404327 2.319528 
1 1 1   11   19   21 o   23.290   1.3583  530.006   61.068  526.660   91.120  532.735   82.282   23.216   2.0219   23.365   1.8142 -0.1488304 2.716522 
1 1 1   11   19   22 o   35.914   0.9753  1269.05   67.214  1160.48  100.292  1357.56   90.560   34.492   1.4979   37.335   1.2496 -2.842293 1.950654 
1 1 1   11   19   23 o   39.607   0.9034  1526.78   69.383  1602.16  100.950  1459.29   95.520   40.531   1.2831   38.683   1.2721 1.847755 1.806773 
1 1 1   11   19   24 f   25.433   1.2694  627.638   62.210  700.093   95.282  573.801   82.132   26.689   1.8391   24.177   1.7501 2.512632 2.538717 
1 1 1   11   19   25 o   33.816   1.0293  1127.79   67.150  1061.68   98.768  1184.61   91.570   32.865   1.5482   34.766   1.3568 -1.901215 2.058585 
1 1 1   11   19   26 o   24.226   1.3933  593.023   64.336  515.146   96.242  655.940   86.505   22.698   2.1843   25.754   1.7304 -3.055597 2.786641 
1 1 1   11   19   27 o   43.925   0.9222  1905.49   78.272  1809.44  114.475  1989.82  107.263   42.847   1.3763   45.002   1.2279 -2.154900 1.844429 
1 1 1   11   19   28 o   38.078   1.0195  1441.00   74.578  1401.19  112.988  1471.74   99.276   37.550   1.5501   38.605   1.3247 -1.055035 2.039038 
1 1 1   11   19   29 o   18.388   2.8407  398.621   96.399  419.282  156.058  385.872  122.582   18.416   4.4213   18.360   3.5679 0.5578232E-01 5.681371 
1 1 1   11   20    0 o   46.027   0.5568  2054.92   49.690  2027.65   68.434  2085.32   72.267   45.705   0.7713   46.350   0.8032 -0.6453094 1.113595 
1 1 1   11   20    1 o   39.669   0.5625  1527.45   43.302  1526.90   60.461  1528.04   62.048   39.662   0.7853   39.676   0.8056 -0.1459503E-01 1.125050 
1 1 1   11   20    2 o  205.013   1.1746 40807.58  467.394 40622.34  654.817 40999.98  667.350  204.539   1.6492  205.486   1.6730 -0.9473114 2.349252 
1 1 1   11   20    3 o  138.644   0.9835 18665.39  264.222 18704.66  363.107 18621.21  385.203  138.801   1.3477  138.488   1.4329 0.3127441 1.967065 
1 1 1   11   20    4 o   79.397   0.8118  6131.61  120.738  6164.50  152.189  6075.77  198.329   79.688   0.9838   79.107   1.2915 0.5809860 1.623586 
1 1 1   11   20    5 o  107.917   0.8381 11306.54  175.567 11250.71  246.728 11363.80  249.881  107.648   1.1807  108.187   1.1898 -0.5393906 1.676264 
1 1 1   11   20    6 o   67.945   0.6525  4476.50   86.005  4286.47  119.416  4681.31  123.970   66.449   0.9258   69.442   0.9197 -2.993080 1.304933 
1 1 1   11   20    7 o   99.427   0.8099  9596.94  156.300  9540.89  218.951  9655.19  223.193   99.131   1.1378   99.723   1.1530 -0.5916519 1.619866 
1 1 1   11   20    8 o   39.030   0.8333  1463.04   58.689  1522.27  105.464  1436.47   70.637   39.593   1.3722   38.466   0.9460 1.127075 1.666685 
1 1 1   11   20    9 o  166.268   1.1848 26857.13  382.392 27014.34  540.631 26699.73  540.937  166.755   1.6702  165.780   1.6809 0.9748688 2.369584 
1 1 1   11   20   10 o  293.641   1.4238 83808.58  811.428 82909.88  1135.32 84747.01  1160.15  292.034   2.0027  295.247   2.0242 -3.212555 2.847529 
1 1 1   11   20   11 o  200.235   1.2646 39008.71  490.773 38172.81  709.922 39773.84  679.211  198.169   1.8455  202.301   1.7296 -4.131348 2.529278 
1 1 1   11   20   12 o   68.088   0.6779  4502.46   89.574  4465.19  127.900  4538.35  125.488   67.811   0.9716   68.365   0.9456 -0.5540848 1.355806 
1 1 1   11   20   13 o   55.985   0.6650  3042.63   72.224  3204.06  103.150  2887.38  101.159   57.442   0.9251   54.529   0.9557 2.913467 1.330067 
1 1 1   11   20   14 o  127.385   1.0624 15771.73  262.692 15688.90  371.666 15854.40  371.340  127.051   1.5070  127.720   1.4978 -0.6694565 2.124703 
1 1 1   11   20   15 o  110.430   0.9325 11849.80  199.891 11837.83  282.838 11861.75  282.539  110.374   1.3201  110.486   1.3174 -0.1117020 1.864962 
1 1 1   11   20   16 o   69.299   0.7387  4664.25   99.350  4527.99  139.704  4803.68  141.313   68.274   1.0541   70.323   1.0352 -2.048790 1.477423 
1 1 1   11   20   17 o   8.4645   2.1220   45.679   49.162 -21.3419   71.099  107.081   68.053   6.5204   2.8760   10.409   3.1209 -3.888244 4.243977 
1 1 1   11   20   18 o   20.648   1.4089  415.839   56.403  434.604   79.219  396.548   80.324   21.123   1.9320   20.172   2.0513 0.9505672 2.817874 
1 1 1   11   20   19 o   26.608   1.1889  687.986   61.338  734.900   88.792  645.163   84.833   27.474   1.6649   25.741   1.6978 1.733587 2.377861 
1 1 1   11   20   20 o   52.189   0.8140  2657.62   82.142  2509.53  119.423  2790.58  113.163   50.800   1.2110   53.579   1.0880 -2.779015 1.628021 
1 1 1   11   20   21 o   40.345   0.8856  1599.45   68.374  1481.71  103.595  1690.33   91.014   39.006   1.3682   41.684   1.1248 -2.678280 1.771166 
1 1 1   11   20   22 o   15.102   2.0586  232.621   58.157  213.524   89.442  246.609   76.547   14.378   3.2775   15.826   2.4918 -1.447729 4.117174 
1 1 1   11   20   23 o   32.792   1.0479  1051.80   66.472  1037.04   97.772  1064.49   90.644   32.568   1.5465   33.016   1.4143 -0.4480057 2.095749 
1 1 1   11   20   24 o   17.949   1.7613  320.540   61.230  319.566   89.510  321.397   83.942   17.908   2.5749   17.989   2.4038 -0.8125114E-01 3.522534 
1 1 1   11   20   25 o   12.864   2.3780  173.592   60.468  219.742   90.439  136.284   81.316   14.349   3.3138   11.379   3.4114 2.970446 4.755942 
1 1 1   11   20   26 o   18.798   1.7737  361.408   63.780  322.895   95.134  392.851   85.958   17.801   2.7531   19.795   2.2370 -1.994305 3.547375 
1 1 1   11   20   27 o   20.505   1.6549  427.029   65.246  426.291   99.115  427.593   86.675   20.425   2.4998   20.584   2.1692 -0.1590767 3.309760 
1 1 1   11   20   28 o   15.790   2.4292  269.445   75.326  162.682  100.321  407.421  114.047   11.979   3.8235   19.600   2.9975 -7.620930 4.858454 
1 1 1   11   21    0 o  103.720   0.9117 10456.16  179.543 10385.17  284.834 10502.95  231.275  103.425   1.4187  104.015   1.1454 -0.5902481 1.823409 
1 1 1   11   21    1 o   93.563   0.7597  8492.41  137.924  8728.62  198.174  8270.52  192.076   94.823   1.0766   92.302   1.0720 2.521698 1.519321 
1 1 1   11   21    2 o   68.478   0.6306  4546.62   83.763  4423.19  115.685  4682.66  121.444   67.503   0.8829   69.454   0.9008 -1.951508 1.261274 
1 1 1   11   21    3 o  197.042   1.1572 37698.58  442.572 37452.18  619.935 37954.69  632.023  196.386   1.6262  197.697   1.6469 -1.311783 2.314468 
1 1 1   11   21    4 o  185.651   1.1304 33464.08  407.321 33076.75  569.875 33868.64  582.407  184.554   1.5907  186.749   1.6066 -2.195068 2.260860 
1 1 1   11   21    5 o   52.786   0.7339  2692.74   70.647  2740.87  123.770  2669.49   86.040   53.132   1.2000   52.440   0.8452 0.6918869 1.467830 
1 1 1   11   21    6 o  225.393   1.2668 49341.79  554.215 49102.00  777.925 49588.94  789.765  224.837   1.7824  225.948   1.8006 -1.110352 2.533616 
1 1 1   11   21    7 o  100.338   0.8140  9771.50  158.468  9873.85  228.317  9676.35  220.123  100.845   1.1663   99.832   1.1359 1.012779 1.628045 
1 1 1   11   21    8 o  102.671   0.8162 10235.34  162.679 10227.62  230.299 10243.03  229.828  102.632   1.1560  102.710   1.1527 -0.7740784E-01 1.632488 
1 1 1   11   21    9 o  156.499   1.1944 23744.16  361.676 24421.08  536.510 23180.28  489.667  158.534   1.7434  154.464   1.6331 4.069366 2.388788 
1 1 1   11   21   10 o  135.223   1.0029 17762.88  263.074 17774.04  365.503 17750.88  378.948  135.269   1.3920  135.176   1.4442 0.9234619E-01 2.005777 
1 1 1   11   21   11 o  109.940   0.9288 11741.47  198.055 11722.28  285.659 11759.23  274.839  109.852   1.3396  110.029   1.2868 -0.1765060 1.857510 
1 1 1   11   21   12 o  111.425   0.8982 12059.61  194.195 12069.42  278.678 12050.36  270.759  111.468   1.2879  111.382   1.2523 0.8555603E-01 1.796372 
1 1 1   11   21   13 o   50.978   0.6596  2521.86   65.225  2481.10   90.251  2566.42   94.371   50.547   0.9198   51.408   0.9457 -0.8610954 1.319219 
1 1 1   11   21   14 o   26.725   0.9534  691.768   49.380  740.726   72.229  648.805   67.662   27.610   1.3477   25.840   1.3489 1.769892 1.906776 
1 1 1   11   21   15 o  139.436   1.0803 18900.59  292.392 18896.68  412.989 18904.53  414.021  139.421   1.5260  139.450   1.5295 -0.2842712E-01 2.160513 
1 1 1   11   21   16 o   56.677   0.7083  3115.39   77.862  3276.15  112.613  2968.14  107.774   58.076   0.9989   55.278   1.0044 2.797699 1.416536 
1 1 1   11   21   17 o  108.907   0.9900 11532.51  209.281 11449.13  294.889 11617.13  297.060  108.511   1.4000  109.304   1.4000 -0.7932053 1.979918 
1 1 1   11   21   18 o   61.180   0.7509  3634.15   89.134  3745.71  128.364  3530.27  123.865   62.086   1.0651   60.274   1.0587 1.811485 1.501725 
1 1 1   11   21   19 o   38.439   0.8998  1436.75   67.137  1427.76   94.946  1445.74   94.947   38.318   1.2765   38.559   1.2685 -0.2409515 1.799556 
1 1 1   11   21   20 o   14.584   2.1645  220.334   59.878  165.894   90.163  263.290   80.090   12.768   3.5229   16.399   2.5160 -3.630440 4.329058 
1 1 1   11   21   21 o   58.331   0.7843  3313.27   88.548  3270.35  129.851  3350.58  121.061   57.972   1.1539   58.690   1.0626 -0.7183762 1.568634 
1 1 1   11   21   22 o   31.210   1.0221  958.751   60.774  902.948   93.979  998.860   79.676   30.405   1.5923   32.015   1.2821 -1.609327 2.044259 
1 1 1   11   21   23 o   63.430   0.7917  3920.92   97.431  3755.29  137.129  4089.76  138.457   62.073   1.1380   64.787   1.1009 -2.713970 1.583413 
1 1 1   11   21   24 o   17.829   1.8772  328.894   61.697  279.918   93.375  366.845   82.195   16.419   3.0417   19.238   2.2010 -2.818945 3.754473 
1 1 1   11   21   25 o   17.036   1.9156  316.969   57.451  230.522   91.492  373.245   73.819   14.684   3.2912   19.388   1.9614 -4.704128 3.831291 
1 1 1   11   21   26 o   39.270   0.9561  1515.37   72.726  1522.54  106.545  1509.12   99.515   39.341   1.3951   39.199   1.3078 0.1421280 1.912270 
1 1 1   11   21   27 o   35.528   0.9697  1236.70   66.386  1313.97  101.305  1178.55   87.886   36.469   1.4310   34.588   1.3090 1.880741 1.939395 
1 1 1   11   21   28 o   37.622   1.2203  1438.77   86.730  1525.06  112.751  1313.72  135.732   39.178   1.4826   36.067   1.9387 3.111118 2.440621 
1 1 1   11   22    0 o   66.461   0.6217  4286.88   80.192  4252.15  112.052  4323.34  114.816   66.185   0.8722   66.736   0.8863 -0.5516052 1.243450 
1 1 1   11   22    1 o  133.417   0.9511 17284.34  246.257 17377.75  344.991 17187.31  351.623  133.786   1.3284  133.049   1.3614 0.7361755 1.902158 
1 1 1   11   22    2 o  101.141   0.9068  9943.02  173.390  9981.56  221.595  9882.17  278.450  101.397   1.1258  100.884   1.4219 0.5136566 1.813615 
1 1 1   11   22    3 o  106.669   0.8202 11046.35  169.829 11186.86  241.103 10907.99  239.256  107.343   1.1571  105.996   1.1628 1.346558 1.640414 
1 1 1   11   22    4 o   48.424   0.5906  2273.82   55.483  2355.88   80.084  2198.08   76.941   49.263   0.8374   47.585   0.8330 1.678394 1.181155 
1 1 1   11   22    5 o  105.263   0.8317 10756.22  169.921 10969.47  241.892 10548.47  238.747  106.293   1.1723  104.233   1.1800 2.059853 1.663335 
1 1 1   11   22    6 o  175.055   1.1170 29761.57  379.538 29882.54  534.580 29638.63  538.944  175.414   1.5699  174.695   1.5893 0.7186279 2.233941 
1 1 1   11   22    7 o   95.389   0.7869  8834.37  145.707  8904.00  206.413  8765.22  205.710   95.764   1.1104   95.015   1.1153 0.7493515 1.573807 
1 1 1   11   22    8 o   24.197   0.8956  569.183   41.835  648.120   59.939  494.200   58.418   25.835   1.1952   22.558   1.3341 3.276653 1.791161 
1 1 1   11   22    9 o  125.394   0.9264 15267.18  225.438 15076.36  314.635 15468.48  323.169  124.590   1.3009  126.199   1.3192 -1.608589 1.852767 
1 1 1   11   22   10 o   72.769   0.6902  5138.17   97.454  5280.59  140.110  5004.68  135.641   73.745   0.9787   71.793   0.9733 1.952255 1.380306 
1 1 1   11   22   11 o  100.382   0.8249  9786.61  160.729  9794.49  228.652  9778.91  225.983  100.422   1.1730  100.343   1.1602 0.7919312E-01 1.649799 
1 1 1   11   22   12 o   65.925   0.6709  4219.18   85.844  4172.70  119.914  4268.05  122.947   65.553   0.9424   66.297   0.9553 -0.7443466 1.341897 
1 1 1   11   22   13 o   56.335   0.6755  3081.30   73.854  3001.07  103.657  3164.03  105.253   55.590   0.9606   57.080   0.9499 -1.489723 1.350949 
1 1 1   11   22   14 o   86.537   0.8233  7274.89  138.287  7167.42  195.350  7382.84  195.786   85.896   1.1716   87.178   1.1569 -1.282158 1.646546 
1 1 1   11   22   15 o   90.087   0.8336  7884.87  145.764  7948.00  205.999  7821.57  206.283   90.448   1.1733   89.725   1.1844 0.7231140 1.667124 
1 1 1   11   22   16 o   50.001   0.7219  2427.16   70.037  2476.41  100.885  2381.33   97.307   50.490   1.0293   49.512   1.0124 0.9780884 1.443783 
1 1 1   11   22   17 o   35.332   0.8656  1212.05   59.204  1229.78   87.293  1196.96   80.565   35.569   1.2643   35.095   1.1826 0.4745750 1.731179 
1 1 1   11   22   18 o   12.759   2.2167  163.907   55.122  210.535   80.956  123.607   75.263   14.394   2.9948   11.125   3.2690 3.269270 4.433453 
1 1 1   11   22   19 o   53.434   0.7881  2775.47   81.680  2772.77  117.890  2777.97  113.275   53.407   1.1371   53.461   1.0915 -0.5334473E-01 1.576228 
1 1 1   11   22   20 o   39.355   0.9125  1510.21   69.327  1474.20  102.903  1540.15   93.813   38.919   1.3621   39.791   1.2145 -0.8721542 1.824931 
1 1 1   11   22   21 o   31.420   1.0591  965.698   64.081  936.859   96.106  988.782   85.985   30.986   1.5978   31.854   1.3906 -0.8674660 2.118145 
1 1 1   11   22   22 o   53.755   0.8020  2818.74   83.459  2744.64  121.646  2884.63  114.717   53.079   1.1806   54.431   1.0857 -1.352234 1.603943 
1 1 1   11   22   23 o   7.6067   2.2469  -2.0312   59.624 -74.1956   89.297   56.025   80.094   6.4159   2.9804   8.7974   3.3632 -2.381472 4.493761 
1 1 1   11   22   24 o   25.612   1.2812  649.333   63.413  599.514   91.525  695.326   87.940   24.640   1.9135   26.583   1.7042 -1.942974 2.562382 
1 1 1   11   22   25 o   12.418   2.4145  167.673   60.319  142.196   91.768  187.054   80.039   11.603   3.6518   13.232   3.1596 -1.629168 4.828994 
1 1 1   11   22   26 o   21.963   1.5285  477.300   64.697  551.559   98.643  421.243   85.705   23.438   2.1681   20.487   2.1551 2.951080 3.056945 
1 1 1   11   22   27 o   26.160   1.3093  679.750   65.929  723.039  101.095  647.714   86.967   26.840   1.9403   25.479   1.7584 1.361406 2.618526 
1 1 1   11   22   28 f   15.967   3.0228  313.442   95.605  280.161  149.405  336.520  124.413   14.948   4.6523   16.987   3.8606 -2.039177 6.045526 
1 1 1   11   23    0 f  102.525   0.8014 10202.50  159.449 10108.92  222.631 10301.05  228.472  102.042   1.1239  103.007   1.1426 -0.9647369 1.602747 
1 1 1   11   23    1 o  100.526   0.9079  9799.46  171.771  9762.04  217.527  9861.46  279.962  100.275   1.1175  100.776   1.4311 -0.5007858 1.815749 
1 1 1   11   23    2 o  119.324   0.8940 13823.81  207.081 13930.06  294.062 13719.28  291.667  119.779   1.2647  118.869   1.2640 0.9096451 1.788084 
1 1 1   11   23    3 o  104.585   0.8268 10618.99  167.850 10726.35  238.593 10513.79  236.176  105.108   1.1694  104.062   1.1692 1.046654 1.653605 
1 1 1   11   23    4 o   84.497   0.7188  6931.43  117.893  7000.62  166.928  6862.58  166.525   84.918   1.0127   84.076   1.0203 0.8415527 1.437557 
1 1 1   11   23    5 o  159.685   1.0676 24753.30  330.815 24438.78  460.515 25088.67  475.533  158.638   1.4954  160.732   1.5241 -2.093811 2.135237 
1 1 1   11   23    6 o   26.478   0.8365  680.218   42.941  690.014   62.490  671.455   59.105   26.658   1.2076   26.298   1.1578 0.3605537 1.672971 
1 1 1   11   23    7 o  124.776   0.9349 15118.96  226.448 15221.43  321.002 15017.44  319.496  125.197   1.3208  124.355   1.3235 0.8418732 1.869856 
1 1 1   11   23    8 o   85.301   0.8597  7062.65  137.449  7079.92  226.102  7052.52  173.108   85.378   1.3643   85.225   1.0464 0.1530685 1.719325 
1 1 1   11   23    9 o   24.225   0.9387  568.188   44.015  633.353   64.098  510.042   60.547   25.536   1.2931   22.915   1.3612 2.621172 1.877457 
1 1 1   11   23   10 o  110.347   0.9169 11831.34  196.246 11931.62  272.656 11723.55  282.683  110.834   1.2673  109.860   1.3256 0.9743881 1.833881 
1 1 1   11   23   11 o   80.989   0.7684  6366.24  120.762  6214.98  168.231  6527.05  173.455   79.998   1.0833   81.981   1.0900 -1.983559 1.536754 
1 1 1   11   23   12 o   75.288   0.7156  5504.13  104.583  5430.98  146.967  5579.16  148.857   74.782   1.0124   75.795   1.0117 -1.013313 1.431286 
1 1 1   11   23   13 o   53.969   0.6744  2828.28   70.648  2772.15   99.371  2885.64  100.460   53.428   0.9581   54.511   0.9494 -1.083042 1.348834 
1 1 1   11   23   14 o   22.480   1.0986  490.003   47.846  510.641   70.383  472.271   65.239   22.918   1.5821   22.042   1.5247 0.8765678 2.197214 
1 1 1   11   23   15 o   84.344   0.8053  6908.41  131.814  7036.47  189.019  6787.17  183.913   85.104   1.1442   83.584   1.1335 1.520493 1.610578 
1 1 1   11   23   16 o   79.888   0.8007  6201.17  124.167  6180.08  175.505  6222.31  175.693   79.751   1.1337   80.024   1.1310 -0.2722549 1.601375 
1 1 1   11   23   17 o  112.319   1.0223 12268.19  222.880 12281.19  315.869 12255.31  314.535  112.378   1.4480  112.260   1.4434 0.1177750 2.044500 
1 1 1   11   23   18 o   40.567   0.8287  1600.32   65.158  1588.40   94.643  1611.06   89.840   40.421   1.2062   40.712   1.1368 -0.2910728 1.657468 
1 1 1   11   23   19 o   84.785   0.8530  6989.10  140.371  7048.37  200.046  6931.61  197.018   85.138   1.2104   84.431   1.2021 0.7070313 1.705919 
1 1 1   11   23   20 o   28.638   1.1365  795.269   62.966  848.450   93.836  751.710   84.924   29.502   1.6385   27.773   1.5752 1.728155 2.272904 
1 1 1   11   23   21 o   82.304   0.8534  6597.71  136.259  6531.87  195.662  6659.70  189.867   81.900   1.2307   82.708   1.1826 -0.8079605 1.706801 
1 1 1   11   23   22 o   20.344   1.5797  418.509   60.630  337.570   90.873  483.448   81.396   18.481   2.5330   22.206   1.8883 -3.724312 3.159404 
1 1 1   11   23   23 o   18.205   1.7035  330.074   59.845  305.633   87.256  351.782   82.234   17.541   2.5626   18.869   2.2451 -1.327999 3.406938 
1 1 1   11   23   24 o   39.362   0.9148  1515.91   69.823  1529.04  101.338  1504.04   96.340   39.517   1.3210   39.207   1.2658 0.3104172 1.829625 
1 1 1   11   23   25 o   23.431   1.3700  549.099   61.427  520.145   93.631  570.978   81.391   22.834   2.1124   24.028   1.7450 -1.193216 2.739923 
1 1 1   11   23   26 o   29.816   1.1884  877.971   68.097  907.880  104.625  855.987   89.698   30.215   1.7838   29.418   1.5707 0.7967834 2.376807 
1 1 1   11   23   27 o   16.728   1.9872  290.106   62.719  340.900   96.128  252.456   82.761   18.117   2.7334   15.339   2.8853 2.777466 3.974497 
1 1 1   11   23   28 o   20.382   2.6054  478.360   98.186  439.027  152.386  506.280  128.390   19.094   4.2234   21.669   3.0522 -2.575556 5.210854 
1 1 1   11   24    0 o   63.910   0.6985  3927.77   83.474  3830.01  104.195  4102.92  139.474   62.813   0.8545   65.008   1.1052 -2.195789 1.397077 
1 1 1   11   24    1 o  157.667   1.0436 24139.10  319.380 24040.40  448.996 24240.18  454.397  157.342   1.4701  157.993   1.4816 -0.6517944 2.087152 
1 1 1   11   24    2 o  112.515   0.8598 12291.22  187.788 12469.43  266.324 12115.01  264.827  113.326   1.2106  111.704   1.2213 1.622482 1.719673 
1 1 1   11   24    3 o   67.436   0.6460  4412.04   84.531  4509.80  121.610  4320.65  117.580   68.158   0.9192   66.714   0.9079 1.444420 1.291971 
1 1 1   11   24    4 o  137.053   0.9838 18238.63  261.716 18129.26  368.370 18350.11  371.899  136.639   1.3888  137.468   1.3937 -0.8295441 1.967513 
1 1 1   11   24    5 o   70.993   0.6617  4893.11   91.168  4772.89  128.673  5014.31  129.190   70.117   0.9454   71.869   0.9260 -1.751770 1.323341 
1 1 1   11   24    6 o  152.834   1.0420 22684.49  309.083 22620.71  433.044 22750.72  441.292  152.616   1.4617  153.053   1.4853 -0.4364014 2.083945 
1 1 1   11   24    7 o   76.028   0.6868  5608.38  101.307  5727.15  146.013  5498.13  140.676   76.803   0.9794   75.252   0.9630 1.550865 1.373525 
1 1 1   11   24    8 o  153.462   1.1675 22864.47  346.950 23146.15  510.307 22622.34  473.122  154.335   1.7033  152.590   1.5973 1.745483 2.335098 
1 1 1   11   24    9 o   37.005   0.7059  1325.96   50.588  1461.37   73.508  1204.11   69.727   38.795   0.9761   35.214   1.0200 3.580490 1.411829 
1 1 1   11   24   10 o   37.691   0.6848  1378.05   50.066  1310.15   69.680  1450.51   71.985   36.732   0.9772   38.650   0.9595 -1.917793 1.369512 
1 1 1   11   24   11 o   56.724   0.6463  3125.25   71.136  3210.24  100.363  3039.45  100.841   57.499   0.8992   55.948   0.9285 1.551235 1.292535 
1 1 1   11   24   12 f   54.675   0.6622  2902.98   70.274  2954.73   99.551  2851.58   99.216   55.160   0.9297   54.189   0.9432 0.9717445 1.324396 
1 1 1   11   24   13 o  112.021   0.9329 12191.22  202.854 12041.84  284.788 12345.06  289.017  111.325   1.3178  112.717   1.3209 -1.392632 1.865869 
1 1 1   11   24   14 o  175.161   1.3622 29854.74  463.164 29585.49  653.974 30125.70  656.056  174.367   1.9321  175.955   1.9208 -1.587341 2.724404 
1 1 1   11   24   15 o  108.979   0.9534 11542.73  201.684 11583.03  286.638 11503.22  283.833  109.166   1.3526  108.791   1.3440 0.3758087 1.906830 
1 1 1   11   24   16 o   71.856   0.7651  5016.90  106.726  5011.73  150.807  5022.09  151.061   71.819   1.0817   71.893   1.0824 -0.7410431E-01 1.530282 
1 1 1   11   24   17 o   34.052   0.8614  1124.91   56.801  1157.54   83.732  1097.10   77.310   34.507   1.2500   33.597   1.1854 0.9103889 1.722732 
1 1 1   11   24   18 o   27.615   1.0581  744.332   56.540  688.897   80.960  797.109   78.995   26.605   1.5676   28.625   1.4216 -2.020353 2.116241 
1 1 1   11   24   19 o   51.417   0.7854  2567.68   78.261  2780.50  112.494  2368.05  108.948   53.482   1.0836   49.352   1.1372 4.129719 1.570798 
1 1 1   11   24   20 o   72.182   0.8082  5058.15  113.013  5228.48  166.263  4911.85  154.081   73.305   1.1684   71.058   1.1170 2.246780 1.616462 
1 1 1   11   24   21 o   44.781   0.8533  1947.66   73.690  1997.68  111.369  1908.71   98.282   45.283   1.2670   44.279   1.1434 1.004669 1.706643 
1 1 1   11   24   22 o   34.089   0.9860  1146.33   64.229  1057.87   97.650  1213.79   85.271   32.898   1.5291   35.281   1.2451 -2.383030 1.971920 
1 1 1   11   24   23 o   7.2585   2.2057 -28.2422   58.202   48.113   90.191 -82.7300   76.189   8.8830   3.5191   5.6341   2.6601 3.248939 4.411344 
1 1 1   11   24   24 o   46.953   0.8524  2155.91   77.406  2162.70  114.577  2150.22  104.987   47.005   1.2557   46.900   1.1532 0.1048737 1.704881 
1 1 1   11   24   25 o   13.025   2.3692  183.999   60.388  164.105   89.417  200.681   81.882   12.341   3.5451   13.708   3.1440 -1.366922 4.738433 
1 1 1   11   24   26 o   31.100   1.1236  953.352   67.209  991.773  103.052  924.913   88.659   31.606   1.6796   30.594   1.4929 1.011955 2.247180 
1 1 1   11   24   27 o   13.975   2.4405  214.003   65.723  266.899  100.695  174.743   86.749   15.464   3.4430   12.485   3.4598 2.978461 4.880993 
1 1 1   11   24   28 o   14.537   2.9166  267.809   91.331  165.854  143.238  337.656  118.558   12.013   4.5198   17.061   3.6874 -5.048033 5.833167 
1 1 1   11   25    0 o  147.318   1.0175 21076.41  290.936 21186.77  408.605 20962.93  414.348  147.710   1.4250  146.926   1.4528 0.7837524 2.035028 
1 1 1   11   25    1 o   51.172   0.8921  2542.42   88.603  2535.17  124.208  2549.94  126.427   51.098   1.2522   51.246   1.2709 -0.1483116 1.784166 
1 1 1   11   25    2 o  100.697   0.8010  9842.09  156.557  9698.81  219.031  9991.76  223.857   99.948   1.1289  101.446   1.1368 -1.497978 1.602091 
1 1 1   11   25    3 o  115.417   0.8854 12932.91  198.362 13103.02  281.946 12766.19  279.127  116.168   1.2503  114.665   1.2540 1.502960 1.770820 
1 1 1   11   25    4 f  177.495   1.1268 30597.06  388.195 30583.93  544.900 30610.59  553.175  177.457   1.5818  177.533   1.6052 -0.7569885E-01 2.253602 
1 1 1   11   25    5 o  114.834   0.8805 12804.71  196.280 12898.92  277.590 12710.52  277.574  115.256   1.2407  114.411   1.2498 0.8451614 1.761087 
1 1 1   11   25    6 o  109.971   0.8635 11742.42  184.314 11642.18  258.508 11846.07  262.867  109.494   1.2162  110.449   1.2261 -0.9541855 1.726976 
1 1 1   11   25    7 o  132.407   0.9631 17019.31  247.476 16660.70  344.862 17400.04  355.341  130.970   1.3565  133.844   1.3677 -2.873657 1.926273 
1 1 1   11   25    8 o  156.672   1.0955 23830.08  332.619 24151.84  486.198 23547.01  456.037  157.661   1.5886  155.683   1.5090 1.978485 2.191094 
1 1 1   11   25    9 o   61.575   0.6679  3681.53   79.837  3665.24  112.924  3697.82  112.888   61.439   0.9468   61.712   0.9424 -0.2725525 1.335868 
1 1 1   11   25   10 o   58.832   0.6727  3360.10   76.814  3451.04  109.464  3271.88  107.817   59.616   0.9459   58.048   0.9568 1.568405 1.345456 
1 1 1   11   25   11 o   63.366   0.6699  3897.02   82.375  3805.48  114.860  3993.98  118.203   62.601   0.9452   64.132   0.9495 -1.531517 1.339751 
1 1 1   11   25   12 o   21.138   1.1261  434.228   46.071  391.004   64.258  479.950   66.089   20.054   1.6506   22.221   1.5321 -2.166801 2.252113 
1 1 1   11   25   13 o   52.482   0.6635  2675.21   67.556  2567.66   95.215  2784.25   95.867   51.419   0.9539   53.545   0.9223 -2.125744 1.326906 
1 1 1   11   25   14 o   22.283   1.1814  482.976   50.676  403.593   70.220  569.254   73.206   20.369   1.7760   24.197   1.5586 -3.828079 2.362864 
1 1 1   11   25   15 o   34.903   0.9865  1132.46   63.736  1025.14   77.602  1354.92  111.724   32.479   1.2308   37.327   1.5419 -4.847511 1.972930 
1 1 1   11   25   16 o  127.828   1.1389 15897.29  282.603 15991.09  401.158 15804.87  398.182  128.203   1.6120  127.454   1.6094 0.7481613 2.277837 
1 1 1   11   25   17 o   58.279   0.7318  3301.68   82.735  3263.56  118.815  3337.55  115.275   57.951   1.0562   58.607   1.0133 -0.6561928 1.463652 
1 1 1   11   25   18 o   46.440   0.7772  2101.30   69.845  2019.42  101.674  2174.47   96.113   45.578   1.1492   47.302   1.0467 -1.723637 1.554436 
1 1 1   11   25   19 f   89.414   0.8804  7776.69  152.795  7791.10  217.200  7762.56  214.985   89.495   1.2502   89.333   1.2397 0.1624298 1.760700 
1 1 1   11   25   20 o   97.705   0.9350  9296.17  177.294  9371.11  253.741  9224.68  247.827   98.087   1.3326   97.323   1.3118 0.7640457 1.869957 
1 1 1   11   25   21 o   10.190   2.3814   85.051   59.233  160.442   87.422   21.067   80.537   12.483   3.4782   7.8973   3.2537 4.585684 4.762758 
1 1 1   11   25   22 o   58.577   0.7734  3350.61   87.723  3196.97  126.658  3492.25  121.613   57.274   1.1392   59.880   1.0462 -2.605850 1.546764 
1 1 1   11   25   23 o   24.279   1.2535  581.337   57.658  572.600   91.764  587.037   74.116   24.092   1.9622   24.467   1.5605 -0.3745079 2.507057 
1 1 1   11   25   24 o   26.597   1.2432  701.383   63.554  679.646   95.996  718.344   84.799   26.193   1.8880   27.001   1.6179 -0.8081284 2.486416 
1 1 1   11   25   25 o   9.5110   2.5082   79.173   61.986   71.811   93.260   84.998   82.962   9.4390   3.6242   9.5831   3.4684 -0.1441851 5.016464 
1 1 1   11   25   26 o   14.116   2.2143  225.286   58.943  165.179   96.302  261.294   74.536   12.211   3.7241   16.022   2.3965 -3.811249 4.428594 
1 1 1   11   25   27 o   11.962   2.5127  163.082   64.385  118.162   96.273  199.431   86.602   10.582   3.7470   13.342   3.3489 -2.760427 5.025465 
1 1 1   11   26    0 o  153.414   1.0441 22855.57  310.934 23007.13  440.040 22704.44  439.416  153.923   1.4727  152.906   1.4804 1.016281 2.088204 
1 1 1   11   26    1 o  106.267   0.9830 10897.69  195.242 10719.67  244.044 11214.21  325.422  105.075   1.1965  107.459   1.5601 -2.383774 1.966042 
1 1 1   11   26    2 o  103.761   0.8261 10448.62  166.341 10268.90  231.917 10639.03  238.714  102.843   1.1617  104.679   1.1748 -1.836624 1.652157 
1 1 1   11   26    3 o   88.367   0.7595  7580.10  130.275  7698.91  185.530  7464.55  182.970   89.050   1.0733   87.684   1.0750 1.365845 1.519046 
1 1 1   11   26    4 o   69.433   0.6598  4679.99   88.919  4742.01  126.226  4618.90  125.280   69.889   0.9304   68.976   0.9357 0.9132767 1.319514 
1 1 1   11   26    5 o  134.654   0.9618 17609.47  251.379 17624.38  352.791 17594.10  358.280  134.713   1.3491  134.596   1.3713 0.1170959 1.923665 
1 1 1   11   26    6 o   25.808   0.8521  652.858   42.257  558.067   60.679  742.118   58.883   23.971   1.3040   27.645   1.0972 -3.674229 1.704252 
1 1 1   11   26    7 o   88.121   0.7504  7540.60  128.358  7552.60  181.182  7528.50  181.871   88.192   1.0583   88.051   1.0641 0.1409912 1.500762 
1 1 1   11   26    8 o   58.667   0.7733  3311.95   83.097  3252.30  101.424  3433.75  144.933   57.876   0.9028   59.459   1.2557 -1.582615 1.546532 
1 1 1   11   26    9 o  129.284   0.9908 16230.14  248.278 16093.44  341.312 16383.77  361.822  128.709   1.3661  129.859   1.4354 -1.149628 1.981520 
1 1 1   11   26   10 o  118.945   0.9847 13747.76  227.131 13801.11  314.525 13689.61  328.345  119.189   1.3594  118.701   1.4250 0.4879074 1.969417 
1 1 1   11   26   11 o   97.134   0.8426  9164.33  158.866  9101.07  222.667  9229.92  226.729   96.793   1.1851   97.475   1.1983 -0.6818695 1.685293 
1 1 1   11   26   12 o   44.243   0.6944  1897.57   59.545  1843.30   81.544  1959.57   87.155   43.567   0.9642   44.919   0.9995 -1.352024 1.388809 
1 1 1   11   26   13 o   63.028   0.6891  3848.42   84.201  4051.37  123.050  3669.71  115.469   64.587   0.9815   61.470   0.9677 3.116840 1.378296 
1 1 1   11   26   14 o   70.727   0.7405  4857.45  101.638  4789.50  141.793  4929.26  145.766   70.219   1.0403   71.235   1.0541 -1.016350 1.480994 
1 1 1   11   26   15 o   67.785   0.7366  4463.70   96.924  4499.30  137.654  4428.70  136.496   68.053   1.0420   67.517   1.0415 0.5359955 1.473244 
1 1 1   11   26   16 o   41.499   0.7999  1673.57   64.436  1688.18   91.100  1658.96   91.153   41.681   1.1259   41.318   1.1365 0.3627701 1.599807 
1 1 1   11   26   17 o   52.845   0.7289  2706.14   74.594  2817.07  110.173  2612.24  101.362   53.841   1.0541   51.849   1.0071 1.991558 1.457890 
1 1 1   11   26   18 o   47.060   0.7644  2150.21   69.605  2181.78  102.970  2123.65   94.453   47.375   1.1197   46.744   1.0409 0.6304436 1.528806 
1 1 1   11   26   19 o   46.599   0.9833  2136.49   84.966  2193.40  106.325  2035.93  141.334   47.489   1.1534   45.709   1.5929 1.779423 1.966611 
1 1 1   11   26   20 o   58.457   0.7778  3329.54   88.141  3165.40  125.593  3488.86  123.729   57.030   1.1345   59.883   1.0644 -2.852737 1.555623 
1 1 1   11   26   21 o   36.733   0.9407  1316.21   66.894  1311.22   98.199  1320.52   91.375   36.661   1.3799   36.804   1.2790 -0.1430435 1.881429 
1 1 1   11   26   22 o   21.119   1.4563  441.797   59.048  418.176   88.935  460.419   78.965   20.586   2.2256   21.652   1.8788 -1.065874 2.912563 
1 1 1   11   26   23 o   17.909   1.7815  345.449   55.891  249.057   88.533  409.323   72.068   15.440   3.0621   20.378   1.8219 -4.937880 3.563088 
1 1 1   11   26   24 o   48.869   0.8308  2344.94   78.525  2227.69  114.158  2450.24  108.184   47.685   1.2333   50.054   1.1134 -2.368225 1.661532 
1 1 1   11   26   25 o   21.451   1.5499  465.375   63.904  430.696   94.906  494.141   86.435   20.655   2.3670   22.247   2.0015 -1.591578 3.099754 
1 1 1   11   26   26 o   14.889   2.2200  238.628   61.843  265.081   93.444  218.011   82.495   15.609   3.1917   14.169   3.0866 1.439576 4.440039 
1 1 1   11   26   27 o   13.230   2.3865  205.365   66.086  105.732   98.667  286.426   88.997   10.209   3.7688   16.251   2.9289 -6.042643 4.773072 
1 1 1   11   27    0 o  141.747   0.9973 19509.52  274.418 19710.36  389.865 19312.29  386.330  142.471   1.4097  141.024   1.4112 1.446091 1.994695 
1 1 1   11   27    1 o  153.959   1.0415 23018.47  311.272 23081.62  441.238 22955.91  439.180  154.169   1.4744  153.749   1.4715 0.4202576 2.083066 
1 1 1   11   27    2 o   22.997   0.8282  515.444   36.691  439.146   51.569  593.667   52.216   21.267   1.2492   24.728   1.0878 -3.461256 1.656437 
1 1 1   11   27    3 o  133.214   0.9591 17233.75  248.010 17269.86  349.176 17196.98  352.322  133.355   1.3489  133.073   1.3639 0.2824402 1.918249 
1 1 1   11   27    4 o   21.505   0.9154  449.047   38.211  455.002   54.433  443.262   53.653   21.646   1.2955   21.364   1.2937 0.2810726 1.830830 
1 1 1   11   27    5 o   50.972   0.6001  2520.90   59.352  2579.43   85.338  2466.05   82.602   51.545   0.8529   50.399   0.8443 1.145451 1.200117 
1 1 1   11   27    6 o  222.601   1.2770 48140.54  551.614 47493.63  768.263 48828.91  792.500  221.061   1.7903  224.141   1.8214 -3.080780 2.553995 
1 1 1   11   27    7 o   38.023   0.6306  1403.59   46.542  1419.03   66.161  1388.46   65.484   38.230   0.8915   37.816   0.8921 0.4139442 1.261185 
1 1 1   11   27    8 o  113.982   0.9012 12620.71  199.374 12545.95  283.927 12693.43  280.029  113.648   1.2870  114.316   1.2619 -0.6677704 1.802442 
1 1 1   11   27    9 o   74.665   0.7105  5413.65  102.977  5394.28  145.671  5432.99  145.593   74.532   1.0069   74.799   1.0027 -0.2670670 1.420984 
1 1 1   11   27   10 o   95.314   0.7927  8821.52  146.619  8726.84  204.604  8921.46  210.212   94.789   1.1120   95.839   1.1299 -1.049988 1.585303 
1 1 1   11   27   11 o   32.658   0.7945  1035.42   50.332  1022.16   69.651  1049.90   72.815   32.440   1.1061   32.876   1.1410 -0.4365005 1.589079 
1 1 1   11   27   12 o   89.084   0.8000  7708.88  138.339  7712.87  195.608  7704.90  195.673   89.107   1.1309   89.061   1.1318 0.4611206E-01 1.599964 
1 1 1   11   27   13 o   97.715   0.8544  9281.23  161.980  9475.82  227.208  9080.12  230.987   98.759   1.1852   96.671   1.2309 2.087822 1.708738 
1 1 1   11   27   14 o   39.562   0.7705  1517.25   59.092  1417.69   81.612  1626.97   85.673   38.200   1.1006   40.924   1.0785 -2.723301 1.540904 
1 1 1   11   27   15 o   66.984   0.7391  4356.85   96.068  4441.25  138.273  4278.10  133.571   67.610   1.0536   66.357   1.0369 1.252342 1.478262 
1 1 1   11   27   16 o   83.696   0.8279  6807.70  134.501  6911.91  191.443  6706.12  189.007   84.328   1.1695   83.063   1.1722 1.265121 1.655837 
1 1 1   11   27   17 o   47.741   0.7363  2213.43   68.154  2242.59   99.130  2187.29   93.854   48.038   1.0631   47.444   1.0191 0.5935822 1.472615 
1 1 1   11   27   18 f   23.402   1.2404  529.601   56.114  599.625   83.382  471.636   75.863   24.807   1.7316   21.998   1.7766 2.808477 2.480822 
1 1 1   11   27   19 o   99.457   0.9420  9630.09  181.849  9687.18  259.058  9574.63  255.329   99.747   1.3379   99.168   1.3264 0.5784683 1.883960 
1 1 1   11   27   20 o   67.387   0.7847  4417.71  102.615  4504.46  147.161  4335.60  143.161   68.029   1.1144   66.744   1.1050 1.285660 1.569328 
1 1 1   11   27   21 o   10.741   2.3821  108.999   58.104  165.394   83.791   56.763   80.643   12.624   3.3600   8.8583   3.3776 3.766055 4.764164 
1 1 1   11   27   22 o   41.639   0.8861  1692.33   71.280  1693.24  106.113  1691.58   96.221   41.638   1.3128   41.641   1.1904 -0.2532959E-02 1.772167 
1 1 1   11   27   23 o   22.259   1.3943  498.760   58.998  437.550   89.454  545.885   78.489   20.978   2.1967   23.540   1.7176 -2.562813 2.788541 
1 1 1   11   27   24 o   21.941   1.4451  477.598   61.105  494.260   92.761  464.826   81.217   22.249   2.1478   21.633   1.9340 0.6154003 2.890229 
1 1 1   11   27   25 o   12.782   2.3539  167.215   63.055  278.851   95.802   81.894   83.753   16.112   3.1760   9.4519   3.4751 6.660225 4.707768 
1 1 1   11   27   26 o   12.322   2.3213  175.640   60.096   94.230   93.830  232.263   78.253   9.9174   3.6725   14.727   2.8402 -4.809793 4.642600 
1 1 1   11   27   27 o   10.904   2.6846  128.168   75.995  190.204   98.767   38.141  118.980   12.781   3.7418   9.0283   3.8506 3.752264 5.369155 
1 1 1   11   28    0 o  134.987   0.9658 17694.15  253.077 17804.18  358.993 17585.44  356.826  135.404   1.3658  134.570   1.3660 0.8343811 1.931663 
1 1 1   11   28    1 o   38.125   0.6688  1396.12   48.784  1327.90   63.172  1496.91   76.785   36.984   0.8799   39.266   1.0074 -2.281830 1.337564 
1 1 1   11   28    2 o   59.772   0.7471  3464.04   82.195  3453.68  101.190  3484.13  140.924   59.645   0.8740   59.900   1.2120 -0.2557526 1.494220 
1 1 1   11   28    3 o   96.453   0.7848  9033.24  146.932  9092.04  208.133  8974.81  207.454   96.766   1.1080   96.140   1.1116 0.6259689 1.569533 
1 1 1   11   28    4 o  151.852   1.0427 22399.86  307.359 22441.43  433.507 22357.84  435.845  151.995   1.4693  151.710   1.4800 0.2842712 2.085441 
1 1 1   11   28    5 o  162.399   1.1052 25621.62  348.367 25478.58  488.956 25769.09  496.460  161.939   1.5554  162.859   1.5704 -0.9190521 2.210319 
1 1 1   11   28    6 o   39.425   0.6701  1508.31   51.270  1553.55   73.520  1465.49   71.535   40.000   0.9468   38.850   0.9486 1.150135 1.340252 
1 1 1   11   28    7 o   65.617   0.6560  4179.98   83.544  4214.22  119.430  4147.17  116.909   65.880   0.9339   65.354   0.9215 0.5258255 1.312009 
1 1 1   11   28    8 o  137.896   1.0128 18473.44  271.083 18818.75  385.004 18133.92  381.754  139.175   1.4251  136.618   1.4395 2.557175 2.025587 
1 1 1   11   28    9 o   70.514   0.6801  4825.58   93.049  4736.33  129.402  4921.14  133.895   69.839   0.9545   71.188   0.9689 -1.348961 1.360104 
1 1 1   11   28   10 o   71.160   0.6938  4917.58   95.830  4980.03  135.922  4855.85  135.131   71.610   0.9778   70.711   0.9845 0.8987350 1.387543 
1 1 1   11   28   11 f   30.922   0.8300  929.037   49.798  893.223   70.264  965.180   70.587   30.323   1.1937   31.521   1.1536 -1.198654 1.660037 
1 1 1   11   28   12 o   56.900   0.6806  3140.89   75.126  3043.17  104.085  3247.17  108.545   55.977   0.9579   57.823   0.9670 -1.845406 1.361142 
1 1 1   11   28   13 o   44.549   0.7015  1929.37   60.558  1896.63   87.895  1958.95   83.555   44.188   1.0247   44.910   0.9584 -0.7222633 1.403060 
1 1 1   11   28   14 o   83.859   0.7920  6832.67  128.919  6903.15  182.691  6762.75  181.950   84.290   1.1165   83.428   1.1235 0.8621140 1.583964 
1 1 1   11   28   15 o   37.757   0.7989  1386.57   58.444  1362.07   84.862  1408.68   80.607   37.438   1.1677   38.076   1.0906 -0.6381683 1.597794 
1 1 1   11   28   16 o   62.309   0.7456  3772.96   90.180  3754.23  127.317  3791.81  127.750   62.154   1.0552   62.465   1.0536 -0.3103714 1.491156 
1 1 1   11   28   17 o   47.112   0.7446  2153.72   67.949  2206.48   99.862  2108.23   92.723   47.647   1.0797   46.577   1.0255 1.069675 1.489115 
1 1 1   11   28   18 o   31.040   0.9800  932.831   58.830  992.223   87.917  884.674   79.165   31.928   1.4185   30.152   1.3526 1.776079 1.960022 
1 1 1   11   28   19 o   53.877   0.7779  2818.28   81.236  2926.59  118.865  2723.36  111.279   54.844   1.1165   52.910   1.0835 1.934719 1.555782 
1 1 1   11   28   20 o   32.167   1.2287  1023.54   73.707  1056.96   93.067  967.315  120.721   32.915   1.4566   31.420   1.9793 1.495087 2.457500 
1 1 1   11   28   21 o   26.731   1.1767  696.041   60.909  757.017   89.908  644.319   82.805   27.808   1.6656   25.655   1.6627 2.152859 2.353493 
1 1 1   11   28   22 o   60.913   0.7995  3619.82   94.430  3617.71  136.850  3621.74  130.467   60.889   1.1578   60.938   1.1029 -0.4888916E-01 1.599065 
1 1 1   11   28   23 o   18.226   1.6403  321.583   57.071  394.388   91.308  274.903   73.113   19.855   2.3690   16.597   2.2693 3.257990 3.280532 
1 1 1   11   28   24 o   32.089   1.0542  1026.93   64.462  930.497   98.232  1099.87   85.429   30.699   1.6484   33.480   1.3145 -2.780762 2.108346 
1 1 1   11   28   25 o   39.461   0.9538  1531.56   72.597  1551.37  109.279  1515.92   97.126   39.658   1.4195   39.264   1.2743 0.3947411 1.907591 
1 1 1   11   28   26 o   13.170   2.3374  199.934   62.646  117.166   93.759  266.682   84.199   10.566   3.7016   15.774   2.8550 -5.207422 4.674720 
1 1 1   11   28   27 o   15.805   2.6133  292.399   78.363  303.457  104.136  277.962  118.988   16.366   3.3894   15.243   3.9787 1.122561 5.226693 
1 1 1   11   29    0 o   44.432   0.5627  1916.25   48.523  1905.30   67.797  1927.74   69.478   44.302   0.7884   44.562   0.8032 -0.2599602 1.125446 
1 1 1   11   29    1 o   48.769   0.6537  2287.42   59.816  2227.23   75.015  2392.52   99.124   47.898   0.8068   49.640   1.0287 -1.742050 1.307326 
1 1 1   11   29    2 o  100.692   0.8204  9845.90  160.341  9966.83  226.711  9724.87  226.800  101.311   1.1528  100.073   1.1675 1.237938 1.640741 
1 1 1   11   29    3 o  115.521   0.8984 12959.61  201.432 12882.38  282.274 13039.74  287.534  115.171   1.2626  115.872   1.2783 -0.7003632 1.796741 
1 1 1   11   29    4 o   73.516   0.9111  5249.14  130.021  5271.68  184.744  5227.03  183.023   73.673   1.2918   73.360   1.2852 0.3124161 1.822249 
1 1 1   11   29    5 o  122.984   0.9272 14691.05  221.362 14725.47  312.908 14656.57  313.200  123.128   1.3092  122.840   1.3135 0.2887268 1.854481 
1 1 1   11   29    6 o   29.872   0.7592  866.365   44.019  844.411   61.808  888.960   62.705   29.488   1.0798   30.256   1.0677 -0.7680302 1.518496 
1 1 1   11   29    7 o  117.083   0.9142 13316.02  207.780 13342.13  294.984 13290.31  292.719  117.197   1.2966  116.970   1.2892 0.2272644 1.828452 
1 1 1   11   29    8 o  138.214   1.0235 18560.68  274.576 18546.87  385.593 18574.87  391.084  138.163   1.4377  138.265   1.4571 -0.1022949 2.046992 
1 1 1   11   29    9 o  106.678   0.8935 11056.83  185.006 11140.01  260.606 10972.32  262.684  107.084   1.2537  106.273   1.2733 0.8105545 1.786945 
1 1 1   11   29   10 o   23.337   1.0409  529.129   47.095  565.792   67.344  494.037   65.886   24.129   1.4378   22.546   1.5054 1.583254 2.081744 
1 1 1   11   29   11 o   92.861   0.8464  8377.39  152.579  8390.85  215.823  8363.93  215.737   92.936   1.1963   92.787   1.1978 0.1492920 1.692879 
1 1 1   11   29   12 o   75.747   0.7504  5573.09  110.336  5547.02  155.122  5599.77  156.970   75.568   1.0575   75.926   1.0650 -0.3580093 1.500839 
1 1 1   11   29   13 o   56.238   0.6914  3066.83   75.368  3160.50  110.263  2984.69  103.254   57.042   0.9958   55.434   0.9595 1.607689 1.382880 
1 1 1   11   29   14 o   30.926   0.9285  932.067   55.582  969.736   76.816  890.671   80.526   31.586   1.2528   30.267   1.3706 1.319349 1.856905 
1 1 1   11   29   15 o   70.231   0.7534  4789.90  102.600  4850.46  148.957  4735.23  141.525   70.652   1.0861   69.811   1.0443 0.8412094 1.506749 
1 1 1   11   29   16 o   69.475   0.7679  4689.75  103.546  4772.97  147.820  4609.58  145.091   70.080   1.0866   68.870   1.0853 1.209785 1.535774 
1 1 1   11   29   17 o   34.604   0.8779  1166.52   58.808  1133.85   85.751  1195.54   80.804   34.143   1.2938   35.065   1.1871 -0.9224167 1.755898 
1 1 1   11   29   18 o   26.120   1.1619  680.958   57.392  573.633   87.179  763.047   76.244   24.245   1.8524   27.995   1.4030 -3.750135 2.323717 
1 1 1   11   29   19 o   78.608   0.8226  6015.04  125.508  5986.63  178.492  6042.83  176.515   78.423   1.1725   78.794   1.1541 -0.3708496 1.645166 
1 1 1   11   29   20 o   84.000   0.8545  6871.39  139.284  7016.95  200.188  6734.80  193.916   84.860   1.2153   83.140   1.2015 1.719971 1.708962 
1 1 1   11   29   21 o   63.079   0.7870  3877.81   96.265  3876.48  139.296  3879.02  133.187   63.063   1.1379   63.095   1.0874 -0.3227234E-01 1.573938 
1 1 1   11   29   22 o   65.051   0.7969  4130.57  100.582  4132.80  144.348  4128.46  140.230   65.063   1.1429   65.039   1.1107 0.2361298E-01 1.593706 
1 1 1   11   29   23 o   19.554   1.5709  389.975   58.090  337.096   88.880  429.406   76.751   18.298   2.5023   20.811   1.8999 -2.513147 3.141820 
1 1 1   11   29   24 o   41.941   0.8648  1729.20   69.692  1691.69  105.758  1757.98   92.656   41.506   1.3126   42.376   1.1264 -0.8701553 1.729635 
1 1 1   11   29   25 o   40.252   0.9334  1591.09   72.696  1653.06  107.971  1539.70   98.322   40.949   1.3583   39.554   1.2805 1.394909 1.866747 
1 1 1   11   29   26 o   9.6187   2.5631   83.019   70.719 -28.0521  126.581  133.421   85.268   8.2384   3.7203   10.999   3.5266 -2.760532 5.126158 
1 1 1   11   30    0 o  133.247   1.1069 17184.57  278.338 16980.17  353.289 17519.05  451.942  132.220   1.3765  134.274   1.7339 -2.053406 2.213850 
1 1 1   11   30    1 o   90.123   0.8688  7929.09  147.382  8061.07  187.650  7716.60  238.104   91.114   1.0610   89.132   1.3762 1.981445 1.737656 
1 1 1   11   30    2 o   44.342   0.6000  1908.97   51.634  1909.52   73.861  1908.44   72.211   44.348   0.8580   44.336   0.8390 0.1216888E-01 1.200035 
1 1 1   11   30    3 o  105.169   0.8472 10741.73  172.944 10830.78  244.713 10652.88  244.445  105.604   1.1937  104.733   1.2024 0.8713379 1.694309 
1 1 1   11   30    4 o   33.550   0.9178  1050.17   53.802  998.607   62.810  1192.27  104.268   32.069   1.0090   35.031   1.5333 -2.961861 1.835518 
1 1 1   11   30    5 o   87.664   0.7570  7462.68  128.824  7420.55  181.775  7505.20  182.598   87.415   1.0712   87.912   1.0700 -0.4971848 1.514077 
1 1 1   11   30    6 o  127.036   0.9738 15677.22  240.124 15565.14  338.015 15791.41  341.179  126.578   1.3757  127.494   1.3786 -0.9164505 1.947535 
1 1 1   11   30    7 o   33.332   0.7101  1081.38   45.802  1042.75   66.777  1115.69   62.941   32.768   1.0498   33.897   0.9566 -1.128235 1.420242 
1 1 1   11   30    8 o   5.4749   1.7544 -40.0189   40.800 -65.3897   56.054 -11.4341   59.499   4.8202   2.2776   6.1296   2.6692 -1.309424 3.508853 
1 1 1   11   30    9 o   53.086   0.6541  2733.70   67.356  2661.86   93.106  2812.57   97.563   52.356   0.9161   53.817   0.9339 -1.461193 1.308215 
1 1 1   11   30   10 o  137.652   1.0641 18416.83  284.337 18371.78  400.111 18462.80  404.145  137.483   1.4992  137.822   1.5106 -0.3386383 2.128293 
1 1 1   11   30   11 o   94.423   0.8324  8656.12  152.506  8471.68  212.012  8853.89  219.537   93.382   1.1696   95.465   1.1847 -2.082169 1.664749 
1 1 1   11   30   12 o   8.9738   2.1697   70.245   46.507   44.087   66.800   94.852   64.788   8.0710   3.0748   9.8766   3.0619 -1.805564 4.339340 
1 1 1   11   30   13 o   32.033   0.8290  995.906   51.382  1011.37   76.045  982.917   69.700   32.260   1.2143   31.806   1.1289 0.4543056 1.658028 
1 1 1   11   30   14 o   48.521   0.7413  2285.69   69.777  2173.50   97.373  2404.10  100.039   47.297   1.0606   49.744   1.0360 -2.447014 1.482600 
1 1 1   11   30   15 o   45.023   0.7506  1967.37   65.433  2004.46   96.428  1935.71   89.079   45.414   1.0938   44.632   1.0282 0.7821236 1.501193 
1 1 1   11   30   16 o   64.072   0.7498  3982.31   93.166  4199.35  135.041  3785.17  128.702   65.735   1.0583   62.408   1.0624 3.326130 1.499536 
1 1 1   11   30   17 o   42.702   0.8007  1776.75   66.186  1710.31   96.167  1836.55   91.231   41.938   1.1813   43.465   1.0813 -1.526814 1.601420 
1 1 1   11   30   18 o   60.229   0.7528  3525.43   87.859  3571.35  128.499  3485.12  120.399   60.594   1.0925   59.865   1.0361 0.7294998 1.505623 
1 1 1   11   30   19 o   48.468   0.7989  2282.63   75.070  2366.52  109.504  2208.25  103.115   49.305   1.1441   47.632   1.1152 1.673782 1.597722 
1 1 1   11   30   20 o   24.278   1.2765  576.683   60.111  606.653   86.839  549.111   83.292   24.884   1.7978   23.672   1.8126 1.211340 2.552913 
1 1 1   11   30   21 o   50.509   0.8110  2488.95   79.476  2441.38  113.591  2534.56  111.238   50.032   1.1696   50.987   1.1239 -0.9553604 1.622075 
1 1 1   11   30   22 o   44.958   0.8567  1975.19   74.468  1985.64  110.451  1966.48  100.833   45.053   1.2629   44.863   1.1578 0.1898804 1.713356 
1 1 1   11   30   23 o   21.629   1.4357  465.627   59.796  466.523   90.435  464.931   79.706   21.613   2.1555   21.645   1.8970 -0.3188515E-01 2.871403 
1 1 1   11   30   24 o   29.430   1.1455  867.519   64.239  790.484   98.058  925.437   85.025   28.209   1.7907   30.650   1.4290 -2.440941 2.291024 
1 1 1   11   30   25 o   13.014   2.3999  191.551   62.718  139.005   93.449  234.619   84.602   11.309   3.6973   14.719   3.0608 -3.410233 4.799825 
1 1 1   11   30   26 o   30.110   1.2169  916.477   70.279  841.647  104.987  977.233   94.601   28.900   1.8714   31.320   1.5560 -2.419498 2.433801 
1 1 1   11   31    0 o  147.635   1.2280 21223.73  336.406 21326.30  418.799 21037.18  564.797  148.166   1.4561  147.103   1.9779 1.062576 2.456078 
1 1 1   11   31    1 o   57.477   0.6058  3206.29   67.582  3145.93   94.441  3269.65   96.752   56.923   0.8547   58.032   0.8589 -1.108429 1.211669 
1 1 1   11   31    2 o   21.453   0.9003  446.561   37.454  418.771   52.156  476.151   53.818   20.764   1.2940   22.142   1.2521 -1.377405 1.800620 
1 1 1   11   31    3 o   72.469   0.6714  5099.20   94.447  5129.70  133.963  5069.06  133.178   72.685   0.9495   72.254   0.9495 0.4309311 1.342787 
1 1 1   11   31    4 o  141.692   1.0181 19506.96  279.992 19708.34  394.659 19302.89  397.292  142.430   1.4274  140.955   1.4520 1.475037 2.036137 
1 1 1   11   31    5 o  114.289   0.8885 12687.66  197.100 12953.67  279.492 12424.48  277.996  115.482   1.2468  113.097   1.2663 2.384819 1.777044 
1 1 1   11   31    6 o  123.084   0.9511 14717.36  227.158 14726.56  317.155 14707.68  325.506  123.124   1.3270  123.043   1.3628 0.8189392E-01 1.902139 
1 1 1   11   31    7 o   78.100   0.7124  5923.44  108.010  5896.77  152.549  5950.25  152.951   77.923   1.0085   78.276   1.0066 -0.3526001 1.424899 
1 1 1   11   31    8 o   69.490   0.6837  4689.62   92.224  4761.12  130.589  4618.47  130.262   70.019   0.9608   68.962   0.9731 1.057411 1.367471 
1 1 1   11   31    9 o  165.408   1.1833 26573.50  379.151 27023.49  556.238 26182.97  518.182  166.707   1.7189  164.110   1.6266 2.597275 2.366507 
1 1 1   11   31   10 o   70.235   0.7071  4788.37   96.364  4989.41  137.955  4596.82  134.663   71.675   0.9915   68.796   1.0084 2.878395 1.414191 
1 1 1   11   31   11 o   25.907   1.0270  651.844   51.576  605.510   71.855  701.083   74.073   24.957   1.4832   26.857   1.4208 -1.899256 2.053920 
1 1 1   11   31   12 o   66.546   0.9740  4303.97  125.811  4367.58  178.981  4241.84  176.884   67.032   1.3755   66.059   1.3794 0.9722443 1.948014 
1 1 1   11   31   13 o   35.618   0.9566  1247.23   63.768  1288.44   80.896  1179.60  103.634   36.413   1.1445   34.824   1.5331 1.588646 1.913143 
1 1 1   11   31   14 o   89.600   0.8574  7802.37  149.056  7779.52  207.665  7826.64  214.074   89.466   1.1957   89.733   1.2290 -0.2670135 1.714702 
1 1 1   11   31   15 o   69.827   0.7568  4735.98  102.522  4810.23  147.898  4667.30  142.242   70.353   1.0830   69.302   1.0574 1.050972 1.513546 
1 1 1   11   31   16 o   59.845   0.7546  3481.24   87.642  3471.24  125.372  3490.79  122.565   59.760   1.0807   59.930   1.0536 -0.1702042 1.509296 
1 1 1   11   31   17 o   10.757   2.1738  111.071   54.162   22.154   79.438  188.317   74.041   7.9218   3.2437   13.593   2.8948 -5.670856 4.347612 
1 1 1   11   31   18 o   41.845   0.8095  1697.72   65.571  1785.50   97.198  1624.40   88.829   42.831   1.1690   40.858   1.1200 1.973335 1.618958 
1 1 1   11   31   19 o   44.318   0.8179  1912.05   70.340  1974.94  100.343  1851.28   98.631   45.035   1.1478   43.600   1.1654 1.434933 1.635701 
1 1 1   11   31   20 o   33.199   0.9934  1071.70   63.871  1171.36   93.739  985.338   87.264   34.635   1.3943   31.763   1.4153 2.871840 1.986714 
1 1 1   11   31   21 o   29.309   1.0923  842.190   62.101  812.036   88.279  871.729   87.375   28.783   1.5800   29.835   1.5087 -1.052057 2.184623 
1 1 1   11   31   22 o   37.172   0.9234  1354.87   66.491  1327.16   96.597  1379.81   91.663   36.798   1.3523   37.545   1.2577 -0.7475166 1.846756 
1 1 1   11   31   23 o   45.263   0.8443  2005.76   73.944  2013.17  109.080  1999.45  100.582   45.325   1.2398   45.202   1.1463 0.1233253 1.688508 
1 1 1   11   31   24 o   31.943   1.0483  1008.49   63.920  1001.30   99.658  1013.52   83.315   31.796   1.6146   32.090   1.3375 -0.2943058 2.096631 
1 1 1   11   31   25 o   15.726   2.0203  254.695   59.551  337.770   92.215  195.265   77.995   18.079   2.6276   13.373   3.0695 4.705763 4.040553 
1 1 1   11   31   26 o   44.669   0.9440  1967.84   81.303  2054.83  123.337  1900.99  108.119   45.495   1.3966   43.843   1.2704 1.651585 1.887938 
1 1 1   11   32    0 o  152.577   1.2969 22731.48  366.165 22976.09  455.090 22282.41  616.629  153.781   1.5245  151.374   2.0985 2.407181 2.593804 
1 1 1   11   32    1 o  118.446   1.0921 13613.60  236.712 13578.84  289.704 13683.41  410.585  118.239   1.2622  118.652   1.7826 -0.4129715 2.184249 
1 1 1   11   32    2 o  101.195   0.8344  9942.12  163.881 10206.63  234.122  9688.02  229.472  102.515   1.1765   99.876   1.1836 2.638756 1.668849 
1 1 1   11   32    3 o   66.314   0.6476  4268.49   83.340  4216.00  116.131  4324.23  119.671   65.894   0.9079   66.734   0.9238 -0.8400040 1.295246 
1 1 1   11   32    4 o   71.936   0.6728  5024.81   93.944  5102.86  133.096  4947.31  132.619   72.493   0.9458   71.379   0.9571 1.113792 1.345607 
1 1 1   11   32    5 o   71.619   0.6778  4979.10   94.198  4923.21  131.167  5038.64  135.363   71.205   0.9490   72.034   0.9680 -0.8292313 1.355599 
1 1 1   11   32    6 o   56.494   0.6395  3099.21   70.132  3085.58   99.445  3112.70   98.919   56.370   0.9088   56.618   0.9000 -0.2474098 1.279055 
1 1 1   11   32    7 o   18.450   1.1871  333.490   42.186  366.042   58.255  297.597   61.171   19.406   1.5465   17.493   1.8014 1.912636 2.374143 
1 1 1   11   32    8 o   47.646   0.7840  2194.76   69.568  2241.47  116.714  2169.02   86.642   48.033   1.2518   47.260   0.9444 0.7728004 1.568067 
1 1 1   11   32    9 o   10.977   2.0365  118.247   45.465   73.247   61.941  170.810   66.944   8.9611   3.0129   12.992   2.7407 -4.030920 4.072912 
1 1 1   11   32   10 o   20.013   1.2696  398.837   47.539  277.064   67.152  521.185   67.310   16.871   2.0505   23.155   1.4975 -6.283884 2.539115 
1 1 1   11   32   11 o  128.169   1.0279 15969.50  255.734 15952.32  360.828 15986.84  362.503  128.100   1.4511  128.238   1.4562 -0.1378174 2.055773 
1 1 1   11   32   12 f  120.454   0.9881 14104.92  231.030 14302.95  328.349 13910.76  325.126  121.291   1.3946  119.616   1.4002 1.675293 1.976221 
1 1 1   11   32   13 o  102.608   0.8910 10230.07  177.427 10039.27  248.014 10430.08  253.929  101.629   1.2572  103.587   1.2628 -1.958534 1.781905 
1 1 1   11   32   14 o   92.012   0.8849  8227.61  158.018  8061.99  220.430  8402.69  226.643   91.060   1.2470   92.964   1.2559 -1.903091 1.769866 
1 1 1   11   32   15 o   34.184   0.8987  1142.45   59.057  1086.95   88.710  1186.63   79.144   33.429   1.3670   34.939   1.1669 -1.509357 1.797371 
1 1 1   11   32   16 o   64.209   0.7606  4004.10   94.751  4125.56  136.564  3891.37  131.573   65.146   1.0799   63.271   1.0713 1.875229 1.521105 
1 1 1   11   32   17 o   63.215   0.7476  3885.51   91.714  3903.44  131.533  3868.54  127.948   63.355   1.0695   63.074   1.0450 0.2811050 1.495288 
1 1 1   11   32   18 o   34.760   0.9117  1177.68   61.420  1162.21   89.058  1191.71   84.818   34.538   1.3283   34.981   1.2491 -0.4432068 1.823374 
1 1 1   11   32   19 o   6.6830   2.1065 -41.3931   57.075 -87.0051   79.761   6.4721   81.707   5.7810   2.7271   7.5849   3.2113 -1.803958 4.212988 
1 1 1   11   32   20 o   37.188   0.9024  1352.31   64.969  1304.85   94.392  1395.04   89.558   36.558   1.3301   37.818   1.2199 -1.259953 1.804838 
1 1 1   11   32   21 o   25.883   1.1970  657.984   60.100  675.561   86.973  641.921   83.143   26.210   1.7094   25.556   1.6760 0.6544971 2.393949 
1 1 1   11   32   22 o   20.839   1.5003  433.249   60.524  424.751   88.416  440.743   83.026   20.624   2.2084   21.055   2.0315 -0.4300938 3.000656 
1 1 1   11   32   23 o   33.126   1.0298  1065.58   65.749  1251.24   99.459  921.459   87.628   35.660   1.4368   30.591   1.4756 5.069502 2.059587 
1 1 1   11   32   24 o   12.293   2.1930  170.442   60.059   52.756   93.347  253.569   78.453   8.8506   3.5554   15.736   2.5683 -6.885443 4.386008 
1 1 1   11   32   25 o   22.581   1.4055  513.591   59.925  517.633   96.638  511.065   76.384   22.554   2.2073   22.609   1.7404 -0.5486107E-01 2.810922 
1 1 1   11   32   26 o   13.732   2.4639  222.949   66.688  173.255  101.948  260.116   88.167   12.153   3.8518   15.310   3.0734 -3.156672 4.927701 
1 1 1   11   33    0 o   55.381   0.7913  2922.65   75.113  2861.79   87.197  3097.70  147.891   54.291   0.8274   56.470   1.3492 -2.178299 1.582649 
1 1 1   11   33    1 o   90.694   0.9557  7986.68  157.055  7979.90  190.508  8001.05  277.475   90.648   1.0827   90.740   1.5753 -0.9144592E-01 1.911468 
1 1 1   11   33    2 o   76.632   0.8562  5716.52  119.550  5740.76  145.955  5667.10  208.393   76.889   0.9779   76.375   1.4056 0.5139694 1.712314 
1 1 1   11   33    3 o  114.420   0.9245 12707.65  205.187 12964.75  296.875 12472.51  283.914  115.526   1.3238  113.314   1.2907 2.211937 1.848925 
1 1 1   11   33    4 o   69.137   0.6773  4639.89   90.883  4568.31  126.937  4715.18  130.180   68.590   0.9534   69.684   0.9624 -1.093575 1.354658 
1 1 1   11   33    5 o   66.718   0.6712  4322.65   86.913  4438.41  123.295  4208.30  122.537   67.606   0.9395   65.830   0.9589 1.776497 1.342442 
1 1 1   11   33    6 o   60.683   0.6404  3577.13   75.408  3654.70  106.123  3498.02  107.171   61.349   0.8911   60.018   0.9199 1.330437 1.280733 
1 1 1   11   33    7 o   65.279   0.6624  4137.51   83.930  4082.58  117.747  4194.25  119.666   64.838   0.9355   65.719   0.9380 -0.8806763 1.324798 
1 1 1   11   33    8 o   49.580   0.6579  2387.76   63.303  2412.03   88.709  2362.58   90.362   49.838   0.9169   49.323   0.9438 0.5142860 1.315866 
1 1 1   11   33    9 o   56.675   0.6713  3119.50   73.856  3152.95  104.595  3086.22  104.303   56.978   0.9457   56.372   0.9532 0.6064682 1.342688 
1 1 1   11   33   10 o  130.563   1.0383 16571.02  263.148 16686.91  373.583 16456.90  370.727  131.016   1.4689  130.110   1.4678 0.9059448 2.076598 
1 1 1   11   33   11 o   86.857   0.8115  7329.29  136.815  7184.34  192.543  7477.11  194.443   85.989   1.1535   87.724   1.1418 -1.735481 1.623079 
1 1 1   11   33   12 o   34.514   0.8555  1147.85   57.048  1311.60   84.971  1013.47   76.976   36.736   1.1915   32.291   1.2280 4.445278 1.711094 
1 1 1   11   33   13 o  134.962   1.1956 17728.21  313.223 17794.04  444.231 17663.13  441.707  135.211   1.6925  134.713   1.6891 0.4975128 2.391177 
1 1 1   11   33   14 o  113.077   1.0308 12439.65  226.260 12415.05  319.012 12464.55  320.958  112.965   1.4548  113.189   1.4608 -0.2238617 2.061605 
1 1 1   11   33   15 o   30.172   0.9691  884.958   56.667  897.113   82.743  874.221   77.767   30.366   1.4037   29.979   1.3363 0.3865376 1.938102 
1 1 1   11   33   16 o   9.8260   2.3462   82.776   55.978  130.743   78.903   34.169   79.429   11.411   3.3454   8.2407   3.2905 3.170547 4.692425 
1 1 1   11   33   17 o   20.935   1.3538  426.239   54.875  461.949   81.163  396.171   74.478   21.738   1.9234   20.132   1.9058 1.605761 2.707666 
1 1 1   11   33   18 o   37.517   0.8708  1370.89   63.411  1378.31   90.597  1363.77   88.784   37.616   1.2407   37.419   1.2223 0.1969032 1.741690 
1 1 1   11   33   19 o   58.869   0.7602  3375.31   86.866  3426.53  123.103  3324.51  122.593   59.315   1.0692   58.423   1.0810 0.8918724 1.520389 
1 1 1   11   33   20 o   13.280   2.1871  182.881   56.449  248.798   81.877  123.166   77.931   15.567   2.8130   10.992   3.3497 4.575754 4.374149 
1 1 1   11   33   21 o   21.624   1.4051  468.368   58.147  388.287   83.570  543.519   80.956   19.769   2.1778   23.480   1.7762 -3.711277 2.810250 
1 1 1   11   33   22 o   29.437   1.0789  849.868   61.492  899.951   91.007  807.792   83.415   30.225   1.5511   28.649   1.4999 1.575605 2.157730 
1 1 1   11   33   23 o   13.761   2.3045  203.370   60.213  218.667   91.560  191.712   79.928   14.179   3.3752   13.343   3.1385 0.8361292 4.608906 
1 1 1   11   33   24 o   15.744   2.1093  274.524   61.359  199.198   92.425  333.886   82.049   13.370   3.5148   18.117   2.3330 -4.747467 4.218573 
1 1 1   11   33   25 o   26.624   1.2789  717.193   65.231  673.707   98.680  750.945   86.935   25.819   1.9689   27.429   1.6327 -1.609974 2.557769 
1 1 1   11   34    0 o   59.376   0.7972  3442.27   84.654  3471.52  101.810  3376.76  152.384   59.794   0.8771   58.958   1.3315 0.8362274 1.594416 
1 1 1   11   34    1 o   50.727   0.8277  2526.33   72.820  2560.52   85.848  2438.61  137.498   51.353   0.8612   50.100   1.4138 1.252861 1.655444 
1 1 1   11   34    2 o   75.989   0.8774  5674.35  121.470  5804.77  149.020  5416.10  209.689   77.316   0.9929   74.662   1.4468 2.653870 1.754746 
1 1 1   11   34    3 o   42.290   0.8830  1767.18   64.009  1802.46   75.072  1673.23  122.503   43.085   0.8976   41.495   1.5208 1.589714 1.765981 
1 1 1   11   34    4 o   70.073   0.6644  4766.94   90.356  4870.52  128.925  4666.95  126.670   70.820   0.9378   69.325   0.9413 1.495880 1.328722 
1 1 1   11   34    5 o   68.272   0.6682  4526.11   88.496  4518.46  122.806  4534.37  127.638   68.213   0.9274   68.331   0.9623 -0.1186676 1.336457 
1 1 1   11   34    6 o   75.183   0.7067  5489.21  103.131  5407.74  145.207  5572.15  146.499   74.620   1.0025   75.746   0.9963 -1.126129 1.413372 
1 1 1   11   34    7 o   25.953   0.9148  654.026   46.006  661.479   67.296  647.488   63.036   26.091   1.3287   25.815   1.2579 0.2758961 1.829692 
1 1 1   11   34    8 o   73.689   0.7159  5273.62  102.377  5254.40  143.082  5293.79  146.546   73.552   1.0021   73.827   1.0226 -0.2741928 1.431757 
1 1 1   11   34    9 o  100.083   0.8938  9733.13  173.639  9719.85  244.732  9746.59  246.402  100.014   1.2606  100.151   1.2674 -0.1368561 1.787559 
1 1 1   11   34   10 o   64.097   0.7075  3990.88   88.029  3947.91  124.590  4033.71  124.394   63.752   1.0068   64.442   0.9944 -0.6896820 1.415067 
1 1 1   11   34   11 o   65.347   0.7160  4146.84   90.775  4100.75  126.012  4196.55  130.875   64.971   0.9991   65.724   1.0258 -0.7528610 1.431993 
1 1 1   11   34   12 o  137.297   1.0974 18336.20  292.472 18173.74  412.336 18500.70  414.911  136.685   1.5541  137.910   1.5499 -1.224869 2.194805 
1 1 1   11   34   13 o   68.860   0.7284  4607.23   97.357  4637.06  138.855  4578.39  136.541   69.078   1.0355   68.641   1.0247 0.4375534 1.456838 
1 1 1   11   34   14 o   51.323   0.7656  2550.70   76.126  2770.91  111.351  2357.46  104.311   53.396   1.0743   49.250   1.0911 4.145443 1.531191 
1 1 1   11   34   15 f   61.849   0.7530  3721.15   90.332  3594.73  128.693  3843.92  126.826   60.810   1.0902   62.887   1.0389 -2.076881 1.505956 
1 1 1   11   34   16 o   35.095   0.9152  1198.71   62.233  1197.62   85.448  1199.93   90.818   35.081   1.2548   35.109   1.3326 -0.2791214E-01 1.830345 
1 1 1   11   34   17 o   33.274   0.8853  1078.18   57.181  1094.95   81.089  1061.60   80.645   33.532   1.2458   33.017   1.2583 0.5156860 1.770645 
1 1 1   11   34   18 o   10.329   2.6367   83.530   64.440  124.610  113.383   63.929   78.319   11.641   4.0710   9.0177   3.3521 2.623405 5.273499 
1 1 1   11   34   19 o   22.837   1.2983  513.881   57.095  591.205   81.076  437.810   80.416   24.566   1.7001   21.108   1.9626 3.458223 2.596577 
1 1 1   11   34   20 o   39.196   0.8597  1498.79   65.376  1557.51   94.168  1444.17   90.833   39.937   1.2147   38.456   1.2168 1.480972 1.719312 
1 1 1   11   34   21 o   21.383   1.3865  451.144   57.371  504.371   84.000  404.606   78.544   22.570   1.9173   20.197   2.0034 2.373333 2.773027 
1 1 1   11   34   22 o   23.070   1.3131  526.622   58.718  548.665   85.895  507.285   80.452   23.515   1.8817   22.624   1.8319 0.8912411 2.626131 
1 1 1   11   34   23 o   30.280   1.1137  908.402   65.333  884.239   94.640  930.401   90.302   29.874   1.6320   30.687   1.5159 -0.8128242 2.227436 
1 1 1   11   34   24 o   30.731   1.1347  936.824   67.525  963.179   99.532  914.350   91.911   31.111   1.6481   30.351   1.5600 0.7599068 2.269328 
1 1 1   11   34   25 f   14.569   2.2275  253.012   61.558  156.066   98.918  314.287   78.641   11.674   3.8033   17.463   2.3199 -5.789069 4.455010 
1 1 1   11   35    0 o   39.229   0.8814  1511.74   57.578  1528.12   66.365  1461.89  115.787   39.671   0.8618   38.786   1.5379 0.8854866 1.762865 
1 1 1   11   35    1 o   45.796   0.8163  2056.98   65.336  2083.56   77.390  1991.04  121.900   46.323   0.8606   45.269   1.3872 1.054615 1.632504 
1 1 1   11   35    2 o   71.036   0.8584  4936.88  109.042  4993.23  131.235  4811.21  195.967   71.707   0.9428   70.364   1.4347 1.342682 1.716763 
1 1 1   11   35    3 o  148.678   1.2741 21377.06  348.689 21124.71  428.432 21872.16  600.106  147.430   1.4970  149.925   2.0620 -2.495178 2.548126 
1 1 1   11   35    4 o   70.768   0.8571  4859.66  108.615  4850.83  130.416  4879.65  196.226   70.676   0.9506   70.861   1.4265 -0.1852722 1.714249 
1 1 1   11   35    5 o  103.114   0.8848 10326.43  177.053 10203.72  246.844 10456.46  254.096  102.484   1.2408  103.743   1.2617 -1.259789 1.769630 
1 1 1   11   35    6 o  173.404   1.2420 29242.22  418.048 29305.79  590.837 29178.48  591.583  173.593   1.7534  173.214   1.7594 0.3786316 2.483904 
1 1 1   11   35    7 o   41.978   0.6971  1708.34   56.729  1835.67   82.016  1591.56   78.550   43.475   0.9718   40.481   0.9996 2.994530 1.394160 
1 1 1   11   35    8 o   43.191   0.7017  1812.09   58.818  1851.91   83.168  1772.26   83.193   43.666   0.9812   42.716   1.0033 0.9499855 1.403331 
1 1 1   11   35    9 o   45.404   0.7033  2003.91   61.936  1943.73   88.415  2061.90   86.790   44.733   1.0182   46.074   0.9704 -1.341385 1.406549 
1 1 1   11   35   10 o   38.700   0.7581  1455.48   56.703  1459.45   76.763  1450.72   84.120   38.760   1.0202   38.640   1.1215 0.1196365 1.516134 
1 1 1   11   35   11 o   52.011   0.7049  2628.64   71.142  2657.07   99.704  2599.16  101.540   52.298   0.9821   51.724   1.0113 0.5744019 1.409702 
1 1 1   11   35   12 o   43.306   0.9645  1846.89   75.510  1889.18   91.990  1759.52  132.209   44.092   1.0748   42.520   1.6018 1.571323 1.928931 
1 1 1   11   35   13 o   25.559   1.3018  629.475   63.126  605.062   80.415  668.675  101.899   24.930   1.6617   26.189   2.0044 -1.259470 2.603630 
1 1 1   11   35   14 o   53.284   0.7549  2759.68   78.072  2765.88  109.600  2753.28  111.238   53.346   1.0584   53.223   1.0767 0.1229439 1.509791 
1 1 1   11   35   15 o   69.168   0.7602  4651.74  102.033  4635.40  146.047  4667.32  142.608   69.048   1.0896   69.289   1.0603 -0.2405014 1.520343 
1 1 1   11   35   16 o   64.507   0.7618  4047.68   95.394  3991.28  134.489  4104.78  135.330   64.055   1.0816   64.960   1.0732 -0.9055252 1.523698 
1 1 1   11   35   17 o   48.295   0.7615  2270.88   71.290  2250.36  103.323  2289.53   98.491   48.083   1.1070   48.507   1.0460 -0.4240303 1.522983 
1 1 1   11   35   18 o   60.693   0.7633  3584.79   89.901  3704.29  129.186  3472.58  125.186   61.674   1.0791   59.713   1.0800 1.960186 1.526685 
1 1 1   11   35   19 o   45.181   0.7927  1989.72   69.514  2039.22   98.836  1941.27   97.789   45.738   1.1132   44.623   1.1289 1.114735 1.585456 
1 1 1   11   35   20 o   27.167   1.3636  702.395   66.921  801.931  122.247  659.804   79.967   28.416   2.2162   25.918   1.5894 2.497332 2.727257 
1 1 1   11   35   21 o   13.582   2.1750  193.490   56.518  254.444   83.727  142.466   76.604   15.593   2.8720   11.571   3.2671 4.021239 4.349979 
1 1 1   11   35   22 o   11.134   2.4231  126.553   58.654  174.790   87.596   87.347   78.972   12.694   3.4601   9.5733   3.3933 3.120642 4.846279 
1 1 1   11   35   23 f   28.867   1.1467  831.378   63.858  760.526   92.761  895.201   88.040   27.649   1.7283   30.085   1.5075 -2.436222 2.293420 
1 1 1   11   35   24 o   43.743   0.9107  1878.39   77.042  1991.92  115.162  1786.42  103.653   44.916   1.3208   42.571   1.2543 2.344421 1.821493 
1 1 1   11   35   25 o   12.751   2.5161  184.498   64.927  231.284   98.049  147.961   86.646   14.126   3.5731   11.377   3.5433 2.749400 5.032112 
1 1 1   11   36    0 o   95.410   0.9903  8805.40  171.357  8733.82  207.671  8958.12  303.323   94.824   1.1282   95.995   1.6278 -1.170547 1.980529 
1 1 1   11   36    1 o   52.278   0.8021  2649.12   72.891  2642.23   85.698  2667.14  138.608   52.164   0.8463   52.392   1.3629 -0.2271729 1.604286 
1 1 1   11   36    2 o   75.712   0.8922  5446.94  118.728  5289.27  139.737  5856.28  225.149   73.800   0.9754   77.624   1.4942 -3.824715 1.784388 
1 1 1   11   36    3 o   44.834   0.8393  1924.25   67.253  1881.51   80.239  2025.17  123.302   44.017   0.9391   45.652   1.3914 -1.634789 1.678644 
1 1 1   11   36    4 o  146.002   1.4323 20670.10  377.852 20544.80  456.680 20942.04  672.782  145.371   1.6183  146.634   2.3636 -1.262802 2.864549 
1 1 1   11   36    5 o   15.170   1.8988  218.571   49.573  205.551   58.246  252.790   94.426   14.533   2.0647   15.807   3.1873 -1.274807 3.797596 
1 1 1   11   36    6 o   61.536   0.8439  3632.96   92.289  3566.93  109.738  3792.50  170.571   60.604   0.9328   62.468   1.4067 -1.863445 1.687837 
1 1 1   11   36    7 o   81.572   0.7655  6462.36  121.206  6560.82  172.988  6367.41  169.877   82.182   1.0844   80.962   1.0809 1.220207 1.531073 
1 1 1   11   36    8 f   27.391   0.9190  729.971   48.809  755.410   68.254  703.348   69.824   27.881   1.2611   26.901   1.3371 0.9799480 1.838009 
1 1 1   11   36    9 o   55.592   0.6904  3001.29   74.403  2988.85  102.427  3015.19  108.260   55.472   0.9512   55.713   1.0010 -0.2415237 1.380893 
1 1 1   11   36   10 o   83.827   0.8096  6826.67  131.714  6736.09  183.928  6922.02  188.706   83.257   1.1380   84.397   1.1518 -1.139992 1.619221 
1 1 1   11   36   11 o   33.427   0.8816  1087.90   56.969  1213.18   81.133  966.062   80.012   35.331   1.1830   31.523   1.3076 3.807728 1.763289 
1 1 1   11   36   12 o   72.175   0.7523  5063.67  105.374  4971.34  149.595  5154.60  148.455   71.521   1.0775   72.830   1.0501 -1.308731 1.504552 
1 1 1   11   36   13 o  100.601   0.9138  9842.03  178.456  9825.90  252.001  9858.27  252.751  100.518   1.2915  100.684   1.2932 -0.1651535 1.827659 
1 1 1   11   36   14 o   53.196   0.7696  2750.09   79.441  2646.25  111.386  2857.58  113.331   52.173   1.0998   54.218   1.0768 -2.045082 1.539185 
1 1 1   11   36   15 o   34.215   0.9136  1146.64   60.039  1083.88   90.323  1196.33   80.364   33.363   1.3947   35.067   1.1806 -1.704163 1.827261 
1 1 1   11   36   16 f   48.489   0.7708  2287.47   72.546  2244.76  101.945  2331.29  103.260   48.031   1.0934   48.948   1.0867 -0.9176826 1.541612 
1 1 1   11   36   17 o   36.028   0.8240  1260.03   57.525  1340.95   84.380  1189.75   78.630   37.104   1.1715   34.951   1.1589 2.153149 1.647915 
1 1 1   11   36   18 o   54.148   0.7543  2858.04   79.201  2709.40  112.040  3006.50  111.974   52.735   1.0945   55.562   1.0382 -2.826641 1.508548 
1 1 1   11   36   19 o   24.253   1.2472  579.798   57.947  465.372   80.597  702.241   83.372   21.742   1.9097   26.763   1.6048 -5.021589 2.494423 
1 1 1   11   36   20 o   20.382   1.5450  428.164   56.961  252.394   79.736  611.343   81.399   15.851   2.5914   24.914   1.6831 -9.063107 3.090029 
1 1 1   11   36   21 o   23.308   1.2744  539.886   57.432  507.725   83.307  569.017   79.284   22.619   1.8973   23.997   1.7020 -1.377850 2.548832 
1 1 1   11   36   22 o   21.680   1.4621  475.148   60.797  432.211   90.507  510.455   82.071   20.718   2.2505   22.643   1.8672 -1.925114 2.924239 
1 1 1   11   36   23 o   23.093   1.3570  534.546   60.791  535.261   87.609  533.882   84.422   23.095   1.9542   23.092   1.8833 0.2756119E-02 2.714005 
1 1 1   11   36   24 o   26.283   1.3077  692.502   66.448  720.935   99.261  669.413   89.446   26.738   1.9124   25.828   1.7841 0.9102345 2.615387 
1 1 1   11   37    0 o   48.694   0.8160  2276.71   69.566  2242.72   81.919  2364.61  131.738   48.058   0.8781   49.330   1.3757 -1.271744 1.632096 
1 1 1   11   37    1 o   47.103   0.9763  2170.22   87.827  2241.88  115.433  2071.71  135.340   48.038   1.2379   46.168   1.5102 1.869747 1.952675 
1 1 1   11   37    2 o  103.541   1.0840 10407.38  204.239 10382.57  248.630 10458.86  358.141  103.378   1.2390  103.704   1.7791 -0.3263779 2.167983 
1 1 1   11   37    3 o   87.917   0.9782  7538.94  155.917  7589.38  189.589  7433.55  274.058   88.393   1.1049   87.442   1.6146 0.9507980 1.956454 
1 1 1   11   37    4 o  122.092   1.2212 14372.95  269.031 14166.43  324.115 14830.45  482.405  120.737   1.3829  123.447   2.0131 -2.710541 2.442333 
1 1 1   11   37    5 o   68.442   0.8828  4473.43  105.988  4373.35  124.757  4733.01  200.921   67.105   0.9577   69.779   1.4833 -2.674164 1.765652 
1 1 1   11   37    6 o   98.656   1.0597  9500.15  190.722  9574.65  233.328  9350.15  331.073   99.269   1.2108   98.044   1.7396 1.225700 2.119478 
1 1 1   11   37    7 f  117.598   1.1996 13494.75  257.395 13578.54  314.831 13325.85  446.992  118.195   1.3722  117.001   1.9681 1.193436 2.399225 
1 1 1   11   37    8 o  100.889   0.8763  9869.55  171.422  9420.28  235.634 10374.64  249.843   98.456   1.2329  103.321   1.2457 -4.865562 1.752662 
1 1 1   11   37    9 o   96.164   0.8574  8988.04  160.049  9024.78  226.032  8951.10  226.655   96.362   1.2084   95.967   1.2167 0.3950882 1.714786 
1 1 1   11   37   10 o   81.644   0.7803  6475.16  123.639  6380.38  172.928  6574.28  176.841   81.033   1.0994   82.254   1.1075 -1.221375 1.560523 
1 1 1   11   37   11 o   65.863   0.7350  4214.46   93.959  4269.46  134.277  4161.69  131.521   66.283   1.0436   65.442   1.0353 0.8412628 1.470022 
1 1 1   11   37   12 o   60.948   0.7390  3605.83   87.387  3454.68  121.378  3768.49  125.914   59.624   1.0487   62.273   1.0416 -2.649628 1.478098 
1 1 1   11   37   13 o   47.225   0.7877  2158.66   71.928  2269.33  107.493  2068.94   96.789   48.314   1.1462   46.135   1.0808 2.178120 1.575348 
1 1 1   11   37   14 o  102.514   0.9613 10218.92  191.202 10542.58  275.639  9918.74  265.450  104.076   1.3644  100.951   1.3546 3.124214 1.922588 
1 1 1   11   37   15 o   49.361   0.7397  2369.40   70.814  2382.96  102.395  2356.97   98.040   49.495   1.0657   49.228   1.0259 0.2666931 1.479318 
1 1 1   11   37   16 o   65.572   0.7635  4181.79   97.146  4047.62  135.508  4323.67  139.344   64.490   1.0824   66.654   1.0770 -2.163757 1.526935 
1 1 1   11   37   17 o   26.789   1.0864  702.518   55.619  694.048   86.310  708.533   72.736   26.634   1.6694   26.944   1.3907 -0.3094082 2.172756 
1 1 1   11   37   18 o   36.912   0.8852  1329.30   63.345  1334.23   92.021  1324.87   87.330   36.972   1.2822   36.852   1.2208 0.1202507 1.770374 
1 1 1   11   37   19 o   48.749   0.7693  2316.51   72.758  2407.40  104.894  2232.23  101.006   49.670   1.0879   47.828   1.0879 1.841217 1.538545 
1 1 1   11   37   20 o   10.185   2.3688  104.766   54.244   99.960   77.962  109.277   75.522   10.035   3.3801   10.335   3.3195 -0.2997646 4.737503 
1 1 1   11   37   21 o   22.932   1.2753  521.474   56.707  511.699   81.632  530.590   78.833   22.711   1.8516   23.152   1.7541 -0.4411259 2.550558 
1 1 1   11   37   22 o   34.784   0.9731  1194.81   65.314  1166.12   97.164  1218.45   88.219   34.371   1.4563   35.197   1.2912 -0.8257446 1.946269 
1 1 1   11   37   23 o   39.619   0.9171  1548.39   70.329  1537.13  103.223  1558.15   96.082   39.460   1.3476   39.778   1.2443 -0.3182373 1.834217 
1 1 1   11   37   24 o   24.725   1.3785  621.389   65.268  606.311  100.025  632.569   86.132   24.371   2.1143   25.078   1.7693 -0.7079029 2.756955 
1 1 1   11   38    0 o   33.489   1.0120  1081.06   55.188  1073.69   62.705  1106.36  116.247   33.250   0.9715   33.728   1.7755 -0.4782791 2.023921 
1 1 1   11   38    1 o  154.976   1.4370 23476.75  409.454 23700.74  505.171 23047.80  699.080  156.126   1.6669  153.827   2.3412 2.299179 2.873918 
1 1 1   11   38    2 o   43.480   3.5025  1700.30   74.723  1695.05   75.292  2044.02  608.946   41.778   0.9284   45.181   6.9431 -3.403049 7.004921 
1 1 1   11   38    3 o   97.945   1.0553  9338.12  186.909  9361.19  226.531  9288.92  330.814   98.161   1.1888   97.728   1.7438 0.4333115 2.110499 
1 1 1   11   38    4 f  165.537   1.5021 26597.09  453.481 26437.61  552.766 26925.36  793.059  164.869   1.7272  166.205   2.4581 -1.336105 3.004209 
1 1 1   11   38    5 o  107.387   1.1225 11243.54  219.529 11301.39  267.975 11125.50  382.798  107.842   1.2801  106.931   1.8442 0.9112015 2.244903 
1 1 1   11   38    6 o   52.592   0.8856  2669.95   80.693  2648.47   94.555  2727.51  154.801   52.220   0.9328   52.965   1.5056 -0.7451019 1.771170 
1 1 1   11   38    7 o   82.857   0.9667  6622.87  143.454  6543.62  171.852  6805.01  260.529   82.069   1.0787   83.644   1.6046 -1.574181 1.933458 
1 1 1   11   38    8 o   50.076   0.9097  2467.40   80.991  2513.54   97.235  2362.86  146.360   50.866   0.9848   49.287   1.5298 1.579498 1.819328 
1 1 1   11   38    9 o   45.227   0.9228  1954.42   73.664  1908.52   87.060  2070.09  138.211   44.323   1.0119   46.132   1.5434 -1.809162 1.845526 
1 1 1   11   38   10 o   41.011   0.7626  1634.33   60.700  1671.85   86.241  1597.50   85.450   41.477   1.0711   40.544   1.0857 0.9335060 1.525160 
1 1 1   11   38   11 o   21.401   1.2613  446.514   52.230  401.861   73.258  492.676   74.486   20.309   1.8582   22.494   1.7059 -2.184761 2.522524 
1 1 1   11   38   12 o   40.605   0.8295  1602.70   65.376  1631.71   93.031  1574.40   91.892   40.968   1.1698   40.242   1.1764 0.7261581 1.659008 
1 1 1   11   38   13 f   74.329   0.7955  5372.87  114.748  5271.23  162.801  5473.21  161.762   73.629   1.1391   75.030   1.1107 -1.400726 1.590906 
1 1 1   11   38   14 o   45.845   0.9722  2059.03   81.852  2085.50  100.954  2008.26  139.834   46.303   1.1232   45.387   1.5871 0.9156609 1.944375 
1 1 1   11   38   15 o   10.959   2.2912  121.942   53.658   82.026   80.359  154.059   72.081   9.6781   3.4238   12.241   3.0458 -2.562576 4.582490 
1 1 1   11   38   16 o   20.138   1.4521  397.757   56.751  385.602   79.457  410.415   81.084   19.823   2.0649   20.453   2.0423 -0.6302776 2.904268 
1 1 1   11   38   17 o   14.356   1.9346  206.489   52.684  243.438   78.104  175.642   71.365   15.675   2.5668   13.037   2.8953 2.638029 3.869240 
1 1 1   11   38   18 o   25.665   1.1318  644.599   56.328  685.729   81.326  606.674   78.093   26.453   1.5838   24.876   1.6172 1.576578 2.263534 
1 1 1   11   38   19 o   15.880   1.8760  261.896   54.967  189.998   77.675  334.019   77.797   13.430   3.0491   18.329   2.1865 -4.899288 3.752023 
1 1 1   11   38   20 o   6.0417   1.9781 -57.8512   54.930 -49.4285   79.237 -65.6439   76.216   6.2464   2.8677   5.8370   2.7254 0.4093776 3.956175 
1 1 1   11   38   21 o   35.885   0.9185  1266.24   63.735  1247.76   93.935  1282.01   86.762   35.622   1.3585   36.148   1.2365 -0.5258026 1.836912 
1 1 1   11   38   22 o   31.066   1.0545  948.887   63.395  1049.51   93.780  864.211   86.029   32.577   1.4830   29.555   1.4995 3.021519 2.108952 
1 1 1   11   38   23 o   10.322   2.4451  113.503   60.241   65.486   91.368  150.428   80.123   9.0232   3.5523   11.621   3.3610 -2.597840 4.890292 
1 1 1   11   38   24 o   16.811   1.9282  297.008   62.574  319.900   94.682  279.257   83.377   17.337   2.8134   16.285   2.6375 1.051569 3.856405 
1 1 1   11   39    0 o  103.330   1.0940 10461.73  206.077 10623.36  252.450 10138.90  356.773  104.565   1.2437  102.095   1.8002 2.470284 2.188058 
1 1 1   11   39    1 o   23.541   1.3913  584.904   53.301  631.192   62.045  454.531  104.128   25.488   1.2541   21.595   2.4840 3.892843 2.782616 
1 1 1   11   39    2 o   40.513   0.9648  1598.32   65.182  1601.37   75.013  1588.91  131.708   40.606   0.9517   40.421   1.6786 0.1853638 1.929581 
1 1 1   11   39    3 o   40.659   0.9104  1591.53   62.947  1575.78   72.947  1637.45  124.562   40.280   0.9329   41.038   1.5636 -0.7573471 1.820804 
1 1 1   11   39    4 f  110.711   1.1715 11991.36  236.847 12132.04  290.349 11711.58  409.465  111.727   1.3387  109.696   1.9229 2.031219 2.343045 
1 1 1   11   39    5 o   10.647   2.5492   94.792   55.384   86.157   63.256  123.152  114.638   9.4975   3.0366   11.797   4.0953 -2.299840 5.098310 
1 1 1   11   39    6 o   81.376   0.9761  6392.50  141.333  6325.77  168.521  6550.73  259.492   80.691   1.0759   82.062   1.6290 -1.370346 1.952211 
1 1 1   11   39    7 o   47.715   0.9162  2218.96   77.614  2227.56   92.722  2198.82  141.863   47.885   0.9975   47.545   1.5371 0.3400803 1.832417 
1 1 1   11   39    8 o   41.477   0.9572  1639.07   70.797  1590.23   84.180  1757.10  130.861   40.456   1.0719   42.499   1.5862 -2.042866 1.914457 
1 1 1   11   39    9 o   45.929   0.9147  2060.65   75.090  2075.90   90.251  2026.36  135.357   46.222   1.0059   45.636   1.5280 0.5868225 1.829319 
1 1 1   11   39   10 o   64.975   0.9116  4152.86  107.357  4242.27  131.030  3970.28  187.252   66.074   1.0216   63.876   1.5102 2.197315 1.823245 
1 1 1   11   39   11 o   94.116   1.0682  8572.83  182.768  8485.75  221.890  8756.55  322.319   93.421   1.2236   94.812   1.7513 -1.391037 2.136387 
1 1 1   11   39   12 o   77.511   0.7957  5840.94  119.723  5814.09  169.088  5867.93  169.539   77.332   1.1264   77.690   1.1242 -0.3574982 1.591404 
1 1 1   11   39   13 o   40.913   0.8199  1630.35   65.008  1527.39   92.197  1732.15   91.675   39.624   1.1987   42.203   1.1190 -2.578743 1.639830 
1 1 1   11   39   14 o   60.834   0.7555  3600.97   89.191  3678.69  125.878  3522.60  126.393   61.495   1.0545   60.172   1.0821 1.322361 1.510914 
1 1 1   11   39   15 o   46.004   0.9666  2091.57   81.557  1974.50  138.454  2153.77  100.925   44.969   1.5861   47.038   1.1053 -2.068985 1.933216 
1 1 1   11   39   16 o   43.245   0.8252  1823.49   69.200  1923.03   97.946  1724.29   97.782   44.428   1.1357   42.061   1.1976 2.367252 1.650485 
1 1 1   11   39   17 o   52.255   0.7567  2656.21   76.445  2709.43  113.835  2612.50  103.168   52.723   1.1123   51.788   1.0263 0.9353333 1.513384 
1 1 1   11   39   18 o   21.491   1.3372  460.431   54.632  352.550   76.772  571.112   77.761   18.873   2.0955   24.108   1.6616 -5.234825 2.674323 
1 1 1   11   39   19 o   8.4911   2.3185   51.943   54.612   35.120   77.751   68.326   76.726   8.0212   3.2368   8.9610   3.3204 -0.9397640 4.637051 
1 1 1   11   39   20 o   13.043   2.2245  181.887   55.638  181.220   80.350  182.502   77.118   13.004   3.2038   13.081   3.0868 -0.7664394E-01 4.448913 
1 1 1   11   39   21 o   17.998   1.6519  325.404   57.466  369.877   85.100  288.127   77.912   19.135   2.2911   16.862   2.3803 2.272671 3.303766 
1 1 1   11   39   22 o   27.481   1.1700  752.548   61.826  742.096   93.688  760.611   82.288   27.264   1.7703   27.699   1.5304 -0.4355793 2.340080 
1 1 1   11   39   23 o   36.300   0.9738  1314.88   67.640  1244.13  103.120  1368.31   89.612   35.367   1.5021   37.234   1.2398 -1.866993 1.947657 
1 1 1   11   40    0 o   43.501   0.8727  1873.75   64.370  1912.31   75.061  1766.57  125.141   44.375   0.8714   42.628   1.5123 1.747890 1.745395 
1 1 1   11   40    1 o   43.378   0.9312  1811.83   67.838  1795.37   78.125  1862.28  136.774   42.995   0.9361   43.762   1.6101 -0.7663307 1.862401 
1 1 1   11   40    2 o   32.969   1.0362  1052.61   57.507  1048.55   66.390  1064.81  115.083   32.855   1.0410   33.082   1.7920 -0.2274818 2.072445 
1 1 1   11   40    3 o   19.002   1.5977  338.816   54.180  320.305   64.140  384.926  101.230   18.143   1.8212   19.862   2.6256 -1.718779 3.195375 
1 1 1   11   40    4 o   52.564   0.8951  2651.41   82.235  2608.75   96.714  2762.78  156.251   51.825   0.9614   53.303   1.5101 -1.478756 1.790136 
1 1 1   11   40    5 o   86.744   1.0089  7369.63  159.014  7470.61  194.117  7163.65  277.245   87.682   1.1405   85.806   1.6645 1.875793 2.017719 
1 1 1   11   40    6 o   30.752   1.1827  948.785   62.878  986.056   74.520  856.670  117.154   31.852   1.2052   29.652   2.0354 2.200460 2.365440 
1 1 1   11   40    7 o   28.804   1.1987  831.303   61.735  873.180   75.113  744.130  108.372   29.971   1.2911   27.637   2.0201 2.334007 2.397399 
1 1 1   11   40    8 o   82.320   0.9703  6576.86  144.856  6552.54  175.735  6628.40  255.854   82.112   1.1025   82.528   1.5971 -0.4158707 1.940663 
1 1 1   11   40    9 o   47.326   0.8911  2181.10   76.966  2187.55   94.083  2168.05  133.822   47.447   1.0215   47.206   1.4604 0.2407951 1.782184 
1 1 1   11   40   10 o   64.543   0.9185  4060.37  107.093  4076.50  129.724  4025.85  189.767   64.768   1.0318   64.318   1.5199 0.4498596 1.837067 
1 1 1   11   40   11 o   25.060   1.5471  626.538   68.570  646.922   82.347  580.438  123.836   25.772   1.6460   24.347   2.6202 1.424927 3.094276 
1 1 1   11   40   12 o   97.173   1.1038  9104.49  195.326  8932.27  237.031  9468.89  344.783   95.815   1.2744   98.532   1.8026 -2.716347 2.207613 
1 1 1   11   40   13 o   71.730   0.9550  5040.14  126.382  5106.36  156.659  4916.72  213.877   72.448   1.1139   71.012   1.5516 1.436424 1.910028 
1 1 1   11   40   14 o   71.862   0.9765  5048.43  128.145  5078.01  156.878  4989.11  222.145   72.231   1.1189   71.492   1.6007 0.7388840 1.952966 
1 1 1   11   40   15 o   13.104   2.1464  175.449   53.787  217.511   79.320  139.645   73.183   14.562   2.9080   11.646   3.1578 2.915963 4.292748 
1 1 1   11   40   16 o   8.2192   2.2706   42.787   52.510   49.873   74.718   35.872   73.812   8.4416   3.2433   7.9969   3.1786 0.4447603 4.541248 
1 1 1   11   40   17 o   10.977   2.2243  126.275   50.812   92.616   77.213  151.985   67.483   9.8701   3.3636   12.083   2.9115 -2.212913 4.448668 
1 1 1   11   40   18 o   21.206   1.3642  443.428   56.075  473.916   81.834  416.441   76.991   21.892   1.9257   20.520   1.9328 1.371792 2.728370 
1 1 1   11   40   19 o   17.169   1.6651  295.842   55.407  318.600   79.312  274.146   77.437   17.829   2.2916   16.510   2.4163 1.319691 3.330152 
1 1 1   11   40   20 o   10.320   2.2268   97.537   55.369  187.677   80.387   16.170   76.375   13.207   3.1748   7.4323   3.1234 5.774580 4.453629 
1 1 1   11   40   21 f   10.943   2.2796  117.658   54.600  198.798   84.297   59.013   71.665   13.478   3.2580   8.4076   3.1892 5.070482 4.559103 
1 1 1   11   40   22 o   26.814   1.1961  710.443   61.526  761.802   95.843  674.444   80.242   27.587   1.7898   26.041   1.5874 1.545212 2.392287 
1 1 1   11   40   23 o   18.113   1.7300  327.053   59.465  415.982   97.372  274.159   75.096   19.962   2.5129   16.265   2.3784 3.696630 3.459988 
1 1 1   11   41    0 o   18.451   2.0093  383.119   52.177  411.191   58.403  272.111  116.139   20.566   1.4629   16.335   3.7428 4.230482 4.018569 
1 1 1   11   41    1 o   30.847   1.1372  937.548   59.174  950.334   68.698  900.783  116.490   31.275   1.1316   30.418   1.9729 0.8575478 2.274331 
1 1 1   11   41    2 o   52.788   0.8531  2706.38   80.463  2704.12   96.473  2711.54  145.847   52.764   0.9419   52.812   1.4227 -0.4795837E-01 1.706196 
1 1 1   11   41    3 o  128.805   1.2916 16203.60  305.034 16316.50  375.007 15982.84  524.389  129.533   1.4914  128.079   2.1092 1.454071 2.583195 
1 1 1   11   41    4 o   46.617   0.9297  2045.44   75.410  1966.44   87.989  2264.02  146.358   44.990   1.0075   48.243   1.5628 -3.252594 1.859450 
1 1 1   11   41    5 o   56.122   0.8863  3026.94   88.653  2975.68  105.678  3148.69  162.879   55.345   0.9836   56.899   1.4747 -1.554134 1.772626 
1 1 1   11   41    6 o   87.366   1.0054  7390.00  159.652  7330.88  193.883  7514.52  281.377   86.854   1.1500   87.878   1.6495 -1.023712 2.010757 
1 1 1   11   41    7 o   44.251   0.9342  1897.61   71.445  1889.88   83.677  1918.38  137.242   44.104   0.9774   44.398   1.5924 -0.2936363 1.868459 
1 1 1   11   41    8 o   24.389   1.4607  568.829   62.160  554.949   72.898  605.810  118.992   23.878   1.5727   24.899   2.4619 -1.020250 2.921376 
1 1 1   11   41    9 o   41.749   0.9919  1674.13   72.612  1646.46   85.571  1745.28  137.235   41.160   1.0710   42.337   1.6698 -1.177456 1.983787 
1 1 1   11   41   10 o   53.890   0.8923  2822.74   89.307  2818.60  111.125  2830.30  150.074   53.850   1.0631   53.930   1.4335 -0.8005142E-01 1.784687 
1 1 1   11   41   11 o   45.629   0.9857  2097.82   81.233  2242.21  100.225  1821.35  138.687   48.024   1.0751   43.235   1.6525 4.789768 1.971442 
1 1 1   11   41   12 o   42.479   1.0985  1789.99   82.928  1839.12   99.788  1680.30  149.096   43.476   1.1824   41.481   1.8516 1.994385 2.196924 
1 1 1   11   41   13 o   52.668   0.9493  2678.85   90.188  2639.19  108.625  2766.87  161.813   52.082   1.0744   53.253   1.5653 -1.171799 1.898579 
1 1 1   11   41   14 f   64.356   0.9269  4015.49  109.065  3973.34  133.133  4101.50  190.179   63.891   1.0735   64.822   1.5114 -0.9309807 1.853811 
1 1 1   11   41   15 f   24.278   1.5321  556.564   68.025  513.959   81.982  650.733  121.883   22.894   1.8447   25.662   2.4467 -2.767958 3.064195 
1 1 1   11   41   16 o   9.8075   2.4390   40.231   62.587 -32.7422   77.393  178.150  106.397   6.5320   2.9330   13.083   3.8977 -6.551078 4.877936 
1 1 1   11   41   17 o   31.237   1.1604  960.489   67.555  965.195   84.610  952.212  112.200   31.397   1.3883   31.077   1.8599 0.3196926 2.320891 
1 1 1   11   41   18 o   17.074   2.1261  300.618   63.784  298.104   77.097  306.071  113.549   17.267   2.3002   16.880   3.5764 0.3863945 4.252257 
1 1 1   11   41   19 o   19.999   1.4201  405.058   52.844  271.596   73.564  547.351   75.959   16.455   2.3030   23.543   1.6621 -7.088047 2.840112 
1 1 1   11   41   20 o   25.701   1.0754  651.064   53.546  674.362   78.703  630.985   73.062   26.119   1.5523   25.283   1.4886 0.8355579 2.150733 
1 1 1   11   41   21 o   17.778   1.5364  316.490   52.363  392.805   78.017  253.928   70.638   19.754   2.0346   15.803   2.3027 3.950649 3.072775 
1 1 1   11   41   22 o   6.5969   2.0938 -20.6110   54.583 -16.5996   86.516 -23.2634   70.351   7.0081   3.1271   6.1857   2.7853 0.8224463 4.187662 
1 1 1   11   42    0 o   65.187   0.9154  4212.10  106.107  4342.23  127.828  3923.76  190.277   66.858   0.9849   63.516   1.5433 3.342224 1.830773 
1 1 1   11   42    1 o   39.790   0.9716  1541.17   67.432  1543.54   79.539  1535.11  127.147   39.860   1.0280   39.721   1.6490 0.1386795 1.943168 
1 1 1   11   42    2 o   46.686   0.9478  2142.63   74.308  2166.67   86.015  2071.91  147.538   47.228   0.9382   46.145   1.6471 1.083420 1.895560 
1 1 1   11   42    3 o   61.325   0.9062  3556.17   97.164  3433.80  113.828  3884.75  186.521   59.453   0.9863   63.197   1.5204 -3.743965 1.812327 
1 1 1   11   42    4 o   64.232   0.9111  4103.49  106.070  4286.92  130.307  3743.28  182.604   66.428   1.0105   62.037   1.5163 4.391171 1.822216 
1 1 1   11   42    5 o  108.470   1.1570 11487.68  228.858 11562.07  279.812 11337.37  397.762  109.051   1.3218  107.889   1.8992 1.162476 2.313944 
1 1 1   11   42    6 o   24.887   1.3596  600.119   59.167  595.596   69.758  611.717  111.700   24.743   1.4524   25.032   2.2988 -0.2887211 2.719153 
1 1 1   11   42    7 o   51.873   0.9087  2577.96   84.320  2519.50  100.669  2715.39  154.353   50.920   1.0185   52.826   1.5052 -1.906284 1.817397 
1 1 1   11   42    8 o   84.399   1.0000  6806.71  151.629  6614.20  181.430  7252.63  276.130   82.490   1.1330   86.308   1.6481 -3.818497 2.000039 
1 1 1   11   42    9 o   55.579   0.8965  2992.17   90.701  2969.71  110.316  3039.01  159.345   55.278   1.0281   55.880   1.4690 -0.6024971 1.792988 
1 1 1   11   42   10 o   51.396   0.9426  2599.80   87.662  2654.25  106.825  2487.54  153.393   52.254   1.0532   50.539   1.5636 1.714794 1.885170 
1 1 1   11   42   11 o   52.977   0.9253  2690.73   89.615  2613.11  108.908  2853.47  157.702   51.836   1.0823   54.118   1.5012 -2.281815 1.850685 
1 1 1   11   42   12 o   35.872   1.3259  1248.97   91.952  1159.42  123.417  1360.70  137.856   34.442   1.8460   37.303   1.9038 -2.861809 2.651788 
1 1 1   11   42   13 o   6.9957   2.2739 -79.8720   66.471 -109.9106   81.565 -20.4766  114.694   5.5755   2.6664   8.4159   3.6842 -2.840381 4.547826 
1 1 1   11   42   14 o   32.494   1.1568  1035.89   70.268  1045.00   88.436  1020.29  115.730   32.723   1.3922   32.266   1.8477 0.4563942 2.313518 
1 1 1   11   42   15 o   28.795   1.3462  845.941   67.751  893.056   81.296  738.817  122.585   30.238   1.3850   27.351   2.3088 2.886997 2.692390 
1 1 1   11   42   16 o   39.540   1.0010  1510.61   72.980  1470.11   89.553  1590.70  125.927   38.808   1.1888   40.272   1.6108 -1.464672 2.001979 
1 1 1   11   42   17 o   11.380   2.3913  141.385   64.325  205.808   79.108   15.675  110.506   13.997   3.0016   8.7623   3.7234 5.234739 4.782581 
1 1 1   11   42   18 o   27.879   1.3962  812.532   68.876  885.618   84.340  666.200  119.339   30.012   1.4477   25.746   2.3879 4.265675 2.792431 
1 1 1   11   42   19 o   13.495   2.4735  201.131   64.076  211.880   80.066  181.981  106.865   14.102   3.0161   12.889   3.9213 1.213332 4.947075 
1 1 1   11   42   20 o   24.132   1.4125  581.295   65.952  551.949   89.001  617.037   98.220   23.477   1.9529   24.787   2.0413 -1.310398 2.825035 
1 1 1   11   42   21 o   17.192   1.9731  317.167   62.829  351.426   84.269  274.286   94.278   18.545   2.3409   15.838   3.1770 2.706689 3.946220 
1 1 1   11   42   22 o   30.230   1.2604  913.602   73.581  860.287   98.216  981.809  111.088   29.264   1.7289   31.197   1.8344 -1.932438 2.520760 
1 1 1   11   43    0 f   30.852   1.1083  898.936   58.980  868.817   68.534  984.947  115.813   29.899   1.1808   31.804   1.8759 -1.904074 2.216610 
1 1 1   11   43    1 o   61.428   0.9369  3738.26  100.580  3834.02  119.541  3506.16  186.108   62.823   0.9802   60.033   1.5970 2.790211 1.873871 
1 1 1   11   43    2 o   48.662   0.9356  2297.83   79.431  2292.45   93.613  2311.66  150.097   48.577   0.9927   48.746   1.5862 -0.1687508 1.871273 
1 1 1   11   43    3 f   32.936   1.1101  1085.81   64.543  1132.84   77.628  980.513  116.165   34.141   1.1713   31.730   1.8860 2.411514 2.220133 
1 1 1   11   43    4 o   7.9358   2.3605   7.1255   55.901  -1.3134   65.651   29.375  106.601   6.6995   2.8589   9.1720   3.7569 -2.472535 4.720946 
1 1 1   11   43    5 o   66.455   0.9273  4328.93  110.975  4388.07  134.417  4202.30  196.677   67.198   1.0305   65.712   1.5419 1.486664 1.854505 
1 1 1   11   43    6 o   94.464   1.0843  8668.80  184.420  8643.87  222.402  8723.67  329.957   94.293   1.2150   94.635   1.7961 -0.3422012 2.168513 
1 1 1   11   43    7 o  113.553   1.2108 12484.28  248.491 12358.27  300.106 12759.05  443.171  112.716   1.3716  114.389   1.9958 -1.673317 2.421684 
1 1 1   11   43    8 o   51.665   0.9437  2593.92   85.853  2590.25  101.839  2602.92  159.621   51.626   1.0162   51.703   1.5904 -0.7718277E-01 1.887328 
1 1 1   11   43    9 o   52.056   0.9446  2600.32   89.341  2536.08  108.038  2739.25  158.884   51.075   1.0897   53.037   1.5432 -1.962360 1.889197 
1 1 1   11   43   10 o   36.853   1.0541  1341.34   69.274  1370.76   83.441  1276.08  124.273   37.540   1.1450   36.165   1.7702 1.374260 2.108236 
1 1 1   11   43   11 o   43.589   0.9569  1867.57   77.099  1907.40   95.988  1795.17  129.428   44.275   1.1168   42.903   1.5541 1.372562 1.913795 
1 1 1   11   43   12 o   44.522   0.9990  1934.02   81.198  1936.65   99.259  1928.70  141.174   44.602   1.1464   44.442   1.6364 0.1604881 1.998042 
1 1 1   11   43   13 o   21.972   1.5990  447.427   65.091  389.535   79.063  569.209  114.672   19.922   2.0445   24.022   2.4591 -4.100389 3.198012 
1 1 1   11   43   14 o   53.155   0.8965  2764.72   89.128  2788.59  112.225  2723.96  146.671   53.503   1.0806   52.806   1.4308 0.6964493 1.793011 
1 1 1   11   43   15 o   46.583   0.9888  2149.76   83.474  2203.79  102.006  2040.25  145.232   47.544   1.1053   45.623   1.6399 1.920788 1.977590 
1 1 1   11   43   16 f   18.107   1.7743  313.526   60.977  257.053   77.198  407.210   99.431   16.040   2.4793   20.174   2.5389 -4.134413 3.548695 
1 1 1   11   43   17 o   8.2051   2.4469   3.8517   61.980 -22.9367   73.866   67.584  113.933   6.4857   2.8921   9.9244   3.9478 -3.438711 4.893749 
1 1 1   11   43   18 o   19.488   1.9656  403.604   65.814  425.708   79.947  357.129  115.922   20.685   1.9911   18.291   3.3897 2.393452 3.931203 
1 1 1   11   43   19 o   10.559   2.3934   78.720   62.126  -5.0848   78.293  221.201  102.087   7.0002   3.0547   14.118   3.6855 -7.117753 4.786864 
1 1 1   11   43   20 o   29.657   1.2271  886.476   68.559  921.844   88.126  832.252  109.118   30.518   1.4876   28.796   1.9521 1.721825 2.454267 
1 1 1   11   43   21 o   6.3059   2.1043 -86.2960   65.476 -107.0394   84.780 -55.6349  103.073   5.5881   2.6845   7.0238   3.2413 -1.435679 4.208648 
1 1 1   11   43   22 o   16.655   2.4046  319.879   73.347  342.844   92.256  280.426  120.922   18.044   2.6339   15.265   4.0238 2.778542 4.809168 
1 1 1   11   44    0 o   14.487   2.3648  219.682   57.235  230.054   64.793  182.843  122.113   15.360   2.1730   13.613   4.2009 1.747051 4.729652 
1 1 1   11   44    1 o   17.465   2.0180  293.314   56.543  284.277   64.379  323.808  118.257   17.081   1.9416   17.848   3.5383 -0.7667542 4.036014 
1 1 1   11   44    2 o   17.095   2.2469  295.905   61.049  298.965   69.470  285.530  127.930   17.511   2.0437   16.680   4.0022 0.8308983 4.493817 
1 1 1   11   44    3 o   78.863   0.9670  6005.53  138.132  5929.28  167.027  6170.54  245.698   78.106   1.1016   79.621   1.5897 -1.514282 1.934085 
1 1 1   11   44    4 o  121.137   1.2851 14326.85  290.022 14408.86  362.988 14182.06  482.284  121.682   1.5367  120.593   2.0602 1.088020 2.570233 
1 1 1   11   44    5 o   71.845   0.9468  5032.50  122.053  5052.98  147.017  4987.08  218.941   72.109   1.0503   71.581   1.5757 0.5271530 1.893629 
1 1 1   11   44    6 o   55.278   0.9447  2975.69   91.520  2980.39  108.291  2963.94  171.207   55.380   1.0073   55.176   1.5985 0.2039337 1.889397 
1 1 1   11   44    7 o   65.212   0.9525  4126.98  110.945  4111.31  132.891  4163.01  201.543   65.038   1.0526   65.386   1.5879 -0.3485031 1.905084 
1 1 1   11   44    8 o   51.544   0.9772  2639.10   90.744  2736.74  110.657  2438.63  158.562   53.057   1.0744   50.031   1.6327 3.026131 1.954456 
1 1 1   11   44    9 o   67.760   0.9592  4559.83  117.394  4728.26  143.471  4218.60  204.206   69.732   1.0599   65.788   1.5990 3.943153 1.918402 
1 1 1   11   44   10 o   7.5603   2.3766 -24.2395   64.575 -16.0208   76.712 -44.2261  119.627   6.8832   3.0131   8.2373   3.6762 -1.354093 4.753279 
1 1 1   11   44   11 o   48.009   0.9306  2248.45   81.925  2254.14  100.622  2237.27  141.102   48.130   1.0770   47.889   1.5179 0.2411537 1.861152 
1 1 1   11   44   12 o   9.8077   2.5325   61.145   61.708   23.219   75.699  136.272  106.540   7.7489   3.1690   11.866   3.9511 -4.117521 5.064941 
1 1 1   11   44   13 o   34.836   1.1581  1186.31   73.831  1183.97   90.416  1190.98  127.902   34.832   1.3372   34.840   1.8912 -0.8533478E-02 2.316193 
1 1 1   11   44   14 o   41.627   0.9956  1690.05   75.857  1683.35   92.859  1703.49  131.523   41.550   1.1513   41.703   1.6247 -0.1531296 1.991245 
1 1 1   11   44   15 o   36.118   1.1398  1296.41   73.560  1322.60   88.747  1238.93  131.489   36.790   1.2427   35.445   1.9110 1.344868 2.279515 
1 1 1   11   44   16 o   15.134   2.3097  224.873   64.406  167.148   80.005  331.174  108.568   12.539   3.2575   17.729   3.2753 -5.190282 4.619433 
1 1 1   11   44   17 o   21.512   1.7129  460.751   67.234  451.437   81.848  480.074  117.893   21.308   1.9788   21.717   2.7966 -0.4088078 3.425870 
1 1 1   11   44   18 o   16.190   2.1599  245.845   64.193  157.223   78.641  422.808  111.127   12.069   3.2737   20.311   2.8185 -8.241833 4.319855 
1 1 1   11   44   19 o   10.181   2.4993  105.734   60.965  123.541   80.660   82.006   93.111   10.749   3.4282   9.6130   3.6379 1.135829 4.998677 
1 1 1   11   44   20 o   12.108   2.4843  165.349   63.103  198.320   85.831  126.563   93.094   13.359   3.3234   10.858   3.6934 2.501118 4.968539 
1 1 1   11   44   21 o   12.462   2.7467  177.740   71.674  165.915   89.905  198.364  118.727   12.024   3.5830   12.899   4.1640 -0.8748856 5.493331 
1 1 1   11   45    0 f   18.458   1.9564  372.268   58.594  415.971   69.961  269.591  107.235   20.667   1.7439   16.250   3.5027 4.416569 3.912825 
1 1 1   11   45    1 o   61.556   0.9028  3688.98   98.619  3695.72  117.720  3673.11  180.600   61.673   0.9833   61.438   1.5143 0.2347488 1.805551 
1 1 1   11   45    2 o   87.150   1.0521  7290.64  164.038  7139.34  195.948  7645.07  299.903   85.699   1.1779   88.601   1.7437 -2.901993 2.104270 
1 1 1   11   45    3 o   75.938   0.9976  5616.29  135.771  5627.28  163.300  5591.68  244.352   76.091   1.1056   75.785   1.6610 0.3063126 1.995292 
1 1 1   11   45    4 o   25.673   1.5196  653.603   67.483  666.797   79.597  619.878  127.257   26.173   1.5667   25.172   2.6044 1.001184 3.039259 
1 1 1   11   45    5 o   18.307   2.2452  387.865   64.130  440.064   74.729  241.995  124.921   21.250   1.8116   15.364   4.1088 5.886051 4.490461 
1 1 1   11   45    6 o   75.963   0.9693  5660.67  134.420  5753.70  164.943  5476.71  231.945   76.932   1.1045   74.993   1.5933 1.939400 1.938690 
1 1 1   11   45    7 f   39.855   1.0532  1585.96   75.072  1653.95   91.166  1442.76  132.316   41.242   1.1388   38.468   1.7719 2.774052 2.106319 
1 1 1   11   45    8 o   86.577   1.0387  7352.00  164.448  7455.25  202.012  7149.16  283.143   87.538   1.1888   85.615   1.7037 1.922844 2.077458 
1 1 1   11   45    9 f   40.992   1.0749  1678.92   74.057  1721.89   86.109  1556.84  145.148   42.073   1.0543   39.912   1.8735 2.161800 2.149767 
1 1 1   11   45   10 o   47.463   0.9920  2182.75   84.596  2161.43  101.674  2230.73  152.499   47.126   1.1114   47.799   1.6436 -0.6726456 1.984076 
1 1 1   11   45   11 o   21.641   1.6164  470.323   63.546  490.319   78.243  431.577  108.916   22.384   1.8007   20.897   2.6850 1.487404 3.232877 
1 1 1   11   45   12 o   9.3904   2.4862   62.286   58.947   43.521   72.862   97.838  100.290   8.1944   3.1878   10.586   3.8162 -2.391838 4.972461 
1 1 1   11   45   13 o   9.1429   2.5689   51.453   64.501   58.881   77.082   34.102  117.803   8.7876   3.3137   9.4981   3.9263 -0.7105541 5.137734 
1 1 1   11   45   14 o   12.412   2.4645  163.509   62.177  184.147   81.980  135.562   95.400   13.246   3.2196   11.578   3.7321 1.668458 4.928938 
1 1 1   11   45   15 o   24.749   1.4670  578.855   66.085  530.223   79.200  690.318  119.903   23.192   1.7592   26.305   2.3481 -3.113068 2.934011 
1 1 1   11   45   16 o   14.466   2.3596  215.419   62.908  189.503   78.236  262.825  105.812   13.347   3.0819   15.584   3.5738 -2.237220 4.719167 
1 1 1   11   45   17 o   16.387   2.2552  287.706   65.893  298.421   80.700  266.273  114.136   17.212   2.4154   15.562   3.8091 1.649538 4.510361 
1 1 1   11   45   18 o   34.605   1.1260  1183.14   72.621  1177.48   90.767  1193.21  121.057   34.584   1.3520   34.626   1.8010 -0.4195404E-01 2.252033 
1 1 1   11   45   19 f   26.617   1.3116  696.019   66.650  642.101   85.549  779.291  106.315   25.378   1.7365   27.855   1.9662 -2.476336 2.623273 
1 1 1   11   45   20 o   8.2264   2.4095   19.773   68.997   86.928   89.109 -80.7665  109.031   9.5439   3.5700   6.9090   3.2368 2.634943 4.818925 
1 1 1   11   45   21 o   13.495   2.6402  221.565   71.723  246.882   88.926  174.439  121.324   14.839   3.1827   12.151   4.2133 2.688070 5.280303 
1 1 1   11   46    0 o   60.051   0.9297  3425.52   97.956  3322.11  115.126  3696.73  186.443   58.471   1.0143   61.630   1.5584 -3.159962 1.859437 
1 1 1   11   46    1 o   71.995   0.9603  4982.93  121.829  4903.98  144.079  5180.99  228.203   71.037   1.0448   72.952   1.6114 -1.915535 1.920538 
1 1 1   11   46    2 o   71.285   0.9703  4972.58  124.399  5022.46  150.372  4864.44  221.430   71.885   1.0776   70.685   1.6138 1.200699 1.940508 
1 1 1   11   46    3 o   72.670   1.0964  5128.75  154.289  4977.83  209.747  5306.71  227.759   71.514   1.5109   73.827   1.5893 -2.313507 2.192854 
1 1 1   11   46    4 o  112.398   1.2562 12203.71  255.617 12016.82  308.795 12610.57  455.612  111.123   1.4315  113.673   2.0648 -2.550339 2.512481 
1 1 1   11   46    5 o   42.884   0.9892  1838.26   76.893  1936.31   94.718  1648.75  131.682   44.629   1.0933   41.139   1.6490 3.489876 1.978494 
1 1 1   11   46    6 o   84.663   1.0279  6973.43  159.303  6961.55  195.095  6997.21  275.951   84.600   1.1880   84.726   1.6778 -0.1261063 2.055836 
1 1 1   11   46    7 o   65.103   0.9091  4125.33  108.065  4124.72  132.067  4126.57  187.986   65.128   1.0446   65.078   1.4881 0.4933167E-01 1.818139 
1 1 1   11   46    8 o   21.538   1.7314  475.875   65.329  507.304   78.758  406.552  116.967   22.789   1.7803   20.287   2.9702 2.502626 3.462878 
1 1 1   11   46    9 o   46.754   0.9638  2090.56   80.941  2028.33   96.809  2235.10  147.543   45.654   1.0924   47.855   1.5883 -2.200397 1.927676 
1 1 1   11   46   10 o   17.475   2.1264  322.720   62.716  342.919   74.877  275.243  114.796   18.697   2.0631   16.254   3.7190 2.443457 4.252872 
1 1 1   11   46   11 o   54.017   0.9401  2832.02   92.753  2803.89  113.129  2889.71  162.008   53.656   1.0862   54.378   1.5348 -0.7222557 1.880231 
1 1 1   11   46   12 o   41.428   1.0014  1704.29   75.985  1764.74   94.062  1590.74  128.911   42.551   1.1388   40.306   1.6476 2.244946 2.002875 
1 1 1   11   46   13 o   12.489   2.6015  142.842   65.794   96.897   80.387  236.071  114.511   10.082   3.4321   14.895   3.9106 -4.812860 5.203044 
1 1 1   11   46   14 o   30.604   1.2034  895.028   68.761  830.269   84.931  1018.23  117.147   29.090   1.5040   32.118   1.8790 -3.028139 2.406794 
1 1 1   11   46   15 o   22.957   1.6343  549.248   68.421  606.885   86.399  452.304  112.051   24.776   1.7964   21.138   2.7308 3.638172 3.268659 
1 1 1   11   46   16 o   10.836   2.5663  117.829   61.868  113.244   77.469  125.904  102.797   10.476   3.3617   11.196   3.8785 -0.7197504 5.132630 
1 1 1   11   46   17 o   23.485   1.5882  560.786   67.770  572.498   83.073  537.483  117.180   24.010   1.7824   22.960   2.6292 1.049822 3.176379 
1 1 1   11   46   18 o   18.194   1.9605  345.286   63.652  343.710   78.360  348.342  109.136   18.445   2.1885   17.942   3.2534 0.5034447 3.920947 
1 1 1   11   46   19 o   12.840   2.2313  185.555   64.349  293.819   86.720   52.909   95.990   16.831   2.6543   8.8484   3.5874 7.982594 4.462596 
1 1 1   11   46   20 o   6.0291   2.0651 -153.4132   68.856 -210.4683   86.408 -54.1449  113.975   4.6712   2.3321   7.3871   3.4088 -2.715937 4.130178 
1 1 1   11   47    0 o   76.682   0.9815  5645.44  134.383  5532.10  160.305  5913.37  246.479   75.440   1.0947   77.925   1.6294 -2.485138 1.962999 
1 1 1   11   47    1 f   79.227   0.9872  6175.01  143.065  6315.91  176.201  5902.42  245.082   80.602   1.1261   77.852   1.6217 2.750763 1.974390 
1 1 1   11   47    2 o   26.399   1.5206  698.771   66.984  717.456   77.644  644.392  132.455   27.150   1.4733   25.648   2.6604 1.501791 3.041122 
1 1 1   11   47    3 o   46.387   0.9402  2101.18   76.813  2111.84   91.278  2075.31  142.190   46.613   1.0088   46.161   1.5868 0.4523773 1.880325 
1 1 1   11   47    4 f   18.447   1.9306  320.439   64.654  297.992   77.449  372.046  117.435   17.455   2.2858   19.440   3.1120 -1.985083 3.861265 
1 1 1   11   47    5 o   59.551   0.9414  3466.45  101.053  3491.34  122.288  3412.87  179.442   59.922   1.0513   59.180   1.5620 0.7417755 1.882853 
1 1 1   11   47    6 o   49.139   0.9643  2404.14   83.962  2485.97  100.989  2220.95  151.101   50.560   1.0290   47.718   1.6312 2.841618 1.928660 
1 1 1   11   47    7 o   70.704   0.9480  4920.15  123.425  5034.11  153.090  4708.50  208.628   71.929   1.0964   69.479   1.5469 2.450317 1.896036 
1 1 1   11   47    8 o   7.7940   2.3357 -16.9611   58.820 -51.7188   71.164   57.982  104.497   5.8983   2.7115   9.6898   3.8040 -3.791536 4.671438 
1 1 1   11   47    9 o   54.918   0.8772  2933.13   90.037  2918.24  112.862  2959.18  149.322   54.755   1.0618   55.081   1.3966 -0.3256416 1.754382 
1 1 1   11   47   10 o   15.451   2.3210  267.393   64.014  307.904   77.311  179.057  114.164   17.682   2.2524   13.220   4.0589 4.461449 4.642035 
1 1 1   11   47   11 o   9.8008   2.5370   29.991   63.076 -26.5885   74.409  174.460  118.901   6.5137   2.9037   13.088   4.1610 -6.574234 5.074020 
1 1 1   11   47   12 o   21.728   1.6105  466.096   65.610  463.529   82.654  470.468  107.878   21.700   1.9622   21.756   2.5544 -0.5614471E-01 3.221060 
1 1 1   11   47   13 o   45.121   0.9538  1966.21   79.070  1912.91   96.646  2074.11  137.509   44.266   1.1247   45.977   1.5407 -1.710991 1.907582 
1 1 1   11   47   14 o   17.149   2.1048  290.730   65.694  260.836   80.699  349.466  113.114   16.103   2.5817   18.195   3.3251 -2.092482 4.209662 
1 1 1   11   47   15 o   13.215   2.4792  183.035   62.478  167.565   77.482  211.790  105.637   12.516   3.1821   13.914   3.8026 -1.398441 4.958409 
1 1 1   11   47   16 o   13.956   2.4898  206.870   65.348  191.553   81.387  234.661  109.628   13.345   3.1858   14.567   3.8272 -1.221534 4.979635 
1 1 1   11   47   17 o   22.568   1.7094  528.974   70.100  553.710   86.655  482.134  119.243   23.545   1.8960   21.592   2.8450 1.953197 3.418884 
1 1 1   11   47   18 o   12.941   2.4835  187.223   63.695  188.363   84.942  185.758   96.277   13.037   3.3411   12.845   3.6753 0.1921358 4.966969 
1 1 1   11   47   19 o   11.223   2.6239  142.049   67.452  164.807   86.432  106.595  107.879   12.070   3.4908   10.377   3.9185 1.692549 5.247871 
1 1 1   11   47   20 o   9.9117   2.6618   96.959   68.659   97.021   85.151   96.842  116.079   9.6808   3.5123   10.142   4.0004 -0.4616785 5.323524 
1 1 1   11   48    0 o   19.376   1.9002  384.199   61.958  399.329   73.690  347.701  114.450   20.234   1.8762   18.519   3.3050 1.714823 3.800360 
1 1 1   11   48    1 o   26.516   1.4230  691.491   64.172  697.029   74.728  675.937  125.239   26.758   1.4387   26.275   2.4555 0.4833241 2.845899 
1 1 1   11   48    2 o   15.933   2.3343  276.032   62.303  298.859   72.375  210.711  122.430   17.487   2.1321   14.380   4.1534 3.106661 4.668675 
1 1 1   11   48    3 o   53.087   0.9614  2744.65   89.253  2745.84  105.431  2741.62  167.672   53.143   1.0220   53.032   1.6288 0.1110382 1.922855 
1 1 1   11   48    4 o   81.777   1.0278  6448.74  149.784  6349.23  178.625  6684.45  274.916   80.786   1.1390   82.769   1.7111 -1.983604 2.055522 
1 1 1   11   48    5 o   70.310   0.9738  4851.83  123.005  4912.02  148.654  4721.16  219.056   71.058   1.0777   69.562   1.6222 1.495605 1.947600 
1 1 1   11   48    6 o   30.705   1.3001  906.569   70.173  886.726   82.754  957.353  132.388   30.162   1.4134   31.248   2.1825 -1.086552 2.600224 
1 1 1   11   48    7 o   45.575   0.9972  2024.43   80.965  2023.16   96.883  2027.37  147.427   45.593   1.0947   45.557   1.6671 0.3576279E-01 1.994358 
1 1 1   11   48    8 o   37.938   1.0517  1383.11   73.172  1340.44   89.183  1470.99  127.993   37.089   1.2387   38.786   1.7000 -1.696705 2.103417 
1 1 1   11   48    9 o   30.806   1.1451  925.302   65.236  918.807   80.680  937.567  110.870   30.685   1.3545   30.926   1.8468 -0.2408810 2.290258 
1 1 1   11   48   10 o   28.357   1.2907  798.749   67.223  821.040   83.304  757.133  113.823   28.983   1.4807   27.731   2.1145 1.251673 2.581359 
1 1 1   11   48   11 o   34.898   1.1333  1185.72   68.115  1177.11   79.586  1209.28  131.701   34.737   1.1803   35.060   1.9352 -0.3224754 2.266684 
1 1 1   11   48   12 o   41.072   1.0010  1601.90   74.707  1516.39   89.837  1793.58  134.510   39.406   1.1744   42.738   1.6213 -3.332592 2.001998 
1 1 1   11   48   13 o   31.815   1.1752  1001.25   69.062  1011.90   85.723  981.543  116.582   32.129   1.3745   31.500   1.9066 0.6287346 2.350332 
1 1 1   11   48   14 o   11.493   2.6651  127.916   65.185  106.481   79.024  173.553  115.307   10.258   3.4022   12.728   4.1031 -2.470278 5.330132 
1 1 1   11   48   15 o   7.9353   2.3434   19.918   59.356   6.3536   76.986   39.798   93.203   7.2398   3.0928   8.6307   3.5214 -1.390846 4.686797 
1 1 1   11   48   16 o   19.679   2.0425  434.527   67.375  488.785   82.515  325.999  116.701   22.129   1.9210   17.229   3.6052 4.899940 4.085055 
1 1 1   11   48   17 f   8.0038   2.4109   13.813   67.469   53.336   83.199 -62.0968  115.303   8.5512   3.3824   7.4563   3.4365 1.094951 4.821793 
1 1 1   11   48   18 f   13.705   2.4987  221.549   68.934  271.950   89.553  148.259  107.990   15.825   3.0255   11.584   3.9774 4.240950 4.997360 
1 1 1   11   48   19 o   23.609   1.6927  591.566   73.963  634.268   94.096  522.523  119.649   25.010   1.9381   22.207   2.7756 2.803698 3.385321 
1 1 1   11   49    0 o   43.787   1.0081  1809.50   76.808  1741.15   89.647  1998.19  148.944   42.311   1.0915   45.262   1.6952 -2.950455 2.016205 
1 1 1   11   49    1 o   22.932   1.5595  470.571   61.846  423.881   71.143  615.000  125.128   20.840   1.7586   25.024   2.5759 -4.183718 3.118942 
1 1 1   11   49    2 o   28.725   1.3342  801.932   66.887  796.436   78.785  816.117  126.577   28.591   1.4195   28.859   2.2595 -0.2673988 2.668411 
1 1 1   11   49    3 o   63.799   0.9371  3910.41  107.314  3825.39  128.508  4106.31  195.069   62.710   1.0557   64.888   1.5487 -2.178524 1.874246 
1 1 1   11   49    4 o   36.610   1.0967  1327.48   68.792  1351.06   80.639  1264.44  131.848   37.261   1.1149   35.959   1.8889 1.302074 2.193352 
1 1 1   11   49    5 o   21.527   1.6784  434.914   66.053  398.351   79.478  516.563  118.769   20.166   2.0303   22.888   2.6732 -2.721605 3.356797 
1 1 1   11   49    6 o   44.285   0.9826  1867.09   77.014  1805.40   91.012  2022.67  144.526   43.067   1.0887   45.503   1.6362 -2.436008 1.965286 
1 1 1   11   49    7 o   31.006   1.2424  944.602   69.776  951.527   84.827  930.114  122.702   31.229   1.3993   30.783   2.0534 0.4459915 2.484871 
1 1 1   11   49    8 o   66.209   0.9527  4310.40  114.708  4373.38  140.204  4182.89  199.492   67.010   1.0778   65.407   1.5712 1.602699 1.905374 
1 1 1   11   49    9 o   13.016   2.5415  178.184   63.599  185.913   76.425  160.776  114.694   13.392   3.0128   12.640   4.0940 0.7517548 5.083055 
1 1 1   11   49   10 o   42.508   0.9925  1784.22   76.690  1818.95   93.835  1714.36  133.091   43.192   1.1192   41.823   1.6393 1.368782 1.984923 
1 1 1   11   49   11 o   27.282   1.3536  716.419   68.424  677.722   83.977  792.853  118.024   26.268   1.6469   28.295   2.1488 -2.026941 2.707285 
1 1 1   11   49   12 o   43.551   1.0270  1881.79   79.348  1913.82   95.125  1808.53  143.864   44.265   1.1070   42.837   1.7301 1.428543 2.053959 
1 1 1   11   49   13 o   7.2170   2.2704 -37.8356   61.041 -69.5237   74.905   24.809  105.318   5.7157   2.6794   8.7184   3.6660 -3.002683 4.540778 
1 1 1   11   49   14 o   12.721   2.3875  132.854   65.592   34.967   80.722  323.096  112.533   8.0956   3.2871   17.346   3.4634 -9.250270 4.774957 
1 1 1   11   49   15 f   19.901   1.7800  418.458   64.839  465.282   82.498  342.795  104.869   21.589   1.9685   18.213   2.9663 3.376442 3.560042 
1 1 1   11   49   16 o   11.130   2.6291   98.371   66.888   38.276   80.739  229.852  119.426   8.0888   3.2863   14.172   4.1047 -6.082964 5.258152 
1 1 1   11   49   17 o   14.424   2.3653  249.298   66.392  306.247   82.645  145.668  111.486   17.271   2.4652   11.577   4.0375 5.693174 4.730596 
1 1 1   11   49   18 o   23.537   1.5432  567.908   69.395  576.965   91.042  555.349  107.208   23.874   1.9645   23.200   2.3805 0.6741714 3.086453 
1 1 1   11   50    0 o   19.418   2.0091  385.496   63.293  393.947   73.502  361.252  124.491   20.073   1.8863   18.763   3.5480 1.310398 4.018278 
1 1 1   11   50    1 o   14.784   2.2372  265.075   58.050  319.689   68.039  118.959  111.291   18.077   1.9389   11.490   4.0325 6.587780 4.474382 
1 1 1   11   50    2 o   47.895   0.9348  2231.33   80.207  2225.75   96.342  2243.94  144.779   47.832   1.0376   47.958   1.5552 -0.1257820 1.869556 
1 1 1   11   50    3 o   77.233   0.9901  5841.69  139.424  5893.64  170.558  5737.04  242.061   77.813   1.1292   76.654   1.6268 1.158806 1.980249 
1 1 1   11   50    4 o   27.213   1.3101  745.523   64.090  784.462   78.395  667.055  111.287   28.361   1.4240   26.066   2.1994 2.295225 2.620164 
1 1 1   11   50    5 o   56.922   0.9249  3102.22   94.735  3012.28  113.502  3308.76  172.001   55.630   1.0511   58.213   1.5221 -2.582741 1.849739 
1 1 1   11   50    6 o   43.970   0.9500  1901.70   77.545  1941.40   97.031  1831.53  129.007   44.645   1.1196   43.296   1.5350 1.348919 1.899919 
1 1 1   11   50    7 f   24.945   1.3835  550.967   61.582  470.395   71.996  770.620  118.872   21.918   1.6921   27.972   2.1892 -6.053627 2.766947 
1 1 1   11   50    8 o   37.669   1.1076  1368.87   75.693  1334.62   91.431  1443.46  134.945   36.983   1.2736   38.356   1.8124 -1.373486 2.215153 
1 1 1   11   50    9 o   38.929   1.0813  1445.63   74.980  1391.06   88.956  1579.53  139.343   37.755   1.2138   40.104   1.7899 -2.348789 2.162655 
1 1 1   11   50   10 o   37.710   1.0653  1403.27   72.183  1418.96   87.248  1369.24  128.502   38.119   1.1791   37.301   1.7747 0.8175964 2.130692 
1 1 1   11   50   11 o   24.484   1.4258  601.858   65.619  629.264   84.182  559.420  104.755   25.272   1.7160   23.695   2.2775 1.577545 2.851562 
1 1 1   11   50   12 o   8.1426   2.3975   16.900   66.123   65.860   80.743 -82.8011  115.221   8.9791   3.3902   7.3061   3.3910 1.673065 4.795011 
1 1 1   11   50   13 o   10.821   2.5800  112.384   62.214   92.447   77.446  148.658  104.466   9.7431   3.3670   11.899   3.9101 -2.156145 5.159981 
1 1 1   11   50   14 o   29.980   1.2996  914.349   71.332  963.638   88.866  825.067  119.604   31.272   1.4639   28.689   2.1477 2.582888 2.599144 
1 1 1   11   50   15 o   9.8645   2.5927   81.067   65.610   49.386   83.642  131.739  105.783   8.4865   3.3804   11.243   3.9322 -2.756087 5.185483 
1 1 1   11   50   16 o   10.300   2.7084  101.361   70.252   98.040   87.649  107.327  117.484   9.9301   3.5689   10.671   4.0748 -0.7406082 5.416727 
1 1 1   11   50   17 o   21.483   1.7188  480.801   70.067  505.074   91.688  446.726  108.634   22.293   2.1188   20.673   2.7070 1.619284 3.437619 
1 1 1   11   50   18 o   6.7520   2.1766 -67.8043   69.755   23.585   88.173 -220.6807  114.041   7.8198   3.3245   5.6841   2.8104 2.135631 4.353223 
1 1 1   11   51    0 o   34.984   1.1460  1186.90   69.783  1176.63   82.017  1213.82  132.809   34.758   1.2156   35.210   1.9431 -0.4515114 2.292022 
1 1 1   11   51    1 o   11.679   2.5986  135.091   60.231  140.753   68.974  116.907  123.601   11.698   3.0176   11.661   4.2315 0.3708267E-01 5.197263 
1 1 1   11   51    2 o   22.531   1.7284  521.185   65.153  544.416   76.053  457.112  126.303   23.603   1.6599   21.458   3.0322 2.144814 3.456788 
1 1 1   11   51    3 o   34.192   1.2079  1137.97   72.685  1130.58   86.102  1156.32  135.591   34.054   1.3025   34.331   2.0346 -0.2763634 2.415826 
1 1 1   11   51    4 o   26.463   1.4450  678.773   64.313  669.988   74.095  705.609  129.505   26.196   1.4571   26.730   2.4958 -0.5349293 2.890057 
1 1 1   11   51    5 o   17.459   2.2752  359.688   65.944  427.671   79.171  205.670  119.167   20.872   1.9541   14.046   4.1094 6.825632 4.550346 
1 1 1   11   51    6 o   17.798   2.2095  380.225   64.067  460.660   77.240  202.875  114.693   21.670   1.8362   13.926   4.0194 7.744051 4.418935 
1 1 1   11   51    7 o   69.488   0.9303  4659.75  117.800  4559.07  142.979  4872.52  207.854   68.400   1.0768   70.575   1.5172 -2.174675 1.860502 
1 1 1   11   51    8 o   43.016   0.9587  1802.84   76.255  1789.72   94.295  1827.63  129.634   42.836   1.1340   43.196   1.5460 -0.3601837 1.917325 
1 1 1   11   51    9 o   23.708   1.6684  601.997   68.710  677.096   84.104  451.286  119.144   26.251   1.6504   21.164   2.9000 5.086864 3.336788 
1 1 1   11   51   10 o   21.119   1.7316  436.148   63.739  423.551   74.723  469.796  122.125   20.706   1.8590   21.532   2.9218 -0.8258343 3.463109 
1 1 1   11   51   11 o   21.764   1.6285  469.217   66.652  454.391   83.862  494.645  109.824   21.379   2.0208   22.149   2.5543 -0.7704163 3.256988 
1 1 1   11   51   12 o   10.737   2.2913  118.988   64.978  205.802   79.104 -61.1068  113.934   13.933   3.0125   7.5405   3.4533 6.392288 4.582621 
1 1 1   11   51   13 o   10.093   2.6316   89.363   65.634   75.479   81.560  114.878  110.563   9.2425   3.4237   10.943   3.9974 -1.700599 5.263109 
1 1 1   11   51   14 o   12.744   2.5585  163.743   65.019  118.139   80.547  249.031  110.152   10.579   3.4313   14.909   3.7960 -4.330285 5.116950 
1 1 1   11   51   15 o   27.601   1.3957  750.687   71.784  715.296   88.896  817.011  121.695   26.800   1.7088   28.402   2.2073 -1.601915 2.791409 
1 1 1   11   51   16 o   19.997   1.8898  414.058   71.168  407.995   90.239  424.034  115.750   19.966   2.3283   20.028   2.9772 -0.6265831E-01 3.779525 
1 1 1   11   51   17 o   8.8064   2.5438   54.836   68.310   60.684   88.935   46.421  106.677   8.7483   3.4854   8.8645   3.7061 -0.1162415 5.087538 
1 1 1   11   52    0 o   44.582   0.9319  1897.55   74.703  1833.65   89.356  2045.88  136.143   43.399   1.0607   45.766   1.5325 -2.366924 1.863726 
1 1 1   11   52    1 f   8.0386   2.3944   8.2409   58.028  -3.4007   68.484   37.875  109.263   6.7400   2.8991   9.3373   3.8116 -2.597327 4.788867 
1 1 1   11   52    2 o   9.2986   2.2732   63.008   61.747  141.216   74.320 -111.2763  110.946   11.698   3.1865   6.8995   3.2428 4.798212 4.546426 
1 1 1   11   52    3 o   65.127   0.9443  4156.87  111.871  4190.74  136.534  4087.68  195.143   65.595   1.0723   64.659   1.5547 0.9357376 1.888647 
1 1 1   11   52    4 o   31.429   1.3013  1007.86   69.902  1056.47   82.567  884.872  131.340   32.905   1.2926   29.953   2.2589 2.952312 2.602587 
1 1 1   11   52    5 o   7.5037   2.2839  -9.7200   62.745   42.230   73.389 -150.8685  120.970   8.1591   3.1923   6.8482   3.2673 1.310877 4.567882 
1 1 1   11   52    6 o   24.472   1.4939  556.490   66.114  502.976   78.612  685.816  122.207   22.634   1.7892   26.311   2.3927 -3.677301 2.987718 
1 1 1   11   52    7 o   29.059   1.3253  849.376   67.650  875.931   80.880  787.526  123.434   29.923   1.3924   28.194   2.2553 1.729088 2.650530 
1 1 1   11   52    8 o   11.305   2.4050  107.673   58.872   48.110   72.843  219.853   99.967   8.2601   3.1945   14.350   3.5959 -6.090168 4.809973 
1 1 1   11   52    9 o   22.731   1.5054  512.851   63.663  511.378   79.448  515.495  106.416   22.761   1.7982   22.700   2.4150 0.6064224E-01 3.010877 
1 1 1   11   52   10 o   32.038   1.2852  1067.83   73.178  1166.49   89.936  874.550  125.879   34.481   1.3437   29.594   2.1912 4.887123 2.570364 
1 1 1   11   52   11 o   11.771   2.6169  127.392   63.598   89.839   76.332  212.637  115.005   9.6347   3.3419   13.907   4.0280 -4.271959 5.233858 
1 1 1   11   52   12 o   13.422   2.4566  181.109   63.856  129.922   79.960  271.229  106.097   11.064   3.3969   15.779   3.5497 -4.714831 4.913198 
1 1 1   11   52   13 o   12.685   2.6609  175.951   67.778  174.170   82.900  179.542  117.707   12.627   3.3333   12.743   4.1487 -0.1163025 5.321899 
1 1 1   11   52   14 o   14.402   2.5260  213.822   68.484  162.904   84.563  310.867  116.743   12.143   3.4341   16.661   3.7055 -4.517424 5.052086 
1 1 1   11   52   15 o   7.7041   2.4089 -52.7955   70.432 -118.6598   87.184   70.948  119.501   5.5785   2.6906   9.8298   3.9964 -4.251390 4.817715 
1 1 1   11   52   16 o   12.903   2.6448  188.985   68.675  172.615   87.443  215.333  110.941   12.302   3.4966   13.503   3.9692 -1.201233 5.289674 
1 1 1   11   53    0 o   8.1252   2.3426  -7.2573   46.486 -29.8017   50.899  106.088  114.129   5.1428   2.3370   11.108   4.0607 -5.964772 4.685213 
1 1 1   11   53    1 o   37.131   1.0724  1368.06   69.089  1394.00   81.623  1302.49  129.747   37.824   1.1117   36.439   1.8343 1.385113 2.144881 
1 1 1   11   53    2 o   36.680   1.0945  1341.41   71.514  1382.76   86.304  1250.80  127.750   37.659   1.1806   35.701   1.8434 1.958138 2.189029 
1 1 1   11   53    3 f   8.9265   2.4568   44.357   60.405   17.560   76.544   88.594   98.348   7.6066   3.1563   10.246   3.7659 -2.639683 4.913687 
1 1 1   11   53    4 o   35.689   1.0812  1233.71   69.885  1211.27   84.422  1282.58  124.569   35.230   1.2345   36.147   1.7753 -0.9170799 2.162301 
1 1 1   11   53    5 o   34.997   1.0293  1202.62   65.031  1209.53   78.795  1187.85  115.166   35.209   1.1529   34.785   1.7056 0.4244080 2.058646 
1 1 1   11   53    6 o   23.682   1.5307  552.935   65.366  548.357   78.899  562.955  116.718   23.615   1.7212   23.749   2.5318 -0.1341400 3.061425 
1 1 1   11   53    7 o   27.491   1.4224  743.781   69.428  737.331   82.775  759.085  127.507   27.399   1.5563   27.582   2.3814 -0.1834621 2.844882 
1 1 1   11   53    8 o   25.649   1.4964  662.011   67.126  673.073   79.749  635.125  124.327   26.159   1.5705   25.140   2.5476 1.018751 2.992827 
1 1 1   11   53    9 o   29.009   1.2145  842.064   66.100  876.686   84.431  787.241  106.243   29.861   1.4566   28.157   1.9438 1.704582 2.428980 
1 1 1   11   53   10 o   12.350   2.5725  168.318   65.501  188.103   80.541  129.671  112.567   13.264   3.1711   11.437   4.0515 1.826782 5.144957 
1 1 1   11   53   11 o   21.539   1.6947  455.551   65.131  436.909   77.431  500.647  120.431   20.957   1.9033   22.121   2.8045 -1.164078 3.389412 
1 1 1   11   53   12 o   36.768   1.0936  1330.12   74.751  1314.31   92.971  1359.03  125.716   36.555   1.3102   36.980   1.7513 -0.4253120 2.187145 
1 1 1   11   53   13 o   18.863   2.0464  344.098   70.380  273.200   85.706  490.891  123.325   16.026   2.8599   21.699   2.9278 -5.673145 4.092829 
1 1 1   11   53   14 o   9.7635   2.4625   57.619   66.980 -35.4312   88.144  184.775  103.039   6.7792   3.0787   12.748   3.8443 -5.968632 4.925089 
1 1 1   11   53   15 o   12.249   2.6402  177.462   71.053  215.164   89.951  114.906  115.867   13.810   3.3823   10.688   4.0549 3.122041 5.280361 
1 1 1   11   53   16 o   8.5378   2.5303   40.188   69.808   32.989   91.670   50.126  107.702   8.1348   3.4204   8.9408   3.7297 -0.8060398 5.060633 
1 1 1   11   54    0 o   30.360   1.1892  939.134   52.528  958.648   57.972  849.635  124.152   31.378   0.9518   29.342   2.1797 2.035549 2.378452 
1 1 1   11   54    1 o   30.038   1.2263  842.793   62.951  799.153   72.514  976.290  126.829   28.606   1.3059   31.471   2.0761 -2.864582 2.452632 
1 1 1   11   54    2 o   32.578   1.2802  1072.33   70.460  1105.31   82.305  981.849  136.326   33.645   1.2602   31.510   2.2287 2.134651 2.560355 
1 1 1   11   54    3 o   26.728   1.4399  699.703   68.040  692.212   80.816  717.938  126.088   26.574   1.5667   26.881   2.4163 -0.3074856 2.879785 
1 1 1   11   54    4 o   15.427   2.2773  202.468   64.366  124.879   75.992  399.458  121.084   10.996   3.2981   19.858   3.1411 -8.862888 4.554555 
1 1 1   11   54    5 o   12.077   2.5133  121.399   62.071   64.920   74.194  253.125  113.308   8.8229   3.2660   15.332   3.8209 -6.508611 5.026532 
1 1 1   11   54    6 o   38.159   1.0828  1441.07   74.533  1459.85   90.444  1401.33  131.575   38.637   1.2059   37.681   1.7988 0.9554634 2.165623 
1 1 1   11   54    7 o   8.3153   2.5955 -17.1140   81.646 -19.8785  122.243 -14.8876  109.702   8.4966   3.7582   8.1340   3.5808 0.3626089 5.191011 
1 1 1   11   54    8 o   27.254   1.3829  724.913   66.994  705.814   79.619  771.226  123.982   26.772   1.5320   27.735   2.3028 -0.9631729 2.765884 
1 1 1   11   54    9 o   20.368   1.9357  450.752   66.503  492.634   80.845  363.103  116.954   22.285   1.8688   18.450   3.3904 3.834929 3.871341 
1 1 1   11   54   10 o   45.868   0.9617  2093.32   81.637  2156.20  102.087  1981.80  135.964   46.928   1.1207   44.807   1.5632 2.121212 1.923393 
1 1 1   11   54   11 o   35.071   1.1960  1197.95   77.040  1152.82   93.977  1290.42  134.525   34.197   1.4157   35.945   1.9280 -1.747440 2.391922 
1 1 1   11   54   12 o   31.691   1.2723  1005.25   72.352  1010.92   87.330  992.845  129.199   32.002   1.4058   31.381   2.1209 0.6209621 2.544544 
1 1 1   11   54   13 o   22.267   1.7171  513.164   69.551  524.226   85.462  491.467  119.685   22.844   1.9273   21.691   2.8425 1.152533 3.434243 
1 1 1   11   54   14 o   20.346   2.1017  473.598   73.578  556.913   93.617  338.969  119.003   23.433   2.0581   17.260   3.6650 6.172344 4.203368 
1 1 1   11   54   15 o   14.166   2.6249  240.473   72.537  260.230   91.275  206.607  119.502   15.252   3.1856   13.080   4.1729 2.171865 5.249887 
1 1 1   11   55    0 o   13.036   2.2311  165.263   45.167  161.013   49.419  186.824  111.315   12.771   1.9934   13.301   3.9922 -0.5299044 4.462224 
1 1 1   11   55    1 o   37.157   0.9340  1352.82   55.470  1354.67   62.709  1346.18  118.927   37.297   0.8661   37.016   1.6551 0.2807083 1.868040 
1 1 1   11   55    2 f   20.543   1.5982  422.631   61.677  433.017   78.571  405.955   99.559   20.939   1.9330   20.147   2.5457 0.7920322 3.196406 
1 1 1   11   55    3 o   40.595   1.0164  1633.72   75.970  1674.91   94.314  1557.62  128.200   41.400   1.1736   39.790   1.6598 1.610207 2.032753 
1 1 1   11   55    4 o   19.140   1.9510  361.065   66.216  348.801   78.481  391.365  123.357   18.731   2.1585   19.549   3.2507 -0.8179760 3.902080 
1 1 1   11   55    5 o   32.846   1.2220  1090.08   69.418  1123.41   82.174  1007.01  129.725   33.873   1.2497   31.819   2.1003 2.054247 2.443953 
1 1 1   11   55    6 o   18.953   2.1827  408.780   67.879  458.937   81.530  295.473  122.540   21.497   1.9538   16.409   3.9038 5.087303 4.365406 
1 1 1   11   55    7 o   33.879   1.0742  1122.27   68.714  1097.22   87.128  1163.48  111.762   33.435   1.3424   34.323   1.6774 -0.8880539 2.148442 
1 1 1   11   55    8 o   28.071   1.3385  770.590   69.877  742.242   86.474  823.930  118.619   27.421   1.6245   28.720   2.1277 -1.298180 2.676979 
1 1 1   11   55    9 o   7.8901   2.3884   11.866   64.287   41.742   76.637 -59.0760  118.095   8.1008   3.2329   7.6794   3.5165 0.4213943 4.776749 
1 1 1   11   55   10 o   37.184   1.1520  1411.10   78.150  1506.02   97.410  1239.65  130.918   39.137   1.2822   35.231   1.9143 3.906517 2.304036 
1 1 1   11   55   11 o   27.565   1.4491  783.896   72.877  829.604   90.687  700.564  122.449   28.911   1.6159   26.218   2.4060 2.693514 2.898252 
1 1 1   11   55   12 o   26.924   1.4972  713.880   73.982  675.721   89.947  793.682  130.076   26.000   1.7822   27.847   2.4063 -1.847607 2.994383 
1 1 1   11   55   13 o   8.2083   2.4428   25.150   68.400   64.856   86.697 -40.3103  111.319   8.8716   3.4700   7.5450   3.4393 1.326514 4.885678 
1 1 1   11   55   14 f   19.720   2.0626  388.617   74.316  288.640   92.227  573.716  125.491   16.178   3.0486   23.262   2.7791 -7.083479 4.125179 
1 1 1   11   56    0 o   13.552   2.2622  216.817   49.956  235.833   55.226  131.201  117.183   15.454   1.8410   11.650   4.1330 3.804080 4.524483 
1 1 1   11   56    1 o   7.5594   2.3082 -34.9136   50.018 -61.1861   55.416   80.577  116.186   4.7882   2.2632   10.331   4.0236 -5.542381 4.616385 
1 1 1   11   56    2 o   20.213   1.7774  376.653   64.791  325.913   76.521  505.156  121.776   18.090   2.1791   22.335   2.8087 -4.244877 3.554899 
1 1 1   11   56    3 o   12.287   2.6225  153.372   64.687  136.026   78.862  189.044  113.090   11.349   3.3495   13.226   4.0361 -1.877431 5.244974 
1 1 1   11   56    4 o   24.409   1.4274  570.961   63.768  530.924   77.024  658.190  113.692   23.182   1.7116   25.636   2.2847 -2.453743 2.854716 
1 1 1   11   56    5 o   6.7473   2.1719 -43.9490   62.306  -3.6677   74.968 -133.9133  112.036   6.9334   3.0076   6.5612   3.1342 0.3722191 4.343859 
1 1 1   11   56    6 o   8.6274   2.5121   38.752   64.419   50.604   76.647   10.238  118.885   8.3912   3.2681   8.8636   3.8162 -0.4724083 5.024296 
1 1 1   11   56    7 o   19.056   1.9517  363.107   67.602  349.454   81.731  392.679  120.285   18.656   2.2569   19.457   3.1848 -0.8010921 3.903362 
1 1 1   11   56    8 f   27.513   1.2708  759.352   65.965  785.030   84.823  720.056  104.931   28.190   1.5501   26.837   2.0142 1.353073 2.541651 
1 1 1   11   56    9 o   10.911   2.5303   81.396   61.562   22.049   72.370  236.765  117.097   7.3799   3.0662   14.441   4.0260 -7.061332 5.060668 
1 1 1   11   56   10 o   18.758   2.0142  345.468   68.639  311.033   82.019  425.949  125.388   17.459   2.4201   20.057   3.2205 -2.598284 4.028465 
1 1 1   11   56   11 o   10.965   2.6404  114.134   68.427   62.260   87.689  194.904  109.419   8.8805   3.4852   13.049   3.9674 -4.168406 5.280807 
1 1 1   11   56   12 o   16.654   2.4390  345.518   75.417  439.117   94.927  185.333  124.184   20.672   2.3656   12.636   4.2660 8.036059 4.877932 
1 1 1   11   56   13 o   17.184   2.2441  332.245   70.994  364.451   92.624  286.377  110.536   18.667   2.5562   15.702   3.6891 2.964768 4.488142 
1 1 1   11   57    0 o   19.301   1.4873  341.953   47.256  318.269   53.297  429.012  102.185   17.982   1.5269   20.621   2.5528 -2.639074 2.974576 
1 1 1   11   57    1 o   14.439   2.0661  238.154   49.867  262.654   58.280  171.190   96.350   16.281   1.8441   12.598   3.6978 3.682642 4.132107 
1 1 1   11   57    2 o   14.609   2.3933  226.587   63.392  221.682   77.102  236.819  111.366   14.534   2.8347   14.685   3.8570 -0.1508837 4.786655 
1 1 1   11   57    3 o   24.484   1.5627  552.986   68.014  491.357   79.607  719.567  130.879   22.266   1.8418   26.703   2.5249 -4.437059 3.125302 
1 1 1   11   57    4 o   22.167   1.7050  447.554   68.523  372.299   81.125  634.930  128.010   19.301   2.1653   25.033   2.6343 -5.732000 3.409960 
1 1 1   11   57    5 o   38.160   1.0649  1477.93   72.245  1551.02   87.579  1322.28  127.808   39.805   1.1334   36.516   1.8031 3.289165 2.129731 
1 1 1   11   57    6 o   17.472   1.8973  303.882   62.645  279.521   78.779  345.781  103.316   16.617   2.4422   18.327   2.9041 -1.709429 3.794506 
1 1 1   11   57    7 o   15.925   2.3990  276.745   68.717  284.706   83.344  259.844  121.440   16.704   2.5704   15.146   4.0514 1.557529 4.797980 
1 1 1   11   57    8 o   20.998   1.8524  442.387   70.381  425.008   84.736  481.050  126.385   20.542   2.1250   21.453   3.0349 -0.9110699 3.704858 
1 1 1   11   57    9 o   7.8409   2.4406  -3.4838   69.335  -1.1082   86.065  -7.8763  117.030   7.3550   3.2063   8.3267   3.6804 -0.9717093 4.881181 
1 1 1   11   57   10 o   21.130   1.8452  438.749   70.686  400.367   84.465  528.461  129.133   19.857   2.1913   22.403   2.9693 -2.546684 3.690344 
1 1 1   11   57   11 o   21.748   1.8029  501.339   72.197  531.057   90.928  450.644  118.761   22.889   2.0465   20.607   2.9689 2.281963 3.605871 
1 1 1   11   57   12 o   22.987   1.7264  560.679   73.754  598.378   94.150  500.798  118.659   24.260   1.9992   21.715   2.8150 2.544823 3.452702 
1 1 1   11   58    0 o   14.163   2.2987  167.107   50.350  137.769   55.244  311.038  122.362   11.473   2.5470   16.853   3.8275 -5.380358 4.597456 
1 1 1   11   58    1 o   32.109   1.1176  979.159   56.233  954.073   62.736  1081.68  126.827   31.246   1.0343   32.973   1.9815 -1.726545 2.235220 
1 1 1   11   58    2 o   39.494   0.9649  1541.39   60.586  1548.26   68.428  1516.49  130.339   39.837   0.8849   39.151   1.7150 0.6863518 1.929841 
1 1 1   11   58    3 o   19.429   1.7610  362.798   64.579  301.344   80.660  472.532  107.784   17.280   2.4047   21.578   2.5732 -4.298626 3.521907 
1 1 1   11   58    4 o   18.610   2.1448  391.236   66.890  437.651   81.278  293.821  117.749   20.933   2.0002   16.287   3.7947 4.645412 4.289576 
1 1 1   11   58    5 o   14.954   2.3952  247.008   62.254  255.764   72.349  222.035  122.185   15.900   2.3441   14.008   4.1777 1.892383 4.790380 
1 1 1   11   58    6 o   12.808   2.4852  194.539   64.561  229.232   77.160  113.553  117.891   14.697   2.8070   10.919   4.1020 3.777402 4.970480 
1 1 1   11   58    7 o   18.752   2.0150  331.886   68.016  235.105   82.795  532.760  119.282   14.784   2.9879   22.721   2.7045 -7.937239 4.030074 
1 1 1   11   58    8 o   9.2556   2.6281   32.365   70.877 -18.8527   86.492  137.071  123.666   7.0174   3.1293   11.494   4.2232 -4.476493 5.256204 
1 1 1   11   58    9 f   12.606   2.7089  178.493   69.886  173.949   86.201  187.208  119.375   12.457   3.4477   12.756   4.1792 -0.2989197 5.417828 
1 1 1   11   58   10 o   12.518   2.5147  159.176   63.876  102.354   79.193  264.974  108.061   9.8610   3.4049   15.175   3.7015 -5.313698 5.029350 
1 1 1   11   58   11 o   10.155   2.6947  105.967   71.580  123.194   88.189   72.704  122.545   10.555   3.5948   9.7539   4.0154 0.8013258 5.389437 
1 1 1   11   59    0 o   18.543   1.7306  309.969   52.239  281.461   58.446  423.208  116.485   16.836   1.7883   20.250   2.9634 -3.413731 3.461183 
1 1 1   11   59    1 o   36.618   1.0526  1331.41   60.419  1337.68   67.914  1307.60  132.306   37.002   0.9455   36.234   1.8810 0.7681198 2.105290 
1 1 1   11   59    2 o   18.971   1.8068  321.495   53.993  292.759   59.694  450.728  126.593   17.159   1.7922   20.783   3.1378 -3.624672 3.613590 
1 1 1   11   59    3 o   34.553   1.2612  1233.01   77.032  1309.19   93.416  1071.16  136.169   36.477   1.3193   32.630   2.1498 3.846653 2.522324 
1 1 1   11   59    4 o   8.0508   2.3867   9.4325   63.393 -32.1545   82.039   71.062   99.870   6.6165   2.9908   9.4851   3.7203 -2.868608 4.773461 
1 1 1   11   59    5 o   9.0162   2.1601   44.142   64.214  162.762   77.521 -215.1857  114.622   12.193   3.2255   5.8398   2.8740 6.352911 4.320133 
1 1 1   11   59    6 o   17.487   2.2801  313.801   71.040  286.004   85.523  375.668  127.589   16.648   2.6463   18.326   3.7137 -1.678171 4.560127 
1 1 1   11   59    7 o   24.649   1.6292  636.327   71.992  669.129   88.122  570.504  124.833   25.880   1.7541   23.419   2.7460 2.461761 3.258446 
1 1 1   11   59    8 o   6.9976   2.2572 -39.9912   67.886 -23.1443   90.073 -62.1444  103.289   7.0452   3.1638   6.9501   3.2204 0.9512091E-01 4.514475 
1 1 1   11   59    9 o   7.7509   2.3995  -2.3656   70.830   41.802   88.670 -80.2356  117.736   8.3003   3.4162   7.2015   3.3706 1.098808 4.799087 
1 1 1   11   59   10 o   8.2063   2.4664   20.391   68.166 -11.4542   88.572   66.656  106.758   7.1279   3.1735   9.2847   3.7763 -2.156791 4.932733 
1 1 1   11   60    0 o   8.7278   2.5307   39.532   54.333   31.989   59.765   75.456  130.427   7.1637   2.8562   10.292   4.1786 -3.128130 5.061440 
1 1 1   11   60    1 o   22.826   1.5020  461.325   54.611  419.195   60.578  644.132  126.186   20.585   1.5160   25.066   2.5933 -4.480808 3.003925 
1 1 1   11   60    2 o   23.777   1.5105  584.715   56.576  596.314   64.060  543.593  120.618   24.598   1.3416   22.957   2.7067 1.641291 3.020939 
1 1 1   11   60    3 o   11.856   2.7263  138.918   69.528   99.979   85.129  216.931  120.496   9.9744   3.5244   13.738   4.1604 -3.763648 5.452546 
1 1 1   11   60    4 o   19.831   2.1830  437.169   72.908  466.363   87.866  372.643  130.630   21.491   2.1062   18.171   3.8244 3.319750 4.366057 
1 1 1   11   60    5 o   8.0263   2.4256   20.561   63.401   25.871   76.387   8.8038  113.669   7.5789   3.1496   8.4736   3.6896 -0.8946657 4.851103 
1 1 1   11   60    6 o   6.1790   2.0910 -144.0194   66.587 -211.3026   83.167 -23.8707  111.136   4.5456   2.2722   7.8123   3.5108 -3.266730 4.181923 
1 1 1   11   60    7 o   10.665   2.7603  106.403   71.265   76.316   86.906  168.168  124.519   9.1833   3.5051   12.146   4.2652 -2.962847 5.520693 
1 1 1   11   60    8 o   7.0403   2.2720 -81.3319   69.252 -156.4002   88.049   40.428  112.137   5.1913   2.5476   8.8893   3.7627 -3.698065 4.544026 
1 1 1   11   60    9 o   13.008   2.6982  204.226   73.159  227.232   93.029  166.937  118.435   14.074   3.4353   11.943   4.1616 2.130915 5.396356 
1 1 1   11   61    0 o   46.405   0.9299  2183.35   70.174  2237.61   80.421  2010.18  143.658   47.852   0.8658   44.959   1.6461 2.893337 1.859888 
1 1 1   11   61    1 o   8.0108   2.2996   41.213   54.772   71.764   60.476 -98.2112  129.193   8.5488   2.9741   7.4728   3.5081 1.076062 4.599174 
1 1 1   11   61    2 o   14.205   2.1450  123.817   54.640   47.278   60.594  456.845  126.395   7.6574   2.9258   20.752   3.1376 -13.09501 4.290076 
1 1 1   11   61    3 o   8.0835   2.2807   48.232   50.521   61.035   57.988   7.8976  102.924   8.0673   2.9025   8.0997   3.5188 -0.3237724E-01 4.561442 
1 1 1   11   61    4 o   12.788   2.6746  182.281   68.867  168.434   85.759  207.425  115.560   12.242   3.4570   13.334   4.0820 -1.091818 5.349164 
1 1 1   11   61    5 o   14.287   2.5992  218.316   66.936  194.931   78.764  279.117  127.004   13.270   3.1116   15.304   4.1641 -2.034063 5.198310 
1 1 1   11   61    6 o   13.700   2.6646  199.804   71.540  144.923   88.232  305.130  122.230   11.316   3.5830   16.083   3.9450 -4.766572 5.329255 
1 1 1   11   61    7 o   14.351   2.2463  267.677   68.125  382.531   85.529   68.344  112.675   19.252   2.2887   9.4513   3.8658 9.800165 4.492517 
1 1 1   11   62    0 o   11.058   2.6325   91.242   54.987   60.700   60.588  233.896  130.943   8.1051   2.9594   14.010   4.3546 -5.905307 5.264969 
1 1 1   11   62    1 o   31.904   1.0689  1005.52   58.042  999.234   67.444  1023.47  113.967   31.891   1.0895   31.918   1.8394 -0.2779770E-01 2.137822 
1 1 1   11   62    2 f   9.5742   2.5543   67.082   55.212   46.073   62.196  145.175  119.915   7.6280   2.9514   11.520   4.1699 -3.892422 5.108661 
1 1 1   11   62    3 o   7.8509   2.4133   16.213   55.516   14.236   61.581   24.797  128.291   6.6405   2.7983   9.0613   3.9326 -2.420803 4.826578 
1 1 1   11   62    4 o   7.5134   2.3981 -19.8094   70.299 -19.2515   85.954 -20.9365  122.174   6.9015   3.0955   8.1254   3.6635 -1.223884 4.796157 
1 1 1   11   62    5 o   9.1097   2.5401   71.702   65.712   84.367   83.088   50.550  107.374   9.2705   3.4513   8.9488   3.7278 0.3216305 5.080162 
1 1 1   11   63    0 o   8.9886   2.4641   58.076   52.664   41.596   59.628  116.522  112.293   7.3658   2.8787   10.611   4.0001 -3.245586 4.928201 
1 1 1   11   63    1 o   9.3779   2.5696   70.446   54.661   61.008   60.468  112.618  127.823   8.0538   2.9540   10.702   4.2053 -2.648293 5.139162 
1 1 1   11   63    2 o   7.6692   2.3755   12.012   55.902   10.520   62.545   17.936  124.648   6.5572   2.7941   8.7812   3.8425 -2.224053 4.750975 
1 1 1   11   63    3 o   8.5874   2.4292   56.301   54.617   54.007   62.578   63.637  111.898   7.8510   2.9796   9.3237   3.8375 -1.472662 4.858483 
1 1 1   12    0    0 o  192.372   1.7501 35946.55  653.258 35807.77  926.904 36083.51  920.820  192.002   2.4879  192.741   2.4620 -0.000000 0.000000 
1 1 1   12    0    1 f   64.092   0.8552  3991.66  106.310  4023.74  150.137  3959.40  150.553   64.351   1.2028   63.833   1.2160 -0.000000 0.000000 
1 1 1   12    0    2 o  440.299   2.8903 187943.41  2430.10 190663.50  3805.20 186070.00  3157.97  442.944   4.4265  437.654   3.7178 -0.000000 0.000000 
1 1 1   12    0    3 o  146.832   1.3856 20910.63  390.297 20744.96  513.675 21136.89  600.325  146.152   1.8112  147.512   2.0975 -0.000000 0.000000 
1 1 1   12    0    4 o  237.102   1.8058 54483.48  810.816 54075.47  1036.83 55125.79  1300.92  235.977   2.2639  238.226   2.8141 -0.000000 0.000000 
1 1 1   12    0    5 o  226.423   1.7424 49829.54  749.835 49969.48  967.963 49619.54  1185.72  226.837   2.1987  226.009   2.7035 -0.000000 0.000000 
1 1 1   12    0    6 o   72.438   0.9235  5100.11  129.682  5147.68  180.668  5049.55  186.255   72.789   1.2795   72.088   1.3320 -0.000000 0.000000 
1 1 1   12    0    7 o  285.330   1.9710 79050.35  1060.35 78932.88  1347.79 79241.16  1717.72  285.081   2.4359  285.579   3.0994 -0.000000 0.000000 
1 1 1   12    0    8 o  109.686   1.2285 11690.35  261.378 11971.33  370.082 11410.70  369.207  111.004   1.7184  108.369   1.7561 -0.000000 0.000000 
1 1 1   12    0    9 o   51.538   4.0201  2519.35  344.780  2348.90  398.333  3028.52  688.443   48.581   4.3015   54.496   6.7929 -0.000000 0.000000 
1 1 1   12    0   10 o  139.561   1.4033 18926.23  376.685 18936.48  500.895 18912.88  571.484  139.615   1.8489  139.508   2.1114 -0.000000 0.000000 
1 1 1   12    0   11 o  150.810   1.5563 22105.97  455.281 22220.77  637.596 21986.55  650.323  151.212   2.1732  150.408   2.2285 -0.000000 0.000000 
1 1 1   12    0   12 o   24.705   1.3008  588.777   60.538  533.152   77.456  676.099   97.047   23.238   1.7395   26.172   1.9345 -0.000000 0.000000 
1 1 1   12    0   13 o   83.417   1.1003  6768.65  177.806  7166.73  251.898  6373.36  251.015   85.869   1.5123   80.965   1.5985 -0.000000 0.000000 
1 1 1   12    0   14 o  154.542   1.4732 23215.88  441.542 23156.86  614.594 23278.84  634.762  154.342   2.0522  154.741   2.1141 -0.000000 0.000000 
1 1 1   12    0   15 o  184.256   1.6045 33019.64  573.477 33246.17  801.562 32782.10  820.820  184.909   2.2339  183.603   2.3039 -0.000000 0.000000 
1 1 1   12    0   16 o   11.589   3.1275  175.715   64.809  172.481   80.805  181.547  108.509   11.705   3.9704   11.472   4.8333 -0.000000 0.000000 
1 1 1   12    0   17 o   4.2247   2.1066 -121.9983   69.995 -65.2135   87.115 -225.4299  117.572   4.4370   3.0562   4.0124   2.9002 -0.000000 0.000000 
1 1 1   12    0   18 o   19.529   2.1965  402.033   75.518  432.077  102.468  366.312  111.728   20.562   2.6956   18.497   3.4687 -0.000000 0.000000 
1 1 1   12    0   19 o  138.137   1.7331 18590.02  464.332 18581.20  651.279 18599.14  662.186  138.108   2.4310  138.167   2.4707 -0.000000 0.000000 
1 1 1   12    0   20 o   43.175   1.2476  1849.36  102.354  2026.56  137.278  1627.53  153.594   45.584   1.5555   40.767   1.9511 -0.000000 0.000000 
1 1 1   12    0   21 o   22.669   2.3694  516.574  101.657  516.574  101.657   0.0000   0.0000   22.669   2.3694   22.669   2.3694 -0.000000 0.000000 
1 1 1   12    0   22 o   34.331   1.4426  1159.61   94.182  1158.65  123.938  1160.92  144.889   34.351   1.8713   34.310   2.1961 -0.000000 0.000000 
1 1 1   12    0   23 o   62.257   1.1404  3778.78  137.531  3739.39  190.799  3821.37  198.420   61.923   1.5897   62.591   1.6356 -0.000000 0.000000 
1 1 1   12    0   24 o   78.076   1.7517  5952.33  265.192   0.0000   0.0000  5952.33  265.192   78.076   1.7517   78.076   1.7517 -0.000000 0.000000 
1 1 1   12    0   25 o   8.9416   3.2918  117.913   78.461  148.904   98.231   63.297  130.404   10.110   4.6092   7.7736   4.7010 -0.000000 0.000000 
1 1 1   12    0   26 o   28.152   1.6821  796.484   88.441  794.019  114.064  800.201  140.048   28.201   2.1108   28.102   2.6196 -0.000000 0.000000 
1 1 1   12    0   27 o   23.866   2.1124  592.530   92.931  588.817  124.259  597.242  139.991   23.885   2.7781   23.847   3.1830 -0.000000 0.000000 
1 1 1   12    0   28 o   10.202   3.3034  150.338   94.623  260.455  120.821 -24.3418  152.173   13.812   4.9357   6.5916   4.3919 -0.000000 0.000000 
1 1 1   12    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1    0 o  377.863   1.8415 138628.00  1350.53 136954.41  1889.20 140377.20  1931.39  375.532   2.5916  380.194   2.6170 -4.661621 3.683051 
1 1 1   12    1    1 o  316.395   1.5940 97182.63  978.880 95835.09  1370.61 98585.55  1398.50  314.157   2.2475  318.632   2.2610 -4.475372 3.188042 
1 1 1   12    1    2 o  329.609   1.6210 105498.50  1037.14 105145.80  1463.40 105854.50  1470.11  329.056   2.2910  330.163   2.2938 -1.106812 3.241954 
1 1 1   12    1    3 o  127.113   0.9365 15697.55  230.752 15941.15  319.253 15431.07  333.905  128.147   1.2834  126.079   1.3643 2.068161 1.873094 
1 1 1   12    1    4 o  205.432   1.1778 40971.70  469.698 40822.02  663.743 41121.84  664.764  205.056   1.6675  205.808   1.6639 -0.7517548 2.355681 
1 1 1   12    1    5 o  179.773   1.1069 31375.14  386.276 31012.48  544.488 31742.61  548.083  178.727   1.5694  180.819   1.5615 -2.091888 2.213876 
1 1 1   12    1    6 o   61.819   0.8507  3710.02  102.076  3756.36  144.473  3663.83  144.241   62.205   1.1965   61.434   1.2095 0.7710495 1.701311 
1 1 1   12    1    7 o  100.819   0.7982  9867.24  156.211  9759.26  220.492  9976.05  221.343  100.265   1.1329  101.373   1.1248 -1.107674 1.596428 
1 1 1   12    1    8 o   97.896   0.7928  9303.82  150.652  9426.62  213.613  9182.30  212.499   98.539   1.1167   97.254   1.1256 1.285522 1.585593 
1 1 1   12    1    9 o  104.606   0.8241 10624.19  167.326 10649.09  235.736 10598.91  237.544  104.730   1.1596  104.482   1.1712 0.2473755 1.648121 
1 1 1   12    1   10 o  190.661   1.2138 35354.00  447.972 35988.52  614.018 34631.88  655.026  192.498   1.6432  188.824   1.7870 3.674042 2.427680 
1 1 1   12    1   11 f  183.510   1.1500 32708.04  409.637 32902.57  581.837 32516.85  576.823  184.051   1.6285  182.969   1.6241 1.081650 2.299929 
1 1 1   12    1   12 o  102.869   0.8656 10276.80  172.848 10337.68  243.987 10215.46  244.903  103.175   1.2182  102.563   1.2301 0.6122971 1.731245 
1 1 1   12    1   13 o  125.509   0.9111 15300.13  221.978 15304.70  313.371 15295.51  314.480  125.528   1.2860  125.490   1.2910 0.3804016E-01 1.822224 
1 1 1   12    1   14 o   89.209   0.7853  7729.14  135.978  7701.23  192.993  7756.65  191.619   89.049   1.1165   89.370   1.1045 -0.3203659 1.570516 
1 1 1   12    1   15 o   81.553   0.7736  6459.33  122.462  6413.07  172.547  6506.29  173.835   81.259   1.0939   81.847   1.0941 -0.5884705 1.547158 
1 1 1   12    1   16 o   43.672   0.6998  1850.69   59.291  1900.43   85.528  1804.67   82.268   44.236   0.9960   43.107   0.9831 1.128563 1.399504 
1 1 1   12    1   17 o   41.822   0.7700  1699.22   62.501  1669.79   88.572  1728.41   88.208   41.460   1.1005   42.183   1.0772 -0.7221565 1.539989 
1 1 1   12    1   18 o   65.205   0.7460  4128.72   94.405  4049.76  131.935  4211.56  135.141   64.567   1.0527   65.844   1.0573 -1.276993 1.491980 
1 1 1   12    1   19 o   39.801   0.8251  1539.72   63.731  1500.26   90.142  1579.15   90.117   39.290   1.1819   40.311   1.1516 -1.021008 1.650201 
1 1 1   12    1   20 o   65.712   0.9304  4179.81  113.325  4264.56  192.035  4134.53  140.374   66.202   1.4943   65.222   1.1087 0.9802551 1.860710 
1 1 1   12    1   21 o   42.395   0.8360  1743.80   68.722  1832.45  100.036  1664.58   94.568   43.413   1.1871   41.378   1.1774 2.035767 1.671919 
1 1 1   12    1   22 o   39.733   1.1054  1551.92   80.049  1578.84   98.105  1498.29  138.464   40.281   1.2547   39.185   1.8203 1.095806 2.210838 
1 1 1   12    1   23 o   63.920   1.0132  4002.99  117.433  4038.67  142.926  3928.86  206.017   64.413   1.1431   63.427   1.6733 0.9858818 2.026414 
1 1 1   12    1   24 o   33.378   1.0274  1070.10   66.012  1253.52  101.230  934.404   87.072   35.825   1.4556   30.931   1.4502 4.893709 2.054714 
1 1 1   12    1   25 o   37.108   1.2018  1339.07   79.160  1381.84  146.014  1321.26   94.206   37.443   2.0089   36.773   1.3197 0.6697464 2.403639 
1 1 1   12    1   26 o   10.019   2.4711   94.873   59.042   80.869   80.218  111.427   87.215   9.4561   3.4124   10.581   3.5750 -1.124951 4.942178 
1 1 1   12    1   27 o   13.702   2.3764  203.763   63.566  249.434   89.547  157.374   90.249   15.313   3.1184   12.092   3.5868 3.221247 4.752876 
1 1 1   12    1   28 o   30.195   1.1725  904.737   68.675  953.913   98.600  858.406   95.706   30.999   1.6386   29.391   1.6775 1.608482 2.344988 
1 1 1   12    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2    0 o  143.589   1.0225 20015.30  284.989 19845.19  403.096 20185.31  402.975  142.979   1.4524  144.199   1.4396 -1.220261 2.044961 
1 1 1   12    2    1 o  307.856   1.5674 92027.07  936.698 92464.88  1328.41 91594.13  1321.00  308.585   2.2176  307.128   2.2157 1.456299 3.134879 
1 1 1   12    2    2 o  199.969   1.2877 38819.53  499.811 38450.07  701.958 39199.46  711.825  199.004   1.8171  200.934   1.8250 -1.929688 2.575348 
1 1 1   12    2    3 o  417.601   1.7797 169093.09  1413.20 168036.30  1820.76 170694.59  2241.28  415.987   2.2548  419.215   2.7542 -3.228088 3.559448 
1 1 1   12    2    4 o  352.680   1.4479 120769.50  991.203 120292.30  1395.92 121254.70  1407.70  351.978   2.0431  353.383   2.0521 -1.404602 2.895721 
1 1 1   12    2    5 o   70.480   0.6417  4819.55   87.761  4750.54  121.996  4893.56  126.344   69.957   0.8984   71.002   0.9167 -1.045059 1.283487 
1 1 1   12    2    6 o  203.808   1.1586 40323.63  458.335 39761.29  643.280 40903.45  653.203  202.365   1.6376  205.251   1.6394 -2.885849 2.317199 
1 1 1   12    2    7 o  310.480   1.3966 93614.63  841.710 93190.34  1185.80 94045.52  1194.97  309.771   1.9720  311.189   1.9782 -1.417572 2.793204 
1 1 1   12    2    8 o   21.317   0.9398  439.656   38.821  412.727   53.066  470.661   56.940   20.618   1.3259   22.017   1.3323 -1.399498 1.879604 
1 1 1   12    2    9 o  131.608   0.9749 16821.89  248.637 16871.23  341.928 16766.53  362.201  131.815   1.3363  131.402   1.4200 0.4131927 1.949885 
1 1 1   12    2   10 o  143.010   1.0386 19853.03  287.987 20006.96  418.263 19714.27  397.111  143.535   1.5012  142.484   1.4358 1.050583 2.077225 
1 1 1   12    2   11 o  103.175   0.8333 10335.05  166.889 10268.70  234.167 10403.53  237.911  102.839   1.1730  103.511   1.1840 -0.6725693 1.666698 
1 1 1   12    2   12 o  101.548   0.8171 10016.15  160.991  9922.98  230.456 10104.96  224.993  101.086   1.1744  102.010   1.1362 -0.9244003 1.634103 
1 1 1   12    2   13 o  173.716   1.2273 29326.14  413.798 29403.15  590.926 29252.05  579.636  173.938   1.7501  173.494   1.7211 0.4437714 2.454620 
1 1 1   12    2   14 o   82.742   0.7688  6648.57  123.481  6633.77  173.878  6663.62  175.389   82.649   1.0838   82.835   1.0908 -0.1854553 1.537637 
1 1 1   12    2   15 o   93.008   0.8173  8401.04  147.528  8469.23  211.034  8335.85  206.318   93.377   1.1643   92.640   1.1473 0.7372055 1.634552 
1 1 1   12    2   16 o   35.228   0.7791  1205.01   53.260  1191.34   74.142  1219.58   76.558   35.022   1.0906   35.434   1.1130 -0.4120598 1.558270 
1 1 1   12    2   17 o   36.336   0.8347  1281.45   58.839  1341.93   84.582  1224.75   81.905   37.166   1.1724   35.506   1.1884 1.660202 1.669338 
1 1 1   12    2   18 o   55.796   0.7406  3024.33   80.193  2923.22  112.970  3127.03  113.855   54.856   1.0609   56.737   1.0338 -1.881363 1.481272 
1 1 1   12    2   19 o   53.912   0.7578  2821.96   79.261  2951.49  113.699  2699.51  110.552   55.116   1.0627   52.709   1.0805 2.406116 1.515518 
1 1 1   12    2   20 o   39.439   0.8714  1510.89   66.630  1485.85   91.631  1538.98   97.061   39.094   1.2074   39.784   1.2568 -0.6900406 1.742826 
1 1 1   12    2   21 o   54.481   0.7951  2886.26   84.056  2957.02  118.517  2814.65  119.232   55.154   1.1070   53.808   1.1415 1.346741 1.590106 
1 1 1   12    2   22 o   29.765   1.4849  885.204   73.794  904.689   85.457  828.073  146.328   30.479   1.4444   29.051   2.5948 1.428209 2.969736 
1 1 1   12    2   23 o   67.800   0.9276  4495.73  118.062  4547.20  149.537  4410.54  192.369   68.351   1.1270   67.249   1.4736 1.101898 1.855197 
1 1 1   12    2   24 o   33.364   1.0266  1086.84   66.344  1092.99   97.203  1081.47   90.775   33.446   1.4972   33.283   1.4050 0.1635857 2.053184 
1 1 1   12    2   25 o   15.532   2.1722  249.019   63.936  335.970   92.378  169.074   88.579   18.368   2.5908   12.695   3.4873 5.672888 4.344406 
1 1 1   12    2   26 o   19.058   2.1603  331.330   73.324  513.767  137.175  258.352   86.759   22.399   3.1549   15.717   2.9522 6.682515 4.320688 
1 1 1   12    2   27 o   22.719   1.4159  511.294   62.258  566.205   91.853  464.629   84.677   23.847   1.9843   21.592   2.0202 2.254622 2.831735 
1 1 1   12    2   28 o   31.604   1.0894  984.523   66.627  1044.64   99.115  934.962   89.995   32.467   1.5726   30.741   1.5081 1.726185 2.178883 
1 1 1   12    2   29 o   30.815   1.9872  959.865  118.870   0.0000   0.0000  959.865  118.870  ?   ?    30.815   1.9872      ?      ? 
1 1 1   12    3    0 o  123.403   0.9281 14782.75  222.319 14796.57  312.768 14768.62  316.071  123.461   1.3050  123.344   1.3201 0.1168747 1.856275 
1 1 1   12    3    1 o  181.304   1.1778 31905.64  414.458 31282.40  581.555 32548.90  590.820  179.505   1.6690  183.103   1.6622 -3.597839 2.355529 
1 1 1   12    3    2 o  337.318   1.5303 110402.10  989.390 109956.50  1298.78 111018.20  1527.24  336.520   1.9882  338.117   2.3269 -1.596893 3.060609 
1 1 1   12    3    3 o  214.917   1.2743 44845.66  527.730 44855.98  704.971 44832.50  795.923  214.949   1.6896  214.884   1.9081 0.6417847E-01 2.548614 
1 1 1   12    3    4 o  122.624   0.9241 14592.18  219.491 14527.91  300.467 14665.71  321.404  122.335   1.2653  122.913   1.3471 -0.5775604 1.848104 
1 1 1   12    3    5 o  101.632   0.8117 10026.72  160.130 10071.86  226.737  9981.80  226.180  101.860   1.1467  101.404   1.1490 0.4564514 1.623343 
1 1 1   12    3    6 o  159.704   1.0297 24759.41  319.207 24528.07  448.276 24997.36  454.645  158.947   1.4529  160.460   1.4596 -1.513123 2.059448 
1 1 1   12    3    7 o  231.323   1.3971 51964.38  627.335 51303.63  883.573 52636.04  890.844  229.840   1.9804  232.806   1.9713 -2.966110 2.794240 
1 1 1   12    3    8 f   79.518   0.6954  6138.43  107.333  6155.79  151.434  6120.90  152.152   79.631   0.9797   79.405   0.9871 0.2260895 1.390721 
1 1 1   12    3    9 o   76.927   0.8031  5716.55  116.247  5630.38  146.754  5861.68  190.457   76.155   0.9927   77.698   1.2628 -1.542992 1.606252 
1 1 1   12    3   10 f  142.201   0.9954 19634.22  274.752 19517.44  385.938 19754.22  391.234  141.773   1.4024  142.630   1.4131 -0.8568726 1.990816 
1 1 1   12    3   11 o   53.753   0.6340  2805.00   66.159  2795.81   93.338  2814.28   93.788   53.664   0.8960   53.841   0.8974 -0.1769562 1.268095 
1 1 1   12    3   12 o  167.623   1.1522 27283.05  374.204 27543.36  547.467 27054.78  512.656  168.368   1.6751  166.878   1.5826 1.490463 2.304427 
1 1 1   12    3   13 o   93.878   0.8151  8561.17  148.502  8421.87  211.455  8696.73  208.601   93.123   1.1697   94.632   1.1356 -1.508987 1.630282 
1 1 1   12    3   14 o   54.623   0.6784  2894.32   71.870  2961.80  104.350  2833.43   99.129   55.228   0.9733   54.019   0.9453 1.209465 1.356866 
1 1 1   12    3   15 o   50.975   0.6686  2523.21   66.146  2527.22   94.511  2519.35   92.607   51.014   0.9544   50.935   0.9366 0.7900620E-01 1.337198 
1 1 1   12    3   16 o   59.918   0.7053  3486.11   82.027  3408.00  115.197  3566.44  116.827   59.238   1.0018   60.599   0.9931 -1.361595 1.410648 
1 1 1   12    3   17 o   89.478   0.8603  7778.25  149.420  7830.35  212.584  7727.38  210.063   89.774   1.2199   89.182   1.2134 0.5917206 1.720591 
1 1 1   12    3   18 o   48.074   0.7655  2244.51   71.424  2279.05  102.294  2211.66   99.772   48.435   1.0880   47.714   1.0772 0.7211266 1.531050 
1 1 1   12    3   19 o   26.865   1.1382  702.190   59.353  693.860   83.888  710.538   83.987   26.705   1.6183   27.025   1.6010 -0.3197384 2.276380 
1 1 1   12    3   20 o   67.548   0.7782  4433.99  102.014  4412.47  142.395  4456.69  146.219   67.380   1.0887   67.715   1.1124 -0.3347626 1.556471 
1 1 1   12    3   21 o   44.136   1.0856  1912.47   85.811  1939.10  103.475  1853.83  153.557   44.658   1.1936   43.614   1.8137 1.043461 2.171261 
1 1 1   12    3   22 o   25.614   1.2490  640.727   62.018  675.956   87.467  605.108   87.949   26.327   1.7115   24.901   1.8195 1.425621 2.497952 
1 1 1   12    3   23 o   58.172   0.7773  3293.41   87.767  3319.55  123.898  3267.08  124.345   58.404   1.0928   57.939   1.1056 0.4651871 1.554547 
1 1 1   12    3   24 o   41.305   1.0400  1656.10   80.106  1629.27   99.856  1704.54  134.175   40.874   1.2585   41.736   1.6561 -0.8614311 2.080056 
1 1 1   12    3   25 o   25.763   1.3106  657.226   65.082  597.549   94.774  710.483   89.531   24.624   1.9827   26.902   1.7145 -2.277657 2.621180 
1 1 1   12    3   26 o   29.039   1.1557  826.425   64.274  856.184  100.113  805.557   83.834   29.450   1.7512   28.628   1.5086 0.8218384 2.311381 
1 1 1   12    3   27 o   37.207   0.9942  1348.61   71.435  1489.28  107.929  1238.95   95.295   38.910   1.4289   35.505   1.3827 3.405365 1.988389 
1 1 1   12    3   28 o   10.381   2.5842  101.642   66.712  157.336   98.654   54.716   90.556   11.951   3.7892   8.8097   3.5147 3.141614 5.168312 
1 1 1   12    3   29 o   8.4188   3.7629 -13.0883  125.845   0.0000   0.0000 -13.0883  125.845  ?   ?    8.4188   3.7629      ?      ? 
1 1 1   12    4    0 o   89.355   0.7336  7745.84  127.204  7537.78  177.511  7965.46  182.375   88.122   1.0377   90.587   1.0371 -2.465439 1.467135 
1 1 1   12    4    1 o  203.565   1.2844 40231.64  507.544 40124.83  714.985 40340.13  720.599  203.293   1.8118  203.837   1.8211 -0.5443726 2.568888 
1 1 1   12    4    2 o  334.832   1.5272 108889.90  980.638 109033.60  1290.81 108693.80  1508.06  335.105   1.9843  334.559   2.3221 0.5459290 3.054465 
1 1 1   12    4    3 o   51.472   0.8072  2571.17   80.633  2647.55  114.894  2497.04  113.190   52.225   1.1333   50.719   1.1497 1.506271 1.614361 
1 1 1   12    4    4 o   47.220   0.6860  2157.17   60.042  2140.44   74.411  2188.39  101.646   46.959   0.8163   47.481   1.1028 -0.5217934 1.372069 
1 1 1   12    4    5 o  402.982   1.6138 157684.91  1262.16 156225.80  1764.03 159215.41  1806.66  401.074   2.2658  404.889   2.2987 -3.815735 3.227627 
1 1 1   12    4    6 o  118.844   0.8706 13708.99  200.823 13940.41  286.084 13484.18  281.973  119.833   1.2299  117.856   1.2325 1.977287 1.741157 
1 1 1   12    4    7 o  142.500   0.9879 19711.74  273.233 19974.59  389.510 19457.09  383.383  143.435   1.3989  141.565   1.3951 1.870117 1.975700 
1 1 1   12    4    8 o   92.920   0.7494  8380.87  135.167  8551.71  192.312  8214.08  190.018   93.856   1.0556   91.984   1.0642 1.871590 1.498898 
1 1 1   12    4    9 f   87.946   0.8661  7541.75  142.198  7628.98  178.706  7391.18  234.775   88.646   1.0385   87.245   1.3863 1.401230 1.732125 
1 1 1   12    4   10 o   93.559   0.7913  8501.75  143.606  8400.06  206.266  8597.40  200.056   93.016   1.1424   94.103   1.0952 -1.087471 1.582531 
1 1 1   12    4   11 o  129.003   0.9655 16162.86  241.657 16102.44  347.180 16219.64  336.576  128.768   1.3889  129.238   1.3416 -0.4701691 1.931079 
1 1 1   12    4   12 o   78.313   0.7311  5952.35  111.088  6039.06  159.938  5871.53  154.412   78.863   1.0447   77.763   1.0229 1.100845 1.462148 
1 1 1   12    4   13 o   83.616   0.7505  6787.30  121.745  6845.64  175.604  6733.30  168.938   83.962   1.0774   83.271   1.0451 0.6905441 1.501043 
1 1 1   12    4   14 o  118.193   0.9356 13572.04  214.567 13504.78  307.342 13635.98  299.690  117.906   1.3428  118.480   1.3031 -0.5743942 1.871136 
1 1 1   12    4   15 o   36.320   0.7690  1280.97   54.170  1287.11   78.311  1275.34   75.012   36.403   1.1082   36.237   1.0664 0.1659966 1.537941 
1 1 1   12    4   16 o   21.376   1.1835  445.134   48.947  488.061   69.349  402.521   69.095   22.407   1.5944   20.345   1.7495 2.061363 2.367047 
1 1 1   12    4   17 o  112.976   1.0259 12400.91  224.921 12616.50  322.886 12197.68  313.495  113.928   1.4600  112.023   1.4416 1.904884 2.051809 
1 1 1   12    4   18 o   70.705   0.7717  4857.24  105.898  4972.63  149.848  4742.12  149.678   71.544   1.0790   69.865   1.1037 1.679474 1.543447 
1 1 1   12    4   19 o  102.417   0.9597 10197.96  190.793 10227.90  270.285 10168.22  269.362  102.566   1.3575  102.267   1.3569 0.2996063 1.919375 
1 1 1   12    4   20 o   11.821   2.6058  143.298   64.393  166.836   74.353   72.672  128.796   12.791   3.0394   10.851   4.2335 1.939966 5.211585 
1 1 1   12    4   21 o   61.681   0.7920  3699.82   94.793  3755.40  132.778  3642.05  135.376   62.156   1.1005   61.207   1.1394 0.9485283 1.584066 
1 1 1   12    4   22 o   46.331   0.8247  2078.68   73.952  2208.39  109.888  1971.31   99.981   47.644   1.1882   45.018   1.1441 2.626118 1.649464 
1 1 1   12    4   23 o   48.302   0.8311  2272.52   77.884  2201.31  110.516  2342.79  109.777   47.547   1.1974   49.057   1.1528 -1.509968 1.662125 
1 1 1   12    4   24 f   28.701   1.1469  803.604   63.690  779.636   86.149  832.495   94.584   28.237   1.5717   29.164   1.6707 -0.9274845 2.293793 
1 1 1   12    4   25 o   51.791   0.9440  2631.53   92.117  2663.57  117.372  2580.15  148.646   52.248   1.1573   51.333   1.4917 0.9141693 1.887987 
1 1 1   12    4   26 o   27.081   1.2285  722.112   64.502  765.936   93.976  683.078   88.691   27.856   1.7379   26.306   1.7368 1.549526 2.457027 
1 1 1   12    4   27 o   28.586   1.2247  809.572   67.885  794.639   97.744  823.487   94.355   28.316   1.7782   28.856   1.6845 -0.5400333 2.449404 
1 1 1   12    4   28 o   50.373   0.8929  2494.96   87.258  2541.78  125.965  2451.76  120.990   50.819   1.2769   49.927   1.2484 0.8927727 1.785758 
1 1 1   12    4   29 o   12.804   4.3211  192.092  127.416   0.0000   0.0000  192.092  127.416  ?   ?    12.804   4.3211      ?      ? 
1 1 1   12    5    0 o  181.511   1.1970 31984.96  421.730 31943.93  592.589 32027.07  600.319  181.393   1.6829  181.628   1.7027 -0.2353363 2.394034 
1 1 1   12    5    1 o  189.293   1.1746 34735.94  428.699 34356.05  572.479 35220.95  646.856  188.119   1.5677  190.467   1.7495 -2.347717 2.349157 
1 1 1   12    5    2 o  367.776   1.6337 131261.30  1159.17 130575.10  1553.57 132123.00  1741.03  366.702   2.1825  368.849   2.4316 -2.146820 3.267412 
1 1 1   12    5    3 o  202.339   1.2211 39728.20  476.516 39575.13  638.049 39921.25  716.553  201.902   1.6280  202.777   1.8204 -0.8747559 2.442160 
1 1 1   12    5    4 o   82.226   0.7097  6564.27  113.242  6616.65  158.330  6509.43  162.030   82.562   0.9879   81.890   1.0193 0.6719437 1.419484 
1 1 1   12    5    5 o   71.835   0.7628  5033.67  103.340  4904.68  166.201  5114.98  131.946   71.080   1.2045   72.591   0.9364 -1.510468 1.525681 
1 1 1   12    5    6 o  159.367   1.0434 24655.26  322.776 24435.05  453.051 24882.25  459.975  158.645   1.4712  160.089   1.4802 -1.444870 2.086895 
1 1 1   12    5    7 o  101.517   0.8303  9999.02  163.422  9893.39  224.973 10117.03  237.787  100.951   1.1480  102.084   1.2000 -1.133606 1.660686 
1 1 1   12    5    8 o  113.557   0.8368 12517.60  184.367 12581.42  265.384 12458.06  256.321  113.837   1.2010  113.278   1.1657 0.5584564 1.673636 
1 1 1   12    5    9 o  125.044   0.9444 15171.49  228.923 15384.27  333.726 14982.39  314.609  125.871   1.3658  124.218   1.3047 1.652504 1.888878 
1 1 1   12    5   10 o   99.843   0.7896  9678.73  153.010  9497.76  216.083  9860.73  216.696   98.907   1.1255  100.780   1.1077 -1.872665 1.579113 
1 1 1   12    5   11 o   35.339   0.7222  1212.80   49.530  1231.83   69.627  1193.31   70.472   35.620   1.0070   35.058   1.0355 0.5617104 1.444407 
1 1 1   12    5   12 o  110.121   0.8546 11775.97  182.598 11798.15  262.459 11755.16  254.205  110.220   1.2267  110.021   1.1903 0.1990814 1.709234 
1 1 1   12    5   13 o  162.406   1.1276 25619.97  354.876 25765.65  517.826 25490.96  487.305  162.836   1.6382  161.975   1.5498 0.8604431 2.255155 
1 1 1   12    5   14 o   56.987   0.6668  3150.57   73.607  3195.27  107.933  3111.71  100.641   57.364   0.9693   56.610   0.9158 0.7536621 1.333522 
1 1 1   12    5   15 o   40.729   0.7204  1610.46   56.930  1627.36   81.994  1594.72   79.106   40.935   1.0319   40.523   1.0057 0.4120064 1.440875 
1 1 1   12    5   16 o   58.348   0.7076  3306.15   80.129  3317.90  114.650  3294.94  112.033   58.449   1.0105   58.247   0.9909 0.2018356 1.415236 
1 1 1   12    5   17 o   49.966   0.7275  2426.07   70.420  2406.97  102.746  2443.00   96.706   49.779   1.0633   50.153   0.9933 -0.3736916 1.455096 
1 1 1   12    5   18 o   57.455   0.7464  3210.99   83.136  3341.55  116.351  3074.80  118.833   58.651   1.0219   56.258   1.0881 2.392807 1.492796 
1 1 1   12    5   19 o   23.801   1.3601  555.744   62.245  588.036   84.043  516.506   92.640   24.579   1.7615   23.023   2.0729 1.556017 2.720201 
1 1 1   12    5   20 o   66.793   0.7768  4334.80  100.693  4463.38  143.622  4210.49  141.210   67.768   1.0918   65.819   1.1052 1.948914 1.553547 
1 1 1   12    5   21 o  102.064   0.9626 10131.86  190.688 10008.74  266.552 10260.92  272.908  101.431   1.3538  102.698   1.3690 -1.267204 1.925290 
1 1 1   12    5   22 o   25.456   1.2612  626.246   61.854  745.738   92.147  528.247   83.449   27.650   1.7168   23.262   1.8480 4.387859 2.522446 
1 1 1   12    5   23 f   64.251   0.8084  4018.73  100.828  3998.04  142.515  4039.46  142.669   64.085   1.1456   64.417   1.1409 -0.3318329 1.616846 
1 1 1   12    5   24 o   32.480   1.0627  1030.87   66.990  1055.48   95.202  1006.74   94.282   32.865   1.4923   32.094   1.5133 0.7708817 2.125334 
1 1 1   12    5   25 o   19.614   1.6595  382.231   63.074  360.463   89.778  403.448   88.633   19.047   2.4282   20.181   2.2625 -1.134548 3.318902 
1 1 1   12    5   26 f   23.928   1.6373  586.417   73.005  631.211   93.515  516.518  116.818   25.241   1.9086   22.616   2.6609 2.624376 3.274609 
1 1 1   12    5   27 o   8.6277   2.4185   40.492   62.840   89.633   89.266  -7.7851   88.478   9.8528   3.5929   7.4027   3.2384 2.450054 4.836934 
1 1 1   12    5   28 o   16.881   2.0935  304.751   66.215  265.863   96.913  338.800   90.682   15.591   3.3048   18.171   2.5708 -2.580507 4.187011 
1 1 1   12    5   29 o   15.726   3.7879  285.860  114.261   0.0000   0.0000  285.860  114.261  ?   ?    15.726   3.7879      ?      ? 
1 1 1   12    6    0 o  151.898   1.0280 22389.85  302.087 22292.31  410.126 22505.52  446.637  151.538   1.3942  152.258   1.5112 -0.7205048 2.056074 
1 1 1   12    6    1 o  161.702   1.0706 25363.95  334.214 25195.28  449.100 25573.29  500.341  161.101   1.4361  162.302   1.5881 -1.200439 2.141117 
1 1 1   12    6    2 f  166.656   1.2607 26889.34  390.183 26706.32  484.820 27225.83  657.375  165.860   1.5058  167.451   2.0224 -1.590973 2.521398 
1 1 1   12    6    3 o  206.640   1.2381 41508.21  493.851 41967.02  666.080 40948.07  735.956  207.913   1.6504  205.367   1.8461 2.546097 2.476249 
1 1 1   12    6    4 o  172.873   1.1393 29034.07  380.343 29216.41  513.373 28812.20  566.283  173.477   1.5245  172.268   1.6934 1.209198 2.278539 
1 1 1   12    6    5 o  106.694   0.8474 11056.72  175.240 11163.57  241.917 10938.75  254.191  107.238   1.1621  106.151   1.2336 1.086494 1.694783 
1 1 1   12    6    6 f   87.096   0.7140  7351.14  120.579  7115.08  165.746  7616.54  175.741   85.613   0.9973   88.579   1.0221 -2.965309 1.428028 
1 1 1   12    6    7 o   92.615   0.7431  8324.82  133.545  8396.60  191.924  8257.45  185.940   93.002   1.0631   92.229   1.0386 0.7734146 1.486209 
1 1 1   12    6    8 o  187.337   1.0896 34061.10  395.189 34340.70  581.360 33820.92  538.824  188.048   1.5926  186.626   1.4873 1.422043 2.179129 
1 1 1   12    6    9 o  192.770   1.1125 36101.52  415.364 35897.18  607.411 36281.01  569.269  192.254   1.6276  193.287   1.5172 -1.033157 2.225083 
1 1 1   12    6   10 o   59.370   0.6356  3421.83   73.249  3433.31  103.665  3410.38  103.514   59.470   0.8980   59.271   0.8997 0.1989517 1.271150 
1 1 1   12    6   11 o   65.901   0.6615  4216.37   84.608  4215.63  118.656  4217.14  120.679   65.896   0.9276   65.907   0.9433 -0.1155090E-01 1.322956 
1 1 1   12    6   12 o   33.964   0.7522  1120.65   49.555  1173.02   70.149  1068.48   70.015   34.757   1.0397   33.171   1.0873 1.585426 1.504419 
1 1 1   12    6   13 o  110.707   0.8842 11899.55  189.898 12014.89  274.113 11793.11  263.326  111.221   1.2696  110.192   1.2311 1.028954 1.768458 
1 1 1   12    6   14 o   14.321   1.7135  210.135   45.000  149.105   65.356  265.149   62.052   12.129   2.8279   16.513   1.9358 -4.383891 3.426997 
1 1 1   12    6   15 o  104.134   0.8841 10533.66  178.649 10569.27  256.417 10500.07  249.041  104.303   1.2664  103.964   1.2340 0.3395615 1.768237 
1 1 1   12    6   16 o   85.412   0.8241  7080.40  136.576  7303.04  196.780  6873.48  189.708   86.706   1.1691   84.117   1.1618 2.588173 1.648241 
1 1 1   12    6   17 o   73.653   0.7682  5263.07  109.741  5425.07  159.158  5116.25  151.518   74.731   1.0971   72.574   1.0755 2.156998 1.536375 
1 1 1   12    6   18 o  146.811   1.2932 20967.08  368.442 20578.55  513.964 21377.81  528.450  145.414   1.8208  148.208   1.8368 -2.793488 2.586353 
1 1 1   12    6   19 o  120.471   1.0919 14116.60  255.327 14064.27  358.462 14170.49  363.772  120.246   1.5357  120.696   1.5526 -0.4502945 2.183823 
1 1 1   12    6   20 o   61.718   0.7658  3702.59   91.726  3635.44  130.069  3769.02  129.375   61.160   1.0956   62.276   1.0702 -1.115406 1.531536 
1 1 1   12    6   21 o   42.888   0.8560  1790.51   71.187  1855.27   99.698  1723.16  101.678   43.682   1.1758   42.094   1.2444 1.588428 1.711968 
1 1 1   12    6   22 o   48.664   0.8033  2303.88   75.880  2269.81  107.318  2337.93  107.303   48.304   1.1445   49.025   1.1275 -0.7211609 1.606637 
1 1 1   12    6   23 o   46.480   0.8517  2102.32   76.793  1995.33  107.149  2215.33  110.115   45.263   1.2195   47.697   1.1893 -2.434074 1.703407 
1 1 1   12    6   24 o   55.159   0.8076  2965.01   86.473  2936.06  122.394  2993.86  122.187   54.889   1.1487   55.429   1.1356 -0.5402222 1.615285 
1 1 1   12    6   25 o   15.352   2.2051  247.197   64.557  158.235   90.916  337.668   91.683   12.301   3.5867   18.404   2.5663 -6.103001 4.410285 
1 1 1   12    6   26 o   33.570   1.0655  1108.92   69.394  1076.11   98.796  1140.86   97.493   33.071   1.5390   34.070   1.4741 -0.9993782 2.131078 
1 1 1   12    6   27 o   10.245   2.6556   91.195   69.742   56.240   93.018  136.074  105.398   9.0132   3.5728   11.478   3.9298 -2.464620 5.311127 
1 1 1   12    6   28 o   19.388   1.7715  386.385   66.239  367.685   97.785  402.242   90.045   18.885   2.6673   19.891   2.3321 -1.005098 3.543089 
1 1 1   12    6   29 o   17.164   3.7347  338.088  120.899   0.0000   0.0000  338.088  120.899  ?   ?    17.164   3.7347      ?      ? 
1 1 1   12    7    0 o  250.212   1.3411 60886.13  645.563 61564.34  860.135 60011.28  976.900  251.816   1.7596  248.607   2.0243 3.208405 2.682158 
1 1 1   12    7    1 o  108.390   0.8487 11410.75  178.422 11579.70  248.354 11230.54  256.496  109.220   1.1714  107.560   1.2285 1.659966 1.697441 
1 1 1   12    7    2 o  296.950   1.4531 85660.27  828.577 85900.59  1095.15 85338.54  1267.15  297.446   1.8967  296.454   2.2019 0.9920044 2.906209 
1 1 1   12    7    3 o  135.892   0.9873 17933.32  259.680 18014.51  354.420 17839.23  381.566  136.225   1.3403  135.559   1.4500 0.6663361 1.974577 
1 1 1   12    7    4 o  131.737   0.9672 16845.45  246.719 16814.56  337.112 16881.09  362.046  131.608   1.3196  131.866   1.4144 -0.2581940 1.934342 
1 1 1   12    7    5 o  123.760   0.9197 14844.28  220.354 14547.99  299.470 15194.10  325.397  122.416   1.2602  125.103   1.3399 -2.687202 1.839445 
1 1 1   12    7    6 o  226.989   1.3096 50043.00  573.910 50130.83  772.846 49935.03  856.911  227.217   1.7522  226.761   1.9467 0.4557343 2.619152 
1 1 1   12    7    7 o   44.029   0.6333  1887.90   53.955  1998.17   74.906  1768.99   77.784   45.370   0.8505   42.689   0.9387 2.681625 1.266680 
1 1 1   12    7    8 o   59.038   0.6397  3383.99   73.293  3468.69  103.694  3299.44  103.611   59.776   0.8936   58.299   0.9155 1.476830 1.279375 
1 1 1   12    7    9 o   53.708   0.6060  2799.51   63.170  2720.42   88.636  2881.15   90.053   52.937   0.8626   54.479   0.8515 -1.541550 1.212068 
1 1 1   12    7   10 o  113.533   0.8540 12514.80  188.123 12522.63  270.102 12507.44  262.168  113.566   1.2252  113.499   1.1899 0.6772614E-01 1.707954 
1 1 1   12    7   11 o   52.397   0.6523  2662.84   66.316  2575.19   92.099  2757.23   95.568   51.502   0.9212   53.292   0.9238 -1.789288 1.304634 
1 1 1   12    7   12 o  108.039   0.8405 11336.55  176.202 11300.64  252.650 11370.56  245.864  107.871   1.2066  108.206   1.1705 -0.3350525 1.681039 
1 1 1   12    7   13 o   83.948   0.7750  6843.49  126.289  6860.68  179.467  6826.63  177.746   84.052   1.0999   83.844   1.0921 0.2084961 1.550021 
1 1 1   12    7   14 o   53.424   0.6848  2768.48   70.962  2619.10   98.747  2928.01  102.043   51.935   0.9795   54.912   0.9573 -2.977978 1.369614 
1 1 1   12    7   15 o   62.754   0.7131  3825.86   86.827  3771.39  124.124  3878.05  121.501   62.315   1.0261   63.192   0.9905 -0.8764648 1.426185 
1 1 1   12    7   16 o  118.513   1.0627 13650.81  244.471 13535.02  344.015 13768.95  347.479  118.005   1.5018  119.020   1.5040 -1.015137 2.125406 
1 1 1   12    7   17 o   72.047   0.7643  5042.20  106.878  5051.71  152.369  5032.99  149.957   72.114   1.0885   71.981   1.0732 0.1328812 1.528566 
1 1 1   12    7   18 o   98.192   0.9262  9371.14  176.547  9442.36  250.391  9300.74  248.964   98.563   1.3087   97.821   1.3111 0.7421875 1.852483 
1 1 1   12    7   19 o   92.638   1.0966  8281.73  185.167  8158.48  225.096  8539.72  325.656   91.615   1.2657   93.661   1.7912 -2.046661 2.193235 
1 1 1   12    7   20 o  110.474   1.0214 11869.90  219.004 12069.76  312.918 11678.01  306.614  111.384   1.4472  109.563   1.4417 1.821526 2.042765 
1 1 1   12    7   21 o   55.448   0.7829  2987.89   84.251  3069.94  120.191  2908.62  118.134   56.196   1.1018   54.699   1.1126 1.497284 1.565821 
1 1 1   12    7   22 o   40.082   0.8785  1563.96   68.337  1587.05   96.076  1540.31   97.221   40.383   1.2256   39.781   1.2590 0.6020622 1.757046 
1 1 1   12    7   23 o   47.824   0.8361  2228.46   77.558  2128.95  109.754  2327.71  109.612   46.754   1.2093   48.895   1.1549 -2.141209 1.672161 
1 1 1   12    7   24 o   49.380   0.8248  2376.98   79.052  2402.88  111.409  2350.72  112.187   49.653   1.1559   49.107   1.1769 0.5456619 1.649574 
1 1 1   12    7   25 o   41.988   0.9125  1723.13   74.369  1740.97  105.554  1705.55  104.796   42.204   1.2884   41.772   1.2924 0.4324913 1.824910 
1 1 1   12    7   26 o   8.8351   2.4010   52.185   60.671   3.4565   87.570   97.168   84.137   7.6310   3.2802   10.039   3.5071 -2.408236 4.802093 
1 1 1   12    7   27 o   15.448   2.2054  254.324   63.742  259.754   93.399  249.590   87.208   15.574   3.1966   15.323   3.0393 0.2512474 4.410827 
1 1 1   12    7   28 o   10.186   2.6142   93.919   73.602  159.764   95.261  -3.6086  115.936   12.004   3.7114   8.3680   3.6826 3.635945 5.228374 
1 1 1   12    7   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    8    0 o  252.550   1.3550 61980.53  658.796 62346.59  878.367 61509.83  996.045  253.409   1.7856  251.691   2.0387 1.717972 2.710090 
1 1 1   12    8    1 o   45.182   0.7905  1984.99   68.631  1957.58  104.382  2005.86   91.088   44.907   1.1974   45.458   1.0323 -0.5512199 1.580940 
1 1 1   12    8    2 o  396.625   1.6898 152700.70  1291.55 152234.09  1724.26 153297.00  1949.44  395.947   2.2434  397.302   2.5277 -1.354797 3.379636 
1 1 1   12    8    3 o  150.352   1.2259 22019.80  348.960 22281.56  448.004 21615.97  556.448  151.497   1.5234  149.207   1.9212 2.290085 2.451873 
1 1 1   12    8    4 o   36.355   0.6254  1281.75   44.003  1268.25   59.800  1297.68   64.982   36.147   0.8523   36.563   0.9156 -0.4167137 1.250829 
1 1 1   12    8    5 o  161.664   1.0870 25379.61  339.997 25437.04  462.612 25312.16  501.381  161.865   1.4723  161.463   1.5997 0.4019623 2.174076 
1 1 1   12    8    6 o   11.700   1.6875  137.995   37.027  125.053   52.247  151.052   52.480   11.127   2.4820   12.273   2.2869 -1.145910 3.374981 
1 1 1   12    8    7 o   81.259   0.6955  6410.26  109.695  6316.61  155.090  6504.00  155.173   80.665   0.9905   81.853   0.9766 -1.187996 1.390952 
1 1 1   12    8    8 o   81.736   0.6970  6486.37  110.568  6360.25  156.411  6612.35  156.322   80.941   0.9955   82.530   0.9758 -1.588867 1.393947 
1 1 1   12    8    9 o   61.566   0.6248  3678.61   74.640  3643.05  104.036  3716.34  107.148   61.260   0.8749   61.873   0.8921 -0.6128693 1.249504 
1 1 1   12    8   10 o  102.618   0.8288 10222.11  165.079 10372.80  235.695 10077.01  231.283  103.360   1.1747  101.876   1.1695 1.484169 1.657620 
1 1 1   12    8   11 o  123.763   0.9193 14880.40  220.717 14700.30  316.523 15050.85  307.936  123.032   1.3253  124.493   1.2742 -1.461060 1.838519 
1 1 1   12    8   12 o   77.593   0.7185  5846.36  108.176  5834.68  155.105  5857.43  150.948   77.517   1.0308   77.669   1.0012 -0.1519394 1.436970 
1 1 1   12    8   13 o   63.532   0.6815  3919.09   84.047  3964.15  119.327  3874.73  118.398   63.895   0.9621   63.170   0.9655 0.7248344 1.363028 
1 1 1   12    8   14 o   54.519   0.7944  2858.60   80.764  2986.59  135.773  2788.52  100.473   55.450   1.2614   53.588   0.9659 1.861542 1.588705 
1 1 1   12    8   15 o  131.110   1.0472 16705.17  266.483 16622.23  373.682 16790.98  380.127  130.780   1.4720  131.440   1.4898 -0.6600494 2.094332 
1 1 1   12    8   16 o   75.349   0.7751  5514.59  113.346  5525.53  161.888  5504.07  158.749   75.422   1.1057   75.277   1.0864 0.1456070 1.550126 
1 1 1   12    8   17 o   39.464   0.7940  1513.41   60.808  1483.30   86.408  1542.95   85.590   39.075   1.1392   39.854   1.1063 -0.7790337 1.587998 
1 1 1   12    8   18 o   50.209   0.7640  2448.06   74.441  2540.16  106.431  2359.84  104.158   51.133   1.0723   49.284   1.0887 1.849060 1.528095 
1 1 1   12    8   19 o  172.541   1.5071 29015.09  504.759 28757.84  709.553 29278.66  718.199  171.768   2.1280  173.314   2.1347 -1.546112 3.014244 
1 1 1   12    8   20 o   68.795   0.7960  4599.98  106.287  4712.55  150.850  4489.01  149.779   69.632   1.1160   67.959   1.1354 1.673218 1.592039 
1 1 1   12    8   21 o   42.819   0.8447  1787.37   69.950  1723.76  102.390  1843.03   95.788   42.099   1.2529   43.540   1.1333 -1.440220 1.689447 
1 1 1   12    8   22 o   46.561   0.8256  2108.73   74.611  2057.63  104.426  2162.02  106.639   45.985   1.1698   47.138   1.1654 -1.152515 1.651285 
1 1 1   12    8   23 o   25.905   1.6694  657.424   77.273  666.969  140.270  653.264   92.590   25.973   2.7821   25.838   1.8461 0.1354980 3.338885 
1 1 1   12    8   24 o   33.367   1.0454  1088.26   67.696  1099.80   95.126  1076.41   96.360   33.549   1.4607   33.185   1.4959 0.3641472 2.090759 
1 1 1   12    8   25 o   41.627   0.8832  1693.27   71.365  1687.44  100.228  1699.27  101.638   41.556   1.2425   41.699   1.2557 -0.1423721 1.766469 
1 1 1   12    8   26 o   7.6865   2.2430   8.0625   58.019 -53.1022   83.024   66.441   81.111   6.3697   2.9284   9.0033   3.3982 -2.633633 4.485910 
1 1 1   12    8   27 o   21.877   1.5513  489.374   64.390  584.300   89.159  385.890   93.091   24.228   1.8957   19.525   2.4561 4.703001 3.102586 
1 1 1   12    8   28 o   31.863   1.2000  1011.81   74.130  1041.08  103.338  980.781  106.401   32.362   1.6450   31.364   1.7477 0.9988384 2.400044 
1 1 1   12    8   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    9    0 o  201.241   1.2123 39305.74  470.680 39208.75  631.369 39427.08  706.180  200.965   1.6184  201.517   1.8053 -0.5526123 2.424523 
1 1 1   12    9    1 o  221.855   1.2806 47709.14  547.331 47169.52  728.610 48408.05  829.195  220.422   1.7028  223.289   1.9130 -2.867157 2.561134 
1 1 1   12    9    2 o   66.320   0.7645  4264.35   93.269  4253.48  114.766  4285.50  160.063   66.197   0.8931   66.443   1.2410 -0.2464066 1.528975 
1 1 1   12    9    3 o  238.373   1.3190 55125.57  604.977 54832.48  803.054 55510.20  919.941  237.646   1.7408  239.099   1.9821 -1.452637 2.637982 
1 1 1   12    9    4 o  127.202   0.9465 15686.57  233.046 15436.63  316.712 15981.68  344.150  126.099   1.2939  128.305   1.3818 -2.205032 1.892986 
1 1 1   12    9    5 o  170.401   1.1808 28193.00  390.577 28187.09  551.526 28198.95  553.196  170.383   1.6675  170.419   1.6722 -0.3565979E-01 2.361575 
1 1 1   12    9    6 o  141.321   0.9716 19388.79  266.520 19286.71  374.474 19493.57  379.407  140.945   1.3687  141.698   1.3794 -0.7535095 1.943185 
1 1 1   12    9    7 o   69.551   0.6417  4692.89   86.606  4792.74  124.684  4599.81  120.387   70.265   0.9141   68.836   0.9009 1.428627 1.283483 
1 1 1   12    9    8 o  124.533   0.8917 15056.30  215.426 15104.33  310.579 15011.76  299.064  124.724   1.2828  124.343   1.2390 0.3811798 1.783463 
1 1 1   12    9    9 o  180.205   1.0905 31526.10  380.576 31685.40  558.269 31387.80  520.178  180.627   1.5922  179.783   1.4905 0.8435974 2.180995 
1 1 1   12    9   10 o   34.205   0.7235  1133.93   47.938  1107.53   65.375  1164.64   70.505   33.776   0.9971   34.635   1.0487 -0.8594208 1.447042 
1 1 1   12    9   11 o   70.300   0.6903  4798.38   94.198  4807.75  132.831  4788.91  133.604   70.369   0.9724   70.231   0.9800 0.1381454 1.380575 
1 1 1   12    9   12 o   50.329   0.6289  2456.88   61.396  2400.90   84.824  2518.47   88.979   49.728   0.8787   50.930   0.9000 -1.202572 1.257846 
1 1 1   12    9   13 o   58.714   0.7872  3356.91   86.123  3315.72  143.120  3380.30  107.831   58.426   1.2619   59.002   0.9415 -0.5760078 1.574409 
1 1 1   12    9   14 o  147.390   1.0287 21102.81  294.093 21222.62  424.741 20992.48  407.608  147.789   1.4805  146.992   1.4285 0.7978973 2.057331 
1 1 1   12    9   15 o   72.989   0.7482  5174.18  106.007  5190.20  150.249  5158.30  149.587   73.102   1.0588   72.877   1.0574 0.2249603 1.496392 
1 1 1   12    9   16 o  132.766   1.1756 17132.73  302.915 16815.52  423.372 17465.42  433.583  131.508   1.6585  134.024   1.6666 -2.516037 2.351165 
1 1 1   12    9   17 f  105.923   0.9700 10903.48  199.443 11008.22  284.018 10801.58  280.131  106.424   1.3748  105.422   1.3689 1.002975 1.940085 
1 1 1   12    9   18 o   37.500   0.8660  1366.19   62.976  1377.77   91.278  1355.66   86.997   37.651   1.2489   37.349   1.1999 0.3013306 1.731935 
1 1 1   12    9   19 o   90.619   0.8932  7982.60  157.120  7970.91  222.648  7994.21  221.755   90.553   1.2666   90.686   1.2597 -0.1330261 1.786403 
1 1 1   12    9   20 o  104.508   0.9816 10623.52  199.125 10653.70  281.498 10593.30  281.714  104.657   1.3856  104.359   1.3906 0.2979431 1.963109 
1 1 1   12    9   21 o   46.306   0.8410  2089.01   75.441  1955.00  107.419  2219.43  105.976   44.835   1.2342   47.778   1.1427 -2.942951 1.681978 
1 1 1   12    9   22 o   21.830   1.5220  468.010   64.137  409.647   90.351  527.293   91.060   20.443   2.2768   23.218   2.0204 -2.774729 3.044007 
1 1 1   12    9   23 o   35.537   0.9788  1243.32   66.872  1096.87   97.387  1373.98   91.987   33.524   1.4965   37.551   1.2620 -4.026482 1.957559 
1 1 1   12    9   24 o   47.991   0.8524  2246.00   79.405  2254.99  111.834  2236.86  112.763   48.090   1.1980   47.893   1.2129 0.1963921 1.704799 
1 1 1   12    9   25 o   7.2603   2.2198 -13.1420   57.641   28.137   88.371 -43.7080   76.044   8.2848   3.4102   6.2359   2.8426 2.048887 4.439526 
1 1 1   12    9   26 o   30.773   1.1201  927.919   66.669  996.696   99.567  872.021   89.763   31.792   1.6134   29.754   1.5541 2.037970 2.240122 
1 1 1   12    9   27 o   16.207   2.1508  276.255   66.207  253.398   93.334  299.404   93.930   15.341   3.2359   17.073   2.8342 -1.731959 4.301592 
1 1 1   12    9   28 o   34.052   1.1531  1151.15   75.813  1318.08  109.557  997.764  105.020   36.458   1.5480   31.647   1.7095 4.811464 2.306273 
1 1 1   12    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   10    0 o  232.696   1.3018 52585.19  582.791 52675.67  774.578 52467.13  884.747  232.932   1.7131  232.460   1.9607 0.4713898 2.603616 
1 1 1   12   10    1 o  173.622   1.1294 29296.96  379.200 29648.33  515.929 28884.16  559.223  174.758   1.5209  172.487   1.6702 2.270676 2.258876 
1 1 1   12   10    2 o   44.257   0.6729  1886.12   54.649  1855.71   66.853  1947.39   94.880   43.724   0.7876   44.790   1.0913 -1.065765 1.345817 
1 1 1   12   10    3 o  302.835   1.4800 89043.94  859.866 88970.33  1132.50 89144.12  1321.28  302.699   1.9274  302.971   2.2466 -0.2719727 2.960067 
1 1 1   12   10    4 o  163.682   1.1013 25975.66  348.065 25668.88  467.468 26357.33  521.416  162.601   1.4810  164.762   1.6303 -2.161087 2.202554 
1 1 1   12   10    5 o  123.766   0.8901 14868.26  213.809 14752.10  298.870 14990.04  306.000  123.271   1.2490  124.261   1.2686 -0.9897156 1.780245 
1 1 1   12   10    6 o  116.908   0.8713 13266.27  197.699 13601.53  281.552 12940.20  277.667  118.365   1.2254  115.451   1.2390 2.913712 1.742587 
1 1 1   12   10    7 o  216.579   1.2784 45613.45  536.035 44738.73  783.086 46384.68  735.304  214.617   1.8797  218.541   1.7333 -3.924286 2.556829 
1 1 1   12   10    8 o  117.995   0.8594 13521.62  196.763 13370.14  281.229 13666.87  275.393  117.347   1.2346  118.643   1.1958 -1.296349 1.718740 
1 1 1   12   10    9 o   73.574   0.6766  5254.72   96.628  5314.76  137.311  5195.83  136.004   73.991   0.9560   73.158   0.9577 0.8325577 1.353190 
1 1 1   12   10   10 o   47.380   0.6470  2178.24   59.490  2120.44   83.089  2239.03   85.216   46.735   0.9159   48.024   0.9141 -1.289120 1.293983 
1 1 1   12   10   11 o  134.902   1.0144 17676.50  265.358 17678.05  384.023 17675.07  367.095  134.905   1.4664  134.899   1.4019 0.6820679E-02 2.028707 
1 1 1   12   10   12 o   71.817   0.8309  4976.00  109.950  5113.08  189.063  4905.95  135.156   72.553   1.3424   71.081   0.9795 1.472015 1.661781 
1 1 1   12   10   13 o   73.563   0.7007  5254.36  100.059  5211.09  140.611  5298.74  142.417   73.256   0.9888   73.870   0.9932 -0.6133575 1.401479 
1 1 1   12   10   14 o  221.580   1.7727 47972.61  757.649 46200.77  1125.08 49442.86  1024.87  217.777   2.6614  225.382   2.3425 -7.604263 3.545469 
1 1 1   12   10   15 o   34.958   0.9999  1179.31   63.683  1163.98   77.414  1211.40  112.002   34.616   1.1521   35.300   1.6345 -0.6837158 1.999716 
1 1 1   12   10   16 o   45.232   0.7380  1989.72   64.654  1945.17   93.994  2029.72   89.073   44.750   1.0820   45.715   1.0037 -0.9647026 1.475905 
1 1 1   12   10   17 o   83.298   0.9882  6751.95  152.622  6770.57  189.735  6717.83  256.898   83.478   1.1709   83.117   1.5922 0.3616791 1.976398 
1 1 1   12   10   18 f   26.584   1.1063  695.515   56.227  562.025   80.057  825.466   78.989   24.032   1.7161   29.137   1.3965 -5.105705 2.212553 
1 1 1   12   10   19 o   56.947   0.7752  3151.06   85.693  3097.46  120.572  3205.78  121.814   56.458   1.1002   57.437   1.0926 -0.9791641 1.550495 
1 1 1   12   10   20 o   59.276   0.7961  3415.08   91.590  3485.23  130.006  3345.96  129.054   59.881   1.1184   58.672   1.1331 1.209709 1.592119 
1 1 1   12   10   21 o   97.805   0.9370  9307.15  177.889  9248.48  251.757  9365.64  251.391   97.497   1.3302   98.114   1.3199 -0.6174164 1.873963 
1 1 1   12   10   22 o   72.754   0.8207  5148.64  115.871  5275.04  166.126  5028.88  161.696   73.623   1.1624   71.886   1.1588 1.737724 1.641312 
1 1 1   12   10   23 o   40.636   0.8920  1609.02   70.358  1623.19  100.287  1595.28   98.733   40.811   1.2659   40.460   1.2571 0.3512535 1.784038 
1 1 1   12   10   24 o   18.252   1.7936  330.668   63.357  361.336   89.910  300.418   89.294   19.111   2.4236   17.394   2.6446 1.716682 3.587145 
1 1 1   12   10   25 o   35.890   0.9380  1264.46   64.939  1221.43   96.488  1300.10   87.800   35.311   1.4076   36.468   1.2403 -1.156914 1.876096 
1 1 1   12   10   26 o   13.239   2.3160  179.389   63.683  300.027   95.344   82.217   85.570   16.896   3.0178   9.5818   3.5141 7.314137 4.632052 
1 1 1   12   10   27 o   24.972   1.4021  622.385   67.929  638.459   98.062  607.556   94.188   25.276   1.9986   24.668   1.9670 0.6081467 2.804192 
1 1 1   12   10   28 o   34.151   1.1144  1157.05   73.828  1214.93  105.752  1102.03  103.116   34.992   1.5569   33.309   1.5948 1.683472 2.228705 
1 1 1   12   10   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   11    0 o  148.049   1.0361 21221.71  296.693 20652.64  400.605 21913.06  441.552  145.858   1.4149  150.241   1.5140 -4.382889 2.072229 
1 1 1   12   11    1 o  129.870   0.9513 16382.60  239.298 16525.12  328.482 16221.43  349.315  130.473   1.2970  129.266   1.3921 1.206055 1.902633 
1 1 1   12   11    2 o  366.140   1.6388 130138.40  1157.75 129707.90  1552.96 130676.90  1737.08  365.470   2.1890  366.810   2.4396 -1.339478 3.277685 
1 1 1   12   11    3 o  174.541   1.1332 29586.06  382.378 29666.96  518.150 29489.30  566.622  174.806   1.5270  174.277   1.6749 0.5293274 2.266490 
1 1 1   12   11    4 o  270.143   1.3198 70861.58  692.072 70656.73  973.124 71071.23  984.450  269.749   1.8584  270.538   1.8746 -0.7889709 2.639643 
1 1 1   12   11    5 o  161.708   1.0755 25405.68  337.181 25021.44  487.198 25758.92  467.127  160.532   1.5634  162.883   1.4774 -2.351700 2.151043 
1 1 1   12   11    6 o  156.339   1.1217 23730.68  340.357 23578.68  476.332 23889.25  486.504  155.829   1.5747  156.850   1.5978 -1.021881 2.243392 
1 1 1   12   11    7 o  107.092   0.8291 11134.69  172.335 11132.54  241.852 11136.90  245.630  107.082   1.1635  107.102   1.1815 -0.2049255E-01 1.658189 
1 1 1   12   11    8 o  107.764   0.8227 11277.51  171.996 11209.06  247.308 11341.63  239.364  107.447   1.1857  108.082   1.1409 -0.6348953 1.645457 
1 1 1   12   11    9 o   74.255   0.6957  5352.73  100.276  5388.59  142.239  5317.30  141.390   74.502   0.9835   74.008   0.9842 0.4945068 1.391375 
1 1 1   12   11   10 f  118.329   0.9308 13600.62  213.736 13410.75  304.785 13784.34  299.811  117.516   1.3361  119.143   1.2963 -1.627426 1.861609 
1 1 1   12   11   11 o  108.074   1.0312 11383.11  206.765 11217.41  346.742 11474.54  257.569  107.448   1.6624  108.699   1.2207 -1.251060 2.062455 
1 1 1   12   11   12 o  131.318   1.0167 16753.02  259.163 16870.85  365.580 16633.99  367.451  131.783   1.4291  130.854   1.4466 0.9297485 2.033448 
1 1 1   12   11   13 o   51.560   0.6657  2579.80   66.610  2656.92   95.569  2506.95   92.890   52.309   0.9412   50.811   0.9418 1.497742 1.331445 
1 1 1   12   11   14 o   68.206   2.3603  4885.87  137.556  4928.03  141.553  4170.68  583.031   71.235   1.0237   65.177   4.6082 6.058250 4.720531 
1 1 1   12   11   15 o   10.621   2.1929  111.788   47.930  107.211   65.311  117.129   70.559   10.392   3.0428   10.850   3.1586 -0.4585667 4.385825 
1 1 1   12   11   16 o   60.503   0.7246  3552.75   84.920  3595.45  124.634  3515.74  116.018   60.841   1.0553   60.166   0.9934 0.6755829 1.449285 
1 1 1   12   11   17 o  122.898   1.1011 14686.71  262.684 14564.02  371.441 14809.47  371.542  122.383   1.5635  123.412   1.5509 -1.028793 2.202247 
1 1 1   12   11   18 o   37.553   0.8530  1372.47   62.069  1331.59   89.665  1410.09   86.006   37.013   1.2480   38.092   1.1631 -1.079033 1.705963 
1 1 1   12   11   19 o   28.571   1.1355  792.798   62.910  841.068   91.293  749.150   86.813   29.398   1.5998   27.744   1.6119 1.653437 2.271045 
1 1 1   12   11   20 o   54.202   0.8003  2855.66   84.203  2863.88  119.083  2847.44  119.080   54.280   1.1302   54.124   1.1334 0.1562347 1.600596 
1 1 1   12   11   21 o   76.541   0.8296  5696.25  123.210  5735.34  177.123  5659.59  171.503   76.794   1.1882   76.289   1.1581 0.5049896 1.659207 
1 1 1   12   11   22 o   52.140   0.7988  2645.10   80.844  2690.28  115.141  2601.17  113.538   52.580   1.1281   51.701   1.1313 0.8784637 1.597638 
1 1 1   12   11   23 o   53.842   0.8040  2820.48   83.989  2719.14  116.725  2929.28  120.945   52.839   1.1380   54.844   1.1360 -2.004093 1.607988 
1 1 1   12   11   24 o   20.449   1.5757  413.197   62.419  383.734   88.333  442.581   88.216   19.707   2.3090   21.190   2.1446 -1.482939 3.151350 
1 1 1   12   11   25 o   25.624   1.2809  645.563   63.620  692.502   92.690  603.753   87.480   26.504   1.8016   24.743   1.8213 1.760742 2.561822 
1 1 1   12   11   26 o   27.493   1.2303  745.454   65.571  795.308   95.564  701.102   90.136   28.360   1.7359   26.625   1.7440 1.734875 2.460656 
1 1 1   12   11   27 o   27.535   1.2560  763.123   66.227  658.961   97.017  854.015   90.627   25.689   1.9455   29.382   1.5890 -3.693232 2.511955 
1 1 1   12   11   28 o   25.555   1.4760  659.756   72.652  768.336  104.666  558.796  100.927   27.648   1.9502   23.462   2.2161 4.186687 2.951946 
1 1 1   12   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   12    0 o  132.340   1.1081 16963.47  271.137 16874.46  335.279 17131.71  460.933  131.844   1.3100  132.836   1.7875 -0.9915619 2.216190 
1 1 1   12   12    1 o  193.445   1.2211 36276.98  455.916 35832.52  611.114 36834.86  684.661  192.114   1.6387  194.776   1.8108 -2.662292 2.442207 
1 1 1   12   12    2 o  111.736   0.9925 12130.71  205.135 12154.16  254.244 12086.96  347.234  111.895   1.1705  111.577   1.6032 0.3177414 1.985018 
1 1 1   12   12    3 o  165.206   1.1254 26546.26  359.000 26985.21  485.589 26017.13  533.140  166.718   1.5005  163.694   1.6778 3.023773 2.250870 
1 1 1   12   12    4 o  250.156   1.2803 60760.79  621.561 60553.07  869.601 60977.78  888.753  249.720   1.7939  250.592   1.8270 -0.8721313 2.560505 
1 1 1   12   12    5 o  187.221   1.1289 34036.81  410.230 34466.68  579.602 33605.30  580.705  188.407   1.5848  186.036   1.6080 2.370270 2.257712 
1 1 1   12   12    6 o   20.037   0.9546  389.893   37.116  402.322   52.530  377.502   52.451   20.356   1.3294   19.718   1.3703 0.6381092 1.909197 
1 1 1   12   12    7 o   47.026   0.6185  2145.83   56.344  2132.65   77.084  2160.96   82.561   46.871   0.8472   47.181   0.9015 -0.3096085 1.237093 
1 1 1   12   12    8 o   72.975   0.6894  5166.49   97.598  5262.30  140.979  5078.31  135.249   73.624   0.9864   72.326   0.9633 1.298126 1.378791 
1 1 1   12   12    9 o   69.698   0.6824  4716.62   92.314  4658.73  130.972  4773.77  130.137   69.273   0.9740   70.124   0.9560 -0.8503571 1.364776 
1 1 1   12   12   10 o  115.192   1.1288 12868.51  238.701 12953.07  411.569 12825.64  293.017  115.462   1.8363  114.922   1.3135 0.5394669 2.257692 
1 1 1   12   12   11 o  212.904   1.2354 44042.84  510.537 44443.88  728.075 43654.89  716.090  213.856   1.7538  211.952   1.7405 1.904800 2.470865 
1 1 1   12   12   12 o  104.063   0.8821 10525.24  178.035 10282.75  255.163 10755.27  248.527  102.892   1.2775  105.233   1.2166 -2.341019 1.764158 
1 1 1   12   12   13 o  129.031   1.0991 16113.45  267.376 15910.30  338.817 16448.80  435.321  127.975   1.3639  130.087   1.7239 -2.112236 2.198180 
1 1 1   12   12   14 o  165.481   1.1591 26620.13  371.924 26607.35  538.913 26631.75  513.935  165.437   1.6781  165.525   1.5995 -0.8799744E-01 2.318270 
1 1 1   12   12   15 o  120.865   0.9856 14196.73  231.228 14347.82  326.477 14044.66  327.537  121.512   1.3841  120.219   1.4035 1.292618 1.971204 
1 1 1   12   12   16 o  149.529   1.3116 21751.93  380.685 21788.66  540.434 21715.75  536.328  149.653   1.8603  149.405   1.8493 0.2484894 2.623102 
1 1 1   12   12   17 o   54.853   0.7286  2921.81   77.355  2934.16  113.983  2911.28  105.321   54.958   1.0684   54.747   0.9910 0.2113457 1.457287 
1 1 1   12   12   18 o   37.878   0.8470  1397.01   62.075  1359.04   90.851  1430.26   85.014   37.392   1.2516   38.364   1.1416 -0.9718742 1.694045 
1 1 1   12   12   19 o   68.670   0.7853  4579.76  104.638  4696.29  150.671  4471.20  145.429   69.512   1.1166   67.827   1.1045 1.685219 1.570621 
1 1 1   12   12   20 o   67.590   0.8136  4433.47  106.655  4627.82  154.879  4258.19  147.089   68.996   1.1564   66.185   1.1449 2.811737 1.627254 
1 1 1   12   12   21 o   26.169   1.3187  678.927   65.596  526.990   93.569  825.762   91.984   23.227   2.0752   29.111   1.6278 -5.883684 2.637461 
1 1 1   12   12   22 o   19.105   1.6616  353.567   61.209  406.935   93.059  312.874   81.261   20.358   2.3548   17.852   2.3450 2.506346 3.323250 
1 1 1   12   12   23 o   51.492   0.8224  2583.07   82.196  2596.82  115.962  2569.19  116.525   51.631   1.1570   51.354   1.1689 0.2774010 1.644707 
1 1 1   12   12   24 o   41.024   0.8609  1652.37   68.064  1528.24   99.990  1759.55   92.913   39.564   1.3019   42.484   1.1266 -2.919899 1.721725 
1 1 1   12   12   25 o   21.323   1.5525  450.480   64.155  478.445   94.014  426.108   87.766   21.937   2.2077   20.708   2.1834 1.229183 3.105015 
1 1 1   12   12   26 o   20.309   1.6593  406.840   64.066  538.395   97.113  305.466   85.248   23.219   2.1546   17.398   2.5241 5.820427 3.318672 
1 1 1   12   12   27 o   18.395   1.7732  339.683   62.871  392.626   95.746  299.552   83.360   19.635   2.5120   17.154   2.5034 2.481789 3.546427 
1 1 1   12   12   28 o   24.295   1.5511  599.115   73.138  614.759  103.993  583.803  102.881   24.617   2.1762   23.973   2.2108 0.6444054 3.102153 
1 1 1   12   12   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13    0 o  168.122   1.1026 27418.46  357.821 27231.83  480.405 27651.01  536.263  167.482   1.4777  168.762   1.6370 -1.279526 2.205244 
1 1 1   12   13    1 o  113.668   0.8625 12533.43  189.943 12399.08  260.073 12687.02  278.069  113.016   1.1855  114.320   1.2530 -1.303650 1.724946 
1 1 1   12   13    2 f  203.092   1.2380 39967.89  484.959 39352.99  647.902 40751.32  731.323  201.324   1.6579  204.861   1.8390 -3.537323 2.475980 
1 1 1   12   13    3 o  217.779   1.2068 46036.05  510.058 45389.77  712.166 46716.70  730.859  216.211   1.6968  219.348   1.7165 -3.136627 2.413605 
1 1 1   12   13    4 o  186.810   1.1400 33881.33  413.329 33721.75  578.588 34047.65  590.670  186.362   1.5994  187.259   1.6249 -0.8972473 2.280000 
1 1 1   12   13    5 o   35.045   0.6612  1192.93   44.749  1199.15   60.399  1185.36   66.627   35.147   0.8853   34.944   0.9822 0.2031975 1.322304 
1 1 1   12   13    6 f   79.341   0.6862  6110.76  105.681  6179.98  149.983  6042.50  148.934   79.787   0.9684   78.895   0.9725 0.8925095 1.372395 
1 1 1   12   13    7 o   66.961   0.6567  4351.79   85.329  4501.46  121.616  4206.66  119.754   68.095   0.9200   65.827   0.9372 2.267761 1.313304 
1 1 1   12   13    8 o  134.391   1.0184 17535.85  265.641 17363.15  372.721 17714.13  378.696  133.718   1.4359  135.063   1.4444 -1.344360 2.036702 
1 1 1   12   13    9 o   28.460   0.9372  806.868   49.265  715.979   80.946  860.341   62.088   27.152   1.5358   29.768   1.0745 -2.616375 1.874335 
1 1 1   12   13   10 o   51.088   0.7290  2550.39   68.754  2480.79  116.133  2587.96   85.312   50.545   1.1836   51.631   0.8512 -1.086102 1.457926 
1 1 1   12   13   11 f   90.320   0.7853  7922.26  137.662  7885.29  195.824  7958.39  193.563   90.111   1.1195   90.529   1.1015 -0.4174881 1.570508 
1 1 1   12   13   12 o  109.301   0.9812 11643.53  203.068 11782.30  260.767 11429.71  323.689  110.142   1.2197  108.460   1.5374 1.681931 1.962456 
1 1 1   12   13   13 o  104.517   0.8614 10616.48  174.566 10466.44  252.036 10754.82  242.016  103.804   1.2508  105.229   1.1848 -1.424469 1.722847 
1 1 1   12   13   14 o   27.655   0.9578  741.920   51.368  699.742   71.175  787.775   74.211   26.836   1.3663   28.474   1.3426 -1.638611 1.915577 
1 1 1   12   13   15 o   44.780   0.7386  1946.97   64.144  2065.00   91.664  1833.71   89.792   46.111   1.0241   43.450   1.0646 2.660179 1.477184 
1 1 1   12   13   16 o   57.221   0.7263  3181.40   80.642  3117.49  114.751  3243.76  113.352   56.653   1.0434   57.790   1.0104 -1.137226 1.452508 
1 1 1   12   13   17 o   51.232   0.7422  2547.74   73.426  2568.57  109.805  2530.89   98.751   51.419   1.1001   51.044   0.9966 0.3741951 1.484416 
1 1 1   12   13   18 o   37.943   0.8748  1388.67   63.908  1479.59   97.936  1321.24   84.340   39.014   1.2932   36.872   1.1784 2.141891 1.749533 
1 1 1   12   13   19 o   24.343   1.3249  584.633   61.707  480.448   88.495  683.229   86.088   22.196   2.0539   26.490   1.6742 -4.293880 2.649775 
1 1 1   12   13   20 o  148.469   1.3158 21485.27  379.206 21448.08  536.022 21522.52  536.535  148.340   1.8615  148.598   1.8600 -0.2576904 2.631503 
1 1 1   12   13   21 o   38.030   0.9635  1404.76   71.042  1469.46  103.686  1347.51   97.533   38.853   1.3748   37.208   1.3504 1.645199 1.927053 
1 1 1   12   13   22 o   87.070   0.8795  7380.11  148.599  7468.99  213.626  7296.79  206.839   87.575   1.2566   86.565   1.2309 1.009438 1.759055 
1 1 1   12   13   23 o   44.502   0.8790  1923.53   75.792  2074.81  111.048  1791.60  103.702   46.135   1.2400   42.869   1.2462 3.265137 1.757973 
1 1 1   12   13   24 o   45.820   0.8437  2060.39   74.431  1935.25  110.529  2164.21  100.682   44.522   1.2789   47.118   1.1008 -2.595867 1.687387 
1 1 1   12   13   25 o   39.320   0.9557  1515.46   72.758  1504.18  106.557  1525.31   99.586   39.170   1.4014   39.471   1.2997 -0.3017159 1.911358 
1 1 1   12   13   26 o   31.750   1.1138  1013.42   67.134  866.925  101.246  1128.37   89.686   29.600   1.7621   33.900   1.3629 -4.299768 2.227635 
1 1 1   12   13   27 o   12.599   2.5337  175.627   65.102  160.236   94.596  189.476   89.734   12.083   3.6922   13.114   3.4707 -1.031326 5.067409 
1 1 1   12   13   28 o   9.1304   2.4575   45.978   69.341 -60.7484  100.535  142.820   95.766   6.8804   3.1843   11.380   3.7439 -4.500010 4.914937 
1 1 1   12   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   14    0 o   69.415   0.7755  4685.98  100.260  4646.86  166.963  4708.04  125.384   69.187   1.2432   69.643   0.9275 -0.4568481 1.551024 
1 1 1   12   14    1 f  206.435   1.2454 41356.44  495.548 41194.29  661.965 41563.16  747.411  205.980   1.6556  206.891   1.8610 -0.9106140 2.490847 
1 1 1   12   14    2 o   53.758   0.5945  2806.13   61.967  2824.77   85.746  2785.75   89.654   53.945   0.8188   53.571   0.8621 0.3740883 1.189014 
1 1 1   12   14    3 o  112.351   0.8421 12253.83  183.616 12247.60  257.115 12260.31  262.306  112.322   1.1792  112.380   1.2024 -0.5781555E-01 1.684154 
1 1 1   12   14    4 o   93.287   0.7801  8445.15  141.234  8681.96  201.742  8217.54  197.785   94.569   1.0990   92.005   1.1074 2.564240 1.560167 
1 1 1   12   14    5 o  172.016   1.0740 28730.63  358.619 28631.95  504.370 28831.54  510.004  171.717   1.5131  172.314   1.5247 -0.5969086 2.148076 
1 1 1   12   14    6 o   10.472   1.8302  111.173   37.157   95.542   53.149  126.116   51.967   9.7706   2.7083   11.174   2.4623 -1.402963 3.660306 
1 1 1   12   14    7 o  155.506   1.0832 23486.23  326.066 23513.87  444.984 23454.19  479.165  155.608   1.4732  155.404   1.5884 0.2041626 2.166375 
1 1 1   12   14    8 o  137.434   1.1516 18371.62  306.329 17951.37  447.816 18741.21  419.954  135.951   1.6969  138.917   1.5573 -2.966141 2.303191 
1 1 1   12   14    9 f  189.720   1.1695 35003.57  426.723 34651.43  647.335 35274.20  567.474  188.865   1.7657  190.575   1.5340 -1.710175 2.338945 
1 1 1   12   14   10 o  105.685   0.8430 10846.98  172.934 10988.73  244.419 10704.89  244.714  106.377   1.1837  104.993   1.2007 1.383621 1.686032 
1 1 1   12   14   11 o   53.235   0.7504  2766.93   73.680  2800.93   91.267  2703.31  124.854   53.711   0.8754   52.759   1.2191 0.9523735 1.500823 
1 1 1   12   14   12 f   52.023   0.6589  2621.97   66.454  2508.96   91.260  2749.52   96.958   50.833   0.9249   53.213   0.9386 -2.380859 1.317724 
1 1 1   12   14   13 o  107.591   0.9008 11243.81  188.122 11199.16  264.095 11289.81  268.039  107.375   1.2670  107.807   1.2808 -0.4327545 1.801632 
1 1 1   12   14   14 o  115.339   0.9507 12917.14  212.788 12591.83  296.118 13264.47  305.978  113.839   1.3400  116.839   1.3491 -3.000114 1.901487 
1 1 1   12   14   15 o  110.153   0.9608 11788.36  205.412 11636.71  287.777 11945.89  293.296  109.432   1.3547  110.875   1.3627 -1.443504 1.921523 
1 1 1   12   14   16 o   39.001   0.8212  1476.99   62.027  1489.10   91.088  1466.52   84.699   39.149   1.1986   38.854   1.1230 0.2954369 1.642490 
1 1 1   12   14   17 o   83.462   1.0398  6797.04  155.823  6709.52  278.918  6836.75  187.876   83.042   1.7303   83.882   1.1538 -0.8407593 2.079698 
1 1 1   12   14   18 o  135.730   1.2089 17929.20  318.511 17863.48  451.335 17994.40  449.554  135.481   1.7162  135.979   1.7031 -0.4983368 2.417810 
1 1 1   12   14   19 o   52.091   0.8031  2635.26   81.087  2676.86  118.303  2598.39  111.361   52.477   1.1614   51.705   1.1095 0.7714729 1.606166 
1 1 1   12   14   20 o   46.676   0.8452  2118.60   76.571  2143.41  108.031  2093.54  108.547   46.952   1.1853   46.401   1.2051 0.5507660 1.690334 
1 1 1   12   14   21 o   61.677   0.8113  3701.51   97.086  3648.50  138.779  3752.31  135.868   61.242   1.1674   62.112   1.1269 -0.8699417 1.622529 
1 1 1   12   14   22 o   45.443   0.8370  2011.13   73.259  2006.06  110.661  2015.08   97.745   45.383   1.2561   45.503   1.1066 -0.1197853 1.674041 
1 1 1   12   14   23 o   13.138   2.4136  178.989   62.019  190.893   91.052  168.685   84.709   13.533   3.4543   12.744   3.3720 0.7897816 4.827222 
1 1 1   12   14   24 o   38.839   0.9314  1472.62   69.942  1485.65  103.825  1461.81   94.638   38.986   1.3719   38.693   1.2600 0.2927437 1.862722 
1 1 1   12   14   25 o   35.105   1.0273  1208.66   69.911  1227.73  101.903  1191.71   96.092   35.358   1.4847   34.853   1.4203 0.5053215 2.054653 
1 1 1   12   14   26 o   14.192   2.1771  217.213   59.004  170.113   89.505  253.414   78.469   12.551   3.5272   15.833   2.5530 -3.282284 4.354245 
1 1 1   12   14   27 o   13.426   2.4638  203.279   67.065  135.472   98.703  261.427   91.404   11.285   3.8032   15.568   3.1331 -4.282774 4.927561 
1 1 1   12   14   28 o   23.671   1.7256  569.594   78.577  474.525  105.621  687.426  117.588   21.430   2.5390   25.913   2.3377 -4.483219 3.451277 
1 1 1   12   15    0 o   39.981   0.5833  1548.74   45.211  1499.47   62.032  1604.57   66.033   39.304   0.8131   40.658   0.8367 -1.353989 1.166645 
1 1 1   12   15    1 o  234.515   1.3195 53317.55  595.881 52733.27  791.940 54080.01  904.673  233.043   1.7506  235.987   1.9749 -2.944000 2.639083 
1 1 1   12   15    2 o  121.936   0.9090 14433.25  215.142 14267.53  302.708 14602.41  305.830  121.229   1.2863  122.644   1.2846 -1.414467 1.817924 
1 1 1   12   15    3 o  128.783   0.9305 16100.29  232.607 16019.34  326.563 16183.66  331.402  128.454   1.3096  129.111   1.3223 -0.6567993 1.861078 
1 1 1   12   15    4 o  257.827   1.3029 64554.94  651.957 64415.32  912.818 64700.32  931.478  257.544   1.8259  258.110   1.8591 -0.5663757 2.605765 
1 1 1   12   15    5 o  205.451   1.1946 40986.13  476.371 40593.75  667.147 41394.27  680.429  204.449   1.6810  206.454   1.6978 -2.004837 2.389238 
1 1 1   12   15    6 o   93.027   0.7622  8399.78  137.620  8255.35  192.871  8549.58  196.427   92.213   1.0775   93.842   1.0783 -1.628838 1.524371 
1 1 1   12   15    7 o  127.650   1.0879 15843.51  259.612 15752.14  428.856 15896.36  326.167  127.349   1.7348  127.951   1.3132 -0.6011963 2.175783 
1 1 1   12   15    8 o   60.215   0.6352  3519.22   74.163  3505.20  102.452  3534.65  107.495   60.089   0.8783   60.341   0.9177 -0.2513962 1.270309 
1 1 1   12   15    9 o  135.680   0.9991 17878.84  262.913 17875.26  380.018 17882.12  364.121  135.666   1.4430  135.695   1.3823 -0.2960205E-01 1.998286 
1 1 1   12   15   10 o  104.731   1.0058 10633.45  196.331 10579.90  245.158 10729.19  327.825  104.376   1.2100  105.087   1.6070 -0.7110291 2.011635 
1 1 1   12   15   11 o   95.429   0.8423  8843.25  156.019  8905.23  222.459  8783.26  218.874   95.757   1.1968   95.100   1.1856 0.6574707 1.684633 
1 1 1   12   15   12 o   75.514   0.6989  5534.90  102.424  5391.23  143.203  5685.38  146.555   74.511   0.9901   76.517   0.9867 -2.005859 1.397772 
1 1 1   12   15   13 o   24.154   1.0117  566.700   47.417  545.386   66.515  588.724   67.615   23.692   1.4463   24.616   1.4150 -0.9238949 2.023389 
1 1 1   12   15   14 o   70.461   0.7144  4821.75   97.718  4863.37  138.314  4780.28  138.075   70.765   1.0069   70.157   1.0139 0.6073685 1.428899 
1 1 1   12   15   15 o   99.007   0.8656  9523.52  166.349  9572.45  235.207  9474.54  235.300   99.262   1.2207   98.753   1.2275 0.5094833 1.731102 
1 1 1   12   15   16 o   75.336   0.7813  5513.53  114.257  5500.19  161.366  5526.94  161.804   75.245   1.1048   75.428   1.1051 -0.1827774 1.562590 
1 1 1   12   15   17 o   70.547   0.7630  4829.61  104.354  4943.84  152.119  4728.07  143.421   71.333   1.0986   69.761   1.0591 1.571442 1.525956 
1 1 1   12   15   18 o   29.739   1.0641  852.249   60.496  904.697   95.346  816.907   78.269   30.493   1.6108   28.985   1.3911 1.508324 2.128288 
1 1 1   12   15   19 o   60.383   0.7836  3534.32   91.583  3660.19  135.738  3429.15  124.081   61.365   1.1395   59.401   1.0761 1.963665 1.567299 
1 1 1   12   15   20 o   76.167   0.8298  5639.02  122.614  5693.33  176.720  5588.60  170.265   76.519   1.1897   75.816   1.1569 0.7033234 1.659501 
1 1 1   12   15   21 o   75.588   0.8346  5561.95  122.402  5422.44  174.314  5697.65  171.916   74.649   1.2029   76.527   1.1573 -1.878189 1.669230 
1 1 1   12   15   22 o   58.173   0.8101  3291.27   91.106  3330.30  135.509  3259.06  123.074   58.480   1.1937   57.866   1.0957 0.6139145 1.620299 
1 1 1   12   15   23 o   35.187   1.0074  1214.52   68.318  1158.28  101.503  1261.10   92.373   34.424   1.5190   35.950   1.3237 -1.525726 2.014789 
1 1 1   12   15   24 o   49.849   0.8435  2417.32   81.413  2536.70  120.403  2316.77  110.503   50.973   1.2168   48.725   1.1683 2.248550 1.686903 
1 1 1   12   15   25 o   26.686   1.2667  699.145   65.041  736.132   99.767  671.804   85.775   27.270   1.8846   26.101   1.6929 1.169676 2.533366 
1 1 1   12   15   26 o   25.276   1.3457  635.026   65.704  632.430   97.716  637.168   88.767   25.199   1.9977   25.353   1.8037 -0.1540222 2.691458 
1 1 1   12   15   27 o   10.376   2.6135  106.717   66.199  124.082   98.382   92.350   89.488   10.918   3.7936   9.8349   3.5957 1.082761 5.226921 
1 1 1   12   15   28 o   12.664   2.7595  185.035   75.336  211.678  104.113  155.753  109.147   13.546   3.8033   11.783   3.9992 1.762980 5.518988 
1 1 1   12   16    0 o  153.672   1.0701 22923.19  317.674 22882.79  428.561 22972.47  473.278  153.524   1.4380  153.820   1.5850 -0.2959595 2.140161 
1 1 1   12   16    1 o   83.056   0.8506  6642.57  128.820  6541.59  156.620  6853.72  226.488   82.091   0.9829   84.021   1.3886 -1.929985 1.701279 
1 1 1   12   16    2 o   52.615   0.6849  2660.57   66.582  2602.30   81.950  2773.73  114.204   51.777   0.8154   53.453   1.1006 -1.676056 1.369739 
1 1 1   12   16    3 o   53.495   0.6711  2727.45   65.510  2635.34   79.372  2924.26  116.022   52.105   0.7847   54.884   1.0890 -2.779308 1.342290 
1 1 1   12   16    4 f  129.049   0.9208 16166.64  230.643 16034.58  322.888 16304.24  329.573  128.511   1.2943  129.587   1.3102 -1.075607 1.841691 
1 1 1   12   16    5 o  101.891   0.7929 10074.17  156.776  9853.27  218.708 10307.65  224.850  100.742   1.1184  103.039   1.1242 -2.296547 1.585717 
1 1 1   12   16    6 o   40.801   0.7185  1625.07   56.039  1562.52   86.282  1670.70   73.699   40.117   1.1080   41.485   0.9152 -1.367432 1.437059 
1 1 1   12   16    7 o  274.358   1.6941 73249.41  893.969 72462.14  1355.39 73855.62  1189.34  273.026   2.5574  275.690   2.2224 -2.664612 3.388105 
1 1 1   12   16    8 o  150.988   1.0300 22140.72  301.852 22252.86  424.649 22026.19  429.151  151.375   1.4451  150.601   1.4680 0.7742615 2.059946 
1 1 1   12   16    9 o  235.475   1.4627 53823.28  647.227 53610.65  817.678 54180.00  1059.09  234.895   1.7933  236.054   2.3113 -1.159698 2.925392 
1 1 1   12   16   10 o   19.515   1.1859  370.893   44.707  326.785   62.874  416.000   63.582   18.337   1.7663   20.692   1.5829 -2.354847 2.371816 
1 1 1   12   16   11 o  113.526   0.8697 12518.10  191.650 12450.92  272.148 12584.18  269.932  113.224   1.2382  113.829   1.2216 -0.6052933 1.739423 
1 1 1   12   16   12 o   87.052   0.7834  7356.54  132.356  7498.67  189.759  7221.88  184.702   87.870   1.1125   86.234   1.1034 1.636513 1.566873 
1 1 1   12   16   13 o   32.077   0.8255  1001.19   51.313  1044.94   71.599  954.981   73.577   32.800   1.1245   31.355   1.2089 1.445389 1.651019 
1 1 1   12   16   14 o   56.396   0.6818  3088.61   74.635  3081.54  104.834  3095.88  106.279   56.331   0.9587   56.461   0.9697 -0.1305504 1.363621 
1 1 1   12   16   15 o   61.588   0.7329  3682.81   87.601  3803.24  125.088  3566.89  122.720   62.576   1.0298   60.600   1.0432 1.976120 1.465871 
1 1 1   12   16   16 o  164.820   1.4376 26448.58  459.940 26399.21  650.137 26498.04  650.770  164.666   2.0339  164.975   2.0321 -0.3084106 2.875114 
1 1 1   12   16   17 o  124.987   1.1187 15196.69  271.415 15041.40  383.311 15352.83  384.370  124.345   1.5880  125.628   1.5761 -1.282799 2.237423 
1 1 1   12   16   18 o   76.676   0.8113  5711.38  120.594  5757.96  175.421  5669.63  166.057   76.970   1.1741   76.382   1.1200 0.5879745 1.622576 
1 1 1   12   16   19 f   72.155   0.7936  5062.83  111.084  4981.85  159.259  5139.55  155.021   71.591   1.1460   72.720   1.0982 -1.128639 1.587227 
1 1 1   12   16   20 o   54.019   0.8048  2839.03   84.244  2802.80  122.424  2871.61  116.104   53.688   1.1747   54.349   1.1005 -0.6612511 1.609656 
1 1 1   12   16   21 o   47.105   0.8530  2162.91   77.856  2087.76  112.285  2232.49  108.047   46.311   1.2490   47.899   1.1620 -1.587723 1.705989 
1 1 1   12   16   22 o   18.386   1.8688  335.914   62.589  471.688   93.670  226.398   84.127   21.917   2.2017   14.854   3.0204 7.062618 3.737651 
1 1 1   12   16   23 o   12.982   2.0797  189.512   58.037   37.904   90.688  294.672   75.530   8.6778   3.4979   17.287   2.2508 -8.608934 4.159497 
1 1 1   12   16   24 o   36.905   0.9821  1336.43   70.142  1266.80  101.435  1400.23   97.099   35.967   1.4529   37.842   1.3218 -1.875740 1.964176 
1 1 1   12   16   25 o   31.674   1.1103  992.550   67.303  957.781  103.219  1018.27   88.769   31.148   1.7071   32.200   1.4201 -1.051853 2.220580 
1 1 1   12   16   26 o   9.0568   2.4950   61.838   63.210   52.480   93.441   69.733   85.828   8.9301   3.5678   9.1835   3.4885 -0.2533550 4.989903 
1 1 1   12   16   27 o   18.423   1.9126  346.145   64.610  483.542   98.825  243.574   85.387   21.812   2.3341   15.034   3.0305 6.777707 3.825168 
1 1 1   12   16   28 o   22.285   2.3474  558.334   93.676  474.322  149.628  612.490  120.132   20.276   3.9436   24.294   2.5474 -4.018129 4.694827 
1 1 1   12   17    0 o  135.174   0.9793 17742.74  256.258 17783.39  349.883 17695.70  376.371  135.343   1.3318  135.006   1.4361 0.3368683 1.958591 
1 1 1   12   17    1 f  106.508   0.8186 11011.27  169.227 11137.16  240.998 10888.82  237.683  107.109   1.1591  105.908   1.1561 1.200813 1.637117 
1 1 1   12   17    2 o   85.046   0.7127  7011.72  117.530  6832.53  161.668  7212.58  171.164   83.895   0.9927   86.197   1.0230 -2.301247 1.425449 
1 1 1   12   17    3 o  136.904   0.9668 18189.14  256.875 17822.49  358.302 18576.89  368.464  135.485   1.3624  138.322   1.3723 -2.837357 1.933685 
1 1 1   12   17    4 o  245.010   1.2872 58300.58  612.121 58007.84  857.039 58605.41  874.566  244.384   1.8066  245.637   1.8341 -1.252869 2.574473 
1 1 1   12   17    5 o  110.002   0.9724 11723.95  202.168 11862.15  326.362 11637.89  257.529  110.521   1.5212  109.482   1.2118 1.038795 1.944849 
1 1 1   12   17    6 o  224.369   1.3308 48919.44  577.966 48670.17  848.887 49134.85  789.117  223.829   1.9537  224.910   1.8075 -1.080719 2.661583 
1 1 1   12   17    7 o  223.435   1.2602 48498.41  546.428 48756.23  764.654 48229.35  781.142  224.044   1.7582  222.826   1.8059 1.218445 2.520432 
1 1 1   12   17    8 o  172.429   1.4126 28845.87  468.593 28560.16  621.040 29223.54  714.031  171.452   1.8660  173.406   2.1212 -1.954117 2.825165 
1 1 1   12   17    9 o   56.296   0.6421  3077.67   70.159  3134.75   98.872  3019.78   99.570   56.822   0.8964   55.770   0.9197 1.052193 1.284286 
1 1 1   12   17   10 o  116.526   0.8783 13189.91  198.614 13070.53  283.534 13304.93  278.303  116.007   1.2591  117.045   1.2249 -1.037666 1.756615 
1 1 1   12   17   11 o   32.688   0.7584  1038.59   48.073  990.735   68.313  1085.54   67.663   31.940   1.1018   33.435   1.0425 -1.494320 1.516838 
1 1 1   12   17   12 f   24.011   0.9628  559.898   44.764  562.458   65.743  557.686   61.120   24.061   1.4076   23.960   1.3141 0.1007767 1.925635 
1 1 1   12   17   13 o   59.043   0.6725  3385.22   77.071  3404.03  109.406  3366.69  108.587   59.206   0.9520   58.880   0.9500 0.3255577 1.344914 
1 1 1   12   17   14 o   85.768   0.8019  7145.29  133.502  7173.09  189.489  7117.90  188.119   85.933   1.1359   85.602   1.1321 0.3310242 1.603749 
1 1 1   12   17   15 o   79.582   0.7895  6150.11  121.935  6023.61  170.534  6282.44  174.416   78.745   1.1156   80.419   1.1173 -1.673889 1.578903 
1 1 1   12   17   16 o   14.832   1.9083  218.071   53.649  245.860   77.497  192.497   74.344   15.877   2.5145   13.786   2.8713 2.090730 3.816673 
1 1 1   12   17   17 o   21.117   1.3614  442.686   54.352  391.853   84.236  478.946   71.144   20.049   2.1644   22.186   1.6520 -2.136543 2.722782 
1 1 1   12   17   18 o  114.624   1.0499 12780.61  233.587 12539.74  328.313 13027.52  332.410  113.530   1.4898  115.718   1.4798 -2.188850 2.099811 
1 1 1   12   17   19 o   62.920   0.7818  3850.38   95.128  3818.79  140.437  3877.15  129.311   62.677   1.1543   63.163   1.0547 -0.4851265 1.563533 
1 1 1   12   17   20 o   81.050   0.8474  6381.02  133.139  6526.66  194.343  6252.22  182.764   81.917   1.2222   80.182   1.1742 1.734306 1.694837 
1 1 1   12   17   21 o   36.069   1.1767  1269.99   79.531  1270.87  100.203  1268.51  130.742   36.112   1.4294   36.026   1.8695 0.8558655E-01 2.353391 
1 1 1   12   17   22 o   22.202   1.4865  483.817   64.042  483.819   91.840  483.815   89.349   22.199   2.1313   22.206   2.0728 -0.6750107E-02 2.973011 
1 1 1   12   17   23 o   12.261   2.3906  147.830   60.863  224.068   92.259   89.088   80.985   14.659   3.3194   9.8642   3.4411 4.794526 4.781181 
1 1 1   12   17   24 o   53.043   0.8225  2746.25   84.463  2764.60  124.208  2730.47  115.198   53.196   1.2028   52.889   1.1221 0.3070679 1.644932 
1 1 1   12   17   25 f   15.994   2.0431  273.671   60.164  216.699   91.414  317.207   79.911   14.197   3.3678   17.790   2.3140 -3.592259 4.086194 
1 1 1   12   17   26 o   34.527   1.0919  1195.09   71.972  1030.41  106.785  1332.18   97.426   32.250   1.7058   36.805   1.3637 -4.554768 2.183856 
1 1 1   12   17   27 o   7.4650   2.3221  -6.5147   64.617 -15.9685   99.612   0.3534   84.904   7.5892   3.3729   7.3408   3.1926 0.2484503 4.644252 
1 1 1   12   17   28 o   12.788   3.0414  195.180   92.982  124.987  144.682  244.572  121.364   11.272   4.4598   14.303   4.1364 -3.030924 6.082744 
1 1 1   12   18    0 f  182.334   1.1855 32267.43  417.607 32131.97  563.182 32432.88  622.423  181.913   1.5949  182.755   1.7545 -0.8420563 2.371031 
1 1 1   12   18    1 o   92.214   0.7557  8250.49  135.204  8124.08  187.758  8386.63  194.853   91.480   1.0573   92.947   1.0800 -1.466103 1.511372 
1 1 1   12   18    2 o  140.317   0.9819 19114.23  267.429 18928.75  375.445 19305.27  381.021  139.626   1.3852  141.007   1.3920 -1.381622 1.963795 
1 1 1   12   18    3 o   96.349   0.7735  9010.56  144.639  8918.31  202.413  9106.81  206.758   95.845   1.0879   96.852   1.0997 -1.007317 1.546939 
1 1 1   12   18    4 o  104.830   0.9693 10646.92  190.144 10581.61  238.652 10760.44  314.643  104.397   1.1776  105.264   1.5398 -0.8665009 1.938536 
1 1 1   12   18    5 o  186.364   1.2019 33731.49  433.838 33761.73  635.302 33705.08  593.870  186.438   1.7554  186.290   1.6422 0.1478729 2.403840 
1 1 1   12   18    6 f   99.087   0.8186  9530.97  157.435  9381.89  221.069  9684.39  224.257   98.301   1.1585   99.873   1.1567 -1.572266 1.637130 
1 1 1   12   18    7 f  193.893   1.3923 36361.53  514.343 35691.77  663.501 37370.05  814.192  191.684   1.7832  196.103   2.1388 -4.419067 2.784650 
1 1 1   12   18    8 o   64.256   0.6596  4008.21   82.240  4019.93  118.166  3997.20  114.529   64.347   0.9460   64.165   0.9195 0.1816711 1.319250 
1 1 1   12   18    9 o   81.065   0.7494  6382.02  117.892  6334.35  168.237  6428.00  165.252   80.767   1.0731   81.363   1.0463 -0.5957718 1.498726 
1 1 1   12   18   10 o  113.694   0.9052 12545.29  199.636 12805.48  288.701 12306.88  276.359  114.822   1.2953  112.566   1.2647 2.255676 1.810324 
1 1 1   12   18   11 o   30.447   0.8204  901.144   48.439  877.182   69.484  923.799   67.563   30.052   1.1911   30.842   1.1285 -0.7892952 1.640792 
1 1 1   12   18   12 o   47.008   0.6570  2144.76   59.881  2163.36   87.053  2128.06   82.498   47.201   0.9501   46.815   0.9078 0.3856850 1.314084 
1 1 1   12   18   13 o   25.248   0.9963  619.734   48.808  600.893   69.251  638.330   68.801   24.866   1.4347   25.630   1.3829 -0.7640400 1.992628 
1 1 1   12   18   14 o   19.086   1.3079  353.755   48.238  360.086   71.985  348.594   64.988   19.239   1.9276   18.933   1.7683 0.3059254 2.615803 
1 1 1   12   18   15 o   82.470   0.8014  6604.77  128.262  6776.67  183.355  6440.04  179.488   83.521   1.1309   81.420   1.1356 2.101135 1.602706 
1 1 1   12   18   16 o   18.955   1.5893  369.483   52.948  219.855   74.711  520.471   75.050   14.779   2.7038   23.131   1.6714 -8.351582 3.178682 
1 1 1   12   18   17 o   35.328   0.8703  1223.07   59.071  1128.77   88.022  1300.35   79.679   34.074   1.3308   36.581   1.1221 -2.506950 1.740675 
1 1 1   12   18   18 o   54.923   0.7785  2922.84   82.785  3052.56  122.426  2813.55  112.370   56.041   1.1254   53.806   1.0759 2.235439 1.556917 
1 1 1   12   18   19 o   70.217   0.8043  4794.16  109.546  4757.17  157.661  4828.69  152.320   69.953   1.1611   70.481   1.1133 -0.5284958 1.608579 
1 1 1   12   18   20 o   33.272   1.0250  1096.26   64.835  967.712   98.703  1193.81   85.986   31.514   1.6135   35.029   1.2645 -3.514753 2.049960 
1 1 1   12   18   21 o   36.205   0.9803  1266.78   68.501  1374.14  103.849  1184.10   91.141   37.547   1.4248   34.862   1.3468 2.685150 1.960582 
1 1 1   12   18   22 o   47.607   0.8574  2209.48   79.129  2186.90  114.587  2230.07  109.404   47.369   1.2462   47.845   1.1780 -0.4758682 1.714806 
1 1 1   12   18   23 o   38.378   0.9327  1438.79   68.844  1432.10  104.588  1443.90   91.449   38.284   1.4073   38.472   1.2245 -0.1886101 1.865496 
1 1 1   12   18   24 o   32.541   1.0541  1041.65   66.208  1008.83   98.095  1069.11   89.727   32.048   1.5768   33.034   1.3993 -0.9851761 2.108137 
1 1 1   12   18   25 o   14.343   2.2538  226.861   62.934  144.375   94.917  291.572   84.070   11.694   3.7177   16.992   2.5488 -5.297321 4.507522 
1 1 1   12   18   26 o   25.944   1.3421  677.272   66.376  631.643  101.927  710.870   87.463   25.105   2.0915   26.783   1.6823 -1.677397 2.684151 
1 1 1   12   18   27 f   20.800   1.6989  443.186   68.156  430.603  101.306  453.590   92.122   20.463   2.5504   21.136   2.2453 -0.6729984 3.397891 
1 1 1   12   18   28 o   24.737   2.0483  656.048   97.217  608.138  144.893  695.277  131.110   23.712   3.1478   25.762   2.6217 -2.050131 4.096601 
1 1 1   12   19    0 f  145.975   0.9970 20684.86  282.462 20469.24  394.946 20910.62  404.136  145.197   1.4013  146.753   1.4187 -1.556427 1.994008 
1 1 1   12   19    1 o  101.437   0.8080  9989.27  159.092 10011.83  225.450  9966.89  224.531  101.551   1.1437  101.323   1.1416 0.2281113 1.615912 
1 1 1   12   19    2 o   31.703   0.6593  974.377   40.541  945.244   55.948  1006.59   58.826   31.204   0.9236   32.201   0.9411 -0.9964867 1.318639 
1 1 1   12   19    3 o   84.307   0.7144  6898.68  116.897  7031.75  166.655  6769.81  164.012   85.107   1.0088   83.506   1.0118 1.600250 1.428751 
1 1 1   12   19    4 o   71.029   0.6583  4898.74   90.740  4999.49  127.987  4796.92  128.668   71.763   0.9188   70.294   0.9429 1.469223 1.316533 
1 1 1   12   19    5 o   56.656   0.6054  3111.05   66.491  3025.86   91.265  3207.42   97.067   55.830   0.8421   57.481   0.8699 -1.650238 1.210756 
1 1 1   12   19    6 f  117.112   0.9035 13312.82  205.100 13240.58  282.115 13393.80  298.707  116.776   1.2445  117.447   1.3102 -0.6712875 1.807067 
1 1 1   12   19    7 o   94.461   0.9477  8677.81  166.038  8708.87  206.530  8621.05  279.192   94.707   1.1234   94.214   1.5266 0.4932632 1.895388 
1 1 1   12   19    8 o   75.672   0.6970  5557.84  102.363  5667.85  146.469  5452.81  143.116   76.404   0.9876   74.941   0.9838 1.463264 1.393964 
1 1 1   12   19    9 o  189.389   1.2844 34861.01  472.174 34878.75  665.366 34843.01  670.168  189.438   1.8094  189.339   1.8234 0.9906006E-01 2.568765 
1 1 1   12   19   10 o   86.577   0.7525  7278.72  126.472  7274.81  178.833  7282.64  178.885   86.553   1.0644   86.600   1.0641 -0.4656219E-01 1.505080 
1 1 1   12   19   11 o   89.057   0.7618  7702.24  131.654  7705.35  188.523  7699.28  183.937   89.074   1.0903   89.040   1.0642 0.3386688E-01 1.523563 
1 1 1   12   19   12 o  106.809   0.8535 11082.60  176.938 10897.00  250.388 11267.73  250.067  105.915   1.2178  107.703   1.1961 -1.788155 1.706971 
1 1 1   12   19   13 o   93.700   0.8234  8528.55  149.770  8546.76  211.374  8510.18  212.242   93.800   1.1609   93.599   1.1681 0.2014389 1.646866 
1 1 1   12   19   14 o  108.186   0.9816 11373.60  206.143 11248.49  290.252 11500.94  292.826  107.586   1.3898  108.787   1.3867 -1.200874 1.963259 
1 1 1   12   19   15 o   28.910   0.9790  812.495   54.927  791.795   77.693  833.180   77.664   28.542   1.4023   29.279   1.3665 -0.7374535 1.957978 
1 1 1   12   19   16 o   49.011   0.7280  2332.81   69.246  2259.79   97.072  2408.48   98.809   48.230   1.0368   49.792   1.0223 -1.562126 1.456050 
1 1 1   12   19   17 o  131.240   1.1667 16759.20  297.229 16794.58  421.687 16724.26  419.016  131.377   1.6535  131.103   1.6465 0.2739410 2.333441 
1 1 1   12   19   18 o  103.093   0.9631 10333.24  192.679 10479.52  276.751 10195.63  268.418  103.799   1.3735  102.387   1.3505 1.411980 1.926246 
1 1 1   12   19   19 o   35.012   1.1972  1237.28   74.178  1085.41  131.808  1307.68   89.737   33.354   2.0358   36.669   1.2607 -3.314789 2.394498 
1 1 1   12   19   20 o   56.741   0.7739  3117.69   84.514  3229.08  129.151  3034.27  111.767   57.617   1.1547   55.864   1.0307 1.752899 1.547787 
1 1 1   12   19   21 o   71.849   0.8149  5027.55  113.520  4964.46  163.927  5085.69  157.358   71.410   1.1826   72.288   1.1214 -0.8776703 1.629719 
1 1 1   12   19   22 o   10.885   2.5227  111.902   61.774  144.987   92.868   85.644   82.732   11.955   3.6592   9.8155   3.4738 2.139254 5.045497 
1 1 1   12   19   23 o   26.769   1.2418  699.417   64.200  738.779   96.712  668.405   85.842   27.428   1.8164   26.109   1.6937 1.319233 2.483571 
1 1 1   12   19   24 o   21.527   1.4778  460.440   61.078  454.402   93.126  464.998   80.912   21.367   2.2453   21.687   1.9220 -0.3198090 2.955561 
1 1 1   12   19   25 f   20.952   1.5696  436.132   63.547  470.698   95.582  408.748   85.073   21.676   2.2716   20.228   2.1666 1.448254 3.139136 
1 1 1   12   19   26 f   15.496   2.1166  274.444   59.290  177.985   94.902  336.195   75.933   12.702   3.6533   18.289   2.1388 -5.587015 4.233279 
1 1 1   12   19   27 o   34.702   1.1202  1189.18   75.232  1304.91  111.594  1092.75  101.859   36.239   1.5863   33.165   1.5822 3.074619 2.240483 
1 1 1   12   19   28 o   21.820   2.2053  500.341   91.984  628.858  145.093  413.976  118.941   24.105   3.1008   19.535   3.1366 4.570772 4.410576 
1 1 1   12   20    0 o  153.597   1.0292 22905.94  306.842 22722.85  430.823 23094.42  437.127  152.975   1.4508  154.220   1.4602 -1.245224 2.058388 
1 1 1   12   20    1 o  191.299   1.1449 35538.44  425.122 35472.46  596.392 35606.59  606.153  191.120   1.6075  191.479   1.6308 -0.3594208 2.289896 
1 1 1   12   20    2 o  247.313   1.3811 59440.13  660.681 59138.08  975.186 59696.38  898.238  246.722   2.0362  247.903   1.8666 -1.180756 2.762258 
1 1 1   12   20    3 o  225.724   1.2577 49491.86  551.042 50316.08  780.029 48670.75  778.555  227.601   1.7655  223.846   1.7917 3.754669 2.515423 
1 1 1   12   20    4 o  147.080   1.0168 21000.87  290.200 20811.89  404.036 21202.25  417.086  146.398   1.4217  147.762   1.4541 -1.364929 2.033662 
1 1 1   12   20    5 o  106.142   0.8342 10933.57  171.616 10852.93  235.823 11024.35  250.220  105.727   1.1490  106.557   1.2097 -0.8298874 1.668423 
1 1 1   12   20    6 o  122.174   0.9008 14488.15  213.528 14323.32  296.750 14665.13  307.486  121.454   1.2587  122.893   1.2889 -1.439346 1.801558 
1 1 1   12   20    7 o  142.381   0.9950 19688.69  274.989 19680.74  387.502 19696.75  390.298  142.352   1.4023  142.410   1.4119 -0.5726624E-01 1.989933 
1 1 1   12   20    8 o  126.111   0.9861 15448.65  241.382 15596.44  340.989 15300.19  341.743  126.716   1.3863  125.506   1.4027 1.210358 1.972136 
1 1 1   12   20    9 o  137.383   0.9969 18333.76  265.804 18294.24  372.308 18374.84  379.606  137.233   1.3976  137.533   1.4219 -0.2999573 1.993732 
1 1 1   12   20   10 o  122.280   0.9153 14524.06  217.250 14535.32  306.022 14512.63  308.468  122.328   1.2887  122.231   1.3001 0.9635162E-01 1.830565 
1 1 1   12   20   11 o   25.477   0.9181  641.327   44.633  539.638   65.714  728.406   60.811   23.567   1.4364   27.386   1.1439 -3.818546 1.836246 
1 1 1   12   20   12 o   50.356   0.6760  2464.45   65.967  2426.76   95.763  2498.48   91.003   49.989   0.9869   50.724   0.9242 -0.7350311 1.352079 
1 1 1   12   20   13 o   47.513   0.7064  2192.78   65.071  2338.21   92.681  2051.41   91.382   49.068   0.9730   45.959   1.0243 3.109119 1.412794 
1 1 1   12   20   14 o  101.489   0.8716 10005.36  171.690 10177.90  244.700  9838.06  240.955  102.350   1.2316  100.627   1.2335 1.723419 1.743146 
1 1 1   12   20   15 o   55.191   0.7231  2958.78   77.466  2956.39  110.106  2961.13  109.009   55.168   1.0281   55.213   1.0171 -0.4475784E-01 1.446217 
1 1 1   12   20   16 o  106.364   0.9745 10995.91  201.162 11172.98  288.108 10827.48  280.998  107.199   1.3845  105.530   1.3717 1.668808 1.948976 
1 1 1   12   20   17 o   75.248   0.7871  5498.17  114.885  5605.35  166.252  5400.22  158.938   75.948   1.1277   74.548   1.0983 1.400314 1.574162 
1 1 1   12   20   18 o   32.748   0.9644  1040.08   60.872  1067.24   92.246  1019.12   81.016   33.122   1.4347   32.374   1.2892 0.7481918 1.928822 
1 1 1   12   20   19 o   68.658   0.7851  4581.06  104.471  4610.75  152.333  4554.70  143.547   68.865   1.1395   68.451   1.0803 0.4139557 1.570221 
1 1 1   12   20   20 o   34.149   1.2223  1165.97   76.245  1228.22   94.625  1050.77  128.738   35.514   1.3726   32.785   2.0229 2.729126 2.444591 
1 1 1   12   20   21 o   22.765   1.4169  513.002   61.442  476.767   94.621  539.420   80.792   22.040   2.2116   23.490   1.7718 -1.450108 2.833790 
1 1 1   12   20   22 o   21.668   1.4749  458.850   61.844  508.251   91.481  417.270   83.928   22.737   2.0726   20.599   2.0990 2.138702 2.949823 
1 1 1   12   20   23 o   39.687   0.9325  1536.94   71.643  1563.68  105.724  1514.24   97.421   39.997   1.3617   39.377   1.2745 0.6201973 1.865091 
1 1 1   12   20   24 o   26.126   1.2276  675.494   61.763  652.680   92.449  693.885   83.005   25.698   1.8533   26.555   1.6103 -0.8573627 2.455127 
1 1 1   12   20   25 o   21.332   1.5314  453.830   63.209  465.927   93.680  443.720   85.642   21.572   2.2372   21.092   2.0917 0.4796429 3.062721 
1 1 1   12   20   26 o   25.159   1.3318  625.675   63.964  666.294  101.254  598.700   82.512   25.778   2.0235   24.541   1.7321 1.237223 2.663576 
1 1 1   12   20   27 o   9.0170   2.5283   46.699   68.513  116.103  102.927  -8.5207   91.809   10.638   3.8612   7.3964   3.2650 3.241291 5.056612 
1 1 1   12   20   28 o   7.7614   2.4940 -54.7618   88.004 -211.8644  146.247   34.418  110.187   6.8344   3.3391   8.6883   3.7056 -1.853901 4.988071 
1 1 1   12   21    0 o   40.955   0.5656  1627.34   44.935  1606.16   62.254  1650.38   64.925   40.677   0.7884   41.233   0.8112 -0.5559883 1.131183 
1 1 1   12   21    1 o  151.737   1.0344 22358.47  304.685 22468.44  430.370 22247.97  431.413  152.111   1.4575  151.362   1.4683 0.7486877 2.068873 
1 1 1   12   21    2 o   53.494   0.7541  2742.42   71.300  2693.29   84.452  2864.34  133.042   52.673   0.8260   54.314   1.2619 -1.640900 1.508147 
1 1 1   12   21    3 o  160.640   1.0452 25052.21  325.879 24670.76  455.893 25450.76  466.000  159.390   1.4735  161.890   1.4829 -2.499527 2.090444 
1 1 1   12   21    4 o  113.832   0.8859 12576.20  195.591 12457.33  270.688 12706.07  282.932  113.271   1.2311  114.394   1.2741 -1.123802 1.771709 
1 1 1   12   21    5 o  116.073   0.8870 13081.71  199.857 13161.17  283.389 13003.08  281.899  116.424   1.2539  115.723   1.2549 0.7014084 1.774020 
1 1 1   12   21    6 o  214.103   1.2408 44527.20  515.617 44230.44  721.722 44836.57  736.899  213.376   1.7424  214.830   1.7670 -1.454300 2.481644 
1 1 1   12   21    7 f   36.422   0.6932  1296.02   48.699  1162.26   70.197  1420.11   67.616   34.598   1.0452   38.245   0.9108 -3.647533 1.386351 
1 1 1   12   21    8 f  133.991   0.9716 17436.44  252.694 17276.59  353.987 17602.54  360.839  133.365   1.3673  134.617   1.3809 -1.251129 1.943297 
1 1 1   12   21    9 o   93.611   0.7914  8509.60  143.785  8489.67  201.049  8530.47  205.716   93.500   1.1077   93.723   1.1307 -0.2233505 1.582892 
1 1 1   12   21   10 o   36.101   0.7286  1272.74   50.768  1167.94   73.741  1367.18   69.998   34.679   1.0954   37.523   0.9610 -2.844147 1.457208 
1 1 1   12   21   11 o   40.524   0.6641  1596.08   52.194  1534.57   74.361  1655.82   73.278   39.753   0.9636   41.295   0.9141 -1.541645 1.328236 
1 1 1   12   21   12 o   49.543   0.6805  2384.31   65.410  2288.52   92.328  2480.83   92.681   48.544   0.9798   50.543   0.9446 -1.999516 1.361007 
1 1 1   12   21   13 o  123.835   0.9869 14898.33  237.197 14671.73  331.736 15135.38  339.287  122.873   1.3908  124.798   1.4005 -1.925323 1.973800 
1 1 1   12   21   14 o   64.682   0.7077  4064.90   88.823  3942.79  125.830  4186.17  125.400   63.713   1.0174   65.651   0.9840 -1.938488 1.415393 
1 1 1   12   21   15 f   38.252   0.8087  1421.29   60.040  1444.64   85.675  1398.76   84.164   38.560   1.1446   37.943   1.1427 0.6171913 1.617363 
1 1 1   12   21   16 o   22.067   1.2983  474.995   55.468  460.303   80.678  488.166   76.385   21.740   1.9117   22.394   1.7571 -0.6542549 2.596572 
1 1 1   12   21   17 o   54.845   0.7407  2924.64   78.721  2892.29  114.347  2953.79  108.536   54.555   1.0798   55.136   1.0141 -0.5809669 1.481308 
1 1 1   12   21   18 o   53.073   0.7531  2738.36   77.409  2723.96  113.275  2750.98  106.029   52.940   1.1023   53.206   1.0266 -0.2667961 1.506284 
1 1 1   12   21   19 o   61.382   0.7715  3664.55   91.699  3639.84  134.264  3686.15  125.540   61.185   1.1304   61.580   1.0502 -0.3953400 1.542999 
1 1 1   12   21   20 o   69.891   0.7946  4745.41  107.495  4843.16  158.869  4662.87  145.989   70.548   1.1601   69.234   1.0863 1.314552 1.589266 
1 1 1   12   21   21 f   67.784   0.7938  4469.49  104.020  4512.71  154.617  4433.75  140.594   68.074   1.1701   67.494   1.0731 0.5804825 1.587632 
1 1 1   12   21   22 o   43.878   0.8696  1881.05   73.727  1838.19  108.968  1917.23  100.124   43.405   1.2933   44.351   1.1630 -0.9455261 1.739282 
1 1 1   12   21   23 o   12.352   2.4258  158.467   61.050  197.146   88.266  122.991   84.532   13.678   3.3507   11.026   3.5088 2.652568 4.851682 
1 1 1   12   21   24 o   10.604   2.4510  114.938   57.745  102.571   91.571  123.103   74.405   10.359   3.6559   10.849   3.2656 -0.4899197 4.901987 
1 1 1   12   21   25 o   9.4116   2.5051   72.292   62.359   98.296   93.220   51.231   83.893   10.200   3.6789   8.6235   3.4010 1.576120 5.010110 
1 1 1   12   21   26 o   16.337   2.1613  300.187   64.528  201.934   98.259  374.692   85.564   13.445   3.6646   19.228   2.2924 -5.783885 4.322515 
1 1 1   12   21   27 o   14.325   2.4308  231.280   66.358  223.600  101.142  237.085   87.929   13.988   3.6766   14.663   3.1807 -0.6751690 4.861517 
1 1 1   12   22    0 o  144.758   0.9901 20336.33  278.128 19829.15  387.815 20873.44  399.092  142.900   1.3981  146.615   1.4023 -3.714401 1.980134 
1 1 1   12   22    1 f  115.016   0.8769 12843.23  195.780 13001.40  278.310 12688.27  275.462  115.717   1.2390  114.315   1.2413 1.402061 1.753860 
1 1 1   12   22    2 o   58.408   0.6120  3304.75   69.269  3197.18   94.720  3428.42  101.561   57.389   0.8503   59.428   0.8804 -2.038765 1.223929 
1 1 1   12   22    3 o  219.346   1.2893 46670.54  545.976 46140.19  732.811 47332.23  818.534  217.956   1.7320  220.736   1.9103 -2.780579 2.578596 
1 1 1   12   22    4 o  212.488   1.2290 43834.68  506.727 43131.50  704.716 44587.46  729.149  210.726   1.7228  214.250   1.7532 -3.524307 2.457981 
1 1 1   12   22    5 o   66.108   0.7510  4215.30   92.531  4145.80  115.233  4341.46  155.255   65.348   0.9084   66.867   1.1961 -1.518456 1.501951 
1 1 1   12   22    6 o   90.311   0.7686  7914.69  134.694  8121.58  193.381  7719.74  187.718   91.457   1.0893   89.165   1.0845 2.291130 1.537112 
1 1 1   12   22    7 o   59.575   0.6437  3446.54   74.427  3403.31  105.926  3488.70  104.596   59.205   0.9217   59.944   0.8989 -0.7386169 1.287437 
1 1 1   12   22    8 o  128.609   0.9846 16061.18  245.600 16202.66  355.413 15931.87  339.777  129.149   1.4177  128.069   1.3667 1.079910 1.969213 
1 1 1   12   22    9 f   83.335   0.7600  6744.97  122.914  6588.76  173.829  6901.18  173.824   82.369   1.0872   84.300   1.0622 -1.931282 1.519946 
1 1 1   12   22   10 o   74.658   0.7018  5412.54  101.694  5408.95  145.019  5416.01  142.644   74.633   1.0010   74.683   0.9839 -0.4930878E-01 1.403607 
1 1 1   12   22   11 o  117.407   0.9355 13391.61  213.036 13374.29  295.354 13410.39  307.575  117.330   1.2968  117.484   1.3487 -0.1536255 1.870988 
1 1 1   12   22   12 o  139.686   1.1400 18968.50  309.105 18919.82  437.372 19017.08  436.909  139.506   1.6151  139.865   1.6092 -0.3589478 2.279928 
1 1 1   12   22   13 o   92.186   0.8197  8253.25  146.664  8438.40  209.385  8074.92  205.497   93.201   1.1573   91.172   1.1611 2.029671 1.639403 
1 1 1   12   22   14 o   98.763   0.8799  9476.88  168.686  9352.04  237.185  9604.65  239.954   98.105   1.2455   99.421   1.2433 -1.316345 1.759839 
1 1 1   12   22   15 o   81.526   0.8113  6457.94  128.399  6437.12  180.992  6479.03  182.181   81.394   1.1455   81.658   1.1493 -0.2642212 1.622695 
1 1 1   12   22   16 o   83.503   0.8252  6774.50  133.737  6903.02  190.891  6650.62  187.421   84.281   1.1668   82.726   1.1671 1.555145 1.650315 
1 1 1   12   22   17 o   36.691   0.8668  1305.00   61.431  1345.81   92.170  1272.39   82.401   37.203   1.2763   36.179   1.1733 1.023888 1.733661 
1 1 1   12   22   18 o   9.1960   2.3797   62.516   55.685   94.156   84.818   38.547   73.824   10.237   3.5244   8.1547   3.1986 2.082765 4.759454 
1 1 1   12   22   19 o   61.144   0.7594  3625.73   89.945  3768.18  132.436  3503.77  122.541   62.253   1.0959   60.034   1.0515 2.219620 1.518800 
1 1 1   12   22   20 o   62.408   0.7759  3794.39   93.696  3725.00  137.390  3854.72  128.109   61.868   1.1440   62.949   1.0484 -1.081497 1.551734 
1 1 1   12   22   21 o   63.022   0.7855  3873.71   95.712  3789.03  140.957  3946.15  130.376   62.372   1.1642   63.672   1.0548 -1.300018 1.571017 
1 1 1   12   22   22 o   30.782   1.0864  928.100   64.669  909.916   95.141  943.717   88.169   30.490   1.6075   31.073   1.4617 -0.5837250 2.172702 
1 1 1   12   22   23 f   15.102   2.1110  232.479   60.516  301.088   89.467  174.616   82.163   17.339   2.6581   12.864   3.2802 4.475549 4.221981 
1 1 1   12   22   24 o   29.901   1.1135  869.709   64.211  988.124   97.671  779.572   85.215   31.667   1.5889   28.135   1.5603 3.532059 2.226910 
1 1 1   12   22   25 o   36.305   0.9917  1303.79   69.112  1245.26  104.507  1349.28   92.136   35.536   1.5150   37.074   1.2802 -1.537876 1.983483 
1 1 1   12   22   26 o   14.921   2.2775  242.377   63.823  248.711   94.803  237.127   86.311   15.050   3.3329   14.792   3.1048 0.2580633 4.555002 
1 1 1   12   22   27 o   25.593   1.3576  664.701   65.701  641.521  104.306  679.945   84.590   25.104   2.1405   26.083   1.6707 -0.9791031 2.715282 
1 1 1   12   23    0 o  114.060   1.0991 12626.43  243.274 12257.07  339.304 13017.17  348.983  112.344   1.5559  115.775   1.5528 -3.431175 2.198182 
1 1 1   12   23    1 o  235.301   1.2864 53793.93  587.425 54514.27  824.443 53051.14  837.193  236.904   1.7928  233.698   1.8455 3.206085 2.572881 
1 1 1   12   23    2 o  132.421   0.9631 17019.30  247.385 16833.06  342.667 17222.04  357.516  131.665   1.3407  133.176   1.3829 -1.510727 1.926148 
1 1 1   12   23    3 o  209.264   1.2270 42518.52  498.061 42105.65  689.760 42968.30  719.940  208.206   1.7066  210.323   1.7634 -2.116806 2.453991 
1 1 1   12   23    4 o   48.723   0.7102  2270.93   64.732  2183.73   80.627  2429.08  108.579   47.428   0.8758   50.018   1.1183 -2.590034 1.420388 
1 1 1   12   23    5 o  208.478   1.2241 42225.07  495.284 42179.05  693.274 42273.04  707.827  208.364   1.7140  208.592   1.7481 -0.2279968 2.448210 
1 1 1   12   23    6 o  127.204   0.9315 15715.19  230.021 15665.81  324.273 15765.19  326.334  127.004   1.3153  127.405   1.3195 -0.4019165 1.863099 
1 1 1   12   23    7 o   39.912   0.6507  1544.55   50.329  1581.59   73.706  1512.20   68.889   40.360   0.9408   39.465   0.8992 0.8946953 1.301421 
1 1 1   12   23    8 o  105.145   0.8391 10736.90  171.271 10718.84  241.339 10755.22  243.099  105.056   1.1834  105.234   1.1900 -0.1777954 1.678298 
1 1 1   12   23    9 o  154.946   1.1408 23325.48  343.057 23023.02  479.578 23642.42  490.933  153.918   1.6051  155.973   1.6215 -2.054718 2.281559 
1 1 1   12   23   10 o   7.8674   1.9973   46.053   40.147   75.602   57.885   18.662   55.730   8.9621   2.9089   6.7728   2.7378 2.189351 3.994689 
1 1 1   12   23   11 o   51.220   0.6553  2538.71   64.987  2669.11   96.165  2429.10   88.166   52.426   0.9449   50.015   0.9081 2.411587 1.310558 
1 1 1   12   23   12 f   71.505   0.7258  4965.54  100.726  5102.17  143.074  4831.27  141.829   72.480   1.0169   70.529   1.0359 1.951286 1.451636 
1 1 1   12   23   13 o  105.360   0.9271 10783.90  189.595 10984.56  270.865 10591.16  265.472  106.321   1.3124  104.400   1.3099 1.921059 1.854283 
1 1 1   12   23   14 o   37.485   0.7654  1362.15   55.609  1414.87   81.438  1316.09   76.117   38.163   1.0993   36.808   1.0653 1.355255 1.530813 
1 1 1   12   23   15 o   63.857   0.7276  3961.87   90.162  3975.58  125.954  3947.47  129.122   63.971   1.0143   63.743   1.0435 0.2282829 1.455251 
1 1 1   12   23   16 o   47.526   0.7605  2193.86   70.146  2235.19  100.441  2154.50   98.006   47.962   1.0788   47.089   1.0722 0.8733559 1.520989 
1 1 1   12   23   17 o   71.366   0.7686  4949.85  106.438  4947.34  152.658  4952.23  148.482   71.347   1.1022   71.385   1.0715 -0.3795624E-01 1.537244 
1 1 1   12   23   18 o   34.587   0.9110  1166.09   60.876  1134.89   89.929  1192.49   82.706   34.155   1.3564   35.019   1.2167 -0.8639755 1.822092 
1 1 1   12   23   19 o   44.381   0.8304  1920.30   71.125  1874.02  105.745  1958.53   96.115   43.886   1.2413   44.877   1.1033 -0.9903526 1.660754 
1 1 1   12   23   20 o   29.915   1.0572  868.559   61.194  923.344   91.132  823.574   82.581   30.767   1.5259   29.063   1.4638 1.703938 2.114486 
1 1 1   12   23   21 o   63.139   0.7760  3877.92   94.804  3934.38  140.258  3830.42  128.640   63.554   1.1369   62.724   1.0565 0.8299828 1.552024 
1 1 1   12   23   22 f   79.663   0.8380  6191.64  129.483  6133.00  186.519  6246.19  179.894   79.290   1.2118   80.036   1.1579 -0.7459030 1.676071 
1 1 1   12   23   23 o   13.370   2.3121  188.744   59.426  200.316   86.990  178.619   81.374   13.748   3.3013   12.993   3.2380 0.7546272 4.624187 
1 1 1   12   23   24 o   11.178   2.4868  130.041   60.170  146.729   88.646  115.784   81.935   11.741   3.5713   10.615   3.4616 1.125692 4.973661 
1 1 1   12   23   25 o   36.079   0.9952  1304.50   68.296  1133.73  103.022  1438.38   91.222   33.873   1.5668   38.285   1.2275 -4.412006 1.990367 
1 1 1   12   23   26 o   23.384   1.4451  548.359   65.330  576.345   97.716  525.737   87.851   23.894   2.1067   22.873   1.9786 1.021173 2.890158 
1 1 1   12   23   27 f   10.387   2.7353  109.970   73.456  106.515   98.469  114.305  110.300   10.204   3.7654   10.570   3.9684 -0.3660250 5.470501 
1 1 1   12   24    0 o   71.504   0.7523  4935.75  100.893  4857.34  126.752  5071.33  166.682   70.736   0.9231   72.272   1.1881 -1.536484 1.504562 
1 1 1   12   24    1 o  117.372   0.8930 13376.22  203.466 13421.20  287.698 13331.21  287.791  117.569   1.2606  117.174   1.2653 0.3949966 1.786058 
1 1 1   12   24    2 o  177.092   1.1375 30452.59  390.927 30174.40  545.598 30746.09  560.407  176.262   1.5946  177.922   1.6226 -1.659851 2.274978 
1 1 1   12   24    3 o   32.853   0.7700  1057.32   47.871  1092.78   61.784  1004.06   75.720   33.550   0.9487   32.157   1.2130 1.393368 1.539951 
1 1 1   12   24    4 o  142.431   1.0185 19693.65  281.502 19333.34  392.147 20076.72  404.340  141.089   1.4318  143.774   1.4488 -2.685760 2.036930 
1 1 1   12   24    5 o   92.532   0.7653  8314.03  137.472  8305.21  194.489  8322.83  194.339   92.483   1.0833   92.581   1.0814 -0.9815979E-01 1.530682 
1 1 1   12   24    6 o  107.486   0.8562 11219.18  178.627 11165.67  250.264 11274.76  255.036  107.225   1.2024  107.747   1.2194 -0.5216370 1.712466 
1 1 1   12   24    7 f   63.435   0.6416  3904.56   78.975  3770.74  110.232  4045.69  113.202   62.319   0.9112   64.551   0.9034 -2.232281 1.283150 
1 1 1   12   24    8 o   87.019   0.7477  7352.55  126.297  7263.70  177.432  7443.80  179.814   86.486   1.0569   87.552   1.0580 -1.065567 1.495452 
1 1 1   12   24    9 o  101.701   0.8303 10045.62  163.908 10061.40  232.468 10030.02  231.139  101.781   1.1766  101.622   1.1717 0.1585388 1.660521 
1 1 1   12   24   10 o   50.938   0.6437  2521.71   63.596  2447.24   90.935  2593.00   88.974   50.201   0.9332   51.676   0.8870 -1.474564 1.287437 
1 1 1   12   24   11 o   31.105   0.7710  940.264   46.514  895.812   65.762  984.769   65.801   30.369   1.1155   31.842   1.0646 -1.473242 1.541971 
1 1 1   12   24   12 o   40.949   0.7298  1628.60   58.012  1609.97   81.903  1647.35   82.181   40.714   1.0363   41.184   1.0280 -0.4700851 1.459680 
1 1 1   12   24   13 o   44.464   0.7128  1917.82   61.487  1835.03   85.289  2007.43   88.724   43.466   1.0108   45.462   1.0054 -1.996109 1.425687 
1 1 1   12   24   14 o   36.329   0.7711  1284.51   54.277  1210.14   77.453  1356.28   76.083   35.292   1.1306   37.365   1.0489 -2.072933 1.542222 
1 1 1   12   24   15 o   32.772   0.9079  1044.32   57.656  965.057   80.916  1126.06   82.176   31.507   1.3230   34.037   1.2437 -2.530165 1.815836 
1 1 1   12   24   16 o   37.308   0.8628  1353.72   62.449  1399.68   88.079  1307.26   88.556   37.946   1.1957   36.670   1.2441 1.276493 1.725546 
1 1 1   12   24   17 o   72.367   0.7751  5090.12  108.842  5078.19  156.031  5101.43  151.904   72.283   1.1120   72.451   1.0801 -0.1680374 1.550220 
1 1 1   12   24   18 o   64.650   0.7675  4064.63   96.201  4029.40  139.250  4096.79  133.058   64.379   1.1143   64.921   1.0558 -0.5415573 1.535035 
1 1 1   12   24   19 o  104.072   0.9764 10549.19  197.232 10407.89  279.188 10689.96  278.669  103.374   1.3913  104.771   1.3702 -1.396896 1.952734 
1 1 1   12   24   20 o   30.860   1.0384  930.466   62.086  894.052   89.423  964.356   86.267   30.270   1.5218   31.449   1.4131 -1.179064 2.076730 
1 1 1   12   24   21 o   14.322   2.0760  217.630   55.597  161.036   86.133  258.051   72.792   12.466   3.4448   16.177   2.3181 -3.710360 4.152094 
1 1 1   12   24   22 o   37.628   0.8919  1386.56   64.510  1350.76   97.648  1414.29   85.934   37.180   1.3530   38.077   1.1626 -0.8979111 1.783876 
1 1 1   12   24   23 o   38.508   0.9352  1452.59   69.516  1449.19  103.856  1455.36   93.569   38.449   1.3915   38.568   1.2498 -0.1187172 1.870366 
1 1 1   12   24   24 f   32.610   1.0577  1046.89   66.854  1039.26   97.032  1053.79   92.242   32.483   1.5388   32.736   1.4516 -0.2525024 2.115439 
1 1 1   12   24   25 o   24.171   1.3493  588.915   61.716  554.251   97.114  612.399   79.933   23.486   2.1301   24.855   1.6567 -1.369120 2.698550 
1 1 1   12   24   26 o   15.510   2.2396  261.918   64.730  267.585   97.930  257.521   86.262   15.572   3.3399   15.448   2.9846 0.1234035 4.479184 
1 1 1   12   24   27 o   25.946   1.6107  687.991   80.548  649.777  106.659  738.712  122.880   25.175   2.1825   26.716   2.3694 -1.540766 3.221437 
1 1 1   12   25    0 o  166.033   1.1047 26771.36  355.972 26682.22  498.550 26864.08  508.437  165.752   1.5495  166.314   1.5749 -0.5622101 2.209319 
1 1 1   12   25    1 o  185.180   1.2523 33266.45  443.743 33046.78  579.700 33577.32  689.608  184.455   1.6190  185.904   1.9109 -1.448578 2.504571 
1 1 1   12   25    2 o  228.201   1.3369 50631.95  590.052 50182.72  870.549 51013.70  802.515  227.253   1.9734  229.149   1.8041 -1.895401 2.673813 
1 1 1   12   25    3 o  150.838   1.0366 22096.76  303.498 21933.13  426.591 22264.47  431.879  150.273   1.4624  151.403   1.4695 -1.130280 2.073156 
1 1 1   12   25    4 o   81.431   0.8436  6494.75  128.804  6219.79  209.177  6662.68  163.471   80.025   1.3465   82.837   1.0166 -2.812012 1.687212 
1 1 1   12   25    5 o   21.039   1.1865  453.985   43.559  373.307   77.758  490.881   52.585   19.595   2.0443   22.482   1.2049 -2.887281 2.372921 
1 1 1   12   25    6 o   64.608   0.6430  4047.01   80.585  3888.48  111.479  4220.50  116.623   63.284   0.9075   65.931   0.9112 -2.646336 1.286023 
1 1 1   12   25    7 o  115.585   0.8911 12972.76  199.886 12836.21  278.805 13117.17  286.725  114.960   1.2494  116.210   1.2710 -1.249878 1.782259 
1 1 1   12   25    8 o   67.279   0.6813  4392.71   88.931  4468.64  128.360  4322.62  123.326   67.837   0.9748   66.721   0.9522 1.116859 1.362662 
1 1 1   12   25    9 o  135.738   1.0287 17907.76  270.669 18010.54  373.646 17794.26  392.627  136.152   1.4138  135.323   1.4947 0.8281403 2.057351 
1 1 1   12   25   10 o   24.268   0.9321  571.444   43.744  580.885   64.982  563.620   59.154   24.450   1.3691   24.086   1.2652 0.3641014 1.864192 
1 1 1   12   25   11 o   82.410   0.7559  6595.66  120.906  6644.93  172.324  6547.89  169.681   82.713   1.0733   82.107   1.0646 0.6056976 1.511720 
1 1 1   12   25   12 o   63.248   0.6912  3884.10   84.842  3991.67  120.965  3779.95  119.027   64.109   0.9720   62.386   0.9829 1.723789 1.382333 
1 1 1   12   25   13 o   59.505   0.6886  3438.46   79.527  3410.82  111.119  3467.48  113.868   59.260   0.9660   59.750   0.9817 -0.4894867 1.377288 
1 1 1   12   25   14 o   53.085   0.6945  2731.44   71.479  2853.68  104.369  2623.44   98.097   54.201   0.9920   51.969   0.9724 2.231640 1.389095 
1 1 1   12   25   15 o   62.964   0.7395  3851.77   90.383  3849.83  126.953  3853.76  128.706   62.949   1.0389   62.980   1.0528 -0.3123474E-01 1.479093 
1 1 1   12   25   16 o   81.704   0.8199  6487.61  130.010  6412.57  181.975  6565.85  185.811   81.222   1.1542   82.186   1.1647 -0.9638672 1.639705 
1 1 1   12   25   17 o   56.878   0.7390  3145.14   81.514  3117.84  117.626  3170.35  113.066   56.639   1.0699   57.117   1.0198 -0.4785271 1.478008 
1 1 1   12   25   18 o   61.903   0.7637  3724.49   91.730  3759.24  131.888  3691.92  127.666   62.182   1.0926   61.625   1.0672 0.5568848 1.527355 
1 1 1   12   25   19 o   37.303   0.9421  1355.60   68.018  1351.80  100.005  1358.87   92.785   37.249   1.3830   37.357   1.2795 -0.1073418 1.884127 
1 1 1   12   25   20 o   25.189   1.2412  618.991   60.594  669.983   87.914  572.844   83.633   26.177   1.7301   24.200   1.7803 1.977156 2.482476 
1 1 1   12   25   21 o   24.287   1.2624  577.727   59.210  583.349   88.524  573.176   79.649   24.382   1.8703   24.192   1.6961 0.1901951 2.524832 
1 1 1   12   25   22 f   39.469   0.8842  1527.54   67.222  1469.22  100.433  1574.88   90.478   38.767   1.3346   40.172   1.1603 -1.405033 1.768441 
1 1 1   12   25   23 o   37.643   0.9324  1386.93   67.582  1401.86  102.532  1375.45   89.866   37.800   1.3973   37.486   1.2350 0.3137169 1.864852 
1 1 1   12   25   24 o   24.161   1.3928  581.636   65.032  569.674   96.008  591.778   88.401   23.901   2.0693   24.422   1.8647 -0.5206871 2.785563 
1 1 1   12   25   25 o   39.515   0.9432  1535.83   71.621  1549.98  109.510  1525.24   94.675   39.635   1.4233   39.396   1.2380 0.2393608 1.886414 
1 1 1   12   25   26 f   18.452   1.8192  351.047   64.522  358.089   98.623  345.778   85.312   18.537   2.7407   18.366   2.3929 0.1710377 3.638374 
1 1 1   12   25   27 o   19.510   2.8160  459.339  101.492  389.279  162.928  503.762  129.738   17.465   4.7016   21.555   3.1006 -4.090664 5.631989 
1 1 1   12   26    0 o  126.229   1.0754 15520.70  256.149 15670.93  326.854 15281.58  412.368  127.033   1.3255  125.424   1.6937 1.608704 2.150707 
1 1 1   12   26    1 o   64.171   0.6298  3997.58   78.435  3982.96  109.863  4012.78  112.016   64.052   0.8836   64.291   0.8976 -0.2390594 1.259508 
1 1 1   12   26    2 o  106.332   0.8342 10979.12  172.191 10984.95  243.996 10973.33  243.036  106.360   1.1818  106.304   1.1778 0.5609131E-01 1.668457 
1 1 1   12   26    3 o  179.239   1.1478 31214.01  399.315 31352.40  561.977 31072.88  567.497  179.641   1.6116  178.836   1.6347 0.8051300 2.295526 
1 1 1   12   26    4 f   95.878   0.8027  8926.89  149.398  8927.43  210.506  8926.35  212.065   95.881   1.1310   95.875   1.1395 0.6141663E-02 1.605475 
1 1 1   12   26    5 o   81.445   0.7232  6441.10  114.334  6417.68  161.866  6464.42  161.521   81.297   1.0257   81.593   1.0198 -0.2957230 1.446380 
1 1 1   12   26    6 o   87.102   0.7512  7367.40  127.005  7345.32  180.183  7389.20  179.047   86.972   1.0673   87.231   1.0574 -0.2598114 1.502364 
1 1 1   12   26    7 o   60.042   0.6410  3499.43   74.694  3558.37  106.772  3442.94  104.529   60.537   0.9086   59.547   0.9043 0.9898300 1.281913 
1 1 1   12   26    8 o   34.387   0.7006  1149.34   46.721  1105.07   66.591  1192.27   65.567   33.734   1.0169   35.041   0.9639 -1.306683 1.401176 
1 1 1   12   26    9 o   49.838   0.6412  2412.34   61.997  2397.02   89.004  2426.79   86.408   49.683   0.9229   49.992   0.8904 -0.3083801 1.282381 
1 1 1   12   26   10 o   69.289   0.6863  4661.76   92.298  4717.65  131.596  4607.65  129.489   69.698   0.9727   68.881   0.9684 0.8171997 1.372558 
1 1 1   12   26   11 o   48.184   0.6637  2258.43   61.980  2151.10   88.713  2360.78   86.630   47.063   0.9710   49.306   0.9051 -2.242466 1.327470 
1 1 1   12   26   12 o   86.481   0.8242  7265.91  138.350  7273.84  194.829  7257.85  196.497   86.529   1.1599   86.433   1.1711 0.9594727E-01 1.648334 
1 1 1   12   26   13 o   40.457   0.7778  1590.24   61.074  1600.78   85.787  1579.42   86.967   40.593   1.0887   40.320   1.1111 0.2724953 1.555598 
1 1 1   12   26   14 o   49.156   0.7018  2350.46   66.874  2231.31   95.233  2466.37   93.928   47.924   1.0237   50.388   0.9603 -2.464008 1.403610 
1 1 1   12   26   15 o   96.940   0.9099  9135.69  171.228  9156.04  241.639  9115.17  242.671   97.049   1.2827   96.831   1.2910 0.2178497 1.819882 
1 1 1   12   26   16 o  111.941   1.0206 12189.87  221.776 12302.46  314.881 12079.05  312.411  112.454   1.4425  111.428   1.4443 1.026100 2.041276 
1 1 1   12   26   17 o   52.574   0.7525  2681.13   76.685  2782.91  112.180  2591.84  105.067   53.507   1.0800   51.640   1.0481 1.867264 1.505005 
1 1 1   12   26   18 o   96.926   0.9249  9140.11  173.971  9261.39  249.335  9025.04  242.858   97.550   1.3167   96.301   1.2991 1.249329 1.849726 
1 1 1   12   26   19 o   86.107   0.8660  7219.58  144.735  7182.68  205.815  7255.69  203.576   85.887   1.2345   86.327   1.2148 -0.4397430 1.731975 
1 1 1   12   26   20 o   29.003   1.1373  832.725   62.780  645.981   88.840  1019.01   88.729   25.690   1.7815   32.316   1.4144 -6.625879 2.274694 
1 1 1   12   26   21 o   41.035   0.8609  1643.08   68.389  1631.96  100.301  1652.75   93.491   40.897   1.2634   41.172   1.1698 -0.2750740 1.721789 
1 1 1   12   26   22 o   31.168   1.0679  966.094   63.289  874.738   97.128  1033.50   83.432   29.832   1.6772   32.504   1.3223 -2.671600 2.135804 
1 1 1   12   26   23 o   17.265   1.7334  300.173   56.780  297.370   89.997  302.026   73.184   17.132   2.7062   17.397   2.1671 -0.2651863 3.466897 
1 1 1   12   26   24 o   51.437   0.8274  2592.50   82.333  2585.23  121.451  2598.68  111.997   51.350   1.2184   51.524   1.1198 -0.1735611 1.654831 
1 1 1   12   26   25 o   33.270   1.0783  1080.89   68.929  1198.02  107.100  998.068   90.060   34.761   1.5872   31.779   1.4599 2.981541 2.156527 
1 1 1   12   26   26 f   8.4767   2.4012   48.802   58.439   69.951   95.499   36.142   73.889   9.2255   3.6318   7.7280   3.1422 1.497562 4.802446 
1 1 1   12   27    0 o  134.097   0.9544 17462.00  248.417 17300.80  348.694 17628.15  353.997  133.469   1.3459  134.725   1.3536 -1.256271 1.908809 
1 1 1   12   27    1 o   90.026   0.7628  7867.83  133.291  8003.40  190.173  7736.92  186.875   90.788   1.0791   89.264   1.0785 1.524185 1.525630 
1 1 1   12   27    2 o   96.659   0.9042  9083.91  164.880  9031.25  266.298  9116.65  209.967   96.424   1.4227   96.894   1.1163 -0.4695053 1.808396 
1 1 1   12   27    3 o   40.045   0.6108  1558.54   47.407  1522.48   68.502  1591.67   65.674   39.599   0.8911   40.490   0.8356 -0.8906250 1.221604 
1 1 1   12   27    4 o   33.382   0.6898  1082.77   44.665  1115.03   62.687  1049.51   63.656   33.888   0.9530   32.876   0.9975 1.011284 1.379506 
1 1 1   12   27    5 o  111.465   0.8715 12064.24  188.538 11932.96  263.569 12201.81  269.804  110.844   1.2249  112.085   1.2400 -1.240784 1.743044 
1 1 1   12   27    6 o   55.798   0.6300  3021.59   68.216  2972.04   94.965  3074.42   98.053   55.326   0.8842   56.270   0.8977 -0.9445610 1.260035 
1 1 1   12   27    7 o   86.084   0.8883  7264.12  143.275  6938.48  232.912  7462.35  181.726   84.509   1.4198   87.660   1.0680 -3.151009 1.776611 
1 1 1   12   27    8 o  101.755   0.8371 10056.45  165.299 10031.68  230.717 10082.58  236.943  101.627   1.1695  101.882   1.1981 -0.2556610 1.674252 
1 1 1   12   27    9 f   72.276   0.6922  5072.98   97.101  5080.87  138.569  5065.36  136.108   72.331   0.9869   72.221   0.9709 0.1097794 1.384396 
1 1 1   12   27   10 o  102.837   0.8975 10274.12  179.151 10324.65  255.016 10224.88  251.732  103.086   1.2744  102.588   1.2641 0.4984512 1.794994 
1 1 1   12   27   11 o  122.904   1.0368 14682.08  247.358 14721.20  351.048 14643.51  348.598  123.066   1.4695  122.742   1.4631 0.3243790 2.073630 
1 1 1   12   27   12 o  122.770   0.9897 14649.25  235.866 14748.94  335.301 14551.61  331.855  123.183   1.4022  122.357   1.3972 0.8261642 1.979493 
1 1 1   12   27   13 o   68.553   0.7213  4565.46   95.968  4582.02  134.732  4548.41  136.728   68.680   1.0106   68.426   1.0294 0.2533951 1.442527 
1 1 1   12   27   14 o   30.986   0.8942  937.346   53.524  879.323   78.068  988.813   73.526   30.074   1.3372   31.897   1.1875 -1.823059 1.788383 
1 1 1   12   27   15 o   91.345   0.8803  8111.92  156.090  8167.67  221.566  8057.00  219.933   91.657   1.2453   91.034   1.2446 0.6229706 1.760611 
1 1 1   12   27   16 o   30.685   1.0028  915.073   59.658  932.925   86.899  899.159   82.049   30.966   1.4456   30.404   1.3902 0.5628605 2.005629 
1 1 1   12   27   17 o   22.103   1.2964  479.434   55.039  451.647   82.673  501.554   73.761   21.516   1.9794   22.690   1.6747 -1.174282 2.592822 
1 1 1   12   27   18 o   37.795   0.8995  1391.12   65.960  1350.47   93.746  1430.98   92.823   37.246   1.2966   38.344   1.2471 -1.098354 1.798981 
1 1 1   12   27   19 o   35.497   0.9496  1229.74   65.329  1180.32   93.742  1276.41   91.092   34.797   1.3878   36.196   1.2964 -1.398579 1.899138 
1 1 1   12   27   20 o   32.324   1.0145  1020.38   63.632  1052.42   89.986  988.331   89.993   32.835   1.4118   31.813   1.4573 1.021383 2.028995 
1 1 1   12   27   21 o   29.471   1.1131  854.622   63.308  798.895   92.681  903.368   86.683   28.549   1.6724   30.392   1.4693 -1.843342 2.226138 
1 1 1   12   27   22 o   57.662   0.7995  3249.23   89.352  3212.45  129.530  3282.63  123.418   57.340   1.1637   57.984   1.0965 -0.6444740 1.598907 
1 1 1   12   27   23 o   34.699   0.9775  1180.39   65.410  1200.76   98.656  1164.41   87.374   34.944   1.4544   34.454   1.3064 0.4897881 1.955014 
1 1 1   12   27   24 o   20.108   1.6013  402.205   61.668  504.461   92.334  319.860   82.858   22.433   2.1204   17.783   2.4002 4.649361 3.202680 
1 1 1   12   27   25 o   27.699   1.2407  761.926   66.223  791.276  100.654  739.524   87.936   28.129   1.8433   27.269   1.6612 0.8599224 2.481442 
1 1 1   12   27   26 o   9.8966   2.4114  102.365   60.378   34.052   96.750  145.941   77.271   8.3739   3.5170   11.419   3.3000 -3.045420 4.822832 
1 1 1   12   28    0 o  103.100   0.8129 10313.52  162.582 10084.30  225.149 10563.29  235.020  101.905   1.1382  104.296   1.1608 -2.391014 1.625730 
1 1 1   12   28    1 o   29.707   0.6846  858.503   39.405  814.914   56.461  899.895   55.020   28.970   1.0040   30.444   0.9310 -1.473953 1.369230 
1 1 1   12   28    2 o   66.034   0.6446  4230.46   82.582  4331.38  119.170  4137.22  114.546   66.791   0.9191   65.277   0.9040 1.513771 1.289177 
1 1 1   12   28    3 o   73.675   0.6745  5268.23   96.444  5153.12  134.756  5389.10  138.090   72.851   0.9529   74.500   0.9549 -1.649330 1.349000 
1 1 1   12   28    4 o  113.434   0.8926 12498.55  196.516 12707.18  277.918 12289.93  277.913  114.382   1.2517  112.487   1.2727 1.894875 1.785106 
1 1 1   12   28    5 o  119.477   0.9260 13864.73  214.733 13787.95  300.400 13944.95  307.067  119.140   1.2989  119.815   1.3203 -0.6748199 1.852089 
1 1 1   12   28    6 o   45.650   0.7339  2030.98   62.682  2051.55   78.978  1995.98  103.036   45.966   0.8851   45.333   1.1709 0.6333923 1.467774 
1 1 1   12   28    7 o   99.624   0.8213  9638.69  158.806  9562.57  222.764  9717.34  226.452   99.225   1.1565  100.024   1.1663 -0.7991486 1.642503 
1 1 1   12   28    8 o   32.108   0.9219  1007.05   54.778  983.554   92.143  1019.90   68.123   31.812   1.4921   32.405   1.0830 -0.5925827 1.843710 
1 1 1   12   28    9 o   63.184   0.6690  3875.85   82.024  3919.69  117.754  3834.52  114.321   63.531   0.9548   62.838   0.9372 0.6933746 1.337930 
1 1 1   12   28   10 o  111.350   0.9149 12034.39  197.642 11649.35  274.044 12451.74  285.312  109.496   1.2893  113.204   1.2984 -3.707314 1.829764 
1 1 1   12   28   11 o   27.324   1.0818  736.245   52.999  698.228   94.106  753.904   64.138   26.791   1.8095   27.856   1.1861 -1.065895 2.163636 
1 1 1   12   28   12 o   44.226   0.7255  1904.55   62.133  2015.34   86.767  1787.94   89.015   45.551   0.9813   42.901   1.0689 2.649654 1.451009 
1 1 1   12   28   13 o   51.040   0.7129  2529.31   70.609  2614.25  101.186  2448.69   98.577   51.875   1.0048   50.205   1.0115 1.669838 1.425776 
1 1 1   12   28   14 o   53.062   0.7212  2735.35   74.208  2736.48  107.409  2734.32  102.645   53.071   1.0426   53.052   0.9967 0.1869202E-01 1.442370 
1 1 1   12   28   15 o   39.984   0.8335  1553.44   64.681  1518.44   90.327  1590.28   92.663   39.522   1.1774   40.446   1.1802 -0.9240341 1.667069 
1 1 1   12   28   16 f   49.727   0.7510  2402.77   72.392  2237.30  101.317  2575.35  103.474   47.977   1.0879   51.478   1.0355 -3.500599 1.501911 
1 1 1   12   28   17 o   40.343   0.8022  1586.40   62.649  1517.91   90.782  1648.68   86.566   39.506   1.1838   41.180   1.0829 -1.673466 1.604385 
1 1 1   12   28   18 o   42.443   0.8341  1756.62   68.578  1646.11   97.774  1863.63   96.213   41.122   1.2249   43.764   1.1326 -2.642052 1.668222 
1 1 1   12   28   19 o   16.662   1.9244  282.829   59.600  224.511   85.436  338.111   83.182   14.779   3.0780   18.545   2.3107 -3.765695 3.848831 
1 1 1   12   28   20 o   44.429   0.8257  1923.84   71.185  1919.68   99.213  1928.26  102.196   44.382   1.1516   44.476   1.1837 -0.9398270E-01 1.651447 
1 1 1   12   28   21 o   53.963   0.8014  2843.75   83.797  2777.90  121.406  2903.67  115.806   53.356   1.1722   54.570   1.0932 -1.213318 1.602847 
1 1 1   12   28   22 o   15.523   2.0426  246.096   59.633  321.623   88.545  183.402   80.672   17.899   2.5485   13.148   3.1928 4.750854 4.085138 
1 1 1   12   28   23 o   39.817   0.8981  1549.10   68.636  1588.45  105.814  1520.52   90.182   40.224   1.3552   39.409   1.1788 0.8150177 1.796141 
1 1 1   12   28   24 o   7.9135   2.3005   6.6255   57.823   84.873   94.421 -40.3295   73.143   9.7577   3.6700   6.0693   2.7748 3.688461 4.600926 
1 1 1   12   28   25 o   21.611   1.5780  473.202   65.818  485.313   98.975  463.600   88.128   21.812   2.3376   21.411   2.1204 0.4013100 3.156030 
1 1 1   12   28   26 f   32.824   1.1234  1068.00   71.104  1148.45  108.297  1007.04   94.270   33.867   1.6473   31.782   1.5280 2.085407 2.246879 
1 1 1   12   29    0 o   75.432   0.6799  5524.36   99.555  5488.98  139.801  5560.76  141.805   75.187   0.9579   75.677   0.9653 -0.4897308 1.359888 
1 1 1   12   29    1 o   16.841   1.1075  275.825   36.123  271.131   52.642  280.003   49.660   16.704   1.6234   16.977   1.5069 -0.2724075 2.215018 
1 1 1   12   29    2 o   69.577   0.6582  4700.09   88.897  4666.35  125.214  4734.38  126.231   69.325   0.9305   69.828   0.9313 -0.5034637 1.316432 
1 1 1   12   29    3 o   90.489   0.7723  7951.40  135.657  7918.17  190.758  7985.38  192.956   90.298   1.0883   90.680   1.0962 -0.3820648 1.544654 
1 1 1   12   29    4 o  133.381   0.9807 17282.93  253.856 17272.47  355.297 17293.85  362.836  133.341   1.3727  133.421   1.4009 -0.7997131E-01 1.961339 
1 1 1   12   29    5 o  179.203   1.1712 31213.64  407.392 31446.57  573.549 30976.45  578.766  179.880   1.6426  178.526   1.6701 1.353622 2.342474 
1 1 1   12   29    6 o  103.732   0.8479 10451.61  170.732 10504.31  241.325 10398.81  241.578  103.994   1.1954  103.470   1.2028 0.5239792 1.695790 
1 1 1   12   29    7 o   70.185   0.6823  4783.93   92.957  4748.12  131.858  4819.31  131.067   69.924   0.9714   70.446   0.9584 -0.5227661 1.364671 
1 1 1   12   29    8 o  175.426   1.2066 29916.49  410.209 30022.23  597.822 29822.40  563.909  175.710   1.7527  175.142   1.6587 0.5686188 2.413113 
1 1 1   12   29    9 o  107.588   0.8952 11242.73  186.922 11083.71  261.234 11409.57  267.574  106.809   1.2600  108.366   1.2720 -1.557655 1.790386 
1 1 1   12   29   10 o  129.262   1.0167 16239.56  255.112 16180.97  359.105 16299.26  362.484  129.027   1.4338  129.497   1.4420 -0.4697113 2.033469 
1 1 1   12   29   11 o   80.043   0.7532  6222.58  117.023  6310.37  166.759  6137.40  164.261   80.599   1.0658   79.486   1.0646 1.112213 1.506439 
1 1 1   12   29   12 o  118.037   0.9664 13536.66  221.373 13886.02  317.377 13205.64  308.932  119.519   1.3680  116.555   1.3654 2.964523 1.932795 
1 1 1   12   29   13 o   36.525   0.8315  1296.39   58.948  1268.68   82.947  1324.66   83.790   36.131   1.1827   36.920   1.1692 -0.7890892 1.663014 
1 1 1   12   29   14 o   89.707   0.8579  7819.75  149.351  7970.83  213.989  7676.26  208.546   90.551   1.2174   88.863   1.2090 1.688057 1.715703 
1 1 1   12   29   15 o   47.444   0.7629  2187.01   70.241  2116.80   98.523  2259.59  100.167   46.670   1.0875   48.219   1.0701 -1.549389 1.525748 
1 1 1   12   29   16 o   56.672   0.7452  3120.09   81.915  3160.10  118.568  3083.55  113.300   57.018   1.0712   56.326   1.0362 0.6921539 1.490421 
1 1 1   12   29   17 o   38.073   1.0208  1393.69   71.005  1464.58  124.843  1359.79   86.328   38.759   1.6593   37.387   1.1895 1.371998 2.041622 
1 1 1   12   29   18 o   22.330   1.3777  489.260   59.511  530.928   83.647  446.552   84.685   23.304   1.8491   21.355   2.0429 1.948793 2.755416 
1 1 1   12   29   19 o   28.398   1.1168  788.536   61.459  844.471   87.157  733.214   86.678   29.406   1.5269   27.389   1.6303 2.017256 2.233648 
1 1 1   12   29   20 o   26.232   1.1833  674.777   60.153  718.070   84.965  631.272   85.173   27.084   1.6160   25.379   1.7288 1.705166 2.366542 
1 1 1   12   29   21 o   23.704   1.3336  556.557   61.046  513.255   88.496  595.869   84.319   22.798   1.9997   24.611   1.7650 -1.812992 2.667181 
1 1 1   12   29   22 o   23.103   1.3600  532.420   60.389  501.326   90.357  557.521   81.184   22.451   2.0733   23.756   1.7605 -1.305136 2.719958 
1 1 1   12   29   23 o   41.479   0.8712  1681.14   69.943  1752.70  103.737  1621.49   94.706   42.275   1.2641   40.683   1.1992 1.592232 1.742458 
1 1 1   12   29   24 o   13.881   2.2952  210.513   60.115  207.023   93.434  212.979   78.528   13.676   3.5037   14.085   2.9658 -0.4090891 4.590413 
1 1 1   12   29   25 o   41.775   0.9195  1730.66   74.068  1628.99  109.214  1817.25  100.790   40.586   1.3862   42.963   1.2085 -2.376740 1.839057 
1 1 1   12   29   26 o   37.370   1.0350  1397.17   74.278  1341.61  112.223  1440.49   99.088   36.629   1.5783   38.111   1.3394 -1.482811 2.070028 
1 1 1   12   30    0 o  151.393   1.0642 22271.40  312.683 22586.85  440.478 21950.96  443.944  152.475   1.4882  150.310   1.5215 2.164932 2.128311 
1 1 1   12   30    1 o  118.639   0.8995 13669.80  207.105 13609.10  289.491 13733.44  296.415  118.370   1.2599  118.908   1.2842 -0.5378723 1.798994 
1 1 1   12   30    2 o  135.834   1.0042 17926.49  264.757 18053.15  372.850 17797.67  376.016  136.319   1.4090  135.349   1.4311 0.9700317 2.008352 
1 1 1   12   30    3 o   25.135   0.8296  613.306   40.466  593.188   56.596  634.346   57.880   24.713   1.1798   25.557   1.1667 -0.8431911 1.659222 
1 1 1   12   30    4 o  110.333   0.8683 11813.72  185.891 12264.49  267.305 11391.55  258.685  112.369   1.2254  108.296   1.2305 4.073166 1.736643 
1 1 1   12   30    5 o  147.144   1.0453 21031.08  298.489 20780.59  416.076 21296.69  428.450  146.243   1.4657  148.045   1.4909 -1.802094 2.090662 
1 1 1   12   30    6 o   27.668   0.8222  747.778   43.825  849.528   61.772  644.663   62.185   29.575   1.0760   25.761   1.2436 3.814548 1.644426 
1 1 1   12   30    7 o   32.681   0.7105  1037.51   45.049  1078.76   63.857  996.633   63.562   33.329   0.9870   32.034   1.0222 1.294434 1.420923 
1 1 1   12   30    8 o   56.465   0.6663  3091.25   72.967  3259.33  105.531  2937.29  101.001   57.933   0.9384   54.996   0.9461 2.936676 1.332536 
1 1 1   12   30    9 o  139.623   1.1507 18954.41  311.880 18984.75  440.157 18923.82  441.979  139.736   1.6227  139.510   1.6320 0.2258301 2.301456 
1 1 1   12   30   10 o   43.021   0.7123  1798.16   59.366  1789.91   86.640  1805.47   81.508   42.927   1.0397   43.115   0.9739 -0.1882401 1.424602 
1 1 1   12   30   11 o  105.122   0.9568 10740.07  195.244 10625.85  274.719 10856.64  277.538  104.558   1.3535  105.687   1.3528 -1.129456 1.913667 
1 1 1   12   30   12 o  108.993   0.9912 11539.24  209.589 11224.42  290.376 11881.62  302.822  107.444   1.3922  110.542   1.4112 -3.098099 1.982389 
1 1 1   12   30   13 o   43.670   0.7475  1854.24   63.204  1872.25   86.609  1833.73   92.445   43.899   1.0164   43.442   1.0962 0.4572906 1.494902 
1 1 1   12   30   14 o   46.185   0.7435  2074.94   66.553  2033.07   96.313  2113.19   92.070   45.737   1.0848   46.633   1.0171 -0.8962440 1.487028 
1 1 1   12   30   15 o   27.142   1.1163  716.926   58.794  691.271   82.463  743.451   83.849   26.647   1.5942   27.636   1.5630 -0.9890480 2.232550 
1 1 1   12   30   16 o   34.649   0.9062  1170.81   60.783  1114.94   87.884  1222.04   84.156   33.851   1.3374   35.447   1.2230 -1.595692 1.812334 
1 1 1   12   30   17 o   51.474   0.9108  2575.23   85.081  2591.67  150.003  2567.43  103.305   51.567   1.4985   51.381   1.0357 0.1863670 1.821617 
1 1 1   12   30   18 o   53.267   0.7593  2758.53   78.459  2691.22  108.592  2832.06  113.484   52.589   1.0637   53.945   1.0837 -1.355907 1.518549 
1 1 1   12   30   19 o   16.784   1.7237  278.699   56.005  287.861   77.247  268.547   81.317   17.088   2.3288   16.480   2.5419 0.6075897 3.447361 
1 1 1   12   30   20 o   10.154   2.4262   98.409   56.854   92.019   80.286  104.838   80.523   9.9324   3.4284   10.375   3.4340 -0.4427538 4.852484 
1 1 1   12   30   21 o   20.516   1.5265  424.285   59.733  347.605   86.584  493.926   82.514   18.669   2.3893   22.364   1.9007 -3.695557 3.053066 
1 1 1   12   30   22 o   36.098   0.9497  1276.62   66.375  1308.64   97.964  1249.44   90.248   36.504   1.3825   35.692   1.3026 0.8118591 1.899438 
1 1 1   12   30   23 o   26.335   1.2590  692.182   63.717  655.837   95.587  721.246   85.478   25.663   1.9188   27.008   1.6304 -1.344585 2.517942 
1 1 1   12   30   24 o   43.225   0.8889  1844.79   73.378  1800.70  113.726  1876.23   96.043   42.726   1.3712   43.725   1.1316 -0.9989052 1.777821 
1 1 1   12   30   25 o   26.104   1.3121  685.362   65.348  683.291  102.049  686.801   85.080   25.985   2.0231   26.222   1.6714 -0.2373428 2.624249 
1 1 1   12   31    0 o   54.100   0.5927  2841.57   62.238  2835.85   87.437  2847.44   88.612   54.045   0.8334   54.155   0.8429 -0.1101227 1.185394 
1 1 1   12   31    1 o  120.879   0.9341 14194.92  219.180 14365.72  309.629 14023.38  310.308  121.609   1.3116  120.149   1.3305 1.459190 1.868297 
1 1 1   12   31    2 o  101.176   0.8263  9942.17  162.289  9945.24  229.847  9939.12  229.177  101.191   1.1701  101.161   1.1671 0.3096771E-01 1.652637 
1 1 1   12   31    3 o  174.495   1.1465 29593.60  388.316 29925.27  547.830 29258.68  550.504  175.479   1.6083  173.510   1.6344 1.969025 2.293008 
1 1 1   12   31    4 o  131.872   0.9703 16890.06  248.316 16685.57  346.439 17106.11  356.104  131.052   1.3618  132.692   1.3825 -1.639267 1.940582 
1 1 1   12   31    5 o  112.456   0.8995 12283.63  196.277 12206.10  273.564 12365.89  281.774  112.091   1.2572  112.820   1.2866 -0.7288208 1.798903 
1 1 1   12   31    6 o   63.066   0.6575  3861.52   80.482  3805.33  112.754  3919.87  114.914   62.599   0.9279   63.534   0.9318 -0.9349518 1.314978 
1 1 1   12   31    7 o   38.661   0.6872  1451.71   51.524  1448.48   74.505  1454.66   71.331   38.619   0.9938   38.703   0.9495 -0.8331680E-01 1.374472 
1 1 1   12   31    8 o   42.466   0.6705  1752.52   55.208  1776.69   76.502  1726.26   79.751   42.773   0.9214   42.160   0.9745 0.6128616 1.341096 
1 1 1   12   31    9 f   64.637   0.6916  4057.63   86.772  4105.62  123.142  4010.30  122.292   65.017   0.9757   64.258   0.9804 0.7593765 1.383176 
1 1 1   12   31   10 o   76.973   0.7445  5755.46  111.242  5767.23  157.103  5743.63  157.539   77.052   1.0503   76.894   1.0554 0.1581497 1.489010 
1 1 1   12   31   11 o   71.995   0.7305  5034.32  102.050  5070.77  146.467  4999.94  142.265   72.247   1.0444   71.742   1.0216 0.5049438 1.460918 
1 1 1   12   31   12 f   37.096   0.8239  1338.09   59.148  1474.23   84.452  1207.02   82.866   38.950   1.1170   35.241   1.2113 3.709850 1.647706 
1 1 1   12   31   13 o   95.725   0.8613  8907.40  160.038  8871.03  225.557  8944.26  227.107   95.528   1.2163   95.921   1.2197 -0.3930588 1.722545 
1 1 1   12   31   14 o   49.421   0.7433  2373.20   71.297  2388.68  101.969  2358.39   99.727   49.578   1.0595   49.264   1.0429 0.3143463 1.486656 
1 1 1   12   31   15 f   13.811   2.0922  189.865   56.190  273.944   82.501  117.119   76.740   16.732   2.5401   10.890   3.3251 5.842246 4.184310 
1 1 1   12   31   16 o   46.772   0.7769  2127.41   70.524  2116.84  100.524  2137.65   98.967   46.657   1.1099   46.887   1.0874 -0.2305222 1.553788 
1 1 1   12   31   17 o   10.343   2.3407  100.648   55.766   52.404   80.315  145.556   77.489   8.7616   3.3635   11.924   3.2560 -3.162693 4.681344 
1 1 1   12   31   18 o   57.550   0.7666  3223.91   85.617  3317.14  121.560  3132.14  120.608   58.377   1.0727   56.723   1.0954 1.654621 1.533134 
1 1 1   12   31   19 o   14.602   2.0529  218.444   56.876  163.443   79.939  274.829   80.939   12.540   3.2554   16.665   2.5019 -4.125721 4.105780 
1 1 1   12   31   20 o   43.352   0.8245  1832.62   69.362  1875.70   99.759  1792.30   96.508   43.844   1.1721   42.860   1.1600 0.9834137 1.649068 
1 1 1   12   31   21 o   34.622   0.9421  1174.01   63.256  1179.25   91.506  1169.22   87.540   34.689   1.3589   34.554   1.3051 0.1350632 1.884122 
1 1 1   12   31   22 o   44.243   0.8420  1914.01   72.244  1972.88  105.088  1861.26   99.479   44.882   1.2062   43.604   1.1753 1.278145 1.684099 
1 1 1   12   31   23 o   27.888   1.1980  766.787   64.616  824.739   96.584  719.835   86.936   28.825   1.7261   26.952   1.6617 1.873671 2.395971 
1 1 1   12   31   24 o   10.995   2.4127  130.507   61.313   61.036   91.535  187.042   82.574   8.9685   3.5476   13.022   3.2710 -4.053505 4.825461 
1 1 1   12   31   25 o   22.565   1.4513  514.002   61.919  532.848  100.137  502.336   78.786   22.788   2.2637   22.342   1.8166 0.4458275 2.902503 
1 1 1   12   32    0 o   41.884   0.6077  1703.48   49.398  1711.42   69.248  1695.25   70.487   41.984   0.8497   41.785   0.8690 0.1991348 1.215379 
1 1 1   12   32    1 o  140.984   1.0407 19318.09  284.590 19161.81  409.776 19463.70  395.542  140.430   1.5032  141.538   1.4396 -1.108353 2.081397 
1 1 1   12   32    2 o   68.647   0.8339  4650.60  105.805  4328.25  176.091  4832.73  132.363   66.748   1.3591   70.547   0.9665 -3.798874 1.667703 
1 1 1   12   32    3 o   59.875   0.6333  3479.99   73.575  3445.92  102.371  3516.39  105.817   59.572   0.8853   60.178   0.9059 -0.6055260 1.266587 
1 1 1   12   32    4 o   74.594   0.6949  5403.31  100.567  5393.91  139.950  5413.36  144.611   74.527   0.9674   74.660   0.9978 -0.1329422 1.389758 
1 1 1   12   32    5 o   36.799   0.7020  1314.88   50.139  1300.91   70.265  1329.36   71.567   36.600   0.9890   36.998   0.9965 -0.3977966 1.403969 
1 1 1   12   32    6 o   44.371   0.6473  1911.87   55.757  1907.53   78.899  1916.19   78.806   44.321   0.9171   44.421   0.9139 -0.1005745 1.294695 
1 1 1   12   32    7 o   22.069   1.0134  475.154   43.027  554.841   61.403  398.278   60.310   23.896   1.3237   20.242   1.5349 3.654146 2.026857 
1 1 1   12   32    8 o   57.740   0.6656  3235.27   74.567  3162.33  103.467  3314.09  107.559   57.063   0.9341   58.416   0.9485 -1.352634 1.331243 
1 1 1   12   32    9 o   24.998   0.9777  607.215   47.435  614.700   67.813  600.044   66.376   25.148   1.3891   24.847   1.3762 0.3012829 1.955379 
1 1 1   12   32   10 o   33.898   0.8295  1117.63   54.522  1166.89   76.664  1067.22   77.555   34.655   1.1396   33.140   1.2056 1.515053 1.658937 
1 1 1   12   32   11 o   97.846   0.8815  9305.78  167.421  9225.66  236.747  9385.92  236.791   97.424   1.2519   98.268   1.2413 -0.8436966 1.762969 
1 1 1   12   32   12 o  114.110   0.9964 12661.14  220.702 12788.30  313.386 12536.01  310.867  114.679   1.4078  113.542   1.4104 1.137215 1.992774 
1 1 1   12   32   13 o   48.952   0.7595  2331.65   72.084  2427.74  101.024  2231.98  102.886   49.982   1.0412   47.921   1.1060 2.061279 1.519018 
1 1 1   12   32   14 f  102.131   0.9518 10145.51  188.689 10130.60  267.380 10160.30  266.316  102.055   1.3497  102.206   1.3423 -0.1507111 1.903535 
1 1 1   12   32   15 o   33.506   0.9656  1091.19   62.647  987.434   87.065  1202.59   90.211   31.853   1.4081   35.158   1.3218 -3.305035 1.931270 
1 1 1   12   32   16 f   27.249   1.0581  721.139   55.834  756.807   82.483  690.974   75.854   27.867   1.5248   26.631   1.4673 1.235579 2.116150 
1 1 1   12   32   17 o   71.477   0.7834  4971.58  108.690  5019.21  154.660  4925.10  152.778   71.815   1.1094   71.139   1.1063 0.6759491 1.566785 
1 1 1   12   32   18 o   41.374   0.8331  1667.62   66.903  1639.78   94.181  1695.97   95.057   41.024   1.1826   41.723   1.1737 -0.6982193 1.666180 
1 1 1   12   32   19 o   35.942   0.8939  1260.23   62.361  1245.71   87.282  1275.37   89.129   35.731   1.2584   36.153   1.2700 -0.4211349 1.787879 
1 1 1   12   32   20 o   31.634   1.0012  979.950   61.415  978.383   88.873  981.381   84.967   31.603   1.4487   31.665   1.3823 -0.6142044E-01 2.002383 
1 1 1   12   32   21 o   28.149   1.1162  782.788   60.722  744.365   88.740  816.619   83.268   27.475   1.6639   28.823   1.4883 -1.347895 2.232349 
1 1 1   12   32   22 o   16.786   1.8075  283.240   58.706  313.596   87.022  257.885   79.529   17.609   2.5458   15.964   2.5665 1.645852 3.614918 
1 1 1   12   32   23 o   22.311   1.4654  506.790   62.448  447.653   93.287  554.807   84.060   21.035   2.2847   23.588   1.8359 -2.553219 2.930889 
1 1 1   12   32   24 o   14.065   2.3162  213.398   62.273  280.206   95.081  163.213   82.408   16.018   3.1702   12.112   3.3778 3.906139 4.632398 
1 1 1   12   32   25 o   14.450   2.3410  225.632   63.118  294.739  102.991  184.064   79.877   16.130   3.3967   12.769   3.2224 3.360391 4.681996 
1 1 1   12   33    0 o  197.509   1.4571 37899.41  533.110 37791.13  661.114 38100.71  901.441  197.171   1.7273  197.847   2.3472 -0.6767426 2.914230 
1 1 1   12   33    1 o   52.812   0.6169  2707.96   63.231  2776.71   89.849  2640.50   89.002   53.476   0.8655   52.148   0.8792 1.328476 1.233774 
1 1 1   12   33    2 o   46.182   0.7513  2038.81   63.637  2169.74  111.352  1975.30   77.549   47.261   1.2138   45.103   0.8857 2.158352 1.502576 
1 1 1   12   33    3 o  141.898   1.0650 19566.88  293.118 19640.99  423.232 19498.57  406.348  142.153   1.5338  141.644   1.4779 0.5091248 2.129905 
1 1 1   12   33    4 o  147.311   1.1254 21099.69  320.451 21042.32  475.360 21147.48  433.852  147.117   1.6645  147.505   1.5152 -0.3885040 2.250891 
1 1 1   12   33    5 o   20.363   1.0932  403.947   43.085  438.578   60.819  369.059   61.044   21.243   1.4749   19.484   1.6140 1.758785 2.186369 
1 1 1   12   33    6 o   55.190   0.6384  2954.73   68.351  2855.38   94.793  3062.32   98.649   54.225   0.9006   56.156   0.9050 -1.930416 1.276704 
1 1 1   12   33    7 o   55.961   0.6734  3038.84   73.118  3167.41  105.048  2918.01  101.835   57.109   0.9476   54.814   0.9571 2.294811 1.346810 
1 1 1   12   33    8 o   40.711   0.7139  1612.11   56.334  1688.31   78.985  1533.22   80.369   41.693   0.9759   39.730   1.0421 1.962940 1.427736 
1 1 1   12   33    9 o   91.680   0.8149  8166.34  145.025  8157.77  204.636  8174.98  205.559   91.631   1.1505   91.728   1.1544 -0.9632111E-01 1.629812 
1 1 1   12   33   10 o   22.298   1.1520  484.256   49.606  422.203   69.320  549.385   71.017   20.829   1.7144   23.766   1.5393 -2.937059 2.304095 
1 1 1   12   33   11 o   67.033   0.7165  4362.53   93.203  4237.88  129.881  4494.88  133.826   66.047   1.0130   68.020   1.0135 -1.973099 1.433011 
1 1 1   12   33   12 o   74.759   0.7534  5430.58  109.326  5383.21  153.480  5479.38  155.767   74.428   1.0623   75.090   1.0686 -0.6613388 1.506813 
1 1 1   12   33   13 o   90.632   0.8611  7982.23  151.457  8177.10  216.851  7796.63  211.630   91.711   1.2181   89.552   1.2174 2.158920 1.722142 
1 1 1   12   33   14 f   47.173   0.7618  2161.30   69.719  2213.84  100.618  2112.77   96.694   47.724   1.0861   46.623   1.0684 1.100975 1.523531 
1 1 1   12   33   15 o  128.831   1.1566 16172.23  289.216 16390.84  411.963 15959.77  406.127  129.689   1.6364  127.973   1.6349 1.716240 2.313126 
1 1 1   12   33   16 o   39.308   0.8161  1508.74   62.003  1438.69   90.733  1570.11   84.925   38.444   1.2158   40.173   1.0890 -1.729229 1.632249 
1 1 1   12   33   17 o   60.951   0.7578  3610.72   89.594  3771.94  129.534  3462.85  124.053   62.254   1.0719   59.649   1.0714 2.605164 1.515515 
1 1 1   12   33   18 o   11.764   2.2881  141.234   56.010  194.566   79.501   88.676   78.922   13.709   3.0645   9.8183   3.3986 3.890358 4.576207 
1 1 1   12   33   19 o   8.5198   2.2706   42.747   54.876 -11.7274   77.267   98.190   77.950   6.9474   3.0330   10.092   3.3799 -3.144832 4.541300 
1 1 1   12   33   20 o   40.777   0.8506  1626.01   67.153  1616.51   98.421  1634.28   91.855   40.655   1.2471   40.899   1.1570 -0.2446632 1.701150 
1 1 1   12   33   21 o   16.454   1.7715  273.880   56.249  263.572   83.188  282.563   76.348   16.130   2.6568   16.779   2.3440 -0.6491089 3.543055 
1 1 1   12   33   22 o   20.641   1.4652  424.484   58.455  442.375   87.473  410.048   78.575   21.011   2.1446   20.272   1.9968 0.7399044 2.930306 
1 1 1   12   33   23 o   43.864   0.8631  1895.71   73.306  1806.37  105.761  1978.33  101.699   42.843   1.2717   44.885   1.1672 -2.041550 1.726146 
1 1 1   12   33   24 o   32.087   1.0906  1013.73   67.602  1142.58  101.548  911.193   90.593   33.900   1.5432   30.274   1.5416 3.625736 2.181237 
1 1 1   12   33   25 o   13.017   2.4190  203.995   65.879  114.870  101.546  268.772   86.570   10.401   3.8261   15.634   2.9609 -5.233408 4.837968 
1 1 1   12   34    0 o  110.825   1.1155 11924.69  226.882 11896.18  278.513 11980.94  391.176  110.655   1.2966  110.995   1.8155 -0.3403244 2.231003 
1 1 1   12   34    1 o   51.182   0.8357  2544.89   72.589  2545.09   84.232  2544.28  143.088   51.196   0.8476   51.167   1.4406 0.2916336E-01 1.671439 
1 1 1   12   34    2 o   97.482   0.8157  9227.50  154.311  9351.58  221.541  9110.56  215.061   98.117   1.1632   96.846   1.1440 1.271378 1.631447 
1 1 1   12   34    3 o   55.180   0.6453  2953.06   69.066  2864.16   95.412  3050.94  100.105   54.309   0.9050   56.051   0.9200 -1.742405 1.290568 
1 1 1   12   34    4 o   9.8729   1.8972   94.701   40.753   36.880   57.702  152.244   57.564   7.4663   2.8546   12.279   2.4999 -4.813173 3.794495 
1 1 1   12   34    5 o   75.776   0.7128  5576.74  104.845  5637.58  148.565  5516.39  147.984   76.188   1.0045   75.364   1.0115 0.8237000 1.425588 
1 1 1   12   34    6 o   10.080   2.0522  101.212   42.454   90.861   59.978  111.606   60.101   9.6355   2.9391   10.525   2.8649 -0.8892355 4.104396 
1 1 1   12   34    7 o   89.116   0.8018  7715.04  138.698  7846.69  196.685  7584.82  195.617   89.873   1.1274   88.359   1.1405 1.513359 1.603664 
1 1 1   12   34    8 o   23.754   1.0643  547.811   48.968  498.207   67.927  601.479   70.655   22.635   1.5459   24.873   1.4633 -2.237978 2.128659 
1 1 1   12   34    9 o   14.138   1.8237  197.994   48.837  226.980   70.891  171.812   67.375   15.255   2.3939   13.020   2.7518 2.234900 3.647375 
1 1 1   12   34   10 o   47.377   0.7224  2181.81   66.394  2255.18   93.569  2107.41   94.226   48.180   1.0005   46.573   1.0422 1.607056 1.444701 
1 1 1   12   34   11 o   87.173   0.8409  7385.46  142.285  7331.02  200.206  7441.03  202.253   86.849   1.1875   87.497   1.1908 -0.6489029 1.681735 
1 1 1   12   34   12 o   65.052   0.7347  4111.73   92.748  4133.93  133.119  4090.78  129.296   65.222   1.0514   64.883   1.0266 0.3394241 1.469482 
1 1 1   12   34   13 f   51.596   0.7576  2583.51   75.806  2429.49  105.134  2750.31  109.406   49.996   1.0833   53.196   1.0595 -3.200367 1.515260 
1 1 1   12   34   14 o   30.287   1.0080  894.673   58.593  879.921   89.473  905.750   77.530   30.062   1.5333   30.513   1.3090 -0.4511909 2.015994 
1 1 1   12   34   15 o   44.972   1.0031  1957.95   82.379  1935.09  100.404  2005.05  144.096   44.599   1.1598   45.345   1.6370 -0.7462311 2.006215 
1 1 1   12   34   16 o   40.394   0.8219  1582.37   64.328  1697.26   94.462  1483.02   87.846   41.756   1.1654   39.032   1.1594 2.723732 1.643872 
1 1 1   12   34   17 o   29.364   1.0072  841.727   57.368  850.873   79.839  831.964   82.487   29.532   1.3927   29.195   1.4555 0.3369122 2.014444 
1 1 1   12   34   18 o   9.6339   2.2481   73.204   55.510  -5.4572   78.348  152.494   78.660   7.1476   3.0876   12.120   3.2685 -4.972707 4.496276 
1 1 1   12   34   19 o   60.168   0.7658  3529.59   89.405  3563.88  128.641  3497.55  124.343   60.447   1.0963   59.889   1.0696 0.5579872 1.531640 
1 1 1   12   34   20 f   9.0108   2.3495   68.616   55.067   42.393   82.592   89.602   73.885   8.3986   3.3547   9.6230   3.2903 -1.224370 4.698953 
1 1 1   12   34   21 o   16.754   1.8077  282.454   56.038  378.332   84.770  208.034   74.684   19.439   2.2465   14.069   2.8326 5.370116 3.615322 
1 1 1   12   34   22 o   25.786   1.2086  664.409   59.757  625.584   90.256  694.712   79.736   25.060   1.8554   26.512   1.5494 -1.451399 2.417213 
1 1 1   12   34   23 o   22.903   1.4005  518.031   61.508  646.403   93.460  419.948   81.693   25.396   1.8958   20.410   2.0619 4.985121 2.801012 
1 1 1   12   34   24 o   17.404   1.9658  324.579   63.974  303.970   96.217  340.910   85.648   16.648   3.0911   18.160   2.4296 -1.511974 3.931640 
1 1 1   12   35    0 o  105.858   1.0921 10808.50  209.269 10663.64  252.858 11123.42  372.830  104.768   1.2433  106.948   1.7959 -2.179939 2.184248 
1 1 1   12   35    1 o   92.727   1.0124  8318.10  169.411  8254.04  204.437  8458.49  302.659   92.181   1.1425   93.273   1.6716 -1.091980 2.024735 
1 1 1   12   35    2 o   71.864   0.8805  5007.78  113.413  4992.35  136.238  5042.60  204.691   71.698   0.9789   72.031   1.4639 -0.3333282 1.761026 
1 1 1   12   35    3 f   42.561   0.6465  1757.98   53.373  1668.27   74.539  1852.37   76.460   41.447   0.9265   43.675   0.9019 -2.227665 1.292921 
1 1 1   12   35    4 o   33.558   0.7054  1093.13   45.934  1129.54   65.780  1058.48   64.171   34.103   0.9937   33.013   1.0014 1.090305 1.410706 
1 1 1   12   35    5 o   75.802   0.7211  5579.20  106.096  5466.29  148.563  5696.72  151.568   75.019   1.0202   76.584   1.0195 -1.564896 1.442285 
1 1 1   12   35    6 o   35.036   0.7375  1192.77   50.083  1200.33   69.046  1184.37   72.755   35.154   1.0118   34.918   1.0734 0.2361069 1.475099 
1 1 1   12   35    7 o   54.739   0.8206  2866.98   81.865  3038.75  144.956  2786.53   99.199   55.916   1.3355   53.563   0.9541 2.352970 1.641261 
1 1 1   12   35    8 o   69.085   0.7156  4636.28   95.965  4670.25  135.982  4602.58  135.449   69.337   1.0103   68.833   1.0137 0.5043259 1.431191 
1 1 1   12   35    9 f   62.840   0.7040  3829.53   85.781  3702.31  117.891  3972.68  125.051   61.734   0.9838   63.947   1.0074 -2.212986 1.408069 
1 1 1   12   35   10 f   70.704   0.7384  4856.86  101.344  4895.66  143.829  4818.60  142.821   70.985   1.0438   70.424   1.0447 0.5608978 1.476819 
1 1 1   12   35   11 f   51.143   0.7308  2541.84   72.553  2531.32  102.899  2552.24  102.314   51.038   1.0386   51.249   1.0285 -0.2110748 1.461659 
1 1 1   12   35   12 o   98.721   0.8858  9476.09  169.758  9466.85  240.149  9485.33  239.998   98.673   1.2538   98.770   1.2518 -0.9654236E-01 1.771669 
1 1 1   12   35   13 o  124.668   1.1197 15132.83  270.955 15040.91  381.928 15225.98  384.460  124.286   1.5830  125.049   1.5838 -0.7621384 2.239315 
1 1 1   12   35   14 o  117.120   1.0638 13359.76  241.861 13400.08  343.097 13319.93  341.000  117.295   1.5069  116.945   1.5021 0.3499985 2.127677 
1 1 1   12   35   15 o   52.183   0.7558  2648.67   76.551  2602.75  107.636  2695.66  108.894   51.725   1.0720   52.641   1.0657 -0.9157715 1.511548 
1 1 1   12   35   16 o   98.532   0.9294  9460.52  177.757  9317.22  250.087  9606.83  252.706   97.777   1.3176   99.287   1.3112 -1.509956 1.858845 
1 1 1   12   35   17 o   34.096   0.9166  1133.95   60.665  1137.58   85.673  1130.31   85.912   34.151   1.2923   34.041   1.3001 0.1102867 1.833166 
1 1 1   12   35   18 o   18.434   1.6049  339.393   56.766  291.506   82.217  383.017   78.473   17.148   2.4699   19.720   2.0499 -2.572512 3.209807 
1 1 1   12   35   19 o   30.976   0.9921  941.124   59.404  926.444   87.770  953.533   80.696   30.739   1.4709   31.214   1.3318 -0.4745350 1.984268 
1 1 1   12   35   20 o   33.460   0.9013  1097.34   58.005  1096.40   88.145  1098.07   77.037   33.426   1.3585   33.495   1.1848 -0.6925964E-01 1.802568 
1 1 1   12   35   21 o   18.786   1.5039  350.816   54.364  367.429   83.263  338.471   71.775   19.141   2.2409   18.430   2.0062 0.7108021 3.007729 
1 1 1   12   35   22 o   21.995   1.3928  490.813   57.907  453.076   90.811  516.674   75.174   21.186   2.2081   22.804   1.6982 -1.618063 2.785631 
1 1 1   12   35   23 o   38.338   0.9102  1447.10   67.608  1483.82   99.227  1415.29   92.367   38.776   1.3182   37.899   1.2555 0.8770981 1.820461 
1 1 1   12   35   24 o   24.974   1.4143  630.031   68.030  666.911  103.946  602.397   89.978   25.554   2.0955   24.395   1.9001 1.159597 2.828650 
1 1 1   12   36    0 o   8.6394   2.3506   52.028   48.140   60.059   53.557   18.244  109.849   8.1990   2.8013   9.0797   3.7754 -0.8806562 4.701200 
1 1 1   12   36    1 o   8.8591   2.3138   44.695   47.838   24.546   55.512  102.835   94.297   6.9492   2.7583   10.769   3.7156 -3.819727 4.627572 
1 1 1   12   36    2 o   62.365   0.8570  3760.14   94.219  3734.68  111.691  3822.94  175.446   62.014   0.9278   62.717   1.4411 -0.7036324 1.713940 
1 1 1   12   36    3 o   72.076   0.8882  5079.98  114.811  5133.64  138.471  4961.94  205.370   72.703   0.9812   71.448   1.4808 1.255707 1.776316 
1 1 1   12   36    4 o   64.960   0.6732  4097.75   84.888  4048.23  119.283  4148.58  120.832   64.562   0.9518   65.357   0.9524 -0.7952652 1.346458 
1 1 1   12   36    5 o   35.799   0.7245  1244.82   50.345  1243.36   71.482  1246.26   70.918   35.778   1.0292   35.820   1.0199 -0.4191208E-01 1.448993 
1 1 1   12   36    6 o   52.204   0.6651  2646.97   67.390  2653.56   94.601  2640.18   96.023   52.270   0.9323   52.137   0.9488 0.1324959 1.330203 
1 1 1   12   36    7 o   41.566   0.7204  1677.72   58.116  1644.66   81.192  1712.45   83.223   41.147   1.0165   41.986   1.0211 -0.8392868 1.440824 
1 1 1   12   36    8 o   53.372   0.6890  2767.86   71.302  2781.94   98.699  2752.49  103.118   53.515   0.9501   53.229   0.9980 0.2862282 1.377932 
1 1 1   12   36    9 o   28.876   0.9364  810.881   52.457  803.363   75.360  817.948   73.063   28.746   1.3505   29.007   1.2976 -0.2616367 1.872856 
1 1 1   12   36   10 f   86.831   1.0163  7250.94  159.014  7114.13  191.150  7558.34  286.537   85.552   1.1510   88.111   1.6753 -2.559296 2.032572 
1 1 1   12   36   11 o   97.654   0.8981  9272.19  170.241  9234.36  240.026  9310.48  241.495   97.453   1.2688   97.854   1.2714 -0.4004440 1.796167 
1 1 1   12   36   12 o   62.835   0.7341  3837.17   89.531  3893.26  126.932  3781.63  126.302   63.293   1.0331   62.378   1.0431 0.9148026 1.468105 
1 1 1   12   36   13 o   77.810   0.8059  5886.77  121.704  5873.64  170.675  5900.35  173.595   77.723   1.1312   77.897   1.1480 -0.1744003 1.611728 
1 1 1   12   36   14 o   74.437   0.7989  5385.29  115.377  5540.31  166.511  5242.12  160.017   75.465   1.1367   73.408   1.1229 2.056870 1.597807 
1 1 1   12   36   15 o   49.264   0.7736  2359.11   73.934  2460.94  106.507  2264.42  102.713   50.289   1.0910   48.239   1.0969 2.050411 1.547108 
1 1 1   12   36   16 o   12.194   1.9570  153.217   52.451   28.080   75.820  268.067   72.637   7.8814   3.1908   16.507   2.2668 -8.625819 3.914026 
1 1 1   12   36   17 o   27.416   1.1103  735.131   58.960  671.615   82.391  801.797   84.409   26.196   1.6202   28.637   1.5184 -2.440916 2.220547 
1 1 1   12   36   18 o   23.059   1.2661  524.037   56.430  578.876   79.790  469.157   79.820   24.285   1.6926   21.833   1.8833 2.451296 2.532134 
1 1 1   12   36   19 o   22.611   1.2264  509.225   53.242  442.594   77.371  569.158   73.380   21.160   1.8836   24.062   1.5710 -2.901827 2.452749 
1 1 1   12   36   20 o   10.373   2.0443  101.959   53.628 -22.3431   79.617  205.196   72.558   6.7539   3.0078   13.992   2.7694 -7.238306 4.088538 
1 1 1   12   36   21 o   10.955   2.3173  122.172   55.054  179.353   81.908   75.051   74.355   12.864   3.2724   9.0453   3.2821 3.818494 4.634687 
1 1 1   12   36   22 o   24.192   1.3110  592.271   60.736  517.078   89.371  656.802   82.793   22.677   2.0302   25.707   1.6591 -3.029556 2.621945 
1 1 1   12   36   23 o   21.176   1.5006  466.851   59.188  406.875   94.244  505.914   76.060   19.871   2.4432   22.481   1.7429 -2.609608 3.001154 
1 1 1   12   36   24 o   18.355   1.9287  349.075   65.028  489.208  100.851  249.357   85.074   21.702   2.3940   15.008   3.0247 6.693916 3.857400 
1 1 1   12   37    0 o  131.411   1.2728 16731.84  304.638 16609.98  370.736 16985.20  534.541  130.725   1.4610  132.096   2.0846 -1.371262 2.545593 
1 1 1   12   37    1 o  128.864   1.2590 16200.00  296.580 16295.84  363.412 16008.88  513.190  129.483   1.4458  128.245   2.0615 1.238678 2.517948 
1 1 1   12   37    2 o   96.167   1.0487  8935.86  181.637  8846.74  218.708  9133.99  326.091   95.425   1.1807   96.908   1.7335 -1.482803 2.097355 
1 1 1   12   37    3 o   25.292   1.3880  652.635   56.885  679.727   65.346  567.866  115.589   26.448   1.2728   24.136   2.4671 2.312475 2.776072 
1 1 1   12   37    4 o   41.236   0.9262  1648.31   66.112  1643.30   77.522  1661.69  126.603   41.133   0.9709   41.339   1.5777 -0.2059135 1.852494 
1 1 1   12   37    5 o   74.518   0.9091  5365.83  120.785  5319.49  144.303  5474.28  220.743   74.003   1.0045   75.034   1.5155 -1.031517 1.818212 
1 1 1   12   37    6 o   60.867   0.6821  3596.05   80.557  3473.06  112.321  3726.32  115.600   59.796   0.9677   61.938   0.9615 -2.142113 1.364120 
1 1 1   12   37    7 o   36.268   0.7656  1277.05   53.874  1243.57   74.814  1313.11   77.643   35.775   1.0773   36.762   1.0880 -0.9863625 1.531127 
1 1 1   12   37    8 o   99.537   0.8997  9630.24  173.841  9597.25  244.878  9663.75  246.829   99.365   1.2696   99.708   1.2753 -0.3430023 1.799464 
1 1 1   12   37    9 o   21.065   1.2554  445.588   49.737  531.873   67.429  342.615   73.662   23.382   1.4856   18.748   2.0241 4.634222 2.510745 
1 1 1   12   37   10 o   11.309   2.2438  127.980   52.145   95.902   73.248  160.943   74.251   10.054   3.2727   12.564   3.0705 -2.509926 4.487605 
1 1 1   12   37   11 o   75.176   0.9199  5459.21  127.748  5616.11  218.539  5377.77  157.451   75.969   1.4819   74.384   1.0904 1.585289 1.839883 
1 1 1   12   37   12 o   23.531   1.2019  540.263   54.610  531.620   81.167  547.411   73.814   23.354   1.7904   23.708   1.6039 -0.3541832 2.403744 
1 1 1   12   37   13 o   81.282   0.8302  6425.45  130.967  6489.71  187.285  6363.95  183.212   81.678   1.1812   80.885   1.1669 0.7930374 1.660378 
1 1 1   12   37   14 f   68.616   0.7660  4581.78  102.000  4641.03  143.148  4520.67  145.377   69.069   1.0677   68.163   1.0987 0.9061737 1.532015 
1 1 1   12   37   15 o   12.348   2.1382  157.492   52.611   97.393   74.274  218.008   74.532   10.063   3.2965   14.634   2.7240 -4.570751 4.276371 
1 1 1   12   37   16 o   16.944   1.7415  289.060   54.955  228.221   76.801  352.892   78.668   14.947   2.7482   18.940   2.1396 -3.993468 3.482948 
1 1 1   12   37   17 o   28.938   1.0791  820.764   60.511  859.473   84.590  780.196   86.597   29.647   1.4699   28.230   1.5802 1.416727 2.158156 
1 1 1   12   37   18 o   38.548   0.8355  1451.02   62.501  1468.61   89.702  1434.42   87.133   38.773   1.1918   38.323   1.1713 0.4497604 1.671008 
1 1 1   12   37   19 f   15.809   1.7811  247.417   51.680  356.485   80.174  169.885   67.597   18.905   2.1847   12.713   2.8135 6.192375 3.562122 
1 1 1   12   37   20 o   12.483   2.1942  170.024   53.129  137.804   81.857  193.478   69.839   11.388   3.4247   13.579   2.7440 -2.190351 4.388361 
1 1 1   12   37   21 o   14.386   2.0667  219.727   55.302  229.083   84.517  212.722   73.131   14.593   3.0802   14.179   2.7563 0.4147654 4.133415 
1 1 1   12   37   22 o   19.105   1.5800  368.090   58.077  389.548   89.160  352.274   76.543   19.540   2.3506   18.670   2.1120 0.8706589 3.160038 
1 1 1   12   37   23 o   32.321   1.0563  1031.94   65.225  1080.35  102.640  999.150   84.475   32.890   1.6076   31.752   1.3705 1.137980 2.112531 
1 1 1   12   38    0 o   60.024   0.8599  3532.50   91.009  3578.06  108.441  3423.97  167.376   60.698   0.9203   59.350   1.4528 1.347954 1.719789 
1 1 1   12   38    1 o   72.462   0.9031  5136.81  116.959  5191.89  140.678  5013.52  210.479   73.112   0.9912   71.812   1.5099 1.300461 1.806184 
1 1 1   12   38    2 o   72.302   0.8760  5094.74  114.711  5122.12  139.317  5037.11  202.140   72.619   0.9883   71.984   1.4466 0.6347733 1.751967 
1 1 1   12   38    3 o   95.320   1.0390  8799.27  179.506  8739.05  217.497  8927.94  317.903   94.838   1.1814   95.802   1.7094 -0.9637833 2.077966 
1 1 1   12   38    4 o   38.769   1.0765  1443.17   79.383  1375.01  101.465  1550.74  127.458   37.610   1.3898   39.929   1.6444 -2.318821 2.153068 
1 1 1   12   38    5 o   7.7953   2.1420   20.287   54.480   81.660   62.588 -171.6299  110.678   9.3001   3.0251   6.2905   3.0334 3.009631 4.283999 
1 1 1   12   38    6 o   18.284   1.8731  344.477   55.886  359.045   65.427  305.166  107.473   19.206   1.7549   17.362   3.3097 1.843956 3.746171 
1 1 1   12   38    7 o   69.927   0.7221  4751.73   97.997  4655.43  139.145  4846.50  138.039   69.223   1.0355   70.631   1.0068 -1.408134 1.444273 
1 1 1   12   38    8 o   25.427   1.0276  626.436   50.595  662.967   74.856  595.711   68.651   26.106   1.4772   24.748   1.4290 1.357784 2.055266 
1 1 1   12   38    9 o   45.943   0.7328  2051.23   65.343  2049.23   93.226  2053.16   91.612   45.921   1.0458   45.966   1.0267 -0.4505157E-01 1.465579 
1 1 1   12   38   10 o   29.427   0.9601  843.484   54.762  800.375   78.099  885.179   76.808   28.684   1.4026   30.170   1.3115 -1.485630 1.920272 
1 1 1   12   38   11 o   53.506   0.7469  2782.52   77.560  2704.94  109.178  2861.56  110.201   52.753   1.0662   54.260   1.0463 -1.507298 1.493779 
1 1 1   12   38   12 o   70.595   0.7638  4845.61  104.667  4886.70  147.974  4804.46  148.068   70.895   1.0752   70.295   1.0851 0.6002426 1.527612 
1 1 1   12   38   13 o   14.263   2.0057  207.432   54.027  177.275   80.117  232.582   73.166   13.133   3.1772   15.393   2.4486 -2.260094 4.011312 
1 1 1   12   38   14 o   44.635   0.8006  1939.39   69.356  1969.65   97.967  1908.98   98.201   44.985   1.1219   44.285   1.1423 0.7004433 1.601112 
1 1 1   12   38   15 o   23.428   1.2347  537.985   55.901  601.645   79.635  476.146   78.488   24.806   1.6538   22.049   1.8338 2.756819 2.469348 
1 1 1   12   38   16 o   33.799   0.9086  1114.66   59.611  1127.27   84.206  1102.00   84.398   33.991   1.2762   33.606   1.2938 0.3856926 1.817261 
1 1 1   12   38   17 f   36.233   0.8658  1283.55   60.808  1342.44   85.168  1222.32   86.847   37.089   1.1830   35.377   1.2646 1.711926 1.731684 
1 1 1   12   38   18 o   6.6503   2.0509 -11.1930   50.282   8.4868   71.367 -30.5918   70.856   7.0948   3.0024   6.2057   2.7947 0.8891120 4.101749 
1 1 1   12   38   19 o   17.916   1.4996  314.213   51.553  389.281   78.735  257.876   68.208   19.769   2.0517   16.062   2.1875 3.707043 2.999108 
1 1 1   12   38   20 o   7.5742   2.1027   4.8877   52.600   92.902   74.682 -81.7477   74.095   9.6723   3.3080   5.4760   2.5967 4.196338 4.205423 
1 1 1   12   38   21 o   9.6437   2.2021   77.169   55.630  171.899   79.011 -15.9533   78.338   12.535   3.2277   6.7525   2.9966 5.782351 4.404282 
1 1 1   12   38   22 o   35.950   0.9721  1283.16   67.475  1213.70   98.942  1343.55   92.256   34.997   1.4564   36.904   1.2878 -1.907383 1.944140 
1 1 1   12   38   23 o   21.415   1.5210  474.299   62.093  442.108   95.107  498.213   81.975   20.653   2.3722   22.177   1.9042 -1.523415 3.041975 
1 1 1   12   39    0 o   35.532   1.0014  1157.98   59.917  1094.20   68.412  1368.01  124.145   33.562   1.0501   37.501   1.7054 -3.939293 2.002727 
1 1 1   12   39    1 o   30.578   1.0417  892.287   54.543  874.165   63.297  944.552  107.493   29.997   1.0870   31.158   1.7772 -1.160563 2.083316 
1 1 1   12   39    2 o   73.312   0.9199  5182.42  120.047  5121.58  143.141  5326.68  220.409   72.612   1.0155   74.012   1.5341 -1.400803 1.839789 
1 1 1   12   39    3 o  103.518   1.1120 10408.92  208.808 10384.85  253.462 10459.77  368.368  103.370   1.2631  103.666   1.8305 -0.2963638 2.224056 
1 1 1   12   39    4 o   82.193   0.9723  6596.57  144.233  6646.20  174.736  6490.46  255.508   82.706   1.0884   81.679   1.6115 1.026672 1.944597 
1 1 1   12   39    5 o   36.185   0.9935  1307.77   63.647  1362.16   76.665  1187.14  114.170   37.443   1.0548   34.927   1.6839 2.516293 1.987012 
1 1 1   12   39    6 o   60.931   0.8729  3609.05   94.565  3609.91  112.993  3607.02  172.774   60.960   0.9549   60.902   1.4615 0.5881119E-01 1.745734 
1 1 1   12   39    7 o   9.2653   2.3472   69.004   57.318  110.327   69.707 -17.2663  100.719   10.551   3.1575   7.9797   3.4738 2.571138 4.694359 
1 1 1   12   39    8 o   51.483   0.9109  2566.31   82.295  2551.61   97.282  2603.30  154.319   51.245   0.9779   51.721   1.5371 -0.4753456 1.821784 
1 1 1   12   39    9 o   31.485   0.8806  962.028   53.554  981.444   80.189  946.395   71.953   31.769   1.3003   31.201   1.1880 0.5674877 1.761292 
1 1 1   12   39   10 o   66.041   0.7297  4238.72   93.543  4260.51  132.781  4217.24  131.805   66.210   1.0331   65.873   1.0308 0.3368149 1.459384 
1 1 1   12   39   11 o   64.266   0.7407  4011.02   92.362  4180.85  132.851  3852.15  128.496   65.581   1.0436   62.950   1.0516 2.631554 1.481484 
1 1 1   12   39   12 o   34.863   0.9073  1183.99   61.354  1142.10   87.298  1224.88   86.248   34.251   1.3130   35.476   1.2524 -1.224400 1.814528 
1 1 1   12   39   13 o   45.734   0.7658  2035.69   67.773  2027.10   99.714  2043.07   92.395   45.639   1.1255   45.828   1.0386 -0.1885834 1.531509 
1 1 1   12   39   14 o   6.8682   2.1240 -16.3955   54.006   0.1405   77.651 -31.8885   75.162   7.2685   3.1056   6.4679   2.8983 0.8006339 4.247952 
1 1 1   12   39   15 o   22.122   1.2318  477.424   52.784  520.779   77.333  439.609   72.224   23.060   1.7275   21.184   1.7563 1.876394 2.463564 
1 1 1   12   39   16 o   22.992   1.5514  477.468   65.852  385.082   79.498  679.455  117.548   19.771   2.0714   26.214   2.3100 -6.443859 3.102723 
1 1 1   12   39   17 o   18.291   1.5540  332.620   55.017  319.946   79.903  344.047   75.867   17.941   2.2943   18.641   2.0966 -0.6996689 3.107988 
1 1 1   12   39   18 o   8.4242   2.2580   54.883   50.364   65.205   77.057   47.185   66.545   8.8709   3.3195   7.9774   3.0618 0.8935032 4.515965 
1 1 1   12   39   19 o   12.384   2.1462  166.793   51.492  132.736   78.287  192.760   68.359   11.194   3.3453   13.574   2.6894 -2.380484 4.292307 
1 1 1   12   39   20 o   22.844   1.3484  523.894   58.782  642.799   84.200  410.847   82.100   25.452   1.7042   20.237   2.0900 5.215038 2.696736 
1 1 1   12   39   21 o   34.231   1.0057  1157.22   66.792  1182.45   96.417  1133.94   92.614   34.584   1.4362   33.879   1.4083 0.7049026 2.011436 
1 1 1   12   39   22 o   28.212   1.1894  797.300   64.873  778.919   95.440  813.086   88.447   27.868   1.7642   28.557   1.5955 -0.6886578 2.378724 
1 1 1   12   40    0 o  106.710   1.2070 11125.38  233.447 11210.31  283.895 10948.05  410.237  107.388   1.3619  106.032   1.9931 1.356438 2.413957 
1 1 1   12   40    1 o   86.660   1.0047  7333.53  158.545  7394.80  193.657  7209.00  276.098   87.237   1.1436   86.082   1.6523 1.155388 2.009433 
1 1 1   12   40    2 o  101.837   1.0969 10027.98  201.891  9925.76  243.822 10250.91  360.077  101.056   1.2429  102.618   1.8076 -1.562332 2.193702 
1 1 1   12   40    3 o   80.771   0.9628  6354.04  140.760  6373.79  170.771  6312.19  248.605   80.992   1.0862   80.549   1.5899 0.4429703 1.925552 
1 1 1   12   40    4 o   30.720   1.1473  960.554   62.137  1029.89   75.318  812.795  109.950   32.553   1.1919   28.887   1.9608 3.666183 2.294619 
1 1 1   12   40    5 o   11.837   2.3828  145.265   55.099  159.652   65.032  108.661  103.729   12.540   2.7475   11.134   3.8939 1.405739 4.765599 
1 1 1   12   40    6 o   63.918   0.8990  4024.73  103.711  4119.44  126.179  3827.53  182.080   65.113   0.9983   62.722   1.4955 2.391033 1.798051 
1 1 1   12   40    7 o   52.746   0.8937  2645.52   82.980  2567.59   97.759  2846.39  156.957   51.406   0.9797   54.086   1.4950 -2.680115 1.787371 
1 1 1   12   40    8 o   70.186   0.9300  4845.92  118.707  4953.81  145.370  4629.98  205.652   71.397   1.0489   68.975   1.5359 2.422058 1.859913 
1 1 1   12   40    9 o   85.251   1.0054  7170.52  157.627  7395.31  195.673  6755.02  266.032   87.217   1.1558   83.285   1.6455 3.931885 2.010843 
1 1 1   12   40   10 o   49.474   0.8986  2338.74   82.580  2241.93  101.867  2524.32  141.041   48.022   1.0928   50.927   1.4267 -2.905403 1.797110 
1 1 1   12   40   11 o   56.174   0.7298  3067.36   79.516  3085.71  114.917  3050.50  110.141   56.333   1.0509   56.014   1.0129 0.3186684 1.459595 
1 1 1   12   40   12 o   36.019   0.8969  1263.20   62.698  1255.94   87.713  1270.80   89.656   35.914   1.2582   36.124   1.2785 -0.2100258 1.793769 
1 1 1   12   40   13 o   48.205   0.7787  2257.63   72.776  2421.18  105.244  2107.76  100.746   49.877   1.0870   46.533   1.1153 3.343407 1.557412 
1 1 1   12   40   14 o   20.163   1.4118  400.098   54.903  345.485   77.083  456.333   78.220   18.749   2.1180   21.578   1.8674 -2.828798 2.823659 
1 1 1   12   40   15 o   22.335   1.2666  489.209   54.912  487.052   77.155  491.424   78.169   22.286   1.7835   22.383   1.7991 -0.9778404E-01 2.533267 
1 1 1   12   40   16 o   21.554   1.3192  458.731   54.998  492.386   76.791  423.286   78.807   22.384   1.7673   20.725   1.9589 1.659241 2.638309 
1 1 1   12   40   17 o   26.770   1.0720  706.791   55.409  667.136   81.204  741.339   75.795   26.046   1.6061   27.495   1.4201 -1.449511 2.143909 
1 1 1   12   40   18 f   19.773   1.3826  386.598   52.735  404.984   79.856  372.379   70.227   20.168   2.0398   19.378   1.8669 0.7891502 2.765162 
1 1 1   12   40   19 o   12.651   2.2080  170.678   54.821  221.356   79.503  124.740   75.694   14.452   2.9342   10.850   3.3001 3.601910 4.415901 
1 1 1   12   40   20 o   32.241   1.0227  1026.01   63.984  1044.36   92.029  1008.83   89.019   32.516   1.4580   31.967   1.4346 0.5490227 2.045422 
1 1 1   12   40   21 o   35.994   0.9492  1279.15   66.318  1303.47   94.329  1255.39   93.256   36.334   1.3374   35.653   1.3474 0.6809883 1.898492 
1 1 1   12   40   22 o   27.270   1.2114  746.638   64.065  747.352   92.684  745.985   88.653   27.262   1.7514   27.278   1.6742 -0.1594734E-01 2.422861 
1 1 1   12   41    0 o   75.695   0.9723  5550.24  130.343  5520.47  155.076  5621.90  240.578   75.378   1.0598   76.013   1.6304 -0.6350327 1.944625 
1 1 1   12   41    1 o   16.622   2.0577  229.489   55.059  194.678   61.535  369.268  123.305   14.129   2.2435   19.115   3.4500 -4.985681 4.115365 
1 1 1   12   41    2 o   37.211   1.0200  1384.48   66.804  1441.37   80.126  1254.79  120.989   38.516   1.0717   35.906   1.7359 2.610104 2.040044 
1 1 1   12   41    3 o   39.465   0.9619  1519.18   66.399  1525.67   78.519  1502.90  124.403   39.628   1.0207   39.302   1.6306 0.3262901 1.923745 
1 1 1   12   41    4 o   94.556   1.0557  8683.18  181.832  8656.85  221.543  8737.54  318.287   94.373   1.2093   94.739   1.7307 -0.3665695 2.111362 
1 1 1   12   41    5 f   56.169   0.9064  2972.58   88.925  2857.27  104.007  3285.94  171.454   54.228   0.9880   58.111   1.5199 -3.882706 1.812860 
1 1 1   12   41    6 o   39.312   1.0561  1467.94   72.722  1423.07   85.371  1586.63  138.833   38.263   1.1494   40.361   1.7720 -2.098080 2.112152 
1 1 1   12   41    7 o   98.628   1.1014  9515.81  197.645  9608.28  241.331  9327.45  344.437   99.408   1.2506   97.848   1.8134 1.559288 2.202831 
1 1 1   12   41    8 o   25.638   1.4425  595.792   66.675  528.015   78.862  765.675  124.853   23.280   1.7451   27.995   2.2975 -4.715258 2.885073 
1 1 1   12   41    9 o   43.945   1.0170  1959.23   80.130  2112.75   98.560  1659.93  137.620   46.618   1.0891   41.272   1.7177 5.345989 2.033912 
1 1 1   12   41   10 o   29.602   5.9078  599.816   77.305  594.132   77.571  1425.44  934.834   24.690   1.6185   34.515   11.704 -9.825346 11.81556 
1 1 1   12   41   11 o   55.856   0.9120  2981.11   92.440  2883.01  111.467  3197.20  165.427   54.442   1.0548   57.270   1.4880 -2.828136 1.823940 
1 1 1   12   41   12 o   64.036   0.9445  4013.75  109.215  4045.18  132.405  3946.82  193.187   64.478   1.0579   63.595   1.5649 0.8827705 1.888919 
1 1 1   12   41   13 o   45.180   0.7645  1986.83   66.887  1993.89   98.102  1980.69   91.436   45.250   1.1168   45.109   1.0442 0.1406975 1.528953 
1 1 1   12   41   14 o   40.240   0.8209  1581.18   64.003  1502.91   91.729  1655.44   89.345   39.262   1.2036   41.219   1.1166 -1.957203 1.641772 
1 1 1   12   41   15 o   13.056   2.0057  171.306   51.707  264.359   76.596   93.401   70.085   16.332   2.4161   9.7796   3.2021 6.552172 4.011366 
1 1 1   12   41   16 o   10.074   2.2604   93.967   53.905  157.978   77.028   32.534   75.461   12.242   3.2041   7.9061   3.1894 4.335900 4.520873 
1 1 1   12   41   17 o   16.009   1.8092  260.892   54.209  319.678   79.213  209.111   74.343   17.881   2.2822   14.137   2.8080 3.743395 3.618414 
1 1 1   12   41   18 o   15.485   1.7623  238.693   50.506  328.194   77.922  173.853   66.324   18.110   2.2166   12.861   2.7405 5.249036 3.524701 
1 1 1   12   41   19 o   8.5955   2.1907   38.979   55.131 -50.8572   77.232  132.319   78.723   6.0892   2.8085   11.102   3.3630 -5.012410 4.381496 
1 1 1   12   41   20 o   44.821   0.8417  1974.61   73.227  1958.61  104.063  1990.30  103.062   44.636   1.2010   45.005   1.1797 -0.3696938 1.683487 
1 1 1   12   41   21 o   32.817   1.0174  1069.86   64.626  978.519   91.454  1160.96   91.337   31.385   1.5011   34.249   1.3738 -2.864798 2.034894 
1 1 1   12   41   22 o   6.9585   2.1975 -15.0929   60.806 -38.8446   91.820   3.4591   81.150   6.7792   3.1029   7.1378   3.1125 -0.3586507 4.394954 
1 1 1   12   42    0 o   67.086   0.9212  4347.60  108.940  4310.05  129.088  4440.53  203.069   66.607   0.9984   67.564   1.5483 -0.9568863 1.842301 
1 1 1   12   42    1 o   69.946   1.0269  4753.26  139.427  4753.26  139.427   0.0000   0.0000   69.946   1.0269  ?   ?       ?      ? 
1 1 1   12   42    2 o  104.933   1.1867 10704.75  225.831 10681.90  274.107 10753.05  398.455  104.812   1.3472  105.055   1.9539 -0.2428360 2.373335 
1 1 1   12   42    3 o   11.732   2.4000  152.288   58.003  185.350   65.994   40.028  121.606   13.545   2.6045   9.9191   4.0319 3.625921 4.799991 
1 1 1   12   42    4 o   39.704   1.0258  1506.01   69.595  1476.33   80.682  1592.28  137.567   38.976   1.0664   40.433   1.7527 -1.457386 2.051628 
1 1 1   12   42    5 o   64.651   0.9282  4070.10  107.029  4078.56  128.245  4050.70  194.277   64.786   1.0197   64.516   1.5513 0.2706528 1.856434 
1 1 1   12   42    6 o   30.086   1.3029  918.477   65.199  956.226   75.754  810.620  128.050   31.360   1.2444   28.812   2.2895 2.547630 2.605819 
1 1 1   12   42    7 o   64.834   0.9381  4094.93  110.049  4105.82  133.459  4071.81  194.528   64.995   1.0578   64.673   1.5495 0.3215942 1.876139 
1 1 1   12   42    8 o   89.580   1.0579  7836.78  172.226  7882.82  209.859  7741.81  301.410   90.032   1.2008   89.127   1.7421 0.9049072 2.115869 
1 1 1   12   42    9 o   20.594   1.8194  412.495   65.351  408.131   76.890  423.849  124.030   20.446   1.9373   20.743   3.0802 -0.2972698 3.638836 
1 1 1   12   42   10 f   40.336   1.0266  1605.50   74.779  1641.81   91.020  1530.09  131.167   41.078   1.1415   39.595   1.7066 1.482853 2.053124 
1 1 1   12   42   11 o   30.722   1.1190  926.935   62.877  938.929   77.238  903.368  108.265   31.048   1.2816   30.397   1.8348 0.6501961 2.238050 
1 1 1   12   42   12 o   50.838   0.9727  2562.64   90.321  2651.77  111.465  2392.22  154.129   52.190   1.1002   49.486   1.6045 2.704559 1.945481 
1 1 1   12   42   13 o   30.650   1.2202  904.467   67.877  877.567   81.933  963.324  121.194   29.981   1.4078   31.319   1.9935 -1.338335 2.440477 
1 1 1   12   42   14 o   22.340   1.5843  526.494   61.523  582.294   74.799  409.792  108.173   24.390   1.5798   20.289   2.7466 4.101259 3.168541 
1 1 1   12   42   15 o   35.813   1.0627  1268.76   68.678  1290.28   83.440  1223.57  120.927   36.353   1.1824   35.273   1.7661 1.080025 2.125377 
1 1 1   12   42   16 o   11.013   2.2651  125.863   55.018   61.853   80.487  182.004   75.378   8.8879   3.3778   13.138   3.0190 -4.250175 4.530295 
1 1 1   12   42   17 o   7.5470   2.0400   21.976   49.237 -75.7865   77.688   87.605   63.653   5.7571   2.7084   9.3369   3.0514 -3.579794 4.079998 
1 1 1   12   42   18 o   20.437   1.4160  422.602   55.243  372.429   82.655  463.110   74.268   19.264   2.2103   21.610   1.7705 -2.345131 2.831934 
1 1 1   12   42   19 f   15.266   2.0026  243.805   57.841  288.224   84.474  204.596   79.365   16.770   2.5949   13.763   3.0508 3.007186 4.005131 
1 1 1   12   42   20 o   8.4465   2.3838   50.571   58.961   46.973   84.868   53.928   81.974   8.3959   3.3840   8.4970   3.3585 -0.1010618 4.767663 
1 1 1   12   42   21 o   21.186   1.5677  465.230   63.645  405.431   93.049  517.803   87.247   19.782   2.4231   22.590   1.9896 -2.807688 3.135334 
1 1 1   12   43    0 o   30.550   1.1751  884.275   60.061  861.659   68.783  956.877  123.239   29.772   1.1902   31.328   2.0265 -1.555792 2.350152 
1 1 1   12   43    1 o   98.493   1.1475  9518.17  204.549  9654.33  248.871  9234.68  359.094   99.642   1.2867   97.345   1.9003 2.296181 2.294944 
1 1 1   12   43    2 o   42.942   1.0274  1737.74   72.977  1688.99   83.079  1902.43  152.698   41.691   1.0266   44.194   1.7799 -2.503162 2.054767 
1 1 1   12   43    3 o   78.592   0.9992  6004.67  141.061  5998.67  169.848  6018.02  253.251   78.562   1.1137   78.622   1.6594 -0.6040955E-01 1.998478 
1 1 1   12   43    4 o   23.945   1.5050  567.414   59.707  575.105   68.727  543.745  120.565   24.313   1.4562   23.577   2.6343 0.7360706 3.010037 
1 1 1   12   43    5 o   40.768   0.9859  1619.21   71.543  1622.67   85.598  1611.19  130.308   40.860   1.0792   40.677   1.6503 0.1827126 1.971829 
1 1 1   12   43    6 o   30.167   1.2255  904.440   64.109  927.486   75.833  846.705  120.025   30.881   1.2650   29.453   2.0993 1.427961 2.450989 
1 1 1   12   43    7 o   47.803   0.9380  2210.19   80.947  2187.98   97.660  2258.95  144.694   47.443   1.0604   48.164   1.5476 -0.7212944 1.876073 
1 1 1   12   43    8 o   17.913   2.0826  326.807   64.518  336.200   77.789  306.104  115.489   18.543   2.1611   17.283   3.5608 1.259865 4.165243 
1 1 1   12   43    9 o   33.831   1.1835  1173.81   67.691  1241.54   79.683  998.204  128.306   35.721   1.1492   31.941   2.0694 3.780340 2.367033 
1 1 1   12   43   10 o   43.007   1.0102  1789.53   78.257  1767.24   94.199  1839.19  140.594   42.612   1.1388   43.402   1.6688 -0.7899857 2.020317 
1 1 1   12   43   11 o   30.787   1.1698  945.896   67.020  1003.91   85.125  851.292  108.700   32.088   1.3666   29.486   1.8991 2.601784 2.339684 
1 1 1   12   43   12 o   37.873   1.0370  1379.19   71.110  1342.42   85.703  1460.44  127.397   37.115   1.1896   38.631   1.6989 -1.516068 2.073935 
1 1 1   12   43   13 o   13.745   2.3974  165.415   63.625   92.111   77.101  321.899  112.650   9.8838   3.3612   17.606   3.4194 -7.722342 4.794773 
1 1 1   12   43   14 o   7.1261   2.2342 -50.8943   62.501 -104.1933   80.966   27.701   98.320   5.5854   2.6671   8.6668   3.5851 -3.081398 4.468368 
1 1 1   12   43   15 o   17.493   2.0603  293.949   66.401  237.395   82.222  399.998  112.593   15.098   2.9109   19.888   2.9165 -4.789334 4.120591 
1 1 1   12   43   16 o   23.021   1.5974  553.672   66.180  605.199   82.241  459.000  111.476   24.755   1.7115   21.287   2.6977 3.467085 3.194799 
1 1 1   12   43   17 f   36.648   1.0492  1311.73   71.629  1286.24   89.138  1358.18  120.346   36.218   1.2679   37.078   1.6721 -0.8599205 2.098390 
1 1 1   12   43   18 o   17.677   2.0643  319.562   63.181  307.825   75.194  347.746  116.520   17.481   2.2159   17.873   3.4836 -0.3919754 4.128651 
1 1 1   12   43   19 o   49.818   1.0120  2501.17   90.477  2587.85  110.032  2320.20  158.986   51.358   1.1037   48.277   1.6965 3.080536 2.023904 
1 1 1   12   43   20 o   16.371   2.3892  313.809   67.898  340.904   80.903  249.260  124.874   18.255   2.2831   14.487   4.1976 3.768327 4.778359 
1 1 1   12   43   21 o   15.447   2.4336  294.355   70.565  348.071   87.009  191.129  120.616   18.278   2.4523   12.616   4.2042 5.661645 4.867107 
1 1 1   12   44    0 o   41.870   1.1221  1691.74   86.323  1662.06  105.721  1751.11  149.521   41.342   1.3174   42.398   1.8167 -1.056103 2.244115 
1 1 1   12   44    1 o   57.513   0.9441  3175.42   94.589  3124.37  111.004  3310.77  180.738   56.704   1.0085   58.322   1.5965 -1.617207 1.888291 
1 1 1   12   44    2 o   84.350   1.0231  6815.03  153.919  6656.83  183.327  7192.93  283.341   82.755   1.1412   85.946   1.6983 -3.190659 2.046131 
1 1 1   12   44    3 o   49.831   0.9266  2467.21   83.240  2563.56  101.625  2270.78  145.102   51.361   1.0193   48.301   1.5476 3.060646 1.853104 
1 1 1   12   44    4 o   26.158   1.3736  678.716   64.194  697.766   77.568  637.312  114.355   26.775   1.4924   25.540   2.3066 1.235191 2.747267 
1 1 1   12   44    5 o   27.974   1.2729  761.337   64.233  758.932   77.588  766.576  114.517   27.926   1.4313   28.022   2.1052 -0.9674072E-01 2.545703 
1 1 1   12   44    6 o   13.095   2.4759  174.850   61.668  177.652   75.134  169.065  107.951   13.188   3.0023   13.002   3.9379 0.1853142 4.951888 
1 1 1   12   44    7 o   50.858   0.9407  2472.89   85.440  2406.39  101.784  2631.54  157.210   49.748   1.0540   51.967   1.5584 -2.219662 1.881384 
1 1 1   12   44    8 o   10.237   2.3883   95.546   61.227  153.052   77.775   1.8254   99.289   12.219   3.2300   8.2543   3.5189 3.964399 4.776615 
1 1 1   12   44    9 o   31.613   1.2252  1008.34   68.522  1060.07   82.759  895.581  122.192   32.990   1.2923   30.237   2.0818 2.752769 2.450317 
1 1 1   12   44   10 o   22.901   1.5463  492.762   62.622  463.723   73.596  568.940  119.202   21.779   1.7408   24.024   2.5561 -2.244684 3.092569 
1 1 1   12   44   11 o   32.693   1.1629  1040.47   69.100  1031.68   83.932  1058.97  121.737   32.522   1.3295   32.864   1.9082 -0.3418350 2.325700 
1 1 1   12   44   12 o   23.527   1.4201  543.073   62.840  539.866   79.496  548.414  102.597   23.471   1.7448   23.583   2.2411 -0.1118584 2.840247 
1 1 1   12   44   13 o   30.590   1.2169  913.128   67.180  904.690   81.080  931.606  119.985   30.426   1.3728   30.755   2.0098 -0.3293095 2.433866 
1 1 1   12   44   14 o   16.571   2.0920  278.297   62.937  269.991   78.128  293.651  106.221   16.453   2.4463   16.689   3.3944 -0.2365036 4.184046 
1 1 1   12   44   15 o   30.697   1.2615  923.747   71.232  908.888   87.430  953.083  122.846   30.416   1.4808   30.979   2.0428 -0.5624981 2.523086 
1 1 1   12   44   16 o   23.793   1.4782  549.461   66.490  502.805   83.578  629.897  109.738   22.505   1.9131   25.081   2.2539 -2.575939 2.956393 
1 1 1   12   44   17 o   34.834   1.1244  1226.54   73.216  1319.85   94.083  1083.26  116.585   36.648   1.3225   33.021   1.8188 3.627522 2.248800 
1 1 1   12   44   18 o   10.738   2.4023  115.975   69.748  209.040   86.811 -53.5025  117.148   13.815   3.2851   7.6615   3.5061 6.153925 4.804626 
1 1 1   12   44   19 o   7.9102   2.4359   7.0029   68.610   28.126   83.998 -35.3376  118.925   7.8978   3.2942   7.9225   3.5893 -0.2470207E-01 4.871800 
1 1 1   12   44   20 o   25.245   1.5469  614.399   73.529  469.861   92.364  864.503  121.499   21.406   2.2228   29.084   2.1520 -7.678543 3.093898 
1 1 1   12   45    0 o   61.451   0.9026  3614.62   96.766  3543.18  113.570  3803.88  184.853   60.386   0.9689   62.517   1.5232 -2.130642 1.805252 
1 1 1   12   45    1 o  126.181   1.3891 15545.79  320.214 15584.59  391.839 15467.79  555.594  126.519   1.5955  125.843   2.2744 0.6759644 2.778178 
1 1 1   12   45    2 o   75.500   0.9767  5534.92  132.434  5517.19  159.351  5574.52  238.125   75.339   1.0896   75.660   1.6213 -0.3219376 1.953449 
1 1 1   12   45    3 o   51.397   0.9375  2534.25   84.471  2488.40   99.497  2652.61  159.854   50.600   1.0130   52.194   1.5778 -1.593407 1.874941 
1 1 1   12   45    4 o   41.639   1.0679  1755.39   76.799  1845.28   91.290  1537.70  142.059   43.568   1.0794   39.711   1.8429 3.857212 2.135728 
1 1 1   12   45    5 o   67.868   0.9542  4517.27  116.466  4575.86  140.887  4390.81  206.979   68.604   1.0579   67.132   1.5883 1.472412 1.908370 
1 1 1   12   45    6 o   30.452   1.2838  902.016   69.615  897.309   83.183  913.021  127.184   30.354   1.4117   30.551   2.1446 -0.1968708 2.567536 
1 1 1   12   45    7 o   38.226   1.0849  1433.57   72.795  1445.61   86.388  1404.08  135.192   38.543   1.1546   37.909   1.8371 0.6332397 2.169834 
1 1 1   12   45    8 o   58.108   0.8883  3238.35   93.598  3152.15  112.935  3427.44  167.265   56.925   1.0220   59.291   1.4533 -2.365971 1.776688 
1 1 1   12   45    9 o   28.122   1.2294  795.165   63.955  856.858   81.073  693.526  104.062   29.642   1.4090   26.602   2.0152 3.040031 2.458890 
1 1 1   12   45   10 o   55.248   0.9295  2999.95   92.217  3039.28  111.438  2914.52  164.250   55.877   1.0274   54.618   1.5492 1.259674 1.858902 
1 1 1   12   45   11 o   24.109   1.5266  606.881   64.115  662.086   77.648  488.591  113.661   26.022   1.5372   22.196   2.6379 3.825714 3.053139 
1 1 1   12   45   12 o   51.053   0.9306  2549.40   86.616  2557.62  105.812  2532.70  150.797   51.231   1.0640   50.874   1.5270 0.3572807 1.861102 
1 1 1   12   45   13 o   28.619   1.2987  746.873   67.458  651.037   80.161  979.451  124.877   25.756   1.6033   31.482   2.0434 -5.726700 2.597330 
1 1 1   12   45   14 o   23.577   1.4198  557.186   63.647  586.912   83.487  515.934   98.350   24.393   1.7632   22.762   2.2259 1.630590 2.839587 
1 1 1   12   45   15 o   17.937   2.0925  339.135   64.761  348.009   78.077  319.566  115.941   18.669   2.1545   17.205   3.5878 1.464169 4.184957 
1 1 1   12   45   16 o   37.183   0.9937  1369.06   69.957  1405.64   90.248  1314.00  110.734   37.867   1.2278   36.500   1.5629 1.367054 1.987453 
1 1 1   12   45   17 o   11.824   2.6832  144.891   67.409  124.885   83.619  182.024  113.922   10.844   3.4939   12.803   4.0732 -1.958551 5.366420 
1 1 1   12   45   18 o   6.9780   2.2606 -48.6436   69.149  -9.1903   85.280 -124.3738  118.151   7.1580   3.1539   6.7980   3.2394 0.3599825 4.521140 
1 1 1   12   45   19 o   30.708   1.3173  970.662   75.815  1055.82   98.312  845.704  119.088   32.573   1.5548   28.844   2.1269 3.728983 2.634639 
1 1 1   12   45   20 o   12.961   2.5066  202.296   68.836  263.033   90.568  119.218  105.924   15.354   3.1446   10.569   3.9043 4.784564 5.013190 
1 1 1   12   46    0 o   41.237   1.0507  1647.56   70.702  1641.08   80.465  1669.50  148.092   41.092   1.0088   41.382   1.8436 -0.2898750 2.101492 
1 1 1   12   46    1 o   92.205   1.1064  8217.92  182.857  8121.76  219.236  8437.72  331.461   91.382   1.2359   93.028   1.8355 -1.645676 2.212806 
1 1 1   12   46    2 o   90.941   1.0918  7948.75  177.143  7792.06  211.211  8320.38  325.275   89.507   1.2156   92.375   1.8140 -2.867599 2.183620 
1 1 1   12   46    3 o   18.297   1.9640  271.703   60.903  209.452   69.256  484.059  127.914   14.408   2.5704   22.186   2.9701 -7.777623 3.927921 
1 1 1   12   46    4 o   27.459   1.4118  736.678   66.834  736.763   78.268  736.451  128.426   27.503   1.4660   27.415   2.4132 0.8791161E-01 2.823597 
1 1 1   12   46    5 o   69.464   0.9631  4704.17  118.829  4711.46  141.932  4687.08  217.292   69.602   1.0505   69.327   1.6146 0.2753372 1.926299 
1 1 1   12   46    6 o   13.223   2.6134  161.875   63.221  140.016   73.393  224.751  124.474   11.696   3.1585   14.751   4.1646 -3.054778 5.226825 
1 1 1   12   46    7 o   76.061   0.9899  5671.48  136.154  5729.35  165.368  5549.72  239.900   76.727   1.1103   75.395   1.6392 1.331963 1.979792 
1 1 1   12   46    8 o   58.290   0.9267  3336.12   96.386  3375.03  115.840  3248.57  173.766   58.895   1.0132   57.685   1.5518 1.210243 1.853305 
1 1 1   12   46    9 o   8.7999   2.4744   44.285   61.892   47.800   78.246   38.410  101.159   8.5225   3.3067   9.0773   3.6819 -0.5547161 4.948801 
1 1 1   12   46   10 o   25.910   1.3889  692.464   64.502  760.604   79.900  564.962  109.296   27.900   1.4753   23.921   2.3537 3.978235 2.777869 
1 1 1   12   46   11 o   15.008   2.2176  180.581   59.994  109.501   69.604  386.007  118.328   10.399   3.1649   19.618   3.1072 -9.219192 4.435266 
1 1 1   12   46   12 o   25.239   1.3635  600.644   64.286  535.200   79.087  728.100  110.370   23.335   1.7459   27.143   2.0947 -3.807861 2.726950 
1 1 1   12   46   13 o   13.849   2.3761  216.194   63.897  255.925   78.211  136.448  110.804   15.984   2.5206   11.713   4.0285 4.271161 4.752107 
1 1 1   12   46   14 o   16.143   2.2500  259.840   65.851  214.566   81.399  345.588  112.024   14.238   3.0377   18.047   3.3200 -3.809170 4.500044 
1 1 1   12   46   15 o   7.0188   2.2441 -39.8944   65.719  -1.0744   81.262 -113.2899  111.736   7.2603   3.1404   6.7773   3.2065 0.4829764 4.488140 
1 1 1   12   46   16 o   27.099   1.3742  728.094   68.781  717.539   84.875  748.287  117.391   26.927   1.6238   27.272   2.2175 -0.3448029 2.748440 
1 1 1   12   46   17 o   24.158   1.6346  602.327   70.517  619.870   85.451  564.873  124.858   24.940   1.7651   23.375   2.7517 1.564316 3.269101 
1 1 1   12   46   18 o   13.181   2.5919  174.385   65.363  129.926   78.271  276.834  118.817   10.889   3.3638   15.473   3.9441 -4.584371 5.183750 
1 1 1   12   46   19 o   14.829   2.3493  232.055   65.396  165.238   82.545  344.689  107.173   12.057   3.3870   17.602   3.2565 -5.544996 4.698584 
1 1 1   12   47    0 o   39.627   1.0401  1560.64   68.982  1592.77   79.924  1466.77  136.589   40.478   1.0172   38.777   1.8146 1.700668 2.080223 
1 1 1   12   47    1 o   70.871   0.9499  4825.64  120.680  4727.25  144.400  5053.52  219.761   69.726   1.0669   72.016   1.5720 -2.290062 1.899845 
1 1 1   12   47    2 o   52.372   0.9129  2672.04   86.046  2676.11  103.847  2663.12  153.689   52.463   1.0197   52.280   1.5144 0.1826630 1.825706 
1 1 1   12   47    3 o   19.340   1.7363  351.983   61.516  324.417   74.238  412.384  109.892   18.209   2.1002   20.471   2.7655 -2.261114 3.472573 
1 1 1   12   47    4 o   32.535   1.1448  1060.73   66.802  1111.07   81.423  957.058  116.839   33.782   1.2416   31.287   1.9238 2.495422 2.289667 
1 1 1   12   47    5 o   14.688   2.3671  214.640   63.266  197.171   77.581  249.321  109.312   13.869   2.9711   15.506   3.6858 -1.637081 4.734170 
1 1 1   12   47    6 o   52.294   0.9266  2650.95   87.618  2627.46  105.898  2701.92  156.005   51.965   1.0498   52.623   1.5272 -0.6580048 1.853236 
1 1 1   12   47    7 o   13.058   2.5828  171.171   63.905  165.635   76.102  184.412  117.684   12.665   3.1166   13.451   4.1196 -0.7857103 5.165671 
1 1 1   12   47    8 f   49.174   0.9617  2286.94   83.120  2194.95   97.610  2529.64  158.546   47.480   1.0591   50.868   1.6056 -3.387932 1.923443 
1 1 1   12   47    9 o   23.658   1.5058  574.822   60.538  604.020   71.357  499.837  114.353   24.862   1.4786   22.454   2.6236 2.408188 3.011526 
1 1 1   12   47   10 o   22.089   1.6960  516.618   65.606  577.615   80.494  395.915  113.231   24.274   1.7083   19.905   2.9304 4.368370 3.392008 
1 1 1   12   47   11 o   46.495   0.9933  2113.89   83.247  2112.11  100.570  2117.76  148.367   46.532   1.1134   46.458   1.6452 0.7458496E-01 1.986515 
1 1 1   12   47   12 o   26.423   1.3875  681.082   64.881  667.892   76.967  713.470  120.607   26.085   1.5200   26.761   2.3217 -0.6758957 2.775061 
1 1 1   12   47   13 o   21.588   1.5633  459.457   63.122  444.513   78.774  486.265  105.510   21.178   1.9162   21.999   2.4707 -0.8217316 3.126686 
1 1 1   12   47   14 o   13.808   2.4814  183.370   64.559  130.726   78.272  295.397  114.181   11.123   3.3497   16.492   3.6620 -5.368751 4.962895 
1 1 1   12   47   15 o   33.344   1.1542  1105.93   71.134  1121.62   88.459  1077.20  119.667   33.778   1.3491   32.909   1.8732 0.8686943 2.308465 
1 1 1   12   47   16 o   29.774   1.3285  877.557   73.921  856.836   92.344  914.523  123.340   29.397   1.6182   30.150   2.1074 -0.7531090 2.657027 
1 1 1   12   47   17 o   30.789   1.3210  948.736   74.610  946.468   91.699  953.179  128.333   30.894   1.5291   30.684   2.1546 0.2099819 2.641997 
1 1 1   12   47   18 o   8.4936   2.5033   38.398   68.903   63.795   86.824  -4.8064  113.245   8.8328   3.4675   8.1544   3.6115 0.6783953 5.006638 
1 1 1   12   47   19 o   10.034   2.5657   99.252   71.475  164.218   91.938  -0.0009  113.637   11.904   3.6404   8.1635   3.6166 3.740536 5.131491 
1 1 1   12   48    0 o   22.220   1.6045  491.003   60.033  498.592   69.697  469.189  118.167   22.612   1.5879   21.829   2.7887 0.7831535 3.209086 
1 1 1   12   48    1 o   32.125   1.2055  999.807   67.289  990.601   78.989  1024.16  128.476   31.897   1.2757   32.353   2.0457 -0.4559021 2.410900 
1 1 1   12   48    2 o   32.807   1.1937  1053.44   66.760  1056.47   77.737  1044.90  130.307   32.943   1.2156   32.671   2.0546 0.2715454 2.387318 
1 1 1   12   48    3 o   58.003   0.9213  3201.47   93.631  3106.14  109.959  3452.88  178.571   56.511   1.0024   59.495   1.5462 -2.983776 1.842699 
1 1 1   12   48    4 o   51.650   0.9319  2527.23   85.626  2425.87  101.421  2778.77  159.772   49.933   1.0463   53.366   1.5423 -3.432884 1.863740 
1 1 1   12   48    5 o   66.701   0.9395  4322.67  113.396  4298.67  137.249  4374.29  201.280   66.461   1.0638   66.942   1.5489 -0.4813690 1.879094 
1 1 1   12   48    6 o   19.610   1.8588  419.582   58.659  463.011   69.652  313.636  108.789   21.764   1.6486   17.456   3.3321 4.308561 3.717662 
1 1 1   12   48    7 o   10.151   2.4022   98.998   58.922  137.467   72.770   25.762  100.406   11.548   3.1562   8.7548   3.6223 2.793073 4.804466 
1 1 1   12   48    8 o   17.591   2.1966  353.898   65.014  418.561   79.420  222.544  113.195   20.639   1.9823   14.542   3.9206 6.096532 4.393235 
1 1 1   12   48    9 o   18.648   1.9129  311.517   64.854  253.853   76.946  452.980  120.518   16.003   2.4769   21.293   2.9158 -5.289141 3.825798 
1 1 1   12   48   10 o   10.682   2.4839  116.661   58.495  136.636   68.292   61.633  113.347   11.451   3.0266   9.9126   3.9393 1.538135 4.967722 
1 1 1   12   48   11 o   24.616   1.4279  604.269   65.417  616.543   82.164  583.018  108.116   25.031   1.6910   24.201   2.3014 0.8304024 2.855849 
1 1 1   12   48   12 o   10.356   2.6676   83.501   67.062   50.766   81.926  149.979  116.750   8.5956   3.3701   12.117   4.1361 -3.521311 5.335246 
1 1 1   12   48   13 f   13.094   2.4837  170.967   62.720  130.968   77.421  247.345  106.983   11.129   3.3270   15.060   3.6888 -3.931295 4.967457 
1 1 1   12   48   14 o   19.356   2.0207  407.513   65.891  438.597   79.594  339.820  117.458   20.989   1.9536   17.724   3.5379 3.264532 4.041422 
1 1 1   12   48   15 o   19.224   1.9651  403.747   65.574  447.174   81.771  325.503  109.761   21.136   1.9930   17.313   3.3873 3.823570 3.930133 
1 1 1   12   48   16 o   22.396   1.6791  470.029   69.776  373.985   84.849  670.663  122.634   19.191   2.2776   25.601   2.4677 -6.410257 3.358116 
1 1 1   12   48   17 o   25.203   1.6578  676.340   75.751  739.809   94.968  565.331  125.596   27.166   1.8009   23.240   2.7840 3.926098 3.315675 
1 1 1   12   48   18 o   17.556   2.0694  325.723   68.054  261.765   89.670  412.604  104.512   15.351   3.1157   19.762   2.7244 -4.411110 4.138858 
1 1 1   12   49    0 o   49.393   0.9901  2415.84   83.926  2461.02   98.486  2296.02  160.386   50.300   1.0087   48.487   1.7040 1.813019 1.980173 
1 1 1   12   49    1 o   15.912   2.3278  254.604   61.749  253.103   71.016  259.256  125.014   16.057   2.2783   15.767   4.0601 0.2902288 4.655648 
1 1 1   12   49    2 o   72.432   0.9764  5088.32  126.265  5048.57  151.070  5180.43  229.979   72.026   1.0805   72.839   1.6265 -0.8123932 1.952707 
1 1 1   12   49    3 o   79.489   1.0190  6238.93  146.561  6379.55  178.697  5949.97  256.166   80.948   1.1372   78.030   1.6912 2.918358 2.037995 
1 1 1   12   49    4 o   52.425   0.9474  2633.78   85.982  2579.84  100.425  2781.90  166.414   51.490   1.0048   53.361   1.6066 -1.871567 1.894892 
1 1 1   12   49    5 o   58.256   0.9475  3348.40   98.123  3407.50  117.784  3214.35  177.388   59.165   1.0255   57.346   1.5935 1.819115 1.894995 
1 1 1   12   49    6 o   22.957   1.5798  512.463   64.539  502.507   76.853  536.281  118.868   22.650   1.7480   23.265   2.6321 -0.6147346 3.159657 
1 1 1   12   49    7 o   73.201   0.9582  5217.25  127.912  5189.85  155.960  5273.55  223.572   72.982   1.1009   73.421   1.5687 -0.4390640 1.916421 
1 1 1   12   49    8 o   29.173   1.1878  823.694   64.414  798.715   79.740  870.608  109.279   28.583   1.4372   29.762   1.8915 -1.179903 2.375536 
1 1 1   12   49    9 o   11.601   2.6253  134.351   63.388  133.680   75.827  135.908  115.507   11.348   3.2661   11.855   4.1111 -0.5076790 5.250538 
1 1 1   12   49   10 o   46.943   0.9675  2161.43   82.159  2167.26   99.657  2149.04  145.163   47.119   1.0896   46.767   1.5990 0.3521996 1.934935 
1 1 1   12   49   11 o   7.2334   2.3061 -35.2228   62.515 -44.7371   74.691 -12.9659  114.238   6.1235   2.8013   8.3434   3.6640 -2.219935 4.612151 
1 1 1   12   49   12 o   9.9101   2.5715   90.121   63.982  108.038   77.381   51.394  113.762   10.289   3.3645   9.5311   3.8898 0.7580633 5.143003 
1 1 1   12   49   13 o   20.084   1.7654  395.397   66.935  358.839   83.871  459.526  111.084   18.908   2.2851   21.261   2.6915 -2.353294 3.530743 
1 1 1   12   49   14 o   15.323   2.2893  292.078   65.882  379.149   81.388  126.578  112.208   19.422   2.1587   11.224   4.0377 8.198282 4.578506 
1 1 1   12   49   15 o   9.6777   2.4091   83.649   62.617  148.566   83.505   0.2524   94.647   11.637   3.4499   7.7188   3.3637 3.917920 4.818281 
1 1 1   12   49   16 o   8.0262   2.4656  -4.2399   67.148 -32.4508   81.331   56.163  119.008   6.5360   2.9640   9.5164   3.9410 -2.980396 4.931243 
1 1 1   12   49   17 o   24.136   1.5640  577.660   71.224  521.028   89.125  677.751  118.485   22.652   2.0269   25.620   2.3824 -2.968216 3.127947 
1 1 1   12   50    0 o   10.486   2.5005  100.406   55.702   97.949   65.223  107.026  107.072   9.9333   3.0710   11.038   3.9470 -1.104694 5.000953 
1 1 1   12   50    1 o   68.031   0.9275  4449.24  113.279  4350.98  135.665  4675.51  205.863   66.862   1.0453   69.201   1.5325 -2.339394 1.855029 
1 1 1   12   50    2 f   18.872   1.7707  343.201   60.629  329.114   73.012  374.488  108.815   18.313   2.0539   19.431   2.8849 -1.117863 3.541371 
1 1 1   12   50    3 f   22.399   1.5174  483.544   61.762  466.494   74.561  520.820  110.248   21.829   1.7596   22.969   2.4726 -1.140266 3.034799 
1 1 1   12   50    4 o   17.088   2.1552  326.721   59.574  360.870   69.924  236.289  113.787   19.182   1.8779   14.994   3.8798 4.188479 4.310351 
1 1 1   12   50    5 o   13.027   2.4578  187.289   62.291  214.428   74.528  124.396  113.455   14.467   2.7545   11.588   4.0712 2.878538 4.915525 
1 1 1   12   50    6 f   23.780   1.5536  539.493   65.990  512.959   78.298  604.556  122.607   22.871   1.7636   24.689   2.5583 -1.818384 3.107267 
1 1 1   12   50    7 o   34.607   1.1403  1179.56   68.428  1187.22   80.560  1159.74  129.665   34.884   1.1897   34.330   1.9457 0.5538368 2.280607 
1 1 1   12   50    8 o   11.051   2.5873  118.854   61.375  116.445   73.822  124.247  110.449   10.669   3.2620   11.434   4.0169 -0.7645531 5.174576 
1 1 1   12   50    9 o   14.837   2.1600  230.754   60.488  249.838   80.140  205.487   92.210   15.782   2.6159   13.892   3.4380 1.889782 4.320081 
1 1 1   12   50   10 o   27.357   1.4061  718.835   70.056  677.418   84.395  810.619  125.636   26.220   1.6582   28.495   2.2713 -2.275261 2.812209 
1 1 1   12   50   11 o   32.407   1.1601  1023.51   68.071  1001.14   82.173  1072.43  121.519   31.943   1.3252   32.872   1.9044 -0.9290924 2.320106 
1 1 1   12   50   12 o   15.784   2.1875  229.310   62.663  166.177   74.968  375.695  114.156   12.469   3.1083   19.100   3.0789 -6.631619 4.375027 
1 1 1   12   50   13 o   12.550   2.6334  167.190   65.752  155.800   80.110  190.704  115.101   11.987   3.3259   13.113   4.0838 -1.125910 5.266767 
1 1 1   12   50   14 o   7.1299   2.2652 -36.1255   67.630   13.124   86.177 -115.0935  109.123   7.6824   3.2768   6.5775   3.1283 1.104946 4.530349 
1 1 1   12   50   15 o   11.472   2.6349  129.151   67.326   79.904   84.798  213.138  110.739   9.3195   3.4833   13.625   3.9543 -4.305917 5.269713 
1 1 1   12   50   16 o   11.755   2.6301  122.987   70.730   43.621   87.693  270.730  119.648   8.3403   3.4108   15.170   4.0044 -6.829441 5.260122 
1 1 1   12   50   17 o   16.427   2.2365  300.610   68.682  316.549   90.479  278.937  105.506   17.310   2.6927   15.544   3.5716 1.766058 4.472915 
1 1 1   12   51    0 o   13.321   2.3616  202.908   57.932  231.508   66.028  107.253  120.752   15.337   2.2178   11.305   4.1702 4.031283 4.723258 
1 1 1   12   51    1 o   49.160   0.9556  2243.84   81.155  2118.70   93.969  2611.11  160.982   46.648   1.0377   51.672   1.6049 -5.024231 1.911212 
1 1 1   12   51    2 f   20.181   2.0689  460.953   64.358  512.268   75.202  320.522  124.406   22.874   1.6937   17.488   3.7753 5.385935 4.137777 
1 1 1   12   51    3 o   21.890   1.6861  455.925   63.961  435.784   74.417  512.878  125.136   21.080   1.8186   22.700   2.8398 -1.620470 3.372240 
1 1 1   12   51    4 o   31.243   1.1998  942.855   66.975  922.339   79.933  991.198  122.700   30.736   1.3397   31.750   1.9909 -1.013823 2.399666 
1 1 1   12   51    5 o   19.156   1.7379  347.874   60.928  319.031   73.422  411.661  109.187   17.990   2.1024   20.322   2.7679 -2.331373 3.475838 
1 1 1   12   51    6 o   19.825   1.9528  453.270   62.835  560.509   78.456  261.430  104.935   23.898   1.6912   15.751   3.5205 8.147268 3.905640 
1 1 1   12   51    7 o   25.190   1.4636  618.464   66.629  602.910   80.247  652.988  119.554   24.770   1.6689   25.610   2.4048 -0.8398457 2.927202 
1 1 1   12   51    8 o   6.0599   2.0401 -95.1196   62.008 -69.9672   74.455 -152.0582  112.023   5.7090   2.6747   6.4108   3.0814 -0.7018256 4.080288 
1 1 1   12   51    9 o   14.528   2.2802  225.965   61.732  240.509   77.206  200.187  102.789   15.456   2.5733   13.601   3.7651 1.855239 4.560477 
1 1 1   12   51   10 o   12.573   2.4344  134.768   65.249   48.336   80.457  300.826  111.520   8.4522   3.3316   16.695   3.5504 -8.242586 4.868750 
1 1 1   12   51   11 o   10.359   2.5484   50.652   65.178 -18.7680   77.644  216.279  119.932   6.7299   2.9851   13.988   4.1312 -7.258262 5.096799 
1 1 1   12   51   12 o   25.902   1.3882  645.220   65.119  604.995   77.991  737.817  118.329   24.729   1.6247   27.074   2.2515 -2.345024 2.776500 
1 1 1   12   51   13 o   26.468   1.4792  699.855   70.887  691.473   85.859  717.801  125.633   26.387   1.6762   26.550   2.4376 -0.1637707 2.958353 
1 1 1   12   51   14 o   11.011   2.6411  127.292   65.739  118.335   83.100  142.271  107.466   10.538   3.4886   11.484   3.9664 -0.9455509 5.282255 
1 1 1   12   51   15 o   23.891   1.8249  650.283   75.086  797.488   95.378  410.353  121.767   28.228   1.7406   19.554   3.2080 8.674789 3.649813 
1 1 1   12   51   16 o   16.663   2.3953  327.508   72.524  369.758   90.903  253.517  120.295   18.836   2.4862   14.491   4.0951 4.344846 4.790684 
1 1 1   12   52    0 o   47.791   0.9229  2306.51   77.791  2428.61   93.790  2037.34  139.253   49.947   0.9674   45.634   1.5720 4.312439 1.845771 
1 1 1   12   52    1 o   51.372   0.9344  2541.72   85.225  2492.41  101.265  2661.45  157.797   50.586   1.0312   52.157   1.5586 -1.570675 1.868835 
1 1 1   12   52    2 o   45.558   1.0013  2073.11   80.690  2142.29   96.935  1917.00  145.609   46.891   1.0649   44.226   1.6961 2.664459 2.002692 
1 1 1   12   52    3 o   17.257   2.1703  277.924   64.070  247.076   74.398  366.470  126.046   15.790   2.4273   18.725   3.5985 -2.935065 4.340570 
1 1 1   12   52    4 o   7.8178   2.3975   3.9928   60.463   17.604   69.338 -39.2064  123.524   7.2818   3.0113   8.3537   3.7314 -1.071930 4.794914 
1 1 1   12   52    5 o   29.303   1.2721  837.029   64.886  827.190   76.239  862.881  123.585   29.081   1.3505   29.526   2.1562 -0.4450493 2.544278 
1 1 1   12   52    6 o   11.267   2.0278  127.325   62.227  248.564   77.328 -95.4337  104.817   15.765   2.5268   6.7696   3.1722 8.995483 4.055602 
1 1 1   12   52    7 o   20.239   1.6593  407.412   62.876  403.070   78.981  414.925  103.895   20.166   2.0176   20.312   2.6350 -0.1462536 3.318696 
1 1 1   12   52    8 o   15.663   2.3443  281.166   64.915  317.850   77.875  197.630  117.515   17.836   2.2493   13.491   4.1137 4.344546 4.688513 
1 1 1   12   52    9 o   20.166   1.9338  447.406   61.539  479.703   71.855  358.533  119.197   22.038   1.6796   18.294   3.4838 3.744812 3.867596 
1 1 1   12   52   10 o   14.712   2.3257  217.238   62.824  174.520   77.649  298.199  106.898   12.767   3.1520   16.657   3.4206 -3.889487 4.651432 
1 1 1   12   52   11 o   19.929   1.8546  381.769   68.576  331.596   83.459  486.041  120.316   18.115   2.3733   21.743   2.8506 -3.627634 3.709295 
1 1 1   12   52   12 o   11.865   2.2544   80.584   65.669 -47.7530   80.669  332.696  113.065   6.2877   2.8892   17.442   3.4616 -11.15418 4.508852 
1 1 1   12   52   13 o   27.103   1.4556  742.040   72.945  746.773   90.658  733.349  122.843   27.382   1.7056   26.824   2.3592 0.5580463 2.911177 
1 1 1   12   52   14 o   12.915   2.3182  199.705   66.541  280.574   83.863   62.264  109.329   16.443   2.6274   9.3872   3.8202 7.056026 4.636452 
1 1 1   12   52   15 o   21.394   1.9101  488.615   72.987  502.060   88.638  460.301  128.630   22.208   2.0561   20.580   3.2198 1.627708 3.820250 
1 1 1   12   53    0 o   26.307   1.3991  669.044   60.437  658.401   68.815  704.942  126.384   25.956   1.3658   26.658   2.4423 -0.7023048 2.798219 
1 1 1   12   53    1 o   16.652   2.1350  238.553   62.285  177.503   72.412  412.195  122.122   13.067   2.9273   20.237   3.1087 -7.170042 4.270024 
1 1 1   12   53    2 f   14.830   2.3354  226.002   62.288  217.452   75.717  243.900  109.554   14.517   2.7882   15.143   3.7473 -0.6256752 4.670750 
1 1 1   12   53    3 o   12.440   2.6482  146.341   63.404  124.175   74.215  206.236  121.994   10.960   3.2530   13.921   4.1796 -2.960632 5.296303 
1 1 1   12   53    4 o   15.337   2.3009  271.204   62.256  312.052   74.416  175.949  113.639   17.736   2.1614   12.937   4.0625 4.798905 4.601709 
1 1 1   12   53    5 o   23.157   1.7223  602.218   65.604  693.747   78.848  396.300  118.265   26.578   1.5283   19.736   3.0870 6.842506 3.444567 
1 1 1   12   53    6 o   25.050   1.5822  663.680   68.845  724.371   83.331  533.192  122.188   27.133   1.5822   22.968   2.7406 4.164450 3.164470 
1 1 1   12   53    7 o   17.071   2.1373  306.343   65.329  314.047   80.974  291.979  110.570   17.692   2.3578   16.450   3.5655 1.242245 4.274592 
1 1 1   12   53    8 o   34.652   1.0655  1169.95   69.578  1133.48   87.783  1231.59  114.116   33.987   1.3306   35.318   1.6645 -1.331638 2.130944 
1 1 1   12   53    9 o   13.445   2.4050  148.050   62.415   72.199   73.364  346.819  118.761   8.9603   3.2587   17.930   3.5378 -8.969561 4.809959 
1 1 1   12   53   10 o   7.9550   2.3955   18.312   61.798   32.066   73.763 -14.0725  113.185   7.7255   3.1402   8.1845   3.6184 -0.4590292 4.791033 
1 1 1   12   53   11 o   12.958   2.5036  196.912   66.328  235.284   81.576  122.060  113.935   14.839   2.9360   11.078   4.0562 3.760469 5.007266 
1 1 1   12   53   12 o   12.213   2.6796  170.785   70.899  196.071   87.690  123.053  120.479   13.302   3.3871   11.125   4.1532 2.176284 5.359198 
1 1 1   12   53   13 o   7.4383   2.2709 -21.5861   67.579   60.888   84.931 -163.9148  111.571   8.7510   3.4313   6.1257   2.9756 2.625290 4.541818 
1 1 1   12   53   14 o   21.643   2.0488  533.621   75.441  608.208   94.171  399.991  126.048   24.499   1.9801   18.786   3.5874 5.713524 4.097574 
1 1 1   12   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   54    0 o   18.030   1.8644  305.411   58.744  281.605   68.301  373.073  115.149   16.867   2.0860   19.193   3.0907 -2.325443 3.728806 
1 1 1   12   54    1 o   16.540   2.2185  263.611   63.140  239.526   73.736  329.816  122.251   15.491   2.4521   17.588   3.6980 -2.097392 4.437058 
1 1 1   12   54    2 o   41.685   1.0600  1700.06   77.312  1693.37   91.304  1716.99  145.323   41.639   1.1296   41.731   1.7940 -0.9168625E-01 2.119981 
1 1 1   12   54    3 o   15.635   2.2675  210.429   64.497  133.158   76.077  407.890  121.614   11.268   3.2796   20.001   3.1323 -8.732952 4.535084 
1 1 1   12   54    4 o   26.815   1.4064  744.869   66.352  797.529   80.402  632.433  117.485   28.501   1.4533   25.130   2.4084 3.370665 2.812858 
1 1 1   12   54    5 o   10.874   2.6069  110.312   62.638   89.132   76.437  153.613  109.293   9.6287   3.3440   12.119   4.0002 -2.490552 5.213833 
1 1 1   12   54    6 o   9.2084   2.4992   68.166   61.310   83.509   74.071   34.781  109.260   9.3733   3.2897   9.0435   3.7632 0.3297691 4.998443 
1 1 1   12   54    7 o   22.440   1.6888  517.261   67.608  536.589   81.999  476.229  119.475   23.273   1.8150   21.607   2.8485 1.665987 3.377602 
1 1 1   12   54    8 o   6.6880   2.1969 -65.1509   65.062 -66.2582   80.554 -63.0732  110.345   6.0258   2.8097   7.3502   3.3780 -1.324328 4.393742 
1 1 1   12   54    9 o   10.847   2.5002  126.619   64.507  169.352   79.718   45.558  109.793   12.492   3.2548   9.2028   3.7961 3.288686 5.000394 
1 1 1   12   54   10 o   12.291   2.7227  162.349   68.427  156.091   81.977  176.727  124.254   11.939   3.3829   12.644   4.2672 -0.7048607 5.445416 
1 1 1   12   54   11 o   14.420   2.2070  263.709   65.677  378.599   82.509   65.022  108.503   19.336   2.1982   9.5034   3.8277 9.832890 4.413966 
1 1 1   12   54   12 o   11.143   2.5688  140.213   71.089  196.756   86.193   19.937  125.712   13.285   3.3446   9.0012   3.8997 4.283310 5.137502 
1 1 1   12   54   13 o   7.4201   2.3764 -38.1624   69.940 -67.1111   86.467   16.620  118.948   6.1691   2.8878   8.6712   3.7750 -2.502085 4.752853 
1 1 1   12   54   14 o   8.1740   2.5110   17.624   72.860   38.812   89.596 -23.7440  125.192   8.2063   3.4107   8.1416   3.6861 0.6476498E-01 5.022010 
1 1 1   12   55    0 o   17.321   1.9829  323.624   49.138  333.129   54.620  283.273  112.537   18.412   1.5282   16.229   3.6595 2.182726 3.965786 
1 1 1   12   55    1 o   7.2775   2.2015  -5.8883   58.758   43.976   71.727 -107.6120  102.448   8.0648   3.1558   6.4901   3.0705 1.574650 4.403034 
1 1 1   12   55    2 o   19.447   1.7512  363.535   63.745  322.193   78.624  442.843  108.896   17.960   2.2552   20.934   2.6798 -2.973932 3.502498 
1 1 1   12   55    3 o   40.082   1.0618  1589.49   75.620  1603.25   90.575  1557.82  137.384   40.481   1.1526   39.684   1.7834 0.7972107 2.123501 
1 1 1   12   55    4 o   7.4315   2.3084  -6.1590   61.487   18.711   72.524 -69.7310  115.951   7.3654   3.0656   7.4977   3.4520 -0.1322417 4.616737 
1 1 1   12   55    5 o   30.894   1.2693  978.560   67.106  1021.00   79.262  871.140  126.098   32.273   1.2652   29.516   2.2008 2.756769 2.538581 
1 1 1   12   55    6 o   22.052   1.4426  469.180   60.404  414.405   76.345  560.859   98.770   20.419   1.9261   23.686   2.1481 -3.267763 2.885226 
1 1 1   12   55    7 o   26.491   1.4199  677.927   68.880  635.348   83.361  769.565  122.293   25.328   1.6955   27.654   2.2781 -2.325699 2.839792 
1 1 1   12   55    8 o   44.828   1.0593  1963.64   86.377  1925.78  104.773  2043.97  152.611   44.290   1.2187   45.366   1.7330 -1.075947 2.118581 
1 1 1   12   55    9 o   13.332   2.4830  203.153   66.167  238.704   85.837  151.098  103.868   14.876   3.0742   11.787   3.9001 3.088771 4.966033 
1 1 1   12   55   10 o   21.591   1.7274  450.019   68.120  402.333   81.712  558.680  123.346   19.963   2.1086   23.219   2.7366 -3.256269 3.454772 
1 1 1   12   55   11 f   28.307   1.4209  782.553   73.939  730.982   89.820  890.968  130.230   27.057   1.7101   29.558   2.2697 -2.501417 2.841851 
1 1 1   12   55   12 o   10.201   2.6057  109.751   66.559  132.451   80.150   59.313  119.472   10.910   3.4095   9.4927   3.9414 1.416817 5.211465 
1 1 1   12   55   13 o   23.020   1.7793  535.936   76.267  492.782   93.888  619.657  130.772   21.891   2.2094   24.149   2.7897 -2.257572 3.558628 
1 1 1   12   56    0 o   14.208   2.2961  200.213   50.864  193.315   56.125  231.923  120.333   13.929   2.0758   14.487   4.0964 -0.5579958 4.592298 
1 1 1   12   56    1 o   32.139   1.2398  1006.59   68.899  988.655   80.535  1055.54  133.069   31.747   1.3068   32.531   2.1073 -0.7834301 2.479576 
1 1 1   12   56    2 o   15.570   2.4252  250.831   65.985  237.120   78.044  285.204  123.569   15.067   2.7705   16.073   3.9812 -1.005631 4.850331 
1 1 1   12   56    3 o   61.797   0.9363  3778.02  105.882  3842.41  130.325  3652.97  181.605   62.694   1.0709   60.899   1.5362 1.794876 1.872619 
1 1 1   12   56    4 o   15.294   2.2397  251.226   62.958  265.484   78.998  226.407  104.226   16.210   2.5106   14.378   3.7097 1.832014 4.479345 
1 1 1   12   56    5 o   5.7813   1.9924 -131.4761   63.723 -114.4733   75.070 -175.3155  120.542   5.1055   2.4708   6.4572   3.1264 -1.351779 3.984838 
1 1 1   12   56    6 o   18.509   2.2161  385.100   69.262  423.329   83.864  303.078  122.840   20.547   2.1026   16.472   3.9018 4.075703 4.432278 
1 1 1   12   56    7 o   38.019   1.0616  1456.33   75.728  1555.70   97.573  1305.78  120.093   39.781   1.2635   36.257   1.7063 3.523884 2.123209 
1 1 1   12   56    8 o   25.066   1.6296  656.460   72.530  689.695   88.077  586.443  127.841   26.323   1.7237   23.809   2.7660 2.513113 3.259153 
1 1 1   12   56    9 o   15.076   2.5913  235.140   72.645  181.049   88.940  343.554  125.916   12.735   3.4928   17.416   3.8288 -4.680701 5.182615 
1 1 1   12   56   10 o   27.929   1.2955  783.600   69.648  792.150   93.051  772.707  105.025   28.165   1.7020   27.694   1.9536 0.4709053 2.591016 
1 1 1   12   56   11 o   11.591   2.5408  161.298   69.811  214.784   84.039   42.218  125.395   13.885   3.1857   9.2981   3.9590 4.586611 5.081571 
1 1 1   12   56   12 o   11.712   2.5482  164.471   70.172  223.080   88.009   62.183  116.267   14.031   3.2887   9.3938   3.8933 4.636692 5.096342 
1 1 1   12   57    0 o   39.260   0.9691  1519.56   59.714  1523.56   67.098  1504.32  130.937   39.523   0.8746   38.997   1.7297 0.5262260 1.938221 
1 1 1   12   57    1 o   12.331   2.1342  190.000   49.386  224.322   55.824   66.406  105.932   15.023   1.9142   9.6383   3.8152 5.385185 4.268500 
1 1 1   12   57    2 o   11.133   2.6385  129.889   65.421  143.102   78.109   98.837  119.740   11.552   3.3120   10.714   4.1083 0.8379030 5.277064 
1 1 1   12   57    3 o   34.539   1.2722  1204.36   75.366  1228.70   88.563  1140.46  143.503   35.371   1.2899   33.706   2.1933 1.664997 2.544427 
1 1 1   12   57    4 o   26.138   1.5581  715.104   71.191  759.031   85.750  617.663  127.713   27.702   1.5946   24.574   2.6773 3.127714 3.116207 
1 1 1   12   57    5 o   13.481   2.5220  192.348   65.177  164.982   81.494  240.924  108.575   12.290   3.3321   14.672   3.7866 -2.382094 5.043954 
1 1 1   12   57    6 o   36.191   1.1950  1273.66   77.995  1227.57   93.557  1378.67  141.225   35.288   1.3658   37.095   1.9613 -1.806229 2.389957 
1 1 1   12   57    7 o   12.469   2.6506  177.703   67.560  192.041   80.330  143.050  124.885   13.250   3.1664   11.689   4.2516 1.560843 5.301184 
1 1 1   12   57    8 o   31.377   1.2994  992.284   75.032  1006.92   92.947  964.907  127.129   31.872   1.5023   30.882   2.1206 0.9895897 2.598867 
1 1 1   12   57    9 o   31.287   1.3755  979.978   78.182  967.502   94.975  1006.20  137.700   31.183   1.5690   31.391   2.2598 -0.2072639 2.751068 
1 1 1   12   57   10 o   24.553   1.6422  611.530   75.493  586.727   94.301  655.793  125.976   24.040   2.0207   25.065   2.5891 -1.024572 3.284362 
1 1 1   12   57   11 o   13.053   2.5150  216.001   71.972  282.510   88.690   87.739  123.164   16.043   2.9567   10.063   4.0693 5.980775 5.030028 
1 1 1   12   58    0 o   27.095   1.3967  709.753   55.361  697.748   60.660  769.601  135.439   26.677   1.1714   27.512   2.5360 -0.8350792 2.793483 
1 1 1   12   58    1 o   6.3053   2.1410 -79.2976   53.294 -83.5729   58.628 -58.9569  127.880   4.6071   2.2181   8.0035   3.6628 -3.396432 4.282073 
1 1 1   12   58    2 o   13.854   2.1741  148.733   64.767   24.170   78.419  416.025  114.874   7.6761   3.1907   20.032   2.9541 -12.35612 4.348255 
1 1 1   12   58    3 o   20.883   1.8199  465.390   67.768  505.068   83.540  389.032  115.890   22.480   1.9144   19.286   3.0956 3.194719 3.639752 
1 1 1   12   58    4 o   11.756   2.6977  103.610   70.347   34.786   83.243  275.567  131.580   8.0857   3.3168   15.427   4.2556 -7.340984 5.395473 
1 1 1   12   58    5 o   20.754   1.9256  438.128   71.513  426.688   85.612  464.538  130.079   20.554   2.1457   20.954   3.1980 -0.3992653 3.851151 
1 1 1   12   58    6 o   31.243   1.2981  970.702   74.390  957.967   91.164  996.079  128.691   31.091   1.5105   31.396   2.1116 -0.3049030 2.596259 
1 1 1   12   58    7 o   12.948   2.6241  165.612   63.263  131.615   73.584  261.948  123.868   10.950   3.2365   14.945   4.1315 -3.994896 5.248250 
1 1 1   12   58    8 o   8.0474   2.4760  -2.6947   69.276 -33.4277   85.541   55.878  118.093   6.6714   3.0309   9.4233   3.9161 -2.751947 4.952003 
1 1 1   12   58    9 f   19.202   1.9633  381.635   71.604  351.748   90.963  430.324  116.102   18.356   2.5528   20.047   2.9835 -1.691065 3.926540 
1 1 1   12   58   10 o   9.8592   2.6873   94.828   72.625  117.174   87.945   46.916  128.775   10.344   3.5872   9.3744   4.0023 0.9695425 5.374590 
1 1 1   12   59    0 o   27.146   1.2515  683.890   54.727  647.101   61.347  827.285  121.116   25.659   1.2317   28.632   2.1791 -2.973875 2.503095 
1 1 1   12   59    1 o   41.490   1.0241  1720.13   65.416  1733.28   73.153  1667.64  146.149   42.116   0.8948   40.865   1.8424 1.250549 2.048175 
1 1 1   12   59    2 o   16.049   2.5121  315.654   71.256  358.268   83.561  202.064  136.424   18.788   2.2912   13.309   4.4714 5.478585 5.024187 
1 1 1   12   59    3 o   12.779   2.7299  154.883   69.972  103.458   83.131  279.857  129.595   10.050   3.4875   15.508   4.2009 -5.457794 5.459881 
1 1 1   12   59    4 o   15.241   2.3533  268.562   67.380  314.539   85.323  192.378  109.832   17.497   2.5122   12.986   3.9802 4.510583 4.706696 
1 1 1   12   59    5 o   26.063   1.5680  695.177   73.090  702.938   88.226  678.196  130.499   26.536   1.7127   25.590   2.6271 0.9461670 3.136062 
1 1 1   12   59    6 o   20.981   1.8057  424.448   67.786  379.179   79.864  541.093  128.198   19.320   2.1295   22.642   2.9168 -3.321526 3.611463 
1 1 1   12   59    7 o   10.934   2.6978  122.854   68.656   95.126   86.212  170.930  113.517   9.7059   3.5322   12.163   4.0788 -2.457170 5.395608 
1 1 1   12   59    8 o   9.9897   2.6575  101.237   68.012  113.752   80.944   71.184  125.431   10.198   3.4441   9.7816   4.0480 0.4160614 5.314928 
1 1 1   12   60    0 o   12.864   2.5425  176.309   54.498  173.885   59.610  188.654  134.510   12.838   2.4818   12.890   4.4383 -0.5163765E-01 5.085020 
1 1 1   12   60    1 o   19.239   1.9973  398.581   53.115  403.375   58.463  375.911  127.120   20.177   1.4927   18.301   3.7053 1.875364 3.994662 
1 1 1   12   60    2 o   24.578   1.3594  583.472   54.614  563.884   61.881  652.484  116.151   23.900   1.3338   25.256   2.3692 -1.355854 2.718836 
1 1 1   12   60    3 o   7.5584   2.3838 -15.0837   70.349   22.684   83.899 -104.5139  129.104   7.7518   3.2665   7.3650   3.4728 0.3868876 4.767642 
1 1 1   12   60    4 o   9.6325   2.6979   64.430   70.189   36.789   84.146  127.641  127.251   8.0776   3.3266   11.187   4.2482 -3.109892 5.395710 
1 1 1   12   60    5 o   9.8749   2.5773   97.299   67.422  129.258   84.564   41.539  111.701   10.805   3.5164   8.9445   3.7690 1.860818 5.154651 
1 1 1   12   60    6 o   8.7731   2.4716   55.940   67.695  103.153   80.455 -58.5056  125.264   9.8489   3.4302   7.6972   3.5595 2.151772 4.943291 
1 1 1   12   60    7 o   15.497   2.5094  279.239   71.287  290.517   86.214  254.858  126.757   16.590   2.6771   14.404   4.2451 2.185473 5.018804 
1 1 1   12   61    0 o   12.862   2.4121  152.594   52.445  124.131   58.809  263.164  115.910   10.689   2.8006   15.035   3.9281 -4.346356 4.824264 
1 1 1   12   61    1 o   23.293   1.7184  586.825   55.838  601.308   61.269  515.823  135.657   24.678   1.2790   21.908   3.1899 2.770350 3.436707 
1 1 1   12   61    2 o   10.136   2.4030  117.490   54.682  139.480   60.077   11.297  132.023   11.320   2.7591   8.9527   3.9351 2.367380 4.805979 
1 1 1   12   61    3 o   9.2147   2.2586   49.823   66.025  173.520   85.300 -135.0445  104.280   12.349   3.4338   6.0799   2.9350 6.269604 4.517227 
1 1 1   12   61    4 o   8.7440   2.5444   49.521   70.854   83.238   86.758 -18.0079  122.779   9.3141   3.5148   8.1739   3.6801 1.140227 5.088888 
1 1 1   12   61    5 o   15.195   2.6091  259.455   72.566  238.573   88.199  303.210  127.670   14.568   3.2058   15.821   4.1173 -1.253012 5.218163 
1 1 1   12   62    0 o   6.8933   2.2723 -30.2652   53.708 -29.5175   58.427 -34.3413  136.416   5.4421   2.4850   8.3444   3.8051 -2.902328 4.544638 
1 1 1   12   62    1 o   25.265   1.3894  665.588   55.497  679.875   62.980  615.954  117.389   26.226   1.2371   24.304   2.4882 1.922710 2.778778 
1 1 1   12   62    2 o   10.290   2.4287  121.337   54.986  138.004   61.674   56.751  121.407   11.182   2.8368   9.3972   3.9429 1.785173 4.857362 
1 1 1   13    0    0 o  128.498   1.3854 16038.49  345.380 16260.95  491.303 15821.15  485.627  129.379   1.9572  127.616   1.9614 -0.000000 0.000000 
1 1 1   13    0    1 o   13.088   2.3480  207.515   51.492  260.700   69.210  141.577   77.062   15.864   2.4130   10.313   4.0287 -0.000000 0.000000 
1 1 1   13    0    2 o   26.413   1.0679  684.377   54.280  696.410   75.387  671.422   78.218   26.664   1.4666   26.162   1.5527 -0.000000 0.000000 
1 1 1   13    0    3 o   95.315   1.0740  8832.81  198.025  8921.60  270.762  8730.70  290.364   95.835   1.4562   94.796   1.5789 -0.000000 0.000000 
1 1 1   13    0    4 o   44.986   0.8467  1958.13   73.610  1831.14   99.585  2111.08  109.290   43.385   1.1845   46.588   1.2103 -0.000000 0.000000 
1 1 1   13    0    5 o  260.958   1.8865 65975.06  930.548 65369.62  1185.66 66946.16  1501.61  259.429   2.3548  262.487   2.9479 -0.000000 0.000000 
1 1 1   13    0    6 o  138.570   1.3918 18665.30  371.571 18739.09  497.418 18572.16  558.900  138.889   1.8457  138.252   2.0836 -0.000000 0.000000 
1 1 1   13    0    7 f  129.238   1.3289 16239.58  331.317 16335.71  446.042 16121.26  494.855  129.673   1.7727  128.804   1.9802 -0.000000 0.000000 
1 1 1   13    0    8 o  110.785   1.3359 11947.59  286.428 12270.94  395.108 11589.44  415.828  112.374   1.8123  109.196   1.9632 -0.000000 0.000000 
1 1 1   13    0    9 o   87.914   1.1042  7512.71  188.252  7593.84  263.991  7428.77  268.524   88.399   1.5395   87.429   1.5834 -0.000000 0.000000 
1 1 1   13    0   10 o   32.011   1.0757  1014.87   62.563  1042.45   77.121  961.770  106.995   32.701   1.2188   31.321   1.7728 -0.000000 0.000000 
1 1 1   13    0   11 o   93.161   1.1249  8435.00  202.599  8429.07  275.307  8442.00  299.220   93.131   1.5238   93.192   1.6552 -0.000000 0.000000 
1 1 1   13    0   12 o   77.209   1.0738  5803.78  160.259  5903.27  218.974  5689.02  235.173   77.929   1.4487   76.489   1.5854 -0.000000 0.000000 
1 1 1   13    0   13 o   84.189   1.0926  6872.52  177.939  6665.77  241.427  7118.40  263.279   82.808   1.5030   85.569   1.5862 -0.000000 0.000000 
1 1 1   13    0   14 o   36.970   1.0630  1297.51   73.315  1204.85   90.922  1469.75  123.963   35.148   1.3370   38.793   1.6530 -0.000000 0.000000 
1 1 1   13    0   15 o  109.506   1.4020 11666.98  297.743 11809.91  418.290 11520.19  423.910  110.189   1.9570  108.822   2.0083 -0.000000 0.000000 
1 1 1   13    0   16 f   29.565   1.4367  872.856   78.013  903.524   98.293  820.656  128.238   30.357   1.6798   28.772   2.3313 -0.000000 0.000000 
1 1 1   13    0   17 o   46.046   1.1299  2046.65   99.038  1959.70  127.680  2177.98  156.921   44.843   1.4704   47.250   1.7160 -0.000000 0.000000 
1 1 1   13    0   18 o  135.670   1.7051 17913.70  448.481 17463.15  621.477 18403.29  647.841  133.894   2.3928  137.447   2.4298 -0.000000 0.000000 
1 1 1   13    0   19 o   76.368   1.1529  5645.12  169.391  5439.27  224.101  5919.49  258.722   74.762   1.5457   77.975   1.7111 -0.000000 0.000000 
1 1 1   13    0   20 o   5.5643   2.6699 -61.5028   85.557 -46.8231  111.013 -82.9776  134.270   5.4510   3.6683   5.6777   3.8803 -0.000000 0.000000 
1 1 1   13    0   21 o   51.464   1.1630  2618.09  113.261  2766.88  147.954  2407.46  176.029   53.291   1.4326   49.637   1.8326 -0.000000 0.000000 
1 1 1   13    0   22 f   71.735   1.1885  5032.85  164.803  5352.65  229.828  4694.36  236.446   74.108   1.5993   69.363   1.7586 -0.000000 0.000000 
1 1 1   13    0   23 o   12.237   4.8675  205.376  111.703  205.376  111.703   0.0000   0.0000   12.237   4.8675   12.237   4.8675 -0.000000 0.000000 
1 1 1   13    0   24 o   30.640   1.5537  872.500   87.942  716.362  108.061  1178.72  151.332   26.817   2.1057   34.463   2.2852 -0.000000 0.000000 
1 1 1   13    0   25 o   4.5803   2.3044 -167.0623   88.854 -143.3327  120.157 -195.6965  131.992   4.6141   3.2650   4.5465   3.2528 -0.000000 0.000000 
1 1 1   13    0   26 o   7.9395   4.8393   68.756  140.532   0.0000   0.0000   68.756  140.532   7.9395   4.8393   7.9395   4.8393 -0.000000 0.000000 
1 1 1   13    0   27 o   26.669   2.0702  723.524  102.401  601.726  135.191  887.460  156.843   23.937   3.0436   29.400   2.8070 -0.000000 0.000000 
1 1 1   13    0   28 o   14.605   5.2599  298.130  136.569  298.130  136.569   0.0000   0.0000   14.605   5.2599   14.605   5.2599 -0.000000 0.000000 
1 1 1   13    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    1    0 o  208.305   1.2907 42124.23  521.874 41740.15  732.703 42519.71  743.499  207.342   1.8204  209.269   1.8303 -1.926880 2.581434 
1 1 1   13    1    1 o   90.436   0.8966  7956.99  151.621  8004.88  190.665  7874.63  250.068   90.810   1.0816   90.063   1.4304 0.7461853 1.793271 
1 1 1   13    1    2 o  152.431   1.1039 22558.67  326.633 22457.86  461.801 22659.59  462.058  152.090   1.5642  152.772   1.5581 -0.6817474 2.207775 
1 1 1   13    1    3 o   77.419   0.6787  5811.50  101.859  5696.54  139.920  5941.11  148.569   76.606   0.9409   78.233   0.9783 -1.626816 1.357355 
1 1 1   13    1    4 o  279.514   1.3346 75864.22  724.109 76569.94  1028.24 75169.91  1019.90  280.804   1.8864  278.224   1.8884 2.579132 2.669178 
1 1 1   13    1    5 o   83.748   0.7187  6807.88  116.840  6905.37  166.120  6712.45  164.366   84.341   1.0147   83.155   1.0183 1.186546 1.437494 
1 1 1   13    1    6 o  266.185   1.3192 68818.11  681.641 68668.85  961.299 68969.05  966.697  265.895   1.8624  266.475   1.8688 -0.5798950 2.638411 
1 1 1   13    1    7 o  119.210   0.9073 13785.35  209.654 14031.97  305.784 13566.58  288.005  120.214   1.3104  118.205   1.2552 2.008354 1.814525 
1 1 1   13    1    8 o  117.410   0.8915 13384.65  203.179 13377.45  288.312 13391.76  286.376  117.378   1.2653  117.441   1.2562 -0.6307983E-01 1.783001 
1 1 1   13    1    9 o  187.395   1.1512 34107.38  418.756 34188.41  592.430 34026.48  591.990  187.617   1.6267  187.172   1.6293 0.4450378 2.302334 
1 1 1   13    1   10 o   89.357   0.9667  7713.56  157.419  7873.52  276.330  7636.71  191.538   90.030   1.5812   88.684   1.1126 1.345581 1.933386 
1 1 1   13    1   11 o   47.041   0.6659  2148.08   60.782  2133.26   84.538  2163.94   87.454   46.873   0.9291   47.209   0.9543 -0.3354492 1.331887 
1 1 1   13    1   12 o  125.953   0.9744 15414.95  238.074 15287.71  342.314 15534.14  331.329  125.447   1.4057  126.459   1.3497 -1.011421 1.948798 
1 1 1   13    1   13 o  127.451   1.0036 15793.80  248.021 15478.18  357.160 16087.75  344.683  126.217   1.4577  128.685   1.3798 -2.468307 2.007226 
1 1 1   13    1   14 o  141.609   1.0962 19486.08  301.267 19269.14  420.634 19714.58  431.693  140.802   1.5390  142.417   1.5615 -1.615189 2.192443 
1 1 1   13    1   15 o   63.064   0.7152  3862.62   87.559  3866.43  124.129  3858.84  123.527   63.095   1.0135   63.034   1.0095 0.6175232E-01 1.430486 
1 1 1   13    1   16 o  143.581   1.2620 20051.22  351.716 19827.29  493.935 20281.55  500.943  142.768   1.7823  144.394   1.7872 -1.625351 2.523999 
1 1 1   13    1   17 o   92.304   0.8900  8275.31  159.430  8482.96  228.748  8079.16  222.324   93.429   1.2613   91.179   1.2561 2.250298 1.780066 
1 1 1   13    1   18 o   78.544   0.8130  5994.85  123.953  5964.58  174.754  6025.50  175.844   78.344   1.1491   78.743   1.1504 -0.3989639 1.625990 
1 1 1   13    1   19 o  111.980   1.0301 12199.38  223.914 12289.94  318.162 12110.52  315.183  112.392   1.4583  111.569   1.4553 0.8228836 2.060234 
1 1 1   13    1   20 o   22.263   1.4141  484.396   60.981  504.227   84.702  463.056   87.866   22.741   1.9187   21.784   2.0778 0.9566841 2.828234 
1 1 1   13    1   21 o   52.028   0.7964  2632.41   80.431  2609.73  113.064  2655.65  114.440   51.802   1.1244   52.255   1.1282 -0.4534492 1.592822 
1 1 1   13    1   22 o   72.537   0.9814  5098.15  132.100  5230.26  223.573  5027.29  163.738   73.211   1.5732   71.862   1.1738 1.349243 1.962813 
1 1 1   13    1   23 o   38.879   0.9601  1474.25   72.418  1494.19  104.479  1455.81  100.468   39.129   1.3755   38.629   1.3398 0.5004120 1.920202 
1 1 1   13    1   24 o   38.467   1.1018  1442.02   78.404  1426.13   96.912  1472.13  133.391   38.212   1.3065   38.722   1.7746 -0.5094109 2.203683 
1 1 1   13    1   25 o   11.158   2.7569   69.229   69.267   15.143   79.662  236.861  140.245   7.6037   3.1923   14.713   4.4956 -7.109374 5.513794 
1 1 1   13    1   26 o   9.1035   2.4833   62.951   62.579   44.507   89.705   80.436   87.341   8.6441   3.4808   9.5629   3.5428 -0.9188442 4.966631 
1 1 1   13    1   27 o   20.798   1.7493  459.350   67.246  332.994  100.665  561.177   90.367   17.921   2.8937   23.675   1.9663 -5.754271 3.498576 
1 1 1   13    1   28 o   39.223   1.3827  1553.78  104.521  1514.65  156.191  1585.52  140.658   38.680   2.0802   39.766   1.8222 -1.085812 2.765383 
1 1 1   13    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    2    0 o   43.149   0.7968  1805.90   66.702  1723.26   92.998  1893.44   95.722   42.134   1.1370   44.165   1.1165 -2.031567 1.593578 
1 1 1   13    2    1 o  253.385   1.4480 62340.61  712.190 61761.67  1002.40 62930.76  1012.05  252.197   2.0475  254.573   2.0480 -2.375702 2.895972 
1 1 1   13    2    2 o   98.266   0.8001  9373.87  152.610  9421.16  215.589  9326.37  216.059   98.515   1.1274   98.018   1.1355 0.4969559 1.600119 
1 1 1   13    2    3 o   44.262   0.5883  1900.30   50.504  1868.76   69.811  1934.93   73.154   43.877   0.8196   44.647   0.8441 -0.7698593 1.176538 
1 1 1   13    2    4 o  116.884   0.9690 13297.72  214.463 13420.97  275.245 13107.26  342.148  117.579   1.2059  116.190   1.5170 1.389259 1.937918 
1 1 1   13    2    5 o  226.549   1.2291 49830.25  540.462 49303.57  756.513 50379.25  772.391  225.327   1.7296  227.771   1.7469 -2.443649 2.458282 
1 1 1   13    2    6 o   56.423   0.6078  3090.44   66.574  3112.19   94.128  3068.67   94.171   56.622   0.8564   56.224   0.8628 0.3973160 1.215683 
1 1 1   13    2    7 o   88.765   0.7359  7646.44  126.764  7774.67  181.875  7525.30  176.776   89.489   1.0470   88.042   1.0344 1.446564 1.471757 
1 1 1   13    2    8 o  121.424   0.9749 14318.25  229.484 14281.98  333.152 14350.99  316.563  121.276   1.4152  121.571   1.3414 -0.2955399 1.949887 
1 1 1   13    2    9 o   88.931   0.7756  7678.45  133.882  7666.51  188.311  7690.67  190.382   88.862   1.0917   89.001   1.1020 -0.1396408 1.551159 
1 1 1   13    2   10 o  147.192   1.0096 21042.72  288.471 21072.59  407.775 21012.78  408.144  147.297   1.4261  147.087   1.4295 0.2094269 2.019221 
1 1 1   13    2   11 o   21.019   1.1464  431.032   46.586  397.491   67.075  462.290   64.751   20.225   1.7085   21.814   1.5292 -1.588930 2.292868 
1 1 1   13    2   12 o   89.536   0.7889  7785.31  137.086  7779.91  195.829  7790.51  191.967   89.505   1.1271   89.567   1.1041 -0.6197357E-01 1.577800 
1 1 1   13    2   13 o  150.465   1.0954 21999.70  319.700 21998.68  461.143 22000.64  443.614  150.458   1.5789  150.472   1.5187 -0.1354980E-01 2.190780 
1 1 1   13    2   14 o   71.384   0.7306  4948.43  101.227  4978.90  144.429  4919.00  141.916   71.599   1.0392   71.168   1.0273 0.4315186 1.461202 
1 1 1   13    2   15 o  154.644   1.3497 23264.67  405.174 23236.32  572.493 23293.13  573.515  154.550   1.9083  154.739   1.9093 -0.1886139 2.699437 
1 1 1   13    2   16 o  112.001   1.0161 12192.60  220.906 12113.18  311.632 12272.81  313.192  111.634   1.4381  112.368   1.4358 -0.7334137 2.032156 
1 1 1   13    2   17 o   81.918   0.8261  6520.61  131.343  6499.30  187.150  6541.30  184.376   81.785   1.1788   82.051   1.1576 -0.2654266 1.652166 
1 1 1   13    2   18 f   73.436   0.9521  5169.70  128.014  5028.86  155.862  5461.66  224.406   71.939   1.1161   74.932   1.5428 -2.992485 1.904169 
1 1 1   13    2   19 o   77.501   0.8172  5837.96  122.934  5903.31  174.960  5774.22  172.770   77.929   1.1566   77.073   1.1548 0.8565750 1.634377 
1 1 1   13    2   20 o   47.725   0.8126  2214.70   75.272  2257.85  106.260  2171.23  106.643   48.193   1.1358   47.258   1.1625 0.9353256 1.625290 
1 1 1   13    2   21 o   26.151   1.4817  657.010   73.454  720.161  119.510  618.670   93.119   27.128   2.2695   25.174   1.9055 1.953630 2.963392 
1 1 1   13    2   22 o   46.440   0.8366  2100.27   75.240  2108.51  103.034  2090.86  110.130   46.543   1.1404   46.338   1.2244 0.2051544 1.673195 
1 1 1   13    2   23 o   70.058   0.8321  4783.89  113.128  4929.72  160.037  4638.23  159.937   71.129   1.1591   68.986   1.1943 2.143250 1.664280 
1 1 1   13    2   24 f   13.101   2.9759  146.590   76.058  113.790   86.944  253.521  156.986   10.772   3.5685   15.430   4.7634 -4.658231 5.951775 
1 1 1   13    2   25 o   16.096   2.3368  279.778   68.825  303.760   86.282  237.825  114.120   17.393   2.5555   14.798   3.9130 2.595815 4.673532 
1 1 1   13    2   26 o   13.481   2.2953  194.471   60.689  134.055   84.305  259.455   87.434   11.270   3.4926   15.693   2.9792 -4.422919 4.590632 
1 1 1   13    2   27 o   6.7837   2.1828 -48.6111   64.358  -7.1205   89.625 -92.7828   92.475   7.4044   3.2487   6.1630   2.9162 1.241457 4.365527 
1 1 1   13    2   28 o   16.335   2.9834  314.146   95.304  345.141  138.973  286.628  130.946   17.111   4.2122   15.559   4.2261 1.552547 5.966792 
1 1 1   13    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    3    0 o  194.137   1.2619 36592.57  475.552 36513.75  670.857 36672.19  674.220  193.927   1.7821  194.348   1.7871 -0.4201050 2.523814 
1 1 1   13    3    1 o   75.163   0.6730  5483.51   98.194  5531.57  139.513  5436.33  138.229   75.489   0.9521   74.836   0.9515 0.6527176 1.346041 
1 1 1   13    3    2 o   75.693   0.6736  5554.77   98.877  5421.96  136.191  5702.80  143.785   74.737   0.9387   76.648   0.9664 -1.910858 1.347266 
1 1 1   13    3    3 o  279.276   1.4296 75636.35  766.972 75019.78  1012.21 76467.60  1175.29  277.951   1.8760  280.600   2.1577 -2.648132 2.859224 
1 1 1   13    3    4 o   36.891   0.7488  1282.56   50.984  1443.83   89.057  1203.93   62.183   38.565   1.1896   35.217   0.9096 3.347862 1.497517 
1 1 1   13    3    5 o  194.749   1.1650 36828.90  440.415 36959.16  622.291 36698.18  623.391  195.094   1.6432  194.404   1.6519 0.6904907 2.329996 
1 1 1   13    3    6 o   74.342   0.6670  5365.00   96.257  5320.88  135.649  5409.76  136.613   74.034   0.9439   74.650   0.9427 -0.6157837 1.334047 
1 1 1   13    3    7 f  100.013   0.7980  9706.23  154.882  9505.76  215.845  9919.02  222.373   98.949   1.1237  101.077   1.1334 -2.127747 1.596021 
1 1 1   13    3    8 o   87.025   0.7476  7346.32  126.192  7202.05  174.460  7504.63  182.753   86.130   1.0435   87.920   1.0708 -1.790054 1.495140 
1 1 1   13    3    9 o  150.105   1.0213 21880.81  297.581 21957.98  421.164 21803.87  420.524  150.369   1.4429  149.841   1.4458 0.5287628 2.042568 
1 1 1   13    3   10 o  166.789   1.2276 27039.51  395.897 26900.41  585.779 27156.48  537.144  166.387   1.8136  167.192   1.6550 -0.8057556 2.455291 
1 1 1   13    3   11 o  110.444   0.9074 11846.03  194.503 11790.55  272.080 11904.01  278.157  110.180   1.2721  110.708   1.2943 -0.5275345 1.814825 
1 1 1   13    3   12 o   79.904   0.7231  6193.12  112.094  5956.79  155.683  6447.54  161.529   78.322   1.0240   81.485   1.0212 -3.162529 1.446157 
1 1 1   13    3   13 o  120.388   0.9775 14081.38  228.414 13981.21  324.873 14179.31  321.210  119.963   1.3951  120.812   1.3697 -0.8489456 1.955055 
1 1 1   13    3   14 o   77.737   0.7398  5863.89  111.574  6017.63  161.164  5722.39  154.618   78.714   1.0548   76.759   1.0377 1.954369 1.479625 
1 1 1   13    3   15 o  140.901   1.2386 19306.07  338.779 19209.83  477.442 19403.67  480.788  140.548   1.7500  141.255   1.7534 -0.7067719 2.477270 
1 1 1   13    3   16 o  173.012   1.5052 29144.14  505.502 29301.38  718.160 28989.74  711.660  173.473   2.1327  172.551   2.1247 0.9229126 3.010396 
1 1 1   13    3   17 o   23.246   1.2479  527.290   56.132  500.275   81.292  551.908   77.602   22.672   1.8471   23.819   1.6784 -1.146946 2.495721 
1 1 1   13    3   18 o   48.659   0.7716  2302.30   72.792  2339.06  100.951  2262.49  105.060   49.066   1.0599   48.253   1.1216 0.8127785 1.543190 
1 1 1   13    3   19 o   36.866   0.9388  1321.83   67.181  1328.23   94.751  1315.35   95.268   36.957   1.3208   36.776   1.3345 0.1804390 1.877573 
1 1 1   13    3   20 o   47.881   0.8028  2229.36   74.544  2357.08  105.908  2103.95  104.941   49.242   1.1080   46.520   1.1621 2.722652 1.605635 
1 1 1   13    3   21 o   29.512   1.1498  849.302   65.832  881.081   93.008  817.396   93.193   30.067   1.5935   28.956   1.6580 1.111923 2.299625 
1 1 1   13    3   22 o   62.211   0.7875  3764.37   94.987  3722.15  130.816  3811.46  138.148   61.846   1.0896   62.577   1.1373 -0.7303581 1.575030 
1 1 1   13    3   23 o   61.906   1.0668  3765.31  115.026  3792.46  135.795  3696.35  216.420   62.394   1.1212   61.417   1.8153 0.9776459 2.133608 
1 1 1   13    3   24 f   47.517   0.8547  2203.16   78.816  2193.30  110.052  2213.54  112.929   47.411   1.1958   47.623   1.2216 -0.2127609 1.709433 
1 1 1   13    3   25 o   23.491   1.4002  548.201   63.578  491.294   89.927  605.073   89.900   22.243   2.0827   24.739   1.8721 -2.495287 2.800377 
1 1 1   13    3   26 o   23.055   1.7237  552.762   73.374  605.806   93.626  468.322  118.128   24.686   1.9538   21.424   2.8404 3.261501 3.447474 
1 1 1   13    3   27 o   25.712   1.3933  662.833   69.457  682.458   96.900  642.094   99.611   26.128   1.9105   25.297   2.0285 0.8313065 2.786586 
1 1 1   13    3   28 o   10.402   2.9410   76.957   92.039  154.179  137.980   15.054  123.539   11.963   4.4488   8.8408   3.8480 3.121741 5.882047 
1 1 1   13    4    0 o  301.412   1.5696 88216.03  918.310 87620.66  1289.58 88828.52  1307.99  300.381   2.2116  302.443   2.2279 -2.062103 3.139236 
1 1 1   13    4    1 o   67.365   0.7511  4429.20   94.815  4311.70  154.885  4499.62  119.907   66.645   1.1972   68.085   0.9073 -1.439301 1.502153 
1 1 1   13    4    2 o   72.188   0.6559  5060.66   91.850  5130.43  128.168  4987.00  131.694   72.700   0.9082   71.677   0.9465 1.023819 1.311751 
1 1 1   13    4    3 o  161.493   1.1041 25330.71  344.655 25426.40  466.829 25216.07  510.990  161.831   1.4860  161.155   1.6334 0.6757050 2.208273 
1 1 1   13    4    4 o  220.892   1.2854 47381.98  547.263 47389.45  731.709 47372.49  824.458  220.918   1.7062  220.866   1.9230 0.5221558E-01 2.570825 
1 1 1   13    4    5 o  245.119   1.2714 58346.95  604.940 58958.45  858.016 57742.52  853.036  246.397   1.7939  243.842   1.8022 2.554642 2.542797 
1 1 1   13    4    6 f  156.530   1.0601 23802.61  321.292 23939.97  439.744 23645.33  470.571  157.018   1.4427  156.043   1.5535 0.9747467 2.120119 
1 1 1   13    4    7 o  108.371   0.8337 11399.50  175.356 11256.99  245.047 11549.06  251.042  107.677   1.1724  109.064   1.1858 -1.387527 1.667476 
1 1 1   13    4    8 o   25.682   0.8792  643.138   43.605  675.289   59.707  606.390   63.833   26.373   1.1663   24.990   1.3159 1.382681 1.758314 
1 1 1   13    4    9 o  193.087   1.2821 36220.96  480.525 36511.08  676.792 35926.02  682.372  193.868   1.7984  192.306   1.8279 1.562317 2.564291 
1 1 1   13    4   10 o  146.682   1.0606 20912.72  301.449 21140.65  415.334 20658.98  438.211  147.531   1.4503  145.833   1.5480 1.697800 2.121203 
1 1 1   13    4   11 o  103.249   0.8546 10356.29  171.160 10260.23  245.944 10446.51  238.347  102.783   1.2327  103.715   1.1839 -0.9313812 1.709102 
1 1 1   13    4   12 o  147.249   1.0443 21065.43  298.499 21011.94  421.392 21119.30  422.894  147.061   1.4761  147.436   1.4776 -0.3750916 2.088610 
1 1 1   13    4   13 o   35.199   0.7607  1202.74   51.957  1219.37   74.675  1187.15   72.337   35.434   1.0856   34.963   1.0658 0.4709511 1.521370 
1 1 1   13    4   14 o   61.673   0.7030  3694.30   84.155  3650.97  119.341  3737.16  118.687   61.313   1.0027   62.033   0.9856 -0.7201347 1.406006 
1 1 1   13    4   15 o   59.067   0.7110  3388.41   81.520  3405.78  115.510  3371.17  115.065   59.218   1.0049   58.916   1.0061 0.3016396 1.421969 
1 1 1   13    4   16 o  112.457   1.0224 12292.80  223.184 12250.82  315.824 12334.68  315.435  112.265   1.4492  112.649   1.4425 -0.3843536 2.044770 
1 1 1   13    4   17 o  104.255   0.9654 10563.47  195.359 10387.35  274.238 10744.93  278.366  103.373   1.3666  105.137   1.3639 -1.764526 1.930816 
1 1 1   13    4   18 o   12.169   2.1811  144.964   53.065   91.375   71.033  212.634   79.823   9.8515   3.2236   14.487   2.9390 -4.635227 4.362282 
1 1 1   13    4   19 o   64.004   0.7879  3980.32   97.869  3865.23  137.157  4099.71  139.694   63.061   1.1204   64.947   1.1080 -1.885662 1.575801 
1 1 1   13    4   20 o   12.617   2.2691  160.712   58.043  229.683   83.177   95.248   81.034   15.047   2.9531   10.186   3.4460 4.861169 4.538208 
1 1 1   13    4   21 o   33.530   1.0286  1097.50   66.784  1143.07   92.546  1047.98   96.470   34.263   1.3914   32.797   1.5153 1.465729 2.057217 
1 1 1   13    4   22 o   37.663   1.2420  1419.07   81.701  1464.87   97.284  1309.45  150.498   38.777   1.2924   36.549   2.1213 2.228920 2.483968 
1 1 1   13    4   23 o   34.590   1.0262  1165.67   68.682  1135.29   92.975  1202.16  101.899   34.102   1.4045   35.078   1.4965 -0.9762611 2.052341 
1 1 1   13    4   24 o   52.526   0.7943  2691.84   80.952  2768.52  113.967  2613.76  115.007   53.286   1.1018   51.766   1.1445 1.520111 1.588659 
1 1 1   13    4   25 o   29.571   1.1309  858.130   64.782  784.370   89.355  939.855   94.056   28.227   1.6308   30.915   1.5673 -2.687902 2.261827 
1 1 1   13    4   26 o   32.661   1.1221  1050.20   70.932  942.829   98.245  1167.12  102.516   30.904   1.6377   34.419   1.5344 -3.515303 2.244181 
1 1 1   13    4   27 o   12.615   2.5655  181.597   71.886  250.268   93.868   84.209  111.786   15.151   3.2862   10.078   3.9407 5.073267 5.131085 
1 1 1   13    4   28 o   16.325   2.6131  327.475   85.664  164.847  134.416  438.705  111.164   12.183   4.4140   20.467   2.7980 -8.283725 5.226115 
1 1 1   13    5    0 o  267.434   1.4952 69444.61  776.153 70062.76  1105.46 68843.62  1090.00  268.607   2.1201  266.260   2.1089 2.346527 2.990371 
1 1 1   13    5    1 o  100.905   0.8071  9882.37  157.925  9850.52  218.221  9917.40  228.836  100.735   1.1160  101.075   1.1663 -0.3406677 1.614206 
1 1 1   13    5    2 o  211.760   1.2614 43505.77  514.633 43254.76  686.033 43828.80  778.265  211.067   1.6744  212.452   1.8871 -1.385483 2.522865 
1 1 1   13    5    3 o  210.188   1.2601 42933.53  510.792 43217.00  685.625 42579.96  765.734  210.973   1.6741  209.402   1.8838 1.571289 2.520206 
1 1 1   13    5    4 o   46.933   0.5858  2136.70   53.349  2090.88   74.113  2185.97   76.856   46.411   0.8226   47.455   0.8343 -1.043564 1.171669 
1 1 1   13    5    5 o   77.964   0.7050  5901.83  106.630  5938.02  148.466  5863.29  153.243   78.211   0.9779   77.716   1.0158 0.4942017 1.410004 
1 1 1   13    5    6 o  197.194   1.2068 37796.39  460.458 37370.90  676.930 38162.80  628.173  196.155   1.7778  198.233   1.6324 -2.078094 2.413582 
1 1 1   13    5    7 o   49.717   0.6272  2400.48   60.475  2421.82   83.887  2377.39   87.263   49.948   0.8652   49.487   0.9084 0.4608040 1.254493 
1 1 1   13    5    8 o   56.202   0.6324  3066.73   68.974  3082.84   96.603  3049.97   98.512   56.353   0.8831   56.052   0.9054 0.3015251 1.264750 
1 1 1   13    5    9 o   79.625   0.8637  6157.79  126.924  6161.51  156.868  6150.73  215.986   79.664   1.0144   79.585   1.3981 0.7984924E-01 1.727314 
1 1 1   13    5   10 o   79.527   0.7337  6139.82  113.247  6192.50  161.957  6089.43  158.414   79.860   1.0447   79.193   1.0305 0.6669388 1.467426 
1 1 1   13    5   11 o  212.517   1.3033 43945.73  536.044 43245.33  785.891 44555.07  733.028  210.919   1.9195  214.115   1.7636 -3.195984 2.606681 
1 1 1   13    5   12 o   58.076   0.6650  3274.04   74.928  3249.03  104.115  3300.91  107.916   57.846   0.9272   58.305   0.9535 -0.4592857 1.329978 
1 1 1   13    5   13 o   49.063   0.6755  2336.73   64.324  2391.22   91.872  2284.32   90.090   49.624   0.9537   48.502   0.9569 1.121986 1.350986 
1 1 1   13    5   14 o   33.773   0.7742  1107.14   50.736  1146.81   72.755  1069.58   70.789   34.361   1.0907   33.184   1.0989 1.177418 1.548344 
1 1 1   13    5   15 o   33.137   0.8365  1066.30   53.782  1080.28   77.445  1053.28   74.745   33.347   1.1964   32.928   1.1694 0.4187546 1.672968 
1 1 1   13    5   16 o   48.076   0.8868  2200.54   79.136  2397.85  135.663  2098.78   97.431   49.669   1.4070   46.482   1.0798 3.187244 1.773627 
1 1 1   13    5   17 o   91.990   0.8848  8224.14  157.984  8198.15  224.878  8249.46  221.994   91.845   1.2613   92.134   1.2412 -0.2888794 1.769637 
1 1 1   13    5   18 o   34.167   0.9314  1135.59   61.733  1097.35   87.754  1173.05   86.862   33.596   1.3456   34.738   1.2881 -1.141994 1.862740 
1 1 1   13    5   19 f   43.681   0.8347  1846.63   70.605  1735.97   95.889  1977.68  104.348   42.259   1.1689   45.104   1.1918 -2.844757 1.669364 
1 1 1   13    5   20 o   63.563   0.7847  3923.10   96.761  3801.53  133.999  4055.56  139.870   62.536   1.1038   64.590   1.1156 -2.054512 1.569381 
1 1 1   13    5   21 o   56.730   1.0041  3152.82   99.568  3177.48  117.810  3091.18  186.274   57.163   1.0617   56.297   1.7045 0.8654747 2.008131 
1 1 1   13    5   22 o   47.216   0.8309  2170.44   76.156  2145.14  107.403  2196.03  108.000   46.939   1.1787   47.493   1.1715 -0.5544930 1.661846 
1 1 1   13    5   23 o   49.067   0.8235  2345.89   78.432  2370.18  111.888  2322.42  109.977   49.316   1.1688   48.818   1.1605 0.4980659 1.647072 
1 1 1   13    5   24 o   44.900   0.8698  1966.38   75.777  1900.45  105.413  2036.88  109.006   44.122   1.2308   45.678   1.2294 -1.556557 1.739572 
1 1 1   13    5   25 o   11.010   2.3017  104.534   60.196   13.047   80.208  222.518   91.085   7.5691   3.1918   14.452   3.3170 -6.882839 4.603320 
1 1 1   13    5   26 o   34.102   1.0279  1144.05   67.804  1143.07   92.092  1145.20  100.199   34.106   1.3910   34.099   1.5138 0.6786346E-02 2.055809 
1 1 1   13    5   27 o   32.883   1.0802  1068.90   68.913  1116.95   99.041  1023.80   95.948   33.602   1.5184   32.163   1.5368 1.439034 2.160379 
1 1 1   13    5   28 f   12.721   2.8505  179.867   86.091   78.974  122.908  277.050  120.627   10.038   4.0631   15.404   3.9990 -5.365295 5.700909 
1 1 1   13    6    0 o  267.330   1.3918 69394.60  715.312 69393.53  948.271 69396.03  1089.60  267.336   1.8273  267.324   2.0997 0.1190186E-01 2.783502 
1 1 1   13    6    1 o  129.370   0.9445 16245.83  236.698 16214.03  324.330 16282.06  346.224  129.236   1.2928  129.505   1.3772 -0.2690125 1.888955 
1 1 1   13    6    2 o  123.140   0.9285 14735.90  221.630 15061.79  307.499 14383.59  319.722  124.559   1.2718  121.721   1.3531 2.838295 1.856975 
1 1 1   13    6    3 o  138.947   1.0027 18735.19  269.638 18636.00  366.802 18851.80  397.725  138.549   1.3638  139.346   1.4704 -0.7969666 2.005496 
1 1 1   13    6    4 f  167.003   1.1102 27085.54  358.510 27144.05  486.293 27015.89  530.623  167.203   1.4983  166.802   1.6388 0.4008942 2.220448 
1 1 1   13    6    5 o  141.377   1.0059 19414.29  275.317 19509.66  376.372 19304.52  403.785  141.753   1.3678  141.002   1.4752 0.7512360 2.011758 
1 1 1   13    6    6 o   99.792   0.8032  9668.40  155.577  9670.16  218.852  9666.60  221.206   99.802   1.1297   99.783   1.1420 0.1871490E-01 1.606347 
1 1 1   13    6    7 o  187.844   1.1959 34275.09  434.633 34321.04  591.437 34221.13  640.861  187.986   1.6208  187.702   1.7589 0.2842712 2.391740 
1 1 1   13    6    8 o   51.355   0.6404  2560.20   63.819  2558.25   89.068  2562.25   91.487   51.335   0.8938   51.375   0.9174 -0.3984833E-01 1.280808 
1 1 1   13    6    9 o   82.013   0.7103  6528.82  113.066  6420.61  158.592  6640.68  161.239   81.322   1.0046   82.704   1.0043 -1.381950 1.420557 
1 1 1   13    6   10 o   69.866   0.6872  4739.35   93.187  4810.33  132.013  4668.86  131.561   70.388   0.9662   69.345   0.9774 1.043022 1.374301 
1 1 1   13    6   11 o   62.883   0.6661  3839.76   81.295  3820.37  115.980  3858.48  113.982   62.727   0.9525   63.039   0.9315 -0.3126030 1.332240 
1 1 1   13    6   12 o   44.768   0.6687  1944.36   58.076  1899.08   80.497  1993.52   83.870   44.225   0.9377   45.311   0.9535 -1.085979 1.337339 
1 1 1   13    6   13 o  122.527   0.9269 14587.72  220.313 14471.99  316.581 14696.40  306.788  122.054   1.3362  123.001   1.2849 -0.9468231 1.853735 
1 1 1   13    6   14 o   57.259   0.6750  3182.77   75.010  3243.13  107.427  3125.35  104.782   57.789   0.9576   56.730   0.9515 1.058830 1.349979 
1 1 1   13    6   15 o   70.953   0.7493  4890.05  103.196  4823.64  146.027  4956.30  145.857   70.471   1.0675   71.434   1.0518 -0.9632339 1.498630 
1 1 1   13    6   16 f  167.954   1.4633 27462.53  477.061 27577.55  677.082 27349.12  672.275  168.303   2.0725  167.606   2.0663 0.6969604 2.926545 
1 1 1   13    6   17 o   56.743   0.8579  3140.57   92.083  3182.07  118.084  3076.19  147.092   57.231   1.0629   56.255   1.3470 0.9762268 1.715853 
1 1 1   13    6   18 f   62.499   0.7622  3793.77   92.404  3836.25  133.471  3754.68  128.053   62.834   1.0943   62.165   1.0612 0.6695366 1.524310 
1 1 1   13    6   19 o   48.751   0.8115  2313.06   76.698  2419.63  107.654  2203.20  109.300   49.895   1.1115   47.607   1.1827 2.288143 1.623043 
1 1 1   13    6   20 o   57.460   0.9983  3276.54  103.324  3392.48  125.919  3037.59  180.772   59.075   1.0980   55.844   1.6676 3.231346 1.996635 
1 1 1   13    6   21 o   87.346   0.8731  7424.34  148.035  7464.94  209.585  7383.92  209.123   87.585   1.2327   87.107   1.2368 0.4773254 1.746185 
1 1 1   13    6   22 o   35.371   0.9757  1221.31   66.892  1278.22   93.738  1162.26   95.484   36.216   1.3334   34.525   1.4247 1.691597 1.951339 
1 1 1   13    6   23 o   38.185   0.9173  1421.38   67.962  1479.72   97.480  1366.19   94.802   38.948   1.2893   37.422   1.3051 1.526249 1.834556 
1 1 1   13    6   24 o   53.572   0.8266  2799.76   85.933  2772.33  119.866  2828.77  123.260   53.305   1.1584   53.839   1.1794 -0.5346909 1.653146 
1 1 1   13    6   25 o   28.470   1.2227  799.769   67.498  849.745   96.161  751.231   94.767   29.358   1.6873   27.583   1.7699 1.775675 2.445366 
1 1 1   13    6   26 o   45.235   0.8663  2005.94   76.052  2037.08  106.980  1974.13  108.136   45.596   1.2087   44.875   1.2414 0.7216835 1.732601 
1 1 1   13    6   27 o   23.949   1.4668  576.039   68.125  542.412   94.597  612.268   98.189   23.214   2.0993   24.684   2.0492 -1.470364 2.933637 
1 1 1   13    6   28 o   8.5500   3.7842  -2.5220  124.135   0.0000   0.0000  -2.5220  124.135  ?   ?    8.5500   3.7842      ?      ? 
1 1 1   13    7    0 o  128.620   1.1417 16013.83  270.162 15912.77  332.156 16211.37  464.385  128.029   1.3365  129.212   1.8514 -1.182678 2.283441 
1 1 1   13    7    1 o  279.366   1.4259 75753.28  764.829 75544.59  1009.12 76034.98  1172.42  278.925   1.8638  279.807   2.1585 -0.8825378 2.851815 
1 1 1   13    7    2 o  177.935   1.1448 30766.41  393.770 31035.19  534.317 30446.90  582.555  178.789   1.5395  177.081   1.6947 1.708527 2.289608 
1 1 1   13    7    3 f  134.941   0.9801 17681.84  256.223 17732.78  351.627 17624.16  374.127  135.150   1.3403  134.733   1.4305 0.4169464 1.960270 
1 1 1   13    7    4 o  104.334   0.8299 10564.95  167.791 10522.12  230.334 10613.38  244.921  104.109   1.1397  104.558   1.2067 -0.4491730 1.659865 
1 1 1   13    7    5 o   64.151   0.6266  3993.77   77.986  3960.12  108.422  4029.84  112.257   63.871   0.8745   64.431   0.8975 -0.5595589 1.253110 
1 1 1   13    7    6 o  132.864   1.0481 17154.53  270.003 16861.96  389.627 17424.82  374.505  131.771   1.5232  133.956   1.4402 -2.185013 2.096292 
1 1 1   13    7    7 o  120.495   0.9341 14099.31  218.451 14199.71  307.104 13996.47  310.801  120.930   1.3082  120.060   1.3336 0.8694687 1.868131 
1 1 1   13    7    8 o   63.096   0.6508  3864.90   79.698  3875.58  112.050  3853.97  113.381   63.184   0.9136   63.007   0.9270 0.1765862 1.301514 
1 1 1   13    7    9 o  136.642   0.9861 18128.02  261.508 17904.63  365.904 18361.26  373.882  135.782   1.3882  137.502   1.4007 -1.719864 1.972120 
1 1 1   13    7   10 o  145.887   1.0474 20666.54  295.951 20785.32  433.999 20563.28  404.618  146.275   1.5285  145.499   1.4326 0.7755890 2.094874 
1 1 1   13    7   11 o   47.354   0.7998  2188.23   67.827  2205.43   81.650  2149.94  121.832   47.660   0.8825   47.047   1.3340 0.6133652 1.599539 
1 1 1   13    7   12 o   12.545   1.8541  160.225   43.520  172.343   58.860  145.609   64.640   13.103   2.4027   11.986   2.8244 1.116493 3.708145 
1 1 1   13    7   13 o   63.949   0.6869  3970.85   85.247  4099.57  121.198  3844.82  119.927   64.975   0.9609   62.924   0.9818 2.051842 1.373806 
1 1 1   13    7   14 o   13.541   1.7765  184.639   45.196  211.197   62.086  154.700   65.919   14.730   2.1713   12.351   2.8124 2.378756 3.553041 
1 1 1   13    7   15 o   70.236   0.7449  4792.61  101.531  4717.17  144.433  4866.31  142.755   69.689   1.0677   70.783   1.0390 -1.094482 1.489747 
1 1 1   13    7   16 o  131.199   1.1683 16740.21  297.536 16691.04  420.728 16789.41  420.832  131.006   1.6544  131.393   1.6500 -0.3861694 2.336546 
1 1 1   13    7   17 o   31.513   0.9520  969.501   57.958  1021.52   79.598  910.798   84.556   32.420   1.2648   30.607   1.4232 1.812958 1.904004 
1 1 1   13    7   18 o  106.989   0.9906 11130.32  205.742 11152.61  291.300 11108.13  290.628  107.096   1.4012  106.882   1.4008 0.2137222 1.981298 
1 1 1   13    7   19 o   90.761   0.8899  8007.16  156.725  7934.77  218.095  8084.46  225.370   90.339   1.2437   91.183   1.2733 -0.8443222 1.779854 
1 1 1   13    7   20 o   42.589   0.8771  1767.91   72.340  1841.85  100.297  1687.74  104.437   43.523   1.1872   41.655   1.2916 1.867516 1.754285 
1 1 1   13    7   21 o   25.741   1.2126  647.043   60.140  641.460   90.530  651.453   80.459   25.633   1.8194   25.849   1.6035 -0.2157021 2.425179 
1 1 1   13    7   22 o   9.2189   2.4487   61.383   60.057   37.286   83.135   87.683   86.855   8.4270   3.3658   10.011   3.5575 -1.583817 4.897418 
1 1 1   13    7   23 o   16.759   1.8580  285.320   58.007  341.076   81.806  228.939   82.263   18.600   2.2657   14.917   2.9454 3.682757 3.716027 
1 1 1   13    7   24 o   34.115   1.0404  1137.92   68.710  1119.85   93.432  1159.19  101.396   33.830   1.4228   34.400   1.5184 -0.5698509 2.080843 
1 1 1   13    7   25 o   54.421   0.8184  2894.04   86.416  2975.76  124.423  2817.89  120.112   55.161   1.1620   53.681   1.1527 1.479824 1.636715 
1 1 1   13    7   26 o   37.977   0.9881  1416.37   72.792  1344.74  101.198  1493.16  104.782   36.979   1.4098   38.975   1.3849 -1.996117 1.976231 
1 1 1   13    7   27 o   28.560   1.3040  813.481   72.242  783.332   99.916  846.507  104.573   28.009   1.8377   29.111   1.8505 -1.101862 2.607965 
1 1 1   13    7   28 o   7.1904   3.3847 -95.3945  121.678   0.0000   0.0000 -95.3945  121.678  ?   ?    7.1904   3.3847      ?      ? 
1 1 1   13    8    0 o  444.074   1.8604 191011.50  1566.33 189011.70  2004.77 194145.00  2509.51  441.140   2.3411  447.008   2.8921 -5.868683 3.720871 
1 1 1   13    8    1 o  108.172   0.8501 11347.56  178.193 11172.14  244.105 11547.68  260.721  107.278   1.1722  109.065   1.2315 -1.787094 1.700167 
1 1 1   13    8    2 o  121.842   0.9256 14401.33  218.520 14240.38  299.310 14585.04  319.773  121.114   1.2731  122.570   1.3440 -1.455383 1.851230 
1 1 1   13    8    3 o  278.826   1.4439 75535.07  773.343 75722.09  1023.03 75285.72  1181.32  279.241   1.8873  278.411   2.1858 0.8306885 2.887862 
1 1 1   13    8    4 o  180.813   1.1680 31747.75  407.745 31758.55  548.897 31734.46  609.060  180.852   1.5635  180.774   1.7356 0.7731628E-01 2.336028 
1 1 1   13    8    5 o  224.986   1.3023 49115.09  564.406 48772.80  751.842 49557.05  854.324  224.098   1.7283  225.874   1.9485 -1.775879 2.604526 
1 1 1   13    8    6 o   18.416   1.1642  338.551   40.429  385.275   53.782  277.846   61.303   19.919   1.3909   16.913   1.8673 3.006586 2.328382 
1 1 1   13    8    7 o   67.884   0.6374  4472.89   83.987  4366.22  118.071  4582.14  119.492   67.064   0.9070   68.703   0.8960 -1.638420 1.274890 
1 1 1   13    8    8 o  183.614   1.1196 32742.36  399.065 32807.09  566.367 32678.53  562.382  183.794   1.5875  183.434   1.5794 0.3599091 2.239297 
1 1 1   13    8    9 o   60.171   0.7639  3514.81   85.375  3513.62  106.268  3516.98  143.377   60.160   0.9100   60.182   1.2273 -0.2251434E-01 1.527846 
1 1 1   13    8   10 o   82.168   0.7187  6555.42  114.626  6571.02  163.317  6540.28  160.921   82.264   1.0227   82.072   1.0101 0.1922607 1.437429 
1 1 1   13    8   11 o   89.570   0.7896  7790.94  137.290  7795.13  194.171  7786.76  194.143   89.594   1.1165   89.546   1.1169 0.4818726E-01 1.579216 
1 1 1   13    8   12 o   49.138   0.6532  2344.59   62.262  2347.74   86.544  2341.21   89.641   49.172   0.9067   49.103   0.9404 0.6910324E-01 1.306324 
1 1 1   13    8   13 o  185.605   1.6031 33526.44  577.597 33625.01  818.037 33428.45  815.659  185.877   2.2672  185.333   2.2672 0.5440826 3.206286 
1 1 1   13    8   14 o   32.993   0.7968  1053.31   50.908  957.814   69.809  1161.78   74.401   31.401   1.1452   34.584   1.1082 -3.183065 1.593664 
1 1 1   13    8   15 f   70.121   0.7527  4776.32  102.416  4757.63  146.785  4794.05  142.967   69.986   1.0805   70.255   1.0483 -0.2690048 1.505438 
1 1 1   13    8   16 o  119.024   1.0737 13764.71  247.972 14068.36  357.065 13481.82  344.636  120.290   1.5292  117.759   1.5077 2.531425 2.147404 
1 1 1   13    8   17 o  143.944   1.2712 20167.20  355.188 20099.46  500.760 20235.80  503.879  143.701   1.7952  144.186   1.8003 -0.4854126 2.542361 
1 1 1   13    8   18 f   76.690   0.8089  5714.36  120.404  5651.75  168.563  5779.58  172.043   76.261   1.1387   77.118   1.1493 -0.8567352 1.617812 
1 1 1   13    8   19 o   46.834   0.8082  2131.99   73.473  2125.46  103.371  2138.66  104.451   46.762   1.1388   46.907   1.1471 -0.1444855 1.616391 
1 1 1   13    8   20 o   53.710   0.7929  2802.36   82.632  2729.49  114.809  2880.67  119.022   52.987   1.1162   54.434   1.1264 -1.446838 1.585782 
1 1 1   13    8   21 f   65.824   0.7864  4214.88  100.485  4208.94  142.301  4220.79  141.915   65.777   1.1145   65.871   1.1099 -0.9319305E-01 1.572845 
1 1 1   13    8   22 f   19.771   1.5938  384.123   61.135  378.402   87.566  389.564   85.391   19.623   2.2988   19.920   2.2083 -0.2968292 3.187698 
1 1 1   13    8   23 o   36.873   0.9510  1336.51   67.559  1482.75   93.951  1179.93   97.218   38.992   1.2413   34.754   1.4410 4.237701 1.901916 
1 1 1   13    8   24 o   27.100   1.1842  721.524   62.069  726.238   84.436  715.982   91.553   27.210   1.5986   26.989   1.7475 0.2204494 2.368371 
1 1 1   13    8   25 o   46.489   0.8461  2111.25   76.284  2224.73  110.567  2008.16  105.383   47.680   1.1946   45.299   1.1985 2.381420 1.692153 
1 1 1   13    8   26 o   41.120   0.9508  1658.17   75.819  1562.79  104.867  1762.64  109.749   39.880   1.3546   42.360   1.3347 -2.480885 1.901681 
1 1 1   13    8   27 o   23.512   1.5116  558.938   68.791  580.922   95.104  534.815   99.624   24.038   2.0381   22.985   2.2328 1.053041 3.023128 
1 1 1   13    8   28 o   12.766   4.0865  189.927  114.529   0.0000   0.0000  189.927  114.529  ?   ?    12.766   4.0865      ?      ? 
1 1 1   13    9    0 o  196.443   1.2202 37488.89  463.017 37668.53  625.312 37270.87  688.908  196.968   1.6354  195.918   1.8114 1.050171 2.440483 
1 1 1   13    9    1 o  147.938   1.0275 21262.17  294.316 21456.00  403.186 21041.07  430.617  148.662   1.3971  147.214   1.5069 1.447632 2.054911 
1 1 1   13    9    2 o   61.316   0.6041  3650.09   71.893  3690.47  101.013  3608.64  102.343   61.660   0.8439   60.972   0.8647 0.6875916 1.208275 
1 1 1   13    9    3 o  179.069   1.1573 31146.96  400.615 31264.35  543.014 31006.75  593.448  179.442   1.5589  178.695   1.7108 0.7476807 2.314546 
1 1 1   13    9    4 o  219.122   1.2882 46600.25  543.780 46390.83  724.835 46869.86  822.416  218.567   1.7084  219.677   1.9286 -1.109741 2.576458 
1 1 1   13    9    5 o   51.835   0.7558  2623.10   70.475  2647.82   85.178  2569.45  125.483   52.227   0.8402   51.443   1.2566 0.7835121 1.511581 
1 1 1   13    9    6 o   78.491   0.7081  5982.62  107.802  6023.48  149.772  5938.71  155.286   78.769   0.9795   78.212   1.0228 0.5570450 1.416183 
1 1 1   13    9    7 o   26.907   0.8042  702.057   41.977  726.784   60.740  679.450   58.078   27.360   1.1436   26.454   1.1310 0.9058495 1.608414 
1 1 1   13    9    8 o  134.157   0.9418 17482.97  245.105 17281.81  351.897 17672.52  341.593  133.406   1.3589  134.908   1.3044 -1.502106 1.883600 
1 1 1   13    9    9 o  106.602   0.8531 11024.80  176.342 11235.95  256.550 10835.70  242.790  107.567   1.2286  105.636   1.1840 1.931442 1.706293 
1 1 1   13    9   10 o  111.385   0.9376 12050.18  202.734 12124.14  287.106 11976.62  286.315  111.726   1.3238  111.044   1.3283 0.6820526 1.875290 
1 1 1   13    9   11 o   31.092   0.7837  941.737   47.149  991.865   65.316  887.195   68.131   31.960   1.0528   30.225   1.1612 1.734924 1.567435 
1 1 1   13    9   12 f   93.919   0.8398  8568.26  153.089  8471.55  217.260  8663.62  215.748   93.392   1.1984   94.446   1.1768 -1.053970 1.679585 
1 1 1   13    9   13 o  116.359   0.9384 13152.40  211.922 13241.05  302.603 13067.07  296.885  116.743   1.3353  115.975   1.3187 0.7680893 1.876725 
1 1 1   13    9   14 o   46.750   0.6980  2122.60   63.340  2163.32   89.695  2082.09   89.458   47.197   0.9790   46.302   0.9953 0.8951263 1.396093 
1 1 1   13    9   15 o   80.799   0.9634  6279.00  142.851  6542.75  248.489  6148.80  174.584   82.037   1.5604   79.560   1.1304 2.477638 1.926829 
1 1 1   13    9   16 o   52.489   0.7372  2673.16   75.050  2526.76  104.340  2830.09  108.029   51.002   1.0539   53.977   1.0310 -2.975609 1.474354 
1 1 1   13    9   17 o   51.141   0.9059  2540.96   87.711  2548.13  140.596  2536.40  112.229   51.192   1.4148   51.090   1.1316 0.1013794 1.811719 
1 1 1   13    9   18 o   58.373   0.7615  3312.37   86.245  3364.41  120.605  3257.90  123.381   58.843   1.0559   57.902   1.0977 0.9414063 1.523086 
1 1 1   13    9   19 o   70.173   0.7905  4786.16  107.677  4729.44  152.171  4843.04  152.385   69.756   1.1238   70.590   1.1121 -0.8338394 1.581022 
1 1 1   13    9   20 o   31.465   1.0743  966.137   65.339  1072.25   92.677  861.269   92.132   33.192   1.4384   29.738   1.5960 3.453680 2.148536 
1 1 1   13    9   21 o   32.537   1.0399  1031.96   65.541  946.334   91.868  1120.72   93.532   31.157   1.5189   33.916   1.4207 -2.758753 2.079777 
1 1 1   13    9   22 o   54.690   0.7864  2912.00   83.379  2906.44  120.895  2917.05  115.146   54.636   1.1399   54.744   1.0836 -0.1079865 1.572719 
1 1 1   13    9   23 o   27.942   1.2100  765.316   65.570  779.422   91.354  750.327   94.171   28.214   1.6680   27.670   1.7533 0.5442867 2.419962 
1 1 1   13    9   24 o   32.713   1.0232  1061.69   64.088  932.695   94.882  1169.91   86.910   30.833   1.5853   34.594   1.2942 -3.760845 2.046483 
1 1 1   13    9   25 o   58.671   0.8073  3365.57   91.926  3453.30  131.449  3281.60  128.605   59.420   1.1396   57.923   1.1438 1.497692 1.614607 
1 1 1   13    9   26 o   34.416   1.0502  1168.22   70.086  1225.05   98.818  1110.71   99.417   35.274   1.4432   33.559   1.5261 1.714596 2.100420 
1 1 1   13    9   27 o   20.768   1.6526  438.033   66.355  492.221   95.729  387.918   92.060   22.042   2.2373   19.494   2.4328 2.548735 3.305146 
1 1 1   13    9   28 o   6.7011   3.2147 -135.8670  120.627   0.0000   0.0000 -135.8670  120.627  ?   ?    6.7011   3.2147      ?      ? 
1 1 1   13   10    0 o   76.639   0.6868  5702.85  102.108  5741.69  142.126  5661.42  146.793   76.909   0.9520   76.369   0.9902 0.5398407 1.373600 
1 1 1   13   10    1 f  257.274   1.3758 64162.73  680.459 63472.69  899.552 65085.72  1040.36  255.669   1.8125  258.879   2.0702 -3.210419 2.751575 
1 1 1   13   10    2 o  146.876   1.0260 20938.97  291.376 20881.68  394.788 21007.53  431.836  146.657   1.3867  147.095   1.5124 -0.4373627 2.051902 
1 1 1   13   10    3 o  158.420   1.0866 24366.99  333.085 24351.01  453.295 24385.74  491.077  158.366   1.4745  158.474   1.5963 -0.1080170 2.173139 
1 1 1   13   10    4 o  130.723   1.1264 16593.83  273.233 16593.44  339.728 16594.54  459.782  130.730   1.3387  130.716   1.8120 0.1440430E-01 2.252893 
1 1 1   13   10    5 o   92.737   0.7757  8351.20  139.502  8390.03  193.388  8309.07  201.428   92.963   1.0717   92.512   1.1217 0.4507523 1.551308 
1 1 1   13   10    6 o  106.357   0.8330 10982.97  171.970 11148.84  243.452 10817.77  242.954  107.158   1.1704  105.555   1.1857 1.603508 1.666040 
1 1 1   13   10    7 o  171.782   1.1840 28663.45  394.759 28941.40  555.755 28380.40  560.827  172.624   1.6585  170.941   1.6901 1.683411 2.367945 
1 1 1   13   10    8 o   23.339   0.8944  529.022   40.513  523.814   57.754  534.067   56.843   23.226   1.2810   23.453   1.2486 -0.2264709 1.788834 
1 1 1   13   10    9 o   81.419   0.7183  6436.46  113.515  6424.20  161.493  6448.42  159.593   81.342   1.0228   81.496   1.0088 -0.1535797 1.436583 
1 1 1   13   10   10 o   43.887   0.6085  1869.80   51.832  1922.01   73.688  1818.67   72.922   44.493   0.8532   43.281   0.8680 1.212902 1.217071 
1 1 1   13   10   11 o  115.853   0.9655 13042.47  217.025 12868.20  310.458 13209.02  303.501  115.095   1.3896  116.612   1.3408 -1.517632 1.930947 
1 1 1   13   10   12 o  108.353   0.8669 11400.93  182.286 11498.19  261.532 11309.05  254.207  108.801   1.2383  107.904   1.2136 0.8969955 1.733858 
1 1 1   13   10   13 o  112.126   0.9513 12217.34  207.025 12044.96  294.229 12386.36  291.347  111.341   1.3613  112.910   1.3293 -1.569687 1.902676 
1 1 1   13   10   14 o   50.859   0.8127  2499.91   77.271  2559.58  128.560  2466.16   96.684   51.327   1.2903   50.392   0.9884 0.9346199 1.625371 
1 1 1   13   10   15 o  141.279   1.2430 19407.67  340.823 19727.07  487.344 19101.91  476.821  142.416   1.7628  140.143   1.7527 2.273132 2.485905 
1 1 1   13   10   16 o   92.449   0.8843  8305.40  158.689  8368.72  224.596  8242.28  224.245   92.802   1.2468   92.097   1.2543 0.7044067 1.768541 
1 1 1   13   10   17 o   93.529   0.9059  8503.29  164.458  8593.68  232.855  8413.32  232.303   94.025   1.2758   93.032   1.2863 0.9930420 1.811705 
1 1 1   13   10   18 o  113.995   1.0432 12628.57  230.735 13066.05  332.760 12223.45  320.219  115.894   1.4791  112.096   1.4716 3.797874 2.086483 
1 1 1   13   10   19 o   65.165   0.7790  4129.30   98.469  4062.41  141.262  4192.53  137.333   64.649   1.1256   65.680   1.0771 -1.031219 1.557981 
1 1 1   13   10   20 o   83.682   0.8574  6810.77  139.264  6795.44  198.480  6825.64  195.453   83.588   1.2232   83.777   1.2019 -0.1885452 1.714863 
1 1 1   13   10   21 o   37.649   0.9361  1380.44   68.297  1488.26   97.535  1276.71   95.664   39.095   1.2852   36.203   1.3613 2.892162 1.872116 
1 1 1   13   10   22 o   14.306   2.1134  202.926   57.892  269.414   87.431  151.016   77.253   16.508   2.7284   12.105   3.2283 4.402697 4.226871 
1 1 1   13   10   23 o   22.314   1.4560  492.032   62.762  537.247   87.731  444.633   89.825   23.387   1.9325   21.241   2.1785 2.145264 2.912085 
1 1 1   13   10   24 o   34.869   0.9656  1177.08   64.990  1320.16   98.425  1066.46   86.538   36.725   1.3807   33.014   1.3504 3.710800 1.931234 
1 1 1   13   10   25 o   24.060   1.3604  576.076   63.263  636.119   89.415  515.890   89.520   25.348   1.8172   22.773   2.0250 2.574825 2.720846 
1 1 1   13   10   26 o   46.767   0.8553  2140.73   77.334  2189.60  115.171  2100.60  104.359   47.233   1.2561   46.301   1.1611 0.9326019 1.710567 
1 1 1   13   10   27 o   6.9950   2.2305 -48.3009   66.371   15.919   95.147 -109.1683   92.631   8.0409   3.4368   5.9492   2.8441 2.091704 4.460965 
1 1 1   13   10   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   11    0 o   47.624   0.5792  2203.27   53.499  2285.87   75.219  2118.71   76.106   48.528   0.7985   46.719   0.8392 1.808262 1.158374 
1 1 1   13   11    1 o   90.489   0.7563  7942.08  132.635  7836.10  182.036  8062.03  193.652   89.846   1.0437   91.131   1.0947 -1.285316 1.512527 
1 1 1   13   11    2 o  146.770   1.0270 20857.12  291.308 20336.00  391.766 21501.56  435.665  144.727   1.3945  148.813   1.5082 -4.085861 2.054050 
1 1 1   13   11    3 o  141.469   1.0215 19450.17  280.090 19804.76  387.683 19063.00  405.104  142.821   1.3984  140.118   1.4894 2.703323 2.042962 
1 1 1   13   11    4 o  182.472   1.1919 32375.84  420.421 32799.02  571.208 31875.61  621.042  183.780   1.6012  181.164   1.7660 2.615906 2.383767 
1 1 1   13   11    5 o   73.672   0.6845  5269.81   97.875  5330.83  137.738  5207.58  139.104   74.103   0.9575   73.241   0.9784 0.8620071 1.369003 
1 1 1   13   11    6 o  141.854   0.9962 19539.38  274.307 19454.76  386.036 19625.67  389.850  141.544   1.4050  142.164   1.4127 -0.6199951 1.992388 
1 1 1   13   11    7 o  179.940   1.1681 31466.49  406.763 31708.84  555.073 31185.38  597.800  180.693   1.5825  179.186   1.7186 1.507355 2.336247 
1 1 1   13   11    8 o   83.498   0.7362  6765.36  119.274  6887.00  171.677  6651.87  165.833   84.223   1.0501   82.773   1.0321 1.449799 1.472363 
1 1 1   13   11    9 o   51.881   0.6199  2614.86   62.375  2566.56   89.626  2660.23   86.861   51.416   0.8980   52.346   0.8548 -0.9304810 1.239801 
1 1 1   13   11   10 o   83.576   0.7598  6782.81  123.255  6675.40  173.917  6891.19  174.704   82.911   1.0806   84.241   1.0683 -1.329941 1.519555 
1 1 1   13   11   11 o   55.831   0.6476  3026.48   70.155  3024.24   97.825  3028.85  100.665   55.810   0.9030   55.852   0.9285 -0.4196548E-01 1.295169 
1 1 1   13   11   12 o   61.749   0.6677  3701.99   80.030  3735.07  114.097  3669.96  112.283   62.021   0.9477   61.478   0.9409 0.5427666 1.335435 
1 1 1   13   11   13 o   56.301   0.8040  3091.75   85.335  3024.59  137.512  3133.82  108.824   55.797   1.2696   56.806   0.9869 -1.009289 1.608052 
1 1 1   13   11   14 o  115.897   0.9939 13053.36  223.597 13002.49  316.625 13103.97  315.805  115.671   1.4101  116.123   1.4010 -0.4514389 1.987760 
1 1 1   13   11   15 o   92.397   0.8778  8291.19  157.406  8490.84  225.472  8101.38  219.846   93.482   1.2425   91.313   1.2403 2.168922 1.755603 
1 1 1   13   11   16 o   31.550   0.9387  975.674   56.760  1027.93   75.750  908.772   85.710   32.525   1.1998   30.574   1.4441 1.950893 1.877486 
1 1 1   13   11   17 o  108.601   1.0012 11468.63  211.060 11451.96  298.071 11485.38  298.897  108.521   1.4149  108.679   1.4168 -0.1579590 2.002347 
1 1 1   13   11   18 o   76.953   0.8198  5755.97  122.451  5753.33  173.872  5758.56  172.480   76.935   1.1642   76.971   1.1544 -0.3588867E-01 1.639527 
1 1 1   13   11   19 o  116.999   1.0684 13319.29  242.640 13148.39  340.563 13495.47  345.785  116.237   1.5093  117.760   1.5127 -1.523491 2.136883 
1 1 1   13   11   20 o   81.229   0.8377  6412.48  132.017  6550.32  190.372  6284.79  183.233   82.068   1.1950   80.390   1.1742 1.677834 1.675328 
1 1 1   13   11   21 o   79.558   0.8389  6160.90  129.560  6162.73  183.779  6159.09  182.676   79.570   1.1898   79.547   1.1830 0.2221680E-01 1.677862 
1 1 1   13   11   22 o   51.845   0.8235  2618.78   82.845  2532.84  117.245  2704.47  117.075   50.992   1.1845   52.697   1.1445 -1.705593 1.647069 
1 1 1   13   11   23 o   24.996   1.2708  611.516   61.575  569.865   85.042  657.414   89.273   24.100   1.8178   25.891   1.7762 -1.791452 2.541563 
1 1 1   13   11   24 o   37.677   0.9297  1387.91   67.974  1433.75   97.574  1344.69   94.747   38.281   1.3130   37.072   1.3166 1.208889 1.859435 
1 1 1   13   11   25 o   42.487   0.8840  1768.40   72.884  1789.66  104.733  1748.43  101.491   42.731   1.2626   42.244   1.2377 0.4870300 1.768066 
1 1 1   13   11   26 o   14.901   2.1302  230.474   60.522  324.627   90.641  154.725   81.301   17.850   2.6160   11.953   3.3626 5.896856 4.260344 
1 1 1   13   11   27 o   15.549   2.2991  266.319   67.090  293.821   92.598  235.928   97.339   16.544   2.9935   14.555   3.4903 1.989171 4.598195 
1 1 1   13   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   12    0 o   97.875   0.7948  9292.59  150.763  9183.26  206.912  9416.31  220.123   97.262   1.0959   98.488   1.1514 -1.225533 1.589562 
1 1 1   13   12    1 o  112.892   0.8735 12369.19  191.073 12314.51  262.189 12431.12  279.032  112.627   1.1992  113.158   1.2703 -0.5304565 1.746948 
1 1 1   13   12    2 o  147.549   1.0492 21148.61  299.359 21257.99  406.508 21018.99  442.494  147.969   1.4153  147.130   1.5493 0.8391113 2.098414 
1 1 1   13   12    3 f   96.537   0.7932  9049.73  148.474  9098.76  205.568  8996.25  214.677   96.811   1.0939   96.263   1.1488 0.5480118 1.586316 
1 1 1   13   12    4 o  113.803   0.8859 12580.41  195.464 12697.65  270.403 12452.10  282.872  114.360   1.2181  113.246   1.2868 1.113297 1.771858 
1 1 1   13   12    5 f  191.121   1.2033 35511.81  445.373 34939.54  649.562 36019.54  611.834  189.662   1.7643  192.581   1.6366 -2.918930 2.406535 
1 1 1   13   12    6 o  230.378   1.2550 51547.95  561.238 52183.48  797.085 50923.06  790.378  231.786   1.7715  228.969   1.7782 2.817001 2.510086 
1 1 1   13   12    7 o   38.233   0.6897  1424.01   51.011  1517.43   70.953  1324.06   73.389   39.536   0.9245   36.930   1.0237 2.605717 1.379404 
1 1 1   13   12    8 o  138.714   1.0132 18685.43  272.628 18736.75  393.083 18637.86  378.441  138.896   1.4579  138.532   1.4073 0.3640137 2.026312 
1 1 1   13   12    9 o  143.962   1.2085 20143.47  337.055 20048.09  491.777 20227.98  462.872  143.635   1.7638  144.289   1.6526 -0.6534119 2.417002 
1 1 1   13   12   10 o  141.567   1.0086 19468.30  277.158 19396.38  390.778 19541.09  393.153  141.304   1.4247  141.830   1.4280 -0.5258331 2.017131 
1 1 1   13   12   11 o   16.390   1.3859  263.803   43.646  296.595   60.436  228.057   63.098   17.468   1.7823   15.312   2.1228 2.155457 2.771843 
1 1 1   13   12   12 o  117.336   1.1082 13345.51  243.149 13504.41  403.139 13254.65  304.838  117.865   1.7620  116.808   1.3444 1.057343 2.216320 
1 1 1   13   12   13 o   95.567   0.8622  8872.68  159.934  9012.42  226.350  8733.36  226.012   96.319   1.2106   94.815   1.2280 1.504166 1.724388 
1 1 1   13   12   14 o  139.441   1.0877 18899.75  294.392 19290.86  417.596 18513.34  415.080  140.876   1.5271  138.005   1.5494 2.871246 2.175458 
1 1 1   13   12   15 o   55.212   1.0224  2963.45  109.544  2981.87  153.324  2944.25  156.564   55.388   1.4260   55.035   1.4655 0.3527031 2.044808 
1 1 1   13   12   16 o   74.053   0.7808  5328.65  112.216  5389.53  157.721  5266.25  159.693   74.482   1.0909   73.624   1.1174 0.8584824 1.561583 
1 1 1   13   12   17 o   64.837   0.7724  4082.08   97.176  4244.82  139.270  3927.68  135.657   66.096   1.0855   63.578   1.0992 2.517918 1.544820 
1 1 1   13   12   18 o   66.379   0.7824  4281.20  100.793  4174.14  141.308  4392.07  143.809   65.534   1.1108   67.224   1.1020 -1.689713 1.564731 
1 1 1   13   12   19 o   98.435   1.1488  9520.14  209.128  9726.52  260.513  9146.14  350.703   99.998   1.3421   96.872   1.8650 3.126442 2.297674 
1 1 1   13   12   20 o   68.300   0.7926  4536.33  105.075  4505.01  148.947  4567.36  148.253   68.064   1.1273   68.535   1.1144 -0.4708862 1.585128 
1 1 1   13   12   21 o   28.349   1.1641  784.169   64.047  809.300   91.471  759.997   89.707   28.796   1.6364   27.903   1.6562 0.8928051 2.328247 
1 1 1   13   12   22 o   67.839   0.7990  4481.88  105.217  4438.73  148.262  4525.67  149.343   67.510   1.1313   68.169   1.1286 -0.6585541 1.598020 
1 1 1   13   12   23 o   15.977   1.9849  277.689   56.983  169.755   85.788  362.911   76.229   12.752   3.4025   19.201   2.0452 -6.448653 3.969860 
1 1 1   13   12   24 o   19.892   1.6697  402.172   62.302  285.877   87.971  519.195   88.246   16.871   2.6862   22.912   1.9841 -6.040913 3.339494 
1 1 1   13   12   25 o   12.346   2.3593  162.100   57.162  172.319   89.637  155.096   74.210   12.638   3.5222   12.054   3.1401 0.5836372 4.718689 
1 1 1   13   12   26 o   17.303   1.9319  306.948   64.845  318.260   91.498  295.534   91.912   17.643   2.6716   16.962   2.7914 0.6809959 3.863866 
1 1 1   13   12   27 o   11.927   2.3186  135.512   68.081  289.395   98.513  -5.1818   94.196   16.282   3.2310   7.5731   3.3264 8.708576 4.637233 
1 1 1   13   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   13    0 o  108.544   0.8639 11431.51  181.764 11324.10  249.852 11552.26  264.916  108.003   1.1917  109.085   1.2511 -1.081375 1.727831 
1 1 1   13   13    1 o  162.814   1.1048 25743.82  347.881 25791.47  472.375 25687.35  514.244  162.982   1.4931  162.647   1.6288 0.3350677 2.209558 
1 1 1   13   13    2 f  199.888   1.2358 38759.14  476.541 38425.57  638.046 39179.94  716.641  198.922   1.6524  200.854   1.8380 -1.931152 2.471579 
1 1 1   13   13    3 o   98.312   0.8053  9387.79  153.607  9565.56  215.275  9203.41  219.244   99.261   1.1172   97.363   1.1600 1.898117 1.610558 
1 1 1   13   13    4 o  164.208   1.1110 26203.19  352.725 26381.41  478.829 25991.73  521.563  164.823   1.4966  163.593   1.6424 1.230515 2.221975 
1 1 1   13   13    5 o  354.254   1.5062 121883.10  1035.25 120346.10  1437.61 123538.70  1492.02  351.940   2.1043  356.568   2.1556 -4.628357 3.012425 
1 1 1   13   13    6 o  154.878   1.0354 23292.73  311.287 23154.98  438.842 23432.23  441.625  154.417   1.4640  155.339   1.4646 -0.9217224 2.070826 
1 1 1   13   13    7 o   93.801   0.7786  8541.75  141.767  8698.95  201.537  8387.78  199.457   94.656   1.0968   92.947   1.1055 1.708595 1.557281 
1 1 1   13   13    8 o   99.700   1.0289  9740.37  189.126  9937.04  234.667  9375.88  319.469  101.160   1.1950   98.240   1.6752 2.920036 2.057785 
1 1 1   13   13    9 o   85.287   0.7314  7061.19  121.064  6865.40  169.877  7263.25  172.574   84.086   1.0408   86.488   1.0279 -2.402504 1.462793 
1 1 1   13   13   10 o   71.612   0.8210  4889.84  108.190  5261.05  188.494  4707.47  132.121   73.596   1.3194   69.628   0.9775 3.967850 1.642054 
1 1 1   13   13   11 o   97.451   0.9495  9201.30  173.384  9317.42  286.105  9133.90  217.969   97.924   1.5051   96.977   1.1579 0.9474106 1.898956 
1 1 1   13   13   12 o   55.822   0.6565  3025.85   71.143  3011.75  100.715  3039.91  100.507   55.692   0.9316   55.952   0.9254 -0.2599106 1.313090 
1 1 1   13   13   13 o  166.157   1.2063 26844.07  389.040 26877.53  546.838 26809.77  553.594  166.264   1.6943  166.050   1.7175 0.2136841 2.412549 
1 1 1   13   13   14 o   71.749   0.8982  5019.37  117.485  5053.63  143.595  4949.98  204.332   72.134   1.0255   71.364   1.4750 0.7693634 1.796460 
1 1 1   13   13   15 o   96.415   0.9001  9030.71  168.413  8946.94  234.947  9119.24  241.534   95.956   1.2613   96.874   1.2844 -0.9175186 1.800198 
1 1 1   13   13   16 o  130.069   1.1581 16455.50  292.404 16586.60  415.319 16326.64  411.748  130.582   1.6385  129.555   1.6372 1.027100 2.316261 
1 1 1   13   13   17 o   45.215   0.7900  1984.51   69.295  1896.94   96.395  2078.16   99.682   44.183   1.1239   46.246   1.1104 -2.063007 1.579923 
1 1 1   13   13   18 o   27.440   1.1810  733.442   62.860  768.015   89.002  699.032   88.791   28.087   1.6324   26.793   1.7072 1.294853 2.362056 
1 1 1   13   13   19 o   96.361   0.9324  9028.04  174.378  8806.10  243.927  9260.03  249.380   95.150   1.3206   97.572   1.3166 -2.422188 1.864850 
1 1 1   13   13   20 o   33.876   0.9901  1113.63   64.656  1307.54   94.340  941.881   88.787   36.653   1.3259   31.099   1.4707 5.554327 1.980184 
1 1 1   13   13   21 o   22.007   1.4851  487.146   61.685  377.323   90.499  582.443   84.302   19.599   2.3788   24.414   1.7788 -4.815617 2.970279 
1 1 1   13   13   22 f   27.826   1.2112  758.176   65.219  683.058   91.400  836.099   93.091   26.412   1.7827   29.241   1.6400 -2.829134 2.422380 
1 1 1   13   13   23 o   34.385   0.9575  1154.13   63.848  1172.18   92.701  1137.84   88.066   34.637   1.3787   34.134   1.3291 0.5030708 1.915062 
1 1 1   13   13   24 o   43.672   0.8778  1862.54   74.346  1932.38  107.950  1799.52  102.539   44.447   1.2512   42.897   1.2314 1.549919 1.755510 
1 1 1   13   13   25 o   20.335   1.4761  406.366   57.818  462.699   88.683  364.719   76.253   21.534   2.1215   19.135   2.0528 2.398825 2.952139 
1 1 1   13   13   26 o   23.190   1.4864  539.700   66.885  541.213   95.967  538.271   93.271   23.212   2.1298   23.169   2.0738 0.4286385E-01 2.972721 
1 1 1   13   13   27 o   19.493   1.6837  381.620   63.146  453.512   96.757  328.282   83.340   21.070   2.3656   17.915   2.3965 3.155319 3.367400 
1 1 1   13   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   14    0 o   52.323   0.5808  2657.36   58.803  2655.93   80.047  2659.03   86.669   52.308   0.7883   52.338   0.8531 -0.3012848E-01 1.161544 
1 1 1   13   14    1 o  142.864   1.0251 19792.88  283.315 19532.82  383.880 20103.98  419.868  141.836   1.3943  143.891   1.5032 -2.054626 2.050252 
1 1 1   13   14    2 o  155.201   1.0863 23438.65  326.358 24180.13  449.622 22612.98  474.460  157.804   1.4678  152.598   1.6017 5.205734 2.172536 
1 1 1   13   14    3 o  120.436   0.9142 14093.98  213.318 14261.52  293.622 13906.69  310.434  121.196   1.2481  119.676   1.3363 1.520241 1.828464 
1 1 1   13   14    4 o   48.899   0.5885  2322.06   55.836  2361.50   78.233  2281.11   79.716   49.322   0.8171   48.475   0.8471 0.8470039 1.177001 
1 1 1   13   14    5 o   89.216   0.7505  7728.76  129.935  7784.69  181.788  7670.34  185.789   89.546   1.0458   88.885   1.0768 0.6607819 1.501053 
1 1 1   13   14    6 o  119.024   0.9068 13758.78  209.320 13834.85  290.247 13676.33  302.159  119.368   1.2526  118.680   1.3116 0.6879883 1.813631 
1 1 1   13   14    7 o  179.149   1.2462 31177.77  433.375 31151.77  611.519 31204.00  614.261  179.074   1.7592  179.224   1.7656 -0.1495056 2.492402 
1 1 1   13   14    8 o   76.465   0.6967  5674.49  103.365  5602.75  143.637  5751.54  148.864   75.964   0.9741   76.966   0.9964 -1.001480 1.393411 
1 1 1   13   14    9 o  141.070   1.0387 19335.45  284.066 19279.12  412.230 19386.37  391.994  140.871   1.5075  141.269   1.4294 -0.3979797 2.077452 
1 1 1   13   14   10 o  125.218   1.0728 15211.62  253.478 15328.16  410.482 15139.79  322.262  125.590   1.6837  124.845   1.3298 0.7446136 2.145508 
1 1 1   13   14   11 o   99.267   0.8661  9565.83  166.820  9749.09  240.086  9394.75  231.962  100.185   1.2345   98.349   1.2150 1.836334 1.732146 
1 1 1   13   14   12 o  141.634   1.0493 19496.96  288.439 19323.97  411.172 19664.58  404.733  141.014   1.5021  142.255   1.4657 -1.241577 2.098685 
1 1 1   13   14   13 o  150.360   1.4066 21992.99  393.171 21984.92  489.976 22007.60  658.857  150.373   1.6786  150.346   2.2575 0.2714539E-01 2.813190 
1 1 1   13   14   14 o   62.538   0.6895  3797.74   83.695  3729.52  117.566  3867.83  119.175   61.969   0.9773   63.108   0.9728 -1.138847 1.378980 
1 1 1   13   14   15 o   68.863   0.7436  4601.56   99.340  4475.49  137.505  4739.19  143.674   67.878   1.0436   69.848   1.0596 -1.970245 1.487236 
1 1 1   13   14   16 o   54.951   0.7451  2931.99   79.456  2862.52  110.781  3005.58  114.024   54.281   1.0514   55.621   1.0561 -1.339611 1.490178 
1 1 1   13   14   17 f   62.331   0.7715  3774.94   93.343  3723.40  131.633  3827.06  132.383   61.903   1.0954   62.759   1.0867 -0.8563499 1.542986 
1 1 1   13   14   18 o  112.035   1.0313 12211.43  224.288 12263.44  318.432 12160.23  315.965  112.272   1.4611  111.799   1.4559 0.4725189 2.062644 
1 1 1   13   14   19 o   50.146   0.8278  2444.38   80.513  2456.76  116.413  2433.03  111.472   50.266   1.1931   50.026   1.1479 0.2400284 1.655627 
1 1 1   13   14   20 o   44.437   0.8652  1922.59   74.584  1874.85  106.588  1968.40  104.401   43.894   1.2509   44.980   1.1957 -1.086857 1.730473 
1 1 1   13   14   21 o   61.403   0.7829  3671.42   93.107  3637.65  136.000  3701.20  127.734   61.132   1.1461   61.675   1.0669 -0.5435219 1.565821 
1 1 1   13   14   22 o   39.269   0.9278  1503.78   70.656  1415.22   98.978  1595.80  100.896   38.086   1.3388   40.451   1.2849 -2.365288 1.855619 
1 1 1   13   14   23 o   20.791   1.4978  428.259   60.076  479.939   84.695  375.924   85.230   22.080   1.9760   19.501   2.2515 2.579418 2.995642 
1 1 1   13   14   24 o   53.136   0.8118  2752.86   83.634  2884.28  122.058  2636.55  114.825   54.326   1.1574   51.946   1.1387 2.379566 1.623685 
1 1 1   13   14   25 o   14.245   2.1890  212.801   61.051  304.073   88.787  130.945   84.082   17.326   2.6398   11.163   3.4927 6.163117 4.378081 
1 1 1   13   14   26 o   50.448   0.8297  2497.05   81.244  2543.30  115.163  2451.23  114.630   50.917   1.1652   49.979   1.1815 0.9376144 1.659412 
1 1 1   13   14   27 o   23.204   1.4738  537.975   65.991  616.803   99.690  476.491   88.042   24.701   2.0791   21.706   2.0895 2.994917 2.947632 
1 1 1   13   14   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   15    0 o  113.666   0.8845 12554.49  194.949 12818.21  271.095 12272.05  280.548  114.904   1.2154  112.428   1.2855 2.476379 1.769091 
1 1 1   13   15    1 o  149.550   1.0464 21732.96  303.043 21958.95  415.621 21476.44  442.805  150.383   1.4237  148.717   1.5339 1.666260 2.092797 
1 1 1   13   15    2 o   17.085   1.0988  283.851   36.347  308.830   51.567  259.189   51.239   17.833   1.4896   16.337   1.6157 1.496725 2.197609 
1 1 1   13   15    3 o   84.622   0.7154  6949.80  117.495  6840.36  164.235  7064.54  168.162   83.940   1.0079   85.304   1.0155 -1.364227 1.430809 
1 1 1   13   15    4 o  132.520   0.9612 17050.89  247.252 16915.14  347.163 17190.64  352.226  131.985   1.3550  133.055   1.3637 -1.070129 1.922441 
1 1 1   13   15    5 o   89.487   0.7555  7775.96  131.194  7834.73  183.426  7714.41  187.721   89.833   1.0519   89.140   1.0849 0.6932449 1.511068 
1 1 1   13   15    6 o   93.041   0.7720  8402.57  139.400  8306.58  194.912  8503.08  199.450   92.497   1.0855   93.584   1.0979 -1.087311 1.543955 
1 1 1   13   15    7 o   85.980   0.7383  7176.41  123.205  7118.64  172.513  7236.56  176.015   85.627   1.0379   86.333   1.0503 -0.7058868 1.476588 
1 1 1   13   15    8 o  153.411   1.0796 22871.63  321.269 22610.96  461.643 23116.44  447.379  152.560   1.5588  154.262   1.4940 -1.701645 2.159166 
1 1 1   13   15    9 o  221.208   1.5141 47592.44  641.562 47546.11  990.809 47625.89  841.885  221.080   2.3087  221.335   1.9595 -0.2551880 3.028163 
1 1 1   13   15   10 o   86.112   0.7778  7199.92  130.001  7274.02  185.643  7128.62  182.107   86.546   1.1050   85.677   1.0950 0.8689041 1.555626 
1 1 1   13   15   11 o  155.837   1.1390 23578.46  344.082 24006.67  501.794 23198.44  472.716  157.167   1.6447  154.507   1.5761 2.659943 2.278010 
1 1 1   13   15   12 o  107.359   1.0650 11199.89  215.051 11194.12  272.278 11209.47  350.624  107.340   1.3067  107.378   1.6821 -0.3842163E-01 2.130051 
1 1 1   13   15   13 o   74.021   0.7318  5320.75  105.123  5491.29  149.583  5154.32  147.767   75.193   1.0248   72.849   1.0449 2.344551 1.463592 
1 1 1   13   15   14 o  140.247   1.0783 19119.68  293.549 19223.97  417.174 19017.40  413.136  140.625   1.5282  139.868   1.5216 0.7566223 2.156581 
1 1 1   13   15   15 o   58.811   0.7186  3359.86   82.030  3401.33  115.885  3318.21  116.131   59.175   1.0088   58.447   1.0236 0.7281990 1.437173 
1 1 1   13   15   16 o   37.644   0.8413  1378.06   61.436  1413.31   86.074  1341.45   87.716   38.136   1.1627   37.152   1.2163 0.9843979 1.682628 
1 1 1   13   15   17 o  143.075   1.2679 19926.96  352.096 19668.08  494.001 20194.26  501.973  142.132   1.7905  144.019   1.7955 -1.887405 2.535710 
1 1 1   13   15   18 f   19.671   1.5720  379.532   59.642  424.956   83.864  333.047   84.837   20.875   2.0696   18.466   2.3667 2.408222 3.143944 
1 1 1   13   15   19 o   30.251   1.1359  894.221   66.472  838.104   96.003  945.899   92.128   29.331   1.6861   31.171   1.5226 -1.839823 2.271838 
1 1 1   13   15   20 o   51.305   0.8251  2560.33   82.042  2571.67  119.567  2550.25  112.781   51.409   1.1981   51.201   1.1347 0.2078247 1.650194 
1 1 1   13   15   21 o   64.559   0.7918  4059.99   99.080  3995.87  143.458  4118.48  137.005   64.066   1.1535   65.053   1.0849 -0.9868927 1.583590 
1 1 1   13   15   22 o   39.208   0.9181  1499.87   69.744  1495.77  101.745  1503.51   95.790   39.151   1.3388   39.265   1.2568 -0.1137276 1.836225 
1 1 1   13   15   23 o   27.885   1.1817  762.266   63.911  806.995   91.610  719.854   89.207   28.686   1.6452   27.084   1.6967 1.601900 2.363358 
1 1 1   13   15   24 o   32.655   1.0405  1042.59   65.693  1094.97   98.223  1000.20   88.364   33.382   1.5158   31.927   1.4258 1.454765 2.080961 
1 1 1   13   15   25 o   38.101   0.9936  1436.55   72.945  1270.89  104.994  1591.11  101.420   35.928   1.5054   40.274   1.2973 -4.345879 1.987280 
1 1 1   13   15   26 o   17.811   1.7799  327.042   60.188  305.843   93.467  342.060   78.670   17.210   2.7977   18.413   2.2010 -1.202320 3.559768 
1 1 1   13   15   27 o   14.067   2.6875  187.630   77.687  386.235  135.397   90.158   94.854   18.355   3.9192   9.7789   3.6783 8.576403 5.374949 
1 1 1   13   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   16    0 o  130.462   0.9794 16509.40  247.344 16307.64  336.429 16746.76  364.898  129.598   1.3373  131.327   1.4314 -1.729675 1.958877 
1 1 1   13   16    1 o   99.520   0.8061  9613.53  155.542  9570.17  214.645  9661.47  225.711   99.285   1.1137   99.756   1.1656 -0.4711533 1.612133 
1 1 1   13   16    2 o   68.232   0.6385  4519.30   84.483  4513.27  116.917  4525.89  122.214   68.185   0.8833   68.280   0.9221 -0.9469604E-01 1.276908 
1 1 1   13   16    3 o   99.785   0.8039  9665.81  155.674  9608.27  217.316  9726.46  223.110   99.481   1.1253  100.090   1.1483 -0.6093597 1.607808 
1 1 1   13   16    4 o  127.984   0.9294 15889.61  230.772 15442.70  320.103 16373.26  333.002  126.112   1.3076  129.855   1.3211 -3.743546 1.858749 
1 1 1   13   16    5 o   13.906   1.5222  194.492   38.913  209.749   50.765  172.757   60.593   14.695   1.7796   13.118   2.4702 1.577126 3.044498 
1 1 1   13   16    6 o   70.982   0.6717  4891.67   92.553  4934.06  130.831  4849.22  130.949   71.290   0.9454   70.675   0.9545 0.6157379 1.343444 
1 1 1   13   16    7 o   96.251   0.7928  8995.59  148.085  8998.26  207.294  8992.80  211.622   96.266   1.1093   96.236   1.1328 0.3002930E-01 1.585506 
1 1 1   13   16    8 o  111.735   1.0525 12130.02  218.017 12122.67  367.546 12134.01  270.803  111.695   1.6952  111.776   1.2481 -0.8164215E-01 2.105065 
1 1 1   13   16    9 o   81.147   0.7326  6394.23  115.392  6424.01  162.785  6364.15  163.594   81.337   1.0310   80.956   1.0410 0.3801651 1.465151 
1 1 1   13   16   10 o   75.339   0.7138  5511.34  104.379  5580.21  148.225  5443.60  147.012   75.806   1.0073   74.872   1.0115 0.9338531 1.427504 
1 1 1   13   16   11 o  190.594   1.4686 35357.75  531.206 35448.85  683.373 35218.65  844.401  190.948   1.8436  190.240   2.2866 0.7080078 2.937243 
1 1 1   13   16   12 o   56.631   0.6535  3114.96   71.829  3080.02  102.264  3148.98  100.913   56.318   0.9354   56.945   0.9129 -0.6276817 1.307069 
1 1 1   13   16   13 o   74.474   0.7310  5386.93  105.656  5387.26  148.107  5386.58  150.769   74.477   1.0244   74.472   1.0429 0.5615234E-02 1.461914 
1 1 1   13   16   14 o   59.645   0.7005  3455.04   81.089  3464.88  115.932  3445.61  113.464   59.728   0.9999   59.562   0.9813 0.1655312 1.401019 
1 1 1   13   16   15 o   87.329   0.8412  7408.19  142.577  7515.64  203.916  7305.42  199.427   87.948   1.1944   86.710   1.1848 1.237968 1.682387 
1 1 1   13   16   16 o   96.226   0.9079  9000.67  169.583  9074.25  240.487  8927.89  239.170   96.617   1.2822   95.835   1.2856 0.7827225 1.815770 
1 1 1   13   16   17 o   38.617   0.8989  1449.69   67.383  1427.37   94.697  1472.58   95.903   38.316   1.2732   38.919   1.2694 -0.6022949 1.797897 
1 1 1   13   16   18 o   27.187   1.2032  720.706   63.406  758.759   89.161  681.773   90.186   27.917   1.6453   26.457   1.7560 1.459784 2.406355 
1 1 1   13   16   19 o   88.916   0.8846  7689.99  152.673  7671.75  216.772  7707.95  215.063   88.811   1.2574   89.022   1.2445 -0.2112274 1.769146 
1 1 1   13   16   20 o   52.855   0.8304  2720.65   85.063  2679.01  123.314  2758.44  117.493   52.465   1.2108   53.246   1.1367 -0.7807312 1.660796 
1 1 1   13   16   21 f   48.646   0.8279  2297.55   77.984  2396.38  115.243  2214.08  105.918   49.604   1.1968   47.687   1.1442 1.917110 1.655777 
1 1 1   13   16   22 o   43.638   0.9554  1853.94   80.420  1817.19  107.367  1900.92  121.379   43.159   1.2815   44.117   1.4173 -0.9580383 1.910802 
1 1 1   13   16   23 o   9.9586   2.5207   89.083   61.781   86.069   88.430   91.956   86.350   9.8908   3.5807   10.026   3.5489 -0.1356373 5.041412 
1 1 1   13   16   24 o   39.353   0.9328  1508.43   70.739  1593.39  107.853  1444.29   93.712   40.302   1.3786   38.405   1.2570 1.897617 1.865651 
1 1 1   13   16   25 o   14.413   2.3591  222.272   64.654  251.777   95.567  197.371   87.795   15.310   3.3119   13.517   3.3604 1.793209 4.718183 
1 1 1   13   16   26 o   10.373   2.4877  112.090   60.211   90.588   91.411  128.568   80.024   9.8213   3.6272   10.925   3.4056 -1.103357 4.975431 
1 1 1   13   16   27 o   9.2682   2.5223   64.503   67.459  123.860   95.954   6.4962   94.857   10.758   3.7461   7.7784   3.3787 2.979546 5.044645 
1 1 1   13   17    0 o  221.618   1.2986 47673.85  554.928 47427.30  742.173 47986.45  835.698  220.978   1.7302  222.258   1.9370 -1.279724 2.597200 
1 1 1   13   17    1 o  106.448   0.8492 11000.32  175.261 10974.82  241.812 11028.53  254.378  106.319   1.1717  106.577   1.2296 -0.2580948 1.698410 
1 1 1   13   17    2 o   84.866   0.7174  6989.63  118.162  6877.49  164.982  7107.74  169.316   84.168   1.0098   85.565   1.0194 -1.397102 1.434852 
1 1 1   13   17    3 o  123.229   0.9053 14741.77  216.478 14653.83  301.422 14835.45  311.099  122.850   1.2640  123.608   1.2965 -0.7577438 1.810699 
1 1 1   13   17    4 o  308.177   1.4426 92277.96  862.707 92554.88  1205.07 91986.84  1235.61  308.655   2.0113  307.698   2.0687 0.9571533 2.885243 
1 1 1   13   17    5 o  233.887   1.3060 53100.07  592.498 52157.77  819.235 54133.51  857.944  231.716   1.8213  236.058   1.8723 -4.342163 2.612035 
1 1 1   13   17    6 o   64.115   0.6331  3988.87   78.778  3911.02  109.847  4071.31  113.040   63.471   0.8916   64.758   0.8992 -1.287430 1.266286 
1 1 1   13   17    7 o  113.492   1.0690 12503.07  227.486 12547.35  373.979 12477.07  286.607  113.639   1.6953  113.345   1.3026 0.2941971 2.137978 
1 1 1   13   17    8 o  143.896   1.0473 20114.44  292.350 20144.28  421.094 20086.68  406.200  143.997   1.5065  143.795   1.4552 0.2014465 2.094549 
1 1 1   13   17    9 o   68.363   0.6837  4531.84   90.631  4414.47  124.763  4662.98  131.876   67.427   0.9532   69.298   0.9803 -1.871071 1.367364 
1 1 1   13   17   10 o  129.185   1.1094 16323.53  270.503 16689.80  346.504 15751.98  432.841  131.072   1.3619  127.299   1.7516 3.773643 2.218744 
1 1 1   13   17   11 o  176.112   1.1380 30150.99  388.638 29999.26  561.589 30290.44  538.381  175.681   1.6468  176.543   1.5710 -0.8620148 2.275923 
1 1 1   13   17   12 o   58.482   0.6692  3321.93   75.953  3262.35  107.672  3380.93  107.158   57.960   0.9570   59.004   0.9356 -1.044682 1.338329 
1 1 1   13   17   13 o   37.717   0.7606  1384.86   55.539  1491.35   78.166  1276.29   78.926   39.185   1.0276   36.248   1.1217 2.937687 1.521248 
1 1 1   13   17   14 o   76.161   0.7429  5632.44  109.806  5740.30  157.017  5529.19  153.617   76.874   1.0522   75.447   1.0489 1.426643 1.485704 
1 1 1   13   17   15 o   66.819   0.7357  4337.50   95.417  4371.24  134.415  4303.23  135.471   67.081   1.0322   66.556   1.0486 0.5248489 1.471398 
1 1 1   13   17   16 o  103.692   0.9593 10453.33  193.079 10568.77  273.817 10339.18  272.298  104.261   1.3529  103.122   1.3603 1.139610 1.918530 
1 1 1   13   17   17 o   46.129   0.8007  2064.97   71.637  1986.63   98.882  2151.50  103.927   45.210   1.1267   47.048   1.1379 -1.837952 1.601381 
1 1 1   13   17   18 o   31.048   1.0866  942.647   65.173  870.440   94.374  1008.48   90.110   29.900   1.6260   32.195   1.4419 -2.294306 2.173178 
1 1 1   13   17   19 o   35.984   1.0020  1262.68   69.834  1217.96  101.102  1303.47   96.573   35.370   1.4725   36.598   1.3593 -1.228779 2.004036 
1 1 1   13   17   20 o  112.918   1.0508 12429.69  230.298 12449.97  328.553 12410.10  322.901  113.004   1.4978  112.831   1.4743 0.1732330 2.101616 
1 1 1   13   17   21 o   64.907   0.8024  4098.93  101.002  4174.26  146.582  4030.82  139.369   65.471   1.1534   64.343   1.1158 1.127800 1.604792 
1 1 1   13   17   22 o   64.227   0.7952  4018.92   99.054  4047.22  143.415  3993.10  136.975   64.438   1.1465   64.016   1.1023 0.4220657 1.590446 
1 1 1   13   17   23 o   21.591   1.4607  460.806   61.183  439.298   85.852  483.002   87.215   21.072   2.0988   22.109   2.0322 -1.036436 2.921401 
1 1 1   13   17   24 o   52.266   0.8330  2674.48   84.454  2633.93  121.192  2712.77  117.754   51.871   1.2036   52.661   1.1519 -0.7895164 1.666004 
1 1 1   13   17   25 o   57.904   0.8163  3288.94   91.497  3209.69  133.533  3359.07  125.620   57.223   1.2021   58.585   1.1046 -1.361210 1.632569 
1 1 1   13   17   26 o   19.202   1.7836  379.077   66.039  360.125   97.500  395.142   89.767   18.689   2.6876   19.715   2.3457 -1.025810 3.567222 
1 1 1   13   17   27 o   24.443   1.6978  607.124   79.583  565.942  103.482  666.738  124.506   23.518   2.2667   25.368   2.5283 -1.849895 3.395620 
1 1 1   13   18    0 o  117.751   0.9143 13472.25  208.700 13666.34  288.991 13260.70  301.712  118.639   1.2548  116.862   1.3300 1.776665 1.828539 
1 1 1   13   18    1 f   48.214   0.5909  2254.68   55.158  2231.02   75.135  2282.33   81.231   47.940   0.8074   48.488   0.8630 -0.5475731 1.181813 
1 1 1   13   18    2 o   93.646   0.7770  8514.22  141.247  8591.05  199.749  8437.38  199.758   94.068   1.0939   93.223   1.1039 0.8453751 1.554068 
1 1 1   13   18    3 o  120.069   0.9086 13998.19  211.765 14105.75  299.521 13890.69  299.441  120.530   1.2802  119.608   1.2897 0.9227295 1.817176 
1 1 1   13   18    4 o  332.458   1.4776 107377.40  953.312 106721.80  1331.26 108067.50  1365.78  331.420   2.0693  333.496   2.1097 -2.075928 2.955137 
1 1 1   13   18    5 o  125.003   0.9387 15173.07  227.768 15127.28  319.979 15220.11  324.290  124.812   1.3207  125.193   1.3344 -0.3817139 1.877457 
1 1 1   13   18    6 o  194.458   1.3854 36745.20  522.902 36490.93  732.672 37009.16  746.512  193.775   1.9478  195.143   1.9707 -1.368134 2.770852 
1 1 1   13   18    7 o   59.659   0.6348  3456.03   73.473  3468.95  102.399  3442.33  105.483   59.774   0.8825   59.544   0.9126 0.2304420 1.269507 
1 1 1   13   18    8 o   66.234   0.6849  4261.19   88.028  4343.56  123.677  4176.62  125.321   66.884   0.9526   65.585   0.9844 1.298721 1.369804 
1 1 1   13   18    9 o  113.504   1.0190 12487.55  217.193 12403.59  273.933 12629.66  356.408  113.005   1.2488  114.003   1.6105 -0.9976273 2.037943 
1 1 1   13   18   10 o   90.051   0.7788  7872.14  136.099  7723.46  190.011  8028.79  195.034   89.179   1.0976   90.924   1.1050 -1.745247 1.557509 
1 1 1   13   18   11 o   99.144   0.8978  9547.66  172.714  9603.05  248.027  9495.51  240.648   99.422   1.2851   98.866   1.2539 0.5559998 1.795532 
1 1 1   13   18   12 o   75.631   0.7224  5551.36  105.999  5677.68  152.872  5434.39  147.104   76.459   1.0300   74.803   1.0131 1.655258 1.444716 
1 1 1   13   18   13 o   88.620   0.8060  7628.77  138.622  7619.22  193.915  7638.74  198.238   88.564   1.1280   88.675   1.1516 -0.1118393 1.612006 
1 1 1   13   18   14 f   47.442   0.7044  2188.27   64.792  2133.31   93.223  2239.62   90.115   46.864   1.0247   48.020   0.9667 -1.155518 1.408789 
1 1 1   13   18   15 o   34.810   0.8799  1179.79   59.318  1090.06   84.104  1268.61   83.673   33.489   1.2937   36.132   1.1930 -2.642639 1.759828 
1 1 1   13   18   16 o   81.736   0.8279  6484.61  131.276  6242.62  181.962  6747.27  189.577   80.148   1.1696   83.324   1.1721 -3.176369 1.655775 
1 1 1   13   18   17 o   41.882   0.8609  1705.41   69.989  1693.93   99.172  1716.81   98.788   41.741   1.2239   42.023   1.2110 -0.2817307 1.721807 
1 1 1   13   18   18 o   39.150   0.9059  1488.20   68.792  1565.92   99.577  1417.25   95.147   40.127   1.2784   38.174   1.2840 1.952595 1.811875 
1 1 1   13   18   19 o   63.474   0.7809  3917.56   96.214  3932.31  137.126  3903.25  135.032   63.591   1.1109   63.357   1.0979 0.2340126 1.561870 
1 1 1   13   18   20 o   64.345   0.9727  4058.10  116.858  4123.44  147.075  3946.23  192.454   65.088   1.1641   63.602   1.5588 1.485146 1.945479 
1 1 1   13   18   21 o   40.540   0.9344  1597.80   73.355  1669.43  108.335  1537.16   99.683   41.373   1.3489   39.708   1.2932 1.665005 1.868700 
1 1 1   13   18   22 o   34.285   1.0039  1143.36   66.279  1188.44  101.082  1109.36   87.783   34.862   1.4937   33.707   1.3416 1.155853 2.007726 
1 1 1   13   18   23 o   17.901   1.7810  319.097   61.453  329.662   93.154  310.957   81.769   18.135   2.6461   17.666   2.3844 0.4693356 3.561927 
1 1 1   13   18   24 o   31.830   1.1240  996.985   69.301  1023.17  101.915  974.462   94.516   32.206   1.6302   31.455   1.5479 0.7510433 2.248035 
1 1 1   13   18   25 f   24.936   1.3863  629.803   65.499  567.570  101.248  674.594   85.895   23.775   2.1938   26.096   1.6956 -2.320656 2.772695 
1 1 1   13   18   26 f   34.508   1.0930  1184.56   72.779  1135.00  107.562  1226.40   98.841   33.795   1.6396   35.221   1.4457 -1.426022 2.185920 
1 1 1   13   18   27 o   12.998   2.6829  196.288   72.174  178.237  103.448  213.409  100.745   12.411   3.8726   13.584   3.7141 -1.172211 5.365749 
1 1 1   13   19    0 o   74.596   0.6774  5403.38   97.993  5430.83  135.780  5373.53  141.568   74.795   0.9352   74.398   0.9803 0.3964081 1.354795 
1 1 1   13   19    1 o  114.818   0.8925 12798.79  198.505 12778.60  272.033 12821.79  290.314  114.722   1.2215  114.913   1.3015 -0.1909180 1.784934 
1 1 1   13   19    2 o  159.659   1.0548 24754.87  326.896 24796.64  459.582 24712.10  465.068  159.796   1.4816  159.522   1.5019 0.2737885 2.109672 
1 1 1   13   19    3 o  169.861   1.0917 28019.44  359.928 27959.45  504.996 28081.38  513.131  169.676   1.5332  170.045   1.5545 -0.3682098 2.183415 
1 1 1   13   19    4 o   94.917   0.9243  8722.46  163.272  8658.04  203.379  8839.25  273.831   94.432   1.1095   95.403   1.4786 -0.9707642 1.848587 
1 1 1   13   19    5 o   90.950   0.7710  8028.29  136.092  8231.71  194.703  7833.97  190.297   92.076   1.0893   89.824   1.0914 2.252068 1.542000 
1 1 1   13   19    6 o   50.658   0.6151  2493.10   60.446  2415.66   86.096  2568.38   84.883   49.881   0.8892   51.434   0.8502 -1.553226 1.230196 
1 1 1   13   19    7 o   50.753   0.6345  2500.81   62.473  2497.91   86.874  2503.91   89.903   50.722   0.8823   50.783   0.9120 -0.6029892E-01 1.268946 
1 1 1   13   19    8 o   82.422   0.8775  6678.75  134.432  6892.28  168.947  6310.22  221.951   84.249   1.0331   80.596   1.4187 3.652527 1.754935 
1 1 1   13   19    9 o   79.470   0.7228  6124.23  111.376  5957.74  153.264  6310.53  162.128   78.328   1.0080   80.612   1.0361 -2.284630 1.445512 
1 1 1   13   19   10 o   76.156   0.8708  5542.13  122.036  5916.80  212.216  5357.01  149.168   78.039   1.4009   74.272   1.0346 3.766663 1.741528 
1 1 1   13   19   11 o   65.981   0.6914  4227.13   88.548  4268.69  126.535  4187.24  123.956   66.298   0.9832   65.663   0.9725 0.6351700 1.382895 
1 1 1   13   19   12 o   58.112   0.6631  3279.35   74.775  3285.18  107.106  3273.81  104.440   58.162   0.9487   58.062   0.9266 0.9996033E-01 1.326122 
1 1 1   13   19   13 o   41.856   0.7611  1704.47   61.645  1870.02   87.515  1541.43   86.849   43.878   1.0275   39.834   1.1232 4.043900 1.522225 
1 1 1   13   19   14 o   84.008   0.8184  6855.54  133.428  6905.25  191.270  6808.41  186.224   84.304   1.1688   83.712   1.1460 0.5915756 1.636870 
1 1 1   13   19   15 o   60.135   0.7360  3510.52   85.876  3632.83  123.431  3395.77  119.557   61.150   1.0398   59.121   1.0418 2.028854 1.471916 
1 1 1   13   19   16 o   21.000   1.4548  434.194   58.639  368.210   84.303  496.043   81.618   19.431   2.2350   22.570   1.8629 -3.138483 2.909593 
1 1 1   13   19   17 o  123.769   1.1167 14909.57  268.286 14886.84  379.982 14932.16  378.847  123.674   1.5828  123.864   1.5756 -0.1896820 2.233340 
1 1 1   13   19   18 o   57.326   0.7824  3195.44   87.045  3124.98  123.517  3264.95  122.687   56.697   1.1223   57.955   1.0905 -1.258484 1.564867 
1 1 1   13   19   19 o   56.229   0.7887  3074.73   85.810  3077.80  126.538  3072.11  116.760   56.250   1.1589   56.207   1.0701 0.4288864E-01 1.577380 
1 1 1   13   19   20 o   51.300   0.8110  2556.22   80.637  2654.16  118.064  2470.59  110.398   52.216   1.1648   50.383   1.1288 1.833527 1.622006 
1 1 1   13   19   21 f   37.619   0.9696  1382.48   70.604  1357.94  103.285  1404.01   96.735   37.298   1.4266   37.941   1.3134 -0.6438026 1.939119 
1 1 1   13   19   22 o   53.681   0.8084  2799.32   83.913  2923.83  125.269  2697.97  113.017   54.752   1.1786   52.610   1.1066 2.142159 1.616730 
1 1 1   13   19   23 o   27.001   1.2192  711.830   63.490  771.046   96.652  666.884   84.205   27.967   1.7803   26.034   1.6662 1.932650 2.438398 
1 1 1   13   19   24 o   42.204   0.9082  1740.97   74.284  1857.15  108.775  1639.44  101.689   43.518   1.2876   40.890   1.2811 2.628254 1.816391 
1 1 1   13   19   25 o   16.367   2.0310  282.185   62.231  261.872   93.577  298.292   83.327   15.602   3.1973   17.132   2.5056 -1.530715 4.062075 
1 1 1   13   19   26 o   22.920   1.5069  531.196   66.937  527.934   97.243  534.134   92.278   22.825   2.1947   23.014   2.0655 -0.1891651 3.013854 
1 1 1   13   19   27 o   9.2803   2.6052   54.064   76.568  131.925  103.917 -38.4143  113.252   10.967   3.8919   7.5938   3.4644 3.372942 5.210499 
1 1 1   13   20    0 o   83.534   0.7320  6770.96  118.542  6708.51  163.159  6840.78  172.521   83.127   1.0111   83.942   1.0588 -0.8145218 1.464016 
1 1 1   13   20    1 o   87.215   0.7367  7386.02  124.695  7464.67  175.053  7305.00  177.666   87.687   1.0284   86.743   1.0551 0.9434357 1.473408 
1 1 1   13   20    2 o  132.960   0.9738 17154.21  251.190 16829.47  348.163 17506.75  362.760  131.649   1.3624  134.271   1.3918 -2.621567 1.947599 
1 1 1   13   20    3 o   37.520   0.6296  1364.28   45.758  1332.98   62.421  1400.64   67.275   37.055   0.8678   37.984   0.9124 -0.9284134 1.259184 
1 1 1   13   20    4 o  232.556   1.3409 52575.06  602.525 52830.94  815.071 52266.77  894.679  233.192   1.8006  231.919   1.9873 1.273193 2.681706 
1 1 1   13   20    5 o  196.904   1.1949 37668.84  456.670 37678.96  641.335 37658.43  650.417  196.932   1.6777  196.876   1.7019 0.5648804E-01 2.389773 
1 1 1   13   20    6 o  127.241   0.9463 15720.90  233.671 15534.14  326.191 15917.77  334.904  126.466   1.3287  128.016   1.3477 -1.550735 1.892556 
1 1 1   13   20    7 o   63.437   0.6545  3899.02   80.436  3785.19  109.705  4031.34  118.286   62.438   0.9051   64.435   0.9457 -1.997177 1.309034 
1 1 1   13   20    8 o   36.151   0.6967  1267.16   48.849  1222.29   67.464  1316.60   70.824   35.479   0.9796   36.822   0.9908 -1.343189 1.393319 
1 1 1   13   20    9 o   75.360   0.8573  5536.22  120.547  5442.40  199.422  5590.25  151.323   74.848   1.3726   75.873   1.0274 -1.025200 1.714506 
1 1 1   13   20   10 o  111.209   0.8881 12013.80  191.715 12214.30  271.839 11815.39  270.419  112.132   1.2489  110.285   1.2632 1.847389 1.776293 
1 1 1   13   20   11 o  121.132   1.0163 14257.80  238.966 14429.04  340.021 14090.68  335.914  121.851   1.4375  120.413   1.4371 1.437141 2.032661 
1 1 1   13   20   12 o   47.761   0.6839  2217.12   63.333  2172.75   91.249  2258.37   87.974   47.299   0.9938   48.223   0.9398 -0.9244957 1.367815 
1 1 1   13   20   13 o  110.070   0.9535 11765.88  203.637 11499.30  283.013 12052.05  293.230  108.779   1.3403  111.361   1.3565 -2.582024 1.906933 
1 1 1   13   20   14 o   53.723   0.7168  2809.50   74.587  2652.02  106.857  2959.14  104.159   52.249   1.0536   55.196   0.9721 -2.946114 1.433533 
1 1 1   13   20   15 f   63.794   0.7438  3953.19   92.101  4027.44  131.309  3881.29  129.216   64.383   1.0506   63.204   1.0532 1.179150 1.487635 
1 1 1   13   20   16 o   22.763   1.3149  505.125   58.051  516.913   81.056  492.711   83.178   23.038   1.8125   22.488   1.9054 0.5498123 2.629740 
1 1 1   13   20   17 o   31.079   1.0415  941.335   62.666  915.281   91.293  964.549   86.173   30.668   1.5335   31.489   1.4098 -0.8209972 2.083048 
1 1 1   13   20   18 o  103.014   0.9664 10311.50  193.107 10668.95  279.968  9987.11  266.705  104.713   1.3773  101.315   1.3561 3.397415 1.932895 
1 1 1   13   20   19 o   61.853   0.7757  3699.36   92.636  3924.72  139.887  3523.34  123.628   63.516   1.1346   60.190   1.0581 3.326439 1.551386 
1 1 1   13   20   20 o   30.015   1.1096  878.771   64.235  884.176   96.601  874.486   86.003   30.088   1.6540   29.941   1.4797 0.1467171 2.219256 
1 1 1   13   20   21 o   69.770   0.8186  4743.67  110.780  4741.60  159.962  4745.59  153.567   69.750   1.1814   69.791   1.1335 -0.4083252E-01 1.637280 
1 1 1   13   20   22 o   29.919   1.1365  890.041   65.020  755.286   95.193  1007.89   89.023   27.735   1.7681   32.103   1.4285 -4.368227 2.273094 
1 1 1   13   20   23 o   19.561   1.6301  363.958   60.048  519.670   96.180  264.494   76.870   22.862   2.1672   16.259   2.4355 6.602625 3.260141 
1 1 1   13   20   24 o   39.400   0.9535  1526.01   72.289  1506.88  109.300  1540.88   96.380   39.150   1.4382   39.651   1.2522 -0.5003700 1.906942 
1 1 1   13   20   25 o   41.786   0.9351  1709.24   75.484  1803.49  113.504  1634.49  101.075   42.795   1.3663   40.778   1.2769 2.017181 1.870103 
1 1 1   13   20   26 o   8.6403   2.4773   48.639   63.756   51.341  100.787   46.837   82.320   8.9599   3.6595   8.3206   3.3401 0.6392231 4.954638 
1 1 1   13   20   27 o   13.833   3.1167  226.122   95.618  315.328  146.550  159.997  126.174   15.849   4.5343   11.816   4.2772 4.033758 6.233311 
1 1 1   13   21    0 o  191.331   1.2401 35576.75  458.559 35769.98  621.029 35345.10  679.973  191.909   1.6671  190.752   1.8364 1.156860 2.480180 
1 1 1   13   21    1 o   73.478   0.8677  5241.89  123.755  5225.12  173.650  5259.21  176.414   73.358   1.2194   73.597   1.2348 -0.2385483 1.735465 
1 1 1   13   21    2 o   71.974   0.6659  5029.01   93.023  5137.35  131.930  4921.88  131.184   72.745   0.9343   71.203   0.9491 1.542091 1.331802 
1 1 1   13   21    3 o  106.309   0.8410 10973.44  173.540 10946.32  243.610 11001.37  247.276  106.176   1.1820  106.442   1.1968 -0.2660980 1.682040 
1 1 1   13   21    4 o   79.817   0.7129  6182.01  110.424  6391.40  158.172  5982.93  154.230   81.134   1.0043   78.499   1.0121 2.635658 1.425842 
1 1 1   13   21    5 o  146.972   1.0351 20980.71  295.260 20872.87  413.174 21093.25  422.090  146.587   1.4520  147.357   1.4756 -0.7698364 2.070206 
1 1 1   13   21    6 o   86.922   0.7519  7333.57  126.783  7257.86  175.605  7416.01  183.235   86.454   1.0464   87.390   1.0801 -0.9355240 1.503865 
1 1 1   13   21    7 o   54.222   0.6160  2854.72   64.794  2860.47   89.974  2848.51   93.387   54.279   0.8539   54.165   0.8882 0.1143188 1.232095 
1 1 1   13   21    8 o  113.209   0.9153 12449.45  201.150 12407.24  284.662 12491.55  284.278  113.017   1.2975  113.400   1.2914 -0.3837967 1.830669 
1 1 1   13   21    9 o  131.675   1.0298 16844.85  263.195 16763.53  369.224 16928.86  375.279  131.353   1.4481  131.997   1.4646 -0.6445770 2.059606 
1 1 1   13   21   10 f   38.489   0.7176  1439.48   53.516  1331.76   75.251  1549.72   76.123   37.030   1.0469   39.947   0.9817 -2.917011 1.435138 
1 1 1   13   21   11 o   10.240   2.0797  108.560   51.862  172.013   62.787 -27.6921   92.006   13.061   2.5679   7.4187   3.2720 5.642724 4.159327 
1 1 1   13   21   12 o   92.802   0.8217  8363.10  147.986  8519.48  212.032  8214.57  206.640   93.647   1.1664   91.956   1.1576 1.690445 1.643337 
1 1 1   13   21   13 o   97.896   0.8839  9312.30  167.960  9338.31  237.437  9286.25  237.627   98.033   1.2477   97.759   1.2522 0.2740326 1.767706 
1 1 1   13   21   14 o  104.299   0.9266 10571.58  187.583 10697.20  267.536 10450.11  263.085  104.908   1.3137  103.690   1.3071 1.217934 1.853188 
1 1 1   13   21   15 o   62.405   0.7439  3783.27   90.099  3699.44  126.728  3868.95  128.122   61.706   1.0580   63.104   1.0459 -1.398537 1.487713 
1 1 1   13   21   16 o   66.632   0.7722  4313.66   99.868  4218.57  139.906  4412.45  142.603   65.883   1.0939   67.380   1.0903 -1.497177 1.544472 
1 1 1   13   21   17 o   85.526   0.8494  7110.70  141.008  7176.43  201.056  7047.07  197.813   85.915   1.2055   85.138   1.1969 0.7768250 1.698818 
1 1 1   13   21   18 o   29.162   1.0602  823.472   59.524  862.351   91.017  794.416   78.683   29.756   1.5757   28.569   1.4188 1.186735 2.120373 
1 1 1   13   21   19 o   28.644   1.0607  792.721   58.597  861.027   89.210  740.887   77.713   29.716   1.5466   27.572   1.4520 2.143415 2.121330 
1 1 1   13   21   20 o   36.935   0.9172  1340.39   65.122  1230.58   96.552  1432.04   88.206   35.523   1.4002   38.346   1.1850 -2.823315 1.834320 
1 1 1   13   21   21 o   33.990   1.0204  1130.75   67.048  1103.47   98.744  1154.09   91.330   33.598   1.5140   34.383   1.3684 -0.7843361 2.040768 
1 1 1   13   21   22 o   31.165   1.0988  947.206   66.290  1015.38   98.341  890.427   89.745   32.184   1.5741   30.147   1.5336 2.037804 2.197622 
1 1 1   13   21   23 o   57.226   0.8129  3202.59   90.063  3188.87  132.083  3214.52  123.124   57.096   1.1917   57.356   1.1058 -0.2601204 1.625763 
1 1 1   13   21   24 o   28.076   1.1597  782.709   61.617  757.202   97.842  799.473   79.322   27.639   1.8237   28.513   1.4331 -0.8747978 2.319381 
1 1 1   13   21   25 o   38.557   0.9877  1462.38   73.741  1513.12  108.904  1419.42  100.210   39.157   1.4328   37.956   1.3601 1.200787 1.975492 
1 1 1   13   21   26 o   23.163   1.5141  551.722   66.763  494.541  101.363  595.536   88.727   21.972   2.3765   24.353   1.8769 -2.381151 3.028263 
1 1 1   13   21   27 o   20.398   3.3193  458.042  131.429   0.0000   0.0000  458.042  131.429  ?   ?    20.398   3.3193      ?      ? 
1 1 1   13   22    0 o   88.248   0.7391  7559.36  126.589  7478.69  177.132  7643.57  180.977   87.767   1.0397   88.729   1.0507 -0.9619751 1.478162 
1 1 1   13   22    1 o  132.007   0.9599 16920.85  245.958 16694.48  346.307 17151.27  349.387  131.116   1.3606  132.898   1.3543 -1.781982 1.919768 
1 1 1   13   22    2 o  165.775   1.0989 26691.80  353.615 26503.43  498.418 26882.71  501.772  165.186   1.5544  166.364   1.5538 -1.177795 2.197775 
1 1 1   13   22    3 o   35.993   0.6446  1262.04   44.880  1331.12   62.082  1186.40   64.956   37.029   0.8637   34.957   0.9572 2.071762 1.289296 
1 1 1   13   22    4 o  119.788   0.9086 13935.88  211.258 13938.92  296.398 13932.74  301.188  119.802   1.2745  119.774   1.2954 0.2777100E-01 1.817282 
1 1 1   13   22    5 o  161.501   1.1080 25337.22  346.409 25289.51  472.413 25392.71  509.476  161.342   1.5084  161.659   1.6235 -0.3168335 2.216079 
1 1 1   13   22    6 o   53.131   0.6200  2739.50   63.927  2692.91   89.046  2789.05   91.830   52.665   0.8710   53.597   0.8826 -0.9316101 1.240047 
1 1 1   13   22    7 o   53.012   0.6264  2728.29   64.454  2693.65   90.573  2763.84   91.742   52.671   0.8859   53.353   0.8858 -0.6819077 1.252762 
1 1 1   13   22    8 o   95.045   0.8070  8773.52  148.891  8800.32  210.126  8746.50  211.003   95.191   1.1372   94.899   1.1454 0.2919617 1.614032 
1 1 1   13   22    9 o   93.819   0.8122  8548.96  147.887  8563.22  211.182  8535.23  207.165   93.895   1.1586   93.743   1.1384 0.1524048 1.624346 
1 1 1   13   22   10 o   70.744   0.7177  4859.99   98.550  4933.00  140.241  4788.75  138.516   71.269   1.0137   70.219   1.0162 1.049873 1.435354 
1 1 1   13   22   11 o   34.603   0.7898  1159.27   52.891  1294.85   77.028  1038.32   72.754   36.512   1.0868   32.694   1.1464 3.817444 1.579652 
1 1 1   13   22   12 f   89.964   0.8033  7862.24  140.292  7816.26  197.875  7908.71  198.934   89.699   1.1364   90.228   1.1358 -0.5289764 1.606694 
1 1 1   13   22   13 f   37.152   0.8109  1340.34   58.462  1312.94   81.546  1369.31   83.858   36.761   1.1427   37.542   1.1507 -0.7806625 1.621714 
1 1 1   13   22   14 o   49.256   0.7234  2356.51   69.018  2364.67  101.081  2349.39   94.465   49.335   1.0555   49.178   0.9895 0.1566696 1.446809 
1 1 1   13   22   15 o   37.822   0.8484  1391.04   62.247  1365.78   89.187  1415.03   86.919   37.486   1.2257   38.158   1.1734 -0.6720543 1.696819 
1 1 1   13   22   16 o  102.195   0.9553 10156.97  189.508 10231.45  269.099 10083.69  266.924  102.566   1.3516  101.823   1.3504 0.7431335 1.910618 
1 1 1   13   22   17 o   21.755   1.3420  457.496   56.371  499.014   85.245  425.230   75.148   22.622   1.9412   20.887   1.8534 1.735062 2.683927 
1 1 1   13   22   18 o   44.378   0.8050  1922.92   68.777  1850.72  103.059  1980.90   92.351   43.618   1.2172   45.139   1.0540 -1.520626 1.610091 
1 1 1   13   22   19 o   62.241   0.7752  3768.82   93.531  3780.41  136.047  3758.44  128.796   62.328   1.1245   62.155   1.0675 0.1733627 1.550460 
1 1 1   13   22   20 o   34.704   0.9595  1179.39   63.781  1143.19   97.708  1206.27   84.194   34.224   1.4707   35.184   1.2327 -0.9607353 1.919032 
1 1 1   13   22   21 o   12.970   2.3104  172.777   58.356  211.442   86.880  140.995   78.770   14.255   3.2162   11.686   3.3178 2.569094 4.620800 
1 1 1   13   22   22 o   22.941   1.4293  523.544   63.180  477.496   92.291  564.156   86.673   21.955   2.1655   23.927   1.8661 -1.971590 2.858648 
1 1 1   13   22   23 o   9.9224   2.4924   92.168   61.239   63.782   91.454  115.242   82.453   9.2223   3.5759   10.623   3.4730 -1.400346 4.984816 
1 1 1   13   22   24 o   17.147   1.8039  292.620   59.393  334.615   92.702  263.380   77.354   18.149   2.6314   16.145   2.4682 2.003956 3.607795 
1 1 1   13   22   25 o   19.079   1.8144  367.073   66.009  475.136   99.664  282.627   88.103   21.614   2.3754   16.544   2.7433 5.069757 3.628789 
1 1 1   13   22   26 o   17.754   1.9649  327.060   67.254  356.271  102.609  305.060   89.048   18.397   2.8732   17.110   2.6810 1.287094 3.929772 
1 1 1   13   23    0 o   64.359   0.6310  4021.44   78.815  4030.51  110.323  4011.98  112.636   64.434   0.8820   64.285   0.9026 0.1486282 1.262028 
1 1 1   13   23    1 o   80.131   0.7002  6231.09  108.884  6113.42  151.740  6356.00  156.334   79.352   0.9851   80.911   0.9954 -1.558784 1.400415 
1 1 1   13   23    2 o  159.245   1.0835 24633.24  334.911 24893.78  474.140 24373.82  473.134  160.085   1.5258  158.404   1.5387 1.681793 2.166926 
1 1 1   13   23    3 o  172.818   1.1345 29017.35  380.477 29069.83  531.598 28962.23  544.797  172.980   1.5832  172.655   1.6255 0.3248749 2.269062 
1 1 1   13   23    4 o   43.130   0.6324  1808.69   52.864  1894.77   74.102  1719.48   75.438   44.177   0.8641   42.083   0.9235 2.093945 1.264705 
1 1 1   13   23    5 o   51.397   0.6189  2566.25   61.699  2673.86   87.117  2457.95   87.396   52.479   0.8552   50.315   0.8948 2.164104 1.237739 
1 1 1   13   23    6 o  131.150   1.0527 16694.10  267.653 17031.87  390.128 16393.74  367.887  132.400   1.5179  129.901   1.4589 2.498795 2.105384 
1 1 1   13   23    7 o   79.930   0.7309  6204.12  113.403  6214.29  161.161  6194.14  159.603   79.995   1.0378   79.866   1.0295 0.1294250 1.461824 
1 1 1   13   23    8 f   75.554   0.7254  5541.01  106.369  5435.83  148.407  5652.12  152.534   74.817   1.0218   76.291   1.0300 -1.473671 1.450873 
1 1 1   13   23    9 o  136.565   1.0413 18121.20  275.983 17975.75  385.499 18274.13  395.283  136.005   1.4602  137.126   1.4850 -1.121185 2.082622 
1 1 1   13   23   10 o   88.743   0.7884  7636.58  135.699  7320.12  187.302  7986.21  196.871   86.811   1.1115   90.675   1.1185 -3.863251 1.576830 
1 1 1   13   23   11 o   56.160   0.6767  3062.82   73.771  3049.29  103.709  3076.68  104.959   56.034   0.9535   56.285   0.9606 -0.2509193 1.353475 
1 1 1   13   23   12 o  120.201   0.9744 14038.13  227.322 13794.21  318.196 14292.40  324.871  119.135   1.3759  121.267   1.3801 -2.131775 1.948787 
1 1 1   13   23   13 o   77.471   0.7902  5829.03  118.808  5708.64  166.297  5954.54  169.798   76.654   1.1176   78.288   1.1173 -1.633522 1.580315 
1 1 1   13   23   14 o   69.405   0.7542  4681.29  101.572  4639.49  145.206  4721.34  142.132   69.100   1.0825   69.709   1.0503 -0.6091309 1.508343 
1 1 1   13   23   15 o   35.848   0.8779  1249.47   61.073  1222.36   86.531  1276.38   86.212   35.460   1.2571   36.236   1.2256 -0.7764206 1.755705 
1 1 1   13   23   16 o   49.264   0.7732  2359.90   73.868  2489.83  104.698  2231.11  104.233   50.617   1.0656   47.911   1.1207 2.705162 1.546439 
1 1 1   13   23   17 o   73.996   0.7916  5322.99  113.617  5320.85  163.973  5324.96  157.577   73.979   1.1418   74.012   1.0968 -0.3336334E-01 1.583254 
1 1 1   13   23   18 o   44.748   0.8206  1958.98   70.496  1865.82  106.511  2031.60   94.042   43.787   1.2531   45.708   1.0599 -1.920906 1.641225 
1 1 1   13   23   19 o   47.404   0.8016  2187.07   73.358  2187.87  109.647  2186.43   98.701   47.405   1.1915   47.403   1.0726 0.1876831E-02 1.603211 
1 1 1   13   23   20 o   70.513   0.8072  4838.55  110.259  4915.81  161.713  4771.44  150.725   71.031   1.1728   69.994   1.1093 1.036804 1.614339 
1 1 1   13   23   21 o   29.712   1.0726  875.031   60.202  809.895   94.874  918.937   77.892   28.744   1.7003   30.680   1.3079 -1.935543 2.145152 
1 1 1   13   23   22 o   35.820   0.9989  1262.29   69.007  1205.91  102.216  1309.50   93.541   35.060   1.5019   36.580   1.3173 -1.519783 1.997763 
1 1 1   13   23   23 o   29.827   1.1652  900.227   65.605  693.397   95.744  1083.29   90.074   26.446   1.8650   33.209   1.3973 -6.762793 2.330407 
1 1 1   13   23   24 o   29.933   1.1546  886.631   66.319  883.361  101.613  889.058   87.531   29.842   1.7541   30.025   1.5018 -0.1824074 2.309200 
1 1 1   13   23   25 o   10.135   2.3237   96.800   61.884 -13.7631   93.841  181.885   82.322   7.4162   3.2859   12.854   3.2865 -5.437371 4.647436 
1 1 1   13   23   26 o   19.507   1.8220  398.159   68.054  376.705  103.127  414.709   90.576   18.916   2.8085   20.097   2.3217 -1.181194 3.643918 
1 1 1   13   24    0 o  188.175   1.1678 34400.40  426.552 34374.35  599.993 34427.02  606.531  188.104   1.6432  188.246   1.6598 -0.1422882 2.335597 
1 1 1   13   24    1 o  137.948   0.9864 18473.32  264.057 18958.18  378.541 18013.78  368.526  139.710   1.3958  136.186   1.3940 3.524139 1.972702 
1 1 1   13   24    2 o   95.041   0.7777  8764.32  143.407  8576.19  198.826  8968.32  207.039   93.979   1.0899   96.102   1.1098 -2.123650 1.555486 
1 1 1   13   24    3 o  110.083   0.8656 11767.68  184.864 11730.13  257.010 11807.93  266.100  109.902   1.2047  110.263   1.2432 -0.3617020 1.731160 
1 1 1   13   24    4 o   48.545   0.7094  2296.11   65.500  2248.18  102.995  2328.65   84.874   48.116   1.1027   48.973   0.8928 -0.8578644 1.418828 
1 1 1   13   24    5 o   88.465   0.7608  7599.06  130.628  7564.39  182.670  7635.34  186.874   88.259   1.0662   88.671   1.0857 -0.4121246 1.521676 
1 1 1   13   24    6 o   80.969   0.7230  6365.07  113.623  6451.12  162.236  6282.23  159.182   81.506   1.0254   80.432   1.0195 1.073822 1.445986 
1 1 1   13   24    7 o   85.292   0.7486  7063.35  123.910  7014.76  173.001  7114.54  177.558   84.991   1.0486   85.592   1.0687 -0.6014709 1.497200 
1 1 1   13   24    8 o   65.565   0.6750  4172.43   85.889  4069.22  119.955  4281.01  123.035   64.734   0.9546   66.397   0.9546 -1.663200 1.350007 
1 1 1   13   24    9 o   57.526   0.6615  3210.83   73.814  3392.76  105.961  3039.32  102.886   59.108   0.9235   55.944   0.9474 3.164242 1.323037 
1 1 1   13   24   10 o   82.507   0.7814  6611.48  125.143  6677.23  178.206  6547.50  175.777   82.911   1.1072   82.102   1.1029 0.8091507 1.562828 
1 1 1   13   24   11 o   27.046   0.9350  709.094   48.985  685.572   66.742  736.562   72.122   26.562   1.2944   27.531   1.3495 -0.9687347 1.869943 
1 1 1   13   24   12 o  128.259   1.0785 15992.92  268.501 16113.46  381.927 15875.13  377.548  128.736   1.5283  127.782   1.5221 0.9547272 2.156965 
1 1 1   13   24   13 o   76.987   0.7642  5758.29  114.204  5783.58  161.869  5733.22  161.151   77.156   1.0808   76.819   1.0807 0.3366623 1.528377 
1 1 1   13   24   14 f   38.760   0.7907  1458.46   59.403  1483.83   86.754  1436.07   81.509   39.076   1.1437   38.444   1.0922 0.6320229 1.581446 
1 1 1   13   24   15 o   70.679   0.7695  4853.04  105.549  4760.05  147.401  4950.89  151.209   69.985   1.0850   71.373   1.0914 -1.388603 1.538945 
1 1 1   13   24   16 o  102.538   0.9536 10225.08  189.789 10348.49  270.236 10104.97  266.605  103.149   1.3496  101.928   1.3474 1.220535 1.907113 
1 1 1   13   24   17 o   21.671   1.3155  453.283   55.003  501.026   83.613  416.862   73.029   22.665   1.9005   20.678   1.8194 1.986864 2.630972 
1 1 1   13   24   18 o   41.273   0.8354  1663.48   66.430  1606.29   99.302  1709.80   89.372   40.622   1.2593   41.925   1.0982 -1.303143 1.670874 
1 1 1   13   24   19 o   66.226   0.7823  4261.39  100.390  4389.14  147.248  4150.43  137.227   67.148   1.1297   65.304   1.0825 1.843582 1.564604 
1 1 1   13   24   20 o   45.492   0.8207  2019.91   72.023  1986.38  107.530  2047.20   96.994   45.138   1.2272   45.845   1.0899 -0.7074661 1.641320 
1 1 1   13   24   21 f   30.604   1.0404  911.513   61.229  950.327   94.017  882.926   80.685   31.153   1.5547   30.056   1.3829 1.097488 2.080743 
1 1 1   13   24   22 o   18.149   1.6852  328.760   58.510  330.011   90.770  327.870   76.531   18.135   2.5784   18.163   2.1706 -0.2776718E-01 3.370395 
1 1 1   13   24   23 o   40.717   0.9201  1629.89   72.446  1576.01  106.151  1676.86   99.117   40.064   1.3649   41.369   1.2343 -1.305340 1.840207 
1 1 1   13   24   24 o   7.0648   2.2391 -32.2509   63.179   0.7314   96.225 -57.2443   83.764   7.8353   3.4032   6.2942   2.9107 1.541079 4.478163 
1 1 1   13   24   25 o   17.940   1.7650  316.493   60.165  418.373   96.767  252.290   76.818   20.207   2.4669   15.672   2.5250 4.535017 3.530061 
1 1 1   13   24   26 o   15.548   2.2991  272.249   67.857  225.159  101.548  310.240   91.211   13.932   3.6946   17.164   2.7375 -3.232671 4.598287 
1 1 1   13   25    0 o  110.384   0.9763 11853.27  204.226 11750.54  325.641 11919.87  262.199  109.980   1.5253  110.788   1.2192 -0.8076019 1.952692 
1 1 1   13   25    1 o  103.486   0.8231 10400.31  165.336 10549.10  234.082 10252.19  233.559  104.225   1.1570  102.747   1.1710 1.477859 1.646173 
1 1 1   13   25    2 o  156.976   1.0567 23938.57  321.924 23921.08  450.422 23956.83  460.276  156.919   1.4787  157.033   1.5099 -0.1141663 2.113406 
1 1 1   13   25    3 o  141.614   1.0089 19480.64  277.317 19431.95  388.752 19531.09  395.711  141.434   1.4160  141.793   1.4377 -0.3584747 2.017880 
1 1 1   13   25    4 o   86.470   0.7544  7258.04  126.555  7188.28  175.486  7333.65  182.683   86.038   1.0507   86.902   1.0829 -0.8642960 1.508897 
1 1 1   13   25    5 o   51.159   0.6099  2540.57   60.539  2522.24   84.216  2560.16   87.087   50.968   0.8512   51.350   0.8737 -0.3812599 1.219772 
1 1 1   13   25    6 o   41.922   0.6546  1706.40   53.269  1673.70   75.055  1739.58   75.615   41.517   0.9313   42.327   0.9203 -0.8094711 1.309287 
1 1 1   13   25    7 o   99.516   0.8540  9619.68  164.969  9715.39  233.286  9523.95  233.316  100.012   1.2016   99.021   1.2138 0.9910355 1.708009 
1 1 1   13   25    8 o  102.575   0.8490 10222.03  169.009 10166.08  241.178 10276.01  236.910  102.298   1.2145  102.852   1.1866 -0.5536575 1.697967 
1 1 1   13   25    9 o   40.575   0.7069  1598.87   55.675  1613.67   78.812  1584.14   78.662   40.762   0.9960   40.387   1.0034 0.3748665 1.413786 
1 1 1   13   25   10 o   79.116   0.7559  6079.21  116.081  6041.25  162.900  6118.37  165.456   78.865   1.0641   79.367   1.0739 -0.5012131 1.511816 
1 1 1   13   25   11 o   76.882   0.7473  5741.38  111.520  5801.46  158.050  5681.80  157.379   77.282   1.0535   76.481   1.0601 0.8014679 1.494540 
1 1 1   13   25   12 o   60.296   0.6838  3531.24   79.996  3530.65  114.832  3531.79  111.503   60.290   0.9812   60.301   0.9526 -0.1109695E-01 1.367515 
1 1 1   13   25   13 o   43.928   0.9194  1894.61   74.383  1815.32  125.762  1937.27   92.248   43.203   1.4996   44.653   1.0642 -1.450336 1.838850 
1 1 1   13   25   14 f  107.035   0.9791 11139.24  203.416 11002.70  286.654 11277.75  288.705  106.374   1.3882  107.697   1.3810 -1.322388 1.958122 
1 1 1   13   25   15 o   59.656   0.7497  3458.27   86.817  3428.59  122.123  3488.60  123.442   59.397   1.0592   59.915   1.0614 -0.5174179 1.499444 
1 1 1   13   25   16 o   31.329   0.9766  954.644   59.340  959.932   85.896  949.816   82.072   31.411   1.4088   31.248   1.3530 0.1630116 1.953285 
1 1 1   13   25   17 o   8.5504   2.3303   47.976   54.647   37.212   82.277   56.472   73.099   8.4329   3.3547   8.6680   3.2352 -0.2350903 4.660514 
1 1 1   13   25   18 o   74.059   0.8024  5337.92  115.264  5320.01  166.161  5354.53  160.028   73.935   1.1577   74.183   1.1113 -0.2473602 1.604785 
1 1 1   13   25   19 o   35.494   0.9593  1220.69   65.877  1326.05   98.157  1134.35   88.863   36.877   1.3712   34.110   1.3421 2.766232 1.918683 
1 1 1   13   25   20 o   62.318   0.7811  3780.43   94.413  3862.89  136.853  3705.53  130.421   62.963   1.1197   61.674   1.0894 1.289307 1.562208 
1 1 1   13   25   21 o   33.542   0.9796  1094.09   63.142  1143.83   97.289  1057.89   82.997   34.182   1.4662   32.903   1.2995 1.278839 1.959186 
1 1 1   13   25   22 o   25.511   1.2027  638.623   58.339  656.585   92.874  626.917   74.977   25.768   1.8567   25.254   1.5294 0.5139713 2.405494 
1 1 1   13   25   23 o   49.477   0.8418  2405.19   80.495  2295.94  117.863  2500.68  110.197   48.397   1.2546   50.558   1.1228 -2.161377 1.683665 
1 1 1   13   25   24 o   26.162   1.2949  675.211   65.375  746.987   99.247  620.197   86.889   27.364   1.8684   24.960   1.7933 2.403606 2.589739 
1 1 1   13   25   25 o   10.286   2.4674  112.830   60.221   70.533   97.728  138.723   76.463   9.3404   3.6749   11.231   3.2935 -1.890623 4.934764 
1 1 1   13   25   26 o   6.8289   2.2329 -55.7498   70.308 -186.6882  130.666  -2.3916   83.412   6.5433   3.1879   7.1144   3.1274 -0.5711288 4.465829 
1 1 1   13   26    0 o   63.142   0.6213  3863.97   76.078  3710.15  104.842  4035.06  110.565   61.817   0.8737   64.467   0.8835 -2.649738 1.242565 
1 1 1   13   26    1 o   97.023   0.7952  9141.11  149.739  9342.36  212.518  8942.69  211.016   98.084   1.1162   95.962   1.1328 2.121727 1.590309 
1 1 1   13   26    2 f   97.988   0.9226  9339.48  169.289  9377.51  213.206  9274.61  278.484   98.267   1.1177   97.708   1.4683 0.5595932 1.845283 
1 1 1   13   26    3 o   61.850   0.6259  3706.69   75.065  3539.75  103.370  3892.95  109.183   60.380   0.8819   63.321   0.8883 -2.940624 1.251733 
1 1 1   13   26    4 o  153.436   1.0775 22876.54  320.918 22970.14  451.498 22780.96  456.232  153.755   1.5127  153.118   1.5350 0.6369171 2.155097 
1 1 1   13   26    5 o  152.025   1.0507 22454.75  310.032 22360.51  434.654 22552.35  442.349  151.702   1.4760  152.349   1.4958 -0.6471863 2.101395 
1 1 1   13   26    6 o   80.388   0.7258  6274.68  113.230  6240.86  158.275  6310.13  162.054   80.166   1.0171   80.609   1.0356 -0.4429169 1.451553 
1 1 1   13   26    7 o   38.542   0.6974  1443.89   52.129  1400.83   74.603  1484.98   72.872   37.979   1.0119   39.104   0.9600 -1.125172 1.394833 
1 1 1   13   26    8 o   11.540   2.0203  135.082   44.968  133.173   65.615  136.773   61.749   11.467   2.9354   11.613   2.7768 -0.1459856 4.040689 
1 1 1   13   26    9 o   75.556   0.7241  5545.12  106.190  5595.76  149.355  5493.35  151.010   75.905   1.0136   75.206   1.0344 0.6987839 1.448251 
1 1 1   13   26   10 o   12.580   2.0033  160.678   47.718  156.592   68.946  164.436   66.110   12.419   2.9106   12.741   2.7534 -0.3211966 4.006635 
1 1 1   13   26   11 o   55.143   0.6860  2954.87   73.392  3016.52  102.805  2890.79  104.807   55.730   0.9503   54.555   0.9897 1.175381 1.372043 
1 1 1   13   26   12 o   23.482   1.1238  544.209   50.434  449.475   72.995  630.741   69.764   21.493   1.7496   25.471   1.4109 -3.978777 2.247641 
1 1 1   13   26   13 o   65.314   0.7333  4135.74   92.868  4351.58  135.176  3942.80  127.804   66.925   1.0405   63.704   1.0335 3.220432 1.466560 
1 1 1   13   26   14 o   30.374   0.9507  896.897   55.976  901.812   81.472  892.502   77.037   30.451   1.3783   30.296   1.3099 0.1546421 1.901464 
1 1 1   13   26   15 o   34.218   0.9107  1141.63   60.326  1201.07   83.788  1077.67   86.927   35.148   1.2281   33.288   1.3453 1.860126 1.821494 
1 1 1   13   26   16 o   42.344   0.7824  1746.78   64.169  1657.97   92.198  1830.21   89.364   41.295   1.1502   43.393   1.0609 -2.097523 1.564736 
1 1 1   13   26   17 o   53.984   0.7356  2832.67   77.048  2860.71  110.939  2806.54  107.087   54.240   1.0537   53.727   1.0268 0.5135002 1.471212 
1 1 1   13   26   18 o   62.786   0.7655  3835.32   93.285  3867.21  133.029  3804.46  130.850   63.043   1.0870   62.530   1.0780 0.5122604 1.530926 
1 1 1   13   26   19 o   32.864   1.0170  1054.43   64.854  1039.22   92.643  1069.06   90.821   32.628   1.4627   33.099   1.4135 -0.4713936 2.034088 
1 1 1   13   26   20 o   22.163   1.4015  482.240   59.910  559.215   86.777  412.139   82.812   23.865   1.8732   20.460   2.0851 3.405354 2.802912 
1 1 1   13   26   21 o   49.989   0.8114  2440.13   78.679  2425.93  113.295  2453.36  109.349   49.842   1.1710   50.135   1.1236 -0.2930222 1.622843 
1 1 1   13   26   22 o   26.257   1.1932  693.713   59.122  613.575   91.933  750.228   77.204   24.879   1.9036   27.634   1.4392 -2.755264 2.386427 
1 1 1   13   26   23 o   24.408   1.3067  604.379   59.962  530.038   93.835  655.685   77.954   23.033   2.0987   25.784   1.5575 -2.750742 2.613487 
1 1 1   13   26   24 o   30.636   1.1470  932.152   67.832  919.923  101.005  942.199   91.549   30.416   1.7107   30.857   1.5284 -0.4405727 2.294019 
1 1 1   13   26   25 o   25.164   1.3355  634.151   65.061  668.001   96.375  605.806   88.189   25.761   1.9273   24.567   1.8493 1.193630 2.670985 
1 1 1   13   26   26 o   19.881   1.8989  418.405   73.057  394.935  105.113  440.338  101.613   19.263   2.8110   20.499   2.5536 -1.235506 3.797760 
1 1 1   13   27    0 o   31.785   0.6325  983.169   38.839  1005.87   52.757  956.301   57.389   32.188   0.8444   31.383   0.9420 0.8043575 1.265053 
1 1 1   13   27    1 o   66.841   0.7469  4375.28   93.746  4490.04  119.238  4189.52  151.703   68.003   0.9033   65.679   1.1899 2.323837 1.493886 
1 1 1   13   27    2 o   37.399   0.6205  1358.15   45.033  1404.99   63.876  1311.85   63.500   38.040   0.8650   36.757   0.8899 1.282974 1.241065 
1 1 1   13   27    3 o   37.500   0.6424  1365.05   46.753  1342.02   65.492  1388.98   66.764   37.177   0.9075   37.822   0.9093 -0.6447716 1.284708 
1 1 1   13   27    4 o   35.191   0.6776  1205.24   46.181  1279.74   64.659  1127.66   65.980   36.304   0.9175   34.077   0.9974 2.226543 1.355249 
1 1 1   13   27    5 o  166.493   1.1224 26936.57  362.697 26832.66  507.927 27044.68  518.085  166.168   1.5747  166.820   1.5999 -0.6518860 2.244823 
1 1 1   13   27    6 o   53.312   0.8352  2828.96   80.784  2966.27   99.440  2562.45  138.540   55.269   0.9269   51.354   1.3897 3.915100 1.670462 
1 1 1   13   27    7 o   29.029   0.8551  818.795   47.950  928.669   68.879  715.482   66.791   30.920   1.1476   27.138   1.2679 3.782467 1.710117 
1 1 1   13   27    8 o  142.098   1.0739 19622.21  296.185 19403.68  414.582 19850.00  423.290  141.292   1.5116  142.905   1.5259 -1.613815 2.147839 
1 1 1   13   27    9 o   70.818   0.7109  4867.44   97.690  4735.68  135.954  5008.10  140.466   69.828   1.0030   71.808   1.0077 -1.980110 1.421776 
1 1 1   13   27   10 o   58.904   0.6856  3369.48   78.389  3415.21  111.569  3324.90  110.162   59.299   0.9692   58.510   0.9699 0.7893028 1.371201 
1 1 1   13   27   11 o   65.451   0.7164  4162.20   90.992  4236.58  128.045  4086.32  129.328   66.042   0.9988   64.859   1.0272 1.183167 1.432734 
1 1 1   13   27   12 f   77.586   0.7667  5847.19  115.444  5923.21  165.310  5774.82  161.288   78.078   1.0907   77.095   1.0777 0.9832153 1.533345 
1 1 1   13   27   13 o   87.484   0.8440  7434.18  143.286  7292.44  199.468  7585.30  205.961   86.623   1.1862   88.344   1.2010 -1.720802 1.688063 
1 1 1   13   27   14 o  124.708   1.1154 15135.16  269.987 15330.60  384.460 14945.00  379.234  125.502   1.5781  123.914   1.5766 1.588043 2.230711 
1 1 1   13   27   15 o   13.685   2.0937  190.812   54.025  176.841   76.549  204.678   76.259   13.167   3.0542   14.204   2.8646 -1.037341 4.187358 
1 1 1   13   27   16 o   24.464   1.1660  581.562   54.939  594.819   83.495  571.441   72.957   24.704   1.7411   24.224   1.5515 0.4799614 2.332076 
1 1 1   13   27   17 o   62.227   0.7611  3766.34   91.899  3766.41  131.768  3766.28  128.233   62.226   1.0909   62.228   1.0616 -0.2563477E-02 1.522148 
1 1 1   13   27   18 o   89.441   0.8845  7792.22  153.563  7799.60  217.495  7784.89  216.847   89.483   1.2521   89.399   1.2495 0.8377838E-01 1.768943 
1 1 1   13   27   19 o   44.601   0.8455  1936.12   73.131  2062.00  105.441  1819.42  101.517   45.999   1.1809   43.204   1.2105 2.794777 1.691048 
1 1 1   13   27   20 o   74.084   0.8138  5348.22  116.981  5486.45  168.406  5219.33  162.617   75.007   1.1566   73.162   1.1450 1.845268 1.627536 
1 1 1   13   27   21 o   29.137   1.0913  833.727   61.701  839.302   86.314  827.903   88.235   29.242   1.5206   29.033   1.5656 0.2089958 2.182520 
1 1 1   13   27   22 o   8.6937   2.3685   54.797   58.190   13.410   89.588   85.000   76.531   7.9120   3.3569   9.4754   3.3424 -1.563376 4.737094 
1 1 1   13   27   23 o   43.935   0.8558  1890.22   72.542  1919.34  109.124  1867.17   97.104   44.214   1.2714   43.656   1.1458 0.5581932 1.711572 
1 1 1   13   27   24 o   58.740   0.8139  3380.33   92.476  3473.64  137.406  3303.08  125.030   59.456   1.1905   58.024   1.1100 1.431568 1.627754 
1 1 1   13   27   25 o   23.902   1.4621  571.406   67.358  659.537  102.622  504.696   89.283   25.495   2.0736   22.308   2.0618 3.187208 2.924152 
1 1 1   13   28    0 o   22.597   0.8683  492.209   37.534  475.109   48.703  517.221   58.902   22.118   1.1343   23.075   1.3150 -0.9570923 1.736624 
1 1 1   13   28    1 o   42.481   0.6025  1750.53   49.651  1711.33   68.678  1793.45   71.864   41.983   0.8427   42.978   0.8614 -0.9951134 1.205040 
1 1 1   13   28    2 o   89.160   0.7603  7719.33  131.578  7658.08  184.956  7782.10  187.223   88.802   1.0730   89.517   1.0774 -0.7159271 1.520553 
1 1 1   13   28    3 o   68.155   0.8274  4453.78  100.676  4367.34  120.097  4658.10  184.649   67.066   0.9225   69.245   1.3737 -2.178909 1.654715 
1 1 1   13   28    4 f   79.301   0.7264  6106.19  111.810  6151.43  159.499  6062.48  156.783   79.589   1.0324   79.012   1.0222 0.5771408 1.452826 
1 1 1   13   28    5 o   26.016   0.8956  655.574   45.141  687.921   66.410  627.793   61.545   26.610   1.2856   25.422   1.2472 1.188850 1.791162 
1 1 1   13   28    6 o   81.748   0.7691  6490.67  122.006  6485.03  170.452  6496.59  174.712   81.712   1.0746   81.784   1.1005 -0.7139587E-01 1.538148 
1 1 1   13   28    7 o   58.841   0.8545  3390.64   90.477  3437.09  109.504  3290.68  160.617   59.492   0.9482   58.191   1.4219 1.301022 1.709071 
1 1 1   13   28    8 o   17.070   1.4444  284.952   47.264  230.434   66.034  342.221   67.679   15.384   2.2112   18.757   1.8588 -3.372401 2.888705 
1 1 1   13   28    9 o   96.280   0.8629  9004.75  161.261  9173.53  229.776  8840.92  226.376   97.169   1.2182   95.391   1.2225 1.778168 1.725836 
1 1 1   13   28   10 o   64.888   0.7182  4089.36   90.459  4125.85  128.721  4053.76  127.151   65.174   1.0174   64.602   1.0139 0.5716858 1.436402 
1 1 1   13   28   11 o   18.273   1.4182  327.767   49.896  289.743   72.163  362.595   69.065   17.245   2.1557   19.301   1.8434 -2.056425 2.836380 
1 1 1   13   28   12 o   46.648   0.7163  2115.56   64.811  2058.95   92.623  2169.86   90.719   46.035   1.0365   47.261   0.9889 -1.225754 1.432533 
1 1 1   13   28   13 o   42.469   0.7922  1750.72   65.260  1656.15   90.703  1852.22   93.966   41.281   1.1319   43.657   1.1088 -2.376434 1.584493 
1 1 1   13   28   14 o   39.373   0.8489  1507.11   64.880  1499.94   91.956  1514.22   91.553   39.280   1.2060   39.467   1.1950 -0.1871185 1.697790 
1 1 1   13   28   15 o   63.738   0.7485  3947.53   92.591  3869.36  129.767  4028.59  132.153   63.095   1.0595   64.381   1.0574 -1.285271 1.496908 
1 1 1   13   28   16 o   68.457   0.7652  4556.69  101.683  4556.02  144.143  4557.35  143.463   68.452   1.0848   68.463   1.0795 -0.1058960E-01 1.530377 
1 1 1   13   28   17 o   81.652   0.8303  6486.55  131.570  6326.53  184.069  6653.71  188.132   80.622   1.1761   82.681   1.1722 -2.059212 1.660513 
1 1 1   13   28   18 o   40.692   0.8682  1613.18   68.572  1638.45   97.008  1587.94   96.942   41.011   1.2185   40.372   1.2370 0.6393929 1.736379 
1 1 1   13   28   19 o   64.724   0.7757  4080.04   97.427  4035.54  135.955  4127.02  139.688   64.363   1.0882   65.084   1.1056 -0.7215424 1.551309 
1 1 1   13   28   20 o   53.435   0.7847  2780.75   81.333  2933.99  117.339  2639.04  112.837   54.852   1.1020   52.018   1.1175 2.833500 1.569444 
1 1 1   13   28   21 o   22.322   1.4047  497.302   60.096  407.294   84.844  587.927   85.134   20.239   2.1596   24.406   1.7970 -4.167091 2.809448 
1 1 1   13   28   22 o   36.757   0.9577  1329.13   67.845  1301.37  101.617  1351.45   91.131   36.383   1.4388   37.130   1.2644 -0.7474442 1.915411 
1 1 1   13   28   23 o   23.498   1.3125  546.466   59.289  575.151   91.304  525.552   77.961   23.993   1.9603   23.003   1.7459 0.9899654 2.625096 
1 1 1   13   28   24 o   11.163   2.3840  139.868   57.641   93.230   92.770  169.194   73.564   9.8756   3.6527   12.450   3.0645 -2.574226 4.768005 
1 1 1   13   28   25 o   12.277   2.5790  171.205   65.495  191.089   99.921  156.227   86.723   12.827   3.7659   11.727   3.5246 1.100182 5.157982 
1 1 1   13   29    0 o  109.177   0.8557 11577.60  181.336 11642.08  256.155 11512.83  256.741  109.482   1.2053  108.872   1.2148 0.6100464 1.711301 
1 1 1   13   29    1 o   44.147   0.5958  1888.16   50.974  1823.76   69.728  1962.08   74.706   43.340   0.8288   44.953   0.8561 -1.613022 1.191564 
1 1 1   13   29    2 o   42.223   0.6139  1730.95   50.312  1702.70   70.987  1759.47   71.318   41.876   0.8733   42.569   0.8631 -0.6926003 1.227785 
1 1 1   13   29    3 o   25.103   0.8603  611.901   41.918  624.319   59.942  600.017   58.641   25.353   1.2180   24.854   1.2154 0.4982891 1.720698 
1 1 1   13   29    4 o   56.261   0.6327  3071.57   69.079  3178.66   99.072  2970.24   96.369   57.215   0.8920   55.307   0.8976 1.907623 1.265480 
1 1 1   13   29    5 o   42.698   0.6467  1768.80   53.538  1739.81   73.655  1801.27   77.958   42.328   0.8964   43.068   0.9325 -0.7403603 1.293471 
1 1 1   13   29    6 o   23.573   0.9837  539.904   45.006  544.070   64.432  535.934   62.890   23.662   1.4028   23.485   1.3795 0.1771088 1.967470 
1 1 1   13   29    7 f   79.225   0.7400  6094.02  113.776  6002.96  158.710  6190.29  163.191   78.617   1.0400   79.833   1.0530 -1.216537 1.480020 
1 1 1   13   29    8 o   83.782   0.7867  6818.56  127.941  6851.21  181.405  6786.24  180.471   83.982   1.1128   83.583   1.1123 0.3991394 1.573359 
1 1 1   13   29    9 o  104.368   0.8860 10584.27  179.498 10552.39  253.474 10616.34  254.225  104.211   1.2530  104.526   1.2529 -0.3152771 1.771973 
1 1 1   13   29   10 o   14.429   1.8297  212.510   48.916  148.622   69.939  273.687   68.440   12.095   2.9947   16.763   2.1032 -4.668143 3.659440 
1 1 1   13   29   11 o   41.467   0.7503  1672.49   60.305  1711.36   83.628  1630.38   87.043   41.971   1.0265   40.963   1.0947 1.007805 1.500635 
1 1 1   13   29   12 o  127.655   1.0325 15847.39  255.850 15880.20  363.369 15815.14  360.303  127.785   1.4649  127.524   1.4555 0.2603989 2.065026 
1 1 1   13   29   13 o  105.311   0.9431 10781.68  192.745 10990.38  276.019 10583.04  269.272  106.304   1.3376  104.317   1.3298 1.987366 1.886101 
1 1 1   13   29   14 o   88.957   0.8618  7691.08  148.784  7857.40  212.705  7531.75  208.193   89.898   1.2189   88.015   1.2185 1.882599 1.723524 
1 1 1   13   29   15 o   35.862   0.8823  1251.09   61.392  1201.22   86.597  1301.48   87.048   35.142   1.2694   36.582   1.2258 -1.439777 1.764667 
1 1 1   13   29   16 o   75.982   0.7954  5616.12  117.300  5496.33  165.767  5736.25  166.008   75.169   1.1360   76.795   1.1136 -1.626427 1.590821 
1 1 1   13   29   17 o   22.255   1.3795  485.746   59.456  460.352   85.453  509.576   82.779   21.682   2.0303   22.827   1.8681 -1.145258 2.758979 
1 1 1   13   29   18 o   44.165   0.8279  1902.42   70.862  2021.37  100.055  1782.70  100.374   45.557   1.1314   42.773   1.2089 2.784416 1.655758 
1 1 1   13   29   19 o   70.645   0.7926  4863.52  108.686  4939.72  154.415  4788.71  153.006   71.194   1.1173   70.095   1.1245 1.098572 1.585214 
1 1 1   13   29   20 o   26.009   1.1942  666.217   60.129  639.227   87.153  690.734   83.065   25.491   1.7613   26.527   1.6131 -1.035694 2.388355 
1 1 1   13   29   21 o   40.434   0.8740  1601.32   68.512  1499.96   96.442  1704.59   97.345   39.132   1.2696   41.736   1.2015 -2.603878 1.748032 
1 1 1   13   29   22 o   42.126   0.8788  1733.41   71.695  1827.27  105.932  1654.09   97.389   43.168   1.2642   41.085   1.2211 2.082542 1.757625 
1 1 1   13   29   23 o   11.480   2.2692  123.157   59.783  249.086   91.196   28.263   79.165   15.166   3.1984   7.7935   3.2199 7.372342 4.538435 
1 1 1   13   29   24 o   8.2726   2.3620   44.757   58.717   10.830   96.918   64.431   73.804   7.9627   3.4369   8.5826   3.2410 -0.6198521 4.724038 
1 1 1   13   29   25 o   43.809   0.9523  1911.75   79.865  1846.78  122.340  1960.01  105.429   43.073   1.4632   44.544   1.2193 -1.470840 1.904608 
1 1 1   13   30    0 o  110.225   0.8675 11801.40  185.600 11848.76  261.328 11753.20  263.643  110.449   1.2189  110.001   1.2347 0.4473267 1.734965 
1 1 1   13   30    1 o  114.417   0.8938 12715.82  198.516 12890.08  281.634 12543.74  279.863  115.196   1.2595  113.637   1.2687 1.558800 1.787692 
1 1 1   13   30    2 o   79.793   0.7334  6182.60  113.578  6158.46  158.896  6207.83  162.407   79.634   1.0279   79.951   1.0464 -0.3177490 1.466841 
1 1 1   13   30    3 o   68.991   0.6668  4622.18   89.300  4609.36  126.220  4635.02  126.359   68.896   0.9438   69.087   0.9422 -0.1915894 1.333595 
1 1 1   13   30    4 o   67.917   0.6762  4479.77   89.149  4502.58  125.606  4456.62  126.552   68.092   0.9503   67.743   0.9624 0.3488770 1.352469 
1 1 1   13   30    5 o   67.624   0.6795  4440.80   89.184  4535.14  126.641  4347.98  125.616   68.337   0.9547   66.912   0.9671 1.425430 1.358936 
1 1 1   13   30    6 o   34.074   0.7314  1125.97   48.342  1084.80   66.779  1171.30   70.071   33.420   1.0293   34.727   1.0394 -1.306633 1.462875 
1 1 1   13   30    7 o   64.784   0.6840  4070.55   85.936  4194.19  124.951  3959.57  118.380   65.716   0.9795   63.852   0.9551 1.863510 1.368061 
1 1 1   13   30    8 o  114.831   0.9366 12813.79  208.771 12737.70  294.442 12890.73  296.059  114.488   1.3249  115.174   1.3242 -0.6857681 1.873196 
1 1 1   13   30    9 o   88.593   0.8050  7620.12  138.387  7808.94  199.218  7444.05  192.379   89.653   1.1447   87.534   1.1322 2.118690 1.610042 
1 1 1   13   30   10 o   69.335   0.8745  4654.61  111.626  4726.85  191.750  4617.58  137.287   69.727   1.4167   68.944   1.0258 0.7828217 1.749073 
1 1 1   13   30   11 o   27.058   1.0277  711.847   53.970  696.049   75.697  728.181   76.969   26.753   1.4576   27.364   1.4490 -0.6108608 2.055311 
1 1 1   13   30   12 o   33.473   0.8703  1090.50   56.373  1106.65   77.065  1071.90   82.678   33.743   1.1766   33.204   1.2827 0.5384521 1.740589 
1 1 1   13   30   13 o   91.428   0.8737  8127.06  155.066  8135.05  219.727  8119.14  218.868   91.473   1.2374   91.384   1.2338 0.8905029E-01 1.747443 
1 1 1   13   30   14 o   73.942   0.7900  5312.52  113.366  5174.54  158.542  5456.88  162.167   72.960   1.1194   74.924   1.1150 -1.964508 1.579988 
1 1 1   13   30   15 o   22.520   1.2846  494.613   56.155  495.202   79.537  494.028   79.295   22.534   1.8183   22.507   1.8149 0.2652740E-01 2.569112 
1 1 1   13   30   16 o   47.819   0.7654  2222.94   70.991  2260.99  102.773  2188.21   98.178   48.209   1.0982   47.430   1.0663 0.7790070 1.530749 
1 1 1   13   30   17 o   72.480   0.7950  5113.82  111.840  5101.46  157.137  5126.50  159.215   72.393   1.1182   72.568   1.1302 -0.1751328 1.589910 
1 1 1   13   30   18 o   22.520   1.3182  497.246   57.587  495.815   79.889  498.793   83.084   22.491   1.8299   22.550   1.8980 -0.5906105E-01 2.636470 
1 1 1   13   30   19 o   59.680   0.7724  3471.01   89.471  3536.30  127.386  3407.45  125.692   60.234   1.0895   59.125   1.0951 1.108807 1.544759 
1 1 1   13   30   20 o   28.893   1.0720  821.225   59.971  769.774   85.869  870.217   83.792   27.993   1.5802   29.792   1.4489 -1.798712 2.143919 
1 1 1   13   30   21 o   44.106   0.8376  1900.35   71.634  1995.34  104.319  1815.60   98.538   45.145   1.1904   43.067   1.1787 2.077713 1.675217 
1 1 1   13   30   22 o   8.2991   2.3556   39.926   57.916   60.229   86.264   23.263   78.149   8.9212   3.4691   7.6770   3.1876 1.244204 4.711210 
1 1 1   13   30   23 o   10.111   2.3885   98.074   58.118  158.173   85.018   45.351   79.629   11.985   3.4609   8.2378   3.2927 3.747411 4.777029 
1 1 1   13   30   24 o   39.402   0.9507  1524.50   71.843  1598.30  111.571  1472.22   93.901   40.164   1.4310   38.640   1.2519 1.524147 1.901335 
1 1 1   13   30   25 o   23.757   1.4419  561.215   64.728  638.931  106.801  516.097   81.376   24.925   2.2074   22.588   1.8559 2.336571 2.883892 
1 1 1   13   31    0 o  106.609   0.8641 11040.95  178.794 11264.79  253.022 10817.70  252.685  107.689   1.2104  105.529   1.2335 2.160271 1.728173 
1 1 1   13   31    1 f   71.738   0.6841  4997.04   95.261  4918.51  133.954  5077.39  135.497   71.168   0.9696   72.308   0.9653 -1.140495 1.368233 
1 1 1   13   31    2 o  103.494   0.8584 10404.40  172.441 10267.24  242.888 10543.79  244.862  102.806   1.2171  104.182   1.2108 -1.375824 1.716772 
1 1 1   13   31    3 o   27.729   0.8204  752.367   43.788  649.691   62.581  850.850   61.291   25.860   1.2467   29.598   1.0668 -3.737627 1.640781 
1 1 1   13   31    4 o   44.150   0.6549  1892.28   56.116  1956.93   80.109  1829.99   78.630   44.891   0.9193   43.410   0.9331 1.480759 1.309892 
1 1 1   13   31    5 o   46.934   0.6393  2139.11   58.178  2139.26   80.406  2138.95   84.282   46.936   0.8825   46.932   0.9251 0.4520416E-02 1.278548 
1 1 1   13   31    6 o   34.984   0.7431  1183.05   50.337  1274.74   74.431  1105.77   68.333   36.227   1.0584   33.741   1.0433 2.486050 1.486171 
1 1 1   13   31    7 o   67.960   0.7008  4485.43   92.435  4618.78  131.416  4354.85  130.042   68.960   0.9817   66.960   1.0005 2.000160 1.401668 
1 1 1   13   31    8 o   43.476   0.6955  1836.01   58.586  1692.38   82.078  1985.20   83.650   41.741   1.0130   45.210   0.9531 -3.469097 1.390900 
1 1 1   13   31    9 o  152.750   1.1572 22689.36  343.085 23028.46  490.577 22364.73  479.988  153.866   1.6425  151.635   1.6307 2.231232 2.314483 
1 1 1   13   31   10 o   40.587   0.8947  1601.28   68.022  1601.46   85.634  1600.97  111.975   40.598   1.0866   40.576   1.4216 0.2203751E-01 1.789357 
1 1 1   13   31   11 o   95.711   0.8728  8903.84  162.136  8906.87  227.215  8900.71  231.433   95.728   1.2227   95.693   1.2459 0.3566742E-01 1.745658 
1 1 1   13   31   12 o   33.196   0.9142  1071.22   58.880  1120.60   84.086  1023.71   82.476   33.948   1.2760   32.445   1.3095 1.502430 1.828389 
1 1 1   13   31   13 o   83.929   0.8254  6843.79  134.424  6990.05  193.221  6706.60  187.134   84.797   1.1738   83.061   1.1606 1.735558 1.650740 
1 1 1   13   31   14 f   52.800   0.7557  2712.89   77.375  2812.03  108.351  2609.73  110.531   53.788   1.0377   51.813   1.0990 1.975357 1.511486 
1 1 1   13   31   15 o   35.744   0.8687  1240.75   60.215  1311.52   87.342  1176.65   83.128   36.714   1.2255   34.775   1.2315 1.939289 1.737363 
1 1 1   13   31   16 o   45.353   0.7944  2001.96   69.904  1919.96   98.485  2085.23   99.238   44.415   1.1423   46.292   1.1044 -1.876293 1.588835 
1 1 1   13   31   17 o   61.519   0.7684  3684.88   91.745  3715.19  128.959  3653.82  130.551   61.777   1.0754   61.261   1.0978 0.5161781 1.536754 
1 1 1   13   31   18 o   25.548   1.1762  640.239   58.035  561.237   81.419  721.835   82.744   23.931   1.7527   27.166   1.5691 -3.234713 2.352434 
1 1 1   13   31   19 o   48.343   0.7709  2278.93   72.347  2277.37  102.249  2280.49  102.378   48.326   1.0900   48.359   1.0906 -0.3293991E-01 1.541880 
1 1 1   13   31   20 o   32.279   0.9699  1024.68   60.563  961.908   87.519  1082.35   83.893   31.311   1.4399   33.247   1.2999 -1.935684 1.939878 
1 1 1   13   31   21 o   34.005   0.9854  1149.76   64.205  976.385   93.092  1307.05   88.669   31.490   1.5229   36.519   1.2508 -5.028900 1.970706 
1 1 1   13   31   22 o   12.813   2.1791  186.656   68.368  318.053   87.420 -20.2766  109.706   17.677   2.5476   7.9495   3.5361 9.727688 4.358207 
1 1 1   13   31   23 o   15.024   2.1329  249.172   60.229  183.963   89.857  302.369   81.160   12.847   3.5055   17.200   2.4308 -4.352949 4.265859 
1 1 1   13   31   24 o   32.629   1.1110  1061.94   69.848  1053.05  105.081  1068.98   93.491   32.453   1.6681   32.806   1.4681 -0.3530388 2.222094 
1 1 1   13   32    0 o  117.152   0.9309 13334.78  211.687 13376.29  300.148 13293.69  298.600  117.334   1.3178  116.971   1.3151 0.3625870 1.861711 
1 1 1   13   32    1 f   98.556   0.8509  9440.58  162.655  9562.99  226.195  9309.50  234.064   99.220   1.1744   97.892   1.2318 1.327942 1.701898 
1 1 1   13   32    2 o   53.997   0.6244  2831.31   65.447  2839.01   92.421  2823.56   92.691   54.071   0.8805   53.923   0.8855 0.1474457 1.248787 
1 1 1   13   32    3 o   67.896   0.6793  4476.80   89.528  4456.17  126.273  4497.65  126.955   67.739   0.9603   68.054   0.9610 -0.3145370 1.358576 
1 1 1   13   32    4 o   47.626   0.6467  2202.52   59.787  2178.29   84.062  2227.31   85.051   47.361   0.9143   47.891   0.9149 -0.5299110 1.293439 
1 1 1   13   32    5 o   91.894   0.8010  8200.90  142.858  8074.03  199.926  8333.25  204.204   91.168   1.1297   92.620   1.1358 -1.451569 1.601937 
1 1 1   13   32    6 o   87.942   0.9245  7404.18  150.271  7164.93  184.598  7874.16  258.729   85.882   1.1073   90.002   1.4809 -4.120094 1.849094 
1 1 1   13   32    7 o   98.297   0.8421  9382.51  160.629  9194.63  223.483  9583.30  231.034   97.281   1.1835   99.314   1.1984 -2.033546 1.684257 
1 1 1   13   32    8 f  105.678   0.9269 10853.61  190.148 10803.79  267.728 10904.32  270.108  105.433   1.3081  105.922   1.3137 -0.4887619 1.853894 
1 1 1   13   32    9 o   83.002   0.7894  6692.25  127.167  6563.48  178.077  6826.25  181.658   82.188   1.1162   83.817   1.1165 -1.629021 1.578749 
1 1 1   13   32   10 o   79.384   0.7678  6117.56  118.256  6306.40  170.479  5942.43  164.177   80.563   1.0901   78.204   1.0815 2.358673 1.535557 
1 1 1   13   32   11 o   54.446   0.7200  2880.08   76.093  2850.86  106.926  2910.06  108.310   54.166   1.0169   54.726   1.0196 -0.5593414 1.440013 
1 1 1   13   32   12 o   70.796   0.7514  4873.30  103.212  4997.18  144.977  4746.00  146.972   71.710   1.0415   69.882   1.0834 1.828941 1.502844 
1 1 1   13   32   13 o   40.767   0.7826  1611.73   61.858  1698.96   90.170  1534.19   85.018   41.806   1.1111   39.728   1.1024 2.078396 1.565215 
1 1 1   13   32   14 o   57.643   0.7594  3230.81   84.961  3293.91  120.035  3167.45  120.271   58.208   1.0623   57.078   1.0855 1.130363 1.518826 
1 1 1   13   32   15 o   24.444   1.1722  583.833   55.119  576.019   83.460  589.877   73.404   24.289   1.7701   24.598   1.5373 -0.3082371 2.344464 
1 1 1   13   32   16 o   62.457   0.7561  3796.26   91.653  3812.19  128.637  3779.84  130.618   62.592   1.0587   62.322   1.0797 0.2693024 1.512156 
1 1 1   13   32   17 o   20.656   1.4080  421.003   56.134  461.063   78.217  378.454   80.610   21.690   1.8577   19.622   2.1163 2.067144 2.815979 
1 1 1   13   32   18 o   53.326   0.7511  2770.54   77.747  2776.40  109.941  2764.67  109.961   53.382   1.0610   53.269   1.0634 0.1133118 1.502147 
1 1 1   13   32   19 o   35.491   0.8850  1233.17   60.867  1167.51   86.871  1296.49   85.309   34.553   1.2952   36.430   1.2064 -1.876629 1.769954 
1 1 1   13   32   20 o   33.942   0.9001  1109.59   58.800  1294.82   90.434  973.936   77.393   36.353   1.2815   31.532   1.2644 4.820780 1.800277 
1 1 1   13   32   21 o   18.567   1.5997  355.414   55.750  293.734   85.477  401.077   73.545   17.034   2.5850   20.100   1.8850 -3.065613 3.199303 
1 1 1   13   32   22 o   15.699   2.0146  249.328   58.487  416.498   91.409  133.451   76.104   20.281   2.3218   11.117   3.2929 9.164522 4.029164 
1 1 1   13   32   23 f   13.971   2.1693  216.691   58.724  150.911   86.556  272.793   79.935   11.662   3.5249   16.280   2.5294 -4.618011 4.338511 
1 1 1   13   32   24 o   6.7177   2.1764 -42.3521   63.577 -24.0300   95.927 -56.7048   84.902   7.1983   3.2458   6.2371   2.9002 0.9612918 4.352733 
1 1 1   13   33    0 o  126.770   1.0009 15614.41  246.276 15387.83  345.678 15847.96  350.957  125.836   1.4151  127.703   1.4158 -1.867470 2.001749 
1 1 1   13   33    1 o   77.131   0.7185  5777.52  107.567  5733.90  151.373  5822.02  152.885   76.837   1.0149   77.425   1.0172 -0.5880737 1.436919 
1 1 1   13   33    2 o   23.465   0.9344  538.807   42.256  479.653   61.002  593.374   58.589   22.216   1.4145   24.714   1.2212 -2.497635 1.868763 
1 1 1   13   33    3 o   74.196   0.7101  5345.35  102.243  5295.07  142.670  5398.44  146.598   73.838   0.9954   74.554   1.0130 -0.7163773 1.420158 
1 1 1   13   33    4 o   45.711   0.6507  2029.66   57.725  1995.81   82.088  2062.77   81.192   45.333   0.9328   46.088   0.9075 -0.7549248 1.301440 
1 1 1   13   33    5 o   79.944   0.7409  6205.19  114.949  6102.04  160.215  6314.62  165.017   79.260   1.0413   80.628   1.0543 -1.368073 1.481872 
1 1 1   13   33    6 o  112.608   0.9328 12322.48  203.897 12191.37  287.043 12456.01  289.684  112.003   1.3202  113.213   1.3181 -1.209335 1.865618 
1 1 1   13   33    7 o   51.809   0.6840  2606.25   68.775  2555.91   96.224  2658.84   98.336   51.298   0.9663   52.320   0.9682 -1.022636 1.367936 
1 1 1   13   33    8 o   68.327   0.7173  4530.78   95.062  4425.19  131.395  4646.75  137.701   67.493   1.0029   69.161   1.0257 -1.667542 1.434514 
1 1 1   13   33    9 o   80.379   0.7713  6276.68  120.332  6389.10  171.345  6167.27  169.028   81.089   1.0885   79.668   1.0930 1.420494 1.542565 
1 1 1   13   33   10 o   74.473   0.7485  5388.34  108.198  5270.83  152.161  5508.52  153.883   73.651   1.0643   75.295   1.0528 -1.643250 1.497057 
1 1 1   13   33   11 o   13.130   1.9771  175.394   48.937  146.161   68.604  205.679   69.827   11.978   2.9661   14.283   2.6149 -2.304803 3.954154 
1 1 1   13   33   12 o   29.919   1.2943  931.544   67.399  729.581  118.882  1027.21   81.819   27.337   2.2403   32.500   1.2969 -5.163237 2.588582 
1 1 1   13   33   13 o   60.362   0.7323  3543.17   85.735  3493.81  123.315  3589.35  119.281   59.953   1.0596   60.771   1.0111 -0.8181610 1.464631 
1 1 1   13   33   14 o   28.162   1.0540  770.540   57.506  705.997   79.278  842.210   83.540   26.919   1.5171   29.406   1.4635 -2.486269 2.107990 
1 1 1   13   33   15 o   25.071   1.1370  613.729   55.226  607.558   80.431  619.234   75.962   24.948   1.6608   25.195   1.5531 -0.2476444 2.273908 
1 1 1   13   33   16 o   28.868   1.0616  812.354   59.441  769.889   82.529  858.127   85.683   28.084   1.5138   29.652   1.4886 -1.568506 2.123106 
1 1 1   13   33   17 o   15.411   1.8766  238.580   55.004  228.460   76.420  249.458   79.230   14.952   2.7337   15.871   2.5717 -0.9191484 3.753258 
1 1 1   13   33   18 o   9.8174   2.2168   77.699   54.599  164.833   78.944  -2.1957   75.593   12.557   3.2225   7.0774   3.0451 5.479877 4.433652 
1 1 1   13   33   19 o   25.629   1.1052  643.527   54.719  662.625   81.995  628.193   73.472   25.958   1.6272   25.300   1.4960 0.6579418 2.210417 
1 1 1   13   33   20 o   18.941   1.4983  357.198   54.984  368.838   80.708  347.115   75.112   19.217   2.1635   18.664   2.0732 0.5529366 2.996505 
1 1 1   13   33   21 o   59.088   0.7700  3417.67   88.266  3387.82  126.703  3445.82  123.031   58.828   1.1095   59.348   1.0679 -0.5200272 1.539984 
1 1 1   13   33   22 o   26.096   1.1823  658.632   59.029  792.589   93.585  570.123   76.070   28.228   1.7079   23.965   1.6352 4.262842 2.364505 
1 1 1   13   33   23 o   8.7861   2.4050   60.063   58.176   91.325   90.030   37.651   76.229   9.7153   3.5974   7.8569   3.1928 1.858438 4.809907 
1 1 1   13   33   24 o   21.637   1.6066  487.788   66.591  440.430   99.037  526.865   89.963   20.544   2.4834   22.730   2.0389 -2.186142 3.213204 
1 1 1   13   34    0 o   66.208   0.6612  4251.92   84.907  4143.50  117.146  4371.90  123.239   65.320   0.9239   67.096   0.9462 -1.775200 1.322448 
1 1 1   13   34    1 o  110.917   0.9201 11940.20  197.985 12341.18  286.300 11572.69  274.086  112.699   1.3087  109.135   1.2938 3.563957 1.840239 
1 1 1   13   34    2 o   63.929   0.6606  3968.91   81.939  3964.85  114.047  3973.23  117.803   63.896   0.9195   63.963   0.9488 -0.6631470E-01 1.321222 
1 1 1   13   34    3 o   56.143   0.6468  3058.79   70.467  3154.38  101.279  2969.09   98.106   56.992   0.9155   55.293   0.9140 1.699093 1.293645 
1 1 1   13   34    4 o   79.067   0.7382  6066.52  113.238  6257.58  163.420  5890.05  157.056   80.263   1.0489   77.871   1.0390 2.392204 1.476360 
1 1 1   13   34    5 o   88.117   0.7964  7543.61  136.210  7577.71  191.766  7508.89  193.504   88.318   1.1186   87.915   1.1339 0.4031143 1.592735 
1 1 1   13   34    6 o   33.867   0.7930  1114.22   52.127  1105.69   73.260  1122.96   74.188   33.736   1.1187   33.998   1.1241 -0.2623100 1.585916 
1 1 1   13   34    7 o   40.597   0.7167  1597.57   56.331  1556.02   76.536  1646.67   83.209   40.023   0.9851   41.170   1.0412 -1.147373 1.433350 
1 1 1   13   34    8 o   77.366   0.7570  5815.63  113.681  5819.73  160.844  5811.54  160.693   77.393   1.0706   77.338   1.0704 0.5448151E-01 1.513925 
1 1 1   13   34    9 o   76.897   0.7585  5747.20  113.193  5854.45  159.234  5637.63  160.939   77.624   1.0568   76.171   1.0884 1.453369 1.517052 
1 1 1   13   34   10 o   68.393   0.7334  4544.68   97.355  4487.73  136.508  4603.63  138.883   67.957   1.0348   68.829   1.0395 -0.8715973 1.466740 
1 1 1   13   34   11 o   48.253   0.7206  2263.83   67.449  2183.76   95.776  2342.61   95.004   47.405   1.0408   49.101   0.9967 -1.696430 1.441107 
1 1 1   13   34   12 o   30.424   0.9531  896.340   56.088  854.921   75.554  947.190   83.714   29.647   1.3129   31.202   1.3822 -1.555185 1.906291 
1 1 1   13   34   13 o   32.225   0.9362  1005.79   58.386  1120.88   85.626  905.786   79.819   33.941   1.2996   30.508   1.3478 3.432802 1.872309 
1 1 1   13   34   14 o   66.144   0.7696  4255.86   98.812  4210.11  139.450  4301.99  140.034   65.787   1.0920   66.502   1.0848 -0.7149429 1.539198 
1 1 1   13   34   15 o   39.791   0.8117  1545.07   62.514  1477.88   90.640  1606.03   86.334   38.958   1.1985   40.623   1.0948 -1.664730 1.623311 
1 1 1   13   34   16 o   16.705   1.9089  300.848   56.364  414.803   77.245  171.091   82.427   20.566   1.9349   12.844   3.2911 7.722428 3.817711 
1 1 1   13   34   17 o   39.653   0.8438  1533.48   64.944  1560.05   91.691  1506.74   91.998   40.000   1.1809   39.306   1.2057 0.6931267 1.687680 
1 1 1   13   34   18 o   56.496   0.7401  3112.65   81.138  3096.22  116.088  3128.33  113.450   56.346   1.0613   56.645   1.0318 -0.2988777 1.480191 
1 1 1   13   34   19 o   26.887   1.0607  703.230   55.078  787.029   83.040  637.410   73.596   28.300   1.5116   25.473   1.4883 2.826889 2.121347 
1 1 1   13   34   20 f   64.129   0.7637  4022.05   95.026  3968.73  135.917  4073.04  132.908   63.705   1.0991   64.553   1.0606 -0.8483887 1.527398 
1 1 1   13   34   21 o   22.401   1.3504  493.886   58.311  561.345   89.054  443.254   77.151   23.714   1.9345   21.088   1.8847 2.626705 2.700848 
1 1 1   13   34   22 o   31.210   1.0372  960.599   62.402  989.572   94.544  938.234   83.065   31.595   1.5415   30.825   1.3882 0.7694187 2.074468 
1 1 1   13   34   23 o   30.779   1.0565  937.461   62.042  964.133   97.686  919.428   80.322   31.081   1.6191   30.477   1.3577 0.6045341 2.113008 
1 1 1   13   35    0 o  128.566   1.2654 16102.00  297.492 16150.84  364.371 16004.35  515.217  128.906   1.4562  128.227   2.0699 0.6784973 2.530764 
1 1 1   13   35    1 o   54.494   0.6290  2883.43   66.529  2827.76   93.547  2940.40   94.636   53.962   0.8931   55.026   0.8860 -1.064484 1.257976 
1 1 1   13   35    2 o   78.568   0.7356  5991.50  112.129  5862.40  155.628  6130.87  161.694   77.689   1.0320   79.447   1.0485 -1.758003 1.471124 
1 1 1   13   35    3 o   95.548   0.8252  8867.93  153.049  9014.99  218.115  8725.29  214.810   96.328   1.1665   94.767   1.1677 1.560524 1.650494 
1 1 1   13   35    4 o   8.4973   2.0189   63.752   39.875   44.511   54.756   85.479   58.184   7.6195   2.8086   9.3752   2.9009 -1.755736 4.037710 
1 1 1   13   35    5 o   45.376   0.8041  2034.93   68.219  1864.36  110.090  2141.25   86.919   43.799   1.2949   46.953   0.9536 -3.154034 1.608133 
1 1 1   13   35    6 f   46.672   0.6722  2110.08   60.795  2022.26   83.040  2211.53   89.250   45.629   0.9375   47.715   0.9636 -2.086487 1.344411 
1 1 1   13   35    7 o   27.503   0.9288  735.004   49.573  750.307   71.120  720.543   69.135   27.781   1.3188   27.225   1.3082 0.5562305 1.857561 
1 1 1   13   35    8 o   61.920   0.7134  3720.85   85.682  3625.11  118.433  3825.99  124.112   61.086   0.9988   62.755   1.0188 -1.668449 1.426730 
1 1 1   13   35    9 o   96.265   0.8866  9004.71  165.613  8822.65  230.469  9199.09  238.143   95.261   1.2463   97.270   1.2612 -2.009033 1.773149 
1 1 1   13   35   10 o   24.186   1.1795  578.461   54.502  662.193   74.819  483.797   79.553   26.088   1.4774   22.284   1.8391 3.804176 2.358992 
1 1 1   13   35   11 o   61.647   0.7350  3692.01   87.914  3650.25  122.254  3736.73  126.513   61.287   1.0276   62.007   1.0511 -0.7199173 1.469950 
1 1 1   13   35   12 o   53.362   0.7462  2765.41   77.246  2702.49  106.903  2834.16  111.741   52.728   1.0444   53.996   1.0661 -1.267540 1.492438 
1 1 1   13   35   13 o   53.929   0.7424  2828.71   77.692  2855.76  108.666  2800.42  111.122   54.194   1.0329   53.663   1.0667 0.5309258 1.484894 
1 1 1   13   35   14 o   27.432   1.0562  733.692   56.239  749.713   80.020  718.055   79.056   27.728   1.4867   27.135   1.5008 0.5929585 2.112494 
1 1 1   13   35   15 o   17.947   1.5420  316.098   53.593  287.093   74.638  346.971   77.002   17.091   2.2497   18.803   2.1096 -1.712109 3.084059 
1 1 1   13   35   16 o   44.493   0.7947  1928.72   68.556  1927.76   94.716  1929.78   99.356   44.485   1.0968   44.500   1.1502 -0.1521683E-01 1.589331 
1 1 1   13   35   17 o   33.272   0.9305  1081.15   60.094  1083.42   85.471  1078.93   84.508   33.306   1.3220   33.238   1.3098 0.6721497E-01 1.860971 
1 1 1   13   35   18 o   56.965   0.7391  3166.49   81.702  3150.61  116.800  3181.71  114.328   56.821   1.0589   57.109   1.0313 -0.2875824 1.478143 
1 1 1   13   35   19 o   11.277   2.2297  129.934   53.795  197.349   78.228   69.455   74.094   13.643   3.0324   8.9117   3.2698 4.731638 4.459472 
1 1 1   13   35   20 f   28.860   1.0797  823.837   60.236  749.152   86.009  895.731   84.386   27.547   1.6084   30.172   1.4408 -2.624914 2.159384 
1 1 1   13   35   21 o   15.227   2.0209  248.019   57.673  189.530   82.670  303.474   80.497   13.174   3.2523   17.281   2.3996 -4.107165 4.041728 
1 1 1   13   35   22 o   9.9631   2.4087   89.445   59.313  163.689   90.028   32.502   78.844   12.094   3.5813   7.8320   3.2221 4.262350 4.817417 
1 1 1   13   35   23 o   29.043   1.1242  845.856   62.643  821.758   95.305  864.186   83.120   28.609   1.7161   29.478   1.4526 -0.8686638 2.248349 
1 1 1   13   36    0 o   43.638   0.9342  1926.86   68.728  2012.56   80.444  1695.24  132.248   45.523   0.9103   41.753   1.6317 3.769707 1.868449 
1 1 1   13   36    1 o   46.275   0.8811  2041.52   68.468  2003.92   78.671  2158.95  139.017   45.425   0.8922   47.124   1.5197 -1.698624 1.762248 
1 1 1   13   36    2 o   43.604   0.6513  1844.96   55.081  1882.33   79.879  1811.07   76.055   44.024   0.9347   43.183   0.9073 0.8405418 1.302633 
1 1 1   13   36    3 o   16.198   1.2941  255.216   40.658  241.449   56.936  269.540   58.078   15.751   1.8621   16.644   1.7976 -0.8925667 2.588201 
1 1 1   13   36    4 o   69.911   0.7031  4747.38   95.405  4823.73  135.341  4671.96  134.509   70.470   0.9894   69.352   0.9991 1.118011 1.406114 
1 1 1   13   36    5 o   51.107   0.6724  2537.47   66.696  2586.47   94.186  2488.19   94.460   51.602   0.9403   50.611   0.9615 0.9907341 1.344816 
1 1 1   13   36    6 o   41.420   0.8153  1690.62   63.625  1774.05   81.912  1563.71  101.024   42.733   0.9874   40.107   1.2976 2.626583 1.630584 
1 1 1   13   36    7 o  100.044   0.8945  9725.78  173.688  9934.78  248.114  9524.94  243.221  101.098   1.2643   98.990   1.2657 2.107430 1.789000 
1 1 1   13   36    8 o   51.942   0.7044  2621.43   71.025  2637.56  100.338  2605.23  100.552   52.102   0.9921   51.781   1.0004 0.3207283 1.408872 
1 1 1   13   36    9 o   95.971   0.8660  8951.62  161.267  8856.99  224.365  9052.76  231.956   95.449   1.2109   96.494   1.2383 -1.045486 1.732007 
1 1 1   13   36   10 o   55.528   0.7393  2996.55   79.694  2989.83  112.865  3003.24  112.544   55.466   1.0483   55.591   1.0429 -0.1246223 1.478699 
1 1 1   13   36   11 o   33.153   0.8937  1065.73   57.412  1122.49   84.387  1016.82   78.335   33.971   1.2797   32.334   1.2480 1.636856 1.787493 
1 1 1   13   36   12 o   32.452   0.9519  1027.83   59.797  1088.20   83.298  963.646   85.893   33.442   1.2832   31.462   1.4064 1.980007 1.903816 
1 1 1   13   36   13 o   53.137   0.7572  2746.64   78.098  2746.75  109.951  2746.52  110.950   53.138   1.0659   53.135   1.0757 0.3364563E-02 1.514354 
1 1 1   13   36   14 o   5.9964   1.9548 -67.3933   54.321 -115.3676   78.784 -23.9185   74.998   5.3681   2.5812   6.6247   2.9363 -1.256542 3.909510 
1 1 1   13   36   15 f   56.922   0.7574  3154.15   83.668  3126.41  116.640  3183.56  120.084   56.666   1.0604   57.178   1.0819 -0.5119324 1.514893 
1 1 1   13   36   16 o   12.814   2.2266  169.937   55.382  137.803   76.615  205.101   80.147   11.554   3.2692   14.074   3.0238 -2.519733 4.453165 
1 1 1   13   36   17 o   12.273   2.1868  155.708   52.208  186.578   77.494  130.053   70.646   13.360   3.0545   11.185   3.1303 2.175388 4.373683 
1 1 1   13   36   18 o   50.306   0.7475  2470.48   72.984  2418.19  102.624  2524.00  103.818   49.766   1.0623   50.846   1.0518 -1.080021 1.494936 
1 1 1   13   36   19 o   27.393   1.0927  738.928   58.088  762.900   82.855  715.757   81.461   27.833   1.5335   26.953   1.5570 0.8796577 2.185372 
1 1 1   13   36   20 o   28.110   1.1024  780.843   60.013  714.353   84.208  849.469   85.551   26.876   1.6141   29.345   1.5019 -2.468319 2.204726 
1 1 1   13   36   21 o   16.423   1.8592  277.598   59.239  274.240   84.841  280.793   82.753   16.308   2.6800   16.539   2.5776 -0.2301083 3.718380 
1 1 1   13   36   22 o   12.532   2.3367  172.380   59.258  235.032   87.070  118.322   80.878   14.605   3.1627   10.458   3.4406 4.147071 4.673367 
1 1 1   13   36   23 o   7.9383   2.2865   23.197   61.498 -64.6642   93.623   89.878   81.561   6.4671   3.0200   9.4095   3.4339 -2.942333 4.572927 
1 1 1   13   37    0 o   80.770   0.9643  6372.47  141.724  6432.94  173.034  6249.23  247.027   81.375   1.0954   80.165   1.5874 1.210274 1.928699 
1 1 1   13   37    1 o   63.465   0.8439  3833.45   94.133  3729.71  110.834  4102.00  178.318   61.969   0.9214   64.960   1.4141 -2.990490 1.687787 
1 1 1   13   37    2 o  113.106   1.1797 12503.17  243.222 12617.96  297.443 12271.56  422.530  113.937   1.3448  112.275   1.9387 1.661583 2.359474 
1 1 1   13   37    3 f   55.826   0.8717  2985.27   82.999  2939.08   96.211  3119.69  164.110   55.010   0.9010   56.641   1.4926 -1.631508 1.743432 
1 1 1   13   37    4 o   40.678   0.6985  1607.37   55.153  1624.46   78.243  1590.50   77.754   40.893   0.9857   40.463   0.9899 0.4299202 1.396965 
1 1 1   13   37    5 o   82.569   0.7759  6621.69  124.328  6781.37  178.023  6469.66  173.708   83.540   1.0978   81.598   1.0967 1.942497 1.551712 
1 1 1   13   37    6 o   40.434   0.7066  1592.19   55.321  1509.54   79.696  1669.04   76.854   39.417   1.0416   41.451   0.9551 -2.033485 1.413206 
1 1 1   13   37    7 o   68.868   0.7153  4608.34   95.615  4542.10  135.006  4675.01  135.434   68.371   1.0172   69.365   1.0058 -0.9939880 1.430532 
1 1 1   13   37    8 o   62.476   0.7059  3792.40   85.606  3755.24  120.523  3830.24  121.614   62.167   0.9987   62.784   0.9979 -0.6178436 1.411799 
1 1 1   13   37    9 o  103.849   0.9359 10484.98  188.635 10670.75  269.916 10307.63  263.732  104.747   1.3275  102.951   1.3197 1.796501 1.871816 
1 1 1   13   37   10 o   41.480   0.7963  1674.37   64.048  1750.10   90.071  1596.92   91.092   42.431   1.0935   40.528   1.1579 1.903049 1.592637 
1 1 1   13   37   11 o   49.515   0.7526  2383.49   72.336  2421.98  102.600  2345.45  101.999   49.913   1.0589   49.118   1.0698 0.7957802 1.505244 
1 1 1   13   37   12 o   52.781   0.7320  2710.98   74.951  2629.64  106.842  2789.80  105.170   51.999   1.0585   53.563   1.0115 -1.564831 1.464066 
1 1 1   13   37   13 o   21.315   1.3588  446.770   55.407  355.026   77.281  543.808   79.479   19.036   2.0913   23.594   1.7353 -4.557907 2.717534 
1 1 1   13   37   14 o   61.592   0.7430  3691.93   88.822  3718.88  126.680  3665.87  124.574   61.812   1.0558   61.372   1.0457 0.4404602 1.485959 
1 1 1   13   37   15 o   16.116   1.7847  256.596   55.776  248.154   76.791  266.022   81.147   15.839   2.4976   16.393   2.5501 -0.5537949 3.569418 
1 1 1   13   37   16 o   26.539   1.0977  689.719   56.523  697.812   79.066  681.260   80.834   26.702   1.5254   26.375   1.5788 0.3263931 2.195326 
1 1 1   13   37   17 o   73.277   0.7865  5242.76  111.855  5108.87  158.040  5377.14  158.334   72.334   1.1255   74.220   1.0990 -1.885193 1.573081 
1 1 1   13   37   18 o   22.091   1.3388  483.372   57.394  499.058   82.360  468.565   80.024   22.440   1.8907   21.742   1.8960 0.6976261 2.677665 
1 1 1   13   37   19 o   8.8260   2.3377   63.230   54.646   41.903   76.160   85.860   78.454   8.1201   3.2284   9.5319   3.3817 -1.411784 4.675352 
1 1 1   13   37   20 o   8.5573   2.2433   42.107   56.404  121.133   79.410 -38.3541   80.128   10.683   3.4009   6.4315   2.9264 4.251634 4.486656 
1 1 1   13   37   21 o   23.162   1.3681  538.972   61.080  622.590   87.786  460.500   85.041   24.952   1.8124   21.372   2.0498 3.580002 2.736134 
1 1 1   13   37   22 o   9.8898   2.1651   71.723   59.955 -65.0339   84.738  208.812   84.841   6.1236   2.8640   13.656   3.2479 -7.532502 4.330242 
1 1 1   13   38    0 o   55.382   0.8711  3064.81   85.688  3201.64  103.546  2767.50  152.631   57.414   0.9291   53.351   1.4738 4.062916 1.742200 
1 1 1   13   38    1 o   26.456   1.3651  721.463   57.349  754.577   65.451  612.010  118.994   27.865   1.2100   25.047   2.4474 2.818048 2.730145 
1 1 1   13   38    2 o   32.088   1.1126  956.510   56.968  924.567   63.822  1081.74  126.368   30.848   1.0658   33.328   1.9533 -2.479263 2.225149 
1 1 1   13   38    3 o   64.513   0.8809  4104.15  101.736  4202.11  122.960  3891.55  181.145   65.770   0.9631   63.256   1.4752 2.513821 1.761769 
1 1 1   13   38    4 o   10.598   2.4111  108.762   53.198  118.390   61.983   81.832  103.660   10.817   2.8948   10.378   3.8567 0.4388275 4.822241 
1 1 1   13   38    5 f   37.588   0.7450  1380.49   54.013  1217.75   77.142  1537.01   75.651   35.400   1.1226   39.776   0.9798 -4.376289 1.490018 
1 1 1   13   38    6 o   73.238   0.7281  5212.17  103.510  5236.24  145.772  5187.69  147.005   73.409   1.0230   73.067   1.0365 0.3421707 1.456259 
1 1 1   13   38    7 o   16.500   1.5715  268.691   49.761  232.153   72.348  301.494   68.551   15.415   2.4178   17.585   2.0082 -2.169784 3.143046 
1 1 1   13   38    8 o   34.139   0.8329  1133.48   55.154  1080.66   77.916  1186.53   78.084   33.340   1.2039   34.938   1.1513 -1.597408 1.665821 
1 1 1   13   38    9 o   25.619   1.0956  638.497   54.449  650.599   78.682  627.375   75.426   25.851   1.5680   25.387   1.5305 0.4637394 2.191130 
1 1 1   13   38   10 o   56.990   0.7352  3157.43   81.320  3105.58  115.174  3208.97  114.833   56.523   1.0497   57.458   1.0296 -0.9348259 1.470340 
1 1 1   13   38   11 o   17.954   1.6145  319.285   54.891  236.414   76.748  406.066   78.538   15.522   2.5471   20.387   1.9846 -4.864206 3.228977 
1 1 1   13   38   12 o   46.105   0.7640  2067.46   68.363  2036.04   95.525  2100.44   97.878   45.747   1.0757   46.463   1.0852 -0.7168388 1.528002 
1 1 1   13   38   13 o   12.212   2.2631  153.602   54.296  157.403   77.126  149.867   76.452   12.357   3.1926   12.067   3.2083 0.2893028 4.526162 
1 1 1   13   38   14 o   6.7045   2.0834 -20.8211   52.317   3.2650   78.524 -40.0477   70.156   7.3660   3.1346   6.0430   2.7452 1.323072 4.166731 
1 1 1   13   38   15 o   17.736   1.5829  308.692   54.304  275.436   74.061  347.362   79.862   16.702   2.2843   18.769   2.1919 -2.067022 3.165838 
1 1 1   13   38   16 o   47.651   0.7619  2211.07   70.386  2276.24  102.709  2153.36   96.650   48.308   1.0953   46.993   1.0595 1.314503 1.523867 
1 1 1   13   38   17 o   43.423   0.7884  1837.79   66.348  1914.35   97.250  1771.12   90.748   44.263   1.1318   42.583   1.0978 1.679619 1.576803 
1 1 1   13   38   18 o   12.032   2.2515  153.321   54.485  112.017   75.599  197.965   78.596   10.413   3.3187   13.650   3.0437 -3.237125 4.503091 
1 1 1   13   38   19 o   7.8466   2.2419   27.031   54.462  -9.6724   75.585   66.662   78.542   6.8037   2.9843   8.8896   3.3465 -2.085970 4.483838 
1 1 1   13   38   20 o   6.1046   1.9975 -60.2318   56.666 -94.5855   80.142 -25.8849   80.134   5.5701   2.6580   6.6391   2.9826 -1.069072 3.995084 
1 1 1   13   38   21 o   11.625   2.3465  149.806   57.282  105.354   81.930  192.312   80.117   10.047   3.4636   13.204   3.1667 -3.156910 4.693001 
1 1 1   13   38   22 o   11.712   2.4343  149.942   61.755  223.499   92.007   89.636   83.309   13.983   3.4183   9.4417   3.4667 4.541607 4.868536 
1 1 1   13   39    0 o   65.806   0.9158  4126.26  103.769  4032.85  120.740  4390.24  202.973   64.432   0.9654   67.180   1.5564 -2.748123 1.831506 
1 1 1   13   39    1 f   80.326   0.9927  6309.98  143.581  6371.52  173.699  6177.21  255.130   80.976   1.1050   79.676   1.6496 1.300201 1.985493 
1 1 1   13   39    2 o   10.106   2.4035   92.910   51.056   96.265   58.856   82.711  102.626   9.8402   2.8906   10.373   3.8408 -0.5324707 4.807019 
1 1 1   13   39    3 f   45.321   0.9066  2046.30   71.746  2115.14   85.413  1881.35  132.221   46.663   0.9429   43.978   1.5488 2.685009 1.813281 
1 1 1   13   39    4 o   48.192   0.9119  2207.65   75.132  2154.23   87.032  2363.91  148.851   47.091   0.9521   49.293   1.5556 -2.202019 1.823853 
1 1 1   13   39    5 o   42.507   1.0012  1724.19   73.151  1687.10   85.050  1829.63  143.398   41.667   1.0515   43.348   1.7042 -1.681255 2.002469 
1 1 1   13   39    6 o   9.2213   1.8914   48.929   46.695  171.858   69.129 -54.2279   63.326   13.002   2.8201   5.4407   2.5212 7.561149 3.782833 
1 1 1   13   39    7 o   57.853   0.7081  3250.35   79.479  3396.82  113.805  3110.88  111.046   59.126   0.9916   56.581   1.0110 2.544533 1.416116 
1 1 1   13   39    8 o   85.265   0.8237  7061.52  136.258  7268.05  196.737  6871.13  188.897   86.461   1.1722   84.069   1.1575 2.392250 1.647382 
1 1 1   13   39    9 o   34.044   0.8561  1125.49   56.535  1180.07   81.735  1075.43   78.281   34.834   1.2088   33.254   1.2127 1.580494 1.712220 
1 1 1   13   39   10 o   81.446   0.8128  6448.26  128.461  6585.74  184.824  6319.78  178.676   82.285   1.1571   80.608   1.1419 1.676369 1.625669 
1 1 1   13   39   11 o   15.623   1.8505  241.525   53.464  332.956   80.225  168.473   71.710   18.430   2.2424   12.817   2.9442 5.613617 3.700932 
1 1 1   13   39   12 o   20.830   1.3550  422.540   54.410  497.295   79.811  357.627   74.372   22.551   1.8232   19.109   2.0049 3.442102 2.709923 
1 1 1   13   39   13 o   18.887   1.5502  363.610   54.469  255.922   79.312  459.743   74.936   16.100   2.5377   21.673   1.7812 -5.572111 3.100414 
1 1 1   13   39   14 o   14.735   1.8723  218.745   52.384  203.718   73.541  234.223   74.636   14.085   2.7885   15.385   2.4992 -1.299857 3.744536 
1 1 1   13   39   15 o   27.979   1.0496  765.962   57.008  772.122   80.764  759.845   80.480   28.092   1.4811   27.867   1.4878 0.2252464 2.099286 
1 1 1   13   39   16 o   23.135   1.1934  524.372   53.338  548.441   80.103  505.200   71.491   23.599   1.7486   22.672   1.6244 0.9269753 2.386718 
1 1 1   13   39   17 o   37.933   0.8621  1409.22   63.417  1399.55   91.606  1418.12   87.880   37.800   1.2484   38.066   1.1893 -0.2659721 1.724242 
1 1 1   13   39   18 o   15.553   1.9357  250.626   56.647  293.539   80.717  208.977   79.520   17.071   2.4359   14.036   3.0090 3.034744 3.871330 
1 1 1   13   39   19 o   11.427   2.2902  139.956   55.675  193.359   78.328   85.423   79.152   13.392   3.0775   9.4618   3.3925 3.930663 4.580424 
1 1 1   13   39   20 o   22.942   1.3390  531.542   59.105  467.591   85.371  590.415   81.911   21.548   2.0410   24.336   1.7339 -2.788181 2.678078 
1 1 1   13   39   21 o   12.406   2.2956  175.077   58.351  111.725   85.214  231.007   80.068   10.244   3.5323   14.568   2.9329 -4.324162 4.591164 
1 1 1   13   40    0 f   23.228   1.4085  527.623   52.445  529.223   59.366  521.936  111.921   23.332   1.3107   23.123   2.4934 0.2089748 2.816941 
1 1 1   13   40    1 o   73.860   0.9481  5310.64  125.535  5321.92  151.031  5285.45  225.789   74.010   1.0513   73.709   1.5780 0.3015900 1.896141 
1 1 1   13   40    2 o   69.281   0.9358  4661.02  114.317  4653.23  135.715  4680.04  212.106   69.206   1.0102   69.356   1.5755 -0.1496811 1.871530 
1 1 1   13   40    3 o   20.671   1.9057  466.712   57.294  497.354   64.734  355.918  123.094   22.610   1.4749   18.732   3.5144 3.878777 3.811310 
1 1 1   13   40    4 o   99.791   1.1234  9677.81  205.284  9647.39  251.395  9738.68  355.633   99.603   1.3002   99.979   1.8324 -0.3761902 2.246862 
1 1 1   13   40    5 o   68.842   0.9423  4529.34  112.612  4434.58  131.721  4786.72  217.083   67.556   1.0044   70.127   1.5947 -2.571198 1.884653 
1 1 1   13   40    6 o   76.364   0.9956  5653.92  135.065  5625.98  161.078  5720.08  247.878   76.083   1.0906   76.646   1.6660 -0.5638809 1.991271 
1 1 1   13   40    7 o   74.768   0.9659  5314.72  127.742  5146.95  150.932  5738.37  239.839   72.769   1.0685   76.768   1.6094 -3.998131 1.931833 
1 1 1   13   40    8 o   50.381   0.7275  2469.97   71.041  2317.87  100.639  2621.04  100.296   48.831   1.0617   51.931   0.9949 -3.100105 1.455015 
1 1 1   13   40    9 o   36.581   0.8498  1301.70   60.342  1307.09   85.657  1296.39   85.019   36.656   1.2038   36.506   1.1997 0.1500931 1.699560 
1 1 1   13   40   10 o   22.728   1.1712  504.419   51.477  561.312   73.512  449.678   72.108   23.992   1.5785   21.463   1.7307 2.528080 2.342391 
1 1 1   13   40   11 o   34.863   0.8789  1183.31   59.468  1215.64   84.779  1152.00   83.437   35.332   1.2361   34.393   1.2497 0.9384384 1.757784 
1 1 1   13   40   12 o   32.057   0.9260  1003.01   57.453  983.931   84.080  1019.72   78.690   31.765   1.3636   32.349   1.2531 -0.5843487 1.851925 
1 1 1   13   40   13 o   6.5079   2.0369 -21.6600   50.976 -31.6802   73.017 -12.1322   71.200   6.3488   2.8500   6.6670   2.9111 -0.3181849 4.073884 
1 1 1   13   40   14 o   24.292   1.1466  576.769   53.819  503.662   74.363  657.176   77.988   22.669   1.6899   25.915   1.5503 -3.245201 2.293265 
1 1 1   13   40   15 o   20.697   1.3374  422.071   53.728  428.422   76.681  415.945   75.304   20.850   1.8946   20.545   1.8882 0.3048019 2.674877 
1 1 1   13   40   16 o   28.069   1.0334  767.648   55.682  810.851   86.305  736.842   72.879   28.721   1.5480   27.416   1.3694 1.304466 2.066768 
1 1 1   13   40   17 o   22.192   1.3004  485.269   55.746  515.706   83.912  461.223   74.584   22.796   1.8962   21.587   1.7799 1.209591 2.600721 
1 1 1   13   40   18 f   11.189   1.8401  109.145   54.119  269.937   76.227 -54.2817   76.849   16.349   2.4020   6.0301   2.7884 10.31844 3.680272 
1 1 1   13   40   19 o   15.917   1.8925  267.131   56.251  220.247   80.700  311.435   78.448   14.307   3.0015   17.527   2.3058 -3.219739 3.784961 
1 1 1   13   40   20 o   22.637   1.3087  519.021   56.706  428.114   80.941  606.654   79.469   20.599   2.0243   24.675   1.6591 -4.076443 2.617312 
1 1 1   13   40   21 o   8.0582   2.3276   28.662   58.737   84.274   90.673 -11.5477   77.101   9.4282   3.5846   6.6882   2.9702 2.739913 4.655292 
1 1 1   13   41    0 o   47.072   0.9365  2152.05   73.267  2149.67   84.124  2159.52  149.106   47.041   0.9213   47.103   1.6307 -0.6280899E-01 1.872944 
1 1 1   13   41    1 o   27.970   1.3470  745.797   59.582  734.151   66.801  791.118  131.778   27.479   1.2523   28.461   2.3852 -0.9818268 2.693995 
1 1 1   13   41    2 o   29.790   1.2675  800.025   62.034  749.195   69.910  988.260  134.533   27.757   1.2975   31.824   2.1777 -4.067562 2.534960 
1 1 1   13   41    3 o   59.281   0.9410  3406.03   95.402  3393.20  111.074  3442.14  186.286   59.096   0.9682   59.465   1.6138 -0.3692665 1.881986 
1 1 1   13   41    4 o   92.171   1.0668  8234.69  179.410  8173.56  218.701  8360.47  313.726   91.690   1.2288   92.653   1.7443 -0.9630585 2.133655 
1 1 1   13   41    5 o   11.606   2.5885  117.450   58.408  101.287   67.326  166.624  117.432   10.154   3.1169   13.058   4.1335 -2.903537 5.176978 
1 1 1   13   41    6 o   78.791   0.9841  6070.78  140.535  6126.84  170.969  5953.98  246.769   79.390   1.1094   78.192   1.6258 1.197418 1.968231 
1 1 1   13   41    7 o   80.326   0.9886  6328.00  145.344  6429.45  178.794  6130.32  249.569   81.319   1.1327   79.332   1.6206 1.986427 1.977174 
1 1 1   13   41    8 o   18.154   2.1461  341.512   62.980  353.088   73.029  307.914  124.411   19.015   1.9784   17.293   3.8090 1.722155 4.292192 
1 1 1   13   41    9 o   49.150   0.9590  2282.54   83.754  2185.17   99.064  2526.56  156.827   47.398   1.0767   50.902   1.5872 -3.503937 1.917919 
1 1 1   13   41   10 f   68.321   0.7378  4542.23   97.793  4497.60  140.212  4584.50  136.465   67.991   1.0624   68.651   1.0240 -0.6595078 1.475544 
1 1 1   13   41   11 o   19.339   1.3991  368.910   51.917  304.281   73.227  434.234   73.620   17.608   2.1423   21.069   1.8000 -3.460754 2.798153 
1 1 1   13   41   12 o   35.843   0.8341  1254.10   57.905  1342.27   81.589  1164.62   82.193   37.120   1.1323   34.566   1.2250 2.554192 1.668122 
1 1 1   13   41   13 o   19.516   1.4525  369.097   53.122  522.317   80.569  251.267   70.654   23.077   1.7986   15.955   2.2813 7.121564 2.905011 
1 1 1   13   41   14 o   17.396   1.6660  301.036   55.897  341.184   79.339  261.466   78.766   18.575   2.2003   16.217   2.5021 2.357981 3.331940 
1 1 1   13   41   15 o   37.666   0.8496  1391.44   61.736  1339.92   91.541  1434.43   83.613   37.007   1.2743   38.324   1.1239 -1.316826 1.699115 
1 1 1   13   41   16 o   8.0297   2.2739   36.940   53.697   50.015   79.870   26.156   72.537   8.4897   3.3278   7.5698   3.0996 0.9198461 4.547779 
1 1 1   13   41   17 o   13.213   2.0916  181.235   54.735  262.107   80.010  110.094   75.043   16.098   2.5604   10.327   3.3080 5.770737 4.183154 
1 1 1   13   41   18 f   11.208   2.3136  135.658   54.773   99.181   79.330  168.888   75.717   9.9224   3.4089   12.493   3.1290 -2.570537 4.627217 
1 1 1   13   41   19 o   13.576   2.1379  192.798   54.858  263.405   85.553  143.496   71.489   15.685   2.9173   11.467   3.1259 4.218140 4.275743 
1 1 1   13   41   20 o   8.4559   2.1755   33.946   58.030 -94.0651   87.249  135.498   77.711   5.8573   2.7891   11.054   3.3396 -5.197156 4.351084 
1 1 1   13   41   21 o   36.755   0.9868  1345.54   69.891  1314.21  104.604  1370.80   93.937   36.311   1.4840   37.198   1.3009 -0.8866272 1.973500 
1 1 1   13   42    0 o   62.412   0.9451  3782.62  101.417  3776.05  118.491  3800.60  196.111   62.340   0.9792   62.484   1.6168 -0.1443367 1.890215 
1 1 1   13   42    1 o   74.398   0.9665  5372.49  127.245  5356.79  151.398  5410.26  234.830   74.245   1.0505   74.551   1.6227 -0.3061676 1.933027 
1 1 1   13   42    2 o   65.199   0.9204  4140.45  107.185  4150.91  128.596  4116.65  193.992   65.359   1.0136   65.040   1.5365 0.3187866 1.840716 
1 1 1   13   42    3 o   88.353   1.0726  7693.82  170.984  7867.77  207.926  7330.50  300.498   89.961   1.1907   86.746   1.7845 3.214417 2.145290 
1 1 1   13   42    4 o   35.499   1.0778  1151.50   67.408  1058.86   78.690  1406.88  130.652   32.999   1.2284   38.000   1.7712 -5.000595 2.155514 
1 1 1   13   42    5 o   39.536   1.0257  1529.01   72.144  1540.89   86.411  1501.69  131.070   39.812   1.1181   39.260   1.7198 0.5527153 2.051354 
1 1 1   13   42    6 o   73.953   0.9586  5324.86  127.568  5329.98  153.908  5313.60  228.022   74.046   1.0708   73.861   1.5904 0.1846085 1.917233 
1 1 1   13   42    7 o   27.408   1.2525  700.056   63.221  636.823   76.576  835.431  112.045   25.567   1.5429   29.249   1.9734 -3.681904 2.505002 
1 1 1   13   42    8 o   44.498   0.9750  1917.77   77.967  1900.18   93.737  1957.26  140.447   44.198   1.0926   44.798   1.6151 -0.6002388 1.949912 
1 1 1   13   42    9 o   68.350   0.9427  4572.25  116.632  4610.11  141.703  4492.73  205.361   68.837   1.0605   67.862   1.5589 0.9751892 1.885420 
1 1 1   13   42   10 o   23.660   1.7983  563.788   80.567  677.244  111.217  438.507  116.870   26.268   2.1811   21.053   2.8597 5.215031 3.596570 
1 1 1   13   42   11 o   27.961   1.1980  747.868   63.501  691.489   80.306  841.937  103.731   26.603   1.5551   29.318   1.8227 -2.715424 2.395901 
1 1 1   13   42   12 o   30.590   0.9302  907.559   54.959  1046.54   80.976  788.858   74.835   32.753   1.2736   28.427   1.3562 4.326416 1.860464 
1 1 1   13   42   13 o   13.181   2.0348  177.706   50.601  216.139   75.532  146.414   68.155   14.494   2.7858   11.867   2.9666 2.626577 4.069594 
1 1 1   13   42   14 o   34.194   0.8841  1144.20   58.616  1189.98   82.232  1096.91   83.576   34.897   1.2139   33.491   1.2855 1.406162 1.768106 
1 1 1   13   42   15 o   26.930   1.1005  714.230   57.220  704.566   85.117  722.200   77.291   26.744   1.6395   27.116   1.4684 -0.3720150 2.200943 
1 1 1   13   42   16 o   10.265   2.3559  100.940   54.874  150.493   83.467   63.220   72.823   11.862   3.4303   8.6671   3.2302 3.195254 4.711820 
1 1 1   13   42   17 o   14.284   2.0544  209.968   55.964  287.220   84.224  148.895   74.887   16.808   2.5814   11.761   3.1966 5.047050 4.108749 
1 1 1   13   42   18 o   28.926   1.0599  825.710   59.083  841.726   89.434  813.307   78.702   29.144   1.5808   28.708   1.4123 0.4365692 2.119802 
1 1 1   13   42   19 o   26.878   1.1545  713.949   59.902  767.488   90.644  672.440   79.813   27.745   1.6830   26.011   1.5807 1.734108 2.308933 
1 1 1   13   42   20 o   33.212   1.1952  1089.36   75.681  1023.31   97.061  1191.80  120.873   32.025   1.5613   34.400   1.8101 -2.375004 2.390476 
1 1 1   13   43    0 o   31.486   1.1791  978.984   61.630  992.112   70.991  938.823  124.171   31.947   1.1447   31.025   2.0618 0.9223385 2.358257 
1 1 1   13   43    1 o   10.991   2.2445  136.976   54.939  181.303   62.105 -22.5261  117.810   13.410   2.4771   8.5721   3.7437 4.837856 4.488992 
1 1 1   13   43    2 o   36.303   1.1063  1224.43   68.393  1165.85   78.666  1405.81  138.421   34.629   1.1703   37.976   1.8777 -3.347187 2.212519 
1 1 1   13   43    3 o   60.287   0.9491  3500.40   99.593  3456.79  116.920  3615.69  190.113   59.640   1.0099   60.935   1.6072 -1.294811 1.898204 
1 1 1   13   43    4 o   48.708   0.9678  2357.18   82.104  2422.66   97.434  2196.82  152.486   49.927   1.0053   47.488   1.6542 2.438599 1.935695 
1 1 1   13   43    5 o   43.752   1.0096  1853.33   76.960  1840.69   90.532  1886.29  146.135   43.512   1.0718   43.991   1.7113 -0.4790726 2.019235 
1 1 1   13   43    6 o   27.850   1.4033  745.214   67.584  730.665   78.912  785.255  130.914   27.388   1.4843   28.312   2.3820 -0.9245644 2.806619 
1 1 1   13   43    7 o   40.170   0.9854  1581.23   69.774  1594.38   83.033  1549.63  128.713   40.487   1.0565   39.853   1.6638 0.6343918 1.970875 
1 1 1   13   43    8 o   31.305   1.1363  984.084   65.363  1053.15   82.042  864.069  108.151   32.883   1.2853   29.727   1.8742 3.155956 2.272573 
1 1 1   13   43    9 o   21.402   1.6445  396.457   64.082  277.410   77.008  664.515  115.556   16.797   2.3618   26.007   2.2890 -9.209980 3.289043 
1 1 1   13   43   10 o   23.345   1.5174  524.987   61.032  512.987   71.075  558.680  119.091   22.911   1.5981   23.779   2.5800 -0.8682938 3.034830 
1 1 1   13   43   11 o   23.232   1.4364  516.300   62.005  484.060   76.233  579.318  106.580   22.225   1.7670   24.240   2.2651 -2.014334 2.872761 
1 1 1   13   43   12 o   13.405   2.4690  196.233   63.675  219.586   77.573  147.999  111.485   14.606   2.8383   12.204   4.0407 2.401979 4.937942 
1 1 1   13   43   13 o   26.138   1.4090  679.552   66.858  689.669   81.653  658.969  116.463   26.515   1.5864   25.760   2.3290 0.7542419 2.817968 
1 1 1   13   43   14 o   18.953   1.5539  369.527   54.937  265.911   80.127  461.446   75.468   16.283   2.5350   21.624   1.7979 -5.340910 3.107840 
1 1 1   13   43   15 o   33.178   0.8904  1081.11   57.005  1057.05   84.836  1100.91   76.970   32.822   1.3315   33.534   1.1824 -0.7123947 1.780742 
1 1 1   13   43   16 o   21.033   1.3495  439.372   55.080  452.956   79.101  426.586   76.743   21.348   1.9088   20.718   1.9082 0.6305923 2.699040 
1 1 1   13   43   17 f   6.3025   2.0215 -36.8798   53.723 -16.3171   77.936 -55.4966   74.156   6.7468   2.9917   5.8581   2.7195 0.8886347 4.043001 
1 1 1   13   43   18 f   18.027   1.5886  331.691   55.160  308.734   81.267  351.302   75.113   17.387   2.4079   18.667   2.0729 -1.280287 3.177206 
1 1 1   13   43   19 o   12.359   2.2797  170.091   55.218  171.096   80.029  169.178   76.284   12.374   3.2791   12.344   3.1677 0.2957344E-01 4.559320 
1 1 1   13   43   20 o   32.585   1.0867  1053.61   68.270  1239.58  100.551  894.562   92.987   35.276   1.4684   29.894   1.6024 5.381838 2.173469 
1 1 1   13   44    0 o   46.602   0.9756  2055.96   75.623  2004.73   86.376  2224.13  156.510   45.420   0.9797   47.783   1.6873 -2.363598 1.951105 
1 1 1   13   44    1 o   40.172   1.0687  1549.07   68.686  1532.60   77.426  1609.90  148.816   39.711   1.0044   40.633   1.8867 -0.9220047 2.137403 
1 1 1   13   44    2 o  147.089   1.5988 21165.21  428.773 21208.01  523.684 21078.18  746.822  147.488   1.8291  146.690   2.6227 0.7984314 3.197557 
1 1 1   13   44    3 o   69.999   0.9578  4738.44  119.489  4693.81  142.697  4843.15  218.581   69.486   1.0579   70.512   1.5969 -1.025192 1.915562 
1 1 1   13   44    4 o   42.025   1.0533  1699.82   74.173  1680.31   85.289  1760.37  150.256   41.572   1.0569   42.479   1.8222 -0.9065857 2.106517 
1 1 1   13   44    5 o   12.199   2.6407  123.061   61.122   94.279   70.045  214.934  125.144   9.9016   3.1986   14.497   4.2026 -4.595153 5.281383 
1 1 1   13   44    6 o   34.607   1.1923  1216.90   70.975  1279.56   84.186  1062.93  131.974   36.258   1.1961   32.955   2.0630 3.302540 2.384660 
1 1 1   13   44    7 o   46.255   0.9753  2080.04   79.693  2072.96   94.705  2097.21  147.505   46.159   1.0569   46.351   1.6394 -0.1917267 1.950565 
1 1 1   13   44    8 o   40.932   0.9879  1624.01   72.504  1608.77   87.005  1658.65  131.166   40.654   1.1025   41.209   1.6397 -0.5542870 1.975883 
1 1 1   13   44    9 o   46.784   0.9126  2119.80   79.745  2083.34   99.587  2184.96  133.135   46.254   1.1091   47.313   1.4496 -1.059677 1.825239 
1 1 1   13   44   10 o   23.701   1.5471  540.693   66.502  519.262   80.072  588.348  119.399   23.018   1.7921   24.385   2.5224 -1.367641 3.094175 
1 1 1   13   44   11 o   16.079   2.2601  279.994   61.355  299.243   72.115  229.534  116.758   17.425   2.1320   14.733   3.9859 2.691990 4.520270 
1 1 1   13   44   12 o   33.902   1.0375  1107.79   65.134  1069.09   80.172  1182.93  111.713   33.085   1.2483   34.720   1.6575 -1.634453 2.075018 
1 1 1   13   44   13 o   8.5096   2.4068   40.059   62.036   76.600   75.033 -38.8764  110.282   9.2225   3.3034   7.7968   3.5010 1.425641 4.813526 
1 1 1   13   44   14 o   27.028   1.2743  735.225   64.991  786.443   84.529  661.169  101.642   28.268   1.5404   25.788   2.0305 2.480055 2.548671 
1 1 1   13   44   15 o   15.126   2.3728  230.978   65.949  187.234   81.819  312.114  111.429   13.218   3.2187   17.035   3.4872 -3.816435 4.745595 
1 1 1   13   44   16 o   12.574   2.6714  169.538   67.878  161.502   83.455  185.243  116.673   12.190   3.3990   12.958   4.1221 -0.7682962 5.342701 
1 1 1   13   44   17 o   22.878   1.5124  535.566   65.608  572.576   86.159  484.488  101.218   23.940   1.8540   21.816   2.3901 2.123276 3.024889 
1 1 1   13   44   18 f   34.804   1.1491  1192.09   76.205  1137.12   97.851  1276.81  121.483   33.866   1.4885   35.742   1.7510 -1.875736 2.298117 
1 1 1   13   44   19 o   16.942   1.8722  299.355   60.972  313.813   93.703  288.738   80.295   17.217   2.8036   16.666   2.4820 0.5516796 3.744419 
1 1 1   13   45    0 o   50.604   0.9034  2445.65   80.215  2387.06   94.410  2597.74  152.108   49.558   0.9814   51.650   1.5171 -2.091511 1.806858 
1 1 1   13   45    1 o   70.624   0.9378  4884.04  119.741  4938.29  145.420  4769.80  211.019   71.271   1.0511   69.977   1.5535 1.294189 1.875644 
1 1 1   13   45    2 o   78.380   0.9830  6005.87  139.706  6051.85  169.967  5910.09  245.297   78.887   1.1099   77.872   1.6227 1.014893 1.965997 
1 1 1   13   45    3 o   7.4428   2.3101 -45.1791   60.329 -80.5263   72.274   36.049  109.561   5.5041   2.5963   9.3814   3.8217 -3.877321 4.620236 
1 1 1   13   45    4 o   26.480   1.3214  690.811   62.773  700.547   75.822  669.599  111.918   26.813   1.4568   26.147   2.2050 0.6657887 2.642806 
1 1 1   13   45    5 o   27.303   1.3191  768.230   62.840  829.624   75.860  633.981  112.178   29.183   1.3391   25.423   2.2731 3.759415 2.638190 
1 1 1   13   45    6 o   20.443   1.8876  450.163   62.380  490.885   73.881  349.053  116.417   22.419   1.6977   18.467   3.3718 3.951761 3.775112 
1 1 1   13   45    7 o   28.040   1.3686  772.606   66.539  775.902   78.283  764.024  126.304   28.205   1.4298   27.875   2.3342 0.3297729 2.737293 
1 1 1   13   45    8 o   19.051   1.7900  330.864   59.077  301.055   68.141  421.082  118.545   17.517   2.0039   20.586   2.9666 -3.068487 3.579985 
1 1 1   13   45    9 o   49.130   0.9231  2411.75   82.040  2522.70  100.681  2192.52  141.531   50.901   1.0190   47.358   1.5395 3.543465 1.846199 
1 1 1   13   45   10 o   27.525   1.3367  777.100   65.558  838.078   80.306  655.275  113.509   29.287   1.4125   25.762   2.2698 3.525036 2.673398 
1 1 1   13   45   11 o   32.400   1.2115  1012.33   69.570  986.808   82.476  1075.29  129.529   31.776   1.3371   33.024   2.0206 -1.248087 2.422923 
1 1 1   13   45   12 o   18.054   1.9607  353.919   61.175  401.032   76.395  269.707  102.136   20.144   1.9537   15.964   3.4000 4.179607 3.921333 
1 1 1   13   45   13 o   16.097   2.1603  231.053   63.210  142.645   75.953  430.229  114.004   11.604   3.2451   20.589   2.8524 -8.985411 4.320568 
1 1 1   13   45   14 o   21.649   1.8591  531.350   65.534  619.940   80.223  353.652  113.618   25.062   1.6490   18.236   3.3325 6.826050 3.718179 
1 1 1   13   45   15 f   29.983   1.3279  901.830   71.844  916.505   87.348  871.141  126.314   30.500   1.4753   29.465   2.2084 1.034611 2.655848 
1 1 1   13   45   16 o   10.846   2.6491  122.849   67.278  136.358   83.833   98.407  112.765   11.234   3.4830   10.457   3.9924 0.7763739 5.298178 
1 1 1   13   45   17 o   23.633   1.6259  561.179   72.480  538.515   91.501  599.349  118.749   23.118   2.0390   24.149   2.5332 -1.030788 3.251852 
1 1 1   13   45   18 o   16.758   2.3748  315.180   71.573  327.476   88.128  291.354  122.674   17.763   2.5559   15.753   4.0033 2.009266 4.749629 
1 1 1   13   45   19 o   10.691   2.4075  118.157   73.726  225.763   90.588 -92.9452  126.882   14.070   3.3626   7.3123   3.4464 6.757763 4.815044 
1 1 1   13   46    0 o   9.3358   2.5742   50.613   58.366   43.490   66.368   74.926  122.612   7.9988   3.0607   10.673   4.1399 -2.674098 5.148405 
1 1 1   13   46    1 o   50.075   0.9869  2501.64   85.418  2577.66  100.972  2310.29  160.186   51.487   1.0103   48.663   1.6958 2.824360 1.973894 
1 1 1   13   46    2 o   31.612   1.2079  936.546   64.233  900.057   73.553  1053.78  131.842   30.407   1.2461   32.816   2.0697 -2.409111 2.415861 
1 1 1   13   46    3 o   51.188   0.9270  2534.64   83.063  2512.05   97.962  2592.42  156.682   50.823   0.9930   51.553   1.5657 -0.7300835 1.853984 
1 1 1   13   46    4 o   59.765   0.9237  3473.38   98.942  3463.71  118.878  3495.18  178.487   59.671   1.0263   59.859   1.5361 -0.1872368 1.847390 
1 1 1   13   46    5 o   32.518   1.1436  1024.85   65.804  1014.13   78.167  1050.94  121.922   32.267   1.2480   32.769   1.9167 -0.5017166 2.287169 
1 1 1   13   46    6 o   10.232   2.6089   87.222   59.890   85.856   69.055   91.370  120.306   9.5302   3.1813   10.934   4.1358 -1.404117 5.217836 
1 1 1   13   46    7 o   43.205   0.9733  1817.35   76.690  1809.84   93.530  1832.75  133.973   43.107   1.1177   43.302   1.5938 -0.1950035 1.946685 
1 1 1   13   46    8 o   8.7754   2.4986   42.384   62.872   60.755   74.615  -2.5958  116.751   8.7828   3.2704   8.7679   3.7784 0.1485920E-01 4.997169 
1 1 1   13   46    9 o   52.758   0.9419  2696.01   87.903  2665.66  104.373  2770.08  163.034   52.314   1.0278   53.202   1.5787 -0.8877449 1.883745 
1 1 1   13   46   10 f   9.3354   2.5109   67.655   62.350   92.044   74.092   8.4797  115.411   9.7930   3.2952   8.8778   3.7895 0.9152136 5.021829 
1 1 1   13   46   11 o   25.428   1.5415  684.431   68.800  763.467   84.485  528.823  118.545   27.889   1.5606   22.967   2.6589 4.921587 3.083071 
1 1 1   13   46   12 o   23.981   1.4467  558.169   63.530  533.928   77.162  609.184  111.937   23.271   1.7081   24.691   2.3355 -1.419552 2.893450 
1 1 1   13   46   13 o   18.165   1.8710  327.207   63.580  308.960   79.033  360.677  107.041   17.550   2.3198   18.780   2.9362 -1.229847 3.742045 
1 1 1   13   46   14 o   18.322   1.9181  334.250   65.576  315.880   81.264  368.543  111.030   17.718   2.3628   18.926   3.0221 -1.208130 3.836127 
1 1 1   13   46   15 o   33.969   1.2017  1133.92   73.077  1116.57   87.545  1173.79  132.710   33.685   1.3388   34.252   1.9960 -0.5672646 2.403404 
1 1 1   13   46   16 o   17.533   2.0931  330.669   65.981  344.982   82.887  305.911  109.012   18.423   2.3177   16.643   3.4859 1.779989 4.186110 
1 1 1   13   46   17 o   31.534   1.2575  973.016   73.157  925.632   89.494  1068.45  127.010   30.537   1.5097   32.530   2.0113 -1.992958 2.514912 
1 1 1   13   46   18 o   19.104   2.0234  342.035   69.625  270.190   81.863  529.900  132.377   16.045   2.6284   22.163   3.0770 -6.118097 4.046753 
1 1 1   13   47    0 o   54.037   0.9567  2880.48   89.645  2925.91  105.755  2764.51  168.974   54.850   0.9933   53.224   1.6355 1.625923 1.913474 
1 1 1   13   47    1 o   32.549   1.2553  1078.62   67.367  1121.65   77.949  951.637  133.915   33.945   1.1830   31.153   2.2145 2.792080 2.510623 
1 1 1   13   47    2 o   36.954   1.1034  1311.77   67.488  1293.31   77.110  1372.19  139.512   36.457   1.0896   37.452   1.9190 -0.9949074 2.206762 
1 1 1   13   47    3 o   33.687   1.1802  1126.90   66.340  1145.39   76.679  1071.90  132.281   34.301   1.1516   33.074   2.0604 1.227345 2.360384 
1 1 1   13   47    4 o   28.479   1.3890  813.586   66.262  833.529   76.919  756.203  130.477   29.240   1.3551   27.717   2.4251 1.523527 2.778022 
1 1 1   13   47    5 o   20.955   1.7383  426.472   63.136  418.738   73.884  447.404  121.552   20.679   1.8406   21.230   2.9495 -0.5504055 3.476675 
1 1 1   13   47    6 o   11.787   2.4964  107.024   58.104   62.286   67.529  234.582  114.026   8.6248   3.1280   14.950   3.8914 -6.324842 4.992763 
1 1 1   13   47    7 o   44.565   0.9484  1894.98   77.045  1816.99   93.138  2064.00  137.118   43.184   1.1111   45.945   1.5374 -2.761147 1.896866 
1 1 1   13   47    8 o   12.057   2.5005  156.414   63.204  186.628   77.329   95.611  109.697   13.405   3.0415   10.709   3.9698 2.696641 5.000976 
1 1 1   13   47    9 o   30.437   1.3419  969.709   70.041  1051.57   83.846  780.670  127.416   32.807   1.3166   28.068   2.3386 4.738958 2.683737 
1 1 1   13   47   10 o   28.685   1.2535  799.135   63.344  784.124   74.897  836.848  118.717   28.302   1.3633   29.068   2.1039 -0.7660542 2.506967 
1 1 1   13   47   11 o   21.959   1.5544  491.044   60.015  507.806   71.915  452.589  108.928   22.714   1.6310   21.204   2.6465 1.509996 3.108701 
1 1 1   13   47   12 o   7.0051   2.1791 -39.8311   64.055   37.392   77.902 -201.0249  112.551   8.0687   3.2456   5.9416   2.9085 2.127086 4.358103 
1 1 1   13   47   13 o   10.824   2.5092  120.292   62.579  153.505   84.684   80.337   92.882   11.963   3.4540   9.6857   3.6405 2.277025 5.018334 
1 1 1   13   47   14 o   8.5423   2.5307   29.899   67.174   28.804   82.032   32.128  117.034   7.9390   3.2786   9.1457   3.8561 -1.206615 5.061485 
1 1 1   13   47   15 o   21.885   1.7445  470.034   70.277  432.513   85.313  549.246  123.957   20.719   2.1212   23.052   2.7702 -2.332792 3.489024 
1 1 1   13   47   16 o   33.540   1.1534  1121.75   73.113  1130.35   93.586  1108.29  117.122   33.802   1.4263   33.277   1.8131 0.5247040 2.306864 
1 1 1   13   47   17 f   22.536   1.7821  474.963   73.952  357.129   89.357  731.116  131.747   18.565   2.4795   26.507   2.5604 -7.942234 3.564261 
1 1 1   13   48    0 f   17.807   2.0255  334.590   59.652  354.654   70.587  284.455  111.576   19.036   1.9102   16.579   3.5724 2.457487 4.051034 
1 1 1   13   48    1 o   36.586   1.0801  1362.27   69.254  1448.07   83.389  1171.53  124.326   38.570   1.1138   34.603   1.8509 3.966595 2.160179 
1 1 1   13   48    2 o   21.921   1.5721  471.371   59.592  470.536   69.903  473.590  114.001   21.945   1.6409   21.896   2.6821 0.4910088E-01 3.144222 
1 1 1   13   48    3 o   11.083   2.5135  110.788   56.181   95.908   65.873  150.494  107.605   9.8541   3.0928   12.311   3.9631 -2.457259 5.027095 
1 1 1   13   48    4 o   22.997   1.5958  581.088   62.284  687.099   76.720  376.143  106.672   26.524   1.4900   19.470   2.8224 7.054367 3.191578 
1 1 1   13   48    5 o   11.040   2.6076  103.482   61.388   78.335   72.996  164.232  113.456   9.3253   3.2662   12.754   4.0656 -3.429133 5.215114 
1 1 1   13   48    6 o   23.068   1.6367  558.137   62.510  593.956   73.055  460.237  120.778   24.646   1.5270   21.489   2.8953 3.156559 3.273336 
1 1 1   13   48    7 o   31.191   1.2574  971.997   68.372  995.627   81.156  914.213  126.909   31.933   1.3092   30.448   2.1472 1.485033 2.514828 
1 1 1   13   48    8 o   29.049   1.2346  802.080   65.506  753.842   79.071  907.625  116.961   27.752   1.4678   30.346   1.9855 -2.594046 2.469122 
1 1 1   13   48    9 o   54.550   0.9339  2943.79   93.487  3014.50  115.595  2810.08  158.951   55.583   1.0714   53.518   1.5300 2.064705 1.867833 
1 1 1   13   48   10 o   31.072   1.2687  970.910   70.044  999.894   84.402  906.784  125.544   31.941   1.3613   30.203   2.1413 1.738281 2.537394 
1 1 1   13   48   11 o   14.949   2.2364  278.892   63.869  372.824   78.770   98.610  109.125   19.342   2.0980   10.556   3.9503 8.785583 4.472827 
1 1 1   13   48   12 o   19.890   1.9950  442.670   65.498  499.106   79.566  324.032  115.362   22.443   1.8264   17.337   3.5473 5.105247 3.989902 
1 1 1   13   48   13 o   15.309   2.2233  258.302   62.833  290.994   80.051  205.839  101.409   16.959   2.4316   13.658   3.7229 3.301330 4.446654 
1 1 1   13   48   14 o   28.077   1.4234  768.690   72.724  729.793   87.703  854.302  130.113   27.114   1.6663   29.040   2.3081 -1.926262 2.846759 
1 1 1   13   48   15 o   8.9292   2.4536   57.636   64.976  105.657   84.697 -11.0498  101.295   10.132   3.5200   7.7267   3.4192 2.404932 4.907253 
1 1 1   13   48   16 o   14.995   2.5058  264.533   71.570  297.115   88.256  201.953  122.313   16.872   2.6947   13.118   4.2256 3.754136 5.011687 
1 1 1   13   48   17 o   15.388   2.5411  283.481   73.579  312.275   90.147  226.010  127.356   17.196   2.7006   13.581   4.3052 3.614590 5.082147 
1 1 1   13   49    0 o   12.250   2.5913  148.342   59.304  148.032   67.364  149.411  125.028   11.982   2.9224   12.517   4.2802 -0.5355968 5.182680 
1 1 1   13   49    1 o   24.584   1.6080  620.713   63.600  643.263   72.803  548.050  130.690   25.669   1.4611   23.500   2.8649 2.169268 3.215972 
1 1 1   13   49    2 o   13.954   2.3833  234.178   61.555  276.667   70.239   93.521  127.797   16.772   2.1574   11.135   4.2504 5.637306 4.766530 
1 1 1   13   49    3 o   36.426   1.1112  1303.13   67.173  1308.54   77.202  1286.26  136.281   36.653   1.0851   36.200   1.9394 0.4533920 2.222308 
1 1 1   13   49    4 o   54.761   0.9320  2856.14   90.326  2760.30  106.737  3097.93  169.536   53.239   1.0328   56.283   1.5517 -3.043613 1.864032 
1 1 1   13   49    5 o   28.815   1.2587  818.598   65.619  826.248   79.747  802.559  115.472   29.080   1.4127   28.550   2.0836 0.5305061 2.517345 
1 1 1   13   49    6 o   18.758   1.8110  339.973   61.972  322.538   74.876  377.889  110.419   18.082   2.1333   19.434   2.9270 -1.351992 3.621917 
1 1 1   13   49    7 o   14.567   2.1809  285.570   63.315  387.677   74.668   24.284  119.445   19.834   1.9394   9.2997   3.9069 10.53385 4.361825 
1 1 1   13   49    8 o   42.868   1.0321  1852.46   77.437  1925.90   92.549  1681.03  141.399   44.424   1.0732   41.313   1.7632 3.110462 2.064113 
1 1 1   13   49    9 o   31.021   1.2491  942.169   68.013  932.392   80.391  966.790  127.572   30.847   1.3426   31.195   2.1067 -0.3480263 2.498147 
1 1 1   13   49   10 o   9.4869   2.4146   74.905   63.941  134.180   79.082 -37.0132  108.665   11.264   3.3613   7.7096   3.4674 3.554705 4.829231 
1 1 1   13   49   11 o   30.463   1.2725  935.375   70.924  971.975   87.882  867.010  120.109   31.442   1.4399   29.484   2.0986 1.957880 2.545046 
1 1 1   13   49   12 o   12.960   2.5495  170.254   66.623  117.567   84.597  256.293  108.106   10.658   3.5195   15.262   3.6896 -4.604792 5.099025 
1 1 1   13   49   13 o   25.418   1.5179  636.283   69.314  614.104   82.952  687.595  126.170   24.862   1.7188   25.974   2.5024 -1.112177 3.035826 
1 1 1   13   49   14 f   7.4625   2.3580 -50.3970   65.583 -95.4028   78.857   50.568  118.111   5.4887   2.6240   9.4363   3.9185 -3.947588 4.715945 
1 1 1   13   49   15 o   14.279   2.3950  223.941   64.604  203.212   83.946  254.053  101.176   13.539   3.2377   15.018   3.5302 -1.478473 4.790063 
1 1 1   13   49   16 o   24.306   1.7016  618.989   75.241  634.779   92.642  588.389  128.965   25.052   1.9050   23.559   2.8200 1.492805 3.403145 
1 1 1   13   50    0 o   35.429   1.0497  1200.74   65.252  1167.68   76.756  1286.90  123.918   34.616   1.1423   36.242   1.7614 -1.625435 2.099361 
1 1 1   13   50    1 o   24.935   1.3841  579.203   61.854  533.619   73.177  693.262  115.754   23.353   1.6142   26.518   2.2487 -3.164640 2.768135 
1 1 1   13   50    2 o   55.906   0.9480  3063.73   93.470  3081.68  111.217  3020.53  172.483   56.254   1.0185   55.559   1.5993 0.6957207 1.896059 
1 1 1   13   50    3 o   23.090   1.6140  507.916   61.704  491.655   70.271  562.678  128.955   22.409   1.6154   23.770   2.7948 -1.360344 3.228061 
1 1 1   13   50    4 o   73.045   0.9845  5223.36  128.283  5237.74  153.807  5190.51  232.526   73.309   1.0808   72.781   1.6459 0.5286026 1.969013 
1 1 1   13   50    5 o   30.767   1.2556  890.029   66.524  846.617   77.014  1017.63  132.034   29.431   1.3480   32.103   2.1187 -2.671747 2.511218 
1 1 1   13   50    6 o   7.2777   2.2456  -9.9986   59.662   23.756   71.654 -86.2933  107.726   7.5287   3.0815   7.0268   3.2673 0.5018883 4.491183 
1 1 1   13   50    7 o   25.163   1.3588  627.743   63.588  633.057   79.534  618.328  105.867   25.377   1.6145   24.949   2.1860 0.4279594 2.717545 
1 1 1   13   50    8 o   13.588   2.4361  184.171   58.902  166.949   68.841  231.232  113.798   12.601   2.8776   14.575   3.9317 -1.974607 4.872206 
1 1 1   13   50    9 o   28.591   1.3221  834.153   66.036  868.849   78.938  753.260  120.532   29.750   1.3669   27.432   2.2635 2.318144 2.644204 
1 1 1   13   50   10 o   23.871   1.4745  567.517   65.962  565.864   83.126  570.328  108.392   23.907   1.7912   23.835   2.3427 0.7210159E-01 2.949054 
1 1 1   13   50   11 o   9.3495   2.5717   38.814   65.605  -7.2777   79.307  138.721  116.761   7.0229   3.0692   11.676   4.1274 -4.653176 5.143476 
1 1 1   13   50   12 o   11.088   2.6990  111.426   66.588   78.887   79.925  185.261  120.396   9.2632   3.3964   12.913   4.1954 -3.649373 5.397902 
1 1 1   13   50   13 o   10.173   2.7145   88.332   69.090   69.464   83.529  129.201  122.934   9.0162   3.4375   11.330   4.2021 -2.314183 5.428989 
1 1 1   13   50   14 o   10.494   2.5858  100.911   66.629   47.245   86.572  178.885  104.353   8.4463   3.4130   12.542   3.8856 -4.096119 5.171689 
1 1 1   13   50   15 o   12.590   2.7157  176.513   69.871  155.707   86.478  215.633  118.578   11.720   3.5190   13.461   4.1373 -1.741352 5.431443 
1 1 1   13   50   16 o   12.061   2.4650  177.305   71.325  259.115   89.265   32.843  118.620   15.248   3.1209   8.8743   3.8163 6.373875 4.929921 
1 1 1   13   51    0 f   47.628   1.0925  2205.88   98.504  2159.33  125.477  2280.64  159.016   47.017   1.3748   48.239   1.6982 -1.221821 2.184924 
1 1 1   13   51    1 o   33.492   1.1964  1110.69   68.247  1123.18   79.624  1076.09  132.487   33.931   1.2089   33.052   2.0649 0.8793602 2.392766 
1 1 1   13   51    2 o   53.431   0.9361  2792.50   88.826  2798.41  106.124  2778.66  162.329   53.594   1.0201   53.267   1.5699 0.3267784 1.872191 
1 1 1   13   51    3 o   39.939   1.0156  1582.19   72.010  1615.74   86.455  1506.21  130.122   40.706   1.0941   39.171   1.7113 1.534954 2.031153 
1 1 1   13   51    4 o   31.350   1.2035  985.680   67.396  1019.62   81.619  912.944  119.488   32.295   1.3019   30.405   2.0245 1.890171 2.406965 
1 1 1   13   51    5 o   27.118   1.3791  711.801   66.068  691.599   78.108  762.599  123.858   26.550   1.5155   27.686   2.3046 -1.135736 2.758247 
1 1 1   13   51    6 o   38.151   1.0784  1391.07   73.682  1333.21   87.731  1529.58  135.743   36.921   1.2241   39.382   1.7757 -2.460632 2.156708 
1 1 1   13   51    7 o   12.764   2.3956  140.680   63.908   55.436   78.782  304.724  109.289   8.6286   3.3264   16.899   3.4484 -8.269958 4.791257 
1 1 1   13   51    8 o   40.582   1.0109  1615.72   76.097  1608.55   94.538  1628.92  128.250   40.529   1.2016   40.636   1.6259 -0.1063995 2.021727 
1 1 1   13   51    9 o   40.771   1.0329  1609.65   74.343  1574.87   87.967  1696.58  139.068   40.121   1.1295   41.421   1.7296 -1.300442 2.065715 
1 1 1   13   51   10 o   21.465   1.5475  428.673   61.226  362.894   73.807  573.827  109.640   19.075   1.9933   23.855   2.3677 -4.779936 3.095059 
1 1 1   13   51   11 o   18.767   2.2213  393.130   69.515  422.374   83.086  324.892  126.919   20.515   2.0864   17.019   3.9223 3.495741 4.442651 
1 1 1   13   51   12 o   17.538   2.2060  318.284   69.421  298.497   84.635  358.970  121.361   17.062   2.5554   18.013   3.5967 -0.9512100 4.412001 
1 1 1   13   51   13 o   10.071   2.7175   87.305   70.056   70.347   85.216  122.660  123.045   9.0426   3.4662   11.099   4.1863 -2.056103 5.435083 
1 1 1   13   51   14 o   23.092   1.5770  545.062   69.993  544.689   92.840  545.552  106.539   23.166   2.0645   23.017   2.3845 0.1489830 3.154023 
1 1 1   13   51   15 o   40.596   1.1429  1665.43   85.879  1703.94  107.320  1596.86  143.198   41.454   1.3337   39.738   1.8564 1.716057 2.285799 
1 1 1   13   52    0 f   17.569   1.9607  275.209   61.151  216.105   72.090  426.857  115.473   14.508   2.6578   20.631   2.8834 -6.123015 3.921438 
1 1 1   13   52    1 o   13.068   2.5858  171.972   62.567  162.932   73.037  196.896  121.276   12.477   3.0428   13.659   4.1818 -1.181765 5.171650 
1 1 1   13   52    2 o   9.4404   2.5919   65.692   62.012   72.268   71.389   45.474  125.174   9.0093   3.2227   9.8715   4.0604 -0.8621349 5.183892 
1 1 1   13   52    3 o   13.410   2.5107  153.330   61.395  104.379   70.971  298.887  122.381   10.153   3.2134   16.668   3.8586 -6.515285 5.021410 
1 1 1   13   52    4 o   32.125   1.1678  990.170   64.853  960.996   75.569  1071.71  126.340   31.344   1.2420   32.906   1.9779 -1.561426 2.335525 
1 1 1   13   52    5 o   32.188   1.1940  975.026   66.315  924.235   76.823  1123.54  131.363   30.720   1.2883   33.655   2.0107 -2.935131 2.388036 
1 1 1   13   52    6 o   16.962   2.0470  266.949   62.349  213.117   74.323  394.822  114.549   14.275   2.7821   19.648   3.0034 -5.372783 4.093948 
1 1 1   13   52    7 o   8.5700   2.5078   0.6571   64.937 -42.3497   77.379  103.081  119.413   6.2788   2.8642   10.861   4.1175 -4.582551 5.015699 
1 1 1   13   52    8 o   12.280   2.5596  165.541   64.666  182.236   80.096  134.286  109.591   13.042   3.1901   11.517   4.0038 1.524785 5.119298 
1 1 1   13   52    9 o   19.071   2.0677  390.741   68.678  415.067   84.481  343.336  117.932   20.354   2.1382   17.789   3.5397 2.565025 4.135411 
1 1 1   13   52   10 o   14.849   2.5617  235.774   67.475  225.696   79.252  262.328  128.642   14.556   2.9065   15.143   4.2192 -0.5863590 5.123441 
1 1 1   13   52   11 o   30.191   1.2389  941.440   68.514  1030.25   86.550  792.381  112.129   32.316   1.3797   28.065   2.0582 4.251261 2.477856 
1 1 1   13   52   12 o   26.074   1.5444  675.206   70.689  656.351   83.335  723.575  133.477   25.670   1.6724   26.478   2.5969 -0.8086090 3.088810 
1 1 1   13   52   13 o   12.388   2.3959  182.298   69.342  274.905   88.732   37.018  111.138   15.906   2.9834   8.8703   3.7498 7.035401 4.791835 
1 1 1   13   52   14 o   10.077   2.6676   87.259   69.644   43.644   87.132  164.417  115.892   8.2612   3.3916   11.893   4.1183 -3.631620 5.335115 
1 1 1   13   53    0 f   32.152   1.2393  1051.69   66.746  1087.58   77.723  950.875  130.270   33.357   1.2003   30.947   2.1685 2.410435 2.478540 
1 1 1   13   53    1 o   24.416   1.5420  652.978   63.444  743.933   76.728  456.348  112.814   27.543   1.4351   21.289   2.7299 6.254192 3.084080 
1 1 1   13   53    2 o   20.317   1.6299  397.195   60.967  368.347   74.070  457.798  107.357   19.285   1.9786   21.348   2.5907 -2.062622 3.259799 
1 1 1   13   53    3 o   39.864   1.0495  1546.42   72.874  1528.06   85.655  1594.55  138.672   39.543   1.1159   40.185   1.7777 -0.6414604 2.098928 
1 1 1   13   53    4 o   6.5631   3.1706 -249.8881   62.531 -276.4356   72.771 -174.9701  122.248  ?   ?    6.5631   3.1706      ?      ? 
1 1 1   13   53    5 o   34.508   1.1890  1176.41   72.459  1176.99   86.245  1175.03  133.601   34.647   1.2823   34.369   2.0025 0.2775841 2.377908 
1 1 1   13   53    6 f   11.260   1.9705  136.070   60.455  253.697   73.790 -104.0745  105.433   15.886   2.3929   6.6342   3.1313 9.251826 3.940944 
1 1 1   13   53    7 f   38.391   1.1067  1496.80   76.113  1575.96   92.910  1335.28  132.718   40.108   1.1933   36.675   1.8642 3.433514 2.213462 
1 1 1   13   53    8 o   31.917   1.2995  1025.55   73.153  1044.50   87.446  981.366  133.519   32.580   1.3827   31.254   2.2007 1.325670 2.599070 
1 1 1   13   53    9 o   35.693   1.1555  1257.21   75.688  1245.55   92.842  1280.32  130.690   35.568   1.3447   35.819   1.8796 -0.2513199 2.311070 
1 1 1   13   53   10 o   10.994   2.7115  127.445   68.997  139.491   82.181   98.672  127.009   11.308   3.4384   10.681   4.1935 0.6270361 5.422926 
1 1 1   13   53   11 o   10.426   2.6755  107.060   67.117  101.435   82.288  118.240  116.008   9.9483   3.4688   10.903   4.0744 -0.9547310 5.350964 
1 1 1   13   53   12 o   15.379   2.5314  262.123   69.621  252.993   83.301  283.277  126.801   15.287   2.9134   15.470   4.1406 -0.1831017 5.062875 
1 1 1   13   53   13 o   9.7560   2.4190   41.649   67.434 -70.0119   86.729  212.350  107.234   6.1185   2.8730   13.393   3.8925 -7.274967 4.837906 
1 1 1   13   54    0 o   32.821   1.1577  1011.02   67.221  944.968   78.942  1185.25  128.210   31.052   1.3096   34.590   1.9095 -3.537672 2.315417 
1 1 1   13   54    1 f   23.676   1.6423  585.034   64.169  609.728   74.466  513.805  126.471   24.891   1.5411   22.461   2.9006 2.430161 3.284623 
1 1 1   13   54    2 o   11.196   2.5574  134.454   61.830  153.390   71.907   80.740  121.109   12.007   3.0724   10.384   4.0892 1.623216 5.114807 
1 1 1   13   54    3 o   25.889   1.3775  609.832   64.304  525.867   75.904  823.307  121.029   23.071   1.6948   28.706   2.1719 -5.635071 2.754947 
1 1 1   13   54    4 o   51.311   0.9386  2604.55   86.488  2640.57  104.580  2526.61  153.842   51.985   1.0363   50.636   1.5651 1.349461 1.877130 
1 1 1   13   54    5 o   21.532   1.7326  467.859   61.609  468.504   70.736  465.831  125.390   21.776   1.6734   21.288   3.0343 0.4876060 3.465153 
1 1 1   13   54    6 o   22.562   1.6917  483.447   68.189  440.599   80.405  593.206  128.686   21.026   1.9700   24.099   2.7508 -3.073574 3.383479 
1 1 1   13   54    7 o   29.419   1.3934  827.432   71.876  781.056   84.091  953.194  138.478   28.118   1.5407   30.721   2.3221 -2.603174 2.786737 
1 1 1   13   54    8 o   11.947   2.7896  137.684   70.515  104.921   84.102  215.223  129.385   10.159   3.5088   13.736   4.3378 -3.577672 5.579237 
1 1 1   13   54    9 o   16.098   2.4939  275.625   71.342  255.161   85.732  321.707  128.650   15.416   2.9725   16.779   4.0054 -1.362249 4.987898 
1 1 1   13   54   10 o   15.403   2.4292  271.360   69.255  296.780   85.399  222.527  118.364   16.956   2.5946   13.849   4.1076 3.106530 4.858413 
1 1 1   13   54   11 o   22.268   1.7903  498.006   72.083  472.079   86.518  556.844  130.337   21.581   2.0652   22.954   2.9251 -1.373032 3.580647 
1 1 1   13   54   12 o   14.531   2.5937  244.870   71.592  244.992   90.181  244.661  117.735   14.782   3.2328   14.280   4.0568 0.5019379 5.187361 
1 1 1   13   55    0 o   9.2902   2.4727   72.765   61.592  101.316   73.989   8.3250  111.156   10.003   3.2908   8.5773   3.6915 1.425822 4.945385 
1 1 1   13   55    1 o   12.323   2.4807  140.590   59.758   96.755   71.619  241.042  108.417   9.8032   3.2383   14.844   3.7588 -5.040568 4.961347 
1 1 1   13   55    2 f   15.462   2.3699  244.548   63.538  228.754   74.782  285.544  120.485   14.814   2.7000   16.109   3.8957 -1.294892 4.739862 
1 1 1   13   55    3 o   22.088   1.7754  485.857   66.379  478.516   76.817  507.500  131.892   21.974   1.8009   22.202   3.0603 -0.2278481 3.550880 
1 1 1   13   55    4 o   31.141   1.3323  980.279   69.952  997.927   81.407  930.469  136.764   31.876   1.3156   30.405   2.3172 1.470224 2.664602 
1 1 1   13   55    5 o   17.121   2.3241  309.155   66.353  306.233   77.017  317.572  130.698   17.434   2.2757   16.807   4.0531 0.6266670 4.648245 
1 1 1   13   55    6 o   8.4729   2.5214   31.013   66.727   44.463   79.022  -2.4070  124.563   8.2240   3.2826   8.7218   3.8282 -0.4977989 5.042853 
1 1 1   13   55    7 f   37.237   1.1702  1377.97   74.756  1379.49   87.409  1373.82  144.256   37.473   1.2016   37.000   2.0084 0.4728889 2.340464 
1 1 1   13   55    8 o   16.828   2.3684  323.055   67.781  344.505   80.143  269.166  127.029   18.431   2.2401   15.224   4.1738 3.206369 4.736899 
1 1 1   13   55    9 o   18.579   2.3194  423.649   70.743  496.423   85.250  262.717  126.774   22.203   1.9780   14.956   4.1960 7.246427 4.638848 
1 1 1   13   55   10 o   23.012   1.6129  538.932   70.928  524.491   92.086  559.997  111.216   22.732   2.0868   23.291   2.4599 -0.5592346 3.225803 
1 1 1   13   55   11 o   11.172   2.7843  136.374   72.003  131.297   87.535  146.998  126.615   10.834   3.5802   11.509   4.2653 -0.6749945 5.568686 
1 1 1   13   56    0 o   31.056   1.3409  996.477   70.348  1041.05   82.574  878.496  134.344   32.565   1.3063   29.548   2.3422 3.017557 2.681869 
1 1 1   13   56    1 o   28.556   1.4039  789.573   67.888  765.865   78.242  861.782  136.550   27.891   1.4452   29.220   2.4074 -1.329798 2.807822 
1 1 1   13   56    2 o   11.165   2.6217  130.231   63.419  136.306   75.290  115.390  117.673   11.274   3.2573   11.055   4.1089 0.2190323 5.243380 
1 1 1   13   56    3 o   16.304   2.1828  263.000   62.454  227.888   74.488  346.112  114.602   14.727   2.7052   17.881   3.4264 -3.153857 4.365561 
1 1 1   13   56    4 o   13.542   2.5945  211.308   65.174  225.489   74.692  166.058  133.419   14.619   2.7325   12.465   4.4114 2.153847 5.189082 
1 1 1   13   56    5 f   8.3046   2.4860   25.626   67.561   54.070   79.388 -49.0781  128.657   8.4850   3.3201   8.1241   3.7010 0.3608532 4.971950 
1 1 1   13   56    6 o   44.439   1.0904  1982.93   84.616  2019.39  100.448  1893.84  157.023   45.357   1.1409   43.522   1.8586 1.834587 2.180825 
1 1 1   13   56    7 o   27.303   1.5025  706.368   73.457  638.258   86.674  880.018  138.395   25.283   1.7660   29.324   2.4313 -4.040411 3.004990 
1 1 1   13   56    8 o   13.031   2.3529  214.066   63.680  264.914   74.413   74.954  123.082   16.077   2.3844   9.9840   4.0571 6.092996 4.705887 
1 1 1   13   56    9 o   8.6931   2.5112  -7.5801   68.689 -79.9919   83.396  145.165  121.122   5.8623   2.7725   11.524   4.1878 -5.661577 5.022367 
1 1 1   13   56   10 o   7.0980   2.2783 -37.8084   70.245   15.230   85.831 -145.3935  122.244   7.5712   3.2508   6.6247   3.1928 0.9465880 4.556551 
1 1 1   13   57    0 o   9.6840   2.3385   98.389   51.271  117.407   57.647   26.399  112.159   10.501   2.7832   8.8673   3.7587 1.633506 4.677000 
1 1 1   13   57    1 o   11.159   2.1731  142.003   63.789  237.617   76.279 -80.3701  116.329   15.022   2.7158   7.2955   3.3932 7.726876 4.346156 
1 1 1   13   57    2 o   27.531   1.5292  757.244   69.852  751.377   80.181  775.718  142.276   27.574   1.4980   27.489   2.6663 0.8472443E-01 3.058306 
1 1 1   13   57    3 o   25.617   1.6443  681.462   70.607  699.013   82.226  632.192  137.770   26.554   1.5952   24.679   2.8758 1.875004 3.288567 
1 1 1   13   57    4 o   31.118   1.4269  989.268   76.167  1009.46   89.592  936.636  144.654   31.960   1.4441   30.275   2.4614 1.685179 2.853719 
1 1 1   13   57    5 o   10.831   2.5117  127.743   70.482  192.728   84.511 -20.7213  127.738   13.208   3.3043   8.4531   3.7838 4.755408 5.023486 
1 1 1   13   57    6 o   12.860   2.7295  165.552   67.310  132.888   78.576  255.587  130.456   11.009   3.3653   14.712   4.2984 -3.702632 5.459072 
1 1 1   13   57    7 o   8.8879   2.5023   60.111   61.323   59.909   73.758   60.563  110.360   8.4146   3.2249   9.3612   3.8271 -0.9466295 5.004688 
1 1 1   13   57    8 o   8.8165   2.6255   36.206   70.252   21.778   83.312   71.710  130.691   7.6620   3.2432   9.9710   4.1297 -2.308997 5.250973 
1 1 1   13   57    9 o   10.903   2.6219  130.046   64.350  120.074   80.251  148.006  107.699   10.408   3.4274   11.399   3.9687 -0.9911032 5.243870 
1 1 1   13   58    0 o   23.750   1.6606  592.621   54.199  601.765   59.070  543.935  136.302   24.739   1.2300   22.760   3.0850 1.979012 3.321179 
1 1 1   13   58    1 o   14.782   2.4937  221.855   64.289  194.761   74.875  297.875  125.417   13.436   2.9514   16.127   4.0203 -2.691006 4.987347 
1 1 1   13   58    2 o   24.212   1.5379  613.536   65.777  648.583   79.722  538.800  116.417   25.557   1.6070   22.868   2.6226 2.688887 3.075769 
1 1 1   13   58    3 o   14.571   2.4342  271.482   70.742  340.826   84.394  107.617  129.732   18.268   2.3799   10.874   4.2471 7.393525 4.868469 
1 1 1   13   58    4 o   10.793   2.7023  124.818   71.359  151.246   84.687   60.111  132.514   11.668   3.4776   9.9172   4.1371 1.750930 5.404556 
1 1 1   13   58    5 o   9.6554   2.6459   83.719   69.179  102.202   82.159   38.688  128.239   9.9318   3.4659   9.3790   3.9988 0.5527477 5.291789 
1 1 1   13   58    6 o   15.123   2.3330  313.117   70.124  410.485   83.602   82.043  128.791   20.075   2.1453   10.171   4.1436 9.903686 4.666013 
1 1 1   13   58    7 o   8.7689   2.5926   34.247   68.528   9.9898   81.936   90.711  125.008   7.3298   3.1619   10.208   4.1095 -2.878130 5.185186 
1 1 1   13   58    8 o   12.608   2.6308  173.483   65.163  147.064   78.651  231.313  116.365   11.378   3.3413   13.837   4.0644 -2.459272 5.261546 
1 1 1   13   59    0 o   23.111   1.6581  534.676   54.197  529.778   59.072  560.727  136.238   23.175   1.3131   23.048   3.0451 0.1274662 3.316178 
1 1 1   13   59    1 o   19.453   1.9366  390.004   51.176  386.474   55.787  408.743  128.552   19.754   1.4548   19.153   3.5895 0.6012421 3.873153 
1 1 1   13   59    2 o   19.899   2.1522  436.439   69.628  452.088   81.619  394.610  133.443   21.172   1.9859   18.626   3.8189 2.546103 4.304394 
1 1 1   13   59    3 o   10.468   2.7084   99.960   69.799   66.299   86.545  162.600  118.059   8.9194   3.4730   12.016   4.1569 -3.096799 5.416735 
1 1 1   13   59    4 o   9.5396   2.4896   76.915   71.405  150.747   86.697 -78.7827  125.899   11.565   3.5349   7.5144   3.5067 4.050415 4.979161 
1 1 1   13   59    5 o   10.084   2.5052  106.000   69.764  166.261   82.772 -41.8188  129.637   12.101   3.3889   8.0671   3.6904 4.033798 5.010401 
1 1 1   13   59    6 o   13.237   2.6864  210.436   71.455  223.910   87.100  182.703  124.962   14.084   3.2517   12.390   4.2772 1.693852 5.372884 
1 1 1   13   60    0 o   15.017   2.3878  259.409   52.670  265.021   57.299  228.826  133.760   16.242   1.8174   13.793   4.4164 2.448545 4.775680 
1 1 1   13   60    1 o   7.1803   2.2197   11.838   51.192   28.740   56.586 -64.3496  120.139   6.8634   2.7643   7.4971   3.4737 -0.6337562 4.439299 
1 1 1   13   60    2 f   9.0291   2.5404 -23.1662   70.944 -115.2302   85.149  185.805  128.286   5.4931   2.6518   12.565   4.3339 -7.072050 5.080870 
1 1 1   13   60    3 o   12.772   2.8742  188.451   75.766  182.283   89.966  203.495  140.511   12.583   3.5364   12.960   4.5320 -0.3776045 5.748476 
1 1 1   13   60    4 o   9.7972   2.5057   91.514   68.897  158.114   88.584 -10.4547  109.610   11.722   3.5711   7.8725   3.5158 3.849330 5.011322 
1 1 1   13   61    0 o   18.016   2.0373  345.300   52.586  342.682   58.131  357.089  123.379   18.500   1.6187   17.532   3.7393 0.9676323 4.074627 
1 1 1   13   61    1 o   18.045   2.3627  395.379   54.633  408.980   59.054  314.607  143.911   20.251   1.5022   15.838   4.4802 4.412667 4.725302 
1 1 1   13   61    2 o   14.227   2.5605  252.423   71.962  289.643   85.625  162.906  132.790   16.571   2.6619   11.884   4.3747 4.686870 5.120933 
1 1 1   14    0    0 o   87.365   1.0441  7405.45  176.826  7138.71  244.487  7698.02  256.053   85.717   1.4703   89.013   1.4828 -0.000000 0.000000 
1 1 1   14    0    1 o  118.955   1.3161 13747.29  303.702 13500.32  427.898 13998.00  431.118  117.877   1.8711  120.033   1.8512 -0.000000 0.000000 
1 1 1   14    0    2 o  135.737   1.6643 17906.73  438.222 18033.71  622.546 17782.01  616.971  136.214   2.3560  135.260   2.3514 -0.000000 0.000000 
1 1 1   14    0    3 o   26.615   1.1260  704.035   56.805  765.152   76.400  628.479   84.947   27.968   1.4155   25.262   1.7516 -0.000000 0.000000 
1 1 1   14    0    4 o   83.738   1.0067  6820.88  163.305  6987.48  226.781  6641.45  235.355   84.805   1.3784   82.671   1.4676 -0.000000 0.000000 
1 1 1   14    0    5 o   18.410   1.6897  346.028   57.215  352.089   77.747  338.867   84.502   18.651   2.2319   18.169   2.5376 -0.000000 0.000000 
1 1 1   14    0    6 o  208.968   1.7172 42463.52  684.357 42612.25  889.928 42248.27  1070.57  209.438   2.1895  208.499   2.6461 -0.000000 0.000000 
1 1 1   14    0    7 o   55.410   0.8968  2985.14   96.346  3024.81  136.685  2945.96  135.828   55.777   1.2639   55.043   1.2728 -0.000000 0.000000 
1 1 1   14    0    8 o   24.899   1.2836  610.714   60.600  503.674   83.404  730.419   88.201   22.526   1.9405   27.272   1.6807 -0.000000 0.000000 
1 1 1   14    0    9 o  135.604   1.4043 17878.60  367.286 17922.71  493.588 17823.88  549.786  135.803   1.8732  135.406   2.0928 -0.000000 0.000000 
1 1 1   14    0   10 o  136.346   1.4181 18055.91  372.446 17947.30  496.982 18195.07  562.522  135.891   1.8848  136.802   2.1194 -0.000000 0.000000 
1 1 1   14    0   11 o  137.038   1.6236 18240.30  428.175 18068.05  569.329 18464.58  649.653  136.311   2.1528  137.764   2.4310 -0.000000 0.000000 
1 1 1   14    0   12 o  125.720   1.4252 15365.79  347.433 15278.56  483.065 15459.27  500.066  125.353   1.9863  126.086   2.0443 -0.000000 0.000000 
1 1 1   14    0   13 f   36.761   1.1574  1375.01   77.182  1508.76   97.073  1145.13  127.263   39.355   1.2737   34.166   1.9330 -0.000000 0.000000 
1 1 1   14    0   14 o   57.730   1.0194  3274.00  112.229  3440.58  148.374  3051.26  171.575   59.481   1.2864   55.979   1.5818 -0.000000 0.000000 
1 1 1   14    0   15 o   40.252   1.1596  1626.57   85.817  1746.67  108.470  1425.60  140.314   42.347   1.3225   38.158   1.9051 -0.000000 0.000000 
1 1 1   14    0   16 o  200.138   2.4545 39107.66  952.925 39345.30  1349.95 38871.63  1345.34  200.746   3.4665  199.530   3.4758 -0.000000 0.000000 
1 1 1   14    0   17 o   81.267   1.1759  6413.24  184.682  6277.61  249.776  6576.81  274.303   80.327   1.6033   82.207   1.7206 -0.000000 0.000000 
1 1 1   14    0   18 o   23.001   2.1198  544.800   86.547  555.683  110.216  527.297  139.777   23.505   2.4786   22.497   3.4395 -0.000000 0.000000 
1 1 1   14    0   19 o   32.996   1.5277  1139.24   88.377  1271.53  109.560  892.798  149.534   36.065   1.5718   29.928   2.6201 -0.000000 0.000000 
1 1 1   14    0   20 o   85.305   1.2360  7084.07  204.182  6995.17  280.622  7184.08  297.643   84.743   1.7075   85.866   1.7874 -0.000000 0.000000 
1 1 1   14    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   22 o   12.544   3.8823  212.152   95.214  175.080  117.610  282.658  162.196   10.966   5.0412   14.123   5.9055 -0.000000 0.000000 
1 1 1   14    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   24 o   35.383   1.5388  1247.87  101.489  1262.20  129.127  1224.72  164.146   35.757   1.8720   35.009   2.4427 -0.000000 0.000000 
1 1 1   14    0   25 o   19.082   3.6501  401.593  120.869  401.593  120.869   0.0000   0.0000   19.082   3.6501   19.082   3.6501 -0.000000 0.000000 
1 1 1   14    0   26 o   38.717   1.4479  1475.07  105.419  1422.08  133.896  1561.48  170.984   37.899   1.8298   39.535   2.2445 -0.000000 0.000000 
1 1 1   14    0   27 o   11.982   4.0106  224.563  102.554  203.488  128.005  262.338  171.371   11.377   5.2578   12.588   6.0577 -0.000000 0.000000 
1 1 1   14    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    1    0 o   94.861   0.7930  8735.52  146.016  8728.01  206.283  8743.07  206.713   94.820   1.1207   94.901   1.1221 -0.8177948E-01 1.585913 
1 1 1   14    1    1 o   45.993   0.5929  2052.60   52.921  2018.70   73.884  2088.32   75.836   45.603   0.8346   46.383   0.8423 -0.7796707 1.185760 
1 1 1   14    1    2 f  171.994   1.1834 28724.06  395.086 28433.69  555.835 29020.56  561.682  171.115   1.6734  172.872   1.6738 -1.756851 2.366798 
1 1 1   14    1    3 o  147.334   1.0224 21085.29  291.656 21181.40  399.018 20975.02  427.369  147.697   1.3917  146.971   1.4980 0.7259827 2.044713 
1 1 1   14    1    4 o   30.512   0.7069  904.381   41.731  896.199   61.396  911.406   56.895   30.383   1.0410   30.640   0.9566 -0.2572880 1.413747 
1 1 1   14    1    5 o  131.663   0.9391 16832.40  240.022 16831.37  339.534 16833.42  339.352  131.659   1.3285  131.667   1.3277 -0.8026123E-02 1.878248 
1 1 1   14    1    6 o   86.836   0.7324  7319.66  123.443  7252.01  173.308  7389.32  175.868   86.429   1.0330   87.243   1.0385 -0.8142319 1.464749 
1 1 1   14    1    7 o   21.851   0.9859  463.798   41.743  500.252   59.507  428.480   58.572   22.697   1.3506   21.005   1.4365 1.691862 1.971705 
1 1 1   14    1    8 o   48.744   0.6243  2306.69   59.071  2295.18   83.628  2318.16   83.452   48.622   0.8860   48.865   0.8798 -0.2428322 1.248626 
1 1 1   14    1    9 o  124.135   0.9644 14967.33  232.373 14822.00  328.196 15113.42  329.056  123.530   1.3687  124.739   1.3589 -1.209129 1.928721 
1 1 1   14    1   10 o   46.961   0.6577  2135.25   59.807  2060.62   81.248  2223.50   88.358   46.068   0.9085   47.854   0.9512 -1.785290 1.315373 
1 1 1   14    1   11 o   54.689   0.6832  2902.85   72.502  2860.11  100.805  2948.65  104.353   54.272   0.9568   55.105   0.9755 -0.8331566 1.366465 
1 1 1   14    1   12 o   56.213   0.6807  3067.47   74.266  3023.30  103.754  3113.88  106.352   55.798   0.9579   56.627   0.9675 -0.8294601 1.361484 
1 1 1   14    1   13 o   41.625   0.7021  1682.88   56.704  1688.78   78.996  1676.60   81.444   41.701   0.9759   41.549   1.0098 0.1514626 1.404288 
1 1 1   14    1   14 f   90.941   0.8601  8034.88  151.833  7987.73  214.942  8081.85  214.507   90.674   1.2212   91.208   1.2116 -0.5333481 1.720206 
1 1 1   14    1   15 o  122.082   1.0949 14490.68  259.481 14463.17  366.601 14518.30  367.323  121.966   1.5484  122.198   1.5485 -0.2322235 2.189880 
1 1 1   14    1   16 o  141.692   1.2513 19532.16  344.119 19840.82  491.787 19236.04  481.685  142.787   1.7743  140.596   1.7649 2.191101 2.502600 
1 1 1   14    1   17 o   35.074   1.2752  1271.13   74.737  1050.61  143.066  1353.89   87.646   32.824   2.2453   37.323   1.2097 -4.499069 2.550459 
1 1 1   14    1   18 o   31.609   1.0103  971.758   61.956  928.382   86.908  1016.58   88.348   30.891   1.4493   32.327   1.4079 -1.436281 2.020531 
1 1 1   14    1   19 o  102.810   0.9693 10282.61  193.439 10378.65  274.806 10188.29  272.339  103.286   1.3706  102.334   1.3710 0.9516602 1.938592 
1 1 1   14    1   20 f   7.9478   2.3535   11.347   61.143  -1.6030   89.143   22.852   84.022   7.7731   3.3245   8.1225   3.3321 -0.3493876 4.706992 
1 1 1   14    1   21 o   94.540   0.9308  8707.83  170.813  8742.27  241.731  8673.49  241.401   94.727   1.3146   94.353   1.3180 0.3743134 1.861538 
1 1 1   14    1   22 o   67.073   0.8301  4382.70  108.064  4284.75  151.530  4484.07  154.156   66.310   1.1772   67.836   1.1707 -1.526291 1.660205 
1 1 1   14    1   23 o   46.373   0.8844  2097.33   79.533  1966.14  110.882  2236.34  114.142   44.876   1.2729   47.870   1.2283 -2.993912 1.768896 
1 1 1   14    1   24 o   50.244   0.9591  2449.37   91.948  2601.07  145.809  2349.22  118.474   51.486   1.4589   49.002   1.2455 2.483948 1.918248 
1 1 1   14    1   25 o   15.233   2.2605  247.217   64.710  251.636   91.795  242.852   91.235   15.378   3.1801   15.088   3.2134 0.2892771 4.520975 
1 1 1   14    1   26 o   23.879   1.6673  566.366   75.706  523.998   96.369  634.661  122.352   22.811   2.1764   24.948   2.5265 -2.136946 3.334612 
1 1 1   14    1   27 o   25.088   1.6052  638.615   77.997  602.091  106.061  681.632  115.103   24.322   2.2464   25.854   2.2935 -1.531385 3.210356 
1 1 1   14    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    2    0 o  135.726   1.0029 17884.20  264.213 18104.17  375.220 17667.87  372.108  136.554   1.4155  134.898   1.4210 1.655640 2.005730 
1 1 1   14    2    1 o  210.967   1.3355 43215.36  546.808 42845.14  764.148 43603.88  782.796  210.042   1.8742  211.892   1.9031 -1.849747 2.671022 
1 1 1   14    2    2 f  154.111   1.1059 23061.73  330.829 23076.38  470.392 23047.39  465.373  154.159   1.5719  154.062   1.5561 0.9614563E-01 2.211868 
1 1 1   14    2    3 o  224.720   1.2936 49079.94  561.317 49362.81  757.126 48734.71  836.430  225.448   1.7300  223.992   1.9237 1.455521 2.587192 
1 1 1   14    2    4 o  149.579   1.0066 21725.30  292.260 21582.92  412.134 21869.34  414.513  149.085   1.4241  150.072   1.4229 -0.9860077 2.013128 
1 1 1   14    2    5 o   51.001   0.6054  2525.14   59.924  2533.76   84.193  2516.30   85.309   51.089   0.8489   50.913   0.8632 0.1764832 1.210703 
1 1 1   14    2    6 o  263.121   1.5095 67229.82  770.672 68496.05  1110.21 66052.22  1070.65  265.508   2.1541  260.733   2.1154 4.774384 3.019090 
1 1 1   14    2    7 o   90.592   0.7991  7968.25  140.519  7987.00  198.783  7949.52  198.666   90.699   1.1290   90.485   1.1310 0.2131424 1.598130 
1 1 1   14    2    8 o   46.016   0.6256  2055.66   55.883  2074.69   79.338  2036.91   78.726   46.228   0.8841   45.805   0.8854 0.4228401 1.251243 
1 1 1   14    2    9 o  134.172   0.9893 17483.68  257.329 17539.57  373.873 17433.38  354.718  134.373   1.4333  133.971   1.3640 0.4021454 1.978604 
1 1 1   14    2   10 o  251.945   1.4148 61777.77  688.540 62356.57  931.167 61079.52  1022.75  253.271   1.8940  250.619   2.1023 2.652115 2.829620 
1 1 1   14    2   11 o  148.601   1.1210 21459.51  323.357 21420.63  459.155 21497.78  455.458  148.467   1.5932  148.736   1.5775 -0.2689362 2.242035 
1 1 1   14    2   12 o   54.514   0.6771  2885.14   71.643  2956.28  102.133  2816.23  100.522   55.176   0.9536   53.853   0.9616 1.323059 1.354225 
1 1 1   14    2   13 o   63.761   0.6938  3948.12   85.870  3939.40  120.950  3957.00  121.932   63.690   0.9783   63.832   0.9840 -0.1418877 1.387589 
1 1 1   14    2   14 o   97.234   0.9036  9185.57  170.544  9242.46  242.677  9130.05  239.723   97.531   1.2818   96.937   1.2740 0.5942535 1.807196 
1 1 1   14    2   15 o  124.167   1.1108 14990.42  267.739 15069.37  379.866 14912.48  377.428  124.492   1.5719  123.842   1.5700 0.6495209 2.221656 
1 1 1   14    2   16 o  125.778   1.1271 15385.91  275.184 15546.23  391.776 15229.79  386.613  126.424   1.5964  125.131   1.5916 1.292473 2.254293 
1 1 1   14    2   17 o   72.971   0.7941  5168.40  112.364  5296.18  163.391  5053.73  154.774   73.825   1.1401   72.118   1.1056 1.706963 1.588150 
1 1 1   14    2   18 o   43.182   0.8178  1812.48   68.549  1801.07   96.554  1824.08   97.336   43.045   1.1555   43.319   1.1575 -0.2740631 1.635587 
1 1 1   14    2   19 o   33.994   1.0022  1124.21   66.114  1088.24   92.794  1161.30   94.220   33.442   1.4295   34.547   1.4050 -1.105774 2.004307 
1 1 1   14    2   20 o   29.232   1.1088  833.646   62.849  804.538   89.930  861.435   87.870   28.730   1.6125   29.735   1.5223 -1.005423 2.217600 
1 1 1   14    2   21 o   18.203   1.8537  329.246   64.887  369.309   90.123  286.125   93.498   19.385   2.3950   17.020   2.8299 2.364130 3.707342 
1 1 1   14    2   22 o   35.084   0.9867  1200.36   67.161  1146.47   93.541  1257.70   96.488   34.271   1.4061   35.898   1.3846 -1.626987 1.973403 
1 1 1   14    2   23 o   41.712   1.0746  1706.68   85.110  1684.53  134.712  1721.39  109.799   41.449   1.6743   41.975   1.3476 -0.5258636 2.149216 
1 1 1   14    2   24 o   40.663   0.9358  1622.50   73.552  1807.00  104.587  1441.95  103.460   42.974   1.2537   38.353   1.3897 4.620720 1.871636 
1 1 1   14    2   25 o   37.854   0.9420  1402.16   69.073  1346.44   94.075  1467.32  101.741   37.048   1.3081   38.660   1.3557 -1.612114 1.883923 
1 1 1   14    2   26 o   15.677   2.9149  258.129   79.928  236.407   91.444  328.447  164.525   14.741   3.2802   16.613   4.8195 -1.871694 5.829876 
1 1 1   14    2   27 o   24.395   1.8624  607.866   84.125  588.251  103.850  645.304  143.474   24.050   2.2245   24.740   2.9875 -0.6896210 3.724702 
1 1 1   14    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    3    0 o  283.531   1.5390 78082.01  847.023 78358.74  1200.63 77807.80  1195.13  284.031   2.1776  283.031   2.1753 1.000031 3.077958 
1 1 1   14    3    1 o   87.409   0.7563  7416.92  128.321  7390.20  180.770  7444.06  182.186   87.251   1.0673   87.568   1.0718 -0.3173370 1.512567 
1 1 1   14    3    2 o  277.906   1.4410 74934.60  768.830 74459.74  1013.28 75578.95  1180.32  276.885   1.8852  278.927   2.1799 -2.042023 2.882050 
1 1 1   14    3    3 o  193.361   1.2164 36214.50  453.052 35557.38  601.878 37073.61  688.184  191.349   1.6204  195.372   1.8146 -4.023270 2.432766 
1 1 1   14    3    4 o   52.723   0.6104  2698.00   62.460  2777.04   88.900  2620.94   87.774   53.486   0.8562   51.960   0.8702 1.525059 1.220836 
1 1 1   14    3    5 o  109.032   0.8589 11541.94  181.639 11531.52  251.805 11553.25  262.268  108.981   1.1903  109.082   1.2386 -0.1011200 1.717802 
1 1 1   14    3    6 o  120.646   0.8843 14131.78  207.086 14261.10  294.060 14004.55  291.682  121.193   1.2499  120.098   1.2511 1.095116 1.768540 
1 1 1   14    3    7 o  168.744   1.0856 27654.78  355.602 27625.04  502.661 27684.57  503.133  168.653   1.5354  168.835   1.5352 -0.1816406 2.171201 
1 1 1   14    3    8 o  147.757   1.0089 21203.40  289.377 21009.15  407.615 21400.78  410.885  147.074   1.4277  148.439   1.4260 -1.364609 2.017870 
1 1 1   14    3    9 o   23.863   0.9733  552.356   45.055  526.599   62.467  580.282   65.045   23.284   1.3821   24.442   1.3709 -1.158175 1.946680 
1 1 1   14    3   10 o  108.259   0.8913 11387.43  187.088 11287.72  270.397 11479.00  259.126  107.802   1.2921  108.715   1.2279 -0.9133835 1.782501 
1 1 1   14    3   11 o   53.109   0.6674  2739.95   68.774  2809.51   96.799  2669.05   97.729   53.791   0.9270   52.428   0.9603 1.362713 1.334742 
1 1 1   14    3   12 o   44.490   0.6994  1921.80   60.354  1814.23   84.601  2033.27   86.127   43.223   1.0083   45.758   0.9696 -2.535820 1.398891 
1 1 1   14    3   13 o   83.046   0.7692  6696.81  123.950  6633.95  172.612  6763.74  178.101   82.645   1.0759   83.448   1.0995 -0.8032303 1.538346 
1 1 1   14    3   14 o   31.391   0.8720  956.705   53.098  907.529   74.149  1008.47   76.072   30.563   1.2498   32.218   1.2163 -1.655699 1.744002 
1 1 1   14    3   15 o   50.472   0.7470  2474.15   73.166  2555.34  104.139  2395.01  102.817   51.290   1.0460   49.654   1.0667 1.635910 1.493954 
1 1 1   14    3   16 o  133.479   1.1886 17329.44  307.921 17610.08  440.138 17060.41  430.938  134.536   1.6853  132.422   1.6765 2.114624 2.377146 
1 1 1   14    3   17 o   72.174   0.7848  5063.58  109.901  4976.14  156.835  5147.94  154.050   71.560   1.1290   72.788   1.0903 -1.227760 1.569527 
1 1 1   14    3   18 o   81.221   0.8268  6412.69  130.355  6360.50  184.140  6465.12  184.562   80.890   1.1727   81.553   1.1658 -0.6632919 1.653605 
1 1 1   14    3   19 o   60.799   0.7896  3588.95   93.110  3396.46  129.329  3796.09  134.159   59.108   1.1272   62.491   1.1060 -3.382561 1.579129 
1 1 1   14    3   20 o   41.771   0.8533  1701.86   69.008  1818.51   96.703  1580.83   98.505   43.238   1.1522   40.304   1.2590 2.933098 1.706654 
1 1 1   14    3   21 o   71.748   1.0421  5101.70  135.265  4791.02  235.485  5254.69  165.246   70.026   1.7324   73.470   1.1587 -3.444283 2.084121 
1 1 1   14    3   22 o   46.770   0.9425  2105.96   84.070  2280.37  133.983  1992.71  107.970   48.328   1.4282   45.211   1.2302 3.116405 1.885003 
1 1 1   14    3   23 f   31.113   1.1259  955.703   67.457  1047.17   93.014  854.217   97.977   32.718   1.4645   29.508   1.7105 3.209644 2.251794 
1 1 1   14    3   24 o   25.825   1.2984  658.770   65.084  650.024   92.227  667.448   91.861   25.651   1.8522   26.000   1.8201 -0.3493671 2.596798 
1 1 1   14    3   25 o   35.621   1.4127  1227.44   85.445  1191.39   98.622  1335.96  171.106   34.804   1.4598   36.438   2.4191 -1.633884 2.825387 
1 1 1   14    3   26 o   9.6845   2.5945   80.378   66.337   66.771   86.919   99.360  102.663   9.0638   3.4940   10.305   3.8364 -1.241323 5.189026 
1 1 1   14    3   27 o   23.270   1.5729  558.084   69.864  607.982   93.786  495.869  104.722   24.571   1.9663   21.969   2.4556 2.602104 3.145847 
1 1 1   14    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4    0 o   67.566   0.6461  4429.80   84.707  4594.41  121.002  4271.60  118.621   68.797   0.9061   66.336   0.9212 2.461082 1.292106 
1 1 1   14    4    1 f  231.002   1.3193 51824.78  587.322 51833.73  784.964 51813.40  885.245  231.033   1.7503  230.971   1.9744 0.6185913E-01 2.638536 
1 1 1   14    4    2 o   66.709   0.6495  4321.11   84.079  4452.25  118.798  4189.49  119.015   67.723   0.9037   65.694   0.9333 2.029121 1.299079 
1 1 1   14    4    3 o  173.625   1.1307 29272.35  379.500 29243.46  513.658 29307.08  563.137  173.535   1.5248  173.715   1.6700 -0.1799469 2.261403 
1 1 1   14    4    4 o  219.490   1.2946 46793.34  548.408 46774.36  737.004 46816.86  820.894  219.449   1.7301  219.530   1.9263 -0.8116150E-01 2.589197 
1 1 1   14    4    5 o  291.461   1.3837 82514.97  782.832 81589.55  1098.74 83469.04  1115.63  289.802   1.9531  293.120   1.9607 -3.317902 2.767495 
1 1 1   14    4    6 o  206.773   1.1885 41524.86  477.019 41448.51  671.393 41602.69  677.868  206.581   1.6743  206.964   1.6873 -0.3827972 2.376971 
1 1 1   14    4    7 o   52.544   0.6156  2680.32   62.786  2640.41   88.701  2720.40   88.884   52.152   0.8762   52.936   0.8650 -0.7842407 1.231206 
1 1 1   14    4    8 o   44.340   0.6364  1908.61   54.763  1965.35   77.848  1853.03   77.052   44.993   0.8913   43.688   0.9086 1.304886 1.272782 
1 1 1   14    4    9 o   55.644   0.6333  3005.03   68.389  2923.38   95.726  3090.15   97.738   54.872   0.8987   56.416   0.8925 -1.543583 1.266552 
1 1 1   14    4   10 o  118.996   0.9367 13757.30  216.183 13830.17  300.025 13678.63  311.771  119.326   1.2953  118.667   1.3534 0.6595306 1.873370 
1 1 1   14    4   11 o  138.751   1.0638 18706.53  286.519 18779.13  405.232 18633.96  405.166  139.021   1.5016  138.482   1.5072 0.5389862 2.127568 
1 1 1   14    4   12 o  102.567   0.8444 10218.87  168.100  9968.19  237.156 10471.99  238.306  101.302   1.2060  103.832   1.1823 -2.529991 1.688893 
1 1 1   14    4   13 o   64.888   0.8894  4164.24  104.752  4308.33  128.478  3878.50  180.921   66.605   0.9937   63.172   1.4754 3.432697 1.778806 
1 1 1   14    4   14 o   55.054   0.7146  2942.52   76.349  2860.48  106.834  3028.15  109.151   54.269   1.0141   55.838   1.0070 -1.568100 1.429166 
1 1 1   14    4   15 o  146.326   1.2866 20830.93  365.449 20963.80  519.618 20700.89  514.073  146.787   1.8236  145.865   1.8155 0.9217834 2.573274 
1 1 1   14    4   16 o   97.230   0.9234  9187.74  174.270  9304.58  248.404  9074.50  244.551   97.839   1.3079   96.622   1.3039 1.216782 1.846810 
1 1 1   14    4   17 o   50.339   0.7659  2462.54   74.807  2562.42  106.145  2363.98  105.445   51.354   1.0648   49.324   1.1013 2.030365 1.531854 
1 1 1   14    4   18 o   29.527   1.0411  848.451   59.655  868.054   84.154  828.651   84.577   29.871   1.4513   29.183   1.4930 0.6878071 2.082150 
1 1 1   14    4   19 o   80.633   0.8439  6321.72  132.094  6355.54  187.401  6288.33  186.223   80.847   1.1941   80.419   1.1929 0.4284668 1.687879 
1 1 1   14    4   20 o   31.138   1.0781  945.585   64.977  956.714   88.883  932.811   95.227   31.340   1.4610   30.936   1.5857 0.4038620 2.156212 
1 1 1   14    4   21 o   17.757   1.9490  304.977   66.125  346.251  105.354  278.149   84.940   18.713   2.9003   16.802   2.6043 1.910892 3.897985 
1 1 1   14    4   22 o   30.317   1.1437  900.759   67.104  925.698   92.167  872.627   97.890   30.775   1.5428   29.859   1.6889 0.9157944 2.287464 
1 1 1   14    4   23 o   26.802   1.1509  706.539   59.550  731.466   80.991  677.205   87.860   27.334   1.5264   26.270   1.7229 1.064320 2.301822 
1 1 1   14    4   24 o   40.661   1.2207  1651.07   84.380  1675.01   98.468  1584.90  163.706   41.379   1.2259   39.944   2.1113 1.435398 2.441391 
1 1 1   14    4   25 o   42.830   0.9415  1799.93   78.204  1791.80  108.136  1808.84  113.235   42.738   1.3034   42.921   1.3591 -0.1829605 1.883076 
1 1 1   14    4   26 o   32.137   1.1072  1021.33   69.023  1074.56   99.043  971.075   96.242   32.957   1.5482   31.316   1.5832 1.640631 2.214325 
1 1 1   14    4   27 o   16.974   2.2587  324.854   71.042  431.323   98.103  207.458  103.014   20.480   2.4676   13.468   3.7838 7.012738 4.517377 
1 1 1   14    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    5    0 o  106.523   0.8509 11014.57  175.934 10913.69  246.712 11118.96  250.961  106.027   1.1987  107.019   1.2080 -0.9922867 1.701823 
1 1 1   14    5    1 o  136.993   0.9919 18229.86  263.251 18361.16  361.811 18082.17  383.742  137.519   1.3554  136.467   1.4486 1.051926 1.983791 
1 1 1   14    5    2 o  124.205   0.9353 14991.04  225.134 15221.11  310.916 14737.45  326.425  125.209   1.2792  123.201   1.3649 2.008141 1.870659 
1 1 1   14    5    3 o  261.597   1.4028 66437.13  705.718 66180.23  935.499 66776.40  1075.07  261.026   1.8463  262.168   2.1125 -1.142487 2.805572 
1 1 1   14    5    4 o  181.428   1.1789 31962.20  412.936 31903.34  555.502 32034.89  617.340  181.248   1.5789  181.609   1.7511 -0.3609314 2.357833 
1 1 1   14    5    5 o  189.830   1.2148 35035.31  445.822 35409.50  605.686 34592.90  658.607  190.943   1.6341  188.716   1.7978 2.227188 2.429513 
1 1 1   14    5    6 o   56.485   0.6308  3097.57   69.156  3117.02   97.353  3077.76   98.258   56.665   0.8851   56.306   0.8990 0.3581696 1.261533 
1 1 1   14    5    7 o  121.881   0.9142 14425.16  216.126 14419.58  312.014 14430.30  299.657  121.857   1.3190  121.905   1.2663 -0.4762268E-01 1.828491 
1 1 1   14    5    8 o  124.152   0.9260 14965.91  223.132 14718.32  312.759 15222.57  318.431  123.106   1.3088  125.197   1.3103 -2.090965 1.851932 
1 1 1   14    5    9 o   82.305   0.7457  6577.65  119.133  6604.88  169.282  6550.94  167.688   82.474   1.0574   82.136   1.0517 0.3372879 1.491368 
1 1 1   14    5   10 o  133.826   0.9987 17404.16  259.159 17533.69  358.984 17263.19  374.521  134.350   1.3765  133.303   1.4473 1.046295 1.997377 
1 1 1   14    5   11 o  141.381   1.0540 19423.15  289.058 19384.94  416.700 19458.58  401.314  141.243   1.5198  141.518   1.4609 -0.2741394 2.108065 
1 1 1   14    5   12 o   98.553   0.8360  9436.43  159.808  9488.71  222.082  9380.28  230.138   98.838   1.1575   98.268   1.2065 0.5695343 1.671930 
1 1 1   14    5   13 o  130.651   1.0823 16590.67  274.473 16523.02  385.995 16659.87  390.370  130.382   1.5251  130.919   1.5361 -0.5374756 2.164579 
1 1 1   14    5   14 f   30.192   0.9368  886.367   54.821  947.674   77.825  825.984   77.236   31.230   1.2837   29.154   1.3648 2.076052 1.873642 
1 1 1   14    5   15 o   91.425   0.8783  8120.58  155.857  7990.75  218.848  8254.19  222.015   90.683   1.2432   92.166   1.2409 -1.482872 1.756557 
1 1 1   14    5   16 o   71.985   0.7904  5034.64  110.449  5069.32  157.104  5000.75  155.307   72.230   1.1205   71.740   1.1152 0.4898148 1.580887 
1 1 1   14    5   17 o  151.496   1.3327 22349.90  391.904 22226.01  552.190 22475.64  556.305  151.074   1.8829  151.919   1.8864 -0.8450928 2.665331 
1 1 1   14    5   18 o   23.744   1.2450  548.738   57.235  554.110   84.226  544.130   78.015   23.850   1.8193   23.639   1.7001 0.2102470 2.490006 
1 1 1   14    5   19 o   18.207   1.8091  337.907   59.439  225.130   83.767  452.276   84.356   14.884   3.0028   21.530   2.0184 -6.646283 3.618114 
1 1 1   14    5   20 o   69.970   0.8165  4758.52  110.850  4939.46  159.467  4589.34  154.198   71.257   1.1529   68.684   1.1565 2.572357 1.632994 
1 1 1   14    5   21 o   10.247   2.1586   84.775   54.898 -11.3027   76.110  188.974   79.262   6.9464   3.0219   13.548   3.0831 -6.601994 4.317108 
1 1 1   14    5   22 o   47.647   0.8534  2222.42   78.591  2403.47  109.540  2030.36  112.822   49.667   1.1362   45.627   1.2738 4.040039 1.706888 
1 1 1   14    5   23 o   54.242   1.0610  2904.41  100.078  2936.03  118.156  2824.14  188.260   54.872   1.1093   53.611   1.8090 1.261509 2.122017 
1 1 1   14    5   24 o   18.016   1.8026  330.515   62.003  362.601   83.457  290.988   92.629   19.072   2.2543   16.961   2.8135 2.111097 3.605163 
1 1 1   14    5   25 o   48.751   0.8490  2327.61   80.312  2335.02  115.190  2320.60  112.033   48.821   1.2155   48.681   1.1856 0.1400490 1.697907 
1 1 1   14    5   26 o   9.0349   2.3233   22.514   65.262 -103.8159   90.004  162.574   94.769   5.9175   2.8218   12.152   3.6917 -6.234860 4.646677 
1 1 1   14    5   27 o   13.829   2.4874  236.982   77.699  330.699   95.979   58.773  132.352   17.794   2.7786   9.8648   4.1265 7.929282 4.974847 
1 1 1   14    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    6    0 o  170.562   1.1129 28230.03  367.014 28051.44  496.657 28444.88  544.741  169.972   1.5053  171.153   1.6396 -1.181656 2.225795 
1 1 1   14    6    1 o   76.828   0.6805  5728.16  101.385  5691.02  140.152  5768.93  146.841   76.567   0.9430   77.089   0.9813 -0.5217819 1.360908 
1 1 1   14    6    2 o  157.069   1.0638 23927.60  322.885 23664.46  435.252 24249.64  481.500  156.113   1.4363  158.025   1.5697 -1.911896 2.127608 
1 1 1   14    6    3 o  206.580   1.2569 41463.96  500.823 41575.93  671.979 41324.05  751.158  206.902   1.6731  206.258   1.8761 0.6445160 2.513769 
1 1 1   14    6    4 o   52.824   0.6124  2709.12   62.787  2748.71   88.648  2669.26   88.940   53.212   0.8582   52.437   0.8738 0.7747536 1.224741 
1 1 1   14    6    5 o  310.172   1.5308 93516.33  911.982 93726.88  1206.17 93235.31  1393.49  310.605   2.0005  309.740   2.3176 0.8657227 3.061580 
1 1 1   14    6    6 o  187.569   1.1448 34170.29  416.797 34282.50  587.529 34056.62  591.370  187.880   1.6110  187.259   1.6269 0.6211548 2.289514 
1 1 1   14    6    7 o  164.322   1.1649 26220.47  371.531 26714.80  531.074 25746.62  519.950  165.839   1.6497  162.806   1.6452 3.032486 2.329865 
1 1 1   14    6    8 o   43.340   0.6248  1821.46   52.535  1742.42   72.919  1906.77   75.754   42.364   0.8867   44.317   0.8806 -1.953011 1.249667 
1 1 1   14    6    9 o   83.443   0.7424  6761.43  120.238  6788.11  168.848  6733.98  171.261   83.610   1.0403   83.275   1.0594 0.3347244 1.484827 
1 1 1   14    6   10 o  165.641   1.2462 26621.54  399.238 27183.96  593.268 26156.04  539.736  167.229   1.8276  164.054   1.6948 3.174896 2.492490 
1 1 1   14    6   11 o  183.514   1.1486 32727.50  408.430 32757.17  595.947 32701.22  560.863  183.586   1.6723  183.443   1.5750 0.1427155 2.297215 
1 1 1   14    6   12 o  162.098   1.1509 25561.84  361.561 25151.07  524.067 25934.97  499.470  160.846   1.6785  163.349   1.5752 -2.503052 2.301820 
1 1 1   14    6   13 o  132.312   1.0420 17014.80  267.627 17055.44  376.929 16973.47  380.053  132.473   1.4658  132.152   1.4815 0.3206177 2.084076 
1 1 1   14    6   14 o   53.389   0.7064  2768.43   73.202  2803.24  103.669  2733.82  103.378   53.724   0.9941   53.054   1.0038 0.6697845 1.412710 
1 1 1   14    6   15 o  104.507   0.9651 10613.18  195.762 10730.39  279.690 10500.62  274.092  105.072   1.3713  103.942   1.3584 1.129677 1.930225 
1 1 1   14    6   16 o  123.036   1.1086 14724.32  264.759 14623.69  372.938 14826.58  375.933  122.613   1.5669  123.460   1.5686 -0.8473282 2.217140 
1 1 1   14    6   17 o   41.015   0.8361  1638.70   66.351  1690.64   91.160  1580.19   96.759   41.710   1.1259   40.320   1.2363 1.390522 1.672113 
1 1 1   14    6   18 o   71.062   0.8005  4908.13  110.375  4911.52  158.394  4904.92  153.891   71.084   1.1479   71.039   1.1160 0.4494476E-01 1.600952 
1 1 1   14    6   19 o   45.795   0.7976  2040.13   70.861  2098.16   99.527  1980.46  100.913   46.458   1.1036   45.133   1.1518 1.325031 1.595213 
1 1 1   14    6   20 o   64.733   0.8005  4076.22  100.576  4161.72  142.740  3991.92  141.738   65.409   1.1242   64.058   1.1398 1.350258 1.600960 
1 1 1   14    6   21 o   35.836   0.9680  1258.14   66.823  1312.01   90.320  1192.99   99.324   36.699   1.2679   34.973   1.4630 1.725578 1.935949 
1 1 1   14    6   22 o   26.567   1.6527  713.296   72.975  730.409   84.426  662.734  145.120   27.328   1.5915   25.806   2.8970 1.522415 3.305334 
1 1 1   14    6   23 o   43.363   0.8820  1833.65   74.189  1771.43  102.608  1901.80  107.393   42.595   1.2410   44.132   1.2536 -1.536892 1.763952 
1 1 1   14    6   24 o   15.342   2.1690  248.365   62.259  266.939   86.528  228.428   89.649   16.010   2.8905   14.673   3.2346 1.337477 4.337923 
1 1 1   14    6   25 o   72.635   0.8351  5165.92  117.736  5249.81  167.195  5083.39  165.822   73.223   1.1763   72.048   1.1856 1.174927 1.670155 
1 1 1   14    6   26 o   30.997   1.1602  949.471   69.569  911.095   93.834  996.316  103.671   30.323   1.5941   31.671   1.6863 -1.347977 2.320478 
1 1 1   14    6   27 o   15.942   2.6769  288.920   81.223  271.585  108.742  310.798  122.159   15.456   3.6776   16.427   3.8908 -0.9708939 5.353801 
1 1 1   14    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    7    0 o  156.192   1.1343 23704.10  339.379 23781.34  445.658 23597.46  523.620  156.501   1.4670  155.883   1.7304 0.6178284 2.268553 
1 1 1   14    7    1 o  101.101   0.8194  9921.47  160.628  9884.11  221.610  9962.82  233.155  100.901   1.1314  101.301   1.1857 -0.3997345 1.638886 
1 1 1   14    7    2 o  191.429   1.2078 35491.00  445.831 34768.61  594.414 36419.96  674.071  189.215   1.6183  193.643   1.7932 -4.428955 2.415515 
1 1 1   14    7    3 o  153.942   1.0759 23010.28  320.632 22969.17  437.333 23058.05  471.473  153.797   1.4649  154.088   1.5762 -0.2912445 2.151833 
1 1 1   14    7    4 f  254.013   1.3963 62664.50  683.131 62533.54  910.547 62833.13  1033.22  253.724   1.8487  254.301   2.0931 -0.5777588 2.792620 
1 1 1   14    7    5 o   52.034   0.7143  2634.53   69.977  2603.61  113.452  2653.52   88.904   51.785   1.1286   52.282   0.8760 -0.4971695 1.428671 
1 1 1   14    7    6 o  132.255   1.0273 16992.59  263.647 16594.63  374.904 17381.96  370.837  130.721   1.4774  133.789   1.4279 -3.067535 2.054678 
1 1 1   14    7    7 o   83.531   0.7479  6774.31  121.254  6765.27  170.052  6783.67  172.942   83.474   1.0495   83.587   1.0658 -0.1129761 1.495790 
1 1 1   14    7    8 o  127.808   0.9409 15857.74  233.366 15550.93  325.543 16182.07  334.707  126.537   1.3253  129.079   1.3358 -2.541595 1.881731 
1 1 1   14    7    9 o   46.706   0.6411  2118.02   58.125  2121.39   82.303  2114.66   82.099   46.743   0.9071   46.669   0.9062 0.7423401E-01 1.282194 
1 1 1   14    7   10 o   61.805   0.7750  3710.18   89.578  3707.33  148.026  3711.83  112.519   61.782   1.2343   61.828   0.9375 -0.4667282E-01 1.549953 
1 1 1   14    7   11 f  169.725   1.2281 28000.08  404.618 28148.45  573.860 27853.40  570.586  170.172   1.7372  169.278   1.7364 0.8941040 2.456227 
1 1 1   14    7   12 o  110.005   0.9057 11756.43  193.393 11577.45  272.943 11936.87  274.059  109.164   1.2880  110.846   1.2737 -1.682709 1.811431 
1 1 1   14    7   13 o   58.460   0.6787  3318.93   77.017  3315.72  109.247  3322.11  108.593   58.431   0.9632   58.488   0.9565 -0.5653000E-01 1.357388 
1 1 1   14    7   14 o   18.911   1.3800  349.029   50.503  366.176   69.910  330.315   73.036   19.401   1.8563   18.422   2.0424 0.9789658 2.759934 
1 1 1   14    7   15 o   51.261   0.9131  2583.49   86.141  2651.29  106.859  2457.67  145.571   52.243   1.0537   50.278   1.4915 1.964954 1.826176 
1 1 1   14    7   16 o  107.356   0.9954 11206.37  207.431 11173.74  292.044 11239.59  294.678  107.199   1.4034  107.514   1.4119 -0.3142166 1.990782 
1 1 1   14    7   17 o   17.697   1.8072  320.039   58.293  396.412   80.232  234.644   84.839   20.168   2.0494   15.225   2.9772 4.942693 3.614402 
1 1 1   14    7   18 o   82.316   0.8444  6585.96  134.904  6659.53  192.541  6515.02  189.072   82.767   1.1984   81.865   1.1898 0.9019852 1.688709 
1 1 1   14    7   19 o   45.224   0.8145  1987.86   71.487  2050.52  102.034  1927.44  100.186   45.924   1.1446   44.523   1.1592 1.400646 1.629028 
1 1 1   14    7   20 o   41.151   0.8751  1646.64   69.827  1617.53   96.224  1679.01  101.486   40.769   1.2159   41.532   1.2588 -0.7635040 1.750121 
1 1 1   14    7   21 o   23.459   1.7627  523.450   72.517  500.287   84.996  585.417  139.023   22.605   1.9370   24.314   2.9455 -1.709440 3.525387 
1 1 1   14    7   22 o   39.065   0.8883  1488.88   67.338  1512.28   94.402  1464.65   96.080   39.381   1.2349   38.749   1.2773 0.6314354 1.776659 
1 1 1   14    7   23 o   28.097   1.1582  776.991   62.856  806.107   85.774  743.221   92.376   28.685   1.5404   27.510   1.7299 1.175007 2.316329 
1 1 1   14    7   24 o   37.484   0.9193  1376.43   66.877  1377.96   95.614  1374.96   93.575   37.501   1.3135   37.467   1.2866 0.3362274E-01 1.838618 
1 1 1   14    7   25 o   35.611   1.0524  1253.14   72.336  1403.13  102.206  1102.62  102.390   37.785   1.3934   33.437   1.5775 4.348083 2.104781 
1 1 1   14    7   26 o   27.232   1.3103  740.677   69.212  773.783   97.867  707.551   97.895   27.859   1.8097   26.606   1.8955 1.253139 2.620678 
1 1 1   14    7   27 o   8.6878   2.6239  -9.9193   82.395  103.318  125.526 -95.6428  109.217   10.627   4.1701   6.7484   3.1858 3.878763 5.247761 
1 1 1   14    8    0 o  182.616   1.1664 32379.98  411.751 32336.45  557.260 32432.31  611.058  182.485   1.5731  182.747   1.7225 -0.2618866 2.332777 
1 1 1   14    8    1 o  102.535   0.8129 10203.35  161.487 10148.67  221.370 10265.54  236.095  102.243   1.1154  102.828   1.1828 -0.5854263 1.625753 
1 1 1   14    8    2 o  158.157   1.0967 24295.38  334.829 24333.68  450.625 24248.18  500.299  158.301   1.4664  158.014   1.6311 0.2872467 2.193363 
1 1 1   14    8    3 o  151.038   1.0395 22129.57  303.412 21913.62  409.132 22393.49  452.285  150.224   1.4030  151.853   1.5344 -1.629044 2.079099 
1 1 1   14    8    4 o  229.516   1.3305 51168.02  588.006 51144.49  783.429 51198.38  889.830  229.467   1.7588  229.564   1.9968 -0.9631348E-01 2.660944 
1 1 1   14    8    5 o  125.712   0.9751 15338.32  236.486 15280.54  317.076 15410.76  355.013  125.448   1.3021  125.976   1.4518 -0.5272446 1.950119 
1 1 1   14    8    6 f  166.713   1.1296 27024.35  364.194 27369.26  495.967 26620.73  536.515  167.874   1.5220  165.552   1.6695 2.321686 2.259109 
1 1 1   14    8    7 o   75.708   0.7188  5561.45  105.603  5760.04  151.414  5373.35  147.360   77.024   1.0127   74.393   1.0204 2.630592 1.437639 
1 1 1   14    8    8 o   16.499   1.3421  263.512   42.893  247.797   58.420  281.891   63.178   15.967   1.8848   17.030   1.9111 -1.062727 2.684167 
1 1 1   14    8    9 o   95.111   0.7779  8784.63  143.618  8775.10  204.302  8793.93  201.931   95.059   1.1072   95.162   1.0931 -0.1025848 1.555879 
1 1 1   14    8   10 o   61.748   0.6717  3702.21   80.500  3700.81  113.092  3703.64  114.613   61.736   0.9437   61.759   0.9560 -0.2323151E-01 1.343315 
1 1 1   14    8   11 o   65.121   0.6798  4118.64   85.919  4168.79  120.765  4067.24  122.264   65.523   0.9495   64.719   0.9732 0.8037338 1.359642 
1 1 1   14    8   12 o   21.454   1.1642  449.245   48.292  483.569   67.283  412.775   69.355   22.305   1.5540   20.604   1.7341 1.700937 2.328464 
1 1 1   14    8   13 o   96.668   0.8716  9078.52  163.547  9158.97  231.369  8998.18  231.213   97.096   1.2275   96.239   1.2376 0.8568115 1.743167 
1 1 1   14    8   14 o   19.914   1.3221  386.670   50.937  423.327   72.051  350.044   72.021   20.862   1.7792   18.966   1.9562 1.895729 2.644300 
1 1 1   14    8   15 o   43.225   0.7720  1815.15   64.704  1815.66   89.441  1814.59   93.720   43.233   1.0658   43.218   1.1171 0.1464081E-01 1.543963 
1 1 1   14    8   16 o  116.049   1.0558 13097.05  237.815 13002.18  333.954 13194.65  338.740  115.623   1.4879  116.474   1.4982 -0.8509827 2.111512 
1 1 1   14    8   17 o   43.483   0.8468  1836.94   71.456  1782.03   99.887  1894.49  102.265   42.817   1.2018   44.148   1.1933 -1.330875 1.693580 
1 1 1   14    8   18 o   17.251   1.8455  292.371   59.197  222.053   79.756  378.629   88.334   14.809   2.8781   19.692   2.3109 -4.882750 3.690995 
1 1 1   14    8   19 o   38.111   0.9456  1419.75   69.621  1533.73   96.754  1297.36  100.258   39.710   1.2552   36.512   1.4146 3.198246 1.891156 
1 1 1   14    8   20 o   53.301   0.7863  2747.34   80.868  2623.75  107.640  2907.49  122.529   51.938   1.0676   54.664   1.1547 -2.726299 1.572650 
1 1 1   14    8   21 o   36.289   0.9780  1294.28   68.333  1425.80   94.397  1149.49   99.045   38.254   1.2712   34.324   1.4865 3.930275 1.955953 
1 1 1   14    8   22 o   31.305   1.0443  956.094   63.410  908.340   87.779  1008.21   91.699   30.488   1.4832   32.122   1.4706 -1.634167 2.088684 
1 1 1   14    8   23 o   11.855   2.3908  146.549   58.941  182.445   82.121  108.412   84.646   13.180   3.2340   10.531   3.5221 2.649313 4.781666 
1 1 1   14    8   24 o   18.718   1.6546  362.183   57.933  439.328   78.727  271.070   85.558   21.056   1.9261   16.380   2.6908 4.675772 3.309155 
1 1 1   14    8   25 o   16.053   2.0979  275.900   62.660  338.971   86.249  205.400   91.186   18.337   2.4230   13.769   3.4255 4.567864 4.195863 
1 1 1   14    8   26 o   33.981   1.0109  1138.40   66.384  1157.01   99.001  1123.20   89.481   34.208   1.4909   33.754   1.3657 0.4535675 2.021835 
1 1 1   14    8   27 o   11.558   2.9703  144.357   86.158  147.782  123.152  141.074  120.579   11.656   4.2247   11.461   4.1763 0.1947269 5.940541 
1 1 1   14    9    0 o  175.897   1.1529 30088.00  391.886 30516.71  531.730 29578.27  579.806  177.275   1.5452  174.519   1.7115 2.756439 2.305814 
1 1 1   14    9    1 o   25.785   0.8883  660.715   41.741  692.768   51.591  599.974   71.021   26.713   0.9949   24.857   1.4719 1.856533 1.776588 
1 1 1   14    9    2 o   57.410   0.7199  3163.98   75.775  3093.57   92.486  3307.77  132.162   56.452   0.8440   58.369   1.1664 -1.917297 1.439745 
1 1 1   14    9    3 o  105.672   0.8352 10840.63  171.085 10818.95  235.751 10864.75  248.667  105.562   1.1505  105.783   1.2110 -0.2213974 1.670355 
1 1 1   14    9    4 o  160.827   1.0954 25086.85  340.614 24772.87  460.164 25467.36  506.577  159.719   1.4842  161.935   1.6115 -2.215714 2.190862 
1 1 1   14    9    5 o   68.860   0.6607  4602.57   88.283  4578.57  123.155  4627.94  126.618   68.676   0.9238   69.045   0.9447 -0.3689270 1.321330 
1 1 1   14    9    6 o  101.313   0.8386  9956.23  164.706  9783.06  226.282 10151.35  240.199  100.378   1.1613  102.249   1.2102 -1.870338 1.677246 
1 1 1   14    9    7 o  236.313   1.2853 54259.96  589.594 54124.23  829.882 54398.30  837.798  236.016   1.8114  236.611   1.8241 -0.5950012 2.570664 
1 1 1   14    9    8 o  170.992   1.0765 28415.13  356.791 28201.35  517.950 28608.19  492.193  170.375   1.5661  171.609   1.4775 -1.233719 2.153064 
1 1 1   14    9    9 o   70.290   0.6912  4797.35   94.311  4800.25  133.977  4794.51  132.784   70.311   0.9816   70.269   0.9735 0.4186249E-01 1.382452 
1 1 1   14    9   10 o  130.262   0.9706 16484.60  245.414 16629.36  346.726 16339.28  347.411  130.835   1.3652  129.688   1.3800 1.147430 1.941173 
1 1 1   14    9   11 o  174.450   1.2414 29581.53  420.265 29659.65  602.255 29507.38  586.738  174.672   1.7762  174.229   1.7348 0.4426575 2.482854 
1 1 1   14    9   12 o  134.937   1.1085 17698.63  290.334 17692.55  408.391 17704.83  412.834  134.915   1.5594  134.959   1.5758 -0.4472351E-01 2.216955 
1 1 1   14    9   13 o   97.443   0.8727  9216.15  164.987  8970.80  228.763  9482.10  238.175   96.093   1.2264   98.792   1.2420 -2.699341 1.745422 
1 1 1   14    9   14 o   44.390   0.7387  1913.16   63.637  1865.05   88.994  1963.50   91.033   43.819   1.0462   44.961   1.0430 -1.141800 1.477343 
1 1 1   14    9   15 o  103.673   0.9602 10446.19  193.225 10546.44  274.605 10347.88  271.939  104.166   1.3581  103.180   1.3577 0.9851913 1.920340 
1 1 1   14    9   16 o  132.482   1.1792 17078.16  303.256 17249.74  431.287 16910.38  426.490  133.140   1.6688  131.824   1.6667 1.315735 2.358497 
1 1 1   14    9   17 o  119.522   1.0898 13900.51  252.852 13884.37  358.407 13916.50  356.771  119.452   1.5457  119.592   1.5368 -0.1398621 2.179662 
1 1 1   14    9   18 o   86.200   0.8612  7219.79  144.031  7090.48  200.073  7358.89  207.513   85.400   1.2069   86.999   1.2288 -1.598732 1.722326 
1 1 1   14    9   19 o   50.881   1.0416  2583.96   93.985  2685.11  113.272  2360.43  168.384   52.553   1.1104   49.210   1.7627 3.342804 2.083277 
1 1 1   14    9   20 o   34.637   0.9424  1167.38   63.323  1228.06   90.938  1110.25   88.229   35.511   1.3192   33.762   1.3462 1.748592 1.884831 
1 1 1   14    9   21 o   26.499   1.1673  685.741   59.973  679.018   82.673  693.208   87.133   26.366   1.6153   26.632   1.6854 -0.2665672 2.334499 
1 1 1   14    9   22 o   57.793   0.7903  3254.71   88.585  3258.34  122.817  3250.76  127.892   57.831   1.0940   57.754   1.1408 0.7680511E-01 1.580594 
1 1 1   14    9   23 o   27.521   1.1231  739.764   59.745  776.271   89.477  710.393   80.258   28.121   1.6391   26.920   1.5359 1.201244 2.246236 
1 1 1   14    9   24 o   16.564   1.9385  277.858   62.321  274.290   87.331  281.560   88.961   16.457   2.7336   16.670   2.7491 -0.2127190 3.876910 
1 1 1   14    9   25 o   17.556   1.9321  328.746   60.553  464.740   86.412  197.539   84.878   21.575   2.0633   13.537   3.2673 8.037750 3.864297 
1 1 1   14    9   26 o   18.891   1.7825  366.915   64.987  400.067   90.523  331.656   93.354   19.840   2.3505   17.943   2.6803 1.896765 3.564945 
1 1 1   14    9   27 o   24.495   1.8575  618.822   87.865  572.540  117.182  678.260  132.797   23.494   2.5695   25.497   2.6831 -2.003220 3.715018 
1 1 1   14   10    0 o  220.438   1.2968 47160.77  549.909 46926.84  729.511 47468.62  836.875  219.816   1.7097  221.060   1.9502 -1.244629 2.593510 
1 1 1   14   10    1 f   82.202   0.7016  6551.82  111.744  6434.88  152.819  6686.19  163.812   81.415   0.9670   82.989   1.0169 -1.573662 1.403209 
1 1 1   14   10    2 o  184.094   1.1796 32850.23  418.714 32370.44  558.675 33465.14  632.470  182.570   1.5764  185.619   1.7553 -3.048401 2.359262 
1 1 1   14   10    3 o  112.039   0.8791 12165.11  190.603 11911.47  258.355 12468.04  282.345  110.762   1.2016  113.317   1.2836 -2.555435 1.758242 
1 1 1   14   10    4 o  244.122   1.3772 57820.18  646.695 57352.51  856.878 58439.06  985.726  242.991   1.8166  245.253   2.0705 -2.262466 2.754470 
1 1 1   14   10    5 o   52.381   0.6162  2666.76   62.581  2767.14   87.556  2561.92   89.481   53.390   0.8448   51.372   0.8973 2.018417 1.232427 
1 1 1   14   10    6 o   18.641   1.1683  346.606   41.100  392.624   54.634  286.611   62.381   20.107   1.3997   17.176   1.8710 2.931501 2.336662 
1 1 1   14   10    7 o   68.899   0.6873  4611.01   91.876  4706.60  128.933  4512.40  130.954   69.625   0.9540   68.173   0.9896 1.452393 1.374513 
1 1 1   14   10    8 o  165.215   1.0584 26494.51  338.716 26854.02  497.121 26182.99  462.755  166.256   1.5404  164.174   1.4520 2.081497 2.116871 
1 1 1   14   10    9 o   60.625   0.6391  3565.34   75.175  3464.10  104.340  3674.62  108.404   59.731   0.8999   61.519   0.9078 -1.788094 1.278201 
1 1 1   14   10   10 o   88.005   0.7918  7516.77  135.215  7750.06  194.087  7296.75  188.481   89.331   1.1193   86.679   1.1202 2.651901 1.583521 
1 1 1   14   10   11 o   73.686   0.8508  5277.60  116.642  5287.08  145.581  5260.61  194.932   73.786   1.0164   73.585   1.3647 0.2007294 1.701583 
1 1 1   14   10   12 o   85.726   0.7980  7138.03  132.787  7106.75  186.835  7169.97  188.757   85.536   1.1252   85.916   1.1318 -0.3792419 1.595963 
1 1 1   14   10   13 o  119.159   0.9727 13797.58  224.985 13945.09  318.834 13651.28  317.523  119.793   1.3711  118.524   1.3801 1.269623 1.945385 
1 1 1   14   10   14 o   21.164   1.2438  435.410   51.057  429.378   70.620  442.016   73.902   21.011   1.7315   21.316   1.7860 -0.3055286 2.487530 
1 1 1   14   10   15 o   47.369   0.7634  2180.46   70.162  2202.14   98.055  2157.71  100.438   47.611   1.0609   47.127   1.0979 0.4842834 1.526751 
1 1 1   14   10   16 o  101.095   0.9536  9932.15  187.085 10101.80  268.791  9772.74  260.558  101.931   1.3584  100.260   1.3388 1.671402 1.907285 
1 1 1   14   10   17 o   63.977   0.7775  3975.69   96.533  4104.47  138.329  3853.44  134.776   64.986   1.0965   62.967   1.1026 2.019123 1.555060 
1 1 1   14   10   18 o   26.892   1.1961  710.851   61.853  780.641   84.871  631.797   90.330   28.321   1.5438   25.464   1.8274 2.856792 2.392244 
1 1 1   14   10   19 o   17.324   1.8081  289.908   60.357  260.015   79.709  330.084   92.408   16.294   2.5200   18.354   2.5936 -2.059832 3.616278 
1 1 1   14   10   20 o   55.789   0.7895  3025.12   85.457  3136.81  123.304  2921.88  118.544   56.779   1.1187   54.799   1.1144 1.979214 1.579069 
1 1 1   14   10   21 o   29.844   1.0429  869.587   60.263  864.190   88.278  874.296   82.467   29.752   1.5285   29.937   1.4191 -0.1855621 2.085709 
1 1 1   14   10   22 o   18.689   1.6035  337.052   57.531  287.423   75.215  407.029   89.313   17.067   2.2702   20.311   2.2653 -3.243738 3.207082 
1 1 1   14   10   23 f   42.359   0.8410  1750.81   69.119  1809.30   99.511  1696.27   96.079   43.041   1.1910   41.676   1.1876 1.365360 1.681952 
1 1 1   14   10   24 o   9.1702   2.3410   45.624   62.625 -54.8647   88.516  146.337   88.615   6.5951   3.0289   11.745   3.5702 -5.150167 4.681990 
1 1 1   14   10   25 o   23.405   1.3735  544.910   62.357  561.782   90.326  529.546   86.192   23.746   1.9596   23.065   1.9251 0.6809483 2.746995 
1 1 1   14   10   26 o   29.499   1.2288  868.906   70.124  944.615   98.805  792.064   99.541   30.834   1.6507   28.165   1.8207 2.669710 2.457609 
1 1 1   14   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   11    0 o  184.007   1.1776 32866.46  418.416 32722.61  562.992 33043.96  625.372  183.563   1.5800  184.451   1.7466 -0.8877411 2.355193 
1 1 1   14   11    1 o   30.366   0.6703  889.617   39.388  821.718   53.237  971.732   58.546   29.094   0.9427   31.638   0.9533 -2.544346 1.340644 
1 1 1   14   11    2 o   79.889   0.7118  6200.04  110.308  6403.30  155.154  5992.30  156.856   81.215   0.9842   78.564   1.0285 2.650452 1.423523 
1 1 1   14   11    3 o  148.764   1.0986 21465.63  313.820 21312.79  413.737 21672.70  481.562  148.148   1.4387  149.381   1.6607 -1.233398 2.197208 
1 1 1   14   11    4 o   62.471   0.7939  3849.69   91.029  3985.06  112.876  3597.87  153.949   64.070   0.9076   60.872   1.3028 3.198425 1.587794 
1 1 1   14   11    5 o  212.352   1.2955 43806.96  530.755 43823.13  712.331 43786.80  795.784  212.406   1.7276  212.297   1.9310 0.1084900 2.591043 
1 1 1   14   11    6 o   82.046   0.7406  6537.62  117.685  6563.42  161.279  6508.23  172.113   82.220   1.0105   81.872   1.0830 0.3483200 1.481179 
1 1 1   14   11    7 o  139.559   0.9918 18917.82  268.674 18996.74  379.848 18838.81  380.076  139.851   1.3992  139.268   1.4059 0.5830231 1.983512 
1 1 1   14   11    8 o   97.839   0.8200  9296.27  155.712  9294.54  222.387  9297.93  218.097   97.830   1.1710   97.849   1.1482 -0.1890564E-01 1.640053 
1 1 1   14   11    9 o  121.554   0.9618 14344.31  226.869 14702.41  325.742 14006.98  316.155  123.026   1.3640  120.081   1.3563 2.944267 1.923554 
1 1 1   14   11   10 o  130.988   0.9994 16674.27  253.997 16477.46  363.287 16862.48  355.258  130.229   1.4371  131.746   1.3891 -1.517090 1.998708 
1 1 1   14   11   11 o  108.774   0.9228 11496.86  194.748 11415.13  279.313 11574.19  271.676  108.396   1.3274  109.152   1.2822 -0.7560883 1.845553 
1 1 1   14   11   12 o  128.960   1.0131 16160.61  253.580 16085.24  355.995 16238.24  361.297  128.655   1.4254  129.264   1.4399 -0.6087952 2.026108 
1 1 1   14   11   13 o  127.108   1.1251 15703.32  277.575 15954.15  396.193 15461.51  389.006  128.104   1.5932  126.111   1.5891 1.992821 2.250214 
1 1 1   14   11   14 o   42.321   0.7483  1737.85   61.399  1704.17   84.406  1775.71   89.480   41.886   1.0381   42.755   1.0781 -0.8687668 1.496666 
1 1 1   14   11   15 o  105.775   1.1736 10959.48  230.374 10621.58  384.365 11148.91  287.795  104.458   1.8956  107.093   1.3844 -2.634499 2.347264 
1 1 1   14   11   16 o   44.609   0.8021  1933.55   69.448  1947.03   98.933  1920.45   97.512   44.762   1.1386   44.456   1.1300 0.3061104 1.604123 
1 1 1   14   11   17 o   84.512   0.8463  6943.35  138.843  6930.58  195.768  6956.27  196.944   84.434   1.1944   84.590   1.1994 -0.1557312 1.692679 
1 1 1   14   11   18 o   59.653   0.7807  3458.83   90.385  3377.04  127.388  3541.76  128.264   58.942   1.1134   60.364   1.0946 -1.421886 1.561330 
1 1 1   14   11   19 o   23.960   1.3066  563.995   60.284  602.407   82.118  519.099   88.780   24.860   1.7017   23.060   1.9833 1.800467 2.613289 
1 1 1   14   11   20 o   41.523   0.8745  1677.79   70.454  1650.03   97.832  1707.70  101.546   41.168   1.2242   41.879   1.2491 -0.7106209 1.748997 
1 1 1   14   11   21 o   10.141   2.4241   96.626   56.598   97.670   83.131   95.724   77.273   10.233   3.4901   10.049   3.3652 0.1843405 4.848286 
1 1 1   14   11   22 o   47.458   0.8315  2195.91   76.600  2185.89  107.664  2206.18  109.007   47.350   1.1714   47.567   1.1805 -0.2175865 1.663057 
1 1 1   14   11   23 o   30.783   1.0756  928.218   64.167  856.177   89.118  1005.77   92.465   29.537   1.5543   32.029   1.4872 -2.491436 2.151176 
1 1 1   14   11   24 o   41.678   0.8694  1701.34   70.329  1711.35  100.455  1691.73   98.495   41.795   1.2382   41.560   1.2209 0.2349319 1.738845 
1 1 1   14   11   25 o   36.316   0.9742  1297.49   68.661  1309.76   96.442  1284.87   97.774   36.496   1.3613   36.136   1.3939 0.3597679 1.948339 
1 1 1   14   11   26 o   12.959   2.4586  189.844   65.431  242.962   89.155  127.835   96.328   14.938   3.1726   10.981   3.7569 3.956649 4.917293 
1 1 1   14   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   12    0 o  128.470   0.9629 16026.85  239.645 16037.86  328.597 16014.35  350.256  128.519   1.3171  128.421   1.4050 0.9779358E-01 1.925858 
1 1 1   14   12    1 o   89.954   0.7556  7855.72  131.788  7851.27  182.092  7860.62  190.977   89.928   1.0431   89.981   1.0934 -0.5242920E-01 1.511138 
1 1 1   14   12    2 f  127.783   0.9553 15837.09  236.315 15618.09  321.606 16094.10  348.400  126.826   1.3063  128.740   1.3941 -1.914536 1.910509 
1 1 1   14   12    3 o  180.241   1.1726 31515.24  407.850 31222.07  546.655 31883.33  612.523  179.303   1.5706  181.180   1.7416 -1.876709 2.345187 
1 1 1   14   12    4 o  205.865   1.2585 41225.30  499.986 41742.55  674.062 40592.62  745.497  207.312   1.6750  204.418   1.8787 2.893417 2.516971 
1 1 1   14   12    5 o  217.096   1.4739 45828.42  614.628 46005.86  813.344 45592.19  938.449  217.605   1.9255  216.587   2.2321 1.018280 2.947843 
1 1 1   14   12    6 o  158.117   1.0617 24283.96  325.821 24314.45  457.557 24252.60  464.074  158.218   1.4898  158.015   1.5129 0.2031708 2.123313 
1 1 1   14   12    7 o   71.942   0.6814  5020.26   95.081  4908.63  131.294  5143.37  137.876   71.103   0.9512   72.782   0.9759 -1.679642 1.362799 
1 1 1   14   12    8 o   52.701   0.6350  2697.10   64.921  2711.16   90.400  2682.13   93.294   52.843   0.8813   52.559   0.9144 0.2843590 1.269962 
1 1 1   14   12    9 o  109.739   0.9162 11692.28  195.105 11313.75  272.956 12087.72  278.983  107.923   1.3029  111.555   1.2883 -3.631401 1.832301 
1 1 1   14   12   10 o   65.591   0.6803  4179.31   86.579  4316.97  122.144  4040.30  122.741   66.677   0.9437   64.504   0.9802 2.173088 1.360675 
1 1 1   14   12   11 o   58.636   0.6571  3337.50   74.784  3401.65  107.058  3276.36  104.509   59.186   0.9318   58.086   0.9269 1.100071 1.314297 
1 1 1   14   12   12 o   91.131   0.8475  8066.34  149.894  8125.73  214.667  8009.82  209.396   91.457   1.2092   90.804   1.1879 0.6532059 1.695072 
1 1 1   14   12   13 o   44.715   0.7110  1941.99   61.703  1947.01   86.461  1936.78   88.083   44.774   0.9948   44.656   1.0161 0.1184006 1.422021 
1 1 1   14   12   14 o   39.272   0.8844  1498.81   66.489  1497.73  102.904  1499.58   87.115   39.256   1.3504   39.288   1.1423 -0.3175354E-01 1.768705 
1 1 1   14   12   15 o   84.879   0.8298  6999.14  136.697  6928.70  191.072  7072.99  195.648   84.442   1.1657   85.316   1.1814 -0.8733826 1.659630 
1 1 1   14   12   16 o   91.492   0.8790  8133.97  156.092  8276.99  223.013  7996.62  218.548   92.280   1.2450   90.704   1.2412 1.576027 1.758010 
1 1 1   14   12   17 o   37.445   0.8600  1361.71   62.478  1412.08   90.116  1315.09   86.698   38.111   1.2181   36.779   1.2143 1.331833 1.720010 
1 1 1   14   12   18 o   29.620   1.0528  856.793   60.269  815.371   88.123  893.194   82.610   28.940   1.5686   30.299   1.4045 -1.358704 2.105548 
1 1 1   14   12   19 o   73.477   0.8060  5250.57  114.963  5217.08  162.557  5284.07  162.607   73.242   1.1434   73.711   1.1364 -0.4696045 1.612054 
1 1 1   14   12   20 o   79.545   0.8318  6155.78  128.407  6004.83  179.104  6315.42  184.193   78.542   1.1747   80.547   1.1780 -2.004921 1.663658 
1 1 1   14   12   21 o   7.0413   2.1851 -17.4238   57.394  -9.8725   79.027 -25.8525   83.492   7.1005   3.0840   6.9822   3.0963 0.1182628 4.370158 
1 1 1   14   12   22 o   35.491   0.9410  1233.96   64.535  1179.96   94.652  1280.86   88.220   34.751   1.4031   36.231   1.2544 -1.479412 1.882061 
1 1 1   14   12   23 o   37.058   0.9790  1343.31   70.337  1250.04   97.709  1443.63  101.334   35.719   1.4092   38.398   1.3595 -2.678699 1.958097 
1 1 1   14   12   24 o   29.234   1.1322  835.512   63.959  948.563   95.346  743.025   86.240   31.021   1.5833   27.446   1.6187 3.575350 2.264312 
1 1 1   14   12   25 o   13.032   2.2569  183.371   62.824  277.437   86.988   80.818   90.828   16.468   2.7211   9.5954   3.6013 6.872702 4.513789 
1 1 1   14   12   26 o   37.476   0.9643  1392.54   69.726  1311.23  102.503  1462.56   95.125   36.413   1.4502   38.539   1.2715 -2.126629 1.928660 
1 1 1   14   12   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   13    0 o  113.963   0.8902 12611.34  196.553 12627.81  269.768 12592.71  286.963  114.043   1.2186  113.882   1.2981 0.1612930 1.780447 
1 1 1   14   13    1 o   30.572   0.6952  903.341   41.109  862.738   55.386  953.147   61.343   29.811   0.9571   31.334   1.0085 -1.522696 1.390385 
1 1 1   14   13    2 o  144.446   1.0290 20271.94  287.690 20408.41  392.978 20114.34  422.315  144.973   1.3964  143.919   1.5117 1.054016 2.057937 
1 1 1   14   13    3 o  167.836   1.1404 27362.35  369.887 27411.89  500.387 27302.66  549.214  168.008   1.5343  167.663   1.6875 0.3448792 2.280714 
1 1 1   14   13    4 o  193.650   1.2569 36388.51  469.919 36067.73  631.197 36787.38  703.856  192.701   1.6874  194.599   1.8633 -1.897537 2.513783 
1 1 1   14   13    5 o  100.162   0.8184  9729.94  158.877  9550.71  217.839  9933.61  232.221   99.179   1.1315  101.146   1.1827 -1.966820 1.636811 
1 1 1   14   13    6 o   48.358   0.6257  2271.81   58.702  2338.40   82.447  2203.35   83.598   49.078   0.8654   47.639   0.9040 1.438778 1.251464 
1 1 1   14   13    7 o  102.124   0.8265 10128.43  163.833 10295.89  232.038  9961.95  231.353  102.966   1.1609  101.282   1.1767 1.684326 1.653000 
1 1 1   14   13    8 o  102.832   0.8354 10269.60  166.758 10260.57  235.018 10278.76  236.655  102.787   1.1779  102.878   1.1850 -0.9066772E-01 1.670829 
1 1 1   14   13    9 o   62.346   0.6674  3774.72   80.761  3836.86  114.063  3712.26  114.365   62.861   0.9348   61.831   0.9528 1.029675 1.334798 
1 1 1   14   13   10 o   68.542   0.6774  4562.84   90.108  4614.38  126.482  4509.71  128.404   68.936   0.9452   68.148   0.9706 0.7871399 1.354816 
1 1 1   14   13   11 o   78.638   0.7490  6005.11  114.320  6065.18  163.200  5947.24  160.188   79.024   1.0639   78.252   1.0546 0.7715988 1.497983 
1 1 1   14   13   12 f  120.903   0.9755 14204.44  228.933 14198.43  323.373 14210.47  324.148  120.878   1.3781  120.929   1.3809 -0.5095673E-01 1.950905 
1 1 1   14   13   13 o   14.731   1.9993  224.991   54.258  174.994   84.636  259.875   70.696   13.127   3.3194   16.336   2.2294 -3.209108 3.998621 
1 1 1   14   13   14 o   93.239   0.8757  8447.01  158.469  8420.48  221.837  8474.66  226.454   93.091   1.2276   93.388   1.2492 -0.2971497 1.751423 
1 1 1   14   13   15 o   54.471   0.7190  2877.54   75.911  2796.95  104.067  2969.19  110.973   53.658   0.9991   55.284   1.0341 -1.625805 1.437901 
1 1 1   14   13   16 o   44.193   0.7818  1898.68   67.032  1934.28   93.854  1861.61   95.771   44.617   1.0836   43.769   1.1272 0.8480911 1.563604 
1 1 1   14   13   17 o   52.916   0.7624  2722.94   78.195  2540.41  110.143  2908.43  111.032   51.125   1.1098   54.707   1.0455 -3.582172 1.524747 
1 1 1   14   13   18 o   58.411   0.9625  3268.91  102.037  3181.26  123.217  3460.17  182.022   57.206   1.1096   59.615   1.5729 -2.408405 1.924901 
1 1 1   14   13   19 o   44.610   0.8187  1939.65   70.755  1842.75  101.560  2031.03   98.631   43.522   1.2021   45.699   1.1118 -2.177032 1.637466 
1 1 1   14   13   20 o   8.8070   2.3667   44.470   59.372   97.194   83.021 -10.7217   84.942   10.241   3.4879   7.3728   3.1999 2.868255 4.733312 
1 1 1   14   13   21 o   37.293   0.9102  1354.37   65.718  1333.05   89.418  1379.41   96.913   36.979   1.2457   37.606   1.3276 -0.6264954 1.820473 
1 1 1   14   13   22 o   53.713   0.7915  2813.40   82.493  2777.60  117.958  2847.68  115.409   53.374   1.1385   54.052   1.0999 -0.6772461 1.583038 
1 1 1   14   13   23 o   12.031   2.4592  152.672   61.186  128.480   87.385  175.939   85.700   11.192   3.5681   12.870   3.3850 -1.678291 4.918324 
1 1 1   14   13   24 o   32.958   1.0641  1064.49   67.920  1166.06   99.698  976.531   92.782   34.423   1.4920   31.494   1.5176 2.928995 2.128234 
1 1 1   14   13   25 f   29.218   1.1897  847.174   67.199  944.507   95.865  753.146   94.223   30.900   1.5982   27.536   1.7627 3.363291 2.379416 
1 1 1   14   13   26 o   26.662   1.2803  709.797   66.008  721.119   98.038  700.409   89.274   26.825   1.8828   26.499   1.7355 0.3251820 2.560610 
1 1 1   14   13   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   14    0 o   91.815   0.7743  8174.24  137.824  7996.27  189.370  8374.68  200.970   90.754   1.0749   92.876   1.1147 -2.121628 1.548571 
1 1 1   14   14    1 o  174.471   1.1586 29517.32  390.144 29142.13  522.897 29988.47  585.967  173.228   1.5550  175.714   1.7179 -2.486282 2.317169 
1 1 1   14   14    2 f   85.557   0.7426  7107.91  123.174  7133.92  170.093  7079.23  178.606   85.722   1.0222   85.392   1.0775 0.3304291 1.485210 
1 1 1   14   14    3 o  154.094   1.0883 23073.93  324.182 23218.58  439.667 22901.59  479.897  154.627   1.4648  153.560   1.6099 1.067566 2.176564 
1 1 1   14   14    4 o  154.227   1.0933 23108.39  326.041 23182.84  442.436 23019.93  482.327  154.503   1.4752  153.950   1.6140 0.5528259 2.186571 
1 1 1   14   14    5 o   78.519   0.8366  6019.60  122.180  6104.29  152.908  5870.03  203.202   79.292   0.9934   77.746   1.3464 1.546570 1.673248 
1 1 1   14   14    6 o   66.424   0.6693  4282.76   86.256  4462.00  122.984  4109.23  121.009   67.792   0.9346   65.056   0.9582 2.735626 1.338503 
1 1 1   14   14    7 o   36.674   0.6697  1301.74   47.601  1230.93   65.096  1383.12   69.783   35.606   0.9418   37.742   0.9525 -2.136806 1.339495 
1 1 1   14   14    8 o  111.935   0.9084 12169.78  197.382 12154.49  278.482 12185.23  279.803  111.865   1.2824  112.006   1.2869 -0.1410828 1.816806 
1 1 1   14   14    9 f  153.329   1.0570 22841.72  314.575 22994.60  447.510 22692.38  442.289  153.836   1.4986  152.822   1.4909 1.013428 2.113904 
1 1 1   14   14   10 f   76.276   0.8839  5593.94  124.212  5473.38  152.402  5832.47  214.374   75.074   1.0458   77.479   1.4254 -2.404915 1.767844 
1 1 1   14   14   11 o   39.552   0.6968  1516.11   53.446  1606.30   77.557  1434.55   73.754   40.669   0.9824   38.434   0.9886 2.235817 1.393697 
1 1 1   14   14   12 o  122.463   1.2461 14491.51  285.983 14938.54  473.738 14235.20  358.720  123.910   1.9696  121.017   1.5270 2.893303 2.492172 
1 1 1   14   14   13 o   23.906   1.0554  547.755   48.593  466.989   64.771  651.748   73.497   21.917   1.5224   25.894   1.4622 -3.976789 2.110826 
1 1 1   14   14   14 o   26.696   1.0301  697.340   52.701  724.240   69.989  662.116   80.089   27.298   1.3208   26.094   1.5811 1.204565 2.060216 
1 1 1   14   14   15 f   38.289   0.9818  1394.66   67.382  1347.87   80.384  1505.23  123.573   37.244   1.1118   39.333   1.6184 -2.089027 1.963557 
1 1 1   14   14   16 o  107.621   0.9859 11255.99  205.891 10996.53  286.588 11532.74  295.987  106.341   1.3883  108.901   1.4002 -2.560059 1.971777 
1 1 1   14   14   17 o   87.300   0.8596  7409.29  145.671  7414.05  206.295  7404.55  205.726   87.328   1.2169   87.272   1.2144 0.5563354E-01 1.719196 
1 1 1   14   14   18 o   19.722   1.5310  383.803   57.852  349.461   86.692  411.374   77.677   18.907   2.3621   20.537   1.9485 -1.630142 3.062025 
1 1 1   14   14   19 o   29.179   1.0803  829.209   61.171  849.927   87.828  809.690   85.247   29.532   1.5321   28.825   1.5235 0.7068672 2.160607 
1 1 1   14   14   20 o   22.278   1.4027  490.791   59.911  407.865   85.514  570.731   83.960   20.393   2.1602   24.163   1.7900 -3.769609 2.805465 
1 1 1   14   14   21 o   30.834   1.0976  928.862   65.622  870.157   91.741  990.367   93.904   29.833   1.5842   31.836   1.5195 -2.003283 2.195101 
1 1 1   14   14   22 o   34.762   1.0054  1182.34   67.788  1134.46   96.270  1229.43   95.470   34.057   1.4562   35.467   1.3867 -1.409508 2.010826 
1 1 1   14   14   23 o   38.061   0.9180  1416.49   67.757  1453.73   98.445  1382.96   93.399   38.531   1.3162   37.590   1.2800 0.9405975 1.835944 
1 1 1   14   14   24 o   46.644   0.8365  2128.13   75.683  2083.69  104.594  2176.97  109.650   46.138   1.1678   47.149   1.1980 -1.011070 1.673059 
1 1 1   14   14   25 o   8.5795   2.3745   54.673   57.402   46.310   85.905   61.420   77.156   8.4970   3.4116   8.6619   3.3035 -0.1648865 4.748925 
1 1 1   14   14   26 o   15.601   2.2530  266.520   65.874  281.316   91.657  250.713   94.739   16.135   3.0378   15.067   3.3281 1.068527 4.506060 
1 1 1   14   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15    0 o   41.725   0.5936  1691.73   48.024  1734.53   66.890  1646.20   68.992   42.271   0.8152   41.180   0.8631 1.090767 1.187186 
1 1 1   14   15    1 o   87.497   0.7421  7419.34  125.790  7238.17  171.640  7629.54  184.885   86.346   1.0240   88.649   1.0744 -2.302551 1.484234 
1 1 1   14   15    2 o  120.125   0.9288 14001.70  216.071 13874.10  295.022 14149.32  317.338  119.536   1.2714  120.713   1.3543 -1.176605 1.857561 
1 1 1   14   15    3 o   49.296   0.7361  2380.05   66.354  2422.63   81.575  2296.79  114.073   49.956   0.8412   48.636   1.2082 1.319454 1.472242 
1 1 1   14   15    4 o  105.323   0.8385 10757.16  171.011 10580.98  232.935 10963.13  251.865  104.390   1.1495  106.256   1.2211 -1.865776 1.677026 
1 1 1   14   15    5 o   97.280   0.8478  9188.55  159.980  9217.82  230.797  9161.48  221.955   97.428   1.2203   97.132   1.1772 0.2964630 1.695568 
1 1 1   14   15    6 o  113.241   0.8732 12435.68  191.785 12017.65  264.677 12897.80  278.285  111.241   1.2257  115.241   1.2440 -4.000496 1.746392 
1 1 1   14   15    7 o   42.290   0.6556  1734.42   53.735  1702.13   73.687  1771.10   78.531   41.870   0.9066   42.709   0.9472 -0.8391914 1.311178 
1 1 1   14   15    8 o   70.803   0.6851  4867.00   94.156  4816.43  131.995  4919.38  134.348   70.429   0.9655   71.178   0.9724 -0.7485123 1.370258 
1 1 1   14   15    9 o   51.865   0.8321  2643.76   77.065  2693.97   92.833  2532.46  138.225   52.673   0.9079   51.056   1.3947 1.617302 1.664159 
1 1 1   14   15   10 o   52.447   0.6627  2671.06   67.469  2690.53   95.429  2651.61   95.403   52.638   0.9339   52.255   0.9405 0.3822594 1.325446 
1 1 1   14   15   11 o   32.292   0.9097  1009.67   55.339  1027.26   90.230  999.072   70.064   32.513   1.4297   32.071   1.1254 0.4415398 1.819488 
1 1 1   14   15   12 o   67.716   0.7018  4450.58   92.208  4634.93  132.108  4275.46  128.760   69.083   0.9851   66.349   0.9997 2.733566 1.403547 
1 1 1   14   15   13 f   53.285   0.6893  2755.91   71.194  2726.41   97.871  2789.07  103.755   52.983   0.9516   53.587   0.9974 -0.6036987 1.378547 
1 1 1   14   15   14 o   64.434   0.9116  4070.10  106.166  4133.36  129.048  3937.62  186.749   65.231   1.0191   63.637   1.5118 1.594437 1.823197 
1 1 1   14   15   15 o   75.537   0.7754  5544.36  113.702  5552.76  160.395  5535.88  161.205   75.595   1.0930   75.480   1.1002 0.1155090 1.550876 
1 1 1   14   15   16 o   31.268   0.9671  950.269   58.654  1003.94   83.986  899.170   81.950   32.131   1.3466   30.406   1.3884 1.724550 1.934149 
1 1 1   14   15   17 o   41.486   0.8194  1670.62   65.940  1603.85   91.253  1743.58   95.390   40.620   1.1573   42.352   1.1603 -1.732273 1.638780 
1 1 1   14   15   18 o   17.375   1.8168  302.943   58.902  247.902   84.006  356.171   82.610   15.657   2.8697   19.093   2.2289 -3.435856 3.633672 
1 1 1   14   15   19 o   59.027   0.9702  3353.39  104.792  3276.36  127.641  3512.65  183.544   58.032   1.1331   60.022   1.5753 -1.990467 1.940462 
1 1 1   14   15   20 o   34.431   0.9437  1159.62   62.426  1124.32   94.555  1186.90   83.114   33.954   1.4346   34.908   1.2265 -0.9545593 1.887448 
1 1 1   14   15   21 o   50.164   0.8147  2448.81   79.258  2307.05  110.017  2601.77  114.279   48.654   1.1649   51.673   1.1393 -3.018929 1.629394 
1 1 1   14   15   22 o   25.369   1.3058  632.967   64.167  580.830   89.972  686.939   91.541   24.294   1.9078   26.443   1.7833 -2.149006 2.611540 
1 1 1   14   15   23 o   39.841   0.8948  1559.66   68.922  1458.72   99.823  1651.61   95.276   38.586   1.3327   41.096   1.1943 -2.509853 1.789573 
1 1 1   14   15   24 o   59.872   0.8100  3506.87   94.092  3538.18  135.580  3477.78  130.687   60.122   1.1617   59.621   1.1292 0.5014801 1.620069 
1 1 1   14   15   25 o   43.345   0.8913  1847.70   74.764  1833.07  109.841  1860.32  102.052   43.163   1.3110   43.527   1.2078 -0.3642349 1.782518 
1 1 1   14   15   26 o   15.442   2.3104  259.879   68.652  332.961   99.177  192.642   95.128   17.830   2.8654   13.054   3.6250 4.776182 4.620774 
1 1 1   14   15   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16    0 o  144.012   1.0325 20139.15  287.555 20135.14  390.067 20143.93  425.578  143.999   1.3955  144.024   1.5222 -0.2514648E-01 2.065054 
1 1 1   14   16    1 o   85.547   0.7413  7098.80  122.939  6992.87  169.045  7217.74  179.117   84.870   1.0261   86.223   1.0702 -1.352814 1.482596 
1 1 1   14   16    2 o  127.508   0.9527 15788.99  235.323 15810.95  322.741 15764.06  343.855  127.605   1.3029  127.412   1.3903 0.1932068 1.905389 
1 1 1   14   16    3 o   78.680   0.7073  6013.07  107.978  6170.87  151.860  5851.71  153.562   79.725   0.9813   77.635   1.0190 2.089920 1.414621 
1 1 1   14   16    4 o  148.774   1.0433 21492.62  301.262 21114.73  422.287 21884.28  429.913  147.442   1.4754  150.105   1.4754 -2.662796 2.086582 
1 1 1   14   16    5 o   27.749   0.7865  748.529   42.316  720.641   60.511  775.221   59.198   27.242   1.1443   28.255   1.0793 -1.013561 1.572988 
1 1 1   14   16    6 o  159.309   1.1304 24659.21  349.549 24961.52  494.867 24358.18  493.807  160.284   1.5905  158.333   1.6066 1.950623 2.260748 
1 1 1   14   16    7 o  135.306   1.0070 17781.72  264.371 17885.81  380.265 17684.34  367.802  135.688   1.4437  134.925   1.4043 0.7631073 2.014034 
1 1 1   14   16    8 o   83.841   0.7544  6826.87  122.776  6876.70  172.937  6776.23  174.334   84.150   1.0587   83.533   1.0751 0.6176529 1.508879 
1 1 1   14   16    9 o   63.706   0.6610  3934.16   81.663  3800.61  112.401  4083.46  118.846   62.563   0.9255   64.849   0.9441 -2.285698 1.322088 
1 1 1   14   16   10 o  129.589   1.2667 16323.87  306.077 16351.83  509.566 16308.09  382.834  129.642   2.0248  129.536   1.5225 0.1062927 2.533360 
1 1 1   14   16   11 o   65.325   0.6876  4145.31   87.160  4275.83  123.275  4014.84  123.251   66.355   0.9571   64.296   0.9875 2.058136 1.375183 
1 1 1   14   16   12 o  101.343   0.8648  9977.16  170.125  9881.66  239.057 10075.14  242.160  100.852   1.2211  101.834   1.2250 -0.9822159 1.729670 
1 1 1   14   16   13 o   80.477   0.9199  6264.76  135.024  6209.85  164.468  6378.27  236.488   79.955   1.0597   80.999   1.5041 -1.043602 1.839858 
1 1 1   14   16   14 o   56.555   0.7285  3104.34   79.867  3055.95  109.803  3158.70  116.383   56.089   1.0085   57.022   1.0514 -0.9331131 1.456908 
1 1 1   14   16   15 o   16.155   1.7349  266.290   51.009  186.077   72.940  343.069   71.362   13.543   2.8640   18.767   1.9588 -5.224405 3.469845 
1 1 1   14   16   16 o   79.357   0.8089  6120.75  124.595  6052.32  175.410  6190.42  177.009   78.909   1.1452   79.804   1.1426 -0.8954544 1.617707 
1 1 1   14   16   17 o   31.390   1.0102  957.293   61.507  926.363   84.919  991.427   89.209   30.858   1.4177   31.922   1.4396 -1.064089 2.020493 
1 1 1   14   16   18 o   69.017   0.7928  4631.12  106.205  4647.85  151.401  4614.90  149.022   69.139   1.1281   68.895   1.1143 0.2440338 1.585630 
1 1 1   14   16   19 o   68.683   0.8012  4583.65  106.687  4710.21  155.603  4471.39  146.559   69.573   1.1522   67.792   1.1137 1.780975 1.602431 
1 1 1   14   16   20 f   52.028   0.8012  2636.40   80.556  2625.97  119.570  2645.07  109.008   51.926   1.1862   52.130   1.0772 -0.2041016 1.602367 
1 1 1   14   16   21 o   68.371   0.7983  4554.33  105.924  4597.00  151.611  4513.64  148.049   68.682   1.1372   68.060   1.1206 0.6216049 1.596519 
1 1 1   14   16   22 o   33.912   1.0044  1126.31   66.044  1067.55   93.561  1184.67   93.241   33.022   1.4596   34.802   1.3802 -1.780056 2.008809 
1 1 1   14   16   23 o   25.717   1.2796  661.463   62.886  536.801   89.806  781.398   88.087   23.262   1.9888   28.171   1.6108 -4.908533 2.559300 
1 1 1   14   16   24 o   56.031   0.8163  3073.02   88.666  3079.50  128.762  3067.18  122.275   56.075   1.1829   55.987   1.1251 0.8842087E-01 1.632507 
1 1 1   14   16   25 o   26.108   1.3271  680.538   67.164  730.301   96.073  632.970   93.931   27.060   1.8290   25.157   1.9235 1.903416 2.654234 
1 1 1   14   16   26 o   53.269   0.8593  2794.59   88.775  2789.91  128.170  2798.91  123.079   53.209   1.2409   53.328   1.1890 -0.1186295 1.718550 
1 1 1   14   16   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   17    0 o  160.334   1.1113 24972.98  344.481 25045.66  467.069 24886.28  510.112  160.594   1.4983  160.073   1.6417 0.5206299 2.222565 
1 1 1   14   17    1 o   36.883   0.6385  1322.90   45.554  1350.32   62.228  1291.24   66.868   37.296   0.8595   36.470   0.9445 0.8257332 1.277078 
1 1 1   14   17    2 o   24.588   0.8184  589.104   38.824  608.543   52.613  565.862   57.528   25.036   1.0826   24.141   1.2276 0.8950253 1.636801 
1 1 1   14   17    3 o  160.913   1.1193 25149.76  348.064 25137.62  470.560 25164.41  517.216  160.876   1.5068  160.950   1.6555 -0.7389832E-01 2.238526 
1 1 1   14   17    4 o  196.255   1.1961 37420.89  455.539 37416.75  637.047 37425.23  651.659  196.246   1.6723  196.263   1.7105 -0.1774597E-01 2.392112 
1 1 1   14   17    5 o   54.940   0.6013  2924.46   64.031  2828.51   87.668  3034.17   93.743   53.976   0.8367   55.903   0.8638 -1.927349 1.202628 
1 1 1   14   17    6 o  145.221   1.0211 20487.12  287.827 20501.48  404.500 20472.40  409.646  145.273   1.4344  145.168   1.4537 0.1047516 2.042227 
1 1 1   14   17    7 o   54.916   0.6387  2926.46   68.049  2880.86   94.386  2975.81   98.197   54.471   0.8926   55.361   0.9138 -0.8899002 1.277405 
1 1 1   14   17    8 o   85.065   0.7453  7028.81  123.030  7104.81  172.279  6949.71  175.755   85.535   1.0376   84.595   1.0703 0.9402084 1.490663 
1 1 1   14   17    9 o  111.871   1.0401 12139.22  220.146 12255.50  354.185 12066.01  281.025  112.293   1.6248  111.449   1.2990 0.8443146 2.080255 
1 1 1   14   17   10 o   16.622   1.3970  269.813   44.801  279.377   60.754  258.414   66.328   16.948   1.8466   16.295   2.0969 0.6530876 2.794086 
1 1 1   14   17   11 o  103.786   0.9122 10465.73  183.769 10524.64  259.627 10406.57  260.152  104.079   1.2851  103.493   1.2950 0.5862808 1.824354 
1 1 1   14   17   12 o   69.707   0.9868  4729.33  133.227  4841.54  183.626  4604.61  193.592   70.585   1.3402   68.829   1.4489 1.755875 1.973699 
1 1 1   14   17   13 o   73.870   0.7590  5301.28  108.783  5316.26  151.723  5285.42  156.052   73.978   1.0565   73.762   1.0899 0.2168503 1.517913 
1 1 1   14   17   14 o   85.388   0.8314  7085.01  137.794  7069.03  193.870  7101.32  195.887   85.291   1.1710   85.485   1.1805 -0.1937332 1.662715 
1 1 1   14   17   15 o   74.702   0.7734  5422.19  112.145  5408.12  158.129  5436.43  159.070   74.605   1.0919   74.800   1.0955 -0.1947556 1.546743 
1 1 1   14   17   16 o   68.325   0.7739  4536.19  102.614  4497.36  143.308  4577.05  146.998   68.026   1.0853   68.624   1.1035 -0.5984802 1.547735 
1 1 1   14   17   17 o   76.631   0.8126  5707.81  120.869  5634.12  169.517  5784.01  172.389   76.129   1.1471   77.134   1.1513 -1.005547 1.625229 
1 1 1   14   17   18 o   69.441   0.7973  4688.34  107.467  4742.56  153.314  4635.96  150.682   69.835   1.1309   69.047   1.1242 0.7884979 1.594652 
1 1 1   14   17   19 o   25.646   1.2463  642.648   62.005  637.094   89.139  647.855   86.306   25.536   1.7983   25.757   1.7261 -0.2214184 2.492650 
1 1 1   14   17   20 o   32.795   1.0220  1052.53   64.869  981.532   93.033  1119.71   90.496   31.708   1.5115   33.883   1.3759 -2.175266 2.043931 
1 1 1   14   17   21 o   39.887   0.9019  1557.92   69.581  1452.05  100.359  1655.91   96.555   38.567   1.3405   41.208   1.2071 -2.640984 1.803896 
1 1 1   14   17   22 o   44.067   0.8415  1895.78   71.968  1922.87  103.193  1870.14  100.420   44.371   1.1981   43.762   1.1821 0.6090240 1.683074 
1 1 1   14   17   23 o   45.949   0.8634  2068.22   76.847  2049.34  112.057  2084.98  105.589   45.737   1.2621   46.161   1.1784 -0.4234085 1.726707 
1 1 1   14   17   24 o   24.403   1.3673  587.331   64.264  633.312   98.476  553.225   84.813   25.203   2.0129   23.604   1.8510 1.599009 2.734575 
1 1 1   14   17   25 o   9.9769   2.5066   82.299   65.973  163.474   96.824   11.954   90.134   12.154   3.7390   7.7993   3.3396 4.355162 5.013278 
1 1 1   14   17   26 o   13.514   2.4720  210.955   66.606  159.031   99.978  252.391   89.312   11.868   3.8200   15.159   3.1385 -3.290126 4.943985 
1 1 1   14   18    0 o   64.109   0.7459  3950.29   87.792  3870.10  107.350  4112.22  152.551   63.139   0.8759   65.078   1.2076 -1.939106 1.491767 
1 1 1   14   18    1 o  103.359   0.8465 10372.28  169.608 10358.53  233.840 10387.55  246.374  103.288   1.1663  103.430   1.2271 -0.1424561 1.692930 
1 1 1   14   18    2 o   45.619   0.5994  2018.08   53.030  1971.98   73.102  2069.28   77.045   45.070   0.8356   46.168   0.8597 -1.098175 1.198836 
1 1 1   14   18    3 o   51.388   0.6098  2563.51   60.823  2584.93   86.586  2542.65   85.459   51.600   0.8644   51.176   0.8602 0.4236908 1.219530 
1 1 1   14   18    4 o   48.386   0.6172  2272.89   57.956  2269.64   81.018  2276.30   82.939   48.350   0.8632   48.421   0.8824 -0.7050705E-01 1.234404 
1 1 1   14   18    5 o  152.322   1.1926 22520.32  351.946 22944.88  516.209 22151.56  481.097  153.658   1.7306  150.987   1.6414 2.670258 2.385259 
1 1 1   14   18    6 o   63.887   0.6500  3963.55   80.583  3992.00  112.881  3933.98  115.075   64.121   0.9069   63.653   0.9313 0.4683609 1.299922 
1 1 1   14   18    7 o  122.109   0.9277 14484.98  219.882 14572.02  309.426 14396.19  312.517  122.481   1.3014  121.738   1.3225 0.7428055 1.855435 
1 1 1   14   18    8 f   68.302   0.7788  4531.60  100.015  4526.68  163.150  4534.55  126.591   68.267   1.2311   68.337   0.9543 -0.6945801E-01 1.557693 
1 1 1   14   18    9 o   38.363   0.6889  1428.66   51.287  1407.71   71.557  1450.80   73.545   38.074   0.9682   38.652   0.9802 -0.5780602 1.377751 
1 1 1   14   18   10 o  101.363   0.8933  9981.45  175.733  9955.19  245.815 10008.91  251.325  101.228   1.2510  101.499   1.2756 -0.2708435 1.786624 
1 1 1   14   18   11 o   77.830   0.9082  5803.58  128.717  5655.22  155.949  6120.65  227.989   76.305   1.0528   79.356   1.4800 -3.050552 1.816309 
1 1 1   14   18   12 o   39.576   0.8508  1514.82   62.630  1497.86   77.892  1545.84  105.338   39.270   1.0218   39.883   1.3606 -0.6129036 1.701574 
1 1 1   14   18   13 o  136.876   1.1291 18217.47  299.954 18097.42  420.206 18342.19  428.308  136.418   1.5868  137.334   1.6066 -0.9161072 2.258139 
1 1 1   14   18   14 o   48.540   0.7189  2291.53   67.661  2364.00   94.480  2215.23   96.942   49.330   0.9867   47.750   1.0459 1.580040 1.437809 
1 1 1   14   18   15 o   31.978   0.9089  991.917   56.255  1102.90   81.494  890.898   77.751   33.684   1.2463   30.271   1.3232 3.412828 1.817712 
1 1 1   14   18   16 o   42.160   0.8065  1728.08   65.758  1732.58   89.299  1722.75   97.193   42.222   1.0895   42.097   1.1894 0.1253014 1.612969 
1 1 1   14   18   17 f   30.324   1.0699  891.503   62.791  800.303   86.085  995.185   91.787   28.672   1.5467   31.977   1.4787 -3.305050 2.139835 
1 1 1   14   18   18 o   28.936   1.1337  815.859   63.668  837.659   90.594  794.584   89.496   29.318   1.5918   28.553   1.6147 0.7654343 2.267405 
1 1 1   14   18   19 o   11.702   2.4364  138.142   59.541  115.086   84.018  161.402   84.390   10.871   3.5022   12.532   3.3879 -1.661571 4.872700 
1 1 1   14   18   20 o   47.061   0.8295  2156.67   75.755  2199.85  108.654  2115.82  105.676   47.519   1.1779   46.604   1.1681 0.9150200 1.658923 
1 1 1   14   18   21 o   52.590   0.7854  2694.75   80.138  2717.50  115.334  2673.51  111.430   52.801   1.1253   52.378   1.0959 0.4233665 1.570761 
1 1 1   14   18   22 o   19.499   1.5725  391.317   57.067  313.859   88.494  446.459   74.666   17.711   2.5739   21.286   1.8070 -3.574764 3.144901 
1 1 1   14   18   23 o   27.352   1.2363  737.263   65.527  782.963   96.188  697.689   89.509   28.137   1.7611   26.567   1.7356 1.569260 2.472621 
1 1 1   14   18   24 o   46.519   0.8579  2123.48   77.186  2105.70  113.833  2138.61  105.014   46.318   1.2661   46.721   1.1579 -0.4031601 1.715712 
1 1 1   14   18   25 o   26.937   1.2825  725.843   66.915  694.768   96.385  754.756   92.971   26.349   1.8844   27.524   1.7401 -1.175074 2.564921 
1 1 1   14   18   26 o   27.260   1.3194  747.464   69.695  756.197  101.848  739.773   95.578   27.383   1.9161   27.137   1.8144 0.2462921 2.638819 
1 1 1   14   19    0 f  114.519   0.9013 12714.64  199.906 12451.34  272.474 13021.59  294.195  113.238   1.2396  115.799   1.3088 -2.561012 1.802606 
1 1 1   14   19    1 o   49.398   0.5915  2367.63   56.648  2345.43   77.964  2392.44   82.449   49.153   0.8171   49.642   0.8556 -0.4896393 1.183093 
1 1 1   14   19    2 o   66.246   0.6432  4250.72   82.475  4137.61  111.844  4385.54  122.104   65.283   0.8826   67.209   0.9359 -1.926353 1.286413 
1 1 1   14   19    3 o  188.380   1.1846 34478.97  433.101 34432.09  606.068 34527.89  619.136  188.251   1.6585  188.509   1.6920 -0.2576904 2.369255 
1 1 1   14   19    4 o  154.874   1.0621 23301.03  319.287 23221.49  449.028 23382.37  454.095  154.607   1.4962  155.140   1.5078 -0.5335083 2.124172 
1 1 1   14   19    5 f   45.874   0.6082  2043.51   54.137  2057.69   75.731  2028.69   77.421   46.037   0.8474   45.711   0.8725 0.3259850 1.216314 
1 1 1   14   19    6 o  141.118   1.0290 19347.45  281.579 19354.84  389.322 19339.33  407.743  141.149   1.4209  141.087   1.4888 0.6283569E-01 2.058029 
1 1 1   14   19    7 o   64.040   0.7694  3976.46   92.500  4007.67  151.776  3958.03  116.671   64.235   1.2172   63.845   0.9414 0.3897324 1.538776 
1 1 1   14   19    8 o   36.293   0.7096  1280.96   49.920  1331.80   69.707  1227.43   71.523   37.034   0.9696   35.552   1.0364 1.481979 1.419262 
1 1 1   14   19    9 o   42.046   0.6580  1720.68   53.388  1755.52   72.110  1678.42   79.421   42.519   0.8737   41.573   0.9841 0.9466743 1.315994 
1 1 1   14   19   10 o   22.837   1.3326  531.466   53.000  567.036   63.620  450.791   95.812   24.157   1.3567   21.516   2.2940 2.640669 2.665146 
1 1 1   14   19   11 f   72.033   0.7318  5040.44  102.309  5076.33  143.434  5003.27  145.972   72.295   1.0221   71.772   1.0477 0.5233612 1.463681 
1 1 1   14   19   12 o  117.343   0.9502 13380.43  216.431 13273.63  304.025 13490.17  308.176  116.869   1.3401  117.817   1.3475 -0.9485779 1.900438 
1 1 1   14   19   13 o  102.278   0.8831 10166.08  175.331 10203.23  247.083 10128.41  248.838  102.467   1.2422  102.089   1.2557 0.3777237 1.766283 
1 1 1   14   19   14 o  114.932   1.0345 12838.86  230.724 12538.55  321.364 13158.32  331.456  113.547   1.4580  116.317   1.4680 -2.770828 2.068983 
1 1 1   14   19   15 o   20.433   1.3557  406.839   53.718  406.022   77.706  407.587   74.344   20.412   1.9611   20.455   1.8724 -0.4294777E-01 2.711419 
1 1 1   14   19   16 o   30.343   1.0444  899.503   61.247  977.914   85.604  817.272   87.665   31.707   1.3908   28.978   1.5584 2.729071 2.088798 
1 1 1   14   19   17 o   46.404   0.8179  2093.44   73.637  2182.81  104.806  2006.32  103.482   47.383   1.1395   45.425   1.1736 1.958237 1.635737 
1 1 1   14   19   18 o   34.818   0.9694  1181.57   65.446  1243.30   92.345  1119.28   92.766   35.736   1.3312   33.900   1.4097 1.835461 1.938893 
1 1 1   14   19   19 o   23.521   1.3567  540.647   61.650  615.885   89.107  471.563   85.384   25.097   1.8290   21.944   2.0044 3.152802 2.713494 
1 1 1   14   19   20 o   26.464   1.2480  686.092   64.071  678.094   92.013  693.619   89.269   26.310   1.8016   26.619   1.7276 -0.3093586 2.496087 
1 1 1   14   19   21 o   26.119   1.2270  669.284   62.187  689.851   88.007  648.772   87.886   26.523   1.7093   25.714   1.7607 0.8098469 2.453954 
1 1 1   14   19   22 o   17.535   1.6715  308.280   56.550  285.286   82.466  328.690   77.695   16.883   2.5163   18.186   2.2008 -1.303705 3.342968 
1 1 1   14   19   23 o   45.499   0.8585  2029.73   75.676  1992.10  109.889  2063.67  104.369   45.083   1.2557   45.915   1.1710 -0.8318634 1.716950 
1 1 1   14   19   24 o   33.743   1.0783  1137.50   69.727  969.241  101.184  1289.66   96.221   31.283   1.6663   36.203   1.3692 -4.920238 2.156637 
1 1 1   14   19   25 o   31.643   1.0749  987.863   65.523  1024.76   99.723  959.832   86.917   32.126   1.5991   31.159   1.4370 0.9669628 2.149900 
1 1 1   14   19   26 f   17.722   1.9635  330.848   67.540  337.154   96.044  324.677   94.997   17.895   2.7649   17.549   2.7887 0.3460846 3.927034 
1 1 1   14   20    0 o   88.374   0.7678  7581.25  131.597  7540.33  181.962  7626.11  190.547   88.124   1.0637   88.623   1.1076 -0.4984436 1.535666 
1 1 1   14   20    1 o  117.616   0.9250 13433.79  210.824 13417.65  289.701 13451.96  307.384  117.543   1.2697  117.689   1.3455 -0.1460953 1.849963 
1 1 1   14   20    2 o  135.417   0.9957 17811.33  261.737 17765.80  368.383 17857.74  371.945  135.242   1.4032  135.591   1.4131 -0.3487854 1.991464 
1 1 1   14   20    3 o  116.946   0.8957 13283.43  203.327 13344.20  286.208 13221.51  288.907  117.217   1.2578  116.676   1.2756 0.5411682 1.791457 
1 1 1   14   20    4 o   18.010   1.1254  312.930   39.186  278.064   53.116  354.569   58.046   16.917   1.6175   19.103   1.5653 -2.186634 2.250891 
1 1 1   14   20    5 o   49.150   0.7193  2347.58   65.822  2352.35   82.222  2339.07  109.837   49.222   0.8605   49.077   1.1529 0.1454506 1.438659 
1 1 1   14   20    6 o   54.096   0.6365  2840.31   66.777  3014.06   95.473  2673.91   93.433   55.716   0.8827   52.477   0.9172 3.238747 1.272994 
1 1 1   14   20    7 o   59.146   0.6497  3396.07   74.558  3377.52  103.634  3415.98  107.345   58.979   0.9052   59.313   0.9323 -0.3341141 1.299468 
1 1 1   14   20    8 o   61.469   0.6535  3669.39   77.964  3693.73  109.630  3644.49  110.896   61.676   0.9157   61.263   0.9325 0.4130020 1.306928 
1 1 1   14   20    9 o   57.484   0.7856  3234.28   82.964  3287.85  102.449  3132.24  141.411   58.188   0.9070   56.780   1.2830 1.407879 1.571224 
1 1 1   14   20   10 o   32.719   0.7747  1036.82   49.091  998.611   66.729  1081.90   72.476   32.064   1.0721   33.374   1.1187 -1.309319 1.549485 
1 1 1   14   20   11 o   51.361   0.6717  2562.74   66.867  2576.77   92.175  2547.15   97.150   51.511   0.9218   51.212   0.9773 0.2987328 1.343429 
1 1 1   14   20   12 o   59.758   0.8451  3517.44   92.961  3627.28  115.508  3315.48  156.618   61.111   0.9737   58.405   1.3814 2.706360 1.690100 
1 1 1   14   20   13 o   49.720   0.7350  2401.20   70.857  2394.83   97.762  2408.26  102.843   49.651   1.0143   49.788   1.0641 -0.1368599 1.470091 
1 1 1   14   20   14 o   45.967   0.7449  2046.71   66.266  2129.68   98.325  1977.65   89.696   46.817   1.0819   45.118   1.0241 1.699471 1.489769 
1 1 1   14   20   15 o   71.494   0.7707  4967.04  106.956  5028.76  152.270  4906.93  150.268   71.932   1.0905   71.056   1.0894 0.8766022 1.541449 
1 1 1   14   20   16 o   65.984   0.7705  4231.50   98.683  4209.02  138.732  4254.53  140.402   65.807   1.0860   66.162   1.0932 -0.3542099 1.540952 
1 1 1   14   20   17 f   25.645   1.2315  640.833   61.285  635.110   85.426  646.902   87.970   25.528   1.7239   25.762   1.7591 -0.2337246 2.462957 
1 1 1   14   20   18 o   27.773   1.1345  751.412   61.129  779.890   88.251  725.146   84.753   28.278   1.6077   27.268   1.6012 1.009989 2.269040 
1 1 1   14   20   19 o   45.421   0.8397  2002.40   73.913  2155.37  108.031  1867.78  101.346   47.047   1.1829   43.795   1.1921 3.252235 1.679406 
1 1 1   14   20   20 o   41.422   0.8647  1671.85   69.503  1621.10   97.030  1725.33   99.606   40.776   1.2258   42.067   1.2198 -1.291393 1.729311 
1 1 1   14   20   21 o   31.818   1.0586  990.770   65.363  995.291   93.774  986.498   91.156   31.886   1.5150   31.751   1.4790 0.1347866 2.117244 
1 1 1   14   20   22 o   12.925   2.1725  183.106   59.849   65.374   90.338  275.204   79.900   9.2744   3.5656   16.576   2.4831 -7.301564 4.345031 
1 1 1   14   20   23 o   9.1934   2.3791   66.385   55.902  113.569   87.551   33.907   72.637   10.609   3.5819   7.7780   3.1321 2.830767 4.758172 
1 1 1   14   20   24 o   10.990   2.4174  124.879   62.467   47.452   91.500  192.464   85.488   8.6994   3.5111   13.281   3.3238 -4.581769 4.834835 
1 1 1   14   20   25 o   28.339   1.2351  787.342   67.245  904.340  104.690  705.166   87.738   30.079   1.7930   26.600   1.6992 3.478691 2.470241 
1 1 1   14   20   26 o   13.679   3.0516  228.615   93.073  171.118  136.041  279.208  127.613   12.172   4.4359   15.185   4.1917 -3.013393 6.103116 
1 1 1   14   21    0 o  201.873   1.2678 39547.45  493.298 39161.63  657.973 40042.67  745.445  200.764   1.6883  202.983   1.8919 -2.218658 2.535672 
1 1 1   14   21    1 o   41.824   0.5908  1697.45   47.881  1684.95   65.678  1711.63   69.952   41.660   0.8121   41.988   0.8582 -0.3279953 1.181591 
1 1 1   14   21    2 o  109.946   0.8701 11739.54  185.684 11719.63  260.462 11760.11  264.784  109.852   1.2214  110.040   1.2396 -0.1885529 1.740248 
1 1 1   14   21    3 o   80.267   0.7153  6254.81  111.415  6213.46  155.395  6298.55  159.830   79.994   1.0007   80.539   1.0223 -0.5450974 1.430586 
1 1 1   14   21    4 o  165.721   1.1110 26677.40  357.322 26367.90  499.190 27002.61  511.703  164.737   1.5610  166.706   1.5813 -1.968628 2.221974 
1 1 1   14   21    5 f  152.385   1.1343 22564.09  335.511 22481.92  471.179 22648.61  477.860  152.105   1.5958  152.665   1.6125 -0.5609741 2.268629 
1 1 1   14   21    6 o   95.699   0.8203  8895.01  152.296  8902.51  212.018  8887.02  218.907   95.741   1.1408   95.656   1.1789 0.8536530E-01 1.640503 
1 1 1   14   21    7 o   72.279   0.6957  5071.61   97.557  5031.94  135.404  5114.44  140.681   71.986   0.9690   72.573   0.9986 -0.5866013 1.391461 
1 1 1   14   21    8 o   68.739   0.8331  4590.56  105.031  4592.13  128.927  4587.44  181.106   68.765   0.9658   68.712   1.3578 0.5354309E-01 1.666276 
1 1 1   14   21    9 o   54.312   0.6559  2862.64   69.126  2784.81   96.308  2945.34   99.277   53.551   0.9265   55.073   0.9286 -1.521778 1.311767 
1 1 1   14   21   10 o   64.275   0.6769  4007.85   84.249  3953.56  114.858  4071.09  123.952   63.805   0.9273   64.744   0.9863 -0.9390564 1.353757 
1 1 1   14   21   11 o   24.954   1.0387  604.377   50.234  590.318   68.801  620.430   73.517   24.644   1.4382   25.263   1.4991 -0.6191406 2.077447 
1 1 1   14   21   12 o   70.588   0.7328  4839.99  100.410  4889.41  142.352  4791.06  141.654   70.947   1.0336   70.229   1.0391 0.7174225 1.465627 
1 1 1   14   21   13 o   10.942   2.1522  117.739   51.510  182.505   71.557   48.089   74.207   13.414   2.8367   8.4690   3.2374 4.945110 4.304362 
1 1 1   14   21   14 o   30.813   0.9177  923.275   54.851  913.700   78.830  932.262   76.370   30.657   1.3246   30.969   1.2704 -0.3118763 1.835360 
1 1 1   14   21   15 f   51.103   0.7541  2538.59   74.775  2566.08  104.635  2509.89  106.897   51.386   1.0490   50.819   1.0836 0.5678825 1.508168 
1 1 1   14   21   16 o   30.855   1.0128  926.785   60.629  953.477   85.347  899.594   86.142   31.305   1.4045   30.405   1.4595 0.9003506 2.025519 
1 1 1   14   21   17 o   46.185   0.8178  2073.51   73.306  2124.65  104.908  2024.72  102.475   46.741   1.1562   45.628   1.1570 1.112537 1.635676 
1 1 1   14   21   18 o   25.152   1.2129  613.103   58.953  700.218   87.362  540.263   79.884   26.783   1.6803   23.520   1.7496 3.262806 2.425855 
1 1 1   14   21   19 o   36.499   0.9384  1303.07   66.256  1209.19   95.209  1391.23   92.262   35.211   1.3929   37.786   1.2578 -2.574329 1.876818 
1 1 1   14   21   20 o   50.198   0.8074  2449.80   78.497  2540.96  115.679  2372.01  106.866   51.056   1.1672   49.339   1.1158 1.717468 1.614719 
1 1 1   14   21   21 o   38.227   0.9376  1426.92   69.537  1473.77  100.471  1383.84   96.340   38.827   1.3330   37.627   1.3190 1.200314 1.875300 
1 1 1   14   21   22 o   32.103   1.0572  1012.30   65.790  1018.10   95.744  1007.12   90.555   32.180   1.5327   32.026   1.4566 0.1542168 2.114449 
1 1 1   14   21   23 o   21.323   1.4912  452.163   60.699  462.724   95.284  444.949   78.745   21.481   2.2851   21.166   1.9166 0.3156300 2.982420 
1 1 1   14   21   24 o   11.015   2.5034  127.195   61.016  156.831   90.543  102.541   82.584   11.964   3.6027   10.066   3.4770 1.898159 5.006855 
1 1 1   14   21   25 o   20.395   1.6895  433.662   65.406  350.116   95.380  507.821   89.862   18.371   2.6746   22.418   2.0649 -4.047464 3.378949 
1 1 1   14   21   26 o   14.534   2.8231  266.392   86.976  161.513  138.233  335.121  111.902   11.905   4.4478   17.163   3.4780 -5.258093 5.646132 
1 1 1   14   22    0 o  111.307   0.8934 12021.94  192.761 11843.21  264.796 12223.44  281.150  110.429   1.2353  112.185   1.2910 -1.755501 1.786804 
1 1 1   14   22    1 o   34.803   0.6316  1177.65   42.544  1199.85   58.297  1152.35   62.226   35.154   0.8543   34.451   0.9305 0.7037926 1.263174 
1 1 1   14   22    2 o   46.876   0.5925  2133.00   53.904  2115.09   75.327  2151.80   77.170   46.675   0.8314   47.078   0.8444 -0.4030952 1.185016 
1 1 1   14   22    3 o  144.856   1.0206 20376.24  286.912 20039.60  400.138 20732.48  411.616  143.626   1.4352  146.087   1.4515 -2.460403 2.041233 
1 1 1   14   22    4 f   59.890   0.7771  3518.11   84.277  3582.22  102.674  3385.71  147.546   60.741   0.8708   59.040   1.2874 1.701633 1.554258 
1 1 1   14   22    5 o  116.141   0.9159 13103.20  206.472 13325.55  292.301 12881.79  291.690  117.125   1.2856  115.157   1.3049 1.968132 1.831808 
1 1 1   14   22    6 o   82.398   0.7385  6593.38  118.054  6597.09  164.308  6589.42  169.731   82.423   1.0269   82.373   1.0615 0.4937744E-01 1.476937 
1 1 1   14   22    7 o  115.889   0.9406 13042.79  211.516 12864.74  294.450 13232.62  304.037  115.073   1.3182  116.705   1.3421 -1.631699 1.881146 
1 1 1   14   22    8 o   27.480   0.8361  732.652   44.468  657.611   61.727  813.614   64.116   26.018   1.2222   28.941   1.1413 -2.923666 1.672199 
1 1 1   14   22    9 o  117.058   0.9858 13308.58  223.937 13689.39  320.909 12947.13  312.643  118.689   1.3929  115.426   1.3953 3.262848 1.971546 
1 1 1   14   22   10 o   47.829   0.6802  2222.44   63.130  2256.27   88.451  2187.32   90.130   48.200   0.9453   47.457   0.9784 0.7431259 1.360471 
1 1 1   14   22   11 o   49.334   0.6947  2362.88   66.510  2323.73   92.719  2404.37   95.458   48.913   0.9765   49.754   0.9884 -0.8411407 1.389410 
1 1 1   14   22   12 o   14.978   1.6977  228.384   46.711  169.675   67.619  281.970   64.602   12.937   2.7756   17.018   1.9555 -4.080894 3.395331 
1 1 1   14   22   13 o   32.166   0.9007  1004.18   56.193  963.950   77.626  1048.47   81.451   31.491   1.2699   32.842   1.2776 -1.351332 1.801349 
1 1 1   14   22   14 o   33.721   0.8866  1100.41   57.894  1182.82   85.523  1030.71   78.656   34.881   1.2631   32.562   1.2444 2.319149 1.773114 
1 1 1   14   22   15 o   30.286   1.0416  892.514   61.187  940.657   87.028  845.454   86.043   31.095   1.4418   29.477   1.5037 1.618528 2.083252 
1 1 1   14   22   16 o   62.538   0.7664  3801.52   93.031  3811.49  132.433  3791.81  130.715   62.618   1.0895   62.457   1.0781 0.1608963 1.532784 
1 1 1   14   22   17 o   24.138   1.2761  575.206   59.042  485.132   85.219  658.356   81.877   22.287   1.9698   25.989   1.6230 -3.701893 2.552255 
1 1 1   14   22   18 o   37.801   0.8818  1389.87   64.373  1406.65   96.278  1376.31   86.569   38.001   1.3052   37.600   1.1861 0.4002686 1.763578 
1 1 1   14   22   19 o   67.965   0.7758  4498.73  102.296  4465.79  146.874  4529.76  142.559   67.719   1.1173   68.210   1.0767 -0.4913864 1.551633 
1 1 1   14   22   20 o   19.568   1.5620  372.341   58.905  425.906   90.017  332.227   77.900   20.778   2.2318   18.357   2.1861 2.420805 3.124055 
1 1 1   14   22   21 o   46.481   0.8574  2115.21   77.170  2023.03  111.477  2200.03  106.933   45.494   1.2623   47.468   1.1605 -1.974304 1.714703 
1 1 1   14   22   22 o   21.517   1.5643  467.874   64.452  413.755   95.459  513.214   87.375   20.300   2.4225   22.735   1.9799 -2.434771 3.128623 
1 1 1   14   22   23 f   14.602   2.1984  217.618   61.765  305.507   94.765  152.706   81.441   17.288   2.8238   11.916   3.3702 5.372021 4.396825 
1 1 1   14   22   24 o   12.867   2.3436  190.613   59.662  132.054   97.893  225.218   75.253   11.161   3.7875   14.573   2.7612 -3.412467 4.687127 
1 1 1   14   22   25 o   14.716   2.3497  242.204   65.572  218.400   95.469  263.462   90.220   13.903   3.5308   15.530   3.1013 -1.626911 4.699436 
1 1 1   14   22   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23    0 o   70.678   0.6599  4841.10   90.365  4710.31  123.409  4992.29  132.685   69.652   0.9127   71.705   0.9533 -2.053391 1.319769 
1 1 1   14   23    1 o   92.025   0.7763  8223.04  138.660  8187.03  194.076  8260.58  198.177   91.820   1.0889   92.230   1.1069 -0.4107742 1.552695 
1 1 1   14   23    2 o   55.322   0.6023  2970.37   64.653  2935.13   90.024  3007.89   92.911   54.983   0.8435   55.660   0.8599 -0.6770020 1.204529 
1 1 1   14   23    3 o   48.382   0.6157  2272.23   57.705  2264.36   79.064  2281.20   84.411   48.293   0.8434   48.471   0.8971 -0.1781845 1.231316 
1 1 1   14   23    4 o   89.316   0.7658  7747.87  132.757  7870.03  187.604  7625.34  187.891   90.022   1.0736   88.611   1.0923 1.411407 1.531575 
1 1 1   14   23    5 o  155.719   1.1068 23564.88  334.472 23496.96  478.135 23629.96  468.056  155.497   1.5840  155.941   1.5462 -0.4440002 2.213587 
1 1 1   14   23    6 o   30.782   0.8682  919.486   51.095  925.441   79.579  915.309   66.648   30.864   1.3282   30.699   1.1184 0.1653175 1.736379 
1 1 1   14   23    7 o   23.040   0.9881  517.596   43.876  443.489   61.664  593.592   62.445   21.362   1.4871   24.718   1.3014 -3.355862 1.976130 
1 1 1   14   23    8 o   60.255   0.6520  3525.59   76.264  3495.51  107.475  3556.09  108.237   59.996   0.9228   60.514   0.9214 -0.5176888 1.304075 
1 1 1   14   23    9 o   46.587   0.6552  2107.69   59.226  2105.97   85.092  2109.31   82.487   46.568   0.9413   46.605   0.9118 -0.3771591E-01 1.310492 
1 1 1   14   23   10 o   18.472   1.3480  332.909   48.058  377.070   68.392  289.836   67.545   19.688   1.7895   17.256   2.0164 2.432198 2.695966 
1 1 1   14   23   11 o   17.079   1.4453  284.212   47.763  286.523   65.139  281.524   70.242   17.157   1.9559   17.002   2.1283 0.1548252 2.890520 
1 1 1   14   23   12 o   42.630   0.7251  1757.35   59.843  1878.64   88.656  1655.83   81.109   43.975   1.0386   41.285   1.0121 2.689114 1.450146 
1 1 1   14   23   13 o   51.057   0.7474  2529.34   74.016  2613.09  107.432  2453.68  102.118   51.860   1.0672   50.254   1.0468 1.605717 1.494877 
1 1 1   14   23   14 o   20.418   1.3711  407.904   53.908  393.068   80.724  419.846   72.423   20.076   2.0714   20.761   1.7971 -0.6848297 2.742291 
1 1 1   14   23   15 o   35.437   0.9277  1223.30   63.618  1109.52   89.731  1338.30   90.210   33.774   1.3687   37.099   1.2526 -3.325348 1.855338 
1 1 1   14   23   16 o   42.738   0.8344  1773.40   69.148  1895.80   99.777  1660.29   95.919   44.155   1.1641   41.320   1.1959 2.835709 1.668877 
1 1 1   14   23   17 o   34.883   0.9145  1185.70   61.227  1176.79   93.714  1192.34   80.875   34.760   1.3888   35.005   1.1902 -0.2447739 1.829047 
1 1 1   14   23   18 o   44.546   0.8145  1931.43   70.086  1934.15  104.416  1929.20   94.550   44.568   1.2069   44.524   1.0940 0.4403687E-01 1.628939 
1 1 1   14   23   19 o   53.642   0.7734  2801.75   80.345  2811.58  117.778  2793.20  109.882   53.724   1.1294   53.560   1.0569 0.1637688 1.546749 
1 1 1   14   23   20 o   23.817   1.2711  569.560   56.968  495.692   88.813  621.196   74.256   22.437   2.0391   25.198   1.5181 -2.760653 2.542207 
1 1 1   14   23   21 o   21.666   1.4676  465.095   61.255  464.753   92.418  465.362   81.804   21.632   2.2009   21.701   1.9419 -0.6895638E-01 2.935138 
1 1 1   14   23   22 o   15.827   2.1070  263.110   62.204  268.807   91.677  258.250   84.678   15.954   3.0717   15.700   2.8847 0.2534733 4.213922 
1 1 1   14   23   23 o   23.036   1.4432  528.341   64.314  552.503   95.738  508.469   86.823   23.496   2.0991   22.577   1.9811 0.9184284 2.886316 
1 1 1   14   23   24 o   17.889   1.7944  318.822   61.433  394.587   96.744  267.629   79.524   19.619   2.5402   16.159   2.5352 3.459946 3.588861 
1 1 1   14   23   25 o   44.362   0.9262  1933.27   79.483  2079.74  118.637  1813.98  107.063   45.864   1.3325   42.860   1.2868 3.004009 1.852449 
1 1 1   14   24    0 o   53.615   0.5967  2791.71   62.088  2834.79   87.193  2747.39   88.433   54.035   0.8313   53.195   0.8564 0.8400497 1.193485 
1 1 1   14   24    1 o   21.032   0.9053  429.677   36.955  434.137   52.070  425.151   52.458   21.142   1.2688   20.922   1.2917 0.2202282 1.810567 
1 1 1   14   24    2 o   62.768   0.6336  3825.33   77.189  3819.68  108.376  3831.16  109.966   62.722   0.8901   62.815   0.9018 -0.9381104E-01 1.267135 
1 1 1   14   24    3 o   11.355   1.6749  133.305   36.347  176.600   49.796   83.934   53.175   13.477   1.9034   9.2339   2.7565 4.243234 3.349798 
1 1 1   14   24    4 f  101.573   0.8538 10022.39  168.302 10248.30  237.834  9795.79  238.195  102.720   1.1928  100.425   1.2219 2.295143 1.707521 
1 1 1   14   24    5 o  182.025   1.2188 32182.32  429.533 31873.50  585.491 32542.25  632.084  181.089   1.6656  182.961   1.7797 -1.871674 2.437526 
1 1 1   14   24    6 o   75.701   0.7011  5564.25  103.015  5698.30  146.695  5433.82  144.695   76.601   0.9865   74.801   0.9965 1.799225 1.402246 
1 1 1   14   24    7 o   86.589   0.7732  7280.37  129.941  7407.84  185.658  7157.97  181.928   87.331   1.0952   85.846   1.0917 1.485275 1.546368 
1 1 1   14   24    8 o   91.396   0.8226  8113.46  145.932  8054.45  204.542  8174.64  208.265   91.058   1.1572   91.734   1.1696 -0.6760559 1.645272 
1 1 1   14   24    9 f   65.774   0.6921  4202.55   88.337  4088.63  125.015  4316.15  124.839   64.883   0.9926   66.665   0.9647 -1.781998 1.384147 
1 1 1   14   24   10 o   80.431   0.7548  6283.87  117.842  6299.02  167.498  6269.01  165.821   80.527   1.0715   80.335   1.0633 0.1915512 1.509591 
1 1 1   14   24   11 o   16.892   1.9124  264.082   60.264  331.616  104.223  230.162   73.864   18.422   2.9144   15.362   2.4770 3.060431 3.824789 
1 1 1   14   24   12 o   54.972   0.7102  2934.00   75.741  2984.69  109.373  2887.29  104.990   55.427   1.0165   54.517   0.9921 0.9106369 1.420417 
1 1 1   14   24   13 o  110.071   0.9879 11784.28  211.015 11648.17  301.473 11915.01  295.458  109.444   1.4190  110.697   1.3750 -1.252991 1.975899 
1 1 1   14   24   14 o   45.640   0.7764  2023.01   68.765  1959.55   95.798  2090.46   98.765   44.902   1.0991   46.378   1.0971 -1.475643 1.552897 
1 1 1   14   24   15 o   35.753   0.9067  1244.03   62.881  1274.24   87.975  1212.47   89.911   36.199   1.2520   35.307   1.3119 0.8916283 1.813406 
1 1 1   14   24   16 o   48.949   0.7659  2330.17   72.749  2260.93  103.027  2399.03  102.739   48.222   1.1006   49.676   1.0654 -1.453663 1.531839 
1 1 1   14   24   17 o   48.431   0.7541  2277.87   70.759  2340.38  103.866  2223.73   96.660   49.048   1.0909   47.815   1.0414 1.232933 1.508178 
1 1 1   14   24   18 o   67.352   0.7758  4414.67  101.397  4446.64  145.626  4384.59  141.267   67.587   1.1100   67.118   1.0843 0.4687119 1.551672 
1 1 1   14   24   19 o   23.640   1.2818  536.128   58.117  666.231   89.415  440.962   76.473   26.076   1.7665   21.204   1.8579 4.872288 2.563650 
1 1 1   14   24   20 o   38.060   0.8832  1416.79   64.717  1393.07   97.534  1435.44   86.504   37.760   1.3306   38.360   1.1617 -0.5999336 1.766373 
1 1 1   14   24   21 o   8.6279   2.3686   43.838   56.667   88.250   90.354   15.042   72.754   9.9367   3.6161   7.3191   3.0604 2.617610 4.737272 
1 1 1   14   24   22 o   20.583   1.5738  438.211   60.597  342.676   91.534  512.748   80.851   18.417   2.5603   22.748   1.8310 -4.330605 3.147614 
1 1 1   14   24   23 o   15.314   2.1912  253.265   63.499  201.033   93.329  298.284   86.645   13.528   3.5201   17.100   2.6103 -3.571309 4.382369 
1 1 1   14   24   24 o   47.143   0.8783  2192.52   80.015  2123.47  117.743  2251.78  109.070   46.417   1.3067   47.869   1.1738 -1.452065 1.756503 
1 1 1   14   24   25 o   18.677   1.9409  380.449   64.501  332.514  105.894  408.725   81.330   17.312   3.2709   20.042   2.0905 -2.729805 3.881871 
1 1 1   14   25    0 o  102.737   0.8317 10249.89  165.866 10375.02  235.980 10127.71  233.186  103.357   1.1762  102.118   1.1763 1.239304 1.663486 
1 1 1   14   25    1 o   98.156   0.8042  9355.66  153.216  9180.54  215.419  9534.94  217.964   97.226   1.1414   99.085   1.1332 -1.859299 1.608397 
1 1 1   14   25    2 o   42.734   0.6141  1776.86   50.825  1845.67   70.429  1702.09   73.419   43.600   0.8321   41.868   0.9033 1.731503 1.228213 
1 1 1   14   25    3 o  133.514   0.9808 17313.28  254.148 17062.12  355.520 17575.76  363.451  132.525   1.3820  134.503   1.3920 -1.979050 1.961532 
1 1 1   14   25    4 o   78.043   0.7246  5915.54  109.650  5933.60  151.698  5895.78  158.675   78.169   0.9997   77.917   1.0491 0.2515411 1.449151 
1 1 1   14   25    5 o   72.881   0.7084  5157.09  100.175  5121.50  139.237  5195.29  144.232   72.621   0.9877   73.141   1.0159 -0.5201340 1.416880 
1 1 1   14   25    6 o   92.201   0.8259  8257.29  147.807  8335.92  209.988  8180.08  208.086   92.636   1.1677   91.766   1.1681 0.8700485 1.651724 
1 1 1   14   25    7 o  142.070   1.1481 19622.35  316.611 19626.75  446.025 19617.88  449.506  142.087   1.6171  142.053   1.6301 0.3396606E-01 2.296150 
1 1 1   14   25    8 o   20.133   1.1653  392.573   45.402  438.199   66.316  352.318   62.290   21.230   1.6092   19.035   1.6858 2.195335 2.330506 
1 1 1   14   25    9 o  102.154   0.8666 10138.64  171.848 10087.31  242.018 10190.85  244.054  101.893   1.2236  102.414   1.2276 -0.5212402 1.733271 
1 1 1   14   25   10 o   81.876   0.7767  6511.94  123.435  6369.68  173.766  6656.85  175.373   80.973   1.1055   82.779   1.0914 -1.806122 1.553458 
1 1 1   14   25   11 o   78.807   0.7918  6032.71  121.106  6194.87  172.663  5875.68  169.910   79.849   1.1139   77.764   1.1256 2.085175 1.583602 
1 1 1   14   25   12 o   24.502   1.1551  586.589   54.700  534.198   78.407  636.267   76.349   23.428   1.7241   25.576   1.5379 -2.147615 2.310280 
1 1 1   14   25   13 o   29.201   1.0185  832.395   57.508  785.710   83.564  874.400   79.264   28.417   1.5149   29.985   1.3618 -1.568022 2.036969 
1 1 1   14   25   14 o   43.557   0.8270  1843.14   69.897  1923.24  100.085  1766.87   97.657   44.481   1.1591   42.633   1.1800 1.847782 1.654096 
1 1 1   14   25   15 o   39.734   0.8652  1536.08   66.682  1462.46   94.218  1609.96   94.387   38.778   1.2516   40.691   1.1950 -1.912170 1.730471 
1 1 1   14   25   16 o   72.369   0.7797  5088.81  109.424  5186.29  158.821  5000.72  150.975   73.026   1.1204   71.712   1.0846 1.313850 1.559331 
1 1 1   14   25   17 o   42.911   0.8125  1792.23   67.441  1790.80   99.612  1793.45   91.638   42.890   1.1964   42.932   1.0996 -0.4164886E-01 1.624983 
1 1 1   14   25   18 o   59.957   0.7806  3493.82   90.774  3687.32  131.480  3317.57  125.479   61.541   1.1006   58.372   1.1074 3.168083 1.561293 
1 1 1   14   25   19 o   54.161   0.7831  2859.10   82.306  2803.30  116.964  2913.83  115.841   53.634   1.1234   54.688   1.0912 -1.053352 1.566147 
1 1 1   14   25   20 o   34.713   0.9324  1175.54   62.750  1225.91   91.559  1130.94   86.171   35.411   1.3320   34.016   1.3050 1.394344 1.864734 
1 1 1   14   25   21 o   14.596   2.0717  228.636   56.473  176.023   86.567  267.616   74.511   12.833   3.4151   16.360   2.3463 -3.527119 4.143379 
1 1 1   14   25   22 o   20.647   1.5217  445.185   57.609  352.598   91.941  505.032   73.919   18.685   2.5349   22.609   1.6842 -3.924482 3.043370 
1 1 1   14   25   23 o   30.942   1.1443  938.802   68.222  1027.00  104.466  873.217   90.085   32.175   1.6726   29.710   1.5620 2.465483 2.288563 
1 1 1   14   25   24 o   18.685   1.8257  357.070   65.942  398.471   98.675  323.662   88.640   19.653   2.5865   17.716   2.5775 1.937023 3.651474 
1 1 1   14   25   25 o   13.660   2.4175  258.444   71.849   24.256  152.180  325.621   81.505   9.5756   4.2164   17.743   2.3664 -8.167881 4.835088 
1 1 1   14   26    0 o  143.608   1.0355 20037.47  288.659 20013.20  407.643 20061.89  408.811  143.520   1.4632  143.695   1.4656 -0.1742554 2.070971 
1 1 1   14   26    1 f  145.363   1.1644 20492.27  323.233 20777.79  506.293 20295.83  419.957  146.199   1.7840  144.526   1.4969 1.672226 2.328810 
1 1 1   14   26    2 o   99.062   0.8136  9529.44  156.416  9463.86  218.719  9598.08  223.778   98.714   1.1414   99.410   1.1596 -0.6965103 1.627139 
1 1 1   14   26    3 o  181.154   1.1874 31881.29  417.361 31383.38  580.278 32414.93  600.727  179.691   1.6636  182.616   1.6946 -2.924484 2.374709 
1 1 1   14   26    4 o   67.921   0.7857  4465.65   98.827  4431.00  122.352  4530.69  167.630   67.550   0.9331   68.292   1.2645 -0.7416992 1.571496 
1 1 1   14   26    5 o   94.724   0.8142  8715.88  149.708  8747.19  211.235  8684.29  212.206   94.895   1.1467   94.553   1.1562 0.3424530 1.628393 
1 1 1   14   26    6 o   16.938   1.2795  283.364   41.114  214.839   58.223  351.517   58.064   14.859   2.0185   19.016   1.5730 -4.157043 2.559031 
1 1 1   14   26    7 o  133.270   1.0283 17260.00  266.007 17454.86  378.429 17069.69  373.992  134.013   1.4547  132.527   1.4538 1.486740 2.056589 
1 1 1   14   26    8 o   80.382   0.7672  6277.04  119.686  6346.89  168.509  6205.94  170.025   80.834   1.0739   79.930   1.0958 0.9039001 1.534301 
1 1 1   14   26    9 o   56.616   0.6951  3110.36   76.298  3170.09  111.060  3056.97  105.000   57.129   1.0015   56.102   0.9641 1.027058 1.390139 
1 1 1   14   26   10 o   56.673   0.6903  3110.54   75.776  3253.07  111.732  2989.15  103.113   57.871   0.9946   55.475   0.9575 2.395618 1.380616 
1 1 1   14   26   11 o   63.803   0.7057  3951.84   87.351  3877.44  121.039  4032.71  126.187   63.177   0.9870   64.428   1.0090 -1.251244 1.411414 
1 1 1   14   26   12 o   78.858   0.7850  6042.65  120.163  6017.42  169.641  6068.05  170.232   78.693   1.1105   79.024   1.1097 -0.3304062 1.569960 
1 1 1   14   26   13 o  118.422   1.0703 13646.29  246.018 13672.04  349.536 13621.01  346.331  118.531   1.5191  118.312   1.5080 0.2191696 2.140505 
1 1 1   14   26   14 o   82.943   0.8384  6688.15  134.984  6667.19  190.499  6709.27  191.297   82.812   1.1850   83.073   1.1863 -0.2607880 1.676761 
1 1 1   14   26   15 f   30.633   1.0037  913.313   59.685  908.541   84.491  918.066   84.325   30.553   1.4246   30.714   1.4144 -0.1603355 2.007454 
1 1 1   14   26   16 o   36.158   0.8609  1265.04   60.208  1357.30   89.917  1190.06   81.063   37.344   1.2404   34.972   1.1941 2.372715 1.721747 
1 1 1   14   26   17 o   35.455   0.9173  1224.94   63.117  1195.87   89.499  1253.71   89.026   35.034   1.3160   35.875   1.2784 -0.8411026 1.834693 
1 1 1   14   26   18 o   51.542   0.7903  2587.09   79.037  2686.40  112.510  2490.35  111.056   52.521   1.1036   50.563   1.1315 1.957123 1.580521 
1 1 1   14   26   19 o   41.138   0.8746  1649.97   69.814  1690.72  100.392  1611.80   97.153   41.628   1.2424   40.647   1.2313 0.9813156 1.749151 
1 1 1   14   26   20 o   11.251   2.4464  130.832   59.140  109.248   86.260  149.977   81.239   10.555   3.5554   11.948   3.3614 -1.392952 4.892859 
1 1 1   14   26   21 o   23.299   1.3399  539.344   60.363  521.499   88.476  554.884   82.563   22.913   1.9892   23.685   1.7958 -0.7723083 2.679899 
1 1 1   14   26   22 o   8.3263   2.2721   30.978   54.832  104.241   85.541 -20.1188   71.438   10.248   3.5387   6.4041   2.8507 3.844341 4.544168 
1 1 1   14   26   23 o   36.720   0.9702  1324.63   67.888  1353.16  107.198  1305.53   87.720   36.998   1.4926   36.443   1.2400 0.5542297 1.940483 
1 1 1   14   26   24 o   22.799   1.5241  533.089   66.593  479.136   98.834  577.949   90.121   21.635   2.3533   23.963   1.9374 -2.327194 3.048216 
1 1 1   14   26   25 o   31.595   1.2054  999.894   72.989  1023.03  113.004  983.331   95.607   31.826   1.8291   31.364   1.5704 0.4622517 2.410774 
1 1 1   14   27    0 o   91.565   0.9181  8128.15  156.859  8202.43  261.231  8086.27  196.158   91.881   1.4646   91.249   1.1074 0.6324310 1.836188 
1 1 1   14   27    1 o   47.079   0.7878  2151.05   66.662  2156.56  119.584  2148.57   80.295   47.117   1.3075   47.041   0.8793 0.7652283E-01 1.575652 
1 1 1   14   27    2 o  150.191   1.0777 21921.28  314.123 21958.67  439.555 21882.26  449.073  150.324   1.5063  150.058   1.5417 0.2659912 2.155406 
1 1 1   14   27    3 o   53.413   0.6222  2766.60   64.352  2720.07   87.670  2820.96   94.759   52.928   0.8533   53.899   0.9057 -0.9712334 1.244341 
1 1 1   14   27    4 o  131.903   1.0087 16905.63  258.252 17160.77  367.179 16655.85  363.299  132.888   1.4234  130.917   1.4296 1.970276 2.017351 
1 1 1   14   27    5 o   90.416   0.7963  7938.58  139.746  8099.06  199.479  7783.90  195.833   91.313   1.1254   89.518   1.1270 1.794373 1.592646 
1 1 1   14   27    6 o  107.927   0.8896 11311.89  186.331 11110.20  259.798 11525.54  267.391  106.937   1.2515  108.917   1.2647 -1.979378 1.779266 
1 1 1   14   27    7 o   18.418   1.2794  328.396   45.456  280.049   62.160  383.971   66.645   16.966   1.8874   19.870   1.7278 -2.903896 2.558801 
1 1 1   14   27    8 o   11.702   2.1640  138.769   49.837  125.650   70.865  151.608   70.103   11.186   3.1368   12.218   2.9819 -1.032668 4.327973 
1 1 1   14   27    9 o  106.736   0.9076 11069.57  188.022 10958.80  263.442 11184.57  268.435  106.193   1.2780  107.280   1.2890 -1.087181 1.815155 
1 1 1   14   27   10 o  120.865   0.9847 14202.09  231.034 14234.96  326.690 14169.21  326.773  121.005   1.3908  120.725   1.3944 0.2802658 1.969436 
1 1 1   14   27   11 o   20.562   1.3213  415.055   52.307  372.294   76.246  453.070   71.891   19.548   2.0093   21.576   1.7165 -2.027594 2.642649 
1 1 1   14   27   12 o   88.139   0.8585  7549.64  146.861  7710.92  209.562  7393.98  205.874   89.064   1.2121   87.214   1.2160 1.849983 1.716973 
1 1 1   14   27   13 o   83.663   0.8330  6791.13  135.132  7075.30  196.940  6538.31  185.761   85.313   1.1892   82.014   1.1668 3.298920 1.666033 
1 1 1   14   27   14 o   90.208   0.8786  7913.46  153.850  7922.36  217.282  7904.50  217.872   90.260   1.2401   90.157   1.2449 0.1024475 1.757185 
1 1 1   14   27   15 o   26.082   1.1173  662.297   56.551  678.323   81.274  647.255   78.737   26.387   1.5867   25.776   1.5736 0.6105614 2.234680 
1 1 1   14   27   16 o   21.639   1.3263  453.067   55.155  553.193   82.201  371.074   74.386   23.799   1.7793   19.478   1.9673 4.320789 2.652586 
1 1 1   14   27   17 o   64.847   0.7809  4093.21   98.284  4087.36  137.776  4099.27  140.245   64.801   1.0953   64.893   1.1133 -0.9127045E-01 1.561776 
1 1 1   14   27   18 o   33.891   1.0016  1121.39   65.881  1150.61   93.766  1092.90   92.585   34.329   1.4071   33.454   1.4257 0.8746643 2.003124 
1 1 1   14   27   19 o   39.354   0.8851  1513.08   67.548  1444.90   95.943  1580.10   95.116   38.468   1.2848   40.240   1.2177 -1.771679 1.770172 
1 1 1   14   27   20 o   39.834   0.8951  1553.07   69.094  1539.89  100.526  1564.87   95.125   39.664   1.3056   40.005   1.2249 -0.3405266 1.790282 
1 1 1   14   27   21 f   15.881   1.9713  258.271   59.410  280.507   88.733  240.204   79.983   16.614   2.7514   15.148   2.8239 1.465494 3.942631 
1 1 1   14   27   22 o   14.634   2.1779  232.873   60.163  185.924   92.550  267.231   79.173   13.036   3.5579   16.232   2.5128 -3.195490 4.355782 
1 1 1   14   27   23 o   18.186   1.7457  330.811   60.512  376.080   97.196  302.158   77.326   19.123   2.6184   17.249   2.3094 1.874002 3.491346 
1 1 1   14   27   24 o   24.569   1.4115  612.158   66.127  598.264  102.844  621.951   86.342   24.233   2.1863   24.905   1.7860 -0.6717968 2.823037 
1 1 1   14   28    0 o  124.357   0.9474 15022.19  228.665 14924.18  320.286 15124.08  326.568  123.944   1.3312  124.770   1.3483 -0.8258209 1.894764 
1 1 1   14   28    1 o   57.223   0.6154  3164.94   68.168  2989.15   92.307  3375.81  101.100   55.484   0.8570   58.963   0.8833 -3.478695 1.230748 
1 1 1   14   28    2 o   77.454   0.7183  5821.81  107.913  5719.69  149.289  5933.56  156.168   76.743   1.0021   78.164   1.0293 -1.420372 1.436528 
1 1 1   14   28    3 o   15.695   1.2556  237.342   38.039  205.889   51.301  275.750   56.691   14.550   1.8163   16.840   1.7342 -2.290030 2.511294 
1 1 1   14   28    4 o  100.285   0.8543  9770.02  166.305  9798.64  235.408  9741.51  234.973  100.432   1.2075  100.138   1.2088 0.2932892 1.708574 
1 1 1   14   28    5 o   60.146   0.6611  3513.82   77.155  3545.36  107.905  3480.84  110.365   60.422   0.9200   59.869   0.9497 0.5533791 1.322196 
1 1 1   14   28    6 o   88.559   0.8107  7618.42  139.361  7603.93  195.629  7633.35  198.576   88.474   1.1391   88.644   1.1540 -0.1699600 1.621489 
1 1 1   14   28    7 o  128.846   1.0762 16134.31  269.138 16418.34  384.717 15862.07  376.648  129.956   1.5250  127.737   1.5190 2.219673 2.152455 
1 1 1   14   28    8 o   29.021   1.0896  770.990   58.106  968.259  104.237  682.054   69.989   31.551   1.7019   26.491   1.3610 5.060234 2.179229 
1 1 1   14   28    9 o   38.843   0.7861  1466.28   59.255  1497.42   83.467  1434.64   84.136   39.260   1.0952   38.427   1.1279 0.8328819 1.572183 
1 1 1   14   28   10 o   54.073   0.7031  2840.81   73.743  2699.65  103.759  2984.89  104.825   52.714   1.0140   55.431   0.9742 -2.717033 1.406136 
1 1 1   14   28   11 o   63.014   0.7174  3854.94   87.672  3918.30  127.148  3797.51  121.050   63.506   1.0314   62.522   0.9974 0.9845390 1.434783 
1 1 1   14   28   12 o   68.886   0.7594  4612.50  101.523  4667.67  142.823  4556.15  144.340   69.304   1.0616   68.469   1.0860 0.8348923 1.518705 
1 1 1   14   28   13 f  109.612   1.0051 11687.76  213.855 11549.08  301.241 11828.65  303.646  108.956   1.4243  110.267   1.4186 -1.311874 2.010224 
1 1 1   14   28   14 o   53.188   0.7736  2749.98   79.870  2705.48  112.569  2795.08  113.341   52.754   1.0992   53.622   1.0889 -0.8672600 1.547256 
1 1 1   14   28   15 o   18.701   1.5215  348.293   54.165  299.240   81.171  387.667   72.724   17.475   2.3928   19.927   1.8801 -2.451265 3.043071 
1 1 1   14   28   16 o   42.223   0.8066  1733.60   66.022  1614.09   92.000  1860.50   94.802   40.721   1.1639   43.724   1.1169 -3.002956 1.613109 
1 1 1   14   28   17 o   57.921   0.7749  3264.13   87.086  3141.39  121.541  3393.63  124.842   56.802   1.1023   59.040   1.0893 -2.238571 1.549718 
1 1 1   14   28   18 o   46.117   0.8178  2071.52   73.099  2233.41  104.886  1918.62  101.933   47.873   1.1287   44.362   1.1837 3.510689 1.635542 
1 1 1   14   28   19 o   15.874   1.9328  255.426   58.054  286.284   83.500  226.554   80.769   16.957   2.5368   14.791   2.9168 2.165806 3.865610 
1 1 1   14   28   20 o   18.204   1.7063  338.192   58.988  275.300   86.586  392.661   80.580   16.524   2.6995   19.884   2.0877 -3.360306 3.412565 
1 1 1   14   28   21 o   17.847   1.7183  320.099   59.348  326.011   87.699  315.104   80.611   17.976   2.5132   17.717   2.3439 0.2594757 3.436582 
1 1 1   14   28   22 o   12.799   2.3710  180.636   59.806  156.963   90.177  199.225   79.909   11.999   3.5914   13.598   3.0966 -1.599216 4.742019 
1 1 1   14   28   23 f   42.856   0.8958  1789.46   73.835  1945.50  114.034  1676.82   96.887   44.420   1.3225   41.292   1.2088 3.127857 1.791671 
1 1 1   14   28   24 o   7.4770   2.2903   10.090   59.352  -1.6336  100.222   16.422   73.656   7.7677   3.4210   7.1863   3.0461 0.5813899 4.580601 
1 1 1   14   29    0 o   36.521   0.6287  1299.44   44.380  1353.30   60.845  1238.22   64.873   37.333   0.8396   35.708   0.9359 1.624275 1.257316 
1 1 1   14   29    1 o   85.170   0.8903  7046.59  141.372  7044.81  176.831  7049.73  235.345   85.166   1.0696   85.173   1.4234 -0.7057190E-02 1.780513 
1 1 1   14   29    2 o   53.690   0.7045  2806.54   70.608  2825.39   88.605  2773.74  116.875   53.942   0.8462   53.438   1.1267 0.5043640 1.409071 
1 1 1   14   29    3 o   53.681   0.6192  2798.26   64.518  2804.92   90.847  2791.48   91.641   53.745   0.8708   53.616   0.8805 0.1292000 1.238359 
1 1 1   14   29    4 o   95.047   0.8182  8775.91  150.958  8853.36  213.302  8698.20  213.671   95.467   1.1510   94.626   1.1632 0.8410873 1.636434 
1 1 1   14   29    5 o   17.301   1.2738  291.541   42.631  296.343   58.190  285.978   62.634   17.457   1.7172   17.145   1.8819 0.3113060 2.547614 
1 1 1   14   29    6 o  102.914   0.9055 10287.89  180.856 10114.14  252.787 10470.09  258.859  102.024   1.2764  103.803   1.2847 -1.779015 1.810944 
1 1 1   14   29    7 o  108.507   0.9058 11441.37  190.771 11463.37  268.478 11418.93  271.123  108.613   1.2734  108.401   1.2885 0.2122650 1.811526 
1 1 1   14   29    8 o   78.036   0.7564  5913.12  114.553  6061.46  164.009  5771.82  160.069   78.991   1.0696   77.081   1.0698 1.910400 1.512780 
1 1 1   14   29    9 o   73.100   0.7489  5185.77  106.212  5001.64  147.315  5385.10  153.276   71.750   1.0577   74.450   1.0606 -2.699501 1.497846 
1 1 1   14   29   10 o   23.922   1.1113  557.483   51.531  579.621   72.009  534.247   73.775   24.411   1.5196   23.433   1.6219 0.9784260 2.222551 
1 1 1   14   29   11 o   52.761   0.7203  2705.46   73.603  2694.32  107.678  2715.23  100.840   52.657   1.0534   52.865   0.9827 -0.2079620 1.440606 
1 1 1   14   29   12 o   44.882   0.7890  1957.51   68.728  1905.76   96.537  2010.70   97.869   44.280   1.1231   45.484   1.1085 -1.203548 1.577983 
1 1 1   14   29   13 f   79.336   0.8030  6117.05  123.642  6012.31  173.121  6226.09  176.644   78.643   1.1340   80.029   1.1371 -1.385559 1.605914 
1 1 1   14   29   14 o   90.525   0.8787  7969.43  154.391  8106.06  220.390  7837.75  216.349   91.287   1.2437   89.763   1.2416 1.523163 1.757398 
1 1 1   14   29   15 o   29.786   0.9982  862.885   57.498  971.941   83.165  763.023   79.583   31.590   1.3562   27.982   1.4651 3.608362 1.996476 
1 1 1   14   29   16 o   21.781   1.3484  464.732   56.951  448.088   81.385  480.703   79.723   21.393   1.9598   22.168   1.8526 -0.7750969 2.696804 
1 1 1   14   29   17 o   42.593   0.8472  1766.67   69.980  1661.79   97.637  1877.46  100.353   41.291   1.2181   43.895   1.1777 -2.603699 1.694373 
1 1 1   14   29   18 o   27.574   1.1121  744.329   59.510  734.975   84.847  753.387   83.489   27.400   1.5952   27.748   1.5500 -0.3477154 2.224238 
1 1 1   14   29   19 o   15.759   1.8497  253.316   54.807  216.367   77.520  290.243   77.497   14.434   2.8678   17.083   2.3369 -2.649720 3.699420 
1 1 1   14   29   20 o   55.451   0.7735  3005.15   83.133  3004.94  120.982  3005.34  114.427   55.438   1.1242   55.463   1.0628 -0.2520752E-01 1.547062 
1 1 1   14   29   21 o   17.043   1.8928  298.049   58.656  425.357   87.364  193.563   79.147   20.619   2.1828   13.467   3.0929 7.151848 3.785537 
1 1 1   14   29   22 o   5.4960   1.8748 -117.2554   59.421 -124.4844   89.720 -111.6069   79.307   5.6645   2.7314   5.3275   2.5687 0.3370333 3.749506 
1 1 1   14   29   23 o   10.406   2.2952   88.651   60.994  215.054   91.330 -13.1156   81.948   13.884   3.4128   6.9280   3.0701 6.956302 4.590498 
1 1 1   14   29   24 o   14.887   2.4755  254.739   70.698  292.055   99.800  217.150  100.164   16.130   3.2987   13.645   3.6919 2.484591 4.950954 
1 1 1   14   30    0 o   34.372   0.7048  1161.50   45.904  1219.57   59.681  1077.39   71.832   35.439   0.8675   33.305   1.1111 2.134743 1.409652 
1 1 1   14   30    1 o  142.511   1.0892 19740.78  301.324 19725.64  426.945 19755.80  425.334  142.456   1.5439  142.566   1.5369 -0.1098328 2.178486 
1 1 1   14   30    2 o   60.650   0.6453  3571.16   75.929  3544.61  105.518  3599.67  109.344   60.417   0.8997   60.883   0.9252 -0.4665565 1.290526 
1 1 1   14   30    3 o   60.048   0.6442  3500.95   75.078  3435.96  105.479  3567.70  106.889   59.483   0.9135   60.613   0.9085 -1.129776 1.288325 
1 1 1   14   30    4 o   49.758   0.6432  2399.15   62.039  2311.80   85.009  2498.68   90.745   48.791   0.8975   50.724   0.9216 -1.933006 1.286442 
1 1 1   14   30    5 o   34.693   0.7636  1169.20   51.421  1172.44   72.311  1165.87   73.138   34.742   1.0722   34.644   1.0875 0.9791565E-01 1.527215 
1 1 1   14   30    6 o   74.227   0.7201  5350.70  103.743  5474.08  147.644  5230.39  145.802   75.072   1.0131   73.381   1.0236 1.690536 1.440187 
1 1 1   14   30    7 o  122.882   0.9959 14678.10  237.543 14765.22  336.020 14591.07  335.854  123.246   1.4045  122.517   1.4122 0.7299881 1.991710 
1 1 1   14   30    8 o   69.568   0.7247  4702.73   97.846  4771.40  137.458  4632.20  139.312   70.084   1.0104   69.052   1.0393 1.031639 1.449492 
1 1 1   14   30    9 o   31.255   0.9127  949.451   55.364  941.245   77.344  958.074   79.286   31.117   1.2804   31.393   1.3011 -0.2761745 1.825449 
1 1 1   14   30   10 o   87.229   0.8146  7387.32  137.859  7624.32  198.882  7168.12  191.266   88.574   1.1567   85.884   1.1473 2.689850 1.629167 
1 1 1   14   30   11 o   40.413   0.7562  1586.81   59.311  1541.95   83.224  1633.11   84.549   39.832   1.0763   40.993   1.0625 -1.161251 1.512433 
1 1 1   14   30   12 o   85.843   0.8234  7158.34  137.147  6986.90  190.613  7342.36  197.480   84.779   1.1582   86.908   1.1706 -2.128410 1.646747 
1 1 1   14   30   13 o   59.915   0.7492  3488.51   87.121  3540.41  124.414  3438.58  122.036   60.352   1.0620   59.478   1.0570 0.8738556 1.498333 
1 1 1   14   30   14 o   19.628   1.4725  376.700   56.068  362.237   79.404  391.082   79.182   19.249   2.1251   20.006   2.0389 -0.7574806 2.945006 
1 1 1   14   30   15 o   49.499   0.7384  2379.58   70.840  2448.83  103.665  2318.92   97.030   50.171   1.0644   48.826   1.0237 1.344631 1.476829 
1 1 1   14   30   16 o   38.377   0.8630  1434.52   64.287  1409.24   90.302  1460.50   91.541   38.034   1.2231   38.720   1.2179 -0.6861191 1.726054 
1 1 1   14   30   17 o   38.211   0.8804  1422.36   65.256  1503.09   93.861  1346.84   90.786   39.262   1.2315   37.161   1.2585 2.100517 1.760861 
1 1 1   14   30   18 o   37.851   0.8656  1401.10   63.471  1319.72   90.739  1479.06   88.815   36.765   1.2714   38.938   1.1750 -2.172966 1.731247 
1 1 1   14   30   19 o   9.8997   2.3209   93.159   52.636  126.373   78.445   65.960   70.988   11.038   3.3600   8.7618   3.2027 2.275915 4.641852 
1 1 1   14   30   20 o   21.219   1.3519  440.881   55.305  506.278   84.211  391.281   73.338   22.582   1.9210   19.857   1.9026 2.725414 2.703769 
1 1 1   14   30   21 o   9.8008   2.3075   92.777   56.333   22.710   85.726  146.027   74.734   7.9440   3.3219   11.658   3.2036 -3.713651 4.614968 
1 1 1   14   30   22 o   11.835   2.4478  154.257   59.690  147.403   89.834  159.676   79.871   11.605   3.6068   12.064   3.3104 -0.4597988 4.895693 
1 1 1   14   30   23 o   33.783   1.0374  1122.65   67.758  1253.50  101.163  1016.19   91.250   35.554   1.4658   32.011   1.4685 3.543205 2.074821 
1 1 1   14   30   24 o   34.695   1.0870  1196.86   72.441  1237.81  111.523  1166.96   95.279   35.143   1.6348   34.248   1.4332 0.8951073 2.174052 
1 1 1   14   31    0 o  136.486   1.0513 18095.26  278.460 18514.62  400.018 17701.00  387.868  138.019   1.4931  134.954   1.4806 3.065125 2.102700 
1 1 1   14   31    1 o   25.797   0.7942  643.408   39.636  611.766   53.462  682.028   59.064   25.096   1.0974   26.497   1.1483 -1.401056 1.588367 
1 1 1   14   31    2 o   47.115   0.6154  2155.62   56.280  2170.51   79.544  2140.69   79.641   47.278   0.8667   46.952   0.8738 0.3260612 1.230756 
1 1 1   14   31    3 o   23.337   0.9120  529.540   41.245  535.507   56.898  522.933   59.875   23.477   1.2485   23.198   1.3296 0.2788639 1.823919 
1 1 1   14   31    4 o  108.494   0.9008 11435.92  189.708 11628.33  269.922 11248.10  266.682  109.396   1.2711  107.592   1.2769 1.803963 1.801687 
1 1 1   14   31    5 o  106.210   0.9210 10960.26  189.855 10853.56  265.851 11071.31  271.221  105.683   1.2959  106.737   1.3090 -1.053566 1.841966 
1 1 1   14   31    6 o   42.035   0.6999  1707.83   56.850  1801.22   85.340  1633.32   76.226   43.062   1.0209   41.008   0.9576 2.054214 1.399730 
1 1 1   14   31    7 o   53.899   0.6806  2821.04   71.194  2750.16   99.829  2894.40  101.561   53.210   0.9665   54.588   0.9584 -1.377922 1.361137 
1 1 1   14   31    8 o   98.198   0.8826  9372.92  168.247  9332.64  238.343  9412.91  237.533   97.987   1.2531   98.409   1.2434 -0.4215927 1.765298 
1 1 1   14   31    9 o   55.742   0.7141  3018.84   77.257  3006.12  110.006  3031.23  108.526   55.626   1.0188   55.859   1.0009 -0.2327614 1.428155 
1 1 1   14   31   10 o   56.075   0.7131  3048.24   77.512  2930.45  106.147  3182.80  113.455   54.918   0.9957   57.232   1.0212 -2.314148 1.426291 
1 1 1   14   31   11 o   66.972   0.7474  4354.69   97.109  4479.22  140.226  4239.93  134.611   67.891   1.0640   66.053   1.0498 1.837250 1.494763 
1 1 1   14   31   12 o  113.931   1.0349 12627.12  228.823 12868.31  327.723 12397.69  319.637  114.991   1.4682  112.871   1.4588 2.120399 2.069726 
1 1 1   14   31   13 o   39.287   0.8325  1500.79   63.411  1496.50   87.446  1505.56   92.087   39.230   1.1483   39.344   1.2057 -0.1148300 1.665057 
1 1 1   14   31   14 o   13.920   2.0167  198.175   52.542  189.277   76.963  205.941   71.906   13.595   2.9970   14.244   2.6993 -0.6492481 4.033382 
1 1 1   14   31   15 o   32.963   0.9272  1057.87   59.304  1087.11   85.306  1030.52   82.502   33.403   1.3156   32.523   1.3068 0.8801270 1.854329 
1 1 1   14   31   16 o   39.375   0.8507  1510.75   65.015  1493.74   92.002  1527.72   91.887   39.152   1.2105   39.597   1.1954 -0.4446793 1.701314 
1 1 1   14   31   17 o   14.272   2.0704  210.050   55.387  212.212   80.270  208.085   76.523   14.331   2.9825   14.212   2.8725 0.1181507 4.140869 
1 1 1   14   31   18 o   12.212   2.1966  154.638   51.830  169.165   79.088  143.702   68.620   12.694   3.2082   11.731   3.0012 0.9631290 4.393135 
1 1 1   14   31   19 o   18.822   1.4656  351.161   53.199  407.785   77.146  299.822   73.458   20.289   1.9588   17.355   2.1805 2.933861 2.931139 
1 1 1   14   31   20 o   42.459   0.8294  1768.23   67.985  1729.19  100.931  1800.65   91.981   42.009   1.2377   42.909   1.1043 -0.9007530 1.658736 
1 1 1   14   31   21 f   13.760   2.0646  217.640   54.243  117.200   84.841  287.084   70.546   10.614   3.5255   16.906   2.1496 -6.292402 4.129135 
1 1 1   14   31   22 o   22.869   1.3696  531.881   59.722  475.121   90.170  576.238   79.712   21.683   2.1423   24.054   1.7072 -2.370266 2.739281 
1 1 1   14   31   23 o   25.557   1.6132  674.714   77.563  693.660   99.301  645.068  124.216   26.202   1.9523   24.912   2.5687 1.290285 3.226401 
1 1 1   14   32    0 o   96.939   0.8261  9127.25  155.417  9058.04  217.040  9200.09  222.652   96.563   1.1579   97.316   1.1786 -0.7526779 1.652229 
1 1 1   14   32    1 o   7.5966   1.9079   45.920   36.653   19.508   53.627   69.074   50.211   6.6911   2.6924   8.5021   2.7041 -1.810977 3.815886 
1 1 1   14   32    2 o   9.3794   1.9119   86.624   37.561  112.228   53.319   61.399   52.922   10.523   2.6202   8.2356   2.7848 2.287513 3.823713 
1 1 1   14   32    3 o   26.113   0.8801  662.617   44.579  697.902   63.419  628.152   62.677   26.801   1.2190   25.426   1.2699 1.375660 1.760285 
1 1 1   14   32    4 o   25.814   0.8787  647.490   44.028  656.141   62.388  638.907   62.143   25.986   1.2368   25.642   1.2484 0.3438072 1.757351 
1 1 1   14   32    5 o  143.637   1.1040 20053.40  307.742 20466.56  441.074 19661.49  429.579  145.077   1.5662  142.197   1.5563 2.880325 2.207936 
1 1 1   14   32    6 o   60.826   0.8098  3587.95   91.494  3571.43  113.773  3618.20  153.928   60.637   0.9666   61.014   1.2996 -0.3770561 1.619672 
1 1 1   14   32    7 o   59.988   0.8219  3532.24   90.746  3384.22  153.635  3611.55  112.460   59.000   1.3414   60.975   0.9501 -1.974403 1.643833 
1 1 1   14   32    8 o   50.080   0.6822  2434.61   66.251  2398.79   91.410  2474.25   96.156   49.693   0.9476   50.467   0.9815 -0.7740555 1.364314 
1 1 1   14   32    9 o   67.497   0.7226  4421.76   94.613  4549.94  137.003  4304.90  130.818   68.430   1.0314   66.563   1.0124 1.866867 1.445256 
1 1 1   14   32   10 o   38.426   0.8224  1435.63   61.326  1452.17   85.996  1418.53   87.480   38.652   1.1462   38.200   1.1797 0.4520111 1.644817 
1 1 1   14   32   11 o   38.471   0.8305  1443.33   61.818  1521.03   85.662  1358.90   89.299   39.558   1.1155   37.384   1.2305 2.173702 1.660914 
1 1 1   14   32   12 o   25.492   1.1123  635.457   54.792  575.893   78.411  692.295   76.596   24.315   1.6613   26.669   1.4796 -2.354259 2.224638 
1 1 1   14   32   13 o   33.098   0.9263  1066.30   59.493  1101.80   84.363  1031.18   83.910   33.647   1.2916   32.549   1.3281 1.098652 1.852574 
1 1 1   14   32   14 o   27.431   1.0326  729.052   54.594  769.443   83.138  698.430   72.389   28.089   1.5247   26.772   1.3929 1.317047 2.065207 
1 1 1   14   32   15 o   49.712   0.7790  2403.00   75.078  2578.57  107.966  2238.61  104.473   51.471   1.0806   47.953   1.1223 3.518177 1.557991 
1 1 1   14   32   16 o   37.632   0.8880  1381.69   64.821  1400.66   90.271  1361.48   93.138   37.903   1.2269   37.361   1.2842 0.5419159 1.776086 
1 1 1   14   32   17 o   36.132   0.8715  1272.96   61.009  1288.39   89.280  1259.44   83.563   36.332   1.2659   35.932   1.1980 0.3999596 1.742936 
1 1 1   14   32   18 o   15.937   1.8280  262.414   54.088  213.270   78.666  306.476   74.488   14.300   2.9323   17.574   2.1834 -3.274458 3.655947 
1 1 1   14   32   19 o   36.001   0.8765  1270.62   60.983  1255.64   90.285  1283.20   82.698   35.789   1.2996   36.212   1.1765 -0.4229965 1.752982 
1 1 1   14   32   20 f   49.722   0.7801  2424.21   75.046  2337.94  109.525  2500.56  103.035   48.868   1.1546   50.576   1.0495 -1.708866 1.560277 
1 1 1   14   32   21 o   36.925   0.8995  1346.54   63.795  1296.26   96.477  1385.60   85.042   36.271   1.3702   37.578   1.1658 -1.306599 1.799073 
1 1 1   14   32   22 o   17.894   1.7916  340.348   58.905  285.994   89.142  382.480   78.482   16.329   2.9193   19.459   2.0777 -3.129341 3.583216 
1 1 1   14   32   23 o   23.779   1.3987  547.978   63.091  732.225  102.127  434.264   80.232   26.878   1.9574   20.680   1.9986 6.197460 2.797493 
1 1 1   14   33    0 o   8.7521   1.9182   73.926   36.066   83.735   51.809   64.703   50.238   9.1980   2.7149   8.3062   2.7107 0.8918200 3.836476 
1 1 1   14   33    1 o   11.918   1.6691  143.465   37.183  147.305   51.128  139.154   54.174   12.104   2.2591   11.731   2.4576 0.3728418 3.338134 
1 1 1   14   33    2 f   38.347   0.6797  1427.01   50.543  1403.81   69.698  1452.73   73.402   38.019   0.9444   38.675   0.9777 -0.6559258 1.359350 
1 1 1   14   33    3 o   32.053   0.7619  1002.91   47.153  934.495   68.776  1063.60   64.773   31.014   1.1424   33.091   1.0084 -2.076630 1.523768 
1 1 1   14   33    4 o   86.284   0.7838  7232.40  131.268  7262.41  186.753  7203.10  184.549   86.460   1.1127   86.107   1.1041 0.3531723 1.567540 
1 1 1   14   33    5 o   46.445   0.6933  2096.08   62.448  2077.43   90.046  2113.36   86.680   46.245   1.0031   46.645   0.9573 -0.3999252 1.386563 
1 1 1   14   33    6 o  106.155   0.8972 10953.37  184.891 10991.77  261.931 10915.23  261.023  106.341   1.2689  105.970   1.2689 0.3708878 1.794493 
1 1 1   14   33    7 o   30.198   0.8759  884.586   51.292  836.116   70.798  938.131   74.412   29.329   1.2435   31.068   1.2339 -1.738119 1.751792 
1 1 1   14   33    8 o   89.687   0.8489  7816.35  147.762  8030.04  210.559  7609.00  207.409   90.895   1.1934   88.478   1.2076 2.416519 1.697766 
1 1 1   14   33    9 o   50.128   0.7290  2440.17   70.903  2391.41   98.408  2492.82  102.247   49.608   1.0219   50.648   1.0400 -1.039909 1.458027 
1 1 1   14   33   10 o   37.790   0.8249  1386.83   60.482  1431.07   87.261  1345.94   83.906   38.369   1.1716   37.210   1.1616 1.158215 1.649851 
1 1 1   14   33   11 o   46.784   0.7699  2125.59   69.883  2228.10  100.408  2029.29   97.323   47.877   1.0804   45.690   1.0973 2.186890 1.539897 
1 1 1   14   33   12 o   74.583   0.7726  5408.55  111.848  5390.33  159.028  5426.39  157.341   74.457   1.1003   74.708   1.0849 -0.2504044 1.545223 
1 1 1   14   33   13 o   48.983   0.7411  2334.16   70.439  2367.44   98.802  2299.76  100.449   49.339   1.0316   48.626   1.0642 0.7134895 1.482109 
1 1 1   14   33   14 o   10.610   2.2840  112.966   52.082   85.428   77.616  135.521   70.245   9.7216   3.3701   11.499   3.0836 -1.777352 4.567917 
1 1 1   14   33   15 o   21.509   1.3311  453.343   55.448  454.231   75.917  452.328   81.178   21.538   1.8158   21.479   1.9469 0.5922890E-01 2.662252 
1 1 1   14   33   16 o   45.621   0.7835  2026.53   69.341  2130.54   99.422  1928.02   96.759   46.762   1.0953   44.480   1.1206 2.281994 1.566964 
1 1 1   14   33   17 o   33.300   0.9030  1083.97   58.322  1054.81   83.394  1111.88   81.594   32.856   1.3075   33.744   1.2457 -0.8876534 1.805911 
1 1 1   14   33   18 o   35.725   0.8567  1249.05   59.363  1207.35   84.658  1289.39   83.265   35.131   1.2414   36.318   1.1810 -1.187519 1.713463 
1 1 1   14   33   19 o   48.928   0.7602  2340.50   72.199  2383.32  102.134  2297.72  102.074   49.379   1.0655   48.478   1.0847 0.9011459 1.520499 
1 1 1   14   33   20 o   42.220   0.8516  1744.73   69.655  1796.67  102.334  1699.90   95.079   42.795   1.2319   41.646   1.1761 1.148800 1.703151 
1 1 1   14   33   21 o   26.977   1.1721  720.897   61.270  758.037   89.968  688.773   83.672   27.616   1.6783   26.339   1.6365 1.276619 2.344108 
1 1 1   14   33   22 o   7.2457   2.2212   4.5939   57.059   1.5809   88.738   6.7177   74.503   7.4671   3.2554   7.0243   3.0227 0.4427576 4.442324 
1 1 1   14   33   23 o   14.734   2.2389  253.501   62.689  175.454   97.435  308.629   81.889   12.253   3.7478   17.215   2.4505 -4.961959 4.477809 
1 1 1   14   34    0 f   58.801   0.6397  3358.35   73.002  3387.74  102.589  3328.20  103.903   59.062   0.8948   58.540   0.9143 0.5220642 1.279326 
1 1 1   14   34    1 o   41.411   0.6329  1661.31   50.795  1597.53   69.448  1734.68   74.485   40.559   0.8821   42.263   0.9079 -1.704460 1.265849 
1 1 1   14   34    2 o   57.624   0.6526  3218.82   72.921  3355.07  106.203  3097.28  100.302   58.775   0.9309   56.472   0.9150 2.302441 1.305243 
1 1 1   14   34    3 o   51.963   0.6378  2622.46   64.338  2622.85   90.899  2622.06   91.076   51.967   0.9011   51.959   0.9030 0.7934570E-02 1.275655 
1 1 1   14   34    4 o   66.992   0.7045  4356.79   91.587  4478.78  131.526  4241.94  127.611   67.902   0.9978   66.082   0.9948 1.819580 1.409015 
1 1 1   14   34    5 o   68.156   0.7141  4511.59   94.460  4644.88  134.682  4382.56  132.518   69.146   1.0034   67.165   1.0164 1.981758 1.428254 
1 1 1   14   34    6 o  111.677   0.9311 12120.40  201.818 11912.76  282.100 12338.09  288.847  110.698   1.3128  112.656   1.3208 -1.957771 1.862268 
1 1 1   14   34    7 o   17.357   1.5060  299.989   49.657  246.513   73.481  344.938   67.368   15.894   2.3817   18.821   1.8439 -2.927444 3.012039 
1 1 1   14   34    8 o   8.6563   2.2362   59.533   48.889   58.888   67.472   60.246   70.936   8.5768   3.1243   8.7358   3.2002 -0.1589870 4.472408 
1 1 1   14   34    9 o   89.456   0.8348  7778.15  144.956  7854.21  206.587  7704.38  203.448   89.886   1.1840   89.026   1.1773 0.8606949 1.669652 
1 1 1   14   34   10 o   65.863   0.7365  4216.21   94.123  4206.30  134.913  4225.62  131.377   65.787   1.0565   65.940   1.0264 -0.1534424 1.472935 
1 1 1   14   34   11 o   14.800   1.9713  228.321   54.336  120.912   76.627  336.949   77.061   11.025   3.3130   18.575   2.1372 -7.549482 3.942546 
1 1 1   14   34   12 o   48.675   0.7543  2303.10   71.257  2379.20  101.777  2229.94   99.796   49.464   1.0600   47.886   1.0736 1.577805 1.508689 
1 1 1   14   34   13 o   18.669   1.5136  341.606   54.811  337.774   78.767  345.203   76.319   18.563   2.1859   18.774   2.0942 -0.2105980 3.027129 
1 1 1   14   34   14 o   38.242   0.8571  1424.43   63.625  1404.59   89.741  1444.48   90.219   37.974   1.2174   38.510   1.2069 -0.5365982 1.714256 
1 1 1   14   34   15 o   17.487   1.6896  302.918   56.889  257.099   79.908  350.010   81.010   16.121   2.5535   18.854   2.2135 -2.733028 3.379298 
1 1 1   14   34   16 o   25.623   1.1150  633.818   55.051  721.570   84.248  568.429   72.726   27.147   1.5988   24.100   1.5545 3.046555 2.229938 
1 1 1   14   34   17 o   18.794   1.4569  346.363   52.788  374.379   80.485  325.213   69.931   19.442   2.1326   18.145   1.9854 1.297323 2.913711 
1 1 1   14   34   18 o   19.726   1.4402  386.575   55.126  398.947   78.098  374.289   77.824   20.047   2.0069   19.405   2.0661 0.6423321 2.880328 
1 1 1   14   34   19 o   36.191   0.9037  1285.12   63.442  1235.18   90.006  1334.43   89.437   35.483   1.3067   36.898   1.2487 -1.415127 1.807388 
1 1 1   14   34   20 o   11.387   2.4223  140.038   57.931  134.842   82.231  145.159   81.626   11.201   3.4458   11.574   3.4054 -0.3725643 4.844574 
1 1 1   14   34   21 o   6.8114   2.1364 -30.0091   57.894   25.141   85.156 -77.4080   78.945   7.8907   3.3061   5.7322   2.7068 2.158482 4.272822 
1 1 1   14   34   22 o   22.124   1.4320  496.127   61.317  494.735   90.098  497.328   83.686   22.057   2.1042   22.190   1.9428 -0.1323452 2.863994 
1 1 1   14   35    0 o   10.783   1.8062  118.010   37.349  102.322   52.590  133.976   53.053   10.061   2.6543   11.506   2.4504 -1.444699 3.612496 
1 1 1   14   35    1 o   24.487   0.8977  584.620   42.487  558.640   62.215  607.325   58.162   23.974   1.3369   25.000   1.1985 -1.026295 1.795417 
1 1 1   14   35    2 o   55.343   0.6507  2969.06   69.833  2836.13   96.246  3116.84  101.479   54.038   0.9175   56.649   0.9228 -2.610947 1.301337 
1 1 1   14   35    3 o   62.010   0.6803  3734.66   81.889  3676.72  115.105  3794.03  116.526   61.523   0.9638   62.497   0.9605 -0.9739380 1.360697 
1 1 1   14   35    4 o   36.858   0.7366  1319.65   52.695  1304.64   73.897  1335.18   75.164   36.645   1.0388   37.071   1.0445 -0.4262276 1.473156 
1 1 1   14   35    5 o   23.957   1.0541  562.843   48.612  503.383   70.801  615.876   66.865   22.747   1.6035   25.168   1.3686 -2.421715 2.108116 
1 1 1   14   35    6 o   30.609   0.8446  906.882   50.063  828.536   68.539  996.494   73.302   29.197   1.2093   32.021   1.1793 -2.823954 1.689123 
1 1 1   14   35    7 o   65.583   0.7138  4177.24   90.854  4296.33  130.148  4064.04  126.888   66.495   1.0083   64.672   1.0107 1.822746 1.427669 
1 1 1   14   35    8 o   26.101   1.0865  662.602   54.714  764.935   78.990  568.220   75.859   28.041   1.4512   24.161   1.6175 3.879854 2.173032 
1 1 1   14   35    9 o   69.628   0.7479  4712.15  101.071  4734.88  141.731  4688.64  144.171   69.800   1.0460   69.456   1.0693 0.3436813 1.495858 
1 1 1   14   35   10 o  101.424   0.9218 10004.99  181.467 10167.39  258.382  9846.93  254.920  102.237   1.3019  100.612   1.3052 1.624626 1.843547 
1 1 1   14   35   11 o   47.394   0.7732  2185.25   71.094  2106.20  100.804  2263.49  100.283   46.539   1.1158   48.249   1.0707 -1.710171 1.546445 
1 1 1   14   35   12 o   38.653   0.8457  1453.48   63.441  1415.20   88.704  1493.57   90.770   38.132   1.1984   39.174   1.1937 -1.042019 1.691417 
1 1 1   14   35   13 o   22.268   1.2417  484.576   53.613  484.964   77.686  484.223   74.083   22.273   1.7968   22.263   1.7142 0.9843826E-02 2.483381 
1 1 1   14   35   14 o   7.8619   2.2486   28.103   52.913   24.510   70.956   32.605   79.416   7.5795   3.0803   8.1443   3.2766 -0.5647645 4.497159 
1 1 1   14   35   15 o   38.764   0.8367  1461.68   62.884  1374.88   86.735  1557.86   91.303   37.553   1.1898   39.975   1.1766 -2.422890 1.673346 
1 1 1   14   35   16 o   49.571   0.7307  2394.01   70.258  2413.07  101.620  2376.56   97.245   49.756   1.0521   49.386   1.0144 0.3705482 1.461489 
1 1 1   14   35   17 o   18.326   1.5320  334.079   54.344  363.961   77.074  304.536   76.635   19.160   2.0723   17.491   2.2570 1.668049 3.064099 
1 1 1   14   35   18 o   41.369   0.8191  1674.56   65.757  1665.25   91.837  1684.36   94.196   41.254   1.1468   41.483   1.1698 -0.2293053 1.638122 
1 1 1   14   35   19 o   17.678   1.7873  328.591   56.835  217.555   80.105  441.146   80.650   14.314   2.9798   21.042   1.9745 -6.728573 3.574612 
1 1 1   14   35   20 o   14.361   2.0743  219.016   56.852  165.600   79.252  275.642   81.599   12.309   3.2638   16.414   2.5610 -4.105268 4.148629 
1 1 1   14   35   21 o   35.133   0.9482  1217.88   64.645  1248.66   92.957  1189.05   89.959   35.560   1.3466   34.706   1.3353 0.8541870 1.896417 
1 1 1   14   35   22 f   26.127   1.2984  686.265   65.562  713.006   98.104  664.683   88.133   26.548   1.9036   25.706   1.7662 0.8427715 2.596806 
1 1 1   14   36    0 o   51.528   0.6432  2575.09   64.284  2474.09   88.894  2685.81   93.074   50.471   0.9073   52.586   0.9118 -2.114983 1.286316 
1 1 1   14   36    1 o   72.928   0.9145  5150.71  121.007  5116.83  146.757  5222.66  213.867   72.573   1.0417   73.283   1.5034 -0.7091064 1.829059 
1 1 1   14   36    2 o   49.398   0.6535  2370.48   62.652  2425.52   88.706  2315.69   88.502   49.971   0.9145   48.826   0.9338 1.145340 1.306970 
1 1 1   14   36    3 o   19.480   1.1947  369.236   45.109  370.421   65.651  368.177   62.087   19.508   1.7336   19.452   1.6443 0.5643654E-01 2.389376 
1 1 1   14   36    4 o   39.226   0.7246  1491.64   55.112  1562.99   80.376  1428.33   75.712   40.110   1.0323   38.343   1.0172 1.766140 1.449273 
1 1 1   14   36    5 o   69.681   0.7152  4716.71   96.737  4659.17  135.830  4775.92  137.804   69.250   1.0104   70.112   1.0125 -0.8621063 1.430445 
1 1 1   14   36    6 o   84.322   0.9385  6874.40  147.121  6777.32  182.754  7053.17  247.995   83.503   1.1274   85.140   1.5005 -1.636108 1.876900 
1 1 1   14   36    7 o   82.234   0.7947  6570.80  126.829  6472.17  177.277  6674.22  181.524   81.603   1.1191   82.866   1.1285 -1.263016 1.589320 
1 1 1   14   36    8 o   35.346   0.8500  1214.92   58.297  1171.41   82.356  1258.62   82.533   34.710   1.2223   35.981   1.1816 -1.270981 1.700067 
1 1 1   14   36    9 o   26.132   1.1430  668.232   57.586  755.324   81.270  580.416   81.607   27.856   1.5030   24.408   1.7224 3.448391 2.285945 
1 1 1   14   36   10 o   62.820   0.7286  3837.95   88.802  3967.15  125.275  3707.48  125.897   63.885   1.0102   61.755   1.0502 2.129871 1.457190 
1 1 1   14   36   11 o   17.990   1.4839  318.121   51.495  300.245   75.883  333.379   70.108   17.510   2.2325   18.470   1.9554 -0.9599457 2.967752 
1 1 1   14   36   12 o   62.169   0.7542  3760.39   91.008  3687.42  128.455  3833.93  128.957   61.562   1.0749   62.775   1.0583 -1.213425 1.508428 
1 1 1   14   36   13 o   47.460   0.7694  2195.07   70.804  2124.56  101.537  2261.81   98.784   46.714   1.1197   48.207   1.0556 -1.493549 1.538878 
1 1 1   14   36   14 o   31.798   0.9502  987.357   58.594  1005.32   81.547  968.187   84.246   32.102   1.3086   31.494   1.3780 0.6071434 1.900379 
1 1 1   14   36   15 o   8.8329   2.0402   47.065   50.964 -61.7636   74.059  144.958   70.240   5.8527   2.7172   11.813   3.0440 -5.960473 4.080386 
1 1 1   14   36   16 o   31.088   0.9226  944.155   55.621  1004.44   79.953  887.619   77.428   32.052   1.2850   30.124   1.3241 1.928244 1.845128 
1 1 1   14   36   17 f   10.280   2.2789  103.032   54.273  160.143   76.559   45.337   76.950   12.278   3.1850   8.2826   3.2602 3.995618 4.557793 
1 1 1   14   36   18 o   23.587   1.2636  550.882   57.828  545.040   82.788  556.448   80.809   23.456   1.8182   23.717   1.7552 -0.2605476 2.527197 
1 1 1   14   36   19 o   10.271   2.0674   84.488   55.562  216.827   79.787 -40.1126   77.419   14.255   2.9793   6.2881   2.8671 7.966837 4.134792 
1 1 1   14   36   20 o   12.193   2.3632  163.919   57.677  154.114   82.416  173.332   80.745   11.832   3.4049   12.554   3.2779 -0.7223969 4.726329 
1 1 1   14   36   21 o   8.5404   2.3395   51.809   57.367   98.084   83.362   10.180   79.067   9.8044   3.4851   7.2764   3.1221 2.528018 4.679039 
1 1 1   14   36   22 o   22.441   1.4831  512.014   64.338  548.044   96.483  483.164   86.336   23.119   2.1499   21.764   2.0436 1.355408 2.966212 
1 1 1   14   37    0 o   10.553   2.5685   82.248   51.907   69.575   57.273  140.524  122.813   8.6838   2.8972   12.423   4.2421 -3.739031 5.137037 
1 1 1   14   37    1 o   47.397   0.9350  2177.62   75.872  2170.49   88.394  2197.57  147.875   47.269   0.9634   47.526   1.6029 -0.2575493 1.870084 
1 1 1   14   37    2 o   49.203   0.6772  2356.88   64.536  2234.58   92.719  2471.81   89.882   47.960   0.9959   50.445   0.9179 -2.485134 1.354385 
1 1 1   14   37    3 o   34.998   0.7381  1189.36   50.108  1207.71   72.460  1172.54   69.367   35.256   1.0588   34.740   1.0286 0.5162010 1.476156 
1 1 1   14   37    4 o   23.216   1.0537  519.766   47.269  591.049   70.522  461.619   63.694   24.650   1.4738   21.783   1.5063 2.866589 2.107389 
1 1 1   14   37    5 o   39.605   0.7159  1523.89   55.006  1596.94   78.425  1453.15   77.171   40.540   0.9966   38.671   1.0280 1.869564 1.431774 
1 1 1   14   37    6 o   67.485   0.7111  4425.41   93.155  4378.04  131.714  4472.82  131.768   67.124   1.0109   67.847   1.0005 -0.7234802 1.422261 
1 1 1   14   37    7 o   55.897   0.7227  3036.50   78.410  3005.15  111.213  3067.49  110.565   55.609   1.0302   56.184   1.0138 -0.5749550 1.445385 
1 1 1   14   37    8 o   64.046   0.7116  3986.70   88.465  4033.90  124.871  3939.15  125.347   64.427   0.9985   63.665   1.0143 0.7624092 1.423244 
1 1 1   14   37    9 o   48.698   0.7456  2305.27   70.482  2311.92  100.050  2298.72   99.308   48.767   1.0569   48.628   1.0520 0.1390953 1.491227 
1 1 1   14   37   10 o   89.876   0.8594  7858.98  149.922  7926.50  213.244  7792.97  210.820   90.257   1.2171   89.494   1.2135 0.7628326 1.718729 
1 1 1   14   37   11 o   43.533   0.7754  1843.94   65.512  1794.70   92.361  1893.80   92.937   42.947   1.1079   44.119   1.0852 -1.171970 1.550791 
1 1 1   14   37   12 o   12.836   2.1536  169.205   52.955  148.856   73.371  191.331   76.507   12.026   3.1172   13.646   2.9723 -1.620089 4.307150 
1 1 1   14   37   13 o   9.5680   2.1547   76.906   51.647  150.602   72.025  -1.0983   74.100   12.071   3.0675   7.0653   3.0267 5.005303 4.309350 
1 1 1   14   37   14 o   36.819   0.8655  1321.97   61.857  1303.69   86.960  1340.70   88.008   36.561   1.2253   37.077   1.2228 -0.5157127 1.731041 
1 1 1   14   37   15 o   15.996   1.6616  251.705   51.328  290.275   76.071  219.470   69.544   17.121   2.2889   14.871   2.4091 2.249756 3.323127 
1 1 1   14   37   16 o   44.484   0.7881  1932.39   68.038  1882.97   95.762  1982.77   96.685   43.908   1.1235   45.061   1.1053 -1.153137 1.576110 
1 1 1   14   37   17 o   28.812   1.0446  819.083   58.224  755.927   83.336  879.307   81.380   27.705   1.5496   29.920   1.4012 -2.215061 2.089135 
1 1 1   14   37   18 o   40.838   0.8416  1633.90   66.719  1649.59   94.492  1618.30   94.220   41.035   1.1862   40.642   1.1943 0.3937187 1.683293 
1 1 1   14   37   19 o   11.449   2.3297  141.060   54.653  162.161   80.345  122.887   74.561   12.186   3.3106   10.713   3.2787 1.472112 4.659389 
1 1 1   14   37   20 o   21.591   1.3624  469.992   56.770  445.184   83.420  491.392   77.478   21.012   2.0452   22.169   1.8004 -1.157181 2.724761 
1 1 1   14   37   21 o   11.012   2.4239  132.173   57.629  167.518   86.729  104.231   77.114   12.136   3.4930   9.8874   3.3615 2.248317 4.847777 
1 1 1   14   38    0 f   16.443   2.1596  272.767   55.344  275.021   62.457  264.529  119.415   16.805   1.9146   16.082   3.8718 0.7232170 4.319292 
1 1 1   14   38    1 o   34.675   1.1655  1169.07   64.234  1168.43   72.406  1171.47  139.185   34.677   1.0756   34.672   2.0680 0.5626678E-02 2.331009 
1 1 1   14   38    2 o   54.419   0.9062  2867.63   86.703  2852.28  102.632  2905.90  162.034   54.184   0.9758   54.654   1.5273 -0.4694290 1.812379 
1 1 1   14   38    3 o   6.6129   1.9552  -2.5621   44.031 -40.9958   62.444   35.444   62.095   5.6374   2.5721   7.5884   2.9454 -1.950995 3.910372 
1 1 1   14   38    4 o   61.135   0.6982  3630.37   82.843  3712.41  118.382  3551.63  115.971   61.812   0.9866   60.458   0.9882 1.353416 1.396383 
1 1 1   14   38    5 o   42.723   0.7272  1772.18   60.246  1889.20   86.458  1661.72   83.996   44.094   1.0101   41.352   1.0464 2.741432 1.454393 
1 1 1   14   38    6 o   61.836   0.7100  3710.89   85.159  3593.50  117.718  3839.77  123.347   60.812   0.9972   62.860   1.0108 -2.048264 1.419945 
1 1 1   14   38    7 o   38.682   0.9296  1467.09   66.768  1414.97  111.125  1496.53   83.525   38.128   1.5014   39.237   1.0966 -1.109463 1.859270 
1 1 1   14   38    8 o   29.840   0.9590  869.184   55.328  827.881   80.722  905.781   75.984   29.165   1.4258   30.514   1.2828 -1.349430 1.917952 
1 1 1   14   38    9 o   46.544   0.7260  2107.69   65.542  2195.29   92.392  2018.95   92.993   47.520   1.0016   45.568   1.0513 1.952232 1.452045 
1 1 1   14   38   10 o   71.670   0.7579  4989.07  105.354  4776.98  145.699  5221.48  152.520   70.076   1.0711   73.264   1.0724 -3.187614 1.515701 
1 1 1   14   38   11 o   45.045   0.7798  1974.85   68.183  1940.62   96.393  2009.13   96.456   44.654   1.1121   45.437   1.0936 -0.7833862 1.559681 
1 1 1   14   38   12 o   27.921   1.0356  761.075   56.065  807.552   79.702  715.551   78.881   28.769   1.4272   27.073   1.5010 1.695864 2.071196 
1 1 1   14   38   13 o   27.836   1.0436  758.093   56.299  802.095   79.275  713.320   79.967   28.658   1.4250   27.013   1.5250 1.644558 2.087185 
1 1 1   14   38   14 o   29.792   0.9818  865.886   56.597  772.936   78.392  967.084   81.796   28.118   1.4363   31.466   1.3391 -3.348558 1.963696 
1 1 1   14   38   15 o   17.038   1.5346  287.837   50.672  267.382   71.225  308.800   72.104   16.414   2.2354   17.662   2.1031 -1.247869 3.069232 
1 1 1   14   38   16 o   16.377   1.7380  268.932   55.203  253.905   77.253  284.610   78.911   15.900   2.5029   16.854   2.4119 -0.9542036 3.475902 
1 1 1   14   38   17 o   12.606   2.2037  169.761   54.326  130.967   76.440  209.356   77.224   11.125   3.3013   14.086   2.9201 -2.961412 4.407411 
1 1 1   14   38   18 o   13.594   2.1222  196.973   54.298  204.590   81.035  190.766   73.147   13.801   3.1004   13.387   2.8988 0.4143505 4.244440 
1 1 1   14   38   19 o   27.636   1.0679  757.368   56.892  741.978   85.107  769.800   76.496   27.348   1.6031   27.924   1.4112 -0.5761280 2.135786 
1 1 1   14   38   20 o   17.586   1.6997  316.096   57.507  376.217   84.087  263.267   78.823   19.208   2.2552   15.964   2.5436 3.244301 3.399405 
1 1 1   14   38   21 o   17.085   1.9192  317.126   60.631  259.071   88.785  367.857   82.996   15.274   3.1005   18.896   2.2627 -3.622114 3.838325 
1 1 1   14   39    0 o   52.404   0.9375  2723.94   85.252  2793.62  100.872  2549.75  159.489   53.623   0.9691   51.185   1.6052 2.438187 1.875024 
1 1 1   14   39    1 o   56.146   0.9330  2999.88   88.158  2936.25  101.346  3197.74  178.716   54.975   0.9497   57.317   1.6062 -2.342705 1.865992 
1 1 1   14   39    2 o   66.560   0.9552  4286.18  110.435  4258.39  129.668  4359.56  210.723   66.200   1.0091   66.920   1.6221 -0.7207870 1.910374 
1 1 1   14   39    3 o   59.536   0.9271  3428.53   96.144  3405.48  113.080  3488.67  182.641   59.202   0.9840   59.871   1.5715 -0.6685257 1.854154 
1 1 1   14   39    4 o   24.343   1.0016  576.486   47.321  579.028   66.440  573.868   67.414   24.398   1.4028   24.288   1.4299 0.1100025 2.003126 
1 1 1   14   39    5 f   41.877   0.7510  1704.41   61.039  1656.11   86.008  1753.41   86.639   41.279   1.0734   42.476   1.0508 -1.196487 1.502079 
1 1 1   14   39    6 o   72.693   0.7581  5135.21  106.965  5260.56  152.475  5013.74  150.097   73.567   1.0677   71.820   1.0766 1.747444 1.516280 
1 1 1   14   39    7 o   57.502   0.7016  3206.81   78.225  3063.89  107.642  3366.77  113.874   56.147   0.9876   58.856   0.9967 -2.709171 1.403147 
1 1 1   14   39    8 o   24.977   1.1381  608.943   55.086  585.311   79.217  631.070   76.652   24.503   1.6655   25.450   1.5516 -0.9471722 2.276211 
1 1 1   14   39    9 o   27.114   1.0305  713.418   53.947  824.433   78.902  615.961   73.927   29.090   1.3972   25.137   1.5151 3.953785 2.060990 
1 1 1   14   39   10 o   25.894   1.0938  655.721   54.773  721.056   77.471  590.418   77.452   27.193   1.4676   24.594   1.6223 2.598999 2.187653 
1 1 1   14   39   11 o   32.242   0.9109  1013.54   56.951  957.130   80.275  1070.70   80.810   31.335   1.3197   33.149   1.2558 -1.813732 1.821753 
1 1 1   14   39   12 o   30.964   0.9187  932.545   55.138  999.876   80.346  872.609   75.805   32.018   1.2927   29.910   1.3056 2.108465 1.837338 
1 1 1   14   39   13 o   13.436   2.0525  187.258   53.598  254.451   75.492  118.962   76.110   16.035   2.4253   10.836   3.3120 5.199806 4.105024 
1 1 1   14   39   14 o   17.199   1.7070  311.413   52.204  200.705   75.482  412.915   72.276   13.908   2.8902   20.490   1.8171 -6.581504 3.413949 
1 1 1   14   39   15 o   22.550   1.2860  501.486   56.272  514.733   80.950  489.099   78.278   22.837   1.8261   22.264   1.8112 0.5729084 2.572001 
1 1 1   14   39   16 o   29.593   1.0472  864.959   59.870  780.033   85.485  946.718   83.876   28.138   1.5651   31.047   1.3917 -2.909172 2.094344 
1 1 1   14   39   17 o   32.077   0.9708  1006.01   60.295  1094.83   89.019  930.711   81.959   33.379   1.3739   30.776   1.3719 2.602745 1.941559 
1 1 1   14   39   18 o   13.444   2.1723  194.367   55.334  206.171   81.597  184.316   75.291   13.810   3.1176   13.078   3.0259 0.7324982 4.344549 
1 1 1   14   39   19 o   26.478   1.1386  696.560   58.221  697.319   86.830  695.941   78.475   26.460   1.6905   26.497   1.5257 -0.3656578E-01 2.277203 
1 1 1   14   39   20 o   10.537   2.4301  118.184   58.438  159.065   85.008   81.553   80.467   11.868   3.4705   9.2063   3.4025 2.661360 4.860198 
1 1 1   14   40    0 o   58.315   0.9547  3211.90   94.376  3116.48  108.692  3504.26  190.251   56.634   0.9887   59.997   1.6336 -3.363235 1.909447 
1 1 1   14   40    1 f   64.160   0.9527  4044.07  106.915  4098.68  126.732  3909.27  199.125   64.947   1.0052   63.372   1.6187 1.575188 1.905420 
1 1 1   14   40    2 o   37.940   1.0660  1465.53   67.316  1533.66   78.353  1273.49  131.543   39.728   1.0160   36.152   1.8745 3.576393 2.132098 
1 1 1   14   40    3 o   46.514   0.9338  2149.75   76.305  2215.50   91.133  1995.58  139.558   47.750   0.9832   45.278   1.5878 2.472527 1.867586 
1 1 1   14   40    4 o   31.432   1.1350  940.424   62.815  912.226   74.008  1013.07  118.789   30.628   1.2448   32.236   1.8983 -1.608160 2.270033 
1 1 1   14   40    5 o   54.639   0.8947  2870.84   86.462  2825.29  102.515  2983.09  160.926   53.919   0.9794   55.359   1.4975 -1.439548 1.789380 
1 1 1   14   40    6 o   25.782   1.0640  654.981   52.603  559.027   76.316  741.833   72.606   23.954   1.6412   27.611   1.3547 -3.656569 2.128084 
1 1 1   14   40    7 o   33.741   0.8626  1111.28   56.297  1047.79   81.579  1169.01   77.787   32.813   1.2807   34.668   1.1559 -1.854553 1.725225 
1 1 1   14   40    8 o   73.866   0.7674  5307.19  109.992  5295.46  153.299  5319.62  157.908   73.784   1.0703   73.948   1.1000 -0.1636124 1.534818 
1 1 1   14   40    9 o   48.843   0.7419  2321.00   70.334  2298.38   99.653  2343.44   99.281   48.605   1.0562   49.080   1.0421 -0.4757156 1.483731 
1 1 1   14   40   10 o   27.332   1.0368  724.600   54.847  800.868   81.030  660.112   74.511   28.652   1.4569   26.011   1.4757 2.641169 2.073676 
1 1 1   14   40   11 o   15.437   1.8308  240.008   53.199  204.032   74.642  277.147   75.840   14.104   2.8248   16.771   2.3296 -2.666731 3.661518 
1 1 1   14   40   12 o   33.159   0.8722  1073.57   56.075  1038.50   80.402  1106.79   78.246   32.627   1.2695   33.692   1.1964 -1.065300 1.744413 
1 1 1   14   40   13 o   12.690   2.1672  167.911   52.782  166.374   74.034  169.500   75.270   12.633   3.0530   12.748   3.0769 -0.1150351 4.334490 
1 1 1   14   40   14 o   14.299   1.8696  209.225   50.351  165.553   70.133  255.681   72.333   12.571   2.9285   16.027   2.3249 -3.456783 3.739161 
1 1 1   14   40   15 o   17.385   1.7929  317.825   55.209  189.092   77.036  453.767   79.163   13.368   3.0377   21.402   1.9054 -8.034827 3.585880 
1 1 1   14   40   16 o   31.278   0.9782  956.796   59.258  1025.54   87.405  898.321   80.614   32.310   1.3936   30.245   1.3731 2.065060 1.956371 
1 1 1   14   40   17 o   15.691   1.8943  265.203   54.040  205.087   82.839  309.739   71.302   13.796   3.1610   17.586   2.0886 -3.789793 3.788687 
1 1 1   14   40   18 o   34.074   0.9432  1148.69   62.024  1092.44   91.403  1196.69   84.442   33.265   1.4155   34.882   1.2471 -1.616993 1.886474 
1 1 1   14   40   19 o   11.149   2.3222  134.688   56.088  186.664   79.761   83.845   78.887   12.999   3.1857   9.2994   3.3796 3.699864 4.644433 
1 1 1   14   40   20 o   28.813   1.1544  833.037   64.367  765.456   91.516  899.201   90.551   27.612   1.7074   30.013   1.5542 -2.400816 2.308846 
1 1 1   14   41    0 o   47.932   0.9263  2246.52   77.104  2261.87   90.821  2206.91  145.905   48.248   0.9697   47.616   1.5785 0.6319885 1.852571 
1 1 1   14   41    1 o  112.834   1.2652 12397.12  258.997 12385.31  314.585 12421.97  456.296  112.826   1.4364  112.842   2.0831 -0.1605225E-01 2.530308 
1 1 1   14   41    2 o   59.562   0.9235  3476.21   95.484  3508.70  112.519  3392.61  180.493   60.091   0.9646   59.033   1.5751 1.058140 1.846978 
1 1 1   14   41    3 o   65.308   0.9281  4094.83  106.530  4023.79  125.710  4275.83  200.653   64.346   1.0064   66.271   1.5598 -1.924995 1.856273 
1 1 1   14   41    4 o   14.220   2.3964  210.042   60.364  221.053   70.047  178.270  118.986   15.034   2.4002   13.405   4.1484 1.628607 4.792765 
1 1 1   14   41    5 o   43.951   0.9842  1941.30   75.281  2025.92   89.696  1739.64  138.468   45.653   1.0121   42.249   1.6884 3.404125 1.968499 
1 1 1   14   41    6 o   72.293   0.9452  5095.86  123.542  5110.67  149.735  5064.29  218.648   72.497   1.0640   72.090   1.5625 0.4070282 1.890332 
1 1 1   14   41    7 o   44.273   0.7361  1918.75   62.705  1797.08   93.342  2018.82   84.649   42.978   1.1188   45.567   0.9570 -2.589031 1.472275 
1 1 1   14   41    8 o   40.481   0.7853  1594.50   61.691  1539.86   86.738  1650.42   87.760   39.778   1.1233   41.184   1.0978 -1.405758 1.570639 
1 1 1   14   41    9 o   41.821   0.7582  1705.39   61.413  1761.10   84.904  1644.26   88.938   42.544   1.0281   41.099   1.1148 1.444569 1.516480 
1 1 1   14   41   10 o   41.857   0.7435  1704.80   60.395  1644.52   84.460  1767.87   86.396   41.100   1.0586   42.615   1.0444 -1.515209 1.487098 
1 1 1   14   41   11 o   21.671   1.2974  465.212   53.952  392.851   77.402  533.594   75.244   19.995   1.9942   23.347   1.6602 -3.351944 2.594834 
1 1 1   14   41   12 o   18.339   1.5270  331.090   54.246  341.937   79.774  321.761   73.984   18.611   2.2082   18.067   2.1096 0.5441208 3.053916 
1 1 1   14   41   13 o   30.792   1.2339  966.833   68.416  1035.83   84.333  833.996  117.015   32.542   1.3350   29.042   2.0756 3.500280 2.467896 
1 1 1   14   41   14 o   6.4190   2.0337 -27.3901   52.311 -33.9907   76.093 -21.4752   72.032   6.3953   2.8866   6.4426   2.8656 -0.4736710E-01 4.067402 
1 1 1   14   41   15 o   25.234   1.1575  628.489   56.676  612.202   80.375  644.597   79.932   24.902   1.6627   25.565   1.6107 -0.6636791 2.314937 
1 1 1   14   41   16 o   9.9127   2.2995   94.276   52.685  140.372   78.215   55.989   71.282   11.455   3.3230   8.3709   3.1794 3.083603 4.598973 
1 1 1   14   41   17 o   8.9870   2.3250   73.051   52.568   83.825   79.806   64.792   69.867   9.4105   3.4024   8.5634   3.1694 0.8471451 4.649925 
1 1 1   14   41   18 o   20.340   1.4756  417.318   58.212  441.425   83.286  394.293   81.395   20.928   2.0501   19.753   2.1228 1.175133 2.951116 
1 1 1   14   41   19 o   29.814   1.0985  887.407   63.381  835.714   91.310  935.472   88.048   28.939   1.6255   30.690   1.4779 -1.751434 2.196907 
1 1 1   14   41   20 o   6.6756   2.1486 -32.6433   61.249 -44.0075   88.152 -22.0366   85.163   6.5514   3.0140   6.7998   3.0629 -0.2483735 4.297137 
1 1 1   14   42    0 o   15.191   2.3412  302.340   57.950  351.318   64.329   91.495  133.473   18.989   1.7452   11.393   4.3450 7.595477 4.682374 
1 1 1   14   42    1 o   34.462   1.2004  1140.45   68.476  1125.69   78.255  1188.68  141.461   34.025   1.1848   34.898   2.0882 -0.8728752 2.400899 
1 1 1   14   42    2 o   21.459   1.6948  396.064   60.652  351.599   68.311  561.673  131.834   18.990   1.8531   23.928   2.8382 -4.938644 3.389648 
1 1 1   14   42    3 o   15.706   2.3695  263.733   61.678  279.627   70.732  213.299  126.001   16.918   2.1537   14.494   4.2214 2.424951 4.739073 
1 1 1   14   42    4 o   28.139   1.3627  785.756   64.328  799.039   74.556  747.059  127.251   28.653   1.3404   27.624   2.3730 1.028521 2.725444 
1 1 1   14   42    5 o   34.416   1.1591  1113.16   68.109  1069.97   78.602  1243.32  136.441   33.160   1.2211   35.672   1.9704 -2.512173 2.318104 
1 1 1   14   42    6 o   31.366   1.2213  970.788   65.619  982.844   76.801  938.191  126.283   31.774   1.2452   30.957   2.1014 0.8163166 2.442630 
1 1 1   14   42    7 o   62.653   0.9064  3863.24  102.474  3934.52  124.493  3713.46  180.458   63.600   1.0084   61.705   1.5066 1.894810 1.812885 
1 1 1   14   42    8 o   16.919   1.9713  282.896   61.017  271.266   76.334  303.478  101.548   16.609   2.3677   17.229   3.1524 -0.6208687 3.942523 
1 1 1   14   42    9 o   41.801   0.7720  1698.73   62.536  1744.40   91.588  1658.85   85.594   42.324   1.1148   41.278   1.0682 1.045166 1.543967 
1 1 1   14   42   10 o   14.082   1.9497  214.392   51.941  319.672   71.954   99.840   75.055   18.032   2.0556   10.131   3.3136 7.901244 3.899388 
1 1 1   14   42   11 o   78.548   0.7979  6014.34  121.653  5991.22  172.462  6037.24  171.628   78.396   1.1333   78.699   1.1234 -0.3034821 1.595759 
1 1 1   14   42   12 o   16.716   1.7114  281.783   53.350  222.790   73.934  345.868   77.059   14.725   2.6855   18.707   2.1221 -3.981674 3.422754 
1 1 1   14   42   13 o   25.377   1.0819  637.837   52.803  574.747   77.468  692.583   72.164   24.170   1.6511   26.583   1.3984 -2.412834 2.163749 
1 1 1   14   42   14 o   12.740   2.1764  174.981   53.570  142.437   79.130  202.515   72.785   11.577   3.3377   13.903   2.7939 -2.325490 4.352700 
1 1 1   14   42   15 o   13.747   2.1227  199.868   55.146  231.712   79.853  170.835   76.248   14.848   2.8743   12.645   3.1244 2.203502 4.245408 
1 1 1   14   42   16 o   32.052   0.9939  1021.84   61.197  905.689   89.573  1123.51   83.807   30.286   1.5236   33.818   1.2766 -3.531763 1.987732 
1 1 1   14   42   17 o   11.726   2.3018  143.066   59.187  233.853   86.392   62.765   81.250   14.683   3.1269   8.7697   3.3788 5.913065 4.603690 
1 1 1   14   42   18 o   19.027   1.5987  368.773   59.005  375.368   85.329  362.730   81.682   19.177   2.2922   18.876   2.2292 0.3004284 3.197404 
1 1 1   14   42   19 o   25.024   1.3121  632.263   63.725  636.994   91.147  627.739   89.127   25.108   1.8701   24.940   1.8409 0.1678810 2.624171 
1 1 1   14   43    0 o   97.612   1.1324  9285.04  199.645  9292.29  241.627  9269.44  354.419   97.736   1.2736   97.489   1.8728 0.2474823 2.264836 
1 1 1   14   43    1 o   41.605   0.9821  1675.67   71.477  1663.92   84.292  1705.75  134.848   41.372   1.0496   41.839   1.6604 -0.4669113 1.964289 
1 1 1   14   43    2 o   60.182   0.9019  3544.86   97.583  3579.87  117.913  3468.78  173.841   60.685   1.0010   59.679   1.5006 1.006145 1.803804 
1 1 1   14   43    3 o   31.329   1.1471  979.122   62.401  1008.64   73.971  906.275  116.208   32.199   1.1835   30.459   1.9654 1.739887 2.294210 
1 1 1   14   43    4 o   64.970   0.9309  4105.19  107.235  4098.13  127.814  4121.96  197.069   64.918   1.0143   65.022   1.5613 -0.1044846 1.861832 
1 1 1   14   43    5 f   27.641   1.3576  742.893   64.502  738.056   75.285  756.244  125.075   27.520   1.4093   27.762   2.3209 -0.2418861 2.715223 
1 1 1   14   43    6 o   26.170   1.5225  698.047   66.923  727.530   78.186  617.259  129.425   27.314   1.4746   25.027   2.6641 2.287575 3.044991 
1 1 1   14   43    7 o   34.017   1.1423  1082.11   65.136  1038.02   74.431  1226.33  134.606   32.649   1.1744   35.384   1.9597 -2.735104 2.284653 
1 1 1   14   43    8 o   42.875   0.9837  1863.86   73.478  1964.90   87.901  1629.50  133.877   44.933   1.0078   40.818   1.6896 4.114567 1.967339 
1 1 1   14   43    9 f   39.848   0.9776  1523.45   70.634  1477.57   85.173  1624.52  126.404   38.942   1.1267   40.754   1.5978 -1.811630 1.955122 
1 1 1   14   43   10 o   26.755   1.4672  738.540   68.065  787.560   81.545  625.937  123.591   28.382   1.4801   25.127   2.5338 3.254765 2.934457 
1 1 1   14   43   11 o   19.964   1.3592  388.398   52.282  424.541   80.050  361.511   69.042   20.756   1.9868   19.172   1.8552 1.584076 2.718312 
1 1 1   14   43   12 o   26.916   1.0864  710.560   56.722  750.116   81.378  673.182   79.105   27.648   1.5163   26.184   1.5563 1.463820 2.172813 
1 1 1   14   43   13 o   21.082   1.3386  436.964   54.083  542.041   79.998  348.510   73.398   23.429   1.7590   18.735   2.0182 4.693153 2.677145 
1 1 1   14   43   14 o   22.190   1.2927  488.170   55.645  470.914   79.020  505.144   78.373   21.791   1.8681   22.590   1.7873 -0.7984390 2.585333 
1 1 1   14   43   15 o   19.439   1.4277  374.059   53.650  415.891   80.327  340.370   72.085   20.410   2.0275   18.468   2.0107 1.941628 2.855487 
1 1 1   14   43   16 o   10.040   2.2689  101.197   53.968  156.189   74.790   41.454   77.954   11.986   3.1669   8.0947   3.2500 3.890971 4.537848 
1 1 1   14   43   17 o   36.483   0.9413  1314.13   66.582  1338.52   92.425  1287.81   95.998   36.853   1.2920   36.114   1.3694 0.7386246 1.882652 
1 1 1   14   43   18 o   32.378   1.0150  1041.03   63.722  1011.25   91.466  1069.11   88.827   31.907   1.4767   32.849   1.3930 -0.9414330 2.030081 
1 1 1   14   43   19 o   34.032   1.0421  1153.17   68.800  1177.85   99.395  1130.47   95.329   34.372   1.4897   33.693   1.4576 0.6794243 2.084139 
1 1 1   14   44    0 o   30.509   1.2466  904.663   60.762  902.113   68.597  913.951  130.918   30.453   1.1604   30.564   2.2066 -0.1108036 2.493122 
1 1 1   14   44    1 f   56.250   0.9345  3115.85   91.569  3162.33  108.302  2999.31  171.484   57.033   0.9782   55.468   1.5926 1.565342 1.869083 
1 1 1   14   44    2 o   18.530   1.9727  343.163   59.524  343.136   68.816  343.241  118.615   18.741   1.8917   18.320   3.4623 0.4210720 3.945404 
1 1 1   14   44    3 o   49.242   0.9519  2383.44   81.822  2411.85   96.828  2312.49  153.014   49.800   1.0016   48.685   1.6191 1.114674 1.903876 
1 1 1   14   44    4 o   55.642   0.8912  3009.15   88.187  3000.36  105.317  3029.79  161.314   55.544   0.9768   55.741   1.4908 -0.1975136 1.782340 
1 1 1   14   44    5 o   56.287   0.9395  3079.78   92.865  3069.88  109.912  3104.50  173.604   56.176   1.0079   56.397   1.5858 -0.2215271 1.878977 
1 1 1   14   44    6 o   23.315   1.4817  525.330   62.255  512.328   74.771  554.713  112.401   22.896   1.6823   23.734   2.4396 -0.8384781 2.963447 
1 1 1   14   44    7 o   38.864   1.0658  1433.12   73.254  1376.80   86.416  1576.94  138.087   37.591   1.1842   40.136   1.7724 -2.544960 2.131590 
1 1 1   14   44    8 o   10.116   2.4453   99.579   59.081  131.300   68.248   4.7246  118.018   11.282   3.0454   8.9507   3.8267 2.331041 4.890602 
1 1 1   14   44    9 o   21.216   1.5937  459.823   58.910  482.357   70.429  407.336  107.488   22.195   1.6347   20.237   2.7363 1.958305 3.187376 
1 1 1   14   44   10 o   35.822   1.0951  1247.21   70.485  1231.70   84.686  1282.18  127.157   35.522   1.2281   36.122   1.8134 -0.5997696 2.190189 
1 1 1   14   44   11 o   10.713   2.6308  104.817   62.684   95.377   74.881  126.925  114.592   9.8856   3.3127   11.541   4.0879 -1.655602 5.261631 
1 1 1   14   44   12 o   35.970   1.0376  1292.69   68.914  1348.68   86.277  1194.03  114.540   37.133   1.1969   34.806   1.6953 2.327797 2.075233 
1 1 1   14   44   13 o   10.092   2.2728  104.396   51.606   70.105   76.382  133.195   69.999   8.9827   3.3160   11.202   3.1091 -2.219595 4.545636 
1 1 1   14   44   14 o   28.904   1.0404  825.932   58.036  783.210   85.444  862.523   79.075   28.182   1.5619   29.627   1.3750 -1.445200 2.080871 
1 1 1   14   44   15 o   7.5134   2.2180   20.238   54.220   0.4039   81.906   35.709   72.339   7.2664   3.1479   7.7604   3.1255 -0.4940033 4.435980 
1 1 1   14   44   16 o   25.429   1.2296  644.472   60.683  659.334   85.732  629.550   85.906   25.732   1.7164   25.127   1.7612 0.6047421 2.459230 
1 1 1   14   44   17 o   11.093   2.4220  133.001   60.271  186.683   85.061   78.874   85.413   12.921   3.3599   9.2655   3.4894 3.655396 4.844067 
1 1 1   14   44   18 o   15.743   2.0754  271.502   61.453  234.656   89.668  304.134   84.386   14.428   3.2764   17.058   2.5484 -2.630627 4.150832 
1 1 1   14   45    0 f   27.983   1.3448  761.331   58.695  758.524   65.686  772.451  130.740   27.915   1.2122   28.051   2.4010 -0.1365299 2.689633 
1 1 1   14   45    1 o   11.162   2.5886  116.225   56.377  117.787   63.019  109.962  126.165   10.749   2.9368   11.575   4.2637 -0.8255672 5.177268 
1 1 1   14   45    2 o   18.016   2.0290  300.143   59.858  276.960   68.183  378.065  125.002   16.815   2.0889   19.216   3.4791 -2.401499 4.058055 
1 1 1   14   45    3 o   26.910   1.4136  701.340   64.099  693.591   73.939  724.783  128.596   26.672   1.4281   27.149   2.4401 -0.4766006 2.827296 
1 1 1   14   45    4 o   19.719   1.8466  355.404   61.857  328.489   70.724  443.010  127.596   18.312   1.9896   21.125   3.1115 -2.813482 3.693220 
1 1 1   14   45    5 o   7.5346   2.3463 -12.0586   61.322   3.4864   71.666 -54.5559  118.494   7.0677   3.0007   8.0015   3.6077 -0.9338589 4.692547 
1 1 1   14   45    6 o   33.847   1.1020  1083.75   67.149  1028.18   80.112  1214.99  123.120   32.474   1.2709   35.221   1.8008 -2.746941 2.204082 
1 1 1   14   45    7 o   65.779   0.9249  4196.39  110.418  4150.88  133.839  4293.39  195.388   65.284   1.0561   66.275   1.5188 -0.9902725 1.849858 
1 1 1   14   45    8 o   32.232   1.2074  985.257   68.493  942.884   80.478  1096.59  130.451   31.076   1.3341   33.388   2.0127 -2.312115 2.414732 
1 1 1   14   45    9 o   20.093   1.7855  370.174   65.420  317.361   78.000  495.455  120.134   17.914   2.2431   22.273   2.7786 -4.358759 3.570993 
1 1 1   14   45   10 o   24.852   1.3698  608.796   64.011  606.280   81.003  612.979  104.454   24.835   1.6802   24.869   2.1637 -0.3384972E-01 2.739524 
1 1 1   14   45   11 o   23.510   1.6552  599.764   66.183  672.529   79.957  441.418  117.950   26.154   1.5749   20.867   2.9118 5.286514 3.310467 
1 1 1   14   45   12 o   9.8852   2.4690   62.547   63.006  -3.5898   79.896  171.322  102.463   7.1554   3.1044   12.615   3.8401 -5.459552 4.937981 
1 1 1   14   45   13 o   14.777   2.4843  221.270   67.040  187.755   81.462  291.596  118.004   13.237   3.2046   16.317   3.7970 -3.079699 4.968572 
1 1 1   14   45   14 o   20.441   1.6970  426.724   65.524  442.301   84.586  403.351  103.612   21.017   2.0733   19.864   2.6870 1.152832 3.393916 
1 1 1   14   45   15 o   8.5908   2.4899 -10.9242   67.382 -77.7368   81.892  129.132  118.567   5.8801   2.7706   11.301   4.1378 -5.421329 4.979738 
1 1 1   14   45   16 f   19.545   1.5528  387.658   58.913  383.452   82.784  391.974   83.856   19.439   2.1939   19.652   2.1982 -0.2131252 3.105665 
1 1 1   14   45   17 o   12.328   2.3722  175.183   59.047  138.218   91.415  201.646   77.347   11.127   3.6578   13.529   3.0216 -2.401716 4.744394 
1 1 1   14   46    0 o   7.7837   2.2235   23.783   54.188   63.865   62.703 -94.4729  107.701   8.5643   3.0249   7.0031   3.2598 1.561175 4.447046 
1 1 1   14   46    1 o   10.870   2.5026   98.962   56.074   74.726   65.977  162.005  106.413   9.0539   3.1089   12.686   3.9227 -3.632098 5.005273 
1 1 1   14   46    2 f   11.356   2.4929  112.159   55.641   88.601   65.006  176.710  107.608   9.5611   3.0806   13.151   3.9202 -3.590375 4.985759 
1 1 1   14   46    3 o   46.035   0.9338  2139.30   76.139  2259.54   92.152  1880.63  135.158   48.191   0.9851   43.880   1.5868 4.311008 1.867683 
1 1 1   14   46    4 o   51.810   0.9367  2616.97   86.352  2615.96  103.244  2619.32  157.538   51.842   1.0259   51.777   1.5674 0.6462479E-01 1.873314 
1 1 1   14   46    5 o   29.006   1.2886  787.815   63.801  750.193   73.502  902.796  128.495   27.726   1.3657   30.287   2.1856 -2.561182 2.577179 
1 1 1   14   46    6 o   60.360   0.9495  3630.07  102.702  3758.13  124.655  3359.45  181.210   62.121   1.0337   58.599   1.5930 3.522099 1.899039 
1 1 1   14   46    7 o   37.827   1.0691  1362.36   71.785  1310.65   84.943  1491.57  134.274   36.659   1.1937   38.994   1.7739 -2.335434 2.138109 
1 1 1   14   46    8 o   16.592   2.0263  261.100   61.578  218.706   75.227  347.189  107.200   14.579   2.7591   18.604   2.9684 -4.024831 4.052657 
1 1 1   14   46    9 o   12.604   2.2872  185.728   64.793  259.857   77.801   17.950  117.047   16.140   2.4833   9.0688   3.8417 7.070975 4.574436 
1 1 1   14   46   10 o   32.776   1.1427  1047.77   68.700  1029.60   84.040  1084.35  119.275   32.421   1.3354   33.131   1.8546 -0.7104683 2.285312 
1 1 1   14   46   11 o   12.318   2.5338  146.559   61.485  111.652   74.427  221.578  109.110   10.401   3.2906   14.236   3.8539 -3.835043 5.067602 
1 1 1   14   46   12 o   16.402   2.2376  308.660   62.982  350.102   75.972  217.587  112.625   18.738   2.0886   14.067   3.9579 4.671695 4.475195 
1 1 1   14   46   13 o   25.008   1.5238  658.220   67.368  715.592   82.427  542.790  116.918   26.917   1.5775   23.099   2.6075 3.817984 3.047596 
1 1 1   14   46   14 o   26.680   1.3758  733.198   66.163  775.644   81.393  650.515  113.598   28.015   1.4967   25.345   2.3090 2.670334 2.751632 
1 1 1   14   46   15 o   22.793   1.7931  562.958   70.248  607.606   84.378  462.118  126.809   24.675   1.7616   20.912   3.1238 3.762453 3.586292 
1 1 1   14   46   16 o   22.328   1.7063  506.953   71.036  491.520   88.445  535.003  119.239   22.022   2.0689   22.633   2.7140 -0.6107655 3.412668 
1 1 1   14   46   17 o   8.4163   2.4673   32.629   71.238   89.149   86.977 -82.5504  124.164   9.4813   3.5309   7.3513   3.4473 2.130033 4.934665 
1 1 1   14   47    0 f   9.3187   2.5779   38.734   58.419   19.128   66.252  107.246  123.848   7.2297   2.9616   11.408   4.2202 -4.178103 5.155704 
1 1 1   14   47    1 o   9.6259   2.4838   80.799   56.333   98.621   63.337   13.325  123.237   9.9280   3.0185   9.3238   3.9454 0.6042461 4.967674 
1 1 1   14   47    2 o   18.229   2.0883  367.791   57.500  393.913   65.615  281.348  119.362   20.068   1.6844   16.390   3.8219 3.677595 4.176630 
1 1 1   14   47    3 o   31.759   1.1954  987.563   66.160  988.208   78.008  985.912  124.872   31.835   1.2623   31.682   2.0304 0.1525707 2.390819 
1 1 1   14   47    4 o   9.9862   2.3638   93.771   60.164  145.778   72.771 -18.5506  106.945   11.865   3.1186   8.1077   3.5532 3.757032 4.727672 
1 1 1   14   47    5 o   57.820   0.9083  3337.74   95.976  3504.38  119.041  3028.24  162.234   59.986   1.0223   55.654   1.5017 4.332684 1.816643 
1 1 1   14   47    6 o   21.134   1.7561  470.290   61.025  499.182   71.065  389.153  119.089   22.575   1.6217   19.692   3.1154 2.882505 3.512157 
1 1 1   14   47    7 o   39.066   1.0819  1463.77   74.134  1423.88   87.202  1567.76  140.792   38.198   1.1760   39.933   1.8163 -1.734646 2.163763 
1 1 1   14   47    8 o   41.028   1.0021  1618.27   74.752  1564.16   90.311  1736.02  133.214   40.021   1.1625   42.036   1.6325 -2.015869 2.004131 
1 1 1   14   47    9 o   19.574   1.8290  394.522   65.200  416.598   80.924  353.678  110.071   20.499   2.0336   18.648   3.0407 1.851313 3.658067 
1 1 1   14   47   10 o   10.874   2.6108  120.994   65.680  141.474   80.141   79.097  114.626   11.545   3.3678   10.204   3.9903 1.341744 5.221520 
1 1 1   14   47   11 o   8.2599   2.4097   31.126   61.804   37.882   79.497   20.804   98.264   8.1343   3.2763   8.3856   3.5344 -0.2513809 4.819331 
1 1 1   14   47   12 o   17.852   2.1541  325.168   68.246  309.724   82.605  358.375  121.127   17.512   2.4300   18.192   3.5574 -0.6803417 4.308181 
1 1 1   14   47   13 o   33.858   1.1123  1139.49   70.797  1155.80   90.003  1113.02  114.658   34.262   1.3533   33.455   1.7655 0.8068047 2.224507 
1 1 1   14   47   14 o   19.636   2.0239  409.381   67.912  415.969   81.335  394.214  123.412   20.324   2.0616   18.949   3.4835 1.375473 4.047826 
1 1 1   14   47   15 o   13.953   2.5811  211.504   66.539  195.021   79.664  249.537  121.010   13.309   3.1351   14.596   4.1011 -1.286763 5.162157 
1 1 1   14   47   16 o   14.109   2.5845  224.134   70.831  186.614   92.105  278.441  110.810   12.732   3.5781   15.486   3.7305 -2.753813 5.169100 
1 1 1   14   48    0 o   40.239   0.9606  1582.54   68.810  1586.38   82.356  1573.66  125.233   40.363   1.0511   40.115   1.6082 0.2485237 1.921253 
1 1 1   14   48    1 o   10.953   2.5031  117.475   55.791  122.191   64.137  102.809  113.105   10.897   2.9568   11.008   4.0397 -0.1117239 5.006201 
1 1 1   14   48    2 o   9.7016   2.5642   72.197   58.755   69.019   68.077   81.476  116.329   8.8669   3.1497   10.536   4.0472 -1.669381 5.128402 
1 1 1   14   48    3 o   16.048   2.2417  238.290   60.824  206.016   70.284  334.558  121.388   14.194   2.6483   17.901   3.6177 -3.706902 4.483443 
1 1 1   14   48    4 o   37.915   1.0994  1400.53   70.980  1393.81   82.451  1419.77  139.502   37.814   1.1232   38.016   1.8904 -0.2020607 2.198899 
1 1 1   14   48    5 o   33.430   1.1632  1083.28   68.697  1066.36   81.425  1125.06  127.965   33.049   1.2692   33.811   1.9497 -0.7626495 2.326403 
1 1 1   14   48    6 o   7.8101   2.4301 -19.1234   62.622 -32.2723   72.621   19.006  123.665   6.2873   2.8305   9.3329   3.9510 -3.045606 4.860252 
1 1 1   14   48    7 o   45.042   0.9812  1951.07   77.907  1902.86   92.005  2073.24  146.457   44.158   1.0733   45.926   1.6428 -1.767811 1.962379 
1 1 1   14   48    8 o   23.666   1.5291  536.570   62.959  512.326   73.435  603.828  122.311   22.811   1.6584   24.521   2.5696 -1.710155 3.058275 
1 1 1   14   48    9 o   26.057   1.4246  686.584   63.712  700.964   74.917  649.005  121.104   26.708   1.4450   25.406   2.4556 1.302105 2.849213 
1 1 1   14   48   10 o   29.921   1.2853  868.488   68.678  841.031   81.800  934.071  126.422   29.248   1.4408   30.593   2.1288 -1.345095 2.570518 
1 1 1   14   48   11 o   13.336   2.4879  201.448   64.500  224.927   78.841  153.931  112.161   14.597   2.8847   12.074   4.0543 2.522771 4.975812 
1 1 1   14   48   12 o   8.7116   2.5007   45.554   66.401   74.609   80.623 -15.7133  117.075   9.1537   3.4013   8.2695   3.6668 0.8841496 5.001478 
1 1 1   14   48   13 o   19.926   1.8011  414.095   66.613  435.593   84.385  378.546  108.512   20.797   2.0903   19.055   2.9336 1.741873 3.602123 
1 1 1   14   48   14 o   8.8926   2.5734   25.444   68.782 -19.2206   84.038  116.078  119.712   6.8975   3.0796   10.888   4.1238 -3.990295 5.146808 
1 1 1   14   48   15 o   30.200   1.3948  924.728   79.172  931.332  100.542  913.950  128.447   30.501   1.6981   29.898   2.2132 0.6025410 2.789564 
1 1 1   14   48   16 o   10.188   2.5190   96.254   73.026  191.521   95.689 -36.6179  113.007   12.801   3.6645   7.5738   3.4574 5.227681 5.038036 
1 1 1   14   49    0 o   28.441   1.3256  781.680   61.586  771.318   69.998  817.186  129.570   28.115   1.2826   28.766   2.3204 -0.6508656 2.651243 
1 1 1   14   49    1 o   26.519   1.3495  675.379   60.768  659.448   70.183  723.092  121.460   25.982   1.3915   27.055   2.3127 -1.072832 2.699041 
1 1 1   14   49    2 o   23.175   1.5094  540.185   60.016  553.299   70.582  505.954  114.033   23.780   1.5290   22.569   2.6029 1.211180 3.018745 
1 1 1   14   49    3 o   76.114   0.9706  5636.86  133.505  5594.03  161.351  5729.85  237.729   75.752   1.0973   76.477   1.6013 -0.7252350 1.941216 
1 1 1   14   49    4 o   55.893   0.9333  3067.87   92.627  3090.06  110.799  3016.36  168.799   56.310   1.0136   55.477   1.5674 0.8321953 1.866640 
1 1 1   14   49    5 o   30.047   1.3322  899.598   67.399  909.674   78.192  870.468  132.947   30.497   1.3208   29.598   2.3139 0.8986645 2.664379 
1 1 1   14   49    6 o   38.146   1.0985  1444.90   74.239  1468.91   88.909  1389.60  134.917   38.770   1.1814   37.522   1.8523 1.247395 2.196962 
1 1 1   14   49    7 o   33.420   1.2068  1101.21   72.472  1101.39   87.386  1100.82  129.702   33.523   1.3429   33.317   2.0054 0.2058449 2.413521 
1 1 1   14   49    8 o   15.979   2.3074  264.944   64.688  259.927   76.963  277.019  119.393   16.071   2.4670   15.888   3.9001 0.1838245 4.614871 
1 1 1   14   49    9 o   27.129   1.3645  682.812   64.958  624.755   75.620  846.260  126.882   25.184   1.5468   29.073   2.2482 -3.889626 2.728961 
1 1 1   14   49   10 o   8.3820   2.4501   29.896   63.032   18.675   79.583   48.784  103.251   7.6273   3.1959   9.1368   3.7147 -1.509419 4.900289 
1 1 1   14   49   11 o   31.545   1.2775  977.068   70.735  960.056   83.505  1020.28  133.094   31.226   1.3776   31.865   2.1517 -0.6390152 2.554954 
1 1 1   14   49   12 o   22.902   1.5414  532.994   65.802  542.772   82.861  516.300  108.270   23.319   1.8305   22.485   2.4806 0.8340054 3.082866 
1 1 1   14   49   13 o   24.280   1.6842  631.197   71.303  678.763   86.242  528.445  126.754   26.095   1.7026   22.466   2.9065 3.628763 3.368452 
1 1 1   14   49   14 o   18.890   2.0761  359.169   73.630  308.600   91.093  454.475  125.055   17.171   2.7329   20.608   3.1260 -3.437271 4.152175 
1 1 1   14   49   15 f   10.463   2.6562  117.362   73.981  166.411   91.599   25.330  125.470   11.996   3.6262   8.9304   3.8824 3.065383 5.312476 
1 1 1   14   50    0 o   21.284   1.7231  457.915   60.799  466.454   70.178  432.220  121.731   21.812   1.6575   20.756   3.0213 1.056410 3.446113 
1 1 1   14   50    1 o   25.543   1.4170  571.665   62.685  496.771   71.898  809.017  127.994   22.506   1.6457   28.580   2.3071 -6.073046 2.833916 
1 1 1   14   50    2 o   70.209   0.9750  4822.06  120.695  4822.86  143.398  4820.11  223.519   70.333   1.0503   70.085   1.6429 0.2474136 1.949982 
1 1 1   14   50    3 o   31.952   1.2665  1025.50   69.295  1050.25   81.392  960.296  132.104   32.776   1.2793   31.127   2.1863 1.649487 2.533075 
1 1 1   14   50    4 o   38.866   1.0319  1454.11   70.692  1417.81   83.479  1546.13  132.912   38.104   1.1286   39.629   1.7278 -1.525162 2.063738 
1 1 1   14   50    5 o   27.048   1.2870  708.351   64.592  676.878   79.561  769.203  110.629   26.244   1.5618   27.852   2.0462 -1.608845 2.574085 
1 1 1   14   50    6 o   10.395   2.5976  104.637   63.776  119.401   76.205   70.120  116.518   10.724   3.3201   10.066   3.9960 0.6580906 5.195279 
1 1 1   14   50    7 o   12.113   2.6258  152.198   63.830  146.290   76.313  165.957  116.460   11.711   3.2449   12.515   4.1292 -0.8033094 5.251657 
1 1 1   14   50    8 o   6.0746   2.0008 -78.8425   60.004 -19.2988   73.978 -193.3468  102.588   6.5535   2.9099   5.5957   2.7469 0.9577866 4.001627 
1 1 1   14   50    9 o   47.867   1.0195  2282.26   86.662  2324.50  104.035  2186.51  156.640   48.739   1.0996   46.995   1.7170 1.743019 2.038966 
1 1 1   14   50   10 o   7.1727   2.2303 -15.4540   61.757   27.518   75.664 -101.2106  106.888   7.6655   3.1554   6.6800   3.1529 0.9855022 4.460649 
1 1 1   14   50   11 o   21.292   1.7335  429.453   64.293  391.486   74.511  540.103  127.202   19.773   1.9413   22.811   2.8726 -3.038700 3.467062 
1 1 1   14   50   12 o   19.251   1.9524  401.622   65.837  431.048   81.774  347.405  110.999   20.683   2.0367   17.819   3.3315 2.864531 3.904796 
1 1 1   14   50   13 o   11.417   2.7803  135.135   71.411  112.954   87.471  179.467  123.660   10.332   3.5778   12.503   4.2568 -2.170094 5.560659 
1 1 1   14   50   14 o   17.921   2.2562  388.434   71.966  533.367   95.816  200.851  109.006   22.824   2.1627   13.019   3.9603 9.804973 4.512341 
1 1 1   14   51    0 o   22.256   1.5656  469.157   60.560  443.330   70.442  542.327  118.566   21.233   1.7091   23.280   2.6237 -2.047115 3.131250 
1 1 1   14   51    1 o   22.557   1.4973  497.788   59.807  488.566   70.998  520.322  110.981   22.295   1.6405   22.820   2.5054 -0.5241184 2.994688 
1 1 1   14   51    2 o   32.912   1.1151  1025.46   64.638  975.541   75.906  1157.16  123.294   31.584   1.2381   34.240   1.8550 -2.655365 2.230202 
1 1 1   14   51    3 o   16.302   2.3531  313.907   61.026  344.718   69.445  209.457  127.863   18.670   1.9162   13.935   4.2984 4.734603 4.706200 
1 1 1   14   51    4 o   52.459   0.9696  2693.46   90.106  2685.80  107.351  2711.72  165.762   52.443   1.0545   52.475   1.6273 -0.3146362E-01 1.939112 
1 1 1   14   51    5 o   14.441   2.2895  253.572   59.818  300.159   70.285  131.168  113.928   17.361   2.0856   11.521   4.0765 5.839844 4.579051 
1 1 1   14   51    6 o   9.8374   2.5430   87.319   60.991   88.489   74.662   84.971  105.745   9.5571   3.3057   10.118   3.8653 -0.5606737 5.086089 
1 1 1   14   51    7 o   20.492   1.8385  424.868   66.155  424.830   78.541  424.960  122.733   20.672   1.9572   20.311   3.1129 0.3612366 3.677076 
1 1 1   14   51    8 o   16.031   2.3457  260.121   66.338  231.758   79.406  325.656  120.700   14.821   2.8636   17.240   3.7161 -2.418707 4.691408 
1 1 1   14   51    9 o   22.268   1.6760  468.348   69.196  395.422   84.015  622.142  122.007   19.825   2.1832   24.711   2.5435 -4.886671 3.351919 
1 1 1   14   51   10 o   15.927   2.4608  292.801   69.790  319.332   83.332  230.483  127.715   17.706   2.4245   14.147   4.2830 3.558546 4.921587 
1 1 1   14   51   11 o   20.584   1.7527  443.293   66.070  465.551   82.433  403.308  110.486   21.522   1.9731   19.645   2.8972 1.876436 3.505319 
1 1 1   14   51   12 o   13.348   2.5859  216.865   70.904  257.845   86.297  131.724  124.387   15.413   2.9921   11.282   4.2183 4.131555 5.171778 
1 1 1   14   51   13 o   8.3103   2.5485   9.1646   72.511 -15.6484   89.399   56.878  123.969   7.1085   3.1748   9.5121   3.9874 -2.403553 5.096947 
1 1 1   14   52    0 o   10.664   2.6057  109.234   59.876  112.727   68.604   98.069  122.668   10.430   3.1349   10.897   4.1631 -0.4672346 5.211424 
1 1 1   14   52    1 o   46.775   1.0133  2170.61   81.147  2197.95   94.984  2096.76  156.133   47.451   1.0312   46.100   1.7447 1.350864 2.026698 
1 1 1   14   52    2 o   20.042   1.7884  362.458   60.476  324.815   68.637  493.118  127.876   18.098   1.9537   21.986   2.9962 -3.887827 3.576879 
1 1 1   14   52    3 o   46.429   0.9665  2140.79   78.929  2176.59   94.048  2055.50  145.157   47.206   1.0263   45.653   1.6380 1.553646 1.932948 
1 1 1   14   52    4 o   23.221   1.5438  524.614   61.841  508.238   71.998  570.679  120.757   22.695   1.6343   23.746   2.6197 -1.050974 3.087659 
1 1 1   14   52    5 o   15.988   2.3877  255.772   65.652  232.083   76.836  319.843  126.363   14.906   2.7569   17.069   3.8991 -2.162423 4.775338 
1 1 1   14   52    6 o   28.144   1.3230  719.407   65.529  638.546   76.124  950.765  128.764   25.453   1.5407   30.835   2.1512 -5.382626 2.646019 
1 1 1   14   52    7 o   23.317   1.5361  547.567   65.125  551.643   79.570  539.298  113.346   23.587   1.7379   23.048   2.5334 0.5382404 3.072185 
1 1 1   14   52    8 o   19.916   2.0750  424.559   68.583  436.868   81.007  393.406  128.872   20.892   1.9974   18.939   3.6376 1.953114 4.149905 
1 1 1   14   52    9 o   15.158   2.3892  235.161   65.742  194.536   80.219  318.252  114.726   13.368   3.1441   16.948   3.5984 -3.580578 4.778458 
1 1 1   14   52   10 o   28.079   1.4836  797.389   73.638  799.553   87.877  792.286  134.938   28.373   1.5955   27.786   2.5018 0.5869255 2.967240 
1 1 1   14   52   11 o   13.412   2.6097  202.876   68.555  196.034   86.597  214.363  112.209   13.239   3.3631   13.585   3.9914 -0.3463049 5.219383 
1 1 1   14   52   12 o   9.7554   2.7730   75.298   76.197   64.028   92.666   98.826  133.891   8.9522   3.5605   10.558   4.2522 -1.606242 5.546054 
1 1 1   14   52   13 o   6.0845   2.1204 -230.0598   89.618 -285.8140  128.509 -177.2749  125.040   5.7486   2.8658   6.4204   3.1259 -0.6717629 4.240801 
1 1 1   14   53    0 o   15.948   2.2127  257.678   61.501  245.608   72.829  287.680  114.823   15.635   2.3996   16.261   3.7185 -0.6255579 4.425487 
1 1 1   14   53    1 o   15.313   2.2448  261.681   59.625  284.010   70.863  207.547  110.336   16.863   2.1648   13.763   3.9333 3.099451 4.489664 
1 1 1   14   53    2 o   9.3700   2.3528   79.491   60.885  131.299   69.868 -84.0165  124.121   11.126   3.1128   7.6144   3.5290 3.511234 4.705629 
1 1 1   14   53    3 f   16.764   2.2537  233.131   65.283  159.348   74.771  469.785  133.909   12.215   3.1369   21.313   3.2367 -9.097735 4.507357 
1 1 1   14   53    4 o   34.986   1.1349  1174.31   68.792  1135.19   80.210  1283.11  133.778   34.038   1.2140   35.935   1.9178 -1.897221 2.269718 
1 1 1   14   53    5 o   29.235   1.2305  846.808   63.637  846.715   75.837  847.031  116.994   29.357   1.3308   29.113   2.0702 0.2437553 2.461050 
1 1 1   14   53    6 o   13.666   2.6450  205.396   67.619  206.779   79.477  201.771  128.673   13.891   3.0326   13.441   4.3345 0.4494743 5.290023 
1 1 1   14   53    7 o   10.192   2.3898  -8.1797   63.678 -107.2823   74.337  265.000  123.420   5.1351   2.4787   15.248   4.0866 -10.11331 4.779591 
1 1 1   14   53    8 o   10.307   2.4251   13.531   65.574 -87.3574   77.822  260.540  121.768   5.5498   2.6402   15.064   4.0685 -9.513882 4.850132 
1 1 1   14   53    9 o   13.957   2.6462  188.989   69.434  132.922   82.289  327.573  129.374   11.036   3.4556   16.878   4.0084 -5.842442 5.292315 
1 1 1   14   53   10 o   9.0487   2.5204   63.717   67.163   98.273   83.559   0.6375  112.894   9.8242   3.4895   8.2732   3.6376 1.550997 5.040712 
1 1 1   14   53   11 o   11.387   2.7207  150.932   75.166  190.346   90.097   60.688  136.332   12.904   3.5057   9.8701   4.1617 3.034349 5.441472 
1 1 1   14   53   12 o   9.7703   2.7183   84.641   73.458   71.455   92.457  107.212  120.966   9.0844   3.5744   10.456   4.0964 -1.371732 5.436553 
1 1 1   14   54    0 f   28.661   1.3867  814.065   66.619  811.616   76.872  821.455  133.517   28.746   1.3776   28.576   2.4070 0.1704559 2.773344 
1 1 1   14   54    1 o   13.799   2.3558  239.837   62.048  287.691   71.111   87.184  127.008   16.965   2.1593   10.634   4.1876 6.331287 4.711554 
1 1 1   14   54    2 o   14.847   2.3613  255.049   62.855  286.179   74.425  177.616  117.379   16.885   2.2707   12.810   4.1408 4.074352 4.722545 
1 1 1   14   54    3 o   15.269   2.3443  289.229   64.721  348.942   76.943  144.765  119.678   18.669   2.1231   11.868   4.1804 6.800965 4.688647 
1 1 1   14   54    4 o   8.5934   2.4313   45.630   63.898   87.509   73.698 -81.1830  128.245   9.4485   3.2834   7.7383   3.5866 1.710145 4.862591 
1 1 1   14   54    5 o   19.568   1.8792  347.790   65.730  285.938   76.826  516.734  126.969   16.802   2.3555   22.334   2.9287 -5.531887 3.758408 
1 1 1   14   54    6 o   12.892   2.3512  195.811   61.248  234.418   73.379  107.132  111.211   15.152   2.4947   10.632   3.9861 4.520043 4.702399 
1 1 1   14   54    7 o   16.830   2.3927  308.546   68.839  310.200   80.906  304.208  131.023   17.442   2.3896   16.218   4.1460 1.224329 4.785314 
1 1 1   14   54    8 o   14.400   2.4199  218.322   62.696  196.161   75.130  269.151  113.783   13.449   2.9582   15.351   3.8306 -1.902196 4.839898 
1 1 1   14   54    9 o   13.007   2.5852  206.496   68.351  237.359   80.457  126.453  129.571   14.811   2.9023   11.204   4.2791 3.606252 5.170461 
1 1 1   14   54   10 o   7.0557   2.3314 -91.7094   72.103 -136.8844   87.032   7.1445  128.745   5.3438   2.6031   8.7676   3.8685 -3.423787 4.662797 
1 1 1   14   54   11 o   16.059   2.5051  337.843   76.563  419.413   93.152  168.007  134.414   20.099   2.3875   12.019   4.4049 8.080695 5.010290 
1 1 1   14   55    0 o   7.3426   2.2442  -2.0215   59.848   36.434   72.450 -84.6434  106.195   7.8076   3.1337   6.8776   3.2132 0.9300117 4.488311 
1 1 1   14   55    1 o   8.1964   2.4683   3.6725   61.920 -19.4425   72.307   67.244  119.911   6.4408   2.8675   9.9520   4.0184 -3.511220 4.936627 
1 1 1   14   55    2 o   8.8461   2.5617   47.490   65.025   57.166   75.796   20.513  126.554   8.5008   3.2665   9.1915   3.9470 -0.6906986 5.123351 
1 1 1   14   55    3 o   28.181   1.4143  772.765   69.917  743.726   82.152  849.062  133.163   27.424   1.5432   28.939   2.3705 -1.515388 2.828536 
1 1 1   14   55    4 o   17.421   2.1385  328.365   64.052  340.034   77.094  302.355  115.095   18.364   2.1626   16.478   3.6900 1.886509 4.277069 
1 1 1   14   55    5 o   6.9999   2.2790 -40.8651   65.710 -14.5898   75.926 -119.2696  131.156   6.6671   2.9548   7.3327   3.4706 -0.6656628 4.558080 
1 1 1   14   55    6 o   12.265   2.2988  183.424   66.202  256.778   78.842   8.0688  121.900   15.796   2.5713   8.7335   3.8113 7.062045 4.597585 
1 1 1   14   55    7 o   25.263   1.4630  606.257   65.950  551.678   77.684  747.111  124.797   23.513   1.7020   27.012   2.3800 -3.499306 2.925945 
1 1 1   14   55    8 o   32.013   1.3130  996.577   71.311  961.675   82.215  1102.60  143.291   31.178   1.3585   32.848   2.2472 -1.670307 2.625912 
1 1 1   14   55    9 o   15.955   2.4464  273.817   71.537  227.636   89.036  357.926  120.158   14.217   3.2913   17.693   3.6205 -3.476783 4.892861 
1 1 1   14   55   10 o   12.786   2.8493  173.330   75.329  126.771   90.757  276.437  135.060   10.668   3.6467   14.905   4.3790 -4.237178 5.698552 
1 1 1   14   56    0 o   7.8629   2.4509 -17.1638   63.899 -38.1105   74.069   43.791  126.352   6.1468   2.8033   9.5789   4.0210 -3.432067 4.901711 
1 1 1   14   56    1 o   12.081   2.6436  156.960   64.219  154.187   75.936  163.925  120.337   11.895   3.2129   12.267   4.1991 -0.3717585 5.287258 
1 1 1   14   56    2 o   20.524   1.7204  421.168   63.896  406.883   77.005  452.745  114.486   20.146   1.9691   20.903   2.8215 -0.7570438 3.440708 
1 1 1   14   56    3 f   14.656   2.6165  226.061   68.103  206.341   79.532  280.267  131.858   13.796   3.0507   15.516   4.2518 -1.720033 5.233001 
1 1 1   14   56    4 o   15.556   2.4966  261.758   67.570  257.382   78.568  274.188  132.427   15.820   2.5584   15.291   4.2880 0.5292454 4.993239 
1 1 1   14   56    5 o   10.518   2.6338  113.623   65.053  114.508   79.678  111.853  112.659   10.357   3.4154   10.680   4.0104 -0.3230371 5.267625 
1 1 1   14   56    6 f   9.1867   2.6011   65.763   68.604   84.583   81.638   20.535  126.559   9.3589   3.4324   9.0145   3.9091 0.3443689 5.202182 
1 1 1   14   56    7 o   18.397   2.1959  365.061   70.525  362.171   85.176  371.362  125.773   18.768   2.3380   18.026   3.7178 0.7415581 4.391863 
1 1 1   14   56    8 o   8.1703   2.5647 -11.7853   74.551 -39.3510   89.125   52.444  136.044   6.6774   3.0566   9.6632   4.1193 -2.985863 5.129494 
1 1 1   14   57    0 o   11.468   2.5721  139.932   60.774  134.471   72.676  152.632  110.827   11.109   3.1975   11.826   4.0298 -0.7171631 5.144264 
1 1 1   14   57    1 o   10.888   2.5294  134.295   64.651  169.094   74.913   32.742  127.976   12.434   3.1113   9.3412   3.9890 3.092787 5.058880 
1 1 1   14   57    2 o   9.5771   2.6592   73.627   65.056   71.198   74.995   81.014  130.770   8.8387   3.2812   10.315   4.1854 -1.476619 5.318306 
1 1 1   14   57    3 o   17.129   2.4004  322.346   68.547  324.050   79.546  317.430  135.100   17.824   2.2990   16.434   4.2146 1.389536 4.800894 
1 1 1   14   57    4 o   30.376   1.4378  946.461   74.707  963.458   87.710  901.546  142.580   31.179   1.4492   29.573   2.4837 1.605480 2.875566 
1 1 1   14   57    5 f   8.2085   2.4896   24.654   67.320   39.781   79.578 -13.4192  126.245   7.9968   3.2573   8.4202   3.7658 -0.4233365 4.979127 
1 1 1   14   57    6 o   7.5118   2.3769 -14.9265   67.245 -24.3271   82.461   3.7344  116.182   6.6758   3.0098   8.3477   3.6795 -1.671948 4.753741 
1 1 1   14   57    7 o   9.8294   2.7694   59.903   74.003   17.760   87.556  165.308  138.468   7.6749   3.2890   11.984   4.4566 -4.309013 5.538869 
1 1 1   14   58    0 o   7.3667   2.2226   24.448   48.348   43.703   52.183 -92.3031  128.497   7.2454   2.7277   7.4879   3.5099 -0.2425194 4.445221 
1 1 1   14   58    1 o   10.532   2.3474  124.342   62.847  186.694   75.622 -14.8733  112.998   13.046   3.0421   8.0173   3.5759 5.028695 4.694800 
1 1 1   14   58    2 o   12.301   2.5630  110.227   65.550   34.538   75.926  331.788  129.903   7.7521   3.1724   16.850   4.0265 -9.097632 5.126093 
1 1 1   14   58    3 o   8.4670   2.5489   33.280   68.780   48.388   80.133  -8.9960  134.045   8.2342   3.2990   8.6997   3.8864 -0.4654694 5.097763 
1 1 1   14   58    4 o   10.777   2.7232  123.353   69.344  118.947   84.855  132.210  120.315   10.432   3.5263   11.121   4.1506 -0.6895847 5.446318 
1 1 1   14   58    5 o   12.129   2.7780  174.798   72.431  187.313   84.806  141.055  139.254   12.809   3.3665   11.449   4.4200 1.360373 5.556015 
1 1 1   14   58    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   59    0 o   12.470   2.2178  196.274   48.113  216.113   52.799   99.152  116.821   14.643   1.8575   10.297   4.0279 4.345704 4.435577 
1 1 1   14   59    1 o   18.104   2.2910  345.218   68.017  329.736   78.219  393.229  137.744   17.920   2.2485   18.287   3.9924 -0.3660908 4.582006 
1 1 1   14   59    2 o   13.464   2.6140  215.448   67.400  225.443   79.636  190.211  126.546   14.308   2.9647   12.619   4.3061 1.688710 5.227994 
1 1 1   14   59    3 o   9.7650   2.4997   95.100   69.284  153.724   82.614 -43.8830  127.202   11.601   3.4294   7.9287   3.6376 3.672700 4.999301 
1 1 1   14   60    0 o   15.627   2.3758  270.091   51.740  268.788   55.896  277.883  136.737   16.334   1.7629   14.921   4.4124 1.412837 4.751553 
1 1 1   15    0    0 o  182.859   1.7520 32494.79  621.635 32664.59  882.167 32327.31  876.112  183.334   2.4798  182.385   2.4756 -0.000000 0.000000 
1 1 1   15    0    1 o  124.906   1.3752 15156.99  333.210 15387.21  475.883 14935.55  466.712  125.837   1.9492  123.976   1.9404 -0.000000 0.000000 
1 1 1   15    0    2 o   31.306   1.0064  953.513   60.742  897.561   82.694  1019.08   89.515   30.308   1.4126   32.304   1.4339 -0.000000 0.000000 
1 1 1   15    0    3 o   71.161   0.9338  4920.58  128.766  4910.62  178.089  4931.49  186.402   71.087   1.2915   71.235   1.3491 -0.000000 0.000000 
1 1 1   15    0    4 o  110.863   1.2062 11961.52  258.954 12351.98  359.235 11539.17  373.622  112.755   1.6420  108.971   1.7673 -0.000000 0.000000 
1 1 1   15    0    5 o   14.778   2.1808  234.867   54.791  208.837   72.694  269.107   83.373   13.711   3.1354   15.846   3.0322 -0.000000 0.000000 
1 1 1   15    0    6 f  221.040   2.3385 47837.11  965.724 48653.79  1217.66 46452.42  1585.52  223.682   2.8053  218.398   3.7424 -0.000000 0.000000 
1 1 1   15    0    7 o   13.643   2.5691  215.058   58.810  199.984   81.570  231.376   84.868   12.998   3.7288   14.288   3.5351 -0.000000 0.000000 
1 1 1   15    0    8 o   49.854   0.9165  2418.13   88.517  2514.95  125.787  2323.16  124.585   50.846   1.2762   48.862   1.3157 -0.000000 0.000000 
1 1 1   15    0    9 o   87.288   1.0778  7416.63  182.087  7586.21  250.930  7228.02  264.636   88.349   1.4640   86.227   1.5822 -0.000000 0.000000 
1 1 1   15    0   10 o   96.179   1.1643  8998.56  216.394  9065.00  294.040  8920.05  319.612   96.574   1.5694   95.784   1.7202 -0.000000 0.000000 
1 1 1   15    0   11 o   20.515   2.1104  456.096   71.551  514.725   91.262  362.561  115.270   22.725   2.1107   18.305   3.6552 -0.000000 0.000000 
1 1 1   15    0   12 o   41.805   1.0702  1717.96   85.187  1790.13  112.349  1620.34  130.661   42.870   1.3531   40.740   1.6584 -0.000000 0.000000 
1 1 1   15    0   13 o   54.881   1.0042  2956.05  105.307  3100.74  139.837  2766.51  160.057   56.463   1.2773   53.299   1.5500 -0.000000 0.000000 
1 1 1   15    0   14 o   33.484   1.3017  1118.38   78.012  1153.23   95.181  1047.04  136.170   34.367   1.4324   32.600   2.1739 -0.000000 0.000000 
1 1 1   15    0   15 o   58.503   1.0897  3360.72  121.123  3488.33  158.241  3180.18  188.221   59.878   1.3630   57.128   1.7007 -0.000000 0.000000 
1 1 1   15    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   17 o   21.796   2.3963  521.800   81.350  562.813   98.508  433.852  144.254   23.755   2.1783   19.836   4.2689 -0.000000 0.000000 
1 1 1   15    0   18 o   15.932   3.2425  316.199   87.461  360.453  113.467  251.416  137.285   18.241   3.6045   13.624   5.3910 -0.000000 0.000000 
1 1 1   15    0   19 o   27.692   1.7778  769.822   90.095  779.355  113.608  753.666  147.895   28.048   2.1143   27.335   2.8587 -0.000000 0.000000 
1 1 1   15    0   20 o   22.272   2.1992  494.227   86.104  450.076  105.827  580.698  148.102   20.940   2.7322   23.605   3.4470 -0.000000 0.000000 
1 1 1   15    0   21 o   96.726   1.3529  9149.38  253.390  9328.09  350.677  8954.14  366.543   97.737   1.8498   95.715   1.9747 -0.000000 0.000000 
1 1 1   15    0   22 o   63.904   1.1667  3980.93  142.235  3933.29  184.961  4049.86  222.504   63.474   1.5030   64.334   1.7848 -0.000000 0.000000 
1 1 1   15    0   23 o   11.170   3.6543  168.510   86.187  120.239  106.530  259.968  146.635   8.9486   4.6766   13.392   5.6164 -0.000000 0.000000 
1 1 1   15    0   24 o   8.8029   3.5598  104.542   92.125   86.090  114.240  138.858  155.788   7.9487   4.5871   9.6571   5.4450 -0.000000 0.000000 
1 1 1   15    0   25 o   64.281   1.2497  4132.31  151.826  4412.00  198.490  3737.93  235.701   67.065   1.5265   61.496   1.9791 -0.000000 0.000000 
1 1 1   15    0   26 o   8.6420   3.3277  104.773   95.673  180.631  113.924 -76.7402  176.224   10.799   4.9617   6.4854   4.4357 -0.000000 0.000000 
1 1 1   15    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1    0 o   60.284   0.6180  3528.11   72.317  3566.85  102.183  3489.25  102.359   60.616   0.8684   59.953   0.8795 0.6632004 1.236014 
1 1 1   15    1    1 o   68.909   0.6591  4609.57   88.149  4596.96  123.697  4622.59  125.650   68.813   0.9260   69.005   0.9380 -0.1913528 1.318114 
1 1 1   15    1    2 o   72.007   0.6691  5033.62   93.519  5015.02  132.176  5052.28  132.337   71.874   0.9474   72.141   0.9450 -0.2665558 1.338108 
1 1 1   15    1    3 o   79.433   0.7000  6125.92  107.853  6135.70  149.703  6115.37  155.518   79.500   0.9701   79.367   1.0094 0.1326141 1.399989 
1 1 1   15    1    4 o  147.855   1.0220 21229.91  293.312 21357.86  414.829 21101.99  414.783  148.301   1.4410  147.409   1.4495 0.8914642 2.043924 
1 1 1   15    1    5 o   74.173   0.6794  5340.04   97.783  5382.81  140.604  5299.96  136.079   74.460   0.9728   73.886   0.9488 0.5747375 1.358840 
1 1 1   15    1    6 o   96.624   0.7969  9063.89  149.454  9194.33  213.385  8938.29  209.391   97.307   1.1297   95.942   1.1243 1.364204 1.593811 
1 1 1   15    1    7 o  122.969   0.9226 14682.53  220.192 14426.01  308.141 14950.19  314.760  121.872   1.3025  124.066   1.3070 -2.194130 1.845175 
1 1 1   15    1    8 o   98.301   0.8281  9385.46  158.003  9464.16  222.290  9305.09  224.628   98.718   1.1600   97.884   1.1822 0.8341904 1.656258 
1 1 1   15    1    9 o   11.426   1.9823  132.277   43.780  148.815   62.077  115.912   61.752   12.124   2.7063   10.729   2.8972 1.395043 3.964540 
1 1 1   15    1   10 o   62.413   0.6610  3782.37   80.077  3761.60  112.786  3803.48  113.711   62.241   0.9335   62.586   0.9360 -0.3453827 1.321917 
1 1 1   15    1   11 o   87.013   0.7855  7354.12  132.680  7303.17  187.512  7405.21  187.765   86.711   1.1140   87.315   1.1078 -0.6040649 1.571058 
1 1 1   15    1   12 o   72.188   0.7472  5061.16  104.697  5126.10  148.529  4997.02  147.604   72.648   1.0532   71.727   1.0601 0.9208374 1.494357 
1 1 1   15    1   13 o   18.385   1.3168  327.825   46.829  369.083   68.159  290.934   64.450   19.479   1.8026   17.291   1.9201 2.187309 2.633652 
1 1 1   15    1   14 o   61.044   0.7319  3619.74   86.730  3617.37  122.067  3622.15  123.249   61.024   1.0305   61.064   1.0398 -0.3986740E-01 1.463882 
1 1 1   15    1   15 o   67.577   0.7608  4437.03   99.806  4435.80  141.079  4438.27  141.214   67.567   1.0756   67.586   1.0764 -0.1876831E-01 1.521677 
1 1 1   15    1   16 o  100.168   0.9397  9755.48  182.709  9768.49  258.188  9742.43  258.591  100.235   1.3269  100.101   1.3308 0.1342926 1.879301 
1 1 1   15    1   17 o   76.108   0.8077  5629.99  119.330  5656.90  169.680  5603.65  167.852   76.288   1.1458   75.928   1.1388 0.3592606 1.615488 
1 1 1   15    1   18 o   82.591   0.8487  6630.37  136.030  6755.07  194.966  6512.08  189.886   83.347   1.2050   81.835   1.1953 1.511543 1.697338 
1 1 1   15    1   19 o   71.208   0.8041  4932.96  111.119  4950.94  155.440  4914.18  158.909   71.343   1.1224   71.073   1.1518 0.2694473 1.608233 
1 1 1   15    1   20 o   14.362   2.0980  222.370   59.002   92.030   85.750  339.563   81.310   10.126   3.5404   18.598   2.2522 -8.471918 4.196066 
1 1 1   15    1   21 o   64.068   0.8109  3988.43  100.695  3796.95  137.904  4207.10  147.375   62.427   1.1380   65.709   1.1554 -3.281452 1.621730 
1 1 1   15    1   22 o   31.482   1.0590  972.253   64.504  935.451   94.004  1005.00   88.673   30.906   1.5669   32.059   1.4249 -1.153160 2.117905 
1 1 1   15    1   23 o   24.685   1.3161  599.705   62.935  564.877   85.760  640.350   92.646   23.914   1.8474   25.455   1.8749 -1.540899 2.632137 
1 1 1   15    1   24 o   34.290   1.0602  1156.58   70.548  1183.11  101.377  1131.68   98.238   34.669   1.5064   33.911   1.4924 0.7575989 2.120445 
1 1 1   15    1   25 o   32.179   1.1689  1031.60   72.491  896.070  102.828  1165.51  102.210   30.020   1.7645   34.338   1.5334 -4.317440 2.337709 
1 1 1   15    1   26 o   9.7669   2.7205   76.090   77.713   30.083  117.119  112.282  103.876   8.9674   3.8224   10.566   3.8723 -1.598985 5.441090 
1 1 1   15    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    2    0 o  152.414   1.1209 22561.09  331.615 22508.17  471.905 22612.71  466.098  152.237   1.5969  152.592   1.5736 -0.3544769 2.241889 
1 1 1   15    2    1 o   92.175   0.7873  8248.40  140.867  8195.44  198.298  8302.36  200.148   91.876   1.1119   92.474   1.1150 -0.5973206 1.574613 
1 1 1   15    2    2 o  112.086   0.8718 12196.25  189.413 12163.21  260.737 12233.17  275.622  111.926   1.2001  112.246   1.2650 -0.3193130 1.743645 
1 1 1   15    2    3 o  169.777   1.1266 27986.77  369.563 27922.96  498.958 28064.32  550.051  169.568   1.5158  169.987   1.6670 -0.4188538 2.253114 
1 1 1   15    2    4 o  102.720   0.8296 10245.09  165.411 10296.55  233.386 10193.14  234.470  102.979   1.1675  102.461   1.1789 0.5187836 1.659158 
1 1 1   15    2    5 o   29.118   0.7611  822.381   42.989  868.519   61.800  779.124   59.839   29.909   1.0644   28.327   1.0882 1.581221 1.522246 
1 1 1   15    2    6 o   41.687   0.6458  1685.11   52.190  1568.52   72.528  1810.30   75.159   40.194   0.9296   43.181   0.8966 -2.987320 1.291539 
1 1 1   15    2    7 o  166.655   1.2288 27019.80  396.901 26398.02  573.873 27589.93  549.523  164.808   1.7938  168.502   1.6800 -3.693344 2.457676 
1 1 1   15    2    8 o  145.650   1.1479 20494.58  316.490 20090.44  403.107 21144.05  511.015  143.807   1.4440  147.494   1.7848 -3.687225 2.295822 
1 1 1   15    2    9 o  148.758   1.0458 21500.62  301.980 21307.42  426.238 21695.33  427.894  148.087   1.4828  149.429   1.4751 -1.342728 2.091567 
1 1 1   15    2   10 o   39.889   0.7052  1546.28   54.566  1604.85   76.788  1486.53   77.552   40.653   0.9730   39.125   1.0211 1.528343 1.410494 
1 1 1   15    2   11 o   54.289   0.6876  2862.25   72.435  2862.98  101.087  2861.48  103.846   54.296   0.9591   54.281   0.9855 0.1499939E-01 1.375187 
1 1 1   15    2   12 o   87.141   0.8348  7376.09  141.195  7426.91  200.934  7326.52  198.450   87.437   1.1838   86.844   1.1772 0.5925827 1.669502 
1 1 1   15    2   13 o   96.560   0.9008  9059.50  168.849  9008.71  237.984  9111.00  239.603   96.288   1.2732   96.833   1.2747 -0.5449753 1.801656 
1 1 1   15    2   14 o   56.114   0.7181  3059.72   78.145  3087.21  108.404  3029.99  112.752   56.377   0.9906   55.850   1.0400 0.5269737 1.436249 
1 1 1   15    2   15 o  108.642   0.9942 11475.72  209.655 11608.49  298.022 11345.64  294.995  109.264   1.4051  108.019   1.4069 1.244316 1.988351 
1 1 1   15    2   16 o   95.349   0.9123  8838.63  168.849  8851.70  238.957  8825.60  238.620   95.420   1.2901   95.279   1.2902 0.1408005 1.824506 
1 1 1   15    2   17 o   24.803   1.2405  595.767   59.556  653.099   88.102  547.522   80.819   25.896   1.7526   23.710   1.7560 2.185446 2.480945 
1 1 1   15    2   18 o   15.212   1.9540  233.209   55.798  211.349   83.185  251.089   75.234   14.401   3.0695   16.023   2.4188 -1.621839 3.907954 
1 1 1   15    2   19 o   43.383   0.8666  1828.31   72.914  1750.23  100.633  1914.61  105.794   42.409   1.2224   44.356   1.2287 -1.946194 1.733193 
1 1 1   15    2   20 o   54.153   0.8056  2854.58   84.680  2884.60  120.018  2824.83  119.496   54.437   1.1358   53.869   1.1427 0.5678673 1.611159 
1 1 1   15    2   21 o   48.418   0.8266  2284.45   77.642  2281.58  107.864  2287.54  111.849   48.390   1.1483   48.446   1.1893 -0.5634308E-01 1.653225 
1 1 1   15    2   22 o   43.299   0.8945  1830.05   75.177  1796.03  105.417  1865.25  107.238   42.890   1.2662   43.709   1.2639 -0.8190956 1.789036 
1 1 1   15    2   23 o   11.178   2.5535  127.838   63.167  135.158   90.229  120.803   88.459   11.428   3.6239   10.928   3.5984 0.4994774 5.106961 
1 1 1   15    2   24 o   20.438   1.5868  418.279   62.931  432.926   89.160  403.737   88.836   20.805   2.2077   20.072   2.2800 0.7333641 3.173691 
1 1 1   15    2   25 o   25.834   1.5638  659.298   77.612  775.918  120.635  576.935  101.380   27.732   2.2409   23.937   2.1818 3.795126 3.127662 
1 1 1   15    2   26 o   33.146   1.2202  1101.98   78.007  1226.93  109.444  972.958  111.215   35.127   1.6051   31.164   1.8384 3.962105 2.440478 
1 1 1   15    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    3    0 o   37.940   0.6337  1397.54   46.650  1452.93   66.188  1342.86   65.762   38.687   0.8813   37.192   0.9109 1.494587 1.267455 
1 1 1   15    3    1 o  171.613   1.1908 28603.37  396.690 28881.03  562.516 28328.68  559.505  172.442   1.6805  170.784   1.6877 1.657440 2.381643 
1 1 1   15    3    2 o  102.596   0.8253 10220.11  164.230 10233.00  227.855 10206.17  236.922  102.664   1.1433  102.528   1.1904 0.1360168 1.650553 
1 1 1   15    3    3 o   65.322   0.6435  4139.39   81.565  4047.03  113.359  4238.54  117.450   64.567   0.9044   66.076   0.9157 -1.509872 1.287044 
1 1 1   15    3    4 o   66.289   0.6511  4262.70   83.740  4175.10  116.041  4357.89  120.963   65.579   0.9115   66.999   0.9301 -1.419876 1.302291 
1 1 1   15    3    5 o   81.853   0.7091  6504.86  112.661  6495.81  159.667  6513.84  158.990   81.796   1.0056   81.909   0.9999 -0.1135941 1.418119 
1 1 1   15    3    6 o   60.349   0.6271  3535.59   73.464  3566.28  104.665  3505.78  103.139   60.608   0.8896   60.091   0.8842 0.5162163 1.254289 
1 1 1   15    3    7 o   42.910   0.6393  1789.50   53.191  1877.86   74.956  1699.87   75.495   43.979   0.8780   41.842   0.9295 2.136921 1.278599 
1 1 1   15    3    8 o   32.809   0.7821  1044.66   49.793  1013.11   69.461  1078.00   71.416   32.299   1.1079   33.318   1.1042 -1.018375 1.564166 
1 1 1   15    3    9 o   55.483   0.6501  2988.96   69.996  2983.21   97.694  2995.02  100.338   55.429   0.9080   55.538   0.9307 -0.1090279 1.300225 
1 1 1   15    3   10 o   40.268   0.6899  1577.06   53.783  1613.96   73.960  1535.64   78.353   40.769   0.9345   39.766   1.0150 1.003139 1.379726 
1 1 1   15    3   11 o   29.646   0.8960  850.953   51.475  794.545   70.517  915.293   75.313   28.598   1.2703   30.694   1.2640 -2.096325 1.792024 
1 1 1   15    3   12 o   14.371   1.6873  200.843   45.592  246.479   69.276  165.975   60.554   15.910   2.2430   12.831   2.5212 3.079910 3.374509 
1 1 1   15    3   13 o   75.606   0.7784  5551.90  114.225  5605.31  163.044  5500.42  160.075   75.962   1.1057   75.249   1.0959 0.7135315 1.556762 
1 1 1   15    3   14 o   72.469   0.7663  5095.71  107.731  4924.62  149.133  5282.44  155.794   71.199   1.0790   73.740   1.0884 -2.540726 1.532613 
1 1 1   15    3   15 o   22.319   1.2982  481.128   55.979  423.042   75.716  551.157   83.136   20.844   1.8713   23.794   1.7999 -2.950611 2.596461 
1 1 1   15    3   16 o   89.803   0.8809  7839.53  153.555  7823.73  217.475  7855.25  216.845   89.712   1.2488   89.893   1.2427 -0.1812210 1.761747 
1 1 1   15    3   17 o   21.975   1.3939  470.989   59.417  450.866   84.091  491.052   83.965   21.504   2.0145   22.446   1.9270 -0.9421902 2.787752 
1 1 1   15    3   18 o   43.995   0.7922  1881.58   67.649  1888.26   96.493  1875.11   94.868   44.071   1.1279   43.918   1.1128 0.1527023 1.584445 
1 1 1   15    3   19 o   42.199   0.8693  1732.88   71.142  1836.71  101.426  1632.32   99.814   43.446   1.2026   40.952   1.2556 2.493374 1.738634 
1 1 1   15    3   20 o   33.464   1.0348  1093.08   67.041  1105.19   91.817  1079.25   98.116   33.669   1.4049   33.258   1.5198 0.4102364 2.069611 
1 1 1   15    3   21 o   26.294   1.2424  676.867   63.372  712.247   90.633  643.025   88.642   26.969   1.7312   25.618   1.7825 1.350855 2.484818 
1 1 1   15    3   22 o   19.686   1.6371  378.638   62.004  316.227   82.976  457.554   93.305   17.860   2.3933   21.513   2.2343 -3.652395 3.274183 
1 1 1   15    3   23 o   39.273   0.9401  1510.07   71.622  1531.32  103.540  1490.57   99.177   39.533   1.3492   39.014   1.3096 0.5189400 1.880260 
1 1 1   15    3   24 o   37.167   1.1588  1376.69   81.302  1302.03  129.110  1425.76  104.659   36.246   1.8350   38.089   1.4155 -1.842812 2.317513 
1 1 1   15    3   25 o   18.976   1.9274  391.817   65.034  501.063   88.522  263.708   95.860   22.356   2.0398   15.595   3.2710 6.761089 3.854884 
1 1 1   15    3   26 o   21.718   1.7419  480.389   72.543  386.996   98.363  591.765  107.415   19.344   2.6195   24.092   2.2968 -4.748348 3.483847 
1 1 1   15    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4    0 o   74.180   0.6840  5340.14   98.454  5279.15  136.961  5405.35  141.628   73.742   0.9568   74.618   0.9778 -0.8759003 1.368020 
1 1 1   15    4    1 o  107.047   0.8524 11123.09  176.879 11076.29  243.425 11175.43  257.452  106.809   1.1741  107.284   1.2362 -0.4750290 1.704895 
1 1 1   15    4    2 o   39.486   0.6338  1514.77   48.541  1559.47   68.021  1468.39   69.292   40.080   0.8743   38.892   0.9178 1.188374 1.267580 
1 1 1   15    4    3 o   44.016   0.6064  1880.26   51.794  1807.23   72.651  1955.75   73.861   43.147   0.8674   44.885   0.8477 -1.738152 1.212857 
1 1 1   15    4    4 o   28.847   0.7546  806.437   42.134  789.450   57.218  826.560   62.277   28.516   1.0337   29.178   1.0995 -0.6619625 1.509136 
1 1 1   15    4    5 o   86.333   0.7323  7235.36  122.705  7327.88  174.973  7145.83  172.124   86.875   1.0375   85.790   1.0336 1.085815 1.464504 
1 1 1   15    4    6 o   74.589   0.7145  5399.12  103.422  5537.81  148.329  5267.91  144.276   75.521   1.0118   73.658   1.0090 1.863251 1.428954 
1 1 1   15    4    7 f   42.062   0.6451  1717.85   52.595  1718.73   72.475  1716.86   76.446   42.074   0.8874   42.050   0.9365 0.2366638E-01 1.290162 
1 1 1   15    4    8 o  225.072   1.4116 49237.28  616.510 48690.91  857.952 49820.62  886.502  223.785   1.9750  226.358   2.0175 -2.572708 2.823298 
1 1 1   15    4    9 o   16.346   1.4497  261.299   45.235  203.450   62.936  323.123   65.061   14.460   2.2421   18.231   1.8385 -3.770561 2.899472 
1 1 1   15    4   10 o  100.269   0.8392  9764.42  163.334  9707.84  229.252  9822.75  232.765   99.974   1.1813  100.563   1.1924 -0.5892563 1.678466 
1 1 1   15    4   11 o   82.508   0.7638  6610.98  122.316  6519.79  171.763  6704.82  174.225   81.930   1.0800   83.085   1.0803 -1.154427 1.527521 
1 1 1   15    4   12 o   61.893   0.7103  3719.58   85.330  3656.43  119.559  3785.15  121.821   61.358   1.0038   62.429   1.0052 -1.070621 1.420606 
1 1 1   15    4   13 o   99.207   0.9222  9564.04  177.590  9532.22  251.611  9595.63  250.692   99.042   1.3087   99.372   1.2996 -0.3297043 1.844368 
1 1 1   15    4   14 o   30.997   0.9481  933.148   57.016  914.562   79.041  953.312   82.325   30.676   1.3274   31.318   1.3542 -0.6422558 1.896240 
1 1 1   15    4   15 o   20.639   1.4424  416.044   57.647  437.344   80.247  393.331   82.868   21.190   1.9509   20.089   2.1250 1.101116 2.884767 
1 1 1   15    4   16 o   68.225   0.7828  4520.90  103.638  4401.19  144.611  4647.32  148.605   67.297   1.1070   69.153   1.1070 -1.856163 1.565534 
1 1 1   15    4   17 o   29.064   1.0855  823.390   61.140  866.060   85.722  779.210   87.227   29.835   1.4801   28.294   1.5881 1.540688 2.170944 
1 1 1   15    4   18 o   41.319   0.8545  1660.74   68.502  1720.35   96.887  1601.15   96.866   42.062   1.1866   40.576   1.2298 1.486191 1.708955 
1 1 1   15    4   19 o   48.769   0.8088  2314.72   76.523  2285.25  109.640  2342.71  106.853   48.464   1.1654   49.074   1.1217 -0.6098328 1.617520 
1 1 1   15    4   20 o   34.251   1.0009  1142.59   66.344  1128.21   90.101  1159.63   98.050   34.021   1.3643   34.480   1.4649 -0.4592094 2.001834 
1 1 1   15    4   21 o   22.792   1.4291  511.504   63.004  560.912   89.130  462.161   89.072   23.908   1.9205   21.676   2.1169 2.231836 2.858261 
1 1 1   15    4   22 o   23.010   1.4343  525.940   63.475  595.939   88.727  452.559   90.845   24.619   1.8566   21.401   2.1868 3.218348 2.868640 
1 1 1   15    4   23 o   31.418   1.1913  959.912   72.142  1082.57  110.312  868.245   95.362   33.141   1.7147   29.695   1.6543 3.445627 2.382672 
1 1 1   15    4   24 o   12.586   2.3346  164.935   64.793  276.904   92.160   55.503   91.110   16.202   3.0420   8.9707   3.5423 7.231426 4.669201 
1 1 1   15    4   25 o   11.026   2.5878  128.571   64.751  137.337   90.938  119.556   92.217   11.309   3.6436   10.742   3.6759 0.5668297 5.175690 
1 1 1   15    4   26 o   36.103   1.5597  1348.06   93.554  1373.20  108.277  1274.00  185.830   37.214   1.4989   34.992   2.7358 2.222000 3.119478 
1 1 1   15    4   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5    0 o  141.324   1.0391 19392.08  285.021 19231.19  398.953 19559.80  407.339  140.726   1.4604  141.922   1.4786 -1.196335 2.078226 
1 1 1   15    5    1 o   91.396   0.7705  8110.76  136.574  8131.31  189.407  8088.50  197.115   91.517   1.0662   91.275   1.1125 0.2423172 1.540903 
1 1 1   15    5    2 o   96.745   0.7971  9086.73  149.580  9078.00  207.480  9096.17  215.844   96.697   1.1053   96.793   1.1488 -0.9564209E-01 1.594187 
1 1 1   15    5    3 f  130.786   0.9794 16584.14  248.069 16252.96  338.037 16970.64  365.177  129.375   1.3460  132.197   1.4230 -2.822083 1.958767 
1 1 1   15    5    4 o  107.227   0.8747 11164.54  182.057 11249.31  257.160 11079.36  257.776  107.635   1.2308  106.818   1.2432 0.8165894 1.749376 
1 1 1   15    5    5 o   71.080   0.6705  4905.08   92.500  4794.81  130.385  5016.81  131.250   70.275   0.9558   71.884   0.9406 -1.608818 1.340981 
1 1 1   15    5    6 f   89.562   0.8784  7740.75  146.758  7615.66  182.976  7966.34  245.724   88.561   1.0644   90.563   1.3978 -2.001740 1.756872 
1 1 1   15    5    7 o   55.169   0.6296  2954.21   67.334  2938.48   92.782  2971.70   97.872   55.014   0.8688   55.323   0.9113 -0.3091850 1.259118 
1 1 1   15    5    8 o   30.125   0.8294  882.274   48.407  897.374   66.762  865.536   70.291   30.398   1.1314   29.853   1.2130 0.5454006 1.658732 
1 1 1   15    5    9 o  103.547   0.8410 10414.38  169.041 10487.61  238.533 10340.50  239.590  103.913   1.1825  103.181   1.1962 0.7321930 1.682041 
1 1 1   15    5   10 f   54.839   0.8358  2989.95   82.701  3119.19  101.146  2729.31  143.645   56.677   0.9193   53.001   1.3962 3.675804 1.671683 
1 1 1   15    5   11 o  100.148   0.9053  9733.36  175.734  9553.59  241.157  9936.91  256.613   99.165   1.2528  101.131   1.3072 -1.965561 1.810567 
1 1 1   15    5   12 o   81.620   0.7805  6469.48  123.650  6623.02  176.268  6320.73  173.500   82.574   1.0997   80.667   1.1080 1.906921 1.561072 
1 1 1   15    5   13 o  114.285   1.0342 12696.02  229.443 12713.79  324.364 12678.22  324.598  114.366   1.4611  114.205   1.4642 0.1604538 2.068471 
1 1 1   15    5   14 o  106.219   0.9760 10966.50  201.228 10861.33  283.664 11073.03  285.504  105.706   1.3824  106.732   1.3780 -1.025665 1.951917 
1 1 1   15    5   15 f   68.004   0.7734  4493.64  102.095  4481.06  144.875  4506.05  143.898   67.909   1.0990   68.099   1.0886 -0.1898117 1.546855 
1 1 1   15    5   16 o   48.687   0.7965  2303.63   75.266  2313.30  107.322  2294.28  105.584   48.787   1.1332   48.587   1.1195 0.2001801 1.592924 
1 1 1   15    5   17 o   45.406   0.8053  2003.08   70.902  1985.31   97.848  2022.73  102.882   45.195   1.1153   45.616   1.1619 -0.4211693 1.610531 
1 1 1   15    5   18 o   26.199   1.2399  668.896   62.488  554.726   86.459  793.759   90.417   23.851   1.8674   28.547   1.6317 -4.695362 2.479791 
1 1 1   15    5   19 o   60.295   0.7842  3533.22   91.729  3358.08  127.766  3719.52  131.774   58.753   1.1203   61.837   1.0978 -3.083836 1.568479 
1 1 1   15    5   20 o   31.045   1.0663  940.995   64.080  851.819   89.837  1033.36   91.429   29.540   1.5667   32.550   1.4470 -3.009533 2.132651 
1 1 1   15    5   21 o   21.329   1.5276  458.978   61.625  530.667   83.161  371.661   91.778   23.263   1.8416   19.394   2.4378 3.868977 3.055221 
1 1 1   15    5   22 o   22.669   1.5781  507.837   67.251  510.331  109.741  506.338   85.104   22.660   2.4948   22.678   1.9332 -0.1743317E-01 3.156173 
1 1 1   15    5   23 o   38.794   0.9496  1481.70   71.090  1554.87   97.005  1396.80  104.485   39.857   1.2538   37.731   1.4266 2.126564 1.899221 
1 1 1   15    5   24 o   23.512   1.2905  547.846   58.898  549.413   83.233  546.275   83.355   23.547   1.8210   23.477   1.8290 0.6946754E-01 2.580907 
1 1 1   15    5   25 o   19.287   2.5198  393.960   79.927  384.358   92.196  423.011  160.358   19.439   2.4433   19.136   4.4078 0.3026237 5.039655 
1 1 1   15    5   26 o   15.646   2.3787  278.730   72.763  386.074  100.838  162.118  105.100   19.277   2.6948   12.016   3.9207 7.260305 4.757473 
1 1 1   15    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    6    0 o  220.036   1.3083 46933.63  554.327 46289.21  736.225 47777.13  842.315  218.306   1.7373  221.765   1.9567 -3.459396 2.616640 
1 1 1   15    6    1 f  176.626   1.1537 30277.59  393.547 30098.30  529.638 30498.61  588.053  176.048   1.5498  177.204   1.7095 -1.155991 2.307484 
1 1 1   15    6    2 o  167.341   1.1191 27210.23  362.291 27377.55  493.222 27014.17  533.907  167.904   1.5133  166.778   1.6492 1.126541 2.238237 
1 1 1   15    6    3 o   76.255   0.6910  5644.49  102.229  5624.68  142.177  5665.70  147.094   76.117   0.9622   76.393   0.9919 -0.2765274 1.381959 
1 1 1   15    6    4 o   68.401   0.6561  4542.75   87.084  4565.95  121.707  4518.41  124.656   68.580   0.9142   68.221   0.9413 0.3584442 1.312199 
1 1 1   15    6    5 f   39.238   0.6355  1494.50   48.357  1499.55   69.999  1489.88   66.882   39.301   0.9175   39.174   0.8795 0.1263847 1.270993 
1 1 1   15    6    6 o   46.532   0.6210  2103.06   56.070  2155.87   78.883  2049.14   79.712   47.123   0.8624   45.941   0.8938 1.181782 1.242018 
1 1 1   15    6    7 o   6.9968   1.9971   19.069   42.301   33.657   58.105   2.6184   61.703   7.3788   2.8533   6.6147   2.7950 0.7640100 3.994164 
1 1 1   15    6    8 o   75.429   0.7006  5523.40  102.504  5494.05  141.915  5555.42  148.215   75.220   0.9719   75.638   1.0095 -0.4176712 1.401294 
1 1 1   15    6    9 o  118.798   1.0033 13704.17  231.296 13454.26  321.865 13971.04  332.603  117.679   1.4090  119.917   1.4288 -2.237068 2.006695 
1 1 1   15    6   10 o   61.846   0.6715  3714.23   80.563  3712.58  111.970  3716.00  116.005   61.833   0.9329   61.860   0.9661 -0.2743149E-01 1.342941 
1 1 1   15    6   11 o   79.871   0.7553  6195.50  117.073  6170.02  163.790  6222.11  167.403   79.704   1.0586   80.038   1.0775 -0.3347321 1.510500 
1 1 1   15    6   12 o  148.187   1.2014 21348.10  345.550 21674.47  493.491 21034.15  484.009  149.298   1.7028  147.077   1.6953 2.220642 2.402812 
1 1 1   15    6   13 o   42.672   0.7727  1769.49   63.976  1795.58   89.532  1742.28   91.452   42.994   1.0728   42.350   1.1124 0.6442223 1.545423 
1 1 1   15    6   14 o   54.880   0.8514  2886.00   87.533  3078.52  146.216  2778.47  109.278   56.279   1.3384   53.480   1.0526 2.798542 1.702738 
1 1 1   15    6   15 o   70.729   0.7718  4860.31  105.947  4745.00  149.063  4978.03  150.613   69.880   1.0989   71.577   1.0840 -1.696472 1.543558 
1 1 1   15    6   16 o   58.883   0.7487  3368.74   85.563  3335.67  119.850  3403.11  122.191   58.589   1.0538   59.178   1.0637 -0.5886803 1.497312 
1 1 1   15    6   17 o   17.209   1.8356  305.244   57.023  397.576   79.232  206.030   82.132   20.192   2.0214   14.226   3.0646 5.965919 3.671182 
1 1 1   15    6   18 o   45.170   0.8401  1983.42   73.638  1960.18  102.482  2008.23  105.880   44.898   1.1759   45.443   1.2003 -0.5451508 1.680277 
1 1 1   15    6   19 o   35.865   0.9435  1252.32   65.537  1248.45   89.670  1256.75   96.023   35.809   1.2900   35.920   1.3771 -0.1110344 1.886949 
1 1 1   15    6   20 o   30.440   1.0720  906.851   63.152  840.013   90.327  970.763   88.328   29.332   1.5864   31.548   1.4423 -2.216440 2.144042 
1 1 1   15    6   21 o   18.495   1.6962  339.704   60.266  352.342   80.611  323.687   90.746   18.914   2.1956   18.077   2.5860 0.8364124 3.392375 
1 1 1   15    6   22 o   20.844   1.5348  431.583   61.780  469.202   86.006  391.479   88.801   21.811   2.0314   19.877   2.3014 1.933113 3.069695 
1 1 1   15    6   23 o   7.0307   2.2121 -33.1623   61.665 -69.5455   84.433   8.4281   90.274   6.1960   2.8848   7.8653   3.3543 -1.669285 4.424196 
1 1 1   15    6   24 o   10.272   2.7212   95.092   72.051  119.307   84.763   32.027  136.790   10.759   3.5215   9.7854   4.1496 0.9737453 5.442442 
1 1 1   15    6   25 o   24.560   1.3957  601.477   65.533  589.607   85.249  618.625  102.463   24.327   1.8053   24.793   2.1290 -0.4666195 2.791329 
1 1 1   15    6   26 o   25.053   1.5662  640.647   74.210  627.970  118.192  648.898   95.348   24.712   2.4639   25.395   1.9342 -0.6835403 3.132375 
1 1 1   15    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    7    0 o  115.702   0.9036 12996.07  202.629 12959.26  278.726 13037.33  295.095  115.530   1.2429  115.874   1.3119 -0.3450394 1.807159 
1 1 1   15    7    1 o   69.868   0.6578  4740.51   89.138  4779.20  123.825  4698.90  128.423   70.165   0.9091   69.572   0.9509 0.5925217 1.315581 
1 1 1   15    7    2 o  134.328   1.0007 17530.90  260.421 17674.38  357.987 17369.62  379.539  134.914   1.3669  133.741   1.4619 1.172531 2.001430 
1 1 1   15    7    3 f  232.506   1.3701 52586.19  613.240 53041.87  818.188 52002.07  926.353  233.672   1.8038  231.340   2.0628 2.331970 2.740216 
1 1 1   15    7    4 o   40.193   0.6424  1567.25   50.077  1542.18   69.195  1594.81   72.564   39.856   0.8944   40.531   0.9223 -0.6740875 1.284726 
1 1 1   15    7    5 o   27.875   0.7672  753.983   41.487  767.598   59.947  741.469   57.473   28.116   1.0984   27.634   1.0714 0.4824047 1.534382 
1 1 1   15    7    6 o   64.801   0.6392  4073.62   80.333  3999.67  110.943  4155.13  116.474   64.184   0.8905   65.419   0.9172 -1.234787 1.278338 
1 1 1   15    7    7 o   12.068   1.8092  156.294   42.313  220.184   56.556   75.063   63.771   15.050   1.9359   9.0873   3.0571 5.962442 3.618478 
1 1 1   15    7    8 o  130.106   1.0032 16444.57  253.348 16394.96  356.176 16495.37  360.440  129.908   1.4124  130.304   1.4250 -0.3961182 2.006364 
1 1 1   15    7    9 o   43.068   0.6856  1800.82   57.244  1795.74   78.977  1806.44   83.091   43.004   0.9461   43.131   0.9924 -0.1269112 1.371117 
1 1 1   15    7   10 o  194.394   1.2186 36732.85  459.809 36216.57  645.486 37264.72  655.157  193.008   1.7228  195.781   1.7239 -2.772827 2.437216 
1 1 1   15    7   11 o  100.235   0.8705  9760.57  169.377  9812.36  239.788  9709.00  239.283  100.501   1.2291   99.970   1.2330 0.5310059 1.741014 
1 1 1   15    7   12 o   47.730   0.6847  2211.92   63.420  2238.12   90.930  2187.09   88.497   48.005   0.9758   47.455   0.9607 0.5499802 1.369323 
1 1 1   15    7   13 o   65.235   0.7399  4134.21   93.685  4169.04  131.645  4098.47  133.352   65.514   1.0352   64.956   1.0576 0.5579605 1.479871 
1 1 1   15    7   14 o   60.511   0.7380  3556.17   86.678  3602.95  123.886  3511.30  121.318   60.900   1.0479   60.121   1.0395 0.7791405 1.476063 
1 1 1   15    7   15 o   59.862   0.7356  3477.38   85.374  3563.31  124.409  3400.89  117.372   60.559   1.0583   59.165   1.0220 1.394192 1.471177 
1 1 1   15    7   16 o   12.192   2.1654  148.814   52.388  204.081   76.731  100.556   71.700   14.184   2.8850   10.200   3.2300 3.983831 4.330808 
1 1 1   15    7   17 o   53.191   0.7737  2749.71   79.780  2753.20  115.872  2746.56  110.007   53.221   1.1216   53.161   1.0660 0.6048965E-01 1.547357 
1 1 1   15    7   18 o   37.482   0.9178  1371.13   66.539  1435.18   91.720  1299.97   96.676   38.413   1.2300   36.551   1.3626 1.862774 1.835643 
1 1 1   15    7   19 o   15.145   2.0556  228.506   59.108  195.858   80.299  267.116   87.325   13.818   3.0731   16.472   2.7311 -2.654049 4.111299 
1 1 1   15    7   20 o   51.697   0.8061  2601.78   80.883  2577.26  113.458  2627.12  115.338   51.450   1.1360   51.944   1.1438 -0.4941559 1.612112 
1 1 1   15    7   21 o   20.406   1.5521  410.182   61.458  412.148   88.189  408.325   85.695   20.450   2.2215   20.362   2.1680 0.8773232E-01 3.104115 
1 1 1   15    7   22 o   36.620   0.9488  1316.77   66.657  1351.46   88.470  1271.21  101.378   37.203   1.2251   36.038   1.4492 1.164608 1.897588 
1 1 1   15    7   23 o   9.0903   2.6114   48.614   69.919   77.268   80.934 -35.6848  138.820   9.3569   3.4197   8.8237   3.9474 0.5332308 5.222723 
1 1 1   15    7   24 o   10.734   2.1633   92.999   63.001  237.457   86.808 -67.7647   91.576   14.948   3.0935   6.5191   3.0248 8.429222 4.326607 
1 1 1   15    7   25 o   36.333   1.0205  1300.41   71.895  1235.96   98.984  1372.37  104.597   35.383   1.4411   37.283   1.4452 -1.899834 2.040967 
1 1 1   15    7   26 o   12.553   2.7437  182.520   75.532  133.696  116.390  218.042   99.276   11.258   4.1030   13.848   3.6439 -2.589670 5.487479 
1 1 1   15    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8    0 o  157.218   1.0832 23999.14  329.282 23952.18  446.069 24055.37  488.116  157.053   1.4632  157.383   1.5977 -0.3302917 2.166456 
1 1 1   15    8    1 o  109.396   0.8516 11625.22  180.656 11760.53  250.806 11479.31  260.437  110.059   1.1739  108.733   1.2339 1.325684 1.703125 
1 1 1   15    8    2 o   80.320   0.7038  6263.90  109.714  6318.33  154.160  6208.05  156.178   80.674   0.9844   79.966   1.0061 0.7075806 1.407601 
1 1 1   15    8    3 o  125.654   0.9441 15318.61  229.773 15137.41  313.826 15527.99  337.344  124.856   1.2948  126.453   1.3743 -1.596901 1.888194 
1 1 1   15    8    4 o  125.036   0.9521 15190.77  230.837 15368.63  319.984 14997.77  333.329  125.801   1.3103  124.270   1.3818 1.530838 1.904281 
1 1 1   15    8    5 o   66.255   0.6536  4254.44   83.975  4101.41  115.581  4425.54  122.212   64.995   0.9161   67.515   0.9325 -2.519020 1.307210 
1 1 1   15    8    6 o   38.059   0.6649  1409.35   48.788  1433.43   65.598  1379.56   72.984   38.424   0.8795   37.693   0.9975 0.7306137 1.329814 
1 1 1   15    8    7 o  125.956   0.9399 15409.52  229.809 15346.24  323.412 15474.05  326.609  125.695   1.3255  126.217   1.3330 -0.5217972 1.879864 
1 1 1   15    8    8 o   83.767   0.7557  6815.54  122.862  6928.47  173.129  6700.96  174.385   84.467   1.0559   83.067   1.0815 1.399490 1.511446 
1 1 1   15    8    9 o  131.218   1.0385 16729.24  264.513 16662.00  373.292 16797.05  374.867  130.953   1.4685  131.483   1.4687 -0.5296173 2.076922 
1 1 1   15    8   10 o  214.280   1.3356 44703.54  554.029 43993.36  810.560 45326.25  759.009  212.663   1.9635  215.897   1.8111 -3.233353 2.671188 
1 1 1   15    8   11 o   76.215   0.7358  5643.24  108.813  5705.16  152.238  5578.58  155.586   76.644   1.0233   75.787   1.0576 0.8566895 1.471566 
1 1 1   15    8   12 o  102.789   0.9054 10266.32  180.657 10366.78  255.257 10165.50  255.720  103.294   1.2730  102.285   1.2879 1.008942 1.810894 
1 1 1   15    8   13 o   88.039   0.8448  7524.08  144.290  7354.42  199.837  7708.86  208.557   87.004   1.1832   89.074   1.2062 -2.070091 1.689652 
1 1 1   15    8   14 o   62.475   0.7270  3791.51   88.161  3784.61  124.307  3798.49  125.054   62.417   1.0259   62.532   1.0302 -0.1141014 1.453940 
1 1 1   15    8   15 f   12.141   2.1565  149.799   50.518  149.966   76.054  149.667   67.581   12.153   3.1852   12.130   2.9079 0.2305603E-01 4.312925 
1 1 1   15    8   16 o   28.162   1.0702  771.638   58.494  790.457   83.197  753.241   82.256   28.502   1.5037   27.822   1.5231 0.6799564 2.140306 
1 1 1   15    8   17 o   67.348   0.7747  4408.50  101.273  4423.17  143.792  4394.06  142.658   67.459   1.0981   67.237   1.0930 0.2218704 1.549320 
1 1 1   15    8   18 o   26.779   1.1196  697.536   58.126  680.932   79.815  716.286   84.817   26.442   1.5550   27.116   1.6113 -0.6743450 2.239288 
1 1 1   15    8   19 o   11.120   2.4895  120.924   60.241  110.649   82.997  132.364   87.576   10.710   3.4836   11.529   3.5575 -0.8192225 4.979095 
1 1 1   15    8   20 o   50.713   0.8046  2503.14   78.879  2493.04  106.682  2515.31  117.156   50.608   1.0859   50.819   1.1876 -0.2111130 1.609253 
1 1 1   15    8   21 o   64.283   0.7918  4022.97   98.756  3918.79  136.924  4135.92  142.572   63.418   1.1123   65.148   1.1274 -1.729740 1.583694 
1 1 1   15    8   22 o   38.546   1.1910  1431.57   80.125  1397.21   94.023  1522.70  153.135   37.812   1.2810   39.280   2.0084 -1.467445 2.382088 
1 1 1   15    8   23 o   9.1990   2.4132   65.393   59.090   26.723   81.285  108.732   86.052   7.9339   3.2687   10.464   3.5510 -2.530207 4.826410 
1 1 1   15    8   24 o   10.238   2.5262  102.820   61.909  113.405   85.271   91.020   90.028   10.554   3.5351   9.9230   3.6098 0.6305838 5.052452 
1 1 1   15    8   25 o   13.156   2.2472  187.426   61.999   92.953   88.165  279.851   87.203   9.8346   3.5730   16.477   2.7264 -6.642299 4.494433 
1 1 1   15    8   26 o   38.959   1.1997  1516.67   89.409  1510.72  138.426  1520.93  117.115   38.798   1.8380   39.120   1.5422 -0.3216934 2.399306 
1 1 1   15    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    9    0 o  179.400   1.1567 31229.29  400.399 31004.69  536.670 31511.27  601.331  178.679   1.5473  180.121   1.7198 -1.441818 2.313412 
1 1 1   15    9    1 o   28.704   0.7056  803.896   39.088  891.992   54.817  712.762   55.754   30.312   0.9316   27.095   1.0600 3.216782 1.411218 
1 1 1   15    9    2 o  108.188   0.8537 11360.89  178.983 11302.85  245.753 11426.45  261.192  107.895   1.1734  108.481   1.2403 -0.5860748 1.707409 
1 1 1   15    9    3 f   97.396   0.7975  9207.53  150.546  9160.45  207.009  9260.38  219.333   97.133   1.0979   97.659   1.1570 -0.5264816 1.594978 
1 1 1   15    9    4 o  121.091   0.9874 14250.69  231.762 14446.50  320.677 14036.57  335.335  121.965   1.3545  120.217   1.4370 1.747414 1.974708 
1 1 1   15    9    5 o   35.577   0.6675  1228.38   46.046  1239.35   66.810  1218.46   63.549   35.728   0.9633   35.426   0.9241 0.3019333 1.334907 
1 1 1   15    9    6 o   70.398   0.6846  4804.23   93.404  4684.95  127.860  4940.73  136.778   69.463   0.9482   71.333   0.9878 -1.869888 1.369256 
1 1 1   15    9    7 o   35.527   0.7127  1223.66   49.054  1197.16   66.988  1254.31   72.032   35.113   0.9828   35.940   1.0325 -0.8275299 1.425440 
1 1 1   15    9    8 o  101.062   0.8708  9921.03  170.803  9891.81  243.945  9949.12  239.226  100.915   1.2453  101.209   1.2177 -0.2935791 1.741675 
1 1 1   15    9    9 o  131.315   1.0500 16755.34  267.448 16743.04  385.533 16766.75  371.323  131.266   1.5130  131.365   1.4562 -0.9841919E-01 2.099908 
1 1 1   15    9   10 o   27.767   0.9023  746.638   48.421  850.754   70.523  653.781   66.601   29.593   1.2277   25.940   1.3226 3.652878 1.804575 
1 1 1   15    9   11 o  116.615   0.9701 13209.62  219.262 13130.69  301.320 13298.45  319.660  116.248   1.3353  116.981   1.4077 -0.7330933 1.940254 
1 1 1   15    9   12 f   66.811   0.7085  4335.77   91.872  4361.95  128.820  4308.66  131.063   67.016   0.9902   66.605   1.0137 0.4117279 1.417090 
1 1 1   15    9   13 o   94.538   0.8857  8684.55  162.543  8698.09  229.496  8670.92  230.248   94.612   1.2496   94.463   1.2556 0.1484070 1.771466 
1 1 1   15    9   14 o   25.270   1.0137  622.104   49.574  566.247   70.114  677.945   70.104   24.131   1.4968   26.408   1.3675 -2.277096 2.027441 
1 1 1   15    9   15 o   83.745   0.8274  6815.82  134.505  6761.52  190.499  6869.80  189.941   83.412   1.1765   84.078   1.1638 -0.6664124 1.654865 
1 1 1   15    9   16 o   97.445   0.9269  9234.91  175.315  9132.17  248.395  9336.88  247.474   96.904   1.3205   97.987   1.3011 -1.082870 1.853763 
1 1 1   15    9   17 o   57.864   0.7654  3254.68   85.956  3192.22  121.612  3317.04  121.509   57.308   1.0932   58.420   1.0715 -1.111397 1.530732 
1 1 1   15    9   18 o   62.593   0.7850  3810.78   95.351  3715.55  135.342  3904.64  134.356   61.815   1.1279   63.372   1.0922 -1.557102 1.570052 
1 1 1   15    9   19 o   41.345   0.8672  1664.83   69.570  1703.74   97.883  1625.10   98.900   41.836   1.2053   40.854   1.2471 0.9812279 1.734340 
1 1 1   15    9   20 o   43.901   0.8705  1880.22   73.789  1902.74   99.701  1852.93  109.726   44.201   1.1620   43.600   1.2964 0.6005745 1.740974 
1 1 1   15    9   21 o   51.661   1.0394  2558.06   92.019  2503.07  106.832  2716.15  181.130   50.687   1.0858   52.635   1.7727 -1.948238 2.078828 
1 1 1   15    9   22 o   11.367   2.3567  131.286   57.197   85.914   79.610  179.697   82.233   9.6703   3.4092   13.063   3.2548 -3.392954 4.713382 
1 1 1   15    9   23 o   29.525   1.1555  860.121   66.125  876.898   91.565  841.836   95.594   29.841   1.5807   29.210   1.6859 0.6315136 2.311051 
1 1 1   15    9   24 o   18.277   1.6712  337.127   59.142  318.968   85.000  354.168   82.342   17.770   2.4641   18.784   2.2582 -1.013807 3.342367 
1 1 1   15    9   25 o   29.501   1.1582  861.858   66.010  843.782   88.728  884.263   98.783   29.183   1.5663   29.818   1.7066 -0.6350479 2.316404 
1 1 1   15    9   26 o   21.635   1.9398  485.241   80.348  465.093  104.512  514.357  125.641   21.201   2.5395   22.068   2.9329 -0.8674393 3.879522 
1 1 1   15   10    0 o   43.713   0.5913  1854.05   50.137  1832.98   69.421  1877.03   72.488   43.454   0.8230   43.972   0.8492 -0.5187988 1.182585 
1 1 1   15   10    1 o   53.614   0.5947  2793.57   61.826  2915.28   86.821  2668.34   88.063   54.801   0.8162   52.428   0.8653 2.372810 1.189470 
1 1 1   15   10    2 o  188.392   1.2200 34454.88  443.269 34296.59  593.464 34654.63  666.654  187.911   1.6270  188.873   1.8183 -0.9615631 2.439917 
1 1 1   15   10    3 o  143.326   1.0333 19963.30  286.811 20137.99  393.307 19764.90  419.149  144.000   1.4070  142.653   1.5136 1.346802 2.066602 
1 1 1   15   10    4 o   93.904   0.7890  8548.63  143.454  8380.03  195.197  8746.64  211.535   92.900   1.0824   94.908   1.1482 -2.007965 1.577954 
1 1 1   15   10    5 o   15.631   1.3056  238.652   39.254  200.577   55.259  277.434   55.771   14.364   1.9818   16.897   1.7003 -2.532817 2.611202 
1 1 1   15   10    6 o   72.910   0.6921  5159.84   97.883  5114.60  135.684  5208.94  141.345   72.578   0.9631   73.243   0.9941 -0.6653214 1.384140 
1 1 1   15   10    7 o   86.944   0.7812  7340.80  131.834  7252.00  185.951  7430.54  186.936   86.416   1.1085   87.473   1.1009 -1.057587 1.562310 
1 1 1   15   10    8 o   46.941   0.6587  2144.87   59.869  2260.62   83.404  2021.83   85.991   48.252   0.8905   45.630   0.9708 2.621189 1.317336 
1 1 1   15   10    9 o   92.278   0.8099  8266.43  145.036  8520.66  207.488  8023.52  202.817   93.665   1.1412   90.891   1.1495 2.773933 1.619784 
1 1 1   15   10   10 f   37.495   0.6921  1365.38   50.369  1375.20   71.026  1355.46   71.440   37.631   0.9723   37.359   0.9851 0.2713318 1.384136 
1 1 1   15   10   11 o   54.413   0.6755  2876.49   71.310  2913.08   99.543  2837.91  102.205   54.770   0.9363   54.057   0.9740 0.7124519 1.351023 
1 1 1   15   10   12 o  106.853   0.9074 11094.10  188.206 11236.40  266.648 10952.84  265.682  107.537   1.2774  106.170   1.2891 1.366623 1.814805 
1 1 1   15   10   13 o   20.022   1.2951  395.462   49.609  435.543   67.084  347.088   73.698   21.162   1.6330   18.882   2.0107 2.280443 2.590270 
1 1 1   15   10   14 f   19.939   1.2219  386.619   47.257  380.934   65.410  392.826   68.351   19.786   1.7030   20.091   1.7526 -0.3049679 2.443724 
1 1 1   15   10   15 o   90.511   0.8750  7962.42  153.732  7886.15  216.926  8039.38  217.898   90.075   1.2406   90.947   1.2342 -0.8715439 1.750002 
1 1 1   15   10   16 o   36.998   0.9066  1329.27   64.995  1444.71   93.678  1222.12   90.252   38.547   1.2519   35.450   1.3115 3.096664 1.813132 
1 1 1   15   10   17 o   48.267   1.1487  2335.96   93.561  2130.99  181.521  2410.11  109.181   46.742   2.0006   49.792   1.1296 -3.049946 2.297433 
1 1 1   15   10   18 o   47.002   0.8200  2150.24   74.715  2112.85  107.933  2184.64  103.530   46.607   1.1930   47.398   1.1252 -0.7908249 1.639945 
1 1 1   15   10   19 o   26.671   1.1421  690.563   58.700  666.094   77.855  722.795   89.356   26.133   1.5347   27.209   1.6918 -1.075359 2.284215 
1 1 1   15   10   20 o   49.850   0.8368  2415.93   80.612  2372.08  108.549  2469.84  120.371   49.354   1.1330   50.345   1.2317 -0.9915237 1.673547 
1 1 1   15   10   21 o   36.516   0.9679  1304.71   68.254  1329.66   92.492  1274.89  101.138   36.912   1.2908   36.120   1.4425 0.7926826 1.935713 
1 1 1   15   10   22 o   22.797   1.2366  510.093   54.655  486.605   75.030  536.646   79.776   22.241   1.7378   23.353   1.7598 -1.111658 2.473282 
1 1 1   15   10   23 o   19.967   1.6015  399.071   61.988  404.399   85.872  393.274   89.575   20.123   2.1983   19.810   2.3293 0.3128929 3.202903 
1 1 1   15   10   24 o   13.168   2.3195  186.683   59.050  201.848   86.019  173.167   81.208   13.672   3.2826   12.664   3.2780 1.008193 4.639023 
1 1 1   15   10   25 o   14.405   2.3012  229.544   65.280  300.052   90.229  152.099   94.563   17.045   2.7269   11.766   3.7076 5.279667 4.602467 
1 1 1   15   10   26 o   27.331   2.3260  765.977  123.405  765.977  123.405   0.0000   0.0000   27.331   2.3260  ?   ?       ?      ? 
1 1 1   15   11    0 o   69.384   0.6490  4672.56   87.321  4653.55  120.709  4693.42  126.473   69.236   0.8981   69.531   0.9370 -0.2953415 1.297951 
1 1 1   15   11    1 o  114.055   0.8879 12639.77  196.397 12870.75  273.455 12393.69  282.248  115.133   1.2235  112.977   1.2870 2.156204 1.775788 
1 1 1   15   11    2 o   49.395   0.7220  2374.57   65.803  2387.57   81.399  2350.04  111.789   49.593   0.8455   49.197   1.1706 0.3958817 1.444022 
1 1 1   15   11    3 o  103.752   0.8406 10445.47  169.007 10338.13  231.678 10567.56  247.088  103.184   1.1567  104.320   1.2202 -1.136154 1.681279 
1 1 1   15   11    4 o  191.586   1.2396 35697.38  458.696 35994.87  619.834 35337.22  682.003  192.480   1.6589  190.691   1.8424 1.788727 2.479223 
1 1 1   15   11    5 o   73.154   0.7077  5195.40  100.482  5327.10  142.984  5066.90  141.238   74.070   0.9944   72.238   1.0072 1.831955 1.415416 
1 1 1   15   11    6 o  158.272   1.1053 24367.32  338.541 24732.69  462.996 23947.54  496.272  159.555   1.4949  156.988   1.6285 2.566986 2.210570 
1 1 1   15   11    7 o   99.770   0.8221  9656.03  158.887  9503.11  216.959  9832.90  233.335   98.921   1.1299  100.619   1.1946 -1.698303 1.644299 
1 1 1   15   11    8 o  148.745   1.2038 21504.58  347.595 21359.91  490.882 21650.06  492.267  148.242   1.7058  149.247   1.6991 -1.004303 2.407698 
1 1 1   15   11    9 o   91.557   0.7788  8140.18  138.395  8203.53  197.998  8079.66  193.520   91.905   1.1098   91.210   1.0930 0.6955948 1.557679 
1 1 1   15   11   10 o  138.401   1.2107 18624.46  325.257 18725.41  460.780 18524.20  459.191  138.775   1.7105  138.027   1.7138 0.7480621 2.421336 
1 1 1   15   11   11 o  107.843   0.9016 11300.32  188.717 11342.91  265.009 11256.49  268.805  108.050   1.2635  107.636   1.2865 0.4143753 1.803195 
1 1 1   15   11   12 o   27.654   0.9613  743.886   51.388  750.981   69.725  735.451   76.030   27.800   1.2920   27.508   1.4238 0.2923145 1.922685 
1 1 1   15   11   13 o   21.652   1.1911  458.569   49.718  483.226   67.644  429.598   73.322   22.292   1.5632   21.013   1.7976 1.279636 2.382177 
1 1 1   15   11   14 o  127.929   1.1366 15920.61  282.250 15809.16  397.374 16034.09  400.973  127.477   1.6058  128.380   1.6090 -0.9030838 2.273226 
1 1 1   15   11   15 o   54.344   0.7471  2871.53   78.759  2955.32  110.459  2784.89  112.329   55.153   1.0317   53.536   1.0809 1.616531 1.494258 
1 1 1   15   11   16 o   24.151   1.2649  568.198   59.298  572.008   83.475  564.317   84.250   24.234   1.7745   24.069   1.8032 0.1648407 2.529898 
1 1 1   15   11   17 f   84.232   0.8619  6899.19  140.930  6900.20  200.260  6898.20  198.364   84.237   1.2247   84.227   1.2132 0.1073456E-01 1.723894 
1 1 1   15   11   18 o   36.901   0.9366  1323.58   67.044  1280.25   92.677  1371.15   97.107   36.269   1.3163   37.533   1.3328 -1.264183 1.873269 
1 1 1   15   11   19 o   26.143   1.1872  662.929   60.017  590.841   81.482  748.419   88.734   24.597   1.7065   27.689   1.6509 -3.091843 2.374405 
1 1 1   15   11   20 o   28.671   1.0637  802.807   59.195  792.184   84.004  813.285   83.427   28.481   1.5194   28.861   1.4891 -0.3803406 2.127492 
1 1 1   15   11   21 o   32.758   1.0416  1052.01   66.026  1135.18   92.694  966.352   94.070   34.087   1.4009   31.429   1.5419 2.658489 2.083250 
1 1 1   15   11   22 o   14.374   2.1788  215.322   58.984  184.962   80.688  250.164   86.441   13.245   3.1787   15.503   2.9806 -2.257900 4.357507 
1 1 1   15   11   23 o   27.657   1.1259  754.431   60.316  762.017   82.888  745.892   87.935   27.820   1.5349   27.494   1.6476 0.3256702 2.251771 
1 1 1   15   11   24 o   8.0132   2.3445   23.701   60.940   55.837   83.200 -13.4936   89.510   8.7053   3.4009   7.3210   3.2282 1.384347 4.689044 
1 1 1   15   11   25 o   20.915   1.5191  440.529   61.118  366.243   84.056  523.861   89.027   18.998   2.2793   22.832   2.0087 -3.834436 3.038106 
1 1 1   15   11   26 o   32.210   2.0709  1053.16  129.487  1053.16  129.487   0.0000   0.0000   32.210   2.0709  ?   ?       ?      ? 
1 1 1   15   12    0 o  195.311   1.2378 37030.66  466.585 36839.56  626.353 37268.93  699.372  194.753   1.6568  195.868   1.8394 -1.115341 2.475563 
1 1 1   15   12    1 o   18.444   1.0724  332.882   38.100  359.811   52.218  302.224   55.715   19.249   1.3975   17.640   1.6271 1.609163 2.144879 
1 1 1   15   12    2 o  135.209   1.0000 17763.02  261.750 17873.73  357.787 17635.54  383.936  135.665   1.3586  134.752   1.4678 0.9133148 2.000037 
1 1 1   15   12    3 o  107.088   0.8505 11129.26  176.494 11026.79  242.015 11245.66  257.948  106.563   1.1700  107.612   1.2348 -1.049538 1.701057 
1 1 1   15   12    4 o  189.793   1.2214 34997.77  447.191 34964.91  599.810 35038.89  671.011  189.704   1.6288  189.881   1.8205 -0.1764832 2.442771 
1 1 1   15   12    5 o   93.523   0.7824  8498.42  141.916  8628.92  197.600  8359.40  203.949   94.266   1.0799   92.780   1.1324 1.486076 1.564751 
1 1 1   15   12    6 f   70.449   0.6835  4813.47   93.342  4716.58  128.230  4922.66  136.137   69.697   0.9478   71.202   0.9850 -1.505211 1.366916 
1 1 1   15   12    7 o   31.319   0.7611  958.926   45.772  1002.17   61.242  904.200   68.893   32.126   0.9820   30.512   1.1632 1.613497 1.522283 
1 1 1   15   12    8 o   83.338   0.7334  6743.93  118.631  6651.56  166.908  6838.25  168.646   82.762   1.0389   83.915   1.0353 -1.153557 1.466704 
1 1 1   15   12    9 o   99.731   0.9006  9658.04  174.280  9802.07  250.951  9523.86  242.218  100.448   1.2870   99.014   1.2602 1.433838 1.801271 
1 1 1   15   12   10 o   98.982   0.8448  9518.55  162.298  9682.87  229.388  9353.83  229.662   99.839   1.1836   98.126   1.2057 1.712616 1.689563 
1 1 1   15   12   11 o  128.494   1.1324 16042.61  282.377 16452.17  405.191 15655.88  393.737  130.087   1.6046  126.901   1.5984 3.186409 2.264820 
1 1 1   15   12   12 o   62.778   0.6974  3828.56   84.939  3856.45  118.501  3799.09  121.810   63.013   0.9688   62.542   1.0033 0.4719162 1.394715 
1 1 1   15   12   13 o   59.098   0.7150  3392.54   82.008  3479.64  116.316  3306.45  115.642   59.852   1.0011   58.343   1.0211 1.509418 1.429995 
1 1 1   15   12   14 o   70.382   0.7575  4811.52  103.472  4917.65  147.824  4709.56  144.884   71.143   1.0704   69.621   1.0720 1.521568 1.514944 
1 1 1   15   12   15 o   29.429   1.0197  841.346   58.190  823.032   80.125  861.786   84.648   29.091   1.4189   29.766   1.4650 -0.6750698 2.039449 
1 1 1   15   12   16 o   60.195   0.8771  3493.97   99.441  3640.81  163.081  3407.06  125.464   61.182   1.3731   59.209   1.0916 1.973793 1.754169 
1 1 1   15   12   17 o   62.947   0.7849  3852.50   95.893  3919.75  135.328  3784.69  135.901   63.500   1.0979   62.395   1.1220 1.105728 1.569802 
1 1 1   15   12   18 o   60.130   0.7841  3514.50   91.481  3455.92  127.112  3577.44  131.761   59.611   1.0985   60.648   1.1192 -1.036743 1.568197 
1 1 1   15   12   19 o   30.032   1.0841  880.362   63.155  896.456   88.159  863.397   90.516   30.317   1.4980   29.746   1.5676 0.5711193 2.168240 
1 1 1   15   12   20 o   47.089   0.8005  2157.59   73.133  2226.70  105.645  2093.99  101.340   47.811   1.1383   46.366   1.1259 1.444752 1.601079 
1 1 1   15   12   21 o   43.625   0.8245  1855.95   69.808  1859.70   97.879  1852.08   99.590   43.672   1.1546   43.579   1.1773 0.9352875E-01 1.648937 
1 1 1   15   12   22 o   29.398   1.1240  845.664   63.996  800.140   86.968  899.424   94.510   28.543   1.5696   30.253   1.6093 -1.709955 2.248050 
1 1 1   15   12   23 o   17.553   1.8179  320.889   59.044  262.188   86.505  372.089   80.789   15.804   2.9276   19.303   2.1561 -3.499064 3.635827 
1 1 1   15   12   24 o   31.704   1.0782  991.279   66.329  960.773   92.337  1023.80   95.341   31.200   1.5246   32.207   1.5250 -1.007019 2.156361 
1 1 1   15   12   25 o   6.9999   2.1880 -14.0936   58.938 -35.4725   84.831   5.8561   81.947   6.6585   3.0225   7.3414   3.1645 -0.6829147 4.376032 
1 1 1   15   12   26 o   16.372   3.7291  308.570  115.865  308.570  115.865   0.0000   0.0000   16.372   3.7291  ?   ?       ?      ? 
1 1 1   15   13    0 o  101.575   0.8289 10015.02  163.200  9966.75  224.572 10069.05  237.576  101.317   1.1419  101.833   1.2018 -0.5166321 1.657785 
1 1 1   15   13    1 o   54.691   0.7259  2905.19   73.177  2907.72   90.317  2900.37  124.848   54.728   0.8501   54.654   1.1768 0.7450867E-01 1.451746 
1 1 1   15   13    2 f   16.889   1.2398  276.843   40.315  274.891   53.605  279.383   61.167   16.822   1.6416   16.957   1.8583 -0.1347656 2.479556 
1 1 1   15   13    3 o   72.156   0.6796  5056.69   95.156  5180.48  134.097  4931.13  135.049   73.046   0.9457   71.266   0.9762 1.780327 1.359174 
1 1 1   15   13    4 o  133.220   1.0205 17230.14  263.786 16933.63  366.443 17549.03  380.029  132.032   1.4298  134.408   1.4566 -2.375641 2.041016 
1 1 1   15   13    5 o  119.216   0.9377 13806.47  216.658 13835.02  298.365 13774.62  315.124  119.349   1.2878  119.083   1.3632 0.2658615 1.875339 
1 1 1   15   13    6 o   65.005   0.6746  4104.99   85.078  4239.59  119.969  3968.80  120.671   66.078   0.9353   63.932   0.9723 2.146038 1.349146 
1 1 1   15   13    7 o  136.002   1.0280 17960.57  271.255 18276.48  391.227 17668.12  376.427  137.151   1.4695  134.852   1.4380 2.298965 2.056011 
1 1 1   15   13    8 o   46.628   0.6534  2109.96   58.979  2095.53   80.371  2126.79   86.820   46.456   0.8912   46.800   0.9557 -0.3439102 1.306752 
1 1 1   15   13    9 o  102.399   0.8685 10184.79  172.609 10107.17  241.664 10265.63  246.625  102.002   1.2205  102.797   1.2359 -0.7952957 1.736992 
1 1 1   15   13   10 o  125.805   1.0495 15382.48  256.292 15409.33  361.259 15355.26  363.657  125.916   1.4780  125.694   1.4904 0.2225571 2.099008 
1 1 1   15   13   11 o  120.167   0.9714 14031.70  226.581 13944.82  318.470 14120.74  322.435  119.791   1.3696  120.543   1.3780 -0.7523270 1.942795 
1 1 1   15   13   12 o   54.882   0.7151  2927.05   76.127  2970.55  106.102  2880.89  109.287   55.303   0.9883   54.460   1.0338 0.8428383 1.430212 
1 1 1   15   13   13 o   50.022   0.7094  2431.43   68.861  2382.80   98.018  2478.82   96.763   49.528   1.0195   50.517   0.9867 -0.9894028 1.418829 
1 1 1   15   13   14 o   26.155   1.0981  661.774   55.579  596.721   75.673  737.967   81.896   24.766   1.5740   27.544   1.5317 -2.777323 2.196276 
1 1 1   15   13   15 o   37.959   0.9670  1390.97   69.971  1454.41  110.970  1349.10   90.151   38.666   1.4785   37.252   1.2467 1.413689 1.933935 
1 1 1   15   13   16 o   26.422   1.2009  692.399   60.372  818.391   83.431  553.915   87.469   29.002   1.4820   23.842   1.8900 5.160442 2.401705 
1 1 1   15   13   17 o   23.635   1.3498  547.265   61.536  571.181   83.617  519.008   90.888   24.208   1.7793   23.062   2.0302 1.146513 2.699611 
1 1 1   15   13   18 o   42.438   0.8608  1755.48   70.779  1861.43   99.513  1647.01  100.691   43.740   1.1720   41.136   1.2610 2.604095 1.721519 
1 1 1   15   13   19 o   11.133   2.3216  115.101   58.561   41.359   80.775  196.805   85.024   8.4546   3.3363   13.811   3.2292 -5.356504 4.643137 
1 1 1   15   13   20 o   34.247   0.9701  1144.59   64.495  1149.75   91.378  1139.46   91.042   34.324   1.3714   34.170   1.3726 0.1540565 1.940285 
1 1 1   15   13   21 o   27.093   1.1531  722.013   60.400  771.208   83.863  668.988   87.065   28.070   1.5391   26.116   1.7174 1.953215 2.306135 
1 1 1   15   13   22 o   26.363   1.2266  677.013   62.215  563.243   83.654  817.833   93.069   23.896   1.8034   28.829   1.6631 -4.933062 2.453160 
1 1 1   15   13   23 o   34.353   1.0015  1158.74   66.749  1108.75   92.967  1211.92   95.895   33.586   1.4259   35.120   1.4066 -1.533916 2.002974 
1 1 1   15   13   24 o   32.000   1.0615  1012.97   65.724  922.899   93.150  1102.26   92.748   30.555   1.5705   33.445   1.4286 -2.889713 2.123032 
1 1 1   15   13   25 o   9.1562   2.4249   58.829   63.824 -15.6400   90.407  132.820   90.116   7.2365   3.2149   11.076   3.6312 -3.839310 4.849886 
1 1 1   15   13   26 o   8.4681   3.7625  -3.1950  123.875  -3.1950  123.875   0.0000   0.0000   8.4681   3.7625  ?   ?       ?      ? 
1 1 1   15   14    0 o  174.376   1.1659 29499.72  392.575 29184.84  527.506 29890.63  587.735  173.341   1.5677  175.411   1.7261 -2.069763 2.331738 
1 1 1   15   14    1 o  105.330   0.8606 10772.25  175.686 10755.74  241.744 10790.73  255.762  105.246   1.1833  105.414   1.2499 -0.1682968 1.721155 
1 1 1   15   14    2 o   53.686   0.6202  2799.89   64.569  2841.54   89.702  2755.10   93.017   54.101   0.8542   53.271   0.8995 0.8299904 1.240440 
1 1 1   15   14    3 o   63.866   0.6450  3954.98   79.860  3865.92  109.663  4055.54  116.528   63.102   0.8953   64.630   0.9288 -1.528263 1.290042 
1 1 1   15   14    4 o  129.330   0.9805 16223.55  245.391 15959.20  332.995 16537.72  363.015  128.182   1.3383  130.477   1.4333 -2.295471 1.960923 
1 1 1   15   14    5 o  128.271   0.9790 15981.81  243.322 15966.66  334.133 15998.92  355.036  128.210   1.3426  128.333   1.4252 -0.1231689 1.957954 
1 1 1   15   14    6 o  157.965   1.1523 24251.38  353.298 24553.04  498.404 23946.72  500.882  158.954   1.6153  156.976   1.6438 1.978271 2.304561 
1 1 1   15   14    7 o  112.445   0.9235 12282.52  201.541 12298.56  282.357 12265.86  287.764  112.520   1.2927  112.369   1.3192 0.1516037 1.847027 
1 1 1   15   14    8 o  106.874   0.8657 11092.49  179.431 11043.32  248.118 11146.39  259.792  106.628   1.1987  107.121   1.2494 -0.4929733 1.731432 
1 1 1   15   14    9 o   64.159   0.6809  3997.06   84.774  3978.58  118.339  4016.53  121.501   64.007   0.9524   64.311   0.9733 -0.3037491 1.361752 
1 1 1   15   14   10 o  105.699   0.8965 10854.60  183.926 10691.89  259.664 11018.43  260.561  104.904   1.2751  106.495   1.2604 -1.591072 1.792942 
1 1 1   15   14   11 o   52.777   0.6774  2705.65   69.377  2682.94   99.040  2727.53   97.212   52.560   0.9707   52.995   0.9450 -0.4357986 1.354721 
1 1 1   15   14   12 o  104.400   0.9255 10589.82  187.532 10875.19  267.171 10312.68  263.293  105.787   1.3010  103.013   1.3167 2.773750 1.851048 
1 1 1   15   14   13 o  104.557   0.9554 10626.63  193.917 10656.31  274.606 10597.10  273.876  104.703   1.3511  104.411   1.3513 0.2912903 1.910858 
1 1 1   15   14   14 o   56.027   0.8626  3042.54   90.597  3082.96  149.372  3019.02  113.948   56.311   1.3665   55.743   1.0530 0.5674133 1.725187 
1 1 1   15   14   15 o   49.067   0.7597  2338.22   72.267  2311.74   99.421  2367.87  105.229   48.774   1.0501   49.360   1.0982 -0.5857582 1.519482 
1 1 1   15   14   16 o   99.111   0.9376  9553.46  180.370  9558.88  253.400  9547.89  256.796   99.141   1.3167   99.081   1.3352 0.5979919E-01 1.875198 
1 1 1   15   14   17 o   47.051   0.8090  2155.04   73.789  2213.28  102.579  2092.59  106.223   47.713   1.1075   46.389   1.1796 1.324348 1.618061 
1 1 1   15   14   18 o   49.384   0.7873  2371.77   75.453  2287.76  105.775  2458.79  107.664   48.493   1.1237   50.275   1.1032 -1.782085 1.574693 
1 1 1   15   14   19 o   41.261   0.8476  1660.78   67.697  1700.11   92.943  1616.33   98.801   41.789   1.1458   40.734   1.2495 1.054367 1.695299 
1 1 1   15   14   20 o   11.192   2.3236  121.609   59.627  199.308   82.926   38.434   85.798   13.862   3.1530   8.5227   3.4139 5.338816 4.647173 
1 1 1   15   14   21 o   29.090   1.1000  831.162   61.729  720.874   86.806  943.984   87.798   27.115   1.6492   31.064   1.4560 -3.948135 2.199958 
1 1 1   15   14   22 o   28.477   1.1284  796.289   62.317  823.309   90.640  772.068   85.818   28.931   1.6140   28.024   1.5775 0.9064388 2.256891 
1 1 1   15   14   23 o   19.039   1.7043  364.539   62.983  369.189   89.356  359.949   88.789   19.161   2.4023   18.916   2.4181 0.2456112 3.408548 
1 1 1   15   14   24 f   13.082   2.3352  186.424   59.262  182.881   81.965  190.305   85.784   12.964   3.2603   13.199   3.3441 -0.2352629 4.670368 
1 1 1   15   14   25 o   19.452   1.7554  390.301   65.835  432.162   92.069  346.500   94.177   20.599   2.3025   18.306   2.6503 2.293524 3.510785 
1 1 1   15   14   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15    0 o   67.681   0.6451  4438.87   84.558  4330.86  115.205  4565.02  124.501   66.790   0.8886   68.571   0.9353 -1.780869 1.290119 
1 1 1   15   15    1 o   63.900   0.6320  3963.81   78.288  3955.80  107.870  3972.73  113.800   63.832   0.8706   63.968   0.9165 -0.1355515 1.264026 
1 1 1   15   15    2 o   56.537   0.6128  3104.77   67.144  3130.35   92.609  3076.44   97.491   56.783   0.8402   56.291   0.8922 0.4920502 1.225519 
1 1 1   15   15    3 o   80.814   0.7241  6335.15  113.438  6225.88  155.898  6458.10  165.371   80.074   1.0030   81.553   1.0446 -1.478264 1.448153 
1 1 1   15   15    4 o  109.323   0.8730 11600.84  184.838 11510.32  252.604 11705.18  271.185  108.867   1.1953  109.780   1.2726 -0.9132233 1.745902 
1 1 1   15   15    5 o   41.951   0.6457  1710.50   52.495  1743.56   72.608  1674.28   75.985   42.377   0.8827   41.525   0.9426 0.8514671 1.291384 
1 1 1   15   15    6 o   35.194   0.7089  1197.91   48.257  1148.72   65.070  1258.02   71.936   34.395   0.9746   35.993   1.0296 -1.598213 1.417714 
1 1 1   15   15    7 o  104.084   0.8852 10523.05  178.834 10650.83  253.167 10395.79  252.654  104.715   1.2455  103.453   1.2581 1.262115 1.770318 
1 1 1   15   15    8 o   50.379   0.6377  2466.56   62.292  2517.70   86.675  2411.94   89.586   50.920   0.8769   49.838   0.9260 1.082249 1.275300 
1 1 1   15   15    9 o   39.850   0.6917  1541.70   53.448  1532.36   73.718  1552.05   77.605   39.723   0.9560   39.976   1.0001 -0.2533836 1.383499 
1 1 1   15   15   10 o   60.845   0.6890  3596.00   81.338  3613.59  113.293  3577.30  116.847   60.999   0.9568   60.691   0.9918 0.3083534 1.378085 
1 1 1   15   15   11 o   52.228   0.6684  2648.17   67.747  2608.71   94.512  2689.87   97.161   51.828   0.9394   52.628   0.9511 -0.7996750 1.336804 
1 1 1   15   15   12 o   86.230   0.8104  7210.00  135.473  6970.37  185.766  7482.20  197.993   84.704   1.1298   87.756   1.1623 -3.052353 1.620898 
1 1 1   15   15   13 o   86.836   1.0094  7315.08  161.169  7383.69  277.108  7280.01  198.126   87.119   1.6386   86.554   1.1792 0.5651016 2.018792 
1 1 1   15   15   14 o   91.027   0.8684  8054.23  153.417  8096.76  215.043  8010.15  218.938   91.273   1.2137   90.781   1.2424 0.4924011 1.736854 
1 1 1   15   15   15 o   64.006   0.7521  3981.29   93.316  3980.19  128.667  3982.51  135.540   63.999   1.0357   64.013   1.0908 -0.1444244E-01 1.504142 
1 1 1   15   15   16 f   84.885   0.8520  6990.68  140.218  6706.08  192.587  7311.73  204.549   83.051   1.1946   86.718   1.2151 -3.666656 1.703985 
1 1 1   15   15   17 o   51.021   0.7572  2530.81   74.948  2408.55  105.376  2655.98  106.618   49.773   1.0906   52.270   1.0508 -2.497299 1.514485 
1 1 1   15   15   18 o   54.549   0.7631  2896.40   80.680  2861.31  116.977  2928.23  111.423   54.230   1.1112   54.868   1.0461 -0.6380386 1.526177 
1 1 1   15   15   19 f   33.090   1.1695  1059.23   71.750  1034.90   88.667  1105.40  122.121   32.576   1.4022   33.605   1.8721 -1.028954 2.338953 
1 1 1   15   15   20 o   50.736   0.7972  2505.75   78.395  2465.14  107.565  2551.76  114.495   50.302   1.1016   51.169   1.1527 -0.8669319 1.594424 
1 1 1   15   15   21 o   16.628   1.8435  274.248   59.363  254.086   80.784  297.914   87.523   15.967   2.6064   17.289   2.6078 -1.322111 3.686988 
1 1 1   15   15   22 f   52.654   0.7949  2708.16   81.183  2734.81  117.392  2683.73  112.392   52.896   1.1433   52.412   1.1047 0.4841919 1.589799 
1 1 1   15   15   23 f   13.751   2.1915  201.685   61.177  305.816   86.812   98.958   86.225   17.392   2.5714   10.111   3.5494 7.281290 4.382912 
1 1 1   15   15   24 o   10.361   2.5084  107.682   62.126   73.242   88.152  141.668   87.570   9.2791   3.5329   11.442   3.5618 -2.162902 5.016788 
1 1 1   15   15   25 f   8.7246   2.3397   20.245   64.598  144.484   94.446 -88.9658   88.549   11.446   3.7158   6.0033   2.8444 5.442506 4.679466 
1 1 1   15   15   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16    0 o  110.729   0.8717 11900.44  187.030 11804.12  256.424 12009.92  273.391  110.252   1.1981  111.206   1.2665 -0.9536362 1.743396 
1 1 1   15   16    1 o   95.375   0.7925  8827.75  146.514  8737.57  201.419  8929.09  213.515   94.859   1.0938   95.891   1.1471 -1.031837 1.585002 
1 1 1   15   16    2 o   50.916   0.6086  2517.56   60.132  2549.05   84.327  2484.99   85.771   51.240   0.8478   50.592   0.8734 0.6484337 1.217182 
1 1 1   15   16    3 o   77.653   0.7096  5859.53  106.871  5986.08  149.044  5725.60  153.323   78.518   0.9779   76.789   1.0286 1.728989 1.419243 
1 1 1   15   16    4 o  144.979   1.0572 20456.74  296.773 21028.74  408.981 19820.59  431.309  147.129   1.4320  142.828   1.5556 4.300293 2.114383 
1 1 1   15   16    5 o   57.506   0.6425  3211.41   71.707  3274.40  101.219  3147.96  101.601   58.072   0.8979   56.939   0.9192 1.132763 1.284988 
1 1 1   15   16    6 o   34.190   0.7188  1129.01   47.455  1079.25   63.380  1192.50   71.590   33.338   0.9794   35.042   1.0524 -1.704231 1.437636 
1 1 1   15   16    7 o   90.798   0.7771  8006.25  136.955  7962.52  192.795  8050.79  194.583   90.547   1.0969   91.048   1.1010 -0.5002747 1.554103 
1 1 1   15   16    8 o   43.227   0.6484  1806.43   54.215  1725.07   73.037  1906.29   80.910   42.149   0.8927   44.306   0.9407 -2.157429 1.296875 
1 1 1   15   16    9 o   33.873   0.7636  1113.25   50.124  1095.47   68.652  1133.56   73.354   33.584   1.0531   34.162   1.1062 -0.5776787 1.527254 
1 1 1   15   16   10 o  106.118   0.8927 10941.19  183.858 10950.36  257.779 10931.69  262.309  106.164   1.2509  106.072   1.2739 0.9252930E-01 1.785372 
1 1 1   15   16   11 o   65.439   0.6958  4156.53   88.353  4076.23  122.778  4242.77  127.242   64.784   0.9763   66.093   0.9918 -1.309456 1.391678 
1 1 1   15   16   12 o  140.033   1.2570 18995.33  331.536 19422.19  541.328 18739.12  419.395  141.247   1.9743  138.820   1.5563 2.427216 2.513988 
1 1 1   15   16   13 o   37.947   0.7930  1399.64   58.360  1478.51   82.906  1322.17   82.165   39.008   1.0949   36.886   1.1475 2.122051 1.586038 
1 1 1   15   16   14 o   44.383   0.7851  1917.23   67.192  1942.16   90.307  1886.33  100.567   44.710   1.0405   44.056   1.1759 0.6535645 1.570202 
1 1 1   15   16   15 o   46.277   0.9806  2146.41   80.534  2249.71   97.368  1922.69  143.292   48.115   1.0425   44.439   1.6611 3.675774 1.961107 
1 1 1   15   16   16 o   28.914   1.0062  814.788   56.340  751.377   79.755  877.950   79.598   27.786   1.4787   30.041   1.3650 -2.255283 2.012344 
1 1 1   15   16   17 o   26.187   1.0884  666.078   55.130  750.282   80.145  590.449   75.955   27.757   1.4875   24.618   1.5894 3.139200 2.176887 
1 1 1   15   16   18 o   62.934   0.7557  3843.08   92.184  4036.73  135.020  3674.00  126.166   64.414   1.0798   61.454   1.0576 2.959106 1.511482 
1 1 1   15   16   19 o   50.608   0.7923  2497.82   77.658  2423.48  112.638  2565.17  107.214   49.883   1.1632   51.334   1.0759 -1.450230 1.584528 
1 1 1   15   16   20 o   12.234   2.3101  152.965   58.819  221.856   84.001   86.696   82.387   14.647   3.0534   9.8210   3.4675 4.825816 4.620246 
1 1 1   15   16   21 o   14.891   2.1305  227.449   60.546  147.032   82.743  320.137   88.831   11.866   3.4108   17.917   2.5541 -6.051456 4.261066 
1 1 1   15   16   22 o   20.727   1.4885  427.955   59.770  457.426   84.422  398.337   84.633   21.462   2.0264   19.992   2.1808 1.469904 2.976999 
1 1 1   15   16   23 o   32.954   0.9858  1062.36   62.807  1119.92   93.994  1015.93   84.420   33.744   1.4349   32.163   1.3521 1.581028 1.971613 
1 1 1   15   16   24 o   8.3024   2.3866   35.927   61.612   68.432   86.103   1.8183   88.201   9.0781   3.4832   7.5268   3.2637 1.551273 4.773244 
1 1 1   15   16   25 o   12.582   2.4808  179.993   64.903  126.564   95.148  226.487   88.759   10.860   3.7332   14.303   3.2682 -3.443618 4.961642 
1 1 1   15   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17    0 o   80.067   0.8746  6256.19  126.791  6310.92  154.074  6141.39  223.163   80.621   0.9845   79.513   1.4458 1.107430 1.749187 
1 1 1   15   17    1 o  107.424   0.8719 11200.83  181.458 11106.73  248.518 11308.28  265.570  106.943   1.1971  107.905   1.2679 -0.9621964 1.743733 
1 1 1   15   17    2 o  106.430   0.8693 10991.56  179.293 10841.71  245.874 11161.73  262.012  105.658   1.1988  107.202   1.2591 -1.544678 1.738502 
1 1 1   15   17    3 o   63.192   0.6458  3876.69   79.165  3866.32  109.796  3887.91  114.249   63.104   0.8963   63.279   0.9301 -0.1750526 1.291691 
1 1 1   15   17    4 o   20.466   1.0047  413.684   39.176  491.251   54.459  330.491   56.399   22.490   1.2474   18.443   1.5754 4.047087 2.009468 
1 1 1   15   17    5 o  120.794   0.9369 14171.59  219.652 13797.25  308.581 14556.07  312.731  119.177   1.3339  122.412   1.3161 -3.234764 1.873835 
1 1 1   15   17    6 o   19.111   1.1313  354.814   41.938  351.635   58.075  358.278   60.626   19.022   1.5728   19.200   1.6266 -0.1780434 2.262612 
1 1 1   15   17    7 o   92.862   0.7919  8375.69  142.737  8426.92  201.386  8323.97  202.338   93.148   1.1138   92.576   1.1259 0.5713959 1.583726 
1 1 1   15   17    8 o  118.260   0.9459 13588.40  217.142 13702.91  307.862 13475.05  306.314  118.756   1.3355  117.764   1.3400 0.9919281 1.891821 
1 1 1   15   17    9 o   24.979   0.9539  612.308   45.788  687.716   63.380  529.990   66.220   26.606   1.2272   23.352   1.4608 3.254023 1.907861 
1 1 1   15   17   10 o   74.219   0.7424  5347.90  106.871  5294.24  147.826  5406.65  154.684   73.830   1.0315   74.608   1.0681 -0.7777939 1.484816 
1 1 1   15   17   11 o  121.392   1.1313 14284.07  257.973 14506.14  423.420 14152.97  325.326  122.112   1.7863  120.671   1.3888 1.440804 2.262658 
1 1 1   15   17   12 o   72.665   0.7494  5128.76  105.671  5102.31  147.365  5156.75  151.609   72.473   1.0475   72.857   1.0720 -0.3841095 1.498800 
1 1 1   15   17   13 o   93.262   0.8855  8453.23  160.270  8406.60  223.774  8502.34  229.654   92.999   1.2396   93.525   1.2650 -0.5252991 1.771057 
1 1 1   15   17   14 f   42.987   0.9652  1821.04   75.170  1866.41   91.797  1728.71  130.961   43.826   1.0790   42.148   1.6007 1.677650 1.930399 
1 1 1   15   17   15 o   58.499   0.7335  3325.11   83.289  3279.17  117.092  3372.16  118.497   58.090   1.0384   58.908   1.0363 -0.8180656 1.466996 
1 1 1   15   17   16 o   28.203   1.0375  773.780   56.599  864.636   81.370  688.616   78.780   29.809   1.4062   26.597   1.5259 3.212664 2.075031 
1 1 1   15   17   17 o   58.317   0.7506  3306.23   84.949  3332.71  121.788  3281.15  118.551   58.543   1.0717   58.091   1.0513 0.4525719 1.501247 
1 1 1   15   17   18 o   43.390   0.8146  1837.22   68.425  1741.26   98.689  1926.06   94.955   42.291   1.2021   44.490   1.0995 -2.198776 1.629121 
1 1 1   15   17   19 f   32.758   0.9724  1044.37   61.762  1108.29   89.824  987.059   85.060   33.707   1.3728   31.809   1.3776 1.897406 1.944813 
1 1 1   15   17   20 o   15.765   1.8549  247.635   55.286  285.886   82.723  216.759   74.322   16.986   2.5088   14.543   2.7329 2.442861 3.709842 
1 1 1   15   17   21 f   43.438   0.8679  1842.96   73.161  1780.70  102.394  1907.89  104.570   42.687   1.2357   44.189   1.2191 -1.502243 1.735826 
1 1 1   15   17   22 o   32.404   1.0339  1032.16   65.031  1038.06   91.573  1026.16   92.368   32.501   1.4515   32.308   1.4728 0.1926727 2.067840 
1 1 1   15   17   23 o   30.963   1.0464  944.409   62.716  941.998   92.118  946.492   85.626   30.908   1.5353   31.017   1.4222 -0.1081715 2.092787 
1 1 1   15   17   24 o   7.9136   2.3655   19.572   62.686   7.7668   90.821   30.313   86.629   7.7372   3.3333   8.0900   3.3574 -0.3527298 4.731084 
1 1 1   15   17   25 o   11.139   2.6333  135.230   66.981  153.905   97.937  118.819   91.810   11.711   3.7820   10.567   3.6651 1.144717 5.266605 
1 1 1   15   17   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18    0 o   84.783   0.7383  6977.19  121.395  6921.44  167.697  7038.56  175.958   84.428   1.0232   85.138   1.0647 -0.7097931 1.476662 
1 1 1   15   18    1 o   15.252   1.2569  219.143   36.574  173.968   47.490  285.001   57.339   13.379   1.8286   17.125   1.7248 -3.746521 2.513749 
1 1 1   15   18    2 o   26.188   0.7836  669.214   39.234  685.825   51.577  646.402   60.442   26.576   0.9998   25.799   1.2069 0.7776642 1.567210 
1 1 1   15   18    3 o   94.303   0.7930  8632.24  144.964  8561.44  199.478  8711.49  211.031   93.895   1.0944   94.712   1.1478 -0.8167953 1.585968 
1 1 1   15   18    4 o   20.409   1.3506  367.121   48.243  324.135   55.774  494.828   96.133   18.264   1.5732   22.554   2.1958 -4.289858 2.701178 
1 1 1   15   18    5 o   59.446   0.6373  3424.42   73.395  3328.22  100.175  3535.90  107.840   58.547   0.8814   60.345   0.9206 -1.797974 1.274534 
1 1 1   15   18    6 o   35.596   0.6983  1230.89   48.230  1255.51   67.702  1205.52   68.726   35.958   0.9699   35.234   1.0048 0.7236557 1.396595 
1 1 1   15   18    7 o   28.182   0.7795  766.705   42.512  699.699   57.652  846.561   62.938   26.840   1.1065   29.523   1.0982 -2.682867 1.559003 
1 1 1   15   18    8 o  137.604   1.1972 18474.46  312.271 18105.83  495.978 18716.57  401.938  136.436   1.8727  138.772   1.4921 -2.336166 2.394439 
1 1 1   15   18    9 o   90.020   0.8167  7872.85  142.688  7937.67  200.557  7806.40  203.048   90.396   1.1429   89.644   1.1668 0.7521362 1.633352 
1 1 1   15   18   10 o   26.762   1.0471  697.508   54.164  680.845   79.843  711.713   73.722   26.464   1.5543   27.061   1.4034 -0.5973606 2.094106 
1 1 1   15   18   11 o   83.581   0.8042  6789.29  130.432  6927.36  183.338  6647.78  185.602   84.443   1.1185   82.719   1.1559 1.724174 1.608421 
1 1 1   15   18   12 o   37.000   0.7940  1333.82   56.827  1384.57   78.121  1276.79   82.814   37.751   1.0660   36.248   1.1769 1.502865 1.587949 
1 1 1   15   18   13 o   68.908   1.0332  4613.28  138.210  4613.28  138.210   0.0000   0.0000   68.908   1.0332  ?   ?       ?      ? 
1 1 1   15   18   14 o   51.248   0.7419  2560.05   73.571  2702.55  102.103  2406.17  106.102   52.739   0.9973   49.757   1.0985 2.981636 1.483710 
1 1 1   15   18   15 o   89.118   0.8583  7717.67  148.437  7967.88  212.372  7478.69  207.553   90.530   1.2085   87.706   1.2191 2.824379 1.716567 
1 1 1   15   18   16 o   53.616   0.7417  2794.15   77.194  2776.75  108.850  2811.76  109.489   53.448   1.0491   53.784   1.0487 -0.3359833 1.483390 
1 1 1   15   18   17 o   32.398   0.9930  1026.15   62.164  1128.71   87.395  921.106   88.441   34.049   1.3222   30.747   1.4818 3.302412 1.985952 
1 1 1   15   18   18 o   40.085   0.8728  1563.48   67.779  1703.83   97.394  1431.66   94.385   41.832   1.1994   38.338   1.2683 3.493660 1.745577 
1 1 1   15   18   19 o   63.374   0.7806  3911.42   96.020  3930.66  136.657  3892.66  134.945   63.528   1.1082   63.221   1.0996 0.3061409 1.561121 
1 1 1   15   18   20 o   30.032   1.0276  885.043   59.667  806.606   85.285  960.242   83.506   28.712   1.5302   31.352   1.3721 -2.639977 2.055285 
1 1 1   15   18   21 o   26.018   1.1742  669.910   58.599  634.972   88.646  697.028   78.097   25.382   1.7992   26.653   1.5094 -1.271614 2.348485 
1 1 1   15   18   22 o   27.976   1.1583  772.229   62.869  771.272   90.425  773.124   87.468   27.951   1.6666   28.001   1.6092 -0.4947281E-01 2.316689 
1 1 1   15   18   23 o   13.571   2.3181  199.450   60.441  186.561   86.117  211.962   84.850   13.107   3.3670   14.035   3.1871 -0.9285307 4.636155 
1 1 1   15   18   24 o   33.114   1.0189  1084.21   64.961  1077.86   98.117  1089.17   86.681   32.989   1.5322   33.239   1.3434 -0.2496719 2.037743 
1 1 1   15   18   25 o   29.170   1.2554  851.016   70.969  922.242  103.114  786.910   97.825   30.340   1.7508   28.001   1.7998 2.339121 2.510872 
1 1 1   15   19    0 o   36.588   0.6407  1298.42   45.422  1279.01   62.144  1320.68   66.554   36.295   0.8820   36.881   0.9296 -0.5857773 1.281480 
1 1 1   15   19    1 o  108.486   0.8736 11427.25  183.704 11371.28  252.727 11489.94  267.493  108.206   1.2032  108.766   1.2669 -0.5594711 1.747226 
1 1 1   15   19    2 o  112.106   0.8876 12197.54  192.769 12071.84  263.668 12341.88  282.541  111.488   1.2183  112.724   1.2912 -1.235527 1.775273 
1 1 1   15   19    3 o   55.119   0.6096  2937.18   64.963  2817.53   87.383  3085.00   97.132   53.870   0.8356   56.368   0.8877 -2.497803 1.219133 
1 1 1   15   19    4 o   56.592   0.6315  3111.17   69.333  3168.73   97.037  3051.15   99.100   57.127   0.8750   56.056   0.9107 1.070793 1.262973 
1 1 1   15   19    5 o  104.566   0.8874 10610.63  179.922 10422.06  247.729 10821.15  261.744  103.585   1.2320  105.547   1.2775 -1.961723 1.774794 
1 1 1   15   19    6 o   40.721   0.9430  1611.11   74.532  1592.78  105.687  1629.25  105.124   40.490   1.3446   40.952   1.3224 -0.4615669 1.885956 
1 1 1   15   19    7 o   56.839   0.6422  3135.81   70.840  3202.88  101.591  3072.33   98.831   57.431   0.9113   56.248   0.9051 1.182430 1.284406 
1 1 1   15   19    8 o   21.972   0.9954  472.281   42.087  540.402   59.258  402.941   59.786   23.584   1.2944   20.361   1.5126 3.223074 1.990869 
1 1 1   15   19    9 o   66.027   0.7894  4183.79   97.468  4421.65  163.242  4052.01  121.502   67.461   1.2466   64.593   0.9690 2.868446 1.578896 
1 1 1   15   19   10 o   45.822   0.6950  2035.53   61.700  1981.39   84.265  2098.10   90.592   45.167   0.9611   46.477   1.0041 -1.309826 1.389934 
1 1 1   15   19   11 o   48.935   0.7025  2323.93   66.557  2298.25   90.662  2353.93   98.020   48.644   0.9601   49.227   1.0258 -0.5832596 1.405009 
1 1 1   15   19   12 o   59.149   0.8432  3340.82   90.279  3241.03  108.680  3562.96  162.156   57.762   0.9693   60.536   1.3799 -2.774570 1.686305 
1 1 1   15   19   13 o   92.122   0.8761  8248.94  156.614  8262.85  218.868  8234.34  224.199   92.203   1.2228   92.041   1.2548 0.1626129 1.752136 
1 1 1   15   19   14 o   82.138   0.8185  6559.05  130.482  6617.57  183.287  6498.91  185.798   82.511   1.1443   81.765   1.1706 0.7459183 1.637020 
1 1 1   15   19   15 o   96.669   0.9046  9086.13  169.720  8996.75  237.727  9179.04  242.382   96.185   1.2732   97.153   1.2852 -0.9677200 1.809123 
1 1 1   15   19   16 o   40.920   0.8399  1632.39   66.456  1679.89   90.872  1577.77   97.438   41.566   1.1262   40.275   1.2463 1.291080 1.679797 
1 1 1   15   19   17 o   76.903   0.8115  5754.77  121.138  5813.63  171.115  5695.63  171.516   77.299   1.1404   76.508   1.1549 0.7909241 1.623021 
1 1 1   15   19   18 o   61.145   0.7675  3638.11   91.077  3735.02  129.607  3543.56  128.012   61.950   1.0778   60.339   1.0929 1.611012 1.534941 
1 1 1   15   19   19 o   14.964   2.0806  230.288   59.427  113.189   81.366  364.169   87.001   10.712   3.4460   19.215   2.3325 -8.502858 4.161166 
1 1 1   15   19   20 o   31.036   1.0482  942.057   63.127  980.557   90.166  905.042   88.409   31.661   1.4671   30.412   1.4976 1.248514 2.096436 
1 1 1   15   19   21 o   11.446   2.1581  135.403   55.746   34.114   81.245  225.514   76.632   8.1497   3.3017   14.742   2.7798 -6.592113 4.316114 
1 1 1   15   19   22 o   17.673   1.8338  328.784   59.136  246.658   86.363  401.281   81.142   15.282   3.0183   20.063   2.0834 -4.780978 3.667509 
1 1 1   15   19   23 o   18.861   1.6647  358.368   60.861  335.877   83.568  383.771   88.811   18.231   2.3614   19.492   2.3472 -1.261133 3.329498 
1 1 1   15   19   24 f   15.064   2.0865  251.083   59.170  147.786   84.717  349.464   82.677   11.586   3.4840   18.541   2.2971 -6.955938 4.173081 
1 1 1   15   19   25 o   18.935   2.1109  399.753   71.720  322.720  112.666  452.236   92.996   16.875   3.5519   20.995   2.2819 -4.120108 4.221707 
1 1 1   15   20    0 o  141.754   1.0302 19534.56  282.837 19733.00  388.275 19310.23  412.838  142.526   1.4034  140.982   1.5085 1.544312 2.060377 
1 1 1   15   20    1 o  125.460   0.9630 15285.01  234.030 15215.79  320.410 15364.16  342.645  125.159   1.3188  125.762   1.4036 -0.6023102 1.925930 
1 1 1   15   20    2 o   40.575   0.6399  1603.64   50.110  1652.18   67.937  1545.72   74.209   41.251   0.8484   39.898   0.9582 1.353039 1.279785 
1 1 1   15   20    3 o   58.141   0.6303  3281.41   71.103  3258.31   98.794  3306.22  102.413   57.929   0.8786   58.353   0.9041 -0.4237099 1.260676 
1 1 1   15   20    4 o   66.776   0.6552  4324.45   84.758  4251.03  115.804  4409.15  124.388   66.167   0.9016   67.385   0.9509 -1.217857 1.310406 
1 1 1   15   20    5 o  169.658   1.1395 27967.23  375.229 28619.42  535.216 27336.82  526.206  171.604   1.6067  167.713   1.6163 3.890686 2.279026 
1 1 1   15   20    6 o   98.418   0.8303  9408.82  158.623  9393.92  224.500  9423.68  224.155   98.340   1.1760   98.496   1.1724 -0.1559296 1.660576 
1 1 1   15   20    7 o   51.047   0.6389  2529.98   63.286  2516.51   88.079  2544.35   90.991   50.907   0.8913   51.187   0.9157 -0.2801476 1.277899 
1 1 1   15   20    8 o  116.607   1.0958 13184.73  239.150 13339.75  395.668 13095.50  300.189  117.123   1.7403  116.091   1.3321 1.031380 2.191589 
1 1 1   15   20    9 o  128.528   1.0162 16055.07  253.539 16213.37  359.879 15899.08  357.251  129.157   1.4354  127.899   1.4389 1.258354 2.032465 
1 1 1   15   20   10 o   60.945   0.6871  3611.53   81.088  3669.24  111.359  3546.39  118.309   61.466   0.9333   60.425   1.0086 1.040947 1.374198 
1 1 1   15   20   11 o  115.669   1.1832 13042.82  253.183 13107.64  314.103 12922.59  427.784  116.120   1.3935  115.218   1.9127 0.9015961 2.366438 
1 1 1   15   20   12 o   82.662   0.7811  6639.93  125.328  6721.56  177.217  6558.25  177.264   83.171   1.0977   82.153   1.1116 1.017761 1.562180 
1 1 1   15   20   13 o  130.790   1.1635 16643.67  295.352 16456.31  413.299 16839.21  422.226  130.040   1.6373  131.541   1.6536 -1.500687 2.327002 
1 1 1   15   20   14 o   54.428   0.7263  2878.42   76.729  2894.33  109.322  2862.97  107.719   54.576   1.0319   54.280   1.0223 0.2959061 1.452585 
1 1 1   15   20   15 f   23.772   1.2151  550.505   56.069  558.803   79.369  542.238   79.217   23.951   1.7071   23.592   1.7297 0.3588047 2.430264 
1 1 1   15   20   16 o   59.405   0.7585  3426.00   87.386  3313.24  120.532  3550.94  126.878   58.377   1.0636   60.433   1.0816 -2.056042 1.516939 
1 1 1   15   20   17 o   44.799   0.8260  1953.12   71.830  1932.98  101.013  1973.73  102.163   44.565   1.1677   45.033   1.1687 -0.4671478 1.652046 
1 1 1   15   20   18 o   35.138   0.9533  1203.78   65.012  1203.49   92.953  1204.06   90.960   35.133   1.3630   35.144   1.3333 -0.1171112E-01 1.906677 
1 1 1   15   20   19 o   27.281   1.1560  725.547   60.609  593.591   82.939  876.776   88.789   24.615   1.7358   29.947   1.5274 -5.332199 2.312088 
1 1 1   15   20   20 o   15.806   2.0122  260.598   58.853  348.493   83.401  173.418   83.060   18.757   2.2905   12.855   3.3090 5.902358 4.024456 
1 1 1   15   20   21 o   12.463   2.3832  164.046   59.445  195.094   86.260  135.966   82.035   13.535   3.3105   11.391   3.4290 2.144195 4.766318 
1 1 1   15   20   22 o   21.203   1.3887  440.701   56.729  499.888   86.940  396.819   74.861   22.417   1.9980   19.989   1.9293 2.427782 2.777440 
1 1 1   15   20   23 o   8.5366   2.4318   45.777   61.925   44.864   89.108   46.629   86.119   8.5604   3.4614   8.5128   3.4166 0.4757214E-01 4.863617 
1 1 1   15   20   24 o   24.664   1.3867  613.894   66.090  570.360   95.595  653.756   91.473   23.774   2.0714   25.554   1.8440 -1.780325 2.773337 
1 1 1   15   20   25 o   20.264   2.4127  452.709   92.031  379.617  125.373  538.112  135.520   18.200   3.6752   22.327   3.1268 -4.126831 4.825366 
1 1 1   15   21    0 f   59.483   0.6242  3430.74   71.981  3347.82   98.941  3523.97  104.915   58.720   0.8680   60.245   0.8971 -1.524334 1.248309 
1 1 1   15   21    1 o  103.237   0.8447 10352.89  169.128 10387.30  234.410 10315.53  244.261  103.418   1.1677  103.057   1.2210 0.3609772 1.689451 
1 1 1   15   21    2 o  100.675   0.8417  9834.83  164.240  9682.48  225.462 10007.07  239.737   99.847   1.1633  101.503   1.2167 -1.656685 1.683318 
1 1 1   15   21    3 o   62.487   0.6431  3786.61   77.905  3704.73  107.044  3878.82  113.596   61.770   0.8927   63.203   0.9259 -1.433681 1.286166 
1 1 1   15   21    4 o   75.418   0.7199  5524.05  105.361  5548.19  147.348  5498.79  150.715   75.587   1.0042   75.249   1.0318 0.3382874 1.439808 
1 1 1   15   21    5 o  101.298   0.8680  9967.20  170.653 10002.76  243.577  9932.91  239.162  101.474   1.2366  101.121   1.2184 0.3536987 1.735960 
1 1 1   15   21    6 f   28.590   0.8860  790.984   48.835  819.687   74.054  768.898   64.961   29.046   1.3134   28.134   1.1895 0.9115887 1.771986 
1 1 1   15   21    7 o   99.496   0.9814  9541.28  182.362  9903.90  305.098  9339.72  227.466  100.939   1.5571   98.052   1.1951 2.886986 1.962839 
1 1 1   15   21    8 o   86.448   0.7800  7255.94  130.862  7127.51  182.420  7392.11  187.832   85.661   1.0970   87.236   1.1092 -1.574791 1.560078 
1 1 1   15   21    9 o   62.025   0.6743  3733.96   81.160  3651.12  112.921  3822.48  116.729   61.314   0.9488   62.736   0.9585 -1.421959 1.348653 
1 1 1   15   21   10 o   73.904   0.8903  5223.65  118.877  5084.57  142.963  5535.28  214.003   72.350   1.0179   75.458   1.4610 -3.107399 1.780652 
1 1 1   15   21   11 o   64.900   0.7143  4089.54   89.901  4044.65  124.113  4139.09  130.397   64.527   0.9909   65.274   1.0291 -0.7468567 1.428593 
1 1 1   15   21   12 f   59.969   0.7173  3487.74   83.429  3658.34  120.989  3333.08  115.197   61.365   1.0157   58.573   1.0132 2.791298 1.434615 
1 1 1   15   21   13 o   77.325   0.7981  5812.21  119.765  5949.79  169.303  5674.40  169.445   78.242   1.1147   76.407   1.1424 1.834785 1.596152 
1 1 1   15   21   14 o   42.944   0.7633  1791.67   63.618  1738.74   89.142  1846.62   90.822   42.297   1.0857   43.590   1.0733 -1.293083 1.526681 
1 1 1   15   21   15 f   58.809   0.7486  3362.46   85.437  3409.66  120.040  3314.00  121.629   59.229   1.0441   58.390   1.0731 0.8390732 1.497193 
1 1 1   15   21   16 o   13.602   2.1531  192.275   58.028  268.413   80.030  107.872   84.261   16.546   2.4917   10.658   3.5121 5.887479 4.306229 
1 1 1   15   21   17 o   30.597   1.0529  912.622   62.528  895.279   87.430  930.779   89.460   30.300   1.4864   30.895   1.4917 -0.5944004 2.105873 
1 1 1   15   21   18 o   37.232   0.9034  1351.05   65.291  1334.43   91.664  1368.16   93.021   37.000   1.2762   37.464   1.2791 -0.4643478 1.806881 
1 1 1   15   21   19 o   21.276   1.4306  445.371   59.045  451.004   82.315  439.401   84.742   21.421   1.9796   21.131   2.0659 0.2891407 2.861248 
1 1 1   15   21   20 o   12.608   2.3303  166.819   58.753  211.030   83.546  123.562   82.639   14.199   3.1166   11.016   3.4652 3.182641 4.660539 
1 1 1   15   21   21 o   42.205   0.8645  1743.42   70.824  1744.89  100.746  1741.98   99.584   42.221   1.2292   42.189   1.2160 0.3138733E-01 1.729049 
1 1 1   15   21   22 o   44.134   0.8442  1903.27   72.072  1959.55  107.075  1856.64   97.454   44.715   1.2336   43.552   1.1527 1.163364 1.688351 
1 1 1   15   21   23 o   30.101   1.0674  894.427   62.017  906.253   93.020  884.964   83.208   30.252   1.5840   29.949   1.4312 0.3028545 2.134842 
1 1 1   15   21   24 o   19.507   1.7074  390.407   64.391  433.145   91.730  348.890   90.410   20.612   2.2926   18.403   2.5309 2.209333 3.414868 
1 1 1   15   21   25 o   31.350   1.6385  1013.33   99.506  927.871  137.934  1106.06  143.686   29.927   2.3743   32.773   2.2586 -2.846107 3.276986 
1 1 1   15   22    0 o   74.412   0.6920  5376.76   99.899  5375.38  139.028  5378.23  143.643   74.403   0.9626   74.422   0.9943 -0.1866913E-01 1.383926 
1 1 1   15   22    1 o   43.557   0.6913  1851.65   57.932  1764.22   86.767  1921.96   77.817   42.623   1.0487   44.491   0.9010 -1.867752 1.382614 
1 1 1   15   22    2 o   33.734   0.6777  1109.98   44.169  1176.26   60.808  1035.95   64.264   34.806   0.9000   32.662   1.0136 2.143559 1.355498 
1 1 1   15   22    3 o   18.908   1.0647  342.660   38.719  314.539   50.733  381.887   59.921   17.993   1.4526   19.824   1.5571 -1.831327 2.129456 
1 1 1   15   22    4 o   70.025   0.6702  4761.68   91.066  4764.37  126.903  4758.83  130.757   70.046   0.9333   70.004   0.9622 0.4171753E-01 1.340497 
1 1 1   15   22    5 o   70.605   0.7025  4841.79   96.274  4891.46  135.761  4791.54  136.547   70.970   0.9855   70.241   1.0014 0.7293015 1.404994 
1 1 1   15   22    6 o  115.546   0.9701 12973.21  217.580 12996.62  307.162 12949.62  308.251  115.651   1.3682  115.441   1.3756 0.2100143 1.940147 
1 1 1   15   22    7 o   25.046   0.9669  616.579   46.430  671.305   62.846  550.812   68.894   26.287   1.2316   23.806   1.4909 2.480991 1.933807 
1 1 1   15   22    8 o   87.047   0.8247  7359.11  139.313  7289.20  194.206  7433.23  199.955   86.622   1.1550   87.472   1.1776 -0.8500366 1.649454 
1 1 1   15   22    9 o   95.879   0.9946  8938.30  176.885  8945.89  219.908  8924.38  297.716   95.957   1.1806   95.801   1.6009 0.1557922 1.989144 
1 1 1   15   22   10 o   46.433   0.6867  2094.23   61.886  2149.83   87.766  2039.24   87.276   47.047   0.9610   45.820   0.9812 1.226704 1.373470 
1 1 1   15   22   11 o   94.333   0.8884  8642.51  162.616  8985.01  233.586  8320.41  226.525   96.146   1.2516   92.521   1.2613 3.625175 1.776860 
1 1 1   15   22   12 o   41.666   0.7618  1687.73   61.533  1705.95   85.104  1667.76   89.073   41.903   1.0463   41.429   1.1076 0.4743004 1.523622 
1 1 1   15   22   13 o   86.392   0.8430  7256.58  141.349  7382.74  199.674  7129.85  200.122   87.146   1.1803   85.638   1.2038 1.508316 1.685940 
1 1 1   15   22   14 o   41.089   0.8005  1641.54   63.833  1618.01   90.952  1664.38   89.611   40.798   1.1484   41.380   1.1156 -0.5823174 1.601084 
1 1 1   15   22   15 f   48.645   0.7854  2299.52   74.138  2264.81  103.097  2336.69  106.688   48.266   1.1004   49.024   1.1211 -0.7584076 1.570881 
1 1 1   15   22   16 o   51.995   0.7684  2632.09   77.469  2745.16  108.908  2516.28  110.220   53.129   1.0560   50.860   1.1164 2.269035 1.536711 
1 1 1   15   22   17 o   26.531   1.1599  691.880   59.192  793.979   83.382  588.160   84.042   28.529   1.5056   24.532   1.7648 3.997671 2.319802 
1 1 1   15   22   18 o   8.3312   2.3340   39.343   56.327   25.693   82.235   51.406   77.310   8.0693   3.3018   8.5932   3.2997 -0.5238247 4.667983 
1 1 1   15   22   19 o   26.562   1.1493  690.944   59.236  690.762   85.011  691.115   82.585   26.555   1.6492   26.569   1.6013 -0.1378632E-01 2.298672 
1 1 1   15   22   20 o   33.860   0.9872  1122.55   64.866  1132.00   93.158  1113.65   90.373   33.995   1.4117   33.725   1.3805 0.2700233 1.974484 
1 1 1   15   22   21 o   13.456   2.2966  196.349   59.807  157.008   87.822  230.372   81.672   12.115   3.5231   14.796   2.9470 -2.681448 4.593155 
1 1 1   15   22   22 o   20.564   1.5501  422.299   61.699  469.737   89.916  380.087   84.819   21.667   2.1378   19.460   2.2453 2.207039 3.100245 
1 1 1   15   22   23 o   18.366   1.7227  344.770   60.723  335.637   92.220  351.761   80.681   18.079   2.6277   18.652   2.2283 -0.5733089 3.445335 
1 1 1   15   22   24 o   10.103   2.4392   98.928   62.127   32.543   88.378  163.779   87.352   8.1291   3.3838   12.077   3.5141 -3.948017 4.878399 
1 1 1   15   22   25 o   23.948   2.1132  618.526   96.920  737.368  138.918  505.819  135.285   26.405   2.7103   21.491   3.2428 4.913578 4.226310 
1 1 1   15   23    0 o   47.849   0.5951  2223.72   55.217  2347.15   78.377  2102.09   77.802   49.168   0.8212   46.530   0.8614 2.638149 1.190103 
1 1 1   15   23    1 o  130.205   0.9990 16474.84  251.845 16527.92  344.234 16413.71  369.423  130.435   1.3595  129.975   1.4642 0.4608002 1.998061 
1 1 1   15   23    2 o   41.383   0.6107  1665.30   48.773  1686.69   65.745  1639.11   72.735   41.680   0.8126   41.086   0.9120 0.5937920 1.221471 
1 1 1   15   23    3 o   63.270   0.6473  3883.32   79.419  3810.23  109.404  3964.75  115.472   62.642   0.8997   63.898   0.9309 -1.256622 1.294660 
1 1 1   15   23    4 o  106.831   0.8715 11085.02  180.700 10852.04  253.767 11324.65  257.367  105.692   1.2369  107.969   1.2280 -2.277634 1.742923 
1 1 1   15   23    5 o   28.550   0.7879  791.778   43.460  792.281   58.677  791.166   64.684   28.561   1.0584   28.539   1.1676 0.2222061E-01 1.575882 
1 1 1   15   23    6 o   26.840   0.8755  702.874   45.324  731.252   61.494  669.124   67.063   27.437   1.1546   26.242   1.3165 1.194683 1.751061 
1 1 1   15   23    7 o   94.709   0.8515  8715.84  156.509  8807.78  219.823  8621.31  222.884   95.217   1.1893   94.202   1.2189 1.015495 1.702959 
1 1 1   15   23    8 o   47.903   0.7899  2222.90   70.311  2207.68   87.434  2250.76  118.287   47.678   0.9447   48.129   1.2661 -0.4510307 1.579712 
1 1 1   15   23    9 o   98.999   0.8663  9523.58  166.482  9606.02  235.348  9441.02  235.536   99.429   1.2194   98.570   1.2310 0.8586807 1.732665 
1 1 1   15   23   10 o   81.275   0.7911  6417.96  124.795  6409.62  175.319  6426.52  177.679   81.222   1.1120   81.328   1.1255 -0.1059875 1.582123 
1 1 1   15   23   11 o   58.032   0.7110  3270.59   79.974  3250.39  109.931  3293.31  116.561   57.844   0.9790   58.221   1.0313 -0.3778038 1.422038 
1 1 1   15   23   12 o   81.320   0.7903  6426.40  124.740  6415.56  175.264  6437.52  177.578   81.251   1.1112   81.389   1.1240 -0.1377106 1.580551 
1 1 1   15   23   13 o   62.066   0.7421  3743.24   89.403  3719.67  125.778  3767.31  127.102   61.868   1.0473   62.263   1.0516 -0.3946381 1.484159 
1 1 1   15   23   14 o   53.275   0.7568  2759.08   78.235  2840.79  110.724  2677.61  110.560   54.063   1.0550   52.486   1.0852 1.577709 1.513500 
1 1 1   15   23   15 o   95.333   0.9136  8842.54  169.058  8825.16  237.760  8860.32  240.430   95.240   1.2860   95.427   1.2979 -0.1873550 1.827166 
1 1 1   15   23   16 o   85.945   0.8547  7189.92  142.596  7207.19  201.372  7172.56  201.951   86.049   1.2056   85.841   1.2120 0.2082443 1.709441 
1 1 1   15   23   17 o   13.976   2.0759  197.299   54.371  238.380   82.120  165.236   72.549   15.286   2.8729   12.667   2.9973 2.619903 4.151820 
1 1 1   15   23   18 o   9.9169   2.3410   83.319   55.270  143.290   83.521   36.595   73.721   11.812   3.4359   8.0220   3.1804 3.789926 4.681954 
1 1 1   15   23   19 o   38.069   0.8595  1419.49   63.212  1349.21   92.657  1480.67   86.455   37.173   1.2841   38.966   1.1430 -1.792866 1.719078 
1 1 1   15   23   20 o   40.498   0.8462  1600.40   66.243  1632.38   98.714  1574.19   89.348   40.854   1.2447   40.142   1.1466 0.7115250 1.692369 
1 1 1   15   23   21 o   21.893   1.4282  474.046   60.486  514.031   90.218  441.398   81.522   22.719   2.0457   21.067   1.9935 1.652779 2.856337 
1 1 1   15   23   22 f   25.753   1.2833  665.178   63.500  584.109   92.361  737.845   87.445   24.199   1.9662   27.307   1.6496 -3.107845 2.566547 
1 1 1   15   23   23 o   28.843   1.1918  821.282   66.212  977.306   97.902  689.765   89.885   31.380   1.6072   26.305   1.7603 5.075256 2.383635 
1 1 1   15   23   24 o   30.665   1.1307  936.212   66.145  941.612  103.610  932.497   85.936   30.665   1.7405   30.664   1.4437 0.1634598E-02 2.261382 
1 1 1   15   24    0 o   74.319   0.6954  5362.75  100.189  5348.96  138.113  5378.07  145.557   74.220   0.9586   74.419   1.0076 -0.1999283 1.390755 
1 1 1   15   24    1 o   74.308   0.6932  5360.92   99.952  5328.20  139.130  5395.82  143.687   74.075   0.9676   74.542   0.9930 -0.4675903 1.386459 
1 1 1   15   24    2 o   71.033   0.6822  4900.17   94.046  4919.44  131.872  4880.23  134.159   71.176   0.9545   70.891   0.9749 0.2849579 1.364345 
1 1 1   15   24    3 o   61.464   0.6333  3665.34   75.499  3597.87  104.300  3739.61  109.428   60.870   0.8827   62.057   0.9084 -1.186562 1.266624 
1 1 1   15   24    4 o   19.389   1.0765  366.811   40.334  385.364   55.418  345.913   58.815   19.913   1.4336   18.864   1.6062 1.049810 2.152944 
1 1 1   15   24    5 o  102.387   0.8636 10184.46  171.634 10280.89  242.686 10087.97  242.768  102.872   1.2153  101.902   1.2273 0.9706802 1.727179 
1 1 1   15   24    6 f  124.901   0.9983 15161.00  242.038 15338.03  342.524 14984.45  342.063  125.630   1.4045  124.172   1.4191 1.458092 1.996653 
1 1 1   15   24    7 o   46.106   0.6830  2070.64   60.813  2132.48   82.655  1997.66   89.792   46.860   0.9087   45.351   1.0200 1.508846 1.366007 
1 1 1   15   24    8 o   83.627   0.7750  6793.80  125.784  6797.85  176.280  6789.60  179.535   83.653   1.0856   83.601   1.1063 0.5213928E-01 1.549949 
1 1 1   15   24    9 o  108.575   0.9481 11458.10  199.814 11511.54  282.040 11404.24  283.122  108.829   1.3351  108.320   1.3465 0.5096664 1.896152 
1 1 1   15   24   10 o   92.840   0.8313  8375.14  149.803  8295.21  210.279  8457.52  213.463   92.390   1.1725   93.289   1.1788 -0.8988876 1.662584 
1 1 1   15   24   11 o   97.119   0.8846  9166.91  166.747  9108.03  233.815  9227.85  237.870   96.802   1.2443   97.435   1.2576 -0.6331635 1.769160 
1 1 1   15   24   12 o   65.501   0.7545  4172.34   95.873  4307.97  134.761  4033.33  136.425   66.582   1.0427   64.421   1.0909 2.160980 1.509071 
1 1 1   15   24   13 o   19.487   1.4029  372.205   52.730  348.068   77.488  393.023   71.962   18.889   2.1133   20.084   1.8458 -1.194801 2.805845 
1 1 1   15   24   14 o   68.266   0.7681  4530.02  101.738  4715.67  144.637  4348.20  143.134   69.652   1.0697   66.880   1.1025 2.771942 1.536194 
1 1 1   15   24   15 f   34.976   0.9290  1184.36   62.891  1107.83   85.113  1276.39   93.337   33.739   1.2996   36.212   1.3278 -2.473587 1.857946 
1 1 1   15   24   16 o   54.644   0.7524  2905.53   79.756  2891.79  114.803  2918.33  110.884   54.517   1.0848   54.772   1.0429 -0.2546997 1.504822 
1 1 1   15   24   17 o   49.055   0.7636  2342.42   72.713  2353.98  103.340  2331.09  102.330   49.174   1.0826   48.935   1.0772 0.2389297 1.527248 
1 1 1   15   24   18 o   28.571   1.0728  801.199   59.105  766.982   87.702  829.671   80.002   27.996   1.6138   29.146   1.4140 -1.149200 2.145640 
1 1 1   15   24   19 o   49.705   0.7685  2402.72   73.988  2501.69  109.059  2318.32  100.709   50.646   1.1093   48.764   1.0639 1.881954 1.537021 
1 1 1   15   24   20 o   33.490   0.9619  1107.93   61.941  1019.04   91.786  1182.25   83.935   32.220   1.4675   34.759   1.2440 -2.539406 1.923811 
1 1 1   15   24   21 o   13.638   2.1745  201.608   55.427  176.551   87.954  218.113   71.384   12.794   3.4588   14.482   2.6365 -1.687876 4.349049 
1 1 1   15   24   22 o   8.4494   2.4081   40.087   60.448   68.082   93.180   19.744   79.430   9.2846   3.6068   7.6142   3.1917 1.670426 4.816277 
1 1 1   15   24   23 o   16.230   2.1460  283.519   65.600  252.258   96.232  310.657   89.661   15.119   3.3655   17.342   2.6634 -2.223470 4.291907 
1 1 1   15   24   24 o   27.731   1.2818  767.227   67.958  808.919  106.817  738.876   88.084   28.285   1.9454   27.177   1.6697 1.108601 2.563698 
1 1 1   15   25    0 o   95.650   0.8189  8886.40  151.963  8887.45  211.306  8885.28  218.701   95.657   1.1380   95.643   1.1780 0.1407623E-01 1.637848 
1 1 1   15   25    1 o   72.649   0.6875  5125.06   96.954  5090.53  136.306  5160.43  137.935   72.401   0.9698   72.897   0.9748 -0.4951553 1.375058 
1 1 1   15   25    2 o   48.588   0.6139  2294.54   57.847  2376.02   81.118  2210.23   82.515   49.467   0.8448   47.709   0.8910 1.758160 1.227798 
1 1 1   15   25    3 o   59.423   0.6351  3426.77   73.226  3354.49  101.812  3504.22  105.396   58.775   0.8924   60.072   0.9038 -1.297020 1.270127 
1 1 1   15   25    4 o   83.198   0.7669  6723.66  123.841  6850.43  175.264  6597.26  175.010   83.982   1.0751   82.415   1.0939 1.567513 1.533790 
1 1 1   15   25    5 o   57.551   0.6601  3216.10   73.636  3209.94  101.384  3222.99  107.129   57.493   0.9084   57.608   0.9580 -0.1150131 1.320209 
1 1 1   15   25    6 o   18.206   1.2679  334.237   43.178  404.367   58.397  249.662   64.130   20.397   1.4749   16.016   2.0628 4.380884 2.535825 
1 1 1   15   25    7 o   48.569   0.6700  2291.70   63.082  2305.07   87.105  2276.95   91.478   48.719   0.9210   48.419   0.9733 0.2997627 1.340006 
1 1 1   15   25    8 o   48.546   0.6867  2286.18   64.510  2254.86   87.528  2323.42   95.449   48.184   0.9358   48.908   1.0054 -0.7245293 1.373493 
1 1 1   15   25    9 o  104.098   0.9260 10532.80  187.106 10591.06  264.467 10474.41  264.750  104.386   1.3052  103.809   1.3138 0.5774536 1.851908 
1 1 1   15   25   10 o   91.972   0.8347  8221.57  149.000  8353.67  210.516  8088.95  210.919   92.714   1.1697   91.231   1.1910 1.483009 1.669337 
1 1 1   15   25   11 o   20.869   1.2276  426.691   49.373  477.562   69.075  373.550   70.599   22.154   1.6062   19.585   1.8570 2.568823 2.455272 
1 1 1   15   25   12 o   54.700   0.7423  2906.23   78.750  2875.29  108.841  2940.21  114.084   54.396   1.0308   55.004   1.0685 -0.6081886 1.484633 
1 1 1   15   25   13 f   13.961   2.0217  210.425   54.712   88.306   80.443  315.537   74.632   9.9408   3.4317   17.981   2.1381 -8.040478 4.043313 
1 1 1   15   25   14 o   19.929   1.5158  388.991   58.122  455.594   83.250  325.654   81.183   21.607   1.9848   18.251   2.2914 3.355682 3.031501 
1 1 1   15   25   15 o   74.288   0.7970  5366.54  114.908  5492.51  164.419  5246.26  160.656   75.140   1.1272   73.437   1.1270 1.703644 1.593976 
1 1 1   15   25   16 o   83.405   0.8358  6772.85  135.315  6732.70  191.634  6812.77  191.095   83.158   1.1871   83.653   1.1768 -0.4952545 1.671579 
1 1 1   15   25   17 o   35.301   0.9095  1214.00   62.268  1236.99   90.322  1193.19   85.959   35.616   1.3064   34.985   1.2657 0.6312790 1.819019 
1 1 1   15   25   18 o   48.725   0.7917  2313.32   74.862  2290.87  104.507  2336.99  107.290   48.484   1.1104   48.966   1.1287 -0.4822655 1.583374 
1 1 1   15   25   19 o   15.410   1.9722  248.981   56.128  155.316   78.853  345.177   79.911   12.158   3.2699   18.661   2.2060 -6.502980 3.944482 
1 1 1   15   25   20 o   25.304   1.2432  637.672   60.519  571.993   88.436  695.521   82.998   24.032   1.8957   26.575   1.6089 -2.542616 2.486398 
1 1 1   15   25   21 o   17.577   1.6920  309.859   57.042  317.274   88.085  304.504   74.859   17.713   2.5618   17.442   2.2109 0.2703552 3.383971 
1 1 1   15   25   22 o   41.530   0.8582  1678.64   68.222  1781.58  106.984  1608.09   88.566   42.560   1.2949   40.500   1.1265 2.060284 1.716392 
1 1 1   15   25   23 o   32.308   1.1159  1038.72   69.630  1016.50  103.102  1057.35   94.415   31.949   1.6625   32.667   1.4889 -0.7177715 2.231735 
1 1 1   15   25   24 o   20.106   2.1834  435.072   76.922  451.995  136.602  427.214   93.083   19.881   3.6750   20.331   2.3586 -0.4497833 4.366775 
1 1 1   15   26    0 o   74.478   0.7025  5387.24  101.557  5456.13  143.545  5318.20  143.702   74.955   0.9866   74.001   1.0004 0.9541092 1.405009 
1 1 1   15   26    1 o   63.774   0.6450  3950.39   79.796  3973.73  110.940  3925.37  114.858   63.970   0.8934   63.578   0.9307 0.3917236 1.290074 
1 1 1   15   26    2 o  107.984   0.8850 11328.39  185.518 11319.46  261.905 11337.39  262.820  107.941   1.2499  108.027   1.2533 -0.8515930E-01 1.770076 
1 1 1   15   26    3 o   78.925   0.7273  6050.10  111.418  6162.83  157.835  5938.12  157.304   79.659   1.0207   78.192   1.0364 1.466507 1.454616 
1 1 1   15   26    4 o   77.751   0.7206  5865.40  108.672  5734.33  150.093  6009.81  157.548   76.839   1.0063   78.662   1.0318 -1.822739 1.441216 
1 1 1   15   26    5 o  120.975   1.0174 14224.37  238.921 14331.92  337.329 14116.10  338.446  121.434   1.4310  120.515   1.4467 0.9195862 2.034899 
1 1 1   15   26    6 o   26.262   0.9006  678.487   45.335  768.953   62.517  578.149   65.839   28.134   1.1447   24.390   1.3906 3.744276 1.801169 
1 1 1   15   26    7 o   93.334   0.8384  8456.06  151.809  8246.77  210.307  8683.76  219.361   92.130   1.1759   94.538   1.1953 -2.407845 1.676796 
1 1 1   15   26    8 o  115.109   0.9483 12876.82  211.889 13047.30  301.944 12711.40  297.420  115.860   1.3425  114.359   1.3398 1.500793 1.896698 
1 1 1   15   26    9 o   53.731   0.7033  2808.02   73.260  2937.74  102.876  2674.55  104.350   54.993   0.9637   52.469   1.0245 2.524052 1.406554 
1 1 1   15   26   10 o   57.220   0.7140  3184.47   79.210  3312.00  111.024  3052.26  113.043   58.390   0.9795   56.050   1.0390 2.339394 1.427910 
1 1 1   15   26   11 o   32.380   0.9070  1023.41   56.746  919.984   80.820  1123.99   79.694   30.756   1.3537   34.003   1.2074 -3.246452 1.813900 
1 1 1   15   26   12 o   90.845   0.8608  8022.59  151.795  7960.34  213.023  8086.80  216.356   90.488   1.2127   91.203   1.2221 -0.7147293 1.721690 
1 1 1   15   26   13 o   79.268   0.8150  6105.71  125.366  6223.85  180.264  5995.04  174.466   80.010   1.1606   78.527   1.1445 1.482712 1.630047 
1 1 1   15   26   14 o   44.622   0.8196  1935.76   70.971  1872.71   99.393  2001.35  101.374   43.881   1.1669   45.364   1.1512 -1.483303 1.639153 
1 1 1   15   26   15 o   28.940   1.0022  812.298   56.164  876.398   82.928  757.984   76.336   29.989   1.4245   27.891   1.4100 2.098326 2.004314 
1 1 1   15   26   16 o   8.4047   2.3188   44.202   54.547   47.327   79.854   41.468   74.686   8.5840   3.3378   8.2255   3.2198 0.3585253 4.637633 
1 1 1   15   26   17 o   27.062   1.1459  716.596   60.167  692.252   85.206  740.807   84.972   26.599   1.6502   27.524   1.5904 -0.9248962 2.291806 
1 1 1   15   26   18 o   67.651   0.7882  4460.13  103.489  4532.95  148.136  4390.72  144.637   68.189   1.1191   67.113   1.1102 1.075981 1.576403 
1 1 1   15   26   19 o   17.287   1.7663  298.418   59.241  308.388   85.457  289.193   82.196   17.563   2.5067   17.011   2.4892 0.5519180 3.532635 
1 1 1   15   26   20 o   21.971   1.4373  479.234   61.152  527.698   88.568  435.083   84.535   23.044   1.9800   20.898   2.0839 2.145893 2.874519 
1 1 1   15   26   21 o   23.206   1.3527  537.289   60.517  520.349   90.171  551.172   81.633   22.835   2.0342   23.576   1.7837 -0.7412815 2.705473 
1 1 1   15   26   22 o   11.815   2.3611  152.727   56.147  150.359   86.812  154.431   73.617   11.715   3.5276   11.914   3.1391 -0.1987972 4.722109 
1 1 1   15   26   23 o   26.930   1.2739  737.344   64.772  673.030  101.519  781.499   84.117   25.814   2.0259   28.047   1.5450 -2.232298 2.547840 
1 1 1   15   26   24 o   31.100   1.4718  992.272   81.441  975.634  146.925  999.651   97.849   30.590   2.4743   31.609   1.5947 -1.019077 2.943643 
1 1 1   15   27    0 o   88.604   0.7913  7623.05  135.949  7575.45  187.508  7675.81  197.393   88.314   1.0938   88.894   1.1439 -0.5800018 1.582682 
1 1 1   15   27    1 o   7.8710   1.9496   52.497   36.848   43.517   50.477   62.741   53.914   7.4200   2.7024   8.3220   2.8108 -0.9020052 3.899182 
1 1 1   15   27    2 o   86.676   0.9037  7306.68  145.846  7326.04  182.241  7272.20  243.237   86.848   1.0810   86.503   1.4485 0.3447113 1.807434 
1 1 1   15   27    3 o  105.692   0.8894 10852.71  182.456 10814.31  256.140 10892.26  259.967  105.503   1.2507  105.882   1.2648 -0.3783722 1.778762 
1 1 1   15   27    4 o   57.713   0.6423  3236.30   71.870  3270.99   99.508  3198.47  103.916   58.038   0.8832   57.389   0.9328 0.6487083 1.284614 
1 1 1   15   27    5 o   44.339   0.6580  1907.92   56.563  1884.68   77.813  1933.95   82.364   44.053   0.9099   44.624   0.9508 -0.5710640 1.316082 
1 1 1   15   27    6 o   74.293   0.7174  5362.57  103.423  5495.74  145.889  5228.04  146.638   75.221   0.9991   73.364   1.0297 1.856544 1.434737 
1 1 1   15   27    7 o   59.415   0.6703  3428.90   77.296  3440.56  108.307  3416.79  110.349   59.518   0.9374   59.311   0.9584 0.2069283 1.340667 
1 1 1   15   27    8 o   21.903   1.1275  467.859   47.372  378.759   65.812  563.660   68.242   19.729   1.7184   24.076   1.4601 -4.347132 2.254997 
1 1 1   15   27    9 o   41.670   0.7535  1686.32   60.917  1766.06   87.094  1609.94   85.235   42.634   1.0524   40.705   1.0787 1.929176 1.507000 
1 1 1   15   27   10 o  104.626   0.9131 10641.38  185.445 10733.05  263.655 10551.63  260.884  105.072   1.2927  104.181   1.2900 0.8914185 1.826227 
1 1 1   15   27   11 o   59.860   0.7242  3481.29   84.133  3509.66  120.458  3454.27  117.560   60.097   1.0326   59.622   1.0157 0.4749260 1.448419 
1 1 1   15   27   12 o   9.4802   2.3845   75.703   55.567   90.838   77.358   59.569   79.869   9.9566   3.3669   9.0039   3.3775 0.9527245 4.769054 
1 1 1   15   27   13 o   31.609   1.0045  975.473   61.402  886.502   87.416  1062.12   86.266   30.177   1.4923   33.040   1.3450 -2.863266 2.008979 
1 1 1   15   27   14 o   15.784   1.9561  252.034   57.677  308.884   81.662  195.449   81.472   17.756   2.3693   13.812   3.1132 3.943647 3.912249 
1 1 1   15   27   15 o   31.514   0.9805  976.649   59.367  888.412   87.920  1050.60   80.488   30.183   1.5006   32.845   1.2624 -2.662407 1.960984 
1 1 1   15   27   16 o   47.767   0.7877  2221.33   73.027  2204.11  102.372  2239.17  104.204   47.579   1.1084   47.955   1.1194 -0.3754234 1.575324 
1 1 1   15   27   17 o   70.273   0.7907  4811.77  107.861  4778.19  152.129  4845.70  152.952   70.026   1.1191   70.520   1.1173 -0.4933777 1.581419 
1 1 1   15   27   18 o   75.516   0.8054  5560.25  118.013  5486.85  164.052  5638.97  169.894   75.003   1.1268   76.028   1.1512 -1.024467 1.610840 
1 1 1   15   27   19 f   20.491   1.5135  424.412   58.995  340.362   85.392  501.161   81.600   18.459   2.3831   22.523   1.8664 -4.063639 3.026998 
1 1 1   15   27   20 o   13.955   2.2472  208.576   59.678  180.959   84.655  235.861   84.143   12.970   3.3417   14.941   3.0053 -1.971214 4.494328 
1 1 1   15   27   21 o   24.425   1.3297  586.742   62.451  712.882   93.622  485.618   83.826   26.788   1.8004   22.063   1.9572 4.724543 2.659392 
1 1 1   15   27   22 o   11.514   2.4440  146.543   61.101   98.765   91.099  185.613   82.379   10.034   3.6341   12.994   3.2689 -2.959785 4.887947 
1 1 1   15   27   23 o   26.386   1.2689  703.483   63.499  672.444   99.735  724.642   82.346   25.794   1.9919   26.979   1.5724 -1.184933 2.537713 
1 1 1   15   28    0 o   68.127   0.6678  4506.80   88.310  4580.40  125.607  4434.85  124.184   68.677   0.9422   67.577   0.9467 1.100090 1.335621 
1 1 1   15   28    1 o   37.890   0.6909  1390.89   50.419  1420.35   76.602  1368.37   66.972   38.241   1.0319   37.538   0.9191 0.7036514 1.381862 
1 1 1   15   28    2 o  116.569   0.9459 13201.79  213.990 13574.89  304.570 12838.06  300.722  118.197   1.3274  114.942   1.3478 3.254562 1.891732 
1 1 1   15   28    3 o   76.762   0.7354  5721.86  109.564  5831.57  156.323  5615.93  153.606   77.485   1.0393   76.039   1.0407 1.446175 1.470745 
1 1 1   15   28    4 o   76.521   0.7322  5686.34  108.703  5654.12  151.169  5720.84  156.424   76.297   1.0207   76.745   1.0500 -0.4472351 1.464340 
1 1 1   15   28    5 o   87.621   0.7841  7457.88  133.342  7434.59  186.827  7482.07  190.370   87.482   1.1002   87.760   1.1175 -0.2776718 1.568144 
1 1 1   15   28    6 f   35.340   0.7560  1217.95   51.597  1270.19   70.477  1157.60   75.745   36.162   1.0040   34.518   1.1304 1.643433 1.511904 
1 1 1   15   28    7 o   80.955   0.7575  6367.20  119.023  6379.19  166.797  6354.77  169.893   81.033   1.0604   80.876   1.0822 0.1568375 1.515077 
1 1 1   15   28    8 o  133.947   1.1154 17454.17  290.007 17502.94  411.852 17406.21  408.434  134.132   1.5818  133.763   1.5730 0.3694305 2.230750 
1 1 1   15   28    9 o   64.722   0.7130  4061.13   89.483  4265.61  130.206  3878.11  123.182   66.262   1.0123   63.181   1.0044 3.080841 1.425994 
1 1 1   15   28   10 o   57.341   0.7038  3188.37   78.244  3068.45  107.442  3323.78  114.171   56.196   0.9849   58.486   1.0056 -2.290043 1.407604 
1 1 1   15   28   11 o   82.392   0.8325  6597.49  133.134  6739.27  189.816  6460.21  186.780   83.263   1.1744   81.521   1.1803 1.742744 1.665034 
1 1 1   15   28   12 o   77.198   0.8031  5786.90  120.264  5980.29  173.954  5609.82  166.453   78.431   1.1426   75.964   1.1288 2.466667 1.606124 
1 1 1   15   28   13 o   27.044   1.1717  712.128   61.482  743.583   88.272  682.492   85.683   27.624   1.6461   26.464   1.6679 1.160479 2.343444 
1 1 1   15   28   14 o   42.582   0.7949  1763.04   65.660  1790.07   94.974  1738.29   90.875   42.893   1.1407   42.271   1.1075 0.6218872 1.589857 
1 1 1   15   28   15 o   12.408   2.5858  145.080   61.741  190.495  115.509  126.914   73.053   13.645   4.0602   11.170   3.2031 2.474504 5.171566 
1 1 1   15   28   16 o   56.811   0.7693  3142.94   84.833  3144.42  119.578  3141.43  120.369   56.825   1.0840   56.797   1.0918 0.2838516E-01 1.538533 
1 1 1   15   28   17 f   43.451   0.8260  1841.91   69.630  1784.64   99.079  1897.79   97.875   42.779   1.1931   44.123   1.1427 -1.343948 1.652068 
1 1 1   15   28   18 o   28.602   1.1018  803.346   61.064  748.614   86.419  857.922   86.296   27.617   1.6120   29.587   1.5026 -1.969166 2.203659 
1 1 1   15   28   19 o   7.8069   2.2289   17.987   56.228 -44.7891   82.228   73.120   77.059   6.4853   2.9561   9.1286   3.3368 -2.643291 4.457884 
1 1 1   15   28   20 o   30.578   1.0731  920.802   63.606  917.887   92.308  923.437   87.768   30.520   1.5581   30.636   1.4758 -0.1158276 2.146100 
1 1 1   15   28   21 o   26.590   1.2279  699.799   63.177  732.466   93.913  672.795   85.385   27.139   1.7827   26.042   1.6891 1.096905 2.455764 
1 1 1   15   28   22 o   22.017   1.5288  490.344   65.182  494.840   95.719  486.457   89.010   22.081   2.2331   21.953   2.0887 0.1277676 3.057663 
1 1 1   15   28   23 o   9.5704   2.4543   88.269   62.530   28.126   95.463  133.463   82.753   8.1992   3.4712   10.942   3.4706 -2.742418 4.908578 
1 1 1   15   29    0 f   91.617   0.9337  8139.56  160.208  8218.00  264.484  8094.10  201.352   91.952   1.4818   91.282   1.1363 0.6693268 1.867305 
1 1 1   15   29    1 o  112.473   0.9132 12289.29  199.345 12184.63  278.703 12398.91  285.243  111.984   1.2821  112.962   1.3008 -0.9785995 1.826444 
1 1 1   15   29    2 o   39.902   0.6470  1545.60   50.082  1529.49   69.478  1563.02   72.257   39.686   0.9019   40.118   0.9279 -0.4320602 1.293943 
1 1 1   15   29    3 o   23.582   0.8728  545.916   39.502  590.391   53.478  492.510   58.602   24.653   1.1175   22.512   1.3410 2.140440 1.745586 
1 1 1   15   29    4 o   42.194   0.6467  1720.83   52.819  1622.16   71.518  1839.25   78.344   40.870   0.9015   43.518   0.9274 -2.648167 1.293335 
1 1 1   15   29    5 o   59.773   0.6681  3470.44   77.470  3624.08  110.023  3319.36  109.101   61.086   0.9279   58.460   0.9614 2.625896 1.336117 
1 1 1   15   29    6 o   53.600   0.6727  2794.11   69.879  2868.83   96.913  2713.19  100.853   54.348   0.9186   52.851   0.9830 1.497478 1.345441 
1 1 1   15   29    7 o   30.319   0.8970  895.461   52.645  925.997   72.598  861.594   76.454   30.867   1.2116   29.771   1.3230 1.096567 1.793939 
1 1 1   15   29    8 o   70.922   0.7403  4887.62  101.898  4939.62  143.375  4834.53  144.847   71.304   1.0358   70.540   1.0578 0.7640610 1.480518 
1 1 1   15   29    9 o   35.416   0.8247  1218.08   56.668  1250.78   81.772  1187.87   78.603   35.873   1.1743   34.960   1.1583 0.9131279 1.649410 
1 1 1   15   29   10 o  102.503   0.9222 10216.23  183.481 10347.86  261.015 10087.65  257.975  103.156   1.3035  101.851   1.3048 1.305443 1.844348 
1 1 1   15   29   11 o   69.972   0.7682  4759.04  104.341  4788.31  146.898  4729.24  148.231   70.190   1.0781   69.754   1.0947 0.4357986 1.536492 
1 1 1   15   29   12 o   72.838   0.7758  5157.52  109.685  5133.97  154.857  5181.22  155.381   72.671   1.0977   73.005   1.0964 -0.3338089 1.551520 
1 1 1   15   29   13 o   17.487   1.7600  315.445   55.829  379.989   75.214  236.249   83.315   19.724   1.9644   15.249   2.9209 4.475030 3.520061 
1 1 1   15   29   14 o   28.216   1.0294  781.185   55.757  737.924   84.024  815.222   74.531   27.503   1.5738   28.929   1.3272 -1.425941 2.058751 
1 1 1   15   29   15 o   40.521   0.8340  1599.15   65.598  1605.31   92.458  1592.90   93.086   40.600   1.1731   40.442   1.1857 0.1588249 1.668000 
1 1 1   15   29   16 o   51.263   0.7861  2560.13   78.226  2567.54  110.587  2552.71  110.669   51.337   1.1097   51.188   1.1138 0.1491165 1.572223 
1 1 1   15   29   17 o   42.411   0.8046  1753.16   66.203  1668.27   92.668  1841.65   94.612   41.360   1.1542   43.462   1.1214 -2.101883 1.609282 
1 1 1   15   29   18 o   44.216   0.7901  1908.55   67.804  1955.88   96.527  1862.45   95.265   44.758   1.1110   43.673   1.1237 1.085094 1.580205 
1 1 1   15   29   19 o   14.769   1.9187  226.208   52.908  215.019   81.467  234.369   69.579   14.251   3.0378   15.287   2.3447 -1.036613 3.837408 
1 1 1   15   29   20 o   35.064   0.9360  1210.08   63.272  1181.82   94.594  1232.96   85.115   34.667   1.4057   35.461   1.2365 -0.7943611 1.872098 
1 1 1   15   29   21 f   16.218   2.0265  286.406   60.310  208.636   89.225  351.830   81.836   13.783   3.3643   18.652   2.2603 -4.868683 4.053043 
1 1 1   15   29   22 o   20.558   1.6353  429.626   64.995  449.405   97.127  413.587   87.465   20.951   2.3881   20.164   2.2345 0.7868919 3.270521 
1 1 1   15   29   23 o   27.349   1.2740  753.740   67.071  754.588  101.525  753.082   89.344   27.297   1.9160   27.402   1.6797 -0.1050110 2.548007 
1 1 1   15   30    0 o   41.716   0.6121  1684.64   49.372  1634.38   66.495  1746.39   73.704   41.026   0.8350   42.407   0.8953 -1.381062 1.224259 
1 1 1   15   30    1 o   79.259   0.7290  6102.79  112.122  6142.87  156.711  6060.77  160.484   79.527   1.0151   78.992   1.0466 0.5349808 1.458037 
1 1 1   15   30    2 o   60.400   0.7452  3563.54   83.410  3611.88  103.912  3475.97  139.860   60.986   0.8777   59.813   1.2046 1.172802 1.490440 
1 1 1   15   30    3 o   32.624   0.7369  1024.54   46.407  888.655   62.623  1190.06   69.115   30.246   1.0666   35.003   1.0172 -4.756733 1.473877 
1 1 1   15   30    4 o   42.580   0.6529  1756.14   53.697  1715.62   72.062  1806.72   80.517   42.030   0.8832   43.130   0.9617 -1.099091 1.305760 
1 1 1   15   30    5 o   95.015   0.8318  8760.40  153.307  8481.60  211.735  9067.63  222.266   93.429   1.1675   96.601   1.1853 -3.172195 1.663697 
1 1 1   15   30    6 o   40.678   0.7156  1606.28   56.462  1518.89   78.756  1698.70   80.991   39.540   1.0261   41.816   0.9978 -2.276054 1.431199 
1 1 1   15   30    7 o   50.353   0.6837  2465.05   66.739  2508.79   92.514  2417.60   96.369   50.820   0.9378   49.885   0.9952 0.9348106 1.367414 
1 1 1   15   30    8 o   7.8439   2.2056   30.526   50.608   44.286   69.786   15.264   73.499   8.1829   3.1367   7.5048   3.1017 0.6781340 4.411295 
1 1 1   15   30    9 o   59.370   0.7330  3425.25   84.473  3428.29  119.425  3422.22  119.502   59.396   1.0358   59.343   1.0374 0.5270767E-01 1.465952 
1 1 1   15   30   10 o   46.832   0.7552  2135.16   68.531  2223.62   95.495  2041.22   98.407   47.836   1.0284   45.828   1.1062 2.008202 1.510386 
1 1 1   15   30   11 o   86.049   0.8392  7195.31  140.141  7382.68  201.162  7018.62  195.344   87.137   1.1893   84.962   1.1844 2.175056 1.678460 
1 1 1   15   30   12 o   29.327   1.0683  838.286   60.744  820.221   87.496  855.093   84.398   29.019   1.5532   29.635   1.4671 -0.6160431 2.136560 
1 1 1   15   30   13 o   58.563   0.7527  3334.20   85.547  3415.01  122.585  3257.48  119.439   59.254   1.0657   57.872   1.0632 1.382553 1.505388 
1 1 1   15   30   14 o   25.570   1.1187  638.672   55.237  632.371   82.215  643.856   74.576   25.447   1.6643   25.692   1.4953 -0.2451363 2.237398 
1 1 1   15   30   15 o   10.723   2.4219  109.979   58.217   74.267   80.583  148.967   84.197   9.4048   3.4161   12.042   3.4341 -2.636847 4.843822 
1 1 1   15   30   16 o   11.734   2.3508  141.883   56.501  117.019   80.013  166.612   79.797   10.816   3.4107   12.653   3.2360 -1.837246 4.701537 
1 1 1   15   30   17 o   15.127   1.9551  259.486   53.054  129.573   81.232  356.118   70.059   11.236   3.4190   19.019   1.8976 -7.783551 3.910269 
1 1 1   15   30   18 o   11.015   2.3719  125.027   55.194  140.962   81.882  111.758   74.720   11.578   3.4118   10.451   3.2960 1.127728 4.743883 
1 1 1   15   30   19 o   9.3138   2.3718   78.641   53.906   85.589   85.571   74.070   69.409   9.6834   3.5198   8.9443   3.1800 0.7391586 4.743583 
1 1 1   15   30   20 o   23.381   1.3210  556.210   58.514  454.986   86.932  640.063   79.122   21.315   2.1010   25.446   1.6018 -4.130812 2.641945 
1 1 1   15   30   21 o   27.119   1.1795  721.240   60.969  781.415   97.314  682.357   78.225   27.989   1.7911   26.249   1.5352 1.740013 2.359034 
1 1 1   15   30   22 o   37.410   0.9707  1398.89   69.471  1281.51  104.834  1490.79   92.764   35.926   1.5032   38.894   1.2287 -2.967991 1.941471 
1 1 1   15   30   23 o   10.483   2.6296  122.003   69.540   52.148  123.582  154.370   84.122   9.3554   3.9545   11.610   3.4673 -2.254509 5.259257 
1 1 1   15   31    0 o   52.885   0.6201  2712.58   63.595  2644.13   87.578  2788.94   92.496   52.181   0.8646   53.590   0.8892 -1.408985 1.240223 
1 1 1   15   31    1 o   36.281   0.7360  1292.50   50.211  1338.10   64.167  1220.47   80.642   37.120   0.8905   35.443   1.1721 1.676628 1.472022 
1 1 1   15   31    2 o   82.623   0.7632  6632.13  122.396  6732.41  172.894  6531.38  173.296   83.250   1.0699   81.996   1.0888 1.253578 1.526437 
1 1 1   15   31    3 o   55.669   0.6500  3011.50   70.158  3046.09   97.156  2973.81  101.419   56.004   0.8937   55.334   0.9442 0.6704063 1.300070 
1 1 1   15   31    4 o   59.138   0.6614  3397.08   75.913  3410.04  106.652  3383.77  108.077   59.253   0.9272   59.024   0.9433 0.2294006 1.322711 
1 1 1   15   31    5 o   32.331   0.7723  1016.59   48.381  1089.79   68.576  944.045   68.269   33.492   1.0548   31.170   1.1283 2.322065 1.544556 
1 1 1   15   31    6 o   35.999   0.7715  1258.68   53.848  1269.34   78.258  1249.09   74.210   36.142   1.1154   35.855   1.0662 0.2876434 1.543059 
1 1 1   15   31    7 o   17.472   1.5216  306.500   49.888  224.143   72.314  381.293   68.914   15.154   2.4583   19.790   1.7938 -4.636889 3.043246 
1 1 1   15   31    8 o   49.219   0.7247  2358.27   69.116  2464.94   96.444  2245.64   99.099   50.368   0.9864   48.071   1.0620 2.296776 1.449433 
1 1 1   15   31    9 o   59.762   0.7344  3470.83   85.191  3431.85  120.696  3509.53  120.262   59.427   1.0463   60.097   1.0309 -0.6698189 1.468816 
1 1 1   15   31   10 o   90.919   0.8453  8034.25  149.159  8175.23  213.495  7899.80  208.480   91.697   1.1994   90.140   1.1915 1.556870 1.690608 
1 1 1   15   31   11 o   59.869   0.7484  3483.15   86.968  3547.45  124.271  3421.42  121.751   60.411   1.0597   59.328   1.0572 1.082569 1.496876 
1 1 1   15   31   12 f   33.219   0.9299  1074.06   59.965  1067.33   84.618  1080.84   84.990   33.114   1.3164   33.323   1.3139 -0.2091637 1.859885 
1 1 1   15   31   13 o   28.158   1.0186  775.659   55.453  730.986   80.579  815.852   76.431   27.379   1.5162   28.938   1.3606 -1.558941 2.037171 
1 1 1   15   31   14 o   49.398   0.7625  2374.13   73.088  2346.76  101.686  2403.39  105.125   49.105   1.0668   49.691   1.0898 -0.5860519 1.525046 
1 1 1   15   31   15 o   59.496   0.7638  3447.95   88.181  3463.15  123.138  3431.95  126.338   59.634   1.0637   59.359   1.0964 0.2754440 1.527643 
1 1 1   15   31   16 o   23.731   1.1904  554.939   54.515  513.224   79.495  591.972   74.902   22.869   1.7907   24.592   1.5690 -1.723139 2.380849 
1 1 1   15   31   17 o   39.398   0.8110  1516.22   61.995  1469.68   88.031  1562.01   87.321   38.794   1.1690   40.003   1.1245 -1.209148 1.622044 
1 1 1   15   31   18 o   45.597   0.7738  2034.22   68.400  1958.53   98.015  2106.07   95.500   44.759   1.1281   46.434   1.0595 -1.675007 1.547612 
1 1 1   15   31   19 o   43.726   0.8012  1870.91   67.967  1866.80   97.811  1874.74   94.514   43.673   1.1537   43.779   1.1122 -0.1057167 1.602500 
1 1 1   15   31   20 o   46.953   0.8129  2160.88   73.999  2176.63  107.587  2146.73  101.942   47.105   1.1766   46.802   1.1221 0.3022308 1.625864 
1 1 1   15   31   21 o   33.942   0.9972  1148.13   64.646  1076.98   98.910  1201.19   85.415   32.955   1.5462   34.929   1.2598 -1.973530 1.994386 
1 1 1   15   31   22 o   38.551   0.9161  1447.94   67.273  1574.64  107.676  1366.82   86.158   39.861   1.3916   37.240   1.1918 2.621021 1.832187 
1 1 1   15   32    0 o   39.842   0.6864  1540.54   51.716  1536.18   66.022  1547.47   83.195   39.773   0.8552   39.912   1.0738 -0.1396141 1.372717 
1 1 1   15   32    1 o   83.047   0.7558  6700.32  121.809  6906.22  172.694  6496.46  171.837   84.318   1.0551   81.776   1.0825 2.541481 1.511635 
1 1 1   15   32    2 o   38.949   0.6707  1472.23   50.677  1441.56   70.192  1505.62   73.243   38.525   0.9386   39.372   0.9583 -0.8462143 1.341395 
1 1 1   15   32    3 o   76.670   0.7340  5711.08  109.223  5741.55  153.200  5679.58  155.760   76.879   1.0266   76.461   1.0494 0.4175110 1.468031 
1 1 1   15   32    4 o   26.402   0.8697  677.136   44.538  713.671   63.704  642.201   62.293   27.098   1.2110   25.705   1.2484 1.393717 1.739302 
1 1 1   15   32    5 o   25.642   1.0940  642.077   53.654  654.911   70.513  624.429   82.689   25.952   1.3997   25.331   1.6816 0.6214485 2.187931 
1 1 1   15   32    6 o   75.164   0.7363  5484.81  107.395  5658.04  154.390  5322.42  149.488   76.312   1.0422   74.015   1.0405 2.297813 1.472676 
1 1 1   15   32    7 o   83.237   0.8020  6733.74  129.577  6745.08  184.230  6722.64  182.286   83.305   1.1393   83.168   1.1291 0.1376801 1.603988 
1 1 1   15   32    8 o   31.195   0.9387  946.460   56.758  944.379   82.468  948.332   78.234   31.160   1.3634   31.229   1.2905 -0.6851387E-01 1.877317 
1 1 1   15   32    9 o   38.270   1.0324  1441.63   73.066  1368.99  122.132  1482.12   91.183   37.495   1.6780   39.044   1.2031 -1.549442 2.064717 
1 1 1   15   32   10 o   33.952   0.9150  1118.82   60.240  1057.44   83.076  1186.88   87.480   32.972   1.2980   34.932   1.2901 -1.960350 1.830062 
1 1 1   15   32   11 o   15.474   1.9702  259.241   54.916  152.887   83.277  341.077   73.050   12.258   3.3871   18.689   2.0135 -6.430964 3.940429 
1 1 1   15   32   12 o   49.603   0.7597  2394.22   73.112  2304.43  103.436  2483.88  103.357   48.671   1.0948   50.535   1.0536 -1.863743 1.519432 
1 1 1   15   32   13 o   35.585   0.8677  1229.22   59.727  1278.25   88.910  1188.90   80.630   36.226   1.2643   34.945   1.1886 1.281857 1.735337 
1 1 1   15   32   14 o   21.610   1.4385  458.253   59.453  360.066   81.833  568.016   86.522   19.138   2.2028   24.082   1.8508 -4.944353 2.877088 
1 1 1   15   32   15 o   10.026   2.3540   94.558   54.800   62.491   77.896  125.980   77.108   8.9338   3.3386   11.117   3.3195 -2.183413 4.708009 
1 1 1   15   32   16 o   26.682   1.0792  700.183   55.591  659.958   81.489  735.198   76.029   25.947   1.6179   27.416   1.4286 -1.468899 2.158315 
1 1 1   15   32   17 o   40.397   0.8350  1586.55   65.291  1707.15   96.954  1486.48   88.319   41.791   1.1952   39.003   1.1665 2.787910 1.670076 
1 1 1   15   32   18 o   9.8095   2.3851   92.393   55.157  113.455   80.969   74.157   75.343   10.527   3.4416   9.0916   3.3030 1.435869 4.770158 
1 1 1   15   32   19 o   17.508   1.7157  307.976   58.127  344.022   85.168  276.545   79.530   18.477   2.3745   16.540   2.4771 1.937738 3.431362 
1 1 1   15   32   20 o   36.709   0.9465  1332.87   67.143  1240.35   97.312  1416.94   92.759   35.457   1.4138   37.961   1.2588 -2.503830 1.893001 
1 1 1   15   32   21 o   7.8653   2.3153   26.475   59.195   2.3985   85.713   48.429   81.849   7.3885   3.2105   8.3422   3.3370 -0.9537182 4.630618 
1 1 1   15   32   22 o   19.586   1.7129  382.597   62.929  551.127   98.961  268.185   81.538   23.183   2.1990   15.990   2.6269 7.192694 3.425843 
1 1 1   15   33    0 o   5.5377   1.7326 -18.8402   37.108  -4.1950   50.300 -36.3290   54.967   5.7840   2.4862   5.2913   2.4138 0.4927063 3.465212 
1 1 1   15   33    1 o   15.338   1.3101  229.667   38.887  242.013   53.932  216.300   56.122   15.771   1.7617   14.905   1.9397 0.8653326 2.620285 
1 1 1   15   33    2 o   64.681   0.7840  4047.10   93.860  4006.54  116.075  4123.73  159.538   64.225   0.9310   65.137   1.2617 -0.9119492 1.568069 
1 1 1   15   33    3 o   27.901   0.8411  757.533   45.497  720.889   64.821  793.116   63.875   27.234   1.2261   28.568   1.1518 -1.334091 1.682277 
1 1 1   15   33    4 o   38.276   0.7287  1423.90   54.115  1376.56   76.653  1470.95   76.408   37.641   1.0491   38.911   1.0116 -1.270584 1.457345 
1 1 1   15   33    5 o   82.826   0.7771  6664.41  124.914  6591.19  174.686  6741.03  178.693   82.361   1.0926   83.291   1.1052 -0.9298172 1.554126 
1 1 1   15   33    6 o   46.467   0.7272  2095.12   65.543  2168.80   95.119  2028.50   90.441   47.244   1.0372   45.691   1.0197 1.552780 1.454488 
1 1 1   15   33    7 o   46.296   0.7215  2080.68   64.714  1904.89   90.038  2268.54   93.076   44.274   1.0476   48.319   0.9923 -4.044586 1.443012 
1 1 1   15   33    8 o   79.787   0.7785  6187.19  120.574  6183.85  170.361  6190.54  170.674   79.765   1.1003   79.808   1.1017 -0.4304504E-01 1.556999 
1 1 1   15   33    9 o   68.892   0.7525  4609.67  100.569  4384.09  140.353  4847.71  144.177   67.159   1.0766   70.624   1.0517 -3.464142 1.505009 
1 1 1   15   33   10 o  124.438   1.0760 15074.18  259.881 14806.18  364.162 15352.33  370.988  123.311   1.5213  125.565   1.5220 -2.253510 2.152003 
1 1 1   15   33   11 o   47.559   0.7421  2200.47   68.466  2166.40   98.155  2232.76   95.549   47.198   1.0713   47.919   1.0272 -0.7212563 1.484210 
1 1 1   15   33   12 o   19.472   1.5110  373.904   56.618  319.521   80.424  427.340   79.720   18.045   2.2959   20.899   1.9650 -2.854059 3.022046 
1 1 1   15   33   13 o   44.160   0.9367  1916.21   76.325  1850.28  128.756  1951.94   94.772   43.540   1.5234   44.781   1.0902 -1.241016 1.873336 
1 1 1   15   33   14 o   27.229   1.1160  723.005   58.821  649.831   81.168  803.937   85.362   25.776   1.6222   28.682   1.5332 -2.905609 2.232085 
1 1 1   15   33   15 o   31.019   0.9170  934.585   54.993  989.032   82.321  890.707   73.901   31.826   1.3325   30.212   1.2601 1.613848 1.833947 
1 1 1   15   33   16 o   25.992   1.0732  659.372   54.024  706.808   79.769  619.180   73.426   26.850   1.5305   25.135   1.5049 1.715250 2.146431 
1 1 1   15   33   17 o   50.032   0.7767  2444.58   75.359  2467.16  109.199  2424.06  104.130   50.246   1.1196   49.818   1.0768 0.4281311 1.553333 
1 1 1   15   33   18 o   28.063   1.0776  775.539   58.625  828.739   83.530  723.892   82.302   29.023   1.4827   27.104   1.5643 1.918663 2.155275 
1 1 1   15   33   19 o   38.164   0.9099  1432.90   67.304  1357.85   95.927  1505.66   94.454   37.163   1.3297   39.165   1.2424 -2.002331 1.819821 
1 1 1   15   33   20 o   13.799   2.2494  205.774   59.521  263.232   87.767  156.847   80.990   15.656   2.9970   11.942   3.3550 3.714479 4.498710 
1 1 1   15   33   21 o   27.854   1.1796  772.085   63.541  800.297   94.675  748.960   85.714   28.290   1.7240   27.419   1.6104 0.8709621 2.359179 
1 1 1   15   33   22 o   36.412   1.0204  1315.02   71.528  1354.10  108.971  1285.44   94.812   36.833   1.5241   35.990   1.3571 0.8432693 2.040715 
1 1 1   15   34    0 o   84.550   0.7934  6946.06  130.210  7087.04  184.707  6806.78  183.589   85.404   1.1141   83.697   1.1300 1.706993 1.586881 
1 1 1   15   34    1 o   60.077   0.6647  3504.81   77.503  3435.83  108.430  3576.88  110.822   59.473   0.9392   60.682   0.9408 -1.208424 1.329371 
1 1 1   15   34    2 o   68.225   0.6957  4518.89   92.092  4433.68  127.840  4610.81  132.777   67.557   0.9748   68.892   0.9929 -1.335136 1.391426 
1 1 1   15   34    3 o   9.1447   2.0735   76.441   42.960   46.665   59.478  108.918   62.116   7.8735   2.9223   10.416   2.9424 -2.542414 4.146956 
1 1 1   15   34    4 o   65.720   0.7102  4191.81   90.552  4352.44  130.509  4042.70  125.744   66.933   1.0045   64.508   1.0042 2.425598 1.420326 
1 1 1   15   34    5 o   60.815   0.8096  3627.97   92.481  3733.25  117.789  3458.76  149.330   61.987   0.9789   59.642   1.2898 2.344864 1.619212 
1 1 1   15   34    6 o   41.624   0.7497  1686.17   60.487  1772.05   84.920  1597.73   86.178   42.703   1.0244   40.545   1.0949 2.158211 1.499449 
1 1 1   15   34    7 o  120.487   1.0419 14110.54  243.565 14589.19  351.259 13667.26  338.028  122.452   1.4777  118.521   1.4692 3.930511 2.083830 
1 1 1   15   34    8 o   77.120   0.7781  5781.30  116.481  5851.65  164.785  5711.04  164.672   77.589   1.0941   76.650   1.1067 0.9391327 1.556232 
1 1 1   15   34    9 o  141.646   1.1937 19547.89  328.208 19615.33  465.169 19481.02  463.151  141.889   1.6889  141.403   1.6873 0.4861145 2.387330 
1 1 1   15   34   10 o   54.755   0.7524  2915.28   79.971  2906.61  113.681  2923.77  112.520   54.674   1.0711   54.836   1.0570 -0.1625061 1.504886 
1 1 1   15   34   11 o   60.127   0.7551  3516.80   88.131  3519.76  124.835  3513.86  124.437   60.152   1.0691   60.102   1.0666 0.5011368E-01 1.510161 
1 1 1   15   34   12 o   38.086   0.8528  1412.12   63.028  1427.19   90.405  1397.87   87.917   38.283   1.2165   37.889   1.1953 0.3932152 1.705516 
1 1 1   15   34   13 o   30.527   1.0195  909.353   60.404  901.100   84.493  917.980   86.387   30.386   1.4324   30.667   1.4511 -0.2810783 2.039047 
1 1 1   15   34   14 o   55.168   0.7530  2964.60   80.629  2965.06  113.246  2964.12  114.824   55.174   1.0574   55.162   1.0723 0.1145935E-01 1.505947 
1 1 1   15   34   15 o   41.945   0.7790  1715.24   63.329  1718.01   92.239  1712.78   87.103   41.972   1.1321   41.918   1.0704 0.5341339E-01 1.558054 
1 1 1   15   34   16 o   10.107   2.3614  100.518   54.469   78.687   77.502  121.826   76.569   9.3548   3.3567   10.860   3.3224 -1.505136 4.722864 
1 1 1   15   34   17 o   34.214   0.9415  1147.98   62.508  1104.45   87.662  1193.01   89.157   33.551   1.3460   34.878   1.3169 -1.327232 1.883034 
1 1 1   15   34   18 o   22.253   1.3328  491.744   57.152  571.904   82.384  417.376   79.351   24.032   1.7660   20.474   1.9966 3.558311 2.665517 
1 1 1   15   34   19 o   19.059   1.5640  365.563   57.804  388.984   83.637  344.145   79.981   19.649   2.1928   18.470   2.2308 1.178976 3.128085 
1 1 1   15   34   20 o   11.700   2.4138  150.022   58.511  175.842   85.166  126.940   80.524   12.580   3.4046   10.820   3.4226 1.759811 4.827597 
1 1 1   15   34   21 o   35.544   1.0003  1258.95   68.492  1197.95  101.845  1309.32   92.546   34.700   1.5120   36.388   1.3102 -1.688068 2.000677 
1 1 1   15   35    0 o   33.418   0.7121  1084.41   46.173  1067.34   64.161  1102.75   66.499   33.146   0.9972   33.691   1.0168 -0.5447540 1.424180 
1 1 1   15   35    1 o   19.097   1.1368  358.953   41.636  394.148   56.630  317.546   61.426   20.132   1.4491   18.062   1.7519 2.069992 2.273555 
1 1 1   15   35    2 o   25.143   0.9421  614.969   45.935  584.075   64.977  645.832   64.945   24.510   1.3657   25.775   1.2980 -1.265373 1.884142 
1 1 1   15   35    3 o   68.650   0.7188  4567.27   95.670  4822.97  139.642  4341.10  131.335   70.456   1.0210   66.844   1.0122 3.611725 1.437696 
1 1 1   15   35    4 o   42.645   0.7127  1767.83   58.974  1817.31   83.081  1717.58   83.727   43.248   0.9896   42.043   1.0259 1.205067 1.425436 
1 1 1   15   35    5 o  114.221   0.9547 12687.05  211.673 12905.67  301.152 12473.58  297.582  115.194   1.3468  113.248   1.3537 1.945984 1.909498 
1 1 1   15   35    6 o   68.274   0.7227  4528.57   95.774  4459.38  134.267  4600.25  136.654   67.743   1.0210   68.805   1.0232 -1.061432 1.445454 
1 1 1   15   35    7 o   32.903   0.8864  1052.73   56.612  1050.72   79.727  1054.76   80.399   32.871   1.2495   32.934   1.2576 -0.6271362E-01 1.772772 
1 1 1   15   35    8 o   66.231   0.7430  4251.81   95.392  4539.33  139.110  3996.60  131.060   68.338   1.0486   64.123   1.0529 4.215645 1.486032 
1 1 1   15   35    9 o   11.610   2.2992  137.251   53.957  124.089   79.995  148.238   73.086   11.174   3.3912   12.046   3.1057 -0.8720942 4.598441 
1 1 1   15   35   10 o   43.128   0.7717  1814.17   64.405  1728.73   93.397  1891.63   88.932   42.153   1.1414   44.103   1.0388 -1.950470 1.543345 
1 1 1   15   35   11 o   99.723   0.9191  9686.81  177.913  9655.85  250.505  9718.32  252.724   99.563   1.2961   99.883   1.3034 -0.3195267 1.838192 
1 1 1   15   35   12 o   31.097   0.9513  942.542   57.412  954.346   82.177  931.286   80.244   31.286   1.3531   30.907   1.3375 0.3786831 1.902572 
1 1 1   15   35   13 o   21.480   1.3462  457.712   55.213  549.704   77.898  364.841   78.269   23.698   1.6934   19.263   2.0931 4.434515 2.692364 
1 1 1   15   35   14 o   16.284   1.7041  271.722   51.252  222.398   75.833  313.197   69.537   14.726   2.7540   17.842   2.0078 -3.115415 3.408228 
1 1 1   15   35   15 o   6.2403   2.0078 -44.8288   53.829 -69.2825   77.854 -22.4316   74.508   5.9087   2.7574   6.5719   2.9191 -0.6631455 4.015560 
1 1 1   15   35   16 o   31.261   0.9917  957.700   60.155  989.586   86.510  927.849   83.704   31.764   1.4030   30.758   1.4019 1.006531 1.983403 
1 1 1   15   35   17 o   31.274   0.9973  960.254   60.497  1015.32   86.827  908.299   84.339   32.150   1.3913   30.398   1.4293 1.751591 1.994606 
1 1 1   15   35   18 o   14.932   1.9583  238.156   54.383  163.533   77.738  309.682   76.108   12.310   3.2174   17.554   2.2335 -5.244402 3.916617 
1 1 1   15   35   19 o   30.691   0.9736  930.585   57.787  907.403   84.861  950.629   78.910   30.311   1.4423   31.072   1.3083 -0.7611828 1.947246 
1 1 1   15   35   20 o   24.326   1.2324  588.049   57.809  619.693   87.771  563.805   76.826   24.870   1.8181   23.782   1.6642 1.087553 2.464726 
1 1 1   15   35   21 o   10.063   2.4809  101.167   60.449  152.660   92.587   62.909   79.805   11.543   3.6720   8.5830   3.3369 2.959573 4.961746 
1 1 1   15   36    0 o   15.796   1.2990  243.846   39.392  199.560   54.976  290.571   56.470   14.313   1.9787   17.279   1.6835 -2.966779 2.598029 
1 1 1   15   36    1 o   54.647   0.6648  2899.52   70.497  2852.00   98.072  2950.34  101.407   54.184   0.9324   55.110   0.9479 -0.9255180 1.329649 
1 1 1   15   36    2 o   31.260   0.7910  950.049   47.978  974.414   67.569  925.273   68.137   31.665   1.0993   30.854   1.1376 0.8101788 1.581967 
1 1 1   15   36    3 o   42.417   0.7271  1749.32   59.835  1706.63   85.312  1790.65   83.943   41.907   1.0487   42.928   1.0073 -1.021217 1.454152 
1 1 1   15   36    4 o   97.641   0.8860  9271.21  167.829  9219.88  241.083  9319.47  233.779   97.376   1.2754   97.906   1.2301 -0.5306778 1.771932 
1 1 1   15   36    5 o   30.662   0.8718  914.003   51.889  927.075   73.750  901.189   73.020   30.879   1.2303   30.445   1.2356 0.4343777 1.743659 
1 1 1   15   36    6 o   74.555   0.7605  5391.02  109.903  5610.66  160.767  5198.33  150.585   75.976   1.0901   73.134   1.0607 2.842232 1.520982 
1 1 1   15   36    7 o   49.024   0.7167  2328.84   68.079  2451.36   99.985  2222.95   92.954   50.221   1.0256   47.826   1.0012 2.395466 1.433306 
1 1 1   15   36    8 o   55.452   0.7329  2990.14   78.856  2943.25  112.496  3035.44  110.569   55.023   1.0532   55.881   1.0193 -0.8579102 1.465706 
1 1 1   15   36    9 f   43.536   0.7880  1843.63   66.592  1861.27   94.351  1826.11   94.000   43.744   1.1111   43.328   1.1176 0.4156189 1.575970 
1 1 1   15   36   10 o   54.240   0.7339  2858.23   77.143  2920.12  112.909  2804.03  105.647   54.787   1.0617   53.692   1.0136 1.094521 1.467846 
1 1 1   15   36   11 o   70.831   0.7683  4880.27  105.608  5034.11  151.335  4734.24  147.445   71.919   1.0840   69.743   1.0891 2.175842 1.536608 
1 1 1   15   36   12 o   25.523   1.1206  643.133   54.894  544.787   78.843  735.656   76.474   23.595   1.7214   27.452   1.4351 -3.857723 2.241133 
1 1 1   15   36   13 o   67.351   0.7641  4419.11   99.892  4457.21  141.595  4381.35  140.946   67.641   1.0784   67.061   1.0827 0.5791092 1.528134 
1 1 1   15   36   14 o   27.246   1.0009  726.619   52.879  691.743   75.034  761.033   74.534   26.590   1.4537   27.902   1.3761 -1.311457 2.001722 
1 1 1   15   36   15 o   20.436   1.4221  414.294   55.985  479.098   80.060  352.280   78.317   22.030   1.8721   18.842   2.1412 3.188057 2.844218 
1 1 1   15   36   16 o   35.654   0.9096  1246.12   62.948  1234.32   89.470  1257.69   88.579   35.484   1.2989   35.825   1.2737 -0.3410606 1.819240 
1 1 1   15   36   17 o   26.150   1.0970  672.271   55.613  708.813   81.132  639.883   76.380   26.817   1.5586   25.483   1.5441 1.333660 2.193903 
1 1 1   15   36   18 o   10.510   2.2579  109.983   51.741  167.737   78.945   66.493   68.506   12.423   3.2399   8.5975   3.1456 3.825829 4.515761 
1 1 1   15   36   19 o   28.732   1.0425  811.154   57.895  878.529   86.937  757.463   77.608   29.785   1.5036   27.678   1.4445 2.107111 2.085011 
1 1 1   15   36   20 o   26.040   1.2206  682.031   60.750  658.076   93.475  699.548   79.934   25.567   1.8834   26.513   1.5531 -0.9459648 2.441177 
1 1 1   15   36   21 o   15.003   2.2562  253.714   63.262  241.417   95.760  263.237   84.270   14.506   3.4509   15.500   2.9075 -0.9941368 4.512432 
1 1 1   15   37    0 f   93.922   0.8682  8576.47  158.277  8624.27  223.328  8528.23  224.350   94.186   1.2215   93.659   1.2340 0.5274887 1.736316 
1 1 1   15   37    1 o   48.695   0.6727  2303.77   63.591  2319.96   90.249  2287.80   89.618   48.865   0.9514   48.526   0.9514 0.3398705 1.345492 
1 1 1   15   37    2 o   32.493   0.7954  1026.31   50.158  1020.16   71.509  1032.26   70.372   32.397   1.1371   32.589   1.1124 -0.1926842 1.590726 
1 1 1   15   37    3 o   34.985   0.8068  1189.62   54.784  1191.81   78.014  1187.48   76.951   35.016   1.1477   34.953   1.1341 0.6304550E-01 1.613546 
1 1 1   15   37    4 o   73.439   0.7608  5241.19  108.436  5095.29  152.618  5389.93  154.098   72.406   1.0858   74.472   1.0660 -2.065910 1.521618 
1 1 1   15   37    5 o   68.469   0.7337  4556.31   97.515  4571.08  137.270  4541.26  138.554   68.582   1.0311   68.357   1.0442 0.2251511 1.467474 
1 1 1   15   37    6 o  120.365   1.0043 14099.00  234.643 14153.94  330.841 14043.41  332.839  120.602   1.4132  120.127   1.4273 0.4749756 2.008580 
1 1 1   15   37    7 o   74.658   0.7610  5419.24  110.238  5208.71  155.251  5633.33  156.557   73.193   1.0927   76.122   1.0595 -2.928886 1.522000 
1 1 1   15   37    8 o   25.861   1.0766  650.885   53.924  663.686   79.272  639.859   73.567   26.095   1.5649   25.628   1.4788 0.4669781 2.153103 
1 1 1   15   37    9 o   51.179   0.7180  2548.54   71.288  2582.95   99.548  2512.33  102.134   51.535   0.9951   50.822   1.0353 0.7134933 1.435958 
1 1 1   15   37   10 o   26.517   1.0532  685.689   54.063  683.489   73.723  688.248   79.517   26.475   1.4345   26.558   1.5424 -0.8242989E-01 2.106374 
1 1 1   15   37   11 o   30.749   0.9577  925.210   56.947  875.467   82.774  969.914   78.469   29.954   1.4236   31.544   1.2815 -1.590185 1.915402 
1 1 1   15   37   12 o   63.085   0.7556  3875.99   92.533  3852.07  130.210  3900.40  131.523   62.889   1.0666   63.281   1.0707 -0.3924713 1.511293 
1 1 1   15   37   13 o   52.198   0.7515  2654.88   76.139  2621.61  107.451  2688.43  107.905   51.869   1.0672   52.527   1.0583 -0.6585960 1.502929 
1 1 1   15   37   14 o   9.6012   2.3694   85.165   54.583   99.852   77.294   70.554   77.090   10.098   3.3655   9.1049   3.3360 0.9926052 4.738775 
1 1 1   15   37   15 o   11.960   2.3333  151.647   55.919  153.397   80.272  149.998   77.943   12.024   3.3268   11.897   3.2726 0.1262608 4.666594 
1 1 1   15   37   16 o   15.772   1.9142  266.731   55.060  193.359   82.067  326.793   74.251   13.444   3.1922   18.099   2.1134 -4.654438 3.828386 
1 1 1   15   37   17 o   18.687   1.5597  348.181   55.460  449.894   82.135  262.946   75.188   21.237   1.9924   16.138   2.4002 5.099293 3.119345 
1 1 1   15   37   18 o   8.0515   2.1326   30.798   53.853 -74.0959   82.523  108.602   71.072   5.9643   2.8012   10.139   3.2164 -4.174390 4.265180 
1 1 1   15   37   19 o   10.605   2.3946  120.112   56.321  148.383   81.150   93.839   78.230   11.579   3.3922   9.6306   3.3808 1.948030 4.789239 
1 1 1   15   37   20 o   29.704   1.1185  884.657   64.182  807.991   92.298  956.439   89.310   28.403   1.6740   31.005   1.4839 -2.602173 2.237050 
1 1 1   15   38    0 o   36.009   1.3067  1225.93   89.343  1096.13  112.997  1442.39  145.926   33.549   1.7351   38.468   1.9542 -4.918655 2.613304 
1 1 1   15   38    1 o   60.203   0.6953  3517.12   81.205  3681.58  117.195  3365.24  112.623   61.555   0.9808   58.851   0.9858 2.704296 1.390625 
1 1 1   15   38    2 o   55.965   0.7006  3041.96   76.092  2956.60  106.418  3131.25  108.845   55.161   0.9938   56.768   0.9877 -1.606216 1.401189 
1 1 1   15   38    3 o   81.195   0.7974  6408.63  125.665  6524.39  178.014  6293.63  177.422   81.927   1.1193   80.464   1.1359 1.463623 1.594739 
1 1 1   15   38    4 o   33.069   0.8632  1059.30   55.287  1160.95   80.862  970.071   75.761   34.554   1.2055   31.584   1.2357 2.969572 1.726352 
1 1 1   15   38    5 o   24.224   1.1334  569.699   53.214  606.447   77.911  537.567   72.854   24.954   1.6084   23.494   1.5974 1.459282 2.266889 
1 1 1   15   38    6 o   16.458   1.6440  265.096   52.272  299.789   74.977  232.287   72.913   17.513   2.2055   15.403   2.4385 2.109262 3.287949 
1 1 1   15   38    7 o   73.990   0.7591  5322.22  109.011  5428.76  155.774  5219.97  152.604   74.715   1.0740   73.264   1.0730 1.450752 1.518199 
1 1 1   15   38    8 o   55.488   0.7271  2993.68   78.224  3013.88  113.533  2975.42  107.930   55.663   1.0507   55.312   1.0052 0.3510895 1.454117 
1 1 1   15   38    9 o   7.2286   2.1600   4.7595   52.410 -11.6439   76.475   19.286   71.968   6.9583   3.0281   7.4990   3.0810 -0.5407748 4.319927 
1 1 1   15   38   10 o   49.804   0.7484  2413.77   72.350  2453.27  103.201  2375.59  101.458   50.205   1.0590   49.403   1.0579 0.8010559 1.496870 
1 1 1   15   38   11 o   14.472   1.9139  214.778   51.671  309.676   74.981  128.954   71.306   17.739   2.1775   11.204   3.1481 6.534803 3.827834 
1 1 1   15   38   12 o   9.1446   2.3277   68.076   54.056  101.261   77.610   36.810   75.333   10.212   3.3709   8.0769   3.2110 2.135406 4.655480 
1 1 1   15   38   13 o   50.523   0.7537  2488.73   73.916  2507.28  104.392  2470.09  104.676   50.713   1.0604   50.333   1.0713 0.3798103 1.507408 
1 1 1   15   38   14 o   21.461   1.3222  463.041   53.982  544.943   74.489  372.451   78.341   23.540   1.6301   19.382   2.0823 4.158634 2.644440 
1 1 1   15   38   15 o   7.3359   2.1233   4.0598   51.780 -52.1792   71.314   66.767   75.304   5.8132   2.6874   8.8586   3.2881 -3.045403 4.246593 
1 1 1   15   38   16 o   11.340   2.2262  136.053   50.821  153.722   74.221  120.457   69.732   11.992   3.1483   10.687   3.1484 1.305688 4.452419 
1 1 1   15   38   17 o   38.844   0.8525  1480.33   64.202  1489.41   93.251  1472.14   88.524   38.947   1.2334   38.740   1.1772 0.2065392 1.705004 
1 1 1   15   38   18 o   33.566   0.9637  1115.66   62.472  992.709   88.665  1236.86   88.034   31.691   1.4413   35.442   1.2796 -3.750917 1.927356 
1 1 1   15   38   19 o   11.561   2.3702  149.546   58.254  102.743   84.691  191.574   80.255   9.9718   3.5162   13.150   3.1791 -3.177746 4.740304 
1 1 1   15   38   20 o   13.673   2.3944  212.269   63.111  235.002   93.526  193.264   85.516   14.339   3.4099   13.007   3.3623 1.331943 4.788780 
1 1 1   15   39    0 o   62.702   0.9174  3862.90  100.092  3914.02  118.241  3733.63  188.011   63.469   0.9597   61.934   1.5638 1.534599 1.834824 
1 1 1   15   39    1 o   38.850   1.0381  1507.71   68.749  1553.20   80.620  1386.47  131.624   39.977   1.0389   37.722   1.7975 2.255127 2.076123 
1 1 1   15   39    2 o   90.822   0.8573  8020.81  151.132  7986.21  214.270  8055.07  213.200   90.626   1.2180   91.018   1.2067 -0.3913879 1.714527 
1 1 1   15   39    3 o   20.108   1.2513  391.615   48.645  420.146   72.906  368.721   65.307   20.762   1.8090   19.453   1.7294 1.308540 2.502643 
1 1 1   15   39    4 o   60.913   0.7104  3606.53   83.984  3592.07  119.989  3620.42  117.591   60.792   1.0168   61.034   0.9925 -0.2414055 1.420892 
1 1 1   15   39    5 o   70.733   0.7493  4863.02  102.859  4912.52  147.486  4816.15  143.523   71.082   1.0689   70.384   1.0505 0.6986694 1.498658 
1 1 1   15   39    6 o   24.515   1.1397  587.002   54.014  573.138   79.555  598.858   73.571   24.241   1.6907   24.790   1.5289 -0.5489979 2.279415 
1 1 1   15   39    7 o   73.094   0.7677  5194.69  108.897  5073.81  151.691  5323.23  156.425   72.218   1.0820   73.971   1.0894 -1.752571 1.535446 
1 1 1   15   39    8 o   46.176   0.7582  2073.78   67.950  2020.61   95.009  2129.47   97.222   45.570   1.0740   46.782   1.0706 -1.211819 1.516481 
1 1 1   15   39    9 o   19.224   1.4493  369.454   52.792  451.011   73.647  283.255   75.715   21.474   1.7667   16.974   2.2979 4.500595 2.898584 
1 1 1   15   39   10 f   43.673   0.7876  1854.53   66.710  1955.29   96.595  1762.65   92.239   44.805   1.1106   42.540   1.1170 2.265182 1.575161 
1 1 1   15   39   11 o   48.246   0.7448  2262.14   69.662  2366.26  101.776  2170.36   95.552   49.287   1.0638   47.206   1.0428 2.080879 1.489613 
1 1 1   15   39   12 o   56.074   0.7393  3063.78   80.462  3077.02  114.879  3051.03  112.733   56.191   1.0532   55.956   1.0379 0.2345734 1.478642 
1 1 1   15   39   13 o   10.173   2.1805  102.087   51.682   32.226   76.208  161.577   70.325   7.9296   3.2029   12.417   2.9596 -4.487105 4.360929 
1 1 1   15   39   14 o   13.210   2.1271  184.409   53.358  172.330   75.625  196.382   75.296   12.752   3.0880   13.668   2.9262 -0.9161959 4.254183 
1 1 1   15   39   15 o   7.5495   1.9906 -24.5292   50.292  117.761   75.940 -135.6847   67.120   10.629   3.3183   4.4704   2.1999 6.158163 3.981259 
1 1 1   15   39   16 o   14.018   2.0367  209.098   53.271  198.795   79.826  217.371   71.528   13.620   3.0902   14.415   2.6540 -0.7955542 4.073451 
1 1 1   15   39   17 o   32.077   1.0112  1013.43   62.898  1077.46   91.298  955.583   86.775   33.042   1.4234   31.112   1.4368 1.929705 2.022491 
1 1 1   15   39   18 o   17.944   1.6629  327.732   57.818  355.808   84.332  302.830   79.422   18.677   2.3261   17.212   2.3771 1.464928 3.325874 
1 1 1   15   39   19 o   22.496   1.4441  511.489   62.856  545.166   93.597  483.825   84.831   23.147   2.0831   21.845   2.0005 1.301878 2.888107 
1 1 1   15   40    0 f   31.738   1.2197  982.462   61.440  983.283   69.249  979.425  133.187   31.804   1.1217   31.672   2.1663 0.1313114 2.439472 
1 1 1   15   40    1 o   38.759   1.0951  1501.44   69.098  1535.72   79.112  1391.16  141.890   39.751   1.0253   37.767   1.9354 1.983112 2.190192 
1 1 1   15   40    2 o   26.940   1.4227  658.830   64.983  612.106   74.254  811.679  134.301   25.073   1.5256   28.806   2.4017 -3.733019 2.845304 
1 1 1   15   40    3 o   44.933   0.7243  1962.95   63.034  1955.95   92.165  1969.10   86.402   44.855   1.0585   45.010   0.9889 -0.1551285 1.448551 
1 1 1   15   40    4 o   16.278   2.1169  297.175   57.680  197.016  104.556  340.993   69.156   13.866   3.7805   18.690   1.9061 -4.824142 4.233839 
1 1 1   15   40    5 o   22.208   1.1848  486.486   50.492  426.875   73.991  538.442   69.077   20.910   1.8229   23.505   1.5139 -2.595512 2.369562 
1 1 1   15   40    6 o   39.789   0.7811  1537.13   60.268  1614.38   87.715  1468.05   82.949   40.733   1.1093   38.844   1.1001 1.889221 1.562297 
1 1 1   15   40    7 f   39.131   0.7895  1490.17   59.910  1492.20   86.707  1488.32   82.874   39.155   1.1408   39.108   1.0917 0.4632187E-01 1.578960 
1 1 1   15   40    8 o   47.218   0.8692  2194.08   77.520  2275.33   99.850  2070.81  122.994   48.352   1.0638   46.085   1.3749 2.266453 1.738383 
1 1 1   15   40    9 o   27.420   1.0111  735.181   53.718  775.744   75.305  693.154   76.652   28.197   1.3758   26.643   1.4821 1.554405 2.022239 
1 1 1   15   40   10 o   28.983   0.9546  821.304   53.612  775.889   76.474  865.195   75.181   28.188   1.3976   29.778   1.3006 -1.590168 1.909176 
1 1 1   15   40   11 o   39.554   0.8183  1529.09   62.674  1635.24   88.003  1419.84   89.280   40.958   1.1069   38.150   1.2056 2.808044 1.636613 
1 1 1   15   40   12 o   26.778   1.0691  710.255   54.926  636.748   81.308  771.953   74.492   25.466   1.6448   28.090   1.3661 -2.623596 2.138141 
1 1 1   15   40   13 o   10.342   2.3227  108.664   52.582  121.439   74.666   96.094   74.062   10.815   3.2750   9.8693   3.2946 0.9457798 4.645405 
1 1 1   15   40   14 o   6.3991   1.9933 -39.1899   52.528 -116.1414   76.723   28.705   72.067   5.1829   2.5057   7.6152   3.1006 -2.432305 3.986527 
1 1 1   15   40   15 o   15.242   1.8923  248.099   52.967  183.131   78.468  302.479   71.790   13.083   3.1314   17.401   2.1254 -4.317248 3.784529 
1 1 1   15   40   16 o   10.365   2.3911  111.021   55.564  131.537   80.692   92.522   76.624   11.075   3.4145   9.6551   3.3484 1.419503 4.782269 
1 1 1   15   40   17 o   9.8820   2.4367   98.619   57.545  109.799   82.047   87.795   80.731   10.255   3.4675   9.5093   3.4244 0.7454586 4.873383 
1 1 1   15   40   18 o   11.292   2.4015  140.671   57.195  162.777   82.761  120.459   79.134   12.058   3.3928   10.526   3.3997 1.532059 4.803024 
1 1 1   15   40   19 o   7.3098   2.2551   1.1508   60.588   24.678   88.010 -20.0431   83.533   7.8433   3.3274   6.7764   3.0446 1.066893 4.510154 
1 1 1   15   41    0 o   11.066   2.6653   95.361   57.646   81.043   64.364  153.407  129.594   9.2933   3.0699   12.839   4.3578 -3.545634 5.330530 
1 1 1   15   41    1 o   52.075   0.9742  2739.48   85.712  2852.88  100.359  2433.83  164.770   54.180   0.9542   49.971   1.6986 4.209034 1.948310 
1 1 1   15   41    2 o   48.140   0.9709  2280.31   79.764  2307.87   93.137  2204.48  154.497   48.726   0.9847   47.554   1.6737 1.171516 1.941830 
1 1 1   15   41    3 o   17.274   2.2068  306.897   61.686  313.702   71.075  286.123  124.181   17.915   2.0438   16.633   3.9118 1.281843 4.413519 
1 1 1   15   41    4 o   43.213   1.0199  1827.77   76.325  1837.99   89.737  1801.04  145.132   43.470   1.0634   42.955   1.7405 0.5154610 2.039707 
1 1 1   15   41    5 o   23.257   1.1014  528.439   49.613  512.547   71.951  542.844   68.503   22.918   1.6173   23.595   1.4956 -0.6767788 2.202849 
1 1 1   15   41    6 o   55.476   0.8300  3001.70   85.659  3015.77  106.982  2976.57  142.986   55.682   0.9898   55.270   1.3327 0.4114037 1.660042 
1 1 1   15   41    7 o   29.849   0.9308  866.961   53.791  887.524   79.363  849.487   73.160   30.172   1.3550   29.526   1.2765 0.6462326 1.861575 
1 1 1   15   41    8 o   11.788   2.1819  141.259   51.169  181.156   75.139  106.758   69.874   13.247   2.9926   10.329   3.1761 2.918084 4.363851 
1 1 1   15   41    9 o   26.788   1.0508  701.748   54.596  686.240   78.260  716.451   76.202   26.496   1.5216   27.081   1.4495 -0.5858307 2.101532 
1 1 1   15   41   10 o   19.271   1.3560  365.607   50.628  345.743   72.349  384.668   70.871   18.748   1.9880   19.793   1.8445 -1.045546 2.711916 
1 1 1   15   41   11 o   26.004   1.0743  662.320   54.216  641.445   76.194  683.728   77.160   25.587   1.5341   26.421   1.5044 -0.8346004 2.148657 
1 1 1   15   41   12 o   58.035   0.7221  3285.99   81.341  3353.65  115.210  3218.74  114.857   58.633   1.0122   57.437   1.0302 1.196583 1.444236 
1 1 1   15   41   13 o   12.051   2.2283  154.039   52.810  138.664   73.349  170.587   76.096   11.437   3.1857   12.664   3.1166 -1.226951 4.456614 
1 1 1   15   41   14 o   24.038   1.1612  571.328   53.891  559.535   80.007  581.122   72.914   23.788   1.7326   24.288   1.5465 -0.5000591 2.322428 
1 1 1   15   41   15 o   23.405   1.2445  542.285   56.464  566.755   82.555  520.778   77.397   23.894   1.7799   22.915   1.7399 0.9783115 2.489069 
1 1 1   15   41   16 o   12.284   2.2176  163.845   55.232  227.129   78.769  102.638   77.466   14.585   2.8843   9.9831   3.3693 4.602089 4.435275 
1 1 1   15   41   17 o   25.237   1.2132  634.657   59.399  657.074   85.830  614.053   82.287   25.661   1.7230   24.813   1.7084 0.8485565 2.426409 
1 1 1   15   41   18 o   14.630   2.0926  231.116   57.088  264.734   86.686  205.368   75.863   15.571   2.9763   13.689   2.9424 1.882040 4.185253 
1 1 1   15   42    0 o   31.137   1.1713  897.502   62.287  849.152   71.674  1046.68  125.897   29.540   1.2499   32.733   1.9814 -3.192703 2.342670 
1 1 1   15   42    1 o   39.581   1.0143  1574.62   70.207  1644.58   83.935  1411.67  128.105   41.124   1.0514   38.038   1.7350 3.086136 2.028691 
1 1 1   15   42    2 o   32.135   1.1219  983.926   62.319  957.509   72.618  1057.75  121.394   31.368   1.1926   32.902   1.9007 -1.534210 2.243870 
1 1 1   15   42    3 o   18.920   1.9116  386.249   57.928  419.025   68.158  300.982  109.933   20.718   1.6947   17.122   3.4271 3.596210 3.823223 
1 1 1   15   42    4 f   42.941   0.9535  1798.16   72.572  1800.43   86.551  1792.78  133.182   43.021   1.0364   42.862   1.6007 0.1588745 1.906937 
1 1 1   15   42    5 o   11.994   2.5173  151.663   60.991  171.004   71.518  100.082  116.791   12.901   2.9234   11.088   4.0990 1.813436 5.034645 
1 1 1   15   42    6 o   26.664   1.0145  694.554   52.239  683.501   77.604  703.712   70.640   26.462   1.5108   26.865   1.3545 -0.4032078 2.029076 
1 1 1   15   42    7 f   10.420   2.2159  109.746   48.528  117.595   66.007  100.512   71.591   10.726   3.0343   10.114   3.2302 0.6120453 4.431805 
1 1 1   15   42    8 o   16.263   1.5350  260.388   48.423  273.940   69.009  247.244   67.965   16.684   2.1308   15.842   2.2101 0.8420372 3.070003 
1 1 1   15   42    9 o   12.076   2.1449  150.694   50.259  169.154   73.306  134.319   69.041   12.763   3.0081   11.389   3.0582 1.373100 4.289707 
1 1 1   15   42   10 o   26.219   1.1042  674.072   56.155  650.570   79.973  696.931   78.869   25.762   1.5992   26.676   1.5231 -0.9143467 2.208416 
1 1 1   15   42   11 o   24.891   1.1355  605.606   54.558  637.177   82.385  580.946   72.812   25.454   1.6673   24.328   1.5418 1.126137 2.270919 
1 1 1   15   42   12 o   10.917   2.2889  122.778   53.427   84.586   74.751  162.661   76.389   9.4588   3.3057   12.376   3.1667 -2.916940 4.577705 
1 1 1   15   42   13 o   23.722   1.5529  598.004   64.431  471.407  112.250  660.208   78.683   21.560   2.6821   25.884   1.5660 -4.323759 3.105808 
1 1 1   15   42   14 o   8.5538   2.3067   57.988   53.378   46.036   78.412   68.311   72.869   8.2977   3.2831   8.8099   3.2411 -0.5121956 4.613397 
1 1 1   15   42   15 o   17.616   1.6884  314.588   57.668  318.584   83.819  310.997   79.465   17.706   2.4388   17.526   2.3357 0.1794853 3.376864 
1 1 1   15   42   16 o   22.889   1.3144  523.475   58.331  539.809   85.041  508.962   80.159   23.216   1.8870   22.563   1.8301 0.6523552 2.628759 
1 1 1   15   42   17 o   8.5708   2.2859   59.465   55.421   2.4348   84.867  101.869   73.180   7.3310   3.1901   9.8107   3.2749 -2.479692 4.571846 
1 1 1   15   42   18 o   12.275   2.2953  175.677   57.873  113.765   87.117  224.579   77.426   10.240   3.5692   14.310   2.8868 -4.070341 4.590511 
1 1 1   15   43    0 o   51.961   0.9538  2602.66   84.250  2573.98   97.602  2686.51  166.880   51.449   0.9773   52.473   1.6384 -1.023479 1.907684 
1 1 1   15   43    1 o   29.748   1.3362  870.621   65.812  875.706   75.586  854.687  133.808   29.986   1.2986   29.511   2.3358 0.4749680 2.672487 
1 1 1   15   43    2 o   57.119   0.9356  3143.00   92.552  3100.97  108.300  3256.80  178.222   56.466   0.9880   57.773   1.5892 -1.306957 1.871295 
1 1 1   15   43    3 o   86.488   1.0492  7195.29  161.008  7052.73  191.201  7542.82  298.529   85.118   1.1572   87.859   1.7504 -2.740921 2.098334 
1 1 1   15   43    4 o   20.369   1.7552  408.670   60.632  408.842   70.399  408.173  119.316   20.448   1.7736   20.289   3.0295 0.1594486 3.510494 
1 1 1   15   43    5 o   27.637   1.3258  778.982   64.677  829.821   78.339  670.137  114.626   29.168   1.3836   26.106   2.2619 3.062700 2.651535 
1 1 1   15   43    6 o   13.549   2.4497  191.646   62.000  196.096   75.293  182.272  109.272   13.804   2.9019   13.294   3.9476 0.5103941 4.899466 
1 1 1   15   43    7 o   28.838   1.2841  785.280   64.947  747.766   76.060  886.266  124.793   27.671   1.4160   30.005   2.1425 -2.334555 2.568180 
1 1 1   15   43    8 o   14.372   1.8038  210.934   48.068  283.951   69.377  143.523   66.661   16.978   2.1050   11.766   2.9299 5.212635 3.607665 
1 1 1   15   43    9 o   9.0993   2.2745   72.642   50.289   91.350   74.367   56.879   68.262   9.7738   3.3012   8.4249   3.1299 1.348934 4.549095 
1 1 1   15   43   10 f   39.719   0.7875  1544.21   60.426  1722.89   85.661  1367.24   85.251   42.025   1.0501   37.414   1.1738 4.611511 1.574960 
1 1 1   15   43   11 o   18.422   1.5041  335.730   53.232  406.592   78.127  274.328   72.726   20.255   1.9870   16.588   2.2586 3.667431 3.008206 
1 1 1   15   43   12 o   15.781   1.8888  262.660   54.491  172.881   76.776  353.791   77.352   12.727   3.1295   18.834   2.1158 -6.106335 3.777563 
1 1 1   15   43   13 o   10.392   2.1412   99.468   54.410   1.3938   76.833  198.123   77.061   7.1221   3.0671   13.663   2.9887 -6.540726 4.282478 
1 1 1   15   43   14 o   16.424   1.8413  279.319   57.115  252.499   81.341  305.402   80.217   15.475   2.8113   17.373   2.3786 -1.898176 3.682561 
1 1 1   15   43   15 o   21.627   1.4125  468.486   58.140  598.403   85.244  355.484   79.502   24.495   1.7928   18.758   2.1833 5.736601 2.825039 
1 1 1   15   43   16 o   5.8132   1.9188 -80.1781   54.218 -13.4283   81.232 -133.8050   72.810   6.8887   3.0545   4.7377   2.3233 2.150979 3.837667 
1 1 1   15   43   17 o   11.471   2.1469  148.284   57.877   22.396   87.461  246.357   77.196   7.8103   3.3154   15.132   2.7285 -7.321631 4.293777 
1 1 1   15   44    0 o   20.335   1.6681  410.934   57.388  416.028   66.746  396.492  112.384   20.641   1.6658   20.030   2.8905 0.6114902 3.336144 
1 1 1   15   44    1 o   36.892   1.2481  1327.63   89.274  1242.20  123.448  1421.29  129.257   35.647   1.7840   38.136   1.7460 -2.488850 2.496252 
1 1 1   15   44    2 o   22.389   1.6058  475.813   60.824  459.375   69.941  526.822  123.203   21.685   1.6615   23.093   2.7484 -1.408215 3.211572 
1 1 1   15   44    3 o   45.274   1.0084  2071.76   76.532  2149.31   89.172  1854.88  149.120   47.002   0.9773   43.547   1.7641 3.454998 2.016711 
1 1 1   15   44    4 o   46.772   0.9951  2181.89   79.102  2235.48   92.482  2035.81  152.681   47.928   0.9940   45.616   1.7243 2.312054 1.990274 
1 1 1   15   44    5 o   20.537   1.8166  433.511   61.547  449.827   71.252  385.560  122.150   21.436   1.7123   19.638   3.2043 1.798487 3.633172 
1 1 1   15   44    6 o   54.728   0.9101  2914.34   89.879  2900.89  108.558  2943.65  160.261   54.580   1.0246   54.876   1.5044 -0.2965088 1.820224 
1 1 1   15   44    7 o   27.188   1.2910  696.306   64.440  641.260   77.931  815.308  114.585   25.597   1.5684   28.778   2.0512 -3.180883 2.582075 
1 1 1   15   44    8 o   12.069   2.6052  123.839   62.152   85.287   72.822  227.230  119.259   9.5258   3.2665   14.611   4.0593 -5.085376 5.210377 
1 1 1   15   44    9 o   15.129   2.2063  286.290   60.597  367.792   73.273  109.918  107.788   19.299   1.9559   10.958   3.9554 8.340693 4.412559 
1 1 1   15   44   10 o   19.005   1.4420  364.742   52.170  304.452   76.984  415.943   70.945   17.478   2.2691   20.532   1.7800 -3.054651 2.883937 
1 1 1   15   44   11 o   24.994   1.1404  616.617   55.261  643.031   77.522  589.327   78.796   25.551   1.5630   24.438   1.6610 1.113268 2.280771 
1 1 1   15   44   12 o   15.089   1.9170  237.429   54.267  276.760   75.701  195.850   77.834   16.601   2.3491   13.578   3.0300 3.023241 3.833930 
1 1 1   15   44   13 o   12.818   2.1665  174.569   53.402  212.071   78.814  142.738   72.611   14.110   2.9713   11.526   3.1538 2.584482 4.333029 
1 1 1   15   44   14 o   21.807   1.3850  476.476   58.560  450.898   82.868  501.989   82.764   21.203   2.0134   22.411   1.9025 -1.207802 2.770051 
1 1 1   15   44   15 o   32.141   0.9962  1020.60   61.971  1127.23   88.911  919.849   86.423   33.795   1.3553   30.488   1.4603 3.307350 1.992312 
1 1 1   15   44   16 o   8.1951   2.3131   45.737   55.814   67.878   81.638   26.306   76.480   8.8351   3.3912   7.5550   3.1466 1.280097 4.626162 
1 1 1   15   44   17 o   22.614   1.3705  519.419   60.106  534.731   84.159  503.478   85.872   22.980   1.8866   22.248   1.9884 0.7327175 2.740966 
1 1 1   15   45    0 o   16.924   2.1076  250.597   58.529  217.065   66.154  371.411  125.571   14.858   2.2936   18.990   3.5366 -4.131338 4.215275 
1 1 1   15   45    1 o   30.891   1.2489  921.072   64.614  909.002   74.268  958.657  131.056   30.542   1.2527   31.241   2.1611 -0.6993942 2.497889 
1 1 1   15   45    2 o   45.840   0.9423  1993.28   75.602  1923.70   88.631  2179.15  144.857   44.456   1.0270   47.224   1.5802 -2.768032 1.884628 
1 1 1   15   45    3 o   37.506   1.0387  1335.36   68.627  1285.27   80.762  1465.49  130.172   36.321   1.1455   38.691   1.7332 -2.369453 2.077494 
1 1 1   15   45    4 f   31.630   1.1427  953.722   64.888  915.255   77.417  1044.56  118.966   30.629   1.3021   32.630   1.8782 -2.001427 2.285391 
1 1 1   15   45    5 o   33.496   1.1549  1109.16   64.828  1120.14   74.974  1076.62  129.057   33.901   1.1393   33.090   2.0092 0.8104477 2.309707 
1 1 1   15   45    6 o   25.046   1.5310  638.867   62.646  657.581   72.029  580.744  126.939   25.937   1.4306   24.155   2.7072 1.781885 3.061991 
1 1 1   15   45    7 o   25.160   1.3874  630.419   62.328  641.545   75.115  605.828  111.674   25.596   1.5118   24.724   2.3269 0.8720131 2.774879 
1 1 1   15   45    8 o   46.375   0.9464  2109.96   80.127  2120.80   98.074  2088.21  138.957   46.620   1.0837   46.131   1.5518 0.4889412 1.892733 
1 1 1   15   45    9 o   18.062   2.1802  364.361   63.696  395.849   74.885  281.976  121.130   20.003   1.9286   16.121   3.9108 3.882647 4.360455 
1 1 1   15   45   10 o   33.469   1.2088  1134.46   72.091  1182.77   87.380  1031.50  127.574   34.735   1.2959   32.203   2.0408 2.532440 2.417511 
1 1 1   15   45   11 o   10.794   2.4198  124.114   65.755  186.901   78.589 -22.4306  120.064   13.238   3.1109   8.3494   3.7073 4.888533 4.839603 
1 1 1   15   45   12 o   24.684   1.1970  609.695   56.673  521.309   81.997  690.535   78.419   22.908   1.8440   26.461   1.5267 -3.553032 2.393955 
1 1 1   15   45   13 o   26.304   1.1425  688.342   57.956  656.023   85.774  715.492   78.616   25.698   1.7194   26.910   1.5050 -1.211792 2.285043 
1 1 1   15   45   14 o   28.377   1.0889  799.511   59.778  777.575   87.489  818.720   81.870   27.984   1.6106   28.770   1.4659 -0.7864399 2.177813 
1 1 1   15   45   15 f   22.305   1.3713  500.447   59.216  551.721   85.214  452.565   82.347   23.436   1.8731   21.175   2.0034 2.261600 2.742633 
1 1 1   15   45   16 o   12.117   2.4354  166.877   60.214  188.811   86.778  146.509   83.622   12.865   3.4171   11.370   3.4709 1.494714 4.870706 
1 1 1   15   46    0 o   9.4084   2.5515   55.744   55.757   46.013   62.909   91.389  120.401   7.9127   2.9912   10.904   4.1343 -2.991445 5.102947 
1 1 1   15   46    1 o   38.033   1.1018  1413.99   68.929  1413.98   78.817  1414.00  142.142   38.105   1.0656   37.961   1.9290 0.1438637 2.203693 
1 1 1   15   46    2 o   42.994   1.0479  1827.48   75.754  1849.53   87.791  1763.18  149.893   43.581   1.0377   42.407   1.8209 1.174431 2.095831 
1 1 1   15   46    3 o   8.3620   2.4962   16.015   61.589   14.079   71.160   21.792  122.949   7.2916   3.0359   9.4325   3.9633 -2.140913 4.992445 
1 1 1   15   46    4 o   56.534   0.9253  3142.15   93.061  3176.47  111.577  3063.70  168.683   57.111   1.0064   55.957   1.5529 1.153687 1.850547 
1 1 1   15   46    5 f   24.500   1.5078  530.960   64.334  463.784   74.082  737.017  129.747   21.739   1.7556   27.261   2.4518 -5.522736 3.015509 
1 1 1   15   46    6 o   25.692   1.4024  664.646   60.395  679.141   70.113  622.956  118.904   26.352   1.3706   25.032   2.4470 1.320229 2.804753 
1 1 1   15   46    7 o   41.165   1.0572  1719.87   73.845  1787.72   86.660  1539.99  141.103   42.809   1.0428   39.521   1.8392 3.287151 2.114322 
1 1 1   15   46    8 o   6.7036   2.1564 -57.0997   56.384 -84.4771   67.540   5.8558  102.419   5.1264   2.4446   8.2807   3.5532 -3.154284 4.312869 
1 1 1   15   46    9 o   13.826   2.4065  218.722   64.194  254.335   77.157  138.626  115.712   15.895   2.5006   11.756   4.1126 4.139708 4.813095 
1 1 1   15   46   10 o   7.2391   2.3101 -30.6305   64.650 -24.3698   78.176 -44.1755  114.988   6.6493   2.9694   7.8289   3.5397 -1.179626 4.620217 
1 1 1   15   46   11 o   26.883   1.3977  698.877   68.695  659.823   83.104  783.132  122.064   25.835   1.6571   27.931   2.2513 -2.096315 2.795440 
1 1 1   15   46   12 o   15.666   2.3268  282.688   66.238  326.142   81.875  200.374  112.688   17.952   2.3495   13.380   4.0170 4.572532 4.653600 
1 1 1   15   46   13 o   11.417   2.7070  137.174   68.254  129.380   84.261  152.049  116.398   10.958   3.5048   11.876   4.1264 -0.9176016 5.413977 
1 1 1   15   46   14 o   7.6283   2.3233  -6.5829   67.842   57.996   82.224 -144.2951  120.072   8.6141   3.3766   6.6425   3.1920 1.971629 4.646536 
1 1 1   15   46   15 o   6.9409   2.1551 -13.7205   57.126   29.165   83.029 -52.2698   78.720   7.8306   3.2714   6.0512   2.8066 1.779464 4.310300 
1 1 1   15   46   16 o   19.185   1.6798  381.934   62.508  381.258   90.071  382.562   86.819   19.143   2.4239   19.227   2.3262 -0.8372307E-01 3.359505 
1 1 1   15   47    0 f   17.402   2.1077  346.508   55.379  378.613   63.293  241.666  114.376   19.665   1.6581   15.139   3.8755 4.525986 4.215312 
1 1 1   15   47    1 o   37.811   1.0457  1417.73   66.854  1439.56   77.767  1355.90  130.869   38.444   1.0421   37.177   1.8134 1.266663 2.091489 
1 1 1   15   47    2 o   6.6388   2.1524 -49.4520   56.455 -53.5561   66.885 -39.2829  105.282   5.6098   2.5966   7.6679   3.4335 -2.058141 4.304802 
1 1 1   15   47    3 o   8.9054   2.4986   50.537   59.435   59.428   69.027   25.051  116.873   8.5437   3.1527   9.2671   3.8772 -0.7233620 4.997197 
1 1 1   15   47    4 o   46.354   1.1538  2106.16  103.599  2094.52  141.807  2119.49  151.716   46.231   1.5801   46.477   1.6816 -0.2453232 2.307537 
1 1 1   15   47    5 o   7.6716   2.3795 -10.7305   61.498 -14.8754   72.491  -0.0868  116.163   6.6308   2.9151   8.7124   3.7616 -2.081612 4.758956 
1 1 1   15   47    6 o   21.733   1.6605  459.592   61.168  448.177   70.614  493.900  122.420   21.339   1.7047   22.127   2.8501 -0.7879810 3.321063 
1 1 1   15   47    7 o   26.831   1.4002  733.483   65.043  760.749   77.210  666.836  120.712   27.846   1.4284   25.816   2.4088 2.029984 2.800481 
1 1 1   15   47    8 o   11.634   2.5768  105.199   60.222   60.116   69.495  241.113  120.665   8.4818   3.1567   14.786   4.0738 -6.304320 5.153648 
1 1 1   15   47    9 o   20.216   1.6123  388.174   61.129  331.768   75.463  495.826  104.252   18.232   2.1322   22.201   2.4191 -3.968904 3.224652 
1 1 1   15   47   10 o   41.466   1.0594  1671.43   75.509  1645.92   87.984  1742.72  147.104   41.013   1.1051   41.919   1.8078 -0.9057198 2.118827 
1 1 1   15   47   11 o   20.894   1.9345  500.742   64.646  570.822   77.790  344.310  116.223   23.999   1.6698   17.790   3.4902 6.208590 3.869053 
1 1 1   15   47   12 o   12.130   2.6583  157.429   65.638  148.390   79.236  177.197  117.176   11.650   3.3345   12.610   4.1410 -0.9609318 5.316679 
1 1 1   15   47   13 f   12.176   2.6001  154.326   65.074  118.504   81.086  219.149  109.076   10.519   3.4443   13.834   3.8960 -3.315001 5.200195 
1 1 1   15   47   14 f   26.118   1.4643  660.213   70.213  599.975   84.826  791.289  125.129   24.457   1.7868   27.779   2.3204 -3.322634 2.928644 
1 1 1   15   47   15 o   9.9346   2.4621  103.660   67.694  162.649   79.990 -45.1904  127.065   11.958   3.3253   7.9113   3.6318 4.046595 4.924225 
1 1 1   15   48    0 o   8.2397   2.3436 -79.7133   54.713 -138.1472   61.334  147.945  121.064   4.1585   2.0570   12.321   4.2118 -8.162592 4.687227 
1 1 1   15   48    1 o   23.887   1.5597  556.801   60.108  551.264   68.050  576.455  128.204   23.737   1.4769   24.037   2.7476 -0.3006496 3.119374 
1 1 1   15   48    2 o   41.114   1.0313  1639.52   71.882  1624.04   83.208  1685.06  142.706   40.817   1.0502   41.411   1.7752 -0.5942116 2.062605 
1 1 1   15   48    3 o   35.928   1.0589  1264.12   67.681  1263.09   80.920  1266.53  123.474   35.972   1.1589   35.884   1.7726 0.8738708E-01 2.117776 
1 1 1   15   48    4 o   15.293   2.2163  236.057   60.653  217.316   73.967  274.525  105.970   14.498   2.7284   16.088   3.4934 -1.590082 4.432545 
1 1 1   15   48    5 o   45.957   0.9944  2097.62   79.428  2133.20   93.906  2008.19  148.889   46.755   1.0347   45.159   1.6985 1.596031 1.988798 
1 1 1   15   48    6 o   22.932   1.7400  584.193   64.688  649.498   76.204  415.783  122.375   25.703   1.5273   20.160   3.1270 5.543303 3.480092 
1 1 1   15   48    7 o   29.369   1.3526  849.391   69.002  841.367   81.055  870.514  131.510   29.261   1.4270   29.477   2.2983 -0.2156849 2.705280 
1 1 1   15   48    8 f   12.182   2.5866  159.976   62.253  167.313   72.548  139.487  121.231   12.543   3.0166   11.822   4.2027 0.7212629 5.173288 
1 1 1   15   48    9 o   14.025   2.5398  212.209   65.984  209.733   79.484  217.699  118.349   14.046   3.0060   14.005   4.0947 0.4068089E-01 5.079628 
1 1 1   15   48   10 o   21.648   1.8594  527.653   66.422  607.088   81.430  369.715  114.822   24.744   1.6953   18.552   3.3098 6.191895 3.718757 
1 1 1   15   48   11 o   11.771   2.6094  149.563   62.978  149.872   74.951  148.821  116.152   11.730   3.2020   11.811   4.1210 -0.8150864E-01 5.218770 
1 1 1   15   48   12 o   16.080   2.2826  266.767   64.225  248.609   75.998  312.141  120.134   15.561   2.5160   16.598   3.8092 -1.037663 4.565110 
1 1 1   15   48   13 o   10.005   2.4035   52.163   60.915 -25.7157   73.923  216.924  107.522   6.3156   2.8484   13.694   3.8721 -7.378923 4.806925 
1 1 1   15   48   14 f   11.114   2.5245  146.072   68.908  198.995   82.567   24.617  125.082   13.295   3.2310   8.9329   3.8800 4.362053 5.049093 
1 1 1   15   49    0 f   25.545   1.2994  611.213   56.865  578.541   65.581  710.206  114.153   24.315   1.3895   26.776   2.1962 -2.461620 2.598819 
1 1 1   15   49    1 o   34.025   1.0734  1129.11   63.216  1121.67   74.100  1148.98  121.171   33.899   1.1261   34.152   1.8278 -0.2530289 2.146801 
1 1 1   15   49    2 o   20.152   1.7514  376.532   59.845  348.564   68.406  467.757  123.544   18.794   1.8750   21.510   2.9588 -2.715935 3.502835 
1 1 1   15   49    3 o   21.570   1.7742  488.288   61.679  508.982   70.868  423.650  125.248   22.753   1.6045   20.386   3.1650 2.367218 3.548459 
1 1 1   15   49    4 o   38.019   1.0705  1426.84   70.723  1435.40   83.374  1404.86  133.543   38.328   1.1206   37.711   1.8243 0.6170883 2.140964 
1 1 1   15   49    5 o   19.497   1.7607  391.520   61.014  407.388   73.866  357.443  108.248   20.281   1.8763   18.713   2.9800 1.567776 3.521482 
1 1 1   15   49    6 o   32.901   1.1896  1058.70   68.380  1045.31   80.538  1093.28  129.431   32.654   1.2706   33.148   2.0115 -0.4940948 2.379144 
1 1 1   15   49    7 o   13.987   2.4642  223.418   65.807  253.146   78.210  151.346  121.776   15.832   2.5449   12.143   4.2206 3.689006 4.928473 
1 1 1   15   49    8 o   8.3121   2.3935  -6.3906   62.722 -68.2873   77.561  110.581  106.623   5.8500   2.7373   10.774   3.9270 -4.924283 4.786910 
1 1 1   15   49    9 o   14.249   2.5496  216.133   65.874  205.169   78.162  243.013  122.385   13.845   2.9953   14.653   4.1268 -0.8084021 5.099295 
1 1 1   15   49   10 o   8.7620   2.4392   48.078   66.715  103.155   80.609 -71.6885  118.868   10.043   3.4367   7.4806   3.4622 2.562672 4.878321 
1 1 1   15   49   11 o   14.239   2.4235  248.518   67.230  298.681   80.500  132.864  122.232   17.093   2.4261   11.384   4.1962 5.709326 4.847082 
1 1 1   15   49   12 f   21.709   1.7099  514.617   66.441  598.423   84.508  378.963  107.517   24.447   1.7807   18.971   2.9196 5.476707 3.419835 
1 1 1   15   49   13 o   10.607   2.6173  124.193   70.632  166.303   85.536   33.929  125.231   12.088   3.4659   9.1258   3.9227 2.962172 5.234526 
1 1 1   15   50    0 o   8.5187   2.4803   1.7232   54.688 -23.6437   60.839  108.493  124.816   5.8254   2.6092   11.212   4.2190 -5.386567 4.960643 
1 1 1   15   50    1 o   20.265   1.7621  387.001   59.283  365.738   67.320  460.450  125.118   19.250   1.8015   21.279   3.0290 -2.029232 3.524212 
1 1 1   15   50    2 o   8.0243   2.3728   24.692   55.795   28.239   64.641   14.329  110.494   7.3300   2.9537   8.7186   3.7144 -1.388604 4.745626 
1 1 1   15   50    3 o   8.6214   2.4229   39.627   55.117   24.142   64.617   80.980  105.596   7.1981   2.9340   10.045   3.8566 -2.846580 4.845733 
1 1 1   15   50    4 o   5.3926   1.8872 -149.4400   59.633 -126.8473   68.234 -222.5003  122.703   4.6243   2.2638   6.1609   3.0202 -1.536625 3.774488 
1 1 1   15   50    5 o   31.809   1.2308  983.110   68.140  961.595   79.888  1040.56  130.537   31.308   1.3145   32.310   2.0813 -1.001734 2.461667 
1 1 1   15   50    6 o   10.383   2.6141   53.974   64.788  -2.1845   75.615  209.047  125.652   6.9908   3.0265   13.775   4.2631 -6.784085 5.228183 
1 1 1   15   50    7 o   15.941   2.3879  273.696   67.023  278.464   79.804  262.281  123.473   16.587   2.4785   15.296   4.0824 1.291814 4.775846 
1 1 1   15   50    8 o   9.3171   2.3705   69.936   65.171  140.570   78.045 -92.7817  118.454   11.406   3.3224   7.2279   3.3823 4.178335 4.741095 
1 1 1   15   50    9 o   11.383   2.7066  134.914   68.070  125.871   83.835  152.409  116.611   10.852   3.4986   11.915   4.1307 -1.063140 5.413267 
1 1 1   15   50   10 f   12.999   2.6316  197.773   70.335  225.830   86.381  142.579  121.158   14.375   3.1800   11.624   4.1938 2.750937 5.263124 
1 1 1   15   50   11 o   7.9165   2.4358   8.5841   68.244   27.478   83.511 -29.3977  118.404   7.8537   3.2809   7.9793   3.6012 -0.1256366 4.871688 
1 1 1   15   50   12 o   18.328   2.2085  376.828   70.867  402.021   87.485  328.747  120.858   19.792   2.2771   16.865   3.7847 2.926765 4.416927 
1 1 1   15   50   13 o   19.325   2.3306  438.496   77.360  488.395   95.423  342.816  132.136   21.764   2.2586   16.885   4.0774 4.879005 4.661204 
1 1 1   15   51    0 o   13.975   2.2624  209.200   55.707  216.300   65.179  189.958  107.303   14.706   2.2832   13.244   3.9066 1.462389 4.524827 
1 1 1   15   51    1 o   14.266   2.3334  235.135   57.766  258.036   66.267  162.662  117.886   16.088   2.1219   12.444   4.1566 3.644070 4.666876 
1 1 1   15   51    2 o   22.353   1.6454  456.924   59.340  424.728   66.371  585.198  132.478   20.745   1.6482   23.960   2.8483 -3.214966 3.290818 
1 1 1   15   51    3 o   40.626   1.0530  1650.05   74.727  1685.85   88.770  1562.98  138.442   41.520   1.1014   39.732   1.7950 1.787804 2.105953 
1 1 1   15   51    4 o   39.916   1.0132  1569.44   72.974  1574.72   88.348  1558.11  129.455   40.117   1.1345   39.715   1.6792 0.4017563 2.026498 
1 1 1   15   51    5 o   11.489   2.5749  141.579   61.068  151.955   70.778  111.354  120.796   11.926   3.0463   11.051   4.1521 0.8749895 5.149751 
1 1 1   15   51    6 o   17.494   2.2633  357.943   64.263  397.664   75.535  253.847  122.279   19.969   1.9486   15.019   4.0857 4.950055 4.526565 
1 1 1   15   51    7 o   29.874   1.2368  896.375   68.104  918.783   84.712  855.424  114.518   30.524   1.4297   29.224   2.0187 1.299303 2.473659 
1 1 1   15   51    8 o   22.293   1.6961  443.841   68.367  341.478   80.730  703.398  128.552   18.363   2.2648   26.222   2.5255 -7.859541 3.392243 
1 1 1   15   51    9 o   8.4041   2.4438   38.612   64.765   68.634   79.047 -22.6979  112.962   8.8657   3.3527   7.9425   3.5565 0.9231739 4.887657 
1 1 1   15   51   10 o   10.907   2.7549  105.938   68.430   73.119   80.830  188.980  128.574   9.0032   3.3937   12.811   4.3406 -3.807575 5.509853 
1 1 1   15   51   11 o   6.9802   2.2076 -53.2797   69.806   39.901   83.932 -262.3689  125.727   8.1216   3.3309   5.8387   2.8981 2.282852 4.415168 
1 1 1   15   51   12 o   10.608   2.7218  123.677   72.615  146.878   87.074   70.697  131.582   11.337   3.5555   9.8798   4.1221 1.457295 5.443597 
1 1 1   15   52    0 o   13.969   2.2573  261.410   57.775  314.349   65.113   65.450  125.275   17.801   1.8844   10.138   4.1025 7.662739 4.514545 
1 1 1   15   52    1 o   22.531   1.6135  540.300   59.861  574.541   69.854  445.649  116.141   24.163   1.4893   20.899   2.8629 3.264223 3.227054 
1 1 1   15   52    2 f   13.241   2.3825  163.807   57.416  123.567   67.644  267.517  108.594   10.806   3.0768   15.677   3.6386 -4.870213 4.765078 
1 1 1   15   52    3 o   11.343   2.6056  132.556   59.979  134.895   68.608  124.972  123.534   11.250   3.0604   11.436   4.2180 -0.1853943 5.211278 
1 1 1   15   52    4 o   20.274   1.8246  430.542   60.475  443.150   69.703  392.155  121.624   21.152   1.6976   19.395   3.2304 1.757242 3.649295 
1 1 1   15   52    5 o   13.753   2.4557  219.375   62.446  241.211   71.907  152.388  125.943   15.431   2.4006   12.075   4.2846 3.355795 4.911319 
1 1 1   15   52    6 o   27.421   1.4594  745.649   71.128  731.825   84.731  778.638  130.887   27.176   1.6062   27.665   2.4372 -0.4888954 2.918892 
1 1 1   15   52    7 o   10.292   2.5912   66.330   63.028   14.922   73.952  202.805  120.493   7.2446   3.0605   13.340   4.1823 -6.094980 5.182461 
1 1 1   15   52    8 o   20.675   1.8079  449.686   64.210  463.069   75.921  416.066  120.335   21.518   1.8176   19.832   3.1258 1.686028 3.615854 
1 1 1   15   52    9 o   11.373   2.6971  109.042   65.309   63.814   76.001  236.722  127.696   8.6041   3.2793   14.143   4.2829 -5.538604 5.394155 
1 1 1   15   52   10 o   17.863   2.2903  393.776   66.643  451.164   79.208  254.705  123.304   21.132   1.9310   14.594   4.1536 6.537678 4.580506 
1 1 1   15   52   11 o   13.134   2.6393  157.976   67.492   92.097   78.823  338.996  130.659   9.4458   3.3856   16.822   4.0499 -7.375867 5.278649 
1 1 1   15   53    0 o   9.3508   2.2651   86.201   55.901  132.135   64.249 -56.9125  113.408   11.146   2.9306   7.5554   3.4546 3.590767 4.530232 
1 1 1   15   53    1 o   18.060   2.0751  306.906   59.171  281.610   66.361  405.026  130.697   16.793   2.0357   19.327   3.6167 -2.533527 4.150256 
1 1 1   15   53    2 o   8.6456   2.3750   55.739   59.171   92.606   67.625 -64.6845  122.221   9.5443   3.1464   7.7470   3.5584 1.797293 4.749985 
1 1 1   15   53    3 o   27.986   1.3013  783.715   63.758  789.261   75.609  770.065  118.617   28.313   1.3757   27.658   2.2093 0.6548424 2.602604 
1 1 1   15   53    4 o   41.002   1.0491  1629.11   75.258  1589.18   88.470  1733.68  143.154   40.258   1.1321   41.746   1.7665 -1.487560 2.098165 
1 1 1   15   53    5 o   17.252   2.2483  311.614   64.261  304.734   74.405  331.813  127.488   17.366   2.2071   17.138   3.9176 0.2285843 4.496586 
1 1 1   15   53    6 o   19.518   2.2295  465.363   65.909  523.966   76.667  299.401  129.020   22.934   1.7221   16.102   4.1130 6.832499 4.458945 
1 1 1   15   53    7 o   9.1602   2.5855   15.214   63.690 -31.1661   73.140  160.715  129.546   6.1960   2.8102   12.125   4.3409 -5.928534 5.171090 
1 1 1   15   53    8 o   31.028   1.3036  1027.99   69.684  1122.29   83.990  819.701  124.823   33.725   1.2830   28.331   2.2697 5.393116 2.607172 
1 1 1   15   53    9 f   16.402   2.4180  304.392   67.293  310.486   78.450  287.422  130.914   17.370   2.3266   15.433   4.2396 1.936844 4.836040 
1 1 1   15   53   10 o   10.890   2.5022  140.564   64.882  179.519   76.827   43.680  121.158   12.635   3.1448   9.1455   3.8928 3.489126 5.004359 
1 1 1   15   54    0 o   19.141   2.1599  423.531   59.775  450.578   67.374  323.514  129.561   21.330   1.6272   16.952   4.0015 4.377785 4.319710 
1 1 1   15   54    1 o   21.810   1.5855  454.546   61.063  421.362   71.580  543.239  117.024   20.577   1.7921   23.043   2.6161 -2.466944 3.171079 
1 1 1   15   54    2 o   17.797   1.9951  291.764   62.156  250.297   71.754  416.406  124.402   15.708   2.3533   19.887   3.2225 -4.179537 3.990267 
1 1 1   15   54    3 o   14.284   2.4243  257.583   65.332  303.312   75.437  120.364  130.677   17.313   2.2447   11.256   4.2976 6.056886 4.848526 
1 1 1   15   54    4 o   8.6165   2.4673   49.531   62.068   64.786   74.291   14.268  112.949   8.6410   3.2543   8.5920   3.7094 0.4899502E-01 4.934595 
1 1 1   15   54    5 o   7.3303   2.3064 -11.7156   63.918   15.383   75.912 -77.7266  118.480   7.3131   3.0957   7.3474   3.4197 -0.3437901E-01 4.612776 
1 1 1   15   54    6 o   9.3294   2.6481   57.338   66.962   39.934   79.002  101.745  126.195   8.0217   3.2537   10.637   4.1789 -2.615335 5.296208 
1 1 1   15   54    7 o   23.974   1.6054  612.527   67.824  656.629   82.528  520.762  119.045   25.646   1.6578   22.302   2.7498 3.343752 3.210860 
1 1 1   15   54    8 o   7.7045   2.4262  -2.0420   68.102   14.614   79.611 -47.4834  131.494   7.3556   3.1438   8.0535   3.6962 -0.6978965 4.852300 
1 1 1   15   54    9 o   20.644   1.9592  474.927   69.599  515.640   85.815  396.674  118.972   22.526   1.9625   18.761   3.3916 3.765224 3.918490 
1 1 1   15   55    0 o   26.918   1.4962  776.411   63.278  815.521   72.226  647.255  131.254   28.782   1.2927   25.055   2.6987 3.726660 2.992334 
1 1 1   15   55    1 o   23.008   1.6389  466.125   63.317  404.154   71.436  693.214  136.748   20.114   1.8296   25.902   2.7198 -5.787516 3.277866 
1 1 1   15   55    2 o   8.4105   2.4849   24.201   61.471   5.5870   72.251   72.994  116.976   6.9398   2.9812   9.8812   3.9763 -2.941421 4.969763 
1 1 1   15   55    3 o   17.226   2.0977  282.354   64.001  234.588   75.197  407.909  121.915   14.862   2.7061   19.590   3.2059 -4.728074 4.195330 
1 1 1   15   55    4 o   33.295   1.2861  1118.35   72.980  1127.95   85.236  1091.98  141.260   33.816   1.2985   32.773   2.2205 1.043751 2.572248 
1 1 1   15   55    5 o   15.972   2.3238  285.011   66.308  296.575   80.650  260.888  116.486   16.971   2.4481   14.972   3.9506 1.999217 4.647633 
1 1 1   15   55    6 o   7.3357   2.3727 -34.9823   68.706 -39.2836   81.576 -24.4850  127.440   6.3932   2.9257   8.2782   3.7361 -1.884911 4.745352 
1 1 1   15   55    7 o   7.5627   2.3172  -9.2305   69.297   61.213   82.542 -177.4293  127.547   8.6043   3.3799   6.5212   3.1709 2.083092 4.634483 
1 1 1   15   55    8 o   6.4272   2.1711 -92.0095   70.387 -70.2272   83.760 -144.3599  129.851   5.9753   2.8114   6.8790   3.3092 -0.9037399 4.342187 
1 1 1   15   56    0 o   21.190   1.8062  464.403   60.589  466.322   68.527  457.530  129.699   21.652   1.6304   20.727   3.2235 0.9242287 3.612368 
1 1 1   15   56    1 o   11.828   2.5607  128.776   59.951   88.292   70.189  237.985  115.281   9.3162   3.2062   14.340   3.9936 -5.023379 5.121381 
1 1 1   15   56    2 o   9.9524   2.6185   96.528   63.396  106.243   73.052   66.893  127.588   9.9891   3.2692   9.9157   4.0914 0.7337761E-01 5.237075 
1 1 1   15   56    3 o   11.687   2.7168  139.759   65.120  120.396   76.087  192.780  125.907   10.506   3.3274   12.868   4.2957 -2.361628 5.433627 
1 1 1   15   56    4 o   11.725   2.6701  155.169   66.834  158.460   80.951  148.124  118.448   11.873   3.3608   11.576   4.1501 0.2961502 5.340235 
1 1 1   15   56    5 f   17.788   2.4461  383.389   72.943  422.248   86.343  286.528  136.320   20.305   2.1906   15.272   4.3744 5.032894 4.892282 
1 1 1   15   56    6 o   9.8542   2.7164   91.262   70.038   96.681   81.614   76.120  136.426   9.6311   3.4457   10.077   4.2003 -0.4462471 5.432803 
1 1 1   15   57    0 o   21.624   1.8724  505.263   62.904  520.332   71.250  452.004  133.947   22.849   1.6064   20.398   3.3828 2.450327 3.744808 
1 1 1   15   57    1 o   10.419   2.5530  120.653   62.872  145.092   71.457   36.889  132.292   11.439   3.1280   9.3985   4.0356 2.040847 5.105986 
1 1 1   15   57    2 o   10.107   2.3889  107.271   64.866  174.378   79.430 -27.0902  112.393   12.463   3.2497   7.7506   3.5023 4.712295 4.777741 
1 1 1   15   57    3 o   10.949   2.5591  140.918   69.763  188.918   81.669   11.344  134.182   12.942   3.2542   8.9555   3.9505 3.986464 5.118207 
1 1 1   15   57    4 o   14.006   2.6645  239.675   72.510  259.859   86.958  193.618  131.359   15.336   3.0285   12.676   4.3848 2.659986 5.328960 
1 1 1   15   58    0 o   11.059   2.6134  135.513   61.954  136.623   72.484  132.504  119.358   11.039   3.1979   11.079   4.1342 -0.4027176E-01 5.226704 
1 1 1   15   58    1 o   13.856   2.4517  245.681   65.427  282.694   75.400  132.868  131.637   16.525   2.3506   11.187   4.3034 5.337418 4.903481 
1 1 1   15   58    2 o   13.661   2.6460  155.671   71.742   67.865   83.226  409.606  141.533   8.7857   3.4099   18.537   4.0469 -9.750966 5.291943 
1 1 1   16    0    0 f  175.886   1.7170 30066.03  585.425 30133.63  846.901 30004.16  810.153  176.070   2.4790  175.702   2.3763 -0.000000 0.000000 
1 1 1   16    0    1 o   75.084   0.9780  5468.05  142.229  5677.76  207.978  5283.81  194.939   76.434   1.4028   73.734   1.3630 -0.000000 0.000000 
1 1 1   16    0    2 o   32.971   0.9890  1065.66   62.711  1006.36   91.826  1117.48   85.849   32.092   1.4812   33.851   1.3110 -0.000000 0.000000 
1 1 1   16    0    3 o   91.091   1.0723  8070.64  189.153  8188.50  260.929  7940.12  274.601   91.797   1.4651   90.386   1.5661 -0.000000 0.000000 
1 1 1   16    0    4 o  102.435   1.1689 10207.29  231.540 10318.07  315.934 10078.74  340.319  103.043   1.5803  101.828   1.7228 -0.000000 0.000000 
1 1 1   16    0    5 o   36.167   0.9651  1275.76   67.512  1284.16   94.301  1266.92   96.696   36.293   1.3427   36.042   1.3867 -0.000000 0.000000 
1 1 1   16    0    6 o   43.871   0.8860  1872.40   75.291  1911.64  107.990  1835.29  105.027   44.318   1.2576   43.423   1.2483 -0.000000 0.000000 
1 1 1   16    0    7 o   78.705   0.9942  6020.45  151.549  6012.58  208.538  6029.27  220.616   78.653   1.3668   78.756   1.4442 -0.000000 0.000000 
1 1 1   16    0    8 o   57.112   0.9143  3165.79  100.984  3090.05  137.265  3255.16  149.093   56.371   1.2558   57.853   1.3292 -0.000000 0.000000 
1 1 1   16    0    9 o   67.168   0.9955  4388.20  129.605  4552.20  183.586  4225.26  182.993   68.423   1.3835   65.913   1.4317 -0.000000 0.000000 
1 1 1   16    0   10 o  129.085   1.5381 16191.90  382.702 16048.88  511.972 16373.01  576.137  128.456   2.0544  129.715   2.2897 -0.000000 0.000000 
1 1 1   16    0   11 o   20.488   2.0137  414.281   73.872  348.853   93.481  523.077  120.545   18.316   2.8304   22.661   2.8650 -0.000000 0.000000 
1 1 1   16    0   12 o   10.550   2.9509  161.218   63.551  189.932   75.264   89.897  118.618   12.735   3.5202   8.3645   4.7372 -0.000000 0.000000 
1 1 1   16    0   13 o   13.614   2.7241  183.653   72.581   65.262   88.428  428.101  127.064   7.1720   4.0788   20.056   3.6120 -0.000000 0.000000 
1 1 1   16    0   14 o   14.717   3.1001  245.442   76.992  182.463   96.682  354.612  127.291   11.720   4.4958   17.713   4.2696 -0.000000 0.000000 
1 1 1   16    0   15 o  137.596   1.7320 18452.49  462.193 18346.27  646.095 18563.82  661.455  137.195   2.4277  137.997   2.4710 -0.000000 0.000000 
1 1 1   16    0   16 o   50.066   1.1461  2482.96  108.795  2678.46  143.757  2220.89  166.442   52.445   1.4144   47.688   1.8039 -0.000000 0.000000 
1 1 1   16    0   17 o  124.433   1.5928 15089.22  384.223 14923.97  532.872 15268.17  554.520  123.730   2.2202  125.135   2.2846 -0.000000 0.000000 
1 1 1   16    0   18 o   13.154   3.3021  241.113   83.359  291.151  104.804  154.941  137.533   15.999   3.8945   10.308   5.3338 -0.000000 0.000000 
1 1 1   16    0   19 o   38.274   1.4039  1427.24  100.728  1388.17  127.406  1492.38  164.500   37.629   1.7529   38.919   2.1933 -0.000000 0.000000 
1 1 1   16    0   20 o   14.888   3.0371  326.221   77.756  386.989   90.755  158.481  150.782   19.407   2.5276   10.370   5.5233 -0.000000 0.000000 
1 1 1   16    0   21 o   34.837   1.4787  1197.75   97.276  1186.86  125.737  1213.99  153.524   34.701   1.8792   34.973   2.2837 -0.000000 0.000000 
1 1 1   16    0   22 o   44.391   1.2322  1961.86  100.790  2024.55  126.061  1850.78  167.811   45.481   1.4310   43.301   2.0063 -0.000000 0.000000 
1 1 1   16    0   23 o   12.037   3.8158  213.866   92.989  202.216  117.252  233.615  152.659   11.768   5.0303   12.305   5.7392 -0.000000 0.000000 
1 1 1   16    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   25 o   23.401   2.6809  588.392  102.561  567.737  123.133  635.189  185.336   23.284   2.8366   23.517   4.5501 -0.000000 0.000000 
1 1 1   16    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1    0 o   92.767   0.7904  8355.17  142.332  8451.47  202.173  8260.54  200.415   93.297   1.1163   92.237   1.1193 1.059959 1.580842 
1 1 1   16    1    1 o   48.481   0.6165  2281.66   58.010  2337.31   82.390  2226.94   81.692   49.067   0.8650   47.894   0.8787 1.172688 1.233015 
1 1 1   16    1    2 o   53.197   0.7489  2729.53   73.131  2803.32  126.725  2692.69   89.547   53.729   1.2150   52.664   0.8759 1.064453 1.497848 
1 1 1   16    1    3 o   48.737   0.6161  2306.46   58.279  2328.72   81.876  2283.59   82.973   48.976   0.8612   48.498   0.8813 0.4772835 1.232256 
1 1 1   16    1    4 o   94.322   0.7720  8639.23  141.341  8687.51  200.027  8591.08  199.747   94.585   1.0894   94.059   1.0940 0.5265808 1.543919 
1 1 1   16    1    5 o   40.933   0.6521  1626.41   51.807  1586.15   72.684  1667.99   73.863   40.418   0.9264   41.448   0.9180 -1.029736 1.304221 
1 1 1   16    1    6 o  123.327   0.9311 14772.39  222.885 14610.60  313.258 14938.27  317.191  122.643   1.3158  124.010   1.3176 -1.367485 1.862135 
1 1 1   16    1    7 o  128.601   0.9726 16075.26  242.639 15786.69  347.769 16348.97  338.697  127.473   1.4054  129.728   1.3450 -2.255547 1.945292 
1 1 1   16    1    8 o   52.657   0.6425  2691.71   65.657  2782.21   93.588  2604.00   92.135   53.529   0.9007   51.786   0.9165 1.743042 1.285014 
1 1 1   16    1    9 o   77.960   0.7419  5903.07  112.267  5975.61  158.854  5830.69  158.684   78.439   1.0433   77.481   1.0550 0.9575653 1.483770 
1 1 1   16    1   10 f   74.891   0.7201  5447.80  104.680  5508.75  147.629  5386.17  148.455   75.313   1.0098   74.470   1.0269 0.8434906 1.440248 
1 1 1   16    1   11 o   54.985   0.7236  2936.97   77.213  2961.95  108.257  2911.11  110.161   55.223   1.0099   54.746   1.0366 0.4769745 1.447189 
1 1 1   16    1   12 o   40.706   0.7631  1608.95   60.286  1571.46   84.247  1648.30   86.306   40.221   1.0790   41.192   1.0794 -0.9715958 1.526219 
1 1 1   16    1   13 o   68.852   0.7543  4605.89  100.811  4649.99  142.287  4561.44  142.850   69.184   1.0595   68.521   1.0740 0.6627884 1.508617 
1 1 1   16    1   14 o   67.429   0.7667  4417.60  100.331  4547.35  142.510  4290.08  141.276   68.412   1.0731   66.447   1.0953 1.964874 1.533380 
1 1 1   16    1   15 o   40.191   0.8492  1564.86   65.951  1516.58   88.551  1624.99   98.832   39.500   1.1549   40.882   1.2454 -1.382355 1.698439 
1 1 1   16    1   16 o   67.306   0.7887  4403.31  103.043  4426.07  145.812  4380.61  145.639   67.480   1.1131   67.133   1.1176 0.3478088 1.577363 
1 1 1   16    1   17 o   76.894   0.8264  5749.34  123.344  5703.80  173.523  5795.85  175.362   76.587   1.1672   77.202   1.1702 -0.6151505 1.652742 
1 1 1   16    1   18 o   70.938   0.8065  4896.05  111.037  4907.44  158.639  4885.12  155.469   71.017   1.1508   70.858   1.1303 0.1585541 1.613006 
1 1 1   16    1   19 o   91.352   0.9029  8129.89  160.091  8036.55  224.634  8226.23  228.216   90.820   1.2742   91.884   1.2795 -1.064034 1.805724 
1 1 1   16    1   20 o   76.947   0.8395  5771.27  125.375  5755.41  175.774  5787.68  178.882   76.842   1.1784   77.052   1.1960 -0.2102203 1.678967 
1 1 1   16    1   21 o   32.236   1.0282  1017.60   64.290  987.499   91.760  1046.62   90.102   31.761   1.4883   32.711   1.4190 -0.9496269 2.056326 
1 1 1   16    1   22 o   23.322   1.5625  526.574   69.719  663.099  109.094  432.323   90.644   25.815   2.1771   20.828   2.2419 4.986115 3.125027 
1 1 1   16    1   23 o   22.606   1.4750  511.514   64.241  439.550   90.557  584.421   91.148   20.957   2.2260   24.255   1.9359 -3.297413 2.950033 
1 1 1   16    1   24 o   34.053   1.0919  1144.00   72.094  1214.03  104.905  1081.33   99.242   35.039   1.5423   33.067   1.5461 1.971916 2.183841 
1 1 1   16    1   25 o   22.948   1.5998  537.589   70.868  554.883   96.378  517.232  104.566   23.416   2.1203   22.481   2.3962 0.9354630 3.199596 
1 1 1   16    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2    0 o   96.093   0.8090  8959.72  150.857  8721.14  210.116  9213.54  216.725   94.773   1.1421   97.412   1.1461 -2.638649 1.618032 
1 1 1   16    2    1 o  136.646   1.0367 18135.21  274.987 18128.77  388.300 18141.68  389.484  136.621   1.4641  136.670   1.4681 -0.4841614E-01 2.073402 
1 1 1   16    2    2 o   13.844   1.5037  186.230   40.402  182.321   56.407  190.347   57.895   13.695   2.1218   13.993   2.1314 -0.2980766 3.007487 
1 1 1   16    2    3 o   18.116   1.1964  324.820   41.086  399.432   57.575  247.400   58.648   20.278   1.4627   15.954   1.8937 4.323506 2.392764 
1 1 1   16    2    4 o   99.348   0.8026  9584.69  154.782  9595.27  219.613  9574.25  218.184   99.402   1.1381   99.293   1.1320 0.1086502 1.605226 
1 1 1   16    2    5 o  118.857   0.9475 13721.02  218.591 13795.81  311.429 13648.40  306.891  119.176   1.3462  118.538   1.3337 0.6376038 1.894995 
1 1 1   16    2    6 o   54.315   0.6281  2864.32   66.217  2857.18   92.953  2871.67   94.353   54.247   0.8827   54.384   0.8938 -0.1371231 1.256188 
1 1 1   16    2    7 o   76.763   0.7207  5719.50  107.345  5633.43  149.308  5811.58  154.440   76.166   1.0099   77.360   1.0284 -1.194221 1.441350 
1 1 1   16    2    8 o   66.948   0.6751  4350.99   87.721  4267.32  122.855  4438.02  125.294   66.291   0.9547   67.604   0.9548 -1.312912 1.350197 
1 1 1   16    2    9 o   18.769   1.2809  343.031   46.610  356.579   65.249  328.916   66.604   19.149   1.7553   18.389   1.8658 0.7600079 2.561713 
1 1 1   16    2   10 o   90.727   0.8058  7995.16  141.903  7913.11  199.615  8079.00  201.765   90.257   1.1393   91.198   1.1397 -0.9411316 1.611521 
1 1 1   16    2   11 f  160.747   1.3998 25144.47  436.766 24998.46  614.977 25293.08  620.420  160.277   1.9766  161.217   1.9825 -0.9404297 2.799515 
1 1 1   16    2   12 o   35.152   0.8264  1201.11   56.305  1190.15   81.740  1211.00   77.670   34.999   1.2031   35.306   1.1333 -0.3073769 1.652841 
1 1 1   16    2   13 o   80.873   0.8060  6348.53  126.440  6195.46  174.787  6516.56  183.132   79.852   1.1276   81.893   1.1520 -2.041245 1.612010 
1 1 1   16    2   14 o   85.360   0.8462  7078.02  140.173  6954.70  195.200  7209.32  201.415   84.594   1.1887   86.127   1.2047 -1.533127 1.692449 
1 1 1   16    2   15 o   57.736   0.7663  3236.49   85.816  3167.18  118.495  3312.95  124.448   57.087   1.0693   58.384   1.0981 -1.296951 1.532680 
1 1 1   16    2   16 o   74.793   0.8115  5437.70  117.800  5429.50  165.021  5446.22  168.212   74.737   1.1375   74.849   1.1577 -0.1129150 1.623012 
1 1 1   16    2   17 f   63.549   0.7956  3926.39   98.139  3854.43  138.227  3999.52  139.359   62.962   1.1310   64.137   1.1193 -1.175236 1.591233 
1 1 1   16    2   18 o   39.660   0.8865  1530.65   68.183  1627.82   97.504  1437.65   95.383   40.894   1.2283   38.426   1.2787 2.467583 1.773085 
1 1 1   16    2   19 o   28.968   1.0621  818.330   59.661  829.758   86.625  808.017   82.290   29.157   1.5305   28.779   1.4730 0.3786335 2.124185 
1 1 1   16    2   20 o   24.032   1.4022  567.724   65.352  594.607   92.311  540.713   92.534   24.610   1.9323   23.454   2.0324 1.155954 2.804343 
1 1 1   16    2   21 o   32.488   0.9598  1030.88   60.502  993.472   84.213  1070.79   86.980   31.879   1.3609   33.097   1.3538 -1.218493 1.919576 
1 1 1   16    2   22 o   29.144   1.1694  836.352   66.152  828.296   92.882  844.645   94.239   29.003   1.6498   29.286   1.6577 -0.2828083 2.338768 
1 1 1   16    2   23 o   13.692   2.1430  203.351   58.099  113.218   84.142  285.481   80.320   10.549   3.5113   16.834   2.4580 -6.284331 4.286098 
1 1 1   16    2   24 o   8.9475   2.4682   49.793   65.596  108.235   92.235 -10.0146   93.307   10.393   3.6690   7.5017   3.3025 2.891603 4.936356 
1 1 1   16    2   25 o   12.797   2.6302  186.187   69.424  169.648  102.758  200.074   94.164   12.266   3.8649   13.328   3.5685 -1.062235 5.260386 
1 1 1   16    2   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3    0 o   74.045   0.6938  5322.16   99.719  5391.12  142.089  5255.23  139.983   74.518   0.9823   73.573   0.9802 0.9450989 1.387650 
1 1 1   16    3    1 f  128.448   0.9886 16022.02  246.481 16231.00  350.625 15817.85  346.564  129.276   1.3972  127.620   1.3989 1.656044 1.977171 
1 1 1   16    3    2 o  109.192   0.8686 11578.85  184.003 11592.59  256.031 11564.18  264.621  109.260   1.2072  109.124   1.2492 0.1359406 1.737179 
1 1 1   16    3    3 o   56.284   0.6253  3075.90   68.288  3086.93   95.386  3064.30   97.809   56.387   0.8714   56.180   0.8969 0.2075272 1.250515 
1 1 1   16    3    4 o   93.163   0.7785  8430.23  140.762  8594.19  198.397  8264.04  199.746   94.076   1.0864   92.250   1.1154 1.825890 1.557077 
1 1 1   16    3    5 o   62.863   0.6451  3835.83   78.690  3983.36  112.254  3693.28  110.340   64.052   0.9028   61.675   0.9216 2.376781 1.290161 
1 1 1   16    3    6 o   72.736   0.6805  5136.58   96.071  5166.56  137.248  5107.77  134.522   72.944   0.9693   72.528   0.9555 0.4158173 1.361051 
1 1 1   16    3    7 o  199.698   1.3157 38768.15  509.993 39051.79  727.003 38493.34  715.609  200.415   1.8687  198.980   1.8527 1.435257 2.631439 
1 1 1   16    3    8 o   67.940   0.6784  4482.28   89.475  4491.72  126.785  4472.92  126.291   68.012   0.9603   67.869   0.9586 0.1424561 1.356885 
1 1 1   16    3    9 o  160.372   1.2259 25011.80  380.935 24949.24  555.613 25067.29  523.286  160.174   1.7870  160.570   1.6788 -0.3966827 2.451888 
1 1 1   16    3   10 o   39.337   0.7416  1514.56   56.118  1614.03   76.070  1395.79   83.125   40.767   0.9612   37.907   1.1297 2.860439 1.483287 
1 1 1   16    3   11 o   64.470   0.7280  4037.15   91.106  4089.35  128.930  3985.09  128.756   64.887   1.0236   64.054   1.0355 0.8329849 1.456046 
1 1 1   16    3   12 o  116.178   1.0465 13114.32  235.940 13427.76  338.771 12819.06  328.792  117.525   1.4849  114.831   1.4750 2.693405 2.093019 
1 1 1   16    3   13 o   80.198   0.8051  6248.61  125.320  6203.98  175.543  6295.00  178.966   79.906   1.1317   80.489   1.1454 -0.5829468 1.610206 
1 1 1   16    3   14 o   20.528   1.4090  419.503   54.802  505.405   75.787  325.362   79.338   22.789   1.7132   18.267   2.2374 4.521524 2.818003 
1 1 1   16    3   15 o   97.240   0.9269  9195.20  174.955  9155.80  246.936  9234.91  247.915   97.031   1.3110   97.449   1.3106 -0.4183273 1.853738 
1 1 1   16    3   16 o   72.090   0.8040  5048.79  112.474  5187.80  161.432  4917.65  156.793   73.054   1.1384   71.126   1.1356 1.927299 1.607951 
1 1 1   16    3   17 o   34.022   1.0108  1126.77   66.646  1213.16   95.093  1043.38   93.433   35.306   1.3875   32.737   1.4702 2.569054 2.021568 
1 1 1   16    3   18 o   65.716   0.7881  4202.05  100.512  4300.99  142.306  4103.54  141.987   66.490   1.1026   64.942   1.1263 1.547455 1.576131 
1 1 1   16    3   19 o   46.247   0.8195  2085.18   73.479  1999.35  105.013  2167.50  102.851   45.309   1.1940   47.185   1.1229 -1.876095 1.639038 
1 1 1   16    3   20 o   67.623   0.9507  4487.38  120.469  4558.73  152.377  4368.45  196.736   68.395   1.1477   66.851   1.5160 1.543472 1.901474 
1 1 1   16    3   21 o   20.381   1.5912  412.772   62.673  448.696   87.647  375.186   89.653   21.314   2.1184   19.447   2.3749 1.867180 3.182423 
1 1 1   16    3   22 o   13.055   2.2895  179.746   58.688  232.681   85.276  132.113   80.892   14.872   3.0561   11.239   3.4100 3.632504 4.579054 
1 1 1   16    3   23 o   26.238   1.2945  682.759   65.884  658.855   93.690  706.144   92.666   25.771   1.8728   26.706   1.7875 -0.9345398 2.588954 
1 1 1   16    3   24 o   19.107   1.7382  373.446   63.981  418.758   89.736  326.593   91.249   20.357   2.2708   17.857   2.6324 2.500017 3.476492 
1 1 1   16    3   25 o   13.308   2.5205  201.014   68.827  136.378   98.832  261.878   95.904   11.210   3.8056   15.405   3.3061 -4.194357 5.041077 
1 1 1   16    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4    0 o  211.193   1.3524 43335.72  554.343 43161.78  776.618 43516.39  791.514  210.763   1.8982  211.624   1.9268 -0.8605194 2.704752 
1 1 1   16    4    1 o  157.662   1.0965 24150.36  334.576 24211.30  456.082 24079.36  492.319  157.882   1.4881  157.442   1.6109 0.4406128 2.193051 
1 1 1   16    4    2 o   68.108   0.6510  4502.73   86.035  4472.28  119.897  4535.05  123.528   67.871   0.9100   68.345   0.9311 -0.4741669 1.301965 
1 1 1   16    4    3 f   50.183   0.6141  2445.26   59.791  2453.62   83.227  2436.34   85.954   50.272   0.8529   50.094   0.8839 0.1777840 1.228286 
1 1 1   16    4    4 o  141.365   1.0291 19413.93  281.670 19417.06  384.817 19410.31  413.399  141.382   1.4021  141.349   1.5066 0.3358459E-01 2.058158 
1 1 1   16    4    5 o  129.434   1.0007 16272.62  251.404 16415.00  358.522 16134.88  352.628  129.991   1.4208  128.878   1.4095 1.113037 2.001369 
1 1 1   16    4    6 o   76.596   0.6932  5696.79  103.070  5714.38  146.692  5679.65  144.853   76.713   0.9851   76.480   0.9757 0.2331619 1.386498 
1 1 1   16    4    7 o   91.940   0.7932  8207.47  141.538  8295.43  202.638  8123.67  197.779   92.420   1.1295   91.459   1.1140 0.9610367 1.586443 
1 1 1   16    4    8 f  109.300   0.9192 11604.00  194.766 11572.16  268.520 11639.34  282.927  109.145   1.2674  109.456   1.3316 -0.3114395 1.838312 
1 1 1   16    4    9 o  100.913   0.8696  9893.00  170.343  9900.02  240.662  9885.95  241.140  100.949   1.2281  100.877   1.2314 0.7200623E-01 1.739173 
1 1 1   16    4   10 o   68.237   0.8533  4509.27  106.441  4481.55  130.026  4565.56  185.324   67.930   0.9861   68.543   1.3928 -0.6129456 1.706549 
1 1 1   16    4   11 o  173.058   1.4257 29197.28  477.448 29843.13  654.325 28461.83  698.241  175.130   1.9247  170.987   2.1037 4.142670 2.851312 
1 1 1   16    4   12 o  104.828   0.9648 10680.36  196.330 10645.93  276.565 10715.33  278.753  104.658   1.3613  104.998   1.3676 -0.3399200 1.929664 
1 1 1   16    4   13 o   25.221   1.1320  618.334   55.319  671.320   79.399  568.352   77.116   26.272   1.5569   24.171   1.6436 2.101522 2.263901 
1 1 1   16    4   14 o   42.656   0.8022  1766.36   66.391  1827.87   95.735  1709.36   92.150   43.371   1.1371   41.941   1.1318 1.429306 1.604406 
1 1 1   16    4   15 f  118.466   1.0757 13656.14  247.357 13728.22  352.441 13586.16  347.249  118.773   1.5286  118.160   1.5139 0.6131744 2.151445 
1 1 1   16    4   16 o   84.617   0.8539  6962.04  140.239  6813.86  198.156  7110.72  198.500   83.713   1.2194   85.520   1.1957 -1.807037 1.707826 
1 1 1   16    4   17 f   27.127   1.1786  716.847   61.697  616.537   85.637  825.101   88.964   25.149   1.7542   29.105   1.5746 -3.956665 2.357265 
1 1 1   16    4   18 f   68.379   0.7937  4548.23  105.322  4502.98  146.841  4596.17  151.149   68.031   1.1119   68.728   1.1329 -0.6970978 1.587428 
1 1 1   16    4   19 o   33.862   1.0233  1116.40   67.091  1009.52   92.843  1233.21   97.061   32.164   1.4870   35.560   1.4061 -3.395336 2.046530 
1 1 1   16    4   20 o   46.020   0.8293  2064.11   74.079  2096.91  105.384  2032.08  104.155   46.382   1.1705   45.658   1.1751 0.7233391 1.658608 
1 1 1   16    4   21 o   10.741   2.5272  112.815   61.857   98.816   86.966  127.150   88.002   10.264   3.5667   11.218   3.5811 -0.9542770 5.054321 
1 1 1   16    4   22 o   15.192   2.0495  243.996   58.315  325.189   82.363  162.382   82.576   18.035   2.3527   12.350   3.3566 5.684898 4.099029 
1 1 1   16    4   23 o   17.046   2.0158  304.991   63.469  222.362   89.237  389.582   90.290   14.401   3.2671   19.690   2.3623 -5.288514 4.031675 
1 1 1   16    4   24 o   8.8184   2.4311   46.916   62.032  105.793   93.645   0.8796   82.805   10.334   3.6917   7.3025   3.1643 3.031804 4.862237 
1 1 1   16    4   25 o   13.062   2.6883  193.434   73.110  231.954  104.877  157.020  101.971   14.264   3.7413   11.859   3.8615 2.405497 5.376620 
1 1 1   16    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5    0 o   86.151   0.7447  7205.96  124.531  7162.31  175.535  7250.19  176.697   85.888   1.0528   86.413   1.0534 -0.5252991 1.489322 
1 1 1   16    5    1 o  174.456   1.1786 29590.59  397.900 29873.66  543.107 29262.60  584.615  175.364   1.5954  173.548   1.7353 1.816422 2.357298 
1 1 1   16    5    2 o   66.006   0.6404  4225.13   81.998  4458.87  118.023  4007.03  114.006   67.769   0.8972   64.243   0.9142 3.525757 1.280875 
1 1 1   16    5    3 o   56.460   0.6235  3094.61   68.322  3190.05   97.155  3001.23   96.098   57.321   0.8731   55.599   0.8904 1.722645 1.247075 
1 1 1   16    5    4 o   93.178   0.8034  8430.34  145.306  8540.97  206.868  8322.61  204.146   93.782   1.1363   92.575   1.1360 1.206596 1.606800 
1 1 1   16    5    5 o   81.569   0.7358  6459.57  116.496  6344.56  163.485  6578.20  166.045   80.831   1.0419   82.306   1.0393 -1.474930 1.471618 
1 1 1   16    5    6 o   81.009   0.7272  6372.38  114.346  6425.20  162.312  6320.34  161.114   81.342   1.0279   80.676   1.0288 0.6665115 1.454331 
1 1 1   16    5    7 o   89.146   0.7946  7703.12  137.375  8127.18  199.317  7319.38  189.603   91.478   1.1224   86.813   1.1251 4.665367 1.589254 
1 1 1   16    5    8 o   49.441   0.6384  2372.86   61.254  2313.37   85.871  2434.49   87.401   48.810   0.9063   50.071   0.8992 -1.261627 1.276702 
1 1 1   16    5    9 o   96.090   0.8159  8968.44  152.173  9109.34  216.101  8829.84  214.321   96.839   1.1496   95.341   1.1580 1.497795 1.631735 
1 1 1   16    5   10 o   76.031   0.7616  5617.06  112.268  5662.45  155.266  5567.33  162.525   76.354   1.0476   75.707   1.1059 0.6470490 1.523285 
1 1 1   16    5   11 o   40.973   0.7426  1631.25   59.036  1667.34   82.981  1594.27   84.007   41.432   1.0318   40.513   1.0682 0.9192238 1.485128 
1 1 1   16    5   12 o  160.532   1.3994 25080.35  436.011 24740.83  610.467 25433.90  622.948  159.425   1.9726  161.639   1.9854 -2.214523 2.798727 
1 1 1   16    5   13 o   49.957   0.7453  2423.29   72.251  2369.50  100.686  2480.40  103.737   49.386   1.0503   50.528   1.0576 -1.142105 1.490534 
1 1 1   16    5   14 f   46.618   0.7458  2106.60   67.365  2188.30   98.988  2036.13   91.938   47.457   1.0745   45.779   1.0346 1.678005 1.491620 
1 1 1   16    5   15 o   94.765   0.9079  8732.75  166.991  8720.90  237.614  8744.32  234.734   94.701   1.2926   94.830   1.2752 -0.1294708 1.815702 
1 1 1   16    5   16 o   55.159   0.7832  2957.34   83.827  2958.35  120.227  2956.38  116.939   55.167   1.1227   55.151   1.0923 0.1609039E-01 1.566389 
1 1 1   16    5   17 o   54.541   0.7547  2891.94   79.902  2872.68  112.777  2911.34  113.222   54.359   1.0688   54.723   1.0658 -0.3647346 1.509408 
1 1 1   16    5   18 o   34.647   0.9800  1168.51   65.865  1230.14   94.605  1110.53   91.755   35.534   1.3715   33.760   1.4001 1.774296 1.959943 
1 1 1   16    5   19 o   9.9014   2.4915   84.372   60.129   71.486   80.972  100.214   89.779   9.3398   3.4195   10.463   3.6247 -1.123116 4.983065 
1 1 1   16    5   20 o   39.454   0.9203  1519.74   70.430  1581.65   99.429  1457.40   99.778   40.266   1.2721   38.643   1.3302 1.623089 1.840510 
1 1 1   16    5   21 o   23.342   1.3893  540.027   62.153  438.162   87.085  645.782   88.732   21.054   2.1308   25.630   1.7835 -4.575403 2.778658 
1 1 1   16    5   22 o   23.627   1.4093  554.580   64.468  510.353   91.254  598.648   91.090   22.664   2.0742   24.590   1.9083 -1.926115 2.818544 
1 1 1   16    5   23 o   36.014   0.9427  1273.64   65.858  1258.76   94.623  1287.63   91.720   35.802   1.3615   36.227   1.3043 -0.4255829 1.885430 
1 1 1   16    5   24 o   28.270   1.3750  790.213   74.735  865.252  115.668  736.438   97.918   29.372   2.0287   27.169   1.8566 2.203135 2.750037 
1 1 1   16    5   25 o   10.594   2.6024  113.200   68.575  166.688   96.353   58.300   97.617   12.164   3.7280   9.0239   3.6320 3.139769 5.204719 
1 1 1   16    5   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6    0 o  110.818   0.8885 11928.63  190.919 11992.17  264.273 11859.27  276.118  111.129   1.2251  110.508   1.2872 0.6203003 1.776962 
1 1 1   16    6    1 o  144.562   1.0371 20301.03  290.098 20326.75  394.922 20270.88  427.538  144.666   1.4063  144.458   1.5246 0.2076416 2.074175 
1 1 1   16    6    2 o  110.789   0.8717 11919.48  187.149 11911.76  257.269 11928.17  272.746  110.752   1.1967  110.825   1.2678 -0.7257080E-01 1.743371 
1 1 1   16    6    3 o   43.752   0.6248  1858.66   53.054  1820.34   74.929  1897.20   75.132   43.300   0.8914   44.205   0.8756 -0.9049339 1.249519 
1 1 1   16    6    4 o  131.277   0.9832 16718.76  249.825 16464.65  339.488 17018.91  368.962  130.194   1.3433  132.361   1.4360 -2.166077 1.966351 
1 1 1   16    6    5 o   56.606   0.6296  3111.50   69.150  3127.28   96.492  3094.85   99.147   56.753   0.8759   56.458   0.9047 0.2956238 1.259189 
1 1 1   16    6    6 o   33.213   0.7119  1072.23   45.841  1014.87   64.984  1129.04   64.675   32.328   1.0355   34.099   0.9771 -1.770866 1.423743 
1 1 1   16    6    7 o  134.648   0.9795 17613.93  256.018 17688.63  361.286 17538.60  362.848  134.936   1.3793  134.361   1.3912 0.5745392 1.959052 
1 1 1   16    6    8 o   49.003   0.6426  2331.16   61.091  2314.46   84.879  2349.11   87.996   48.821   0.8956   49.185   0.9217 -0.3634682 1.285140 
1 1 1   16    6    9 o   53.294   0.6612  2756.49   68.353  2715.98   94.630  2800.67   98.838   52.885   0.9218   53.702   0.9481 -0.8173676 1.322359 
1 1 1   16    6   10 o  116.977   0.9805 13297.62  222.361 13302.87  306.719 13291.81  322.831  117.005   1.3504  116.949   1.4221 0.5601501E-01 1.961097 
1 1 1   16    6   11 o   42.479   0.7068  1752.70   58.271  1788.48   82.503  1717.08   82.312   42.912   0.9904   42.046   1.0085 0.8658371 1.413512 
1 1 1   16    6   12 o   79.745   0.8004  6178.46  123.902  6250.48  175.159  6106.33  175.288   80.210   1.1250   79.279   1.1390 0.9312286 1.600899 
1 1 1   16    6   13 o   72.111   0.7591  5051.57  106.248  5117.42  151.262  4987.44  149.274   72.575   1.0737   71.647   1.0733 0.9275360 1.518150 
1 1 1   16    6   14 o   99.136   0.9287  9551.29  178.674  9687.52  255.911  9421.73  249.574   99.824   1.3206   98.447   1.3060 1.377167 1.857324 
1 1 1   16    6   15 f   15.660   1.9524  254.552   56.078  175.661   82.208  323.212   76.692   13.119   3.2459   18.200   2.1708 -5.081046 3.904856 
1 1 1   16    6   16 o   78.215   0.8218  5945.85  124.755  6023.78  178.659  5871.70  174.282   78.715   1.1692   77.716   1.1553 0.9984741 1.643692 
1 1 1   16    6   17 o   38.141   0.8922  1415.65   66.025  1403.20   94.643  1427.45   92.153   37.976   1.2838   38.306   1.2393 -0.3299255 1.784403 
1 1 1   16    6   18 o   25.839   1.1612  648.869   57.963  677.747   87.038  625.854   77.700   26.348   1.7018   25.329   1.5803 1.018608 2.322333 
1 1 1   16    6   19 o   30.289   1.0555  900.621   61.538  943.429   83.080  848.586   91.597   31.103   1.3760   29.474   1.6010 1.629440 2.111030 
1 1 1   16    6   20 o   49.100   0.8504  2349.12   81.018  2259.78  113.075  2443.38  116.142   48.140   1.2100   50.061   1.1952 -1.920254 1.700750 
1 1 1   16    6   21 o   25.957   1.1719  661.349   58.989  621.805   82.726  702.253   84.137   25.162   1.6937   26.753   1.6201 -1.591576 2.343791 
1 1 1   16    6   22 o   18.258   1.7899  335.160   63.289  306.442   88.589  365.098   90.450   17.437   2.6172   19.079   2.4423 -1.641417 3.579725 
1 1 1   16    6   23 o   28.712   1.2976  798.450   71.129  922.715  113.801  718.779   91.122   30.472   1.9239   26.951   1.7417 3.520767 2.595171 
1 1 1   16    6   24 o   21.953   1.4983  481.286   63.594  442.652   85.458  529.229   95.199   20.981   2.0983   22.925   2.1392 -1.944513 2.996521 
1 1 1   16    6   25 o   25.987   1.5123  685.321   75.732  680.574  113.821  689.091  101.447   25.836   2.2695   26.138   1.9994 -0.3022270 3.024644 
1 1 1   16    6   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7    0 o   73.687   0.6831  5267.91   97.588  5198.22  134.330  5345.80  142.012   73.172   0.9457   74.202   0.9859 -1.030502 1.366173 
1 1 1   16    7    1 o  156.147   1.1130 23703.46  336.296 23916.38  458.927 23456.54  494.221  156.911   1.5067  155.384   1.6385 1.527298 2.225954 
1 1 1   16    7    2 o   94.225   0.7927  8618.91  144.842  8566.92  200.133  8676.08  209.891   93.928   1.0976   94.522   1.1439 -0.5945969 1.585360 
1 1 1   16    7    3 o  195.710   1.2550 37166.71  473.717 36730.84  633.188 37720.82  713.931  194.422   1.6777  196.998   1.8669 -2.575455 2.510025 
1 1 1   16    7    4 o  139.680   1.0277 18956.73  278.037 18998.00  381.014 18909.71  406.643  139.847   1.4035  139.513   1.5015 0.3337860 2.055353 
1 1 1   16    7    5 o   39.665   0.6405  1523.77   49.216  1471.22   67.070  1585.09   72.445   38.926   0.8876   40.404   0.9237 -1.477760 1.281023 
1 1 1   16    7    6 o   65.612   0.6503  4180.00   82.820  4185.84  117.025  4174.13  117.225   65.658   0.9182   65.566   0.9210 0.9195709E-01 1.300530 
1 1 1   16    7    7 o   49.272   0.6438  2352.82   61.517  2241.27   84.872  2476.29   89.291   48.044   0.9100   50.500   0.9109 -2.456116 1.287565 
1 1 1   16    7    8 o   90.076   0.7987  7880.43  139.642  7852.71  195.795  7909.12  199.216   89.915   1.1218   90.237   1.1373 -0.3214874 1.597438 
1 1 1   16    7    9 o   16.703   1.3182  271.632   42.695  260.874   60.904  282.026   59.867   16.376   1.9159   17.029   1.8111 -0.6530132 2.636400 
1 1 1   16    7   10 o   42.432   0.7259  1748.68   59.661  1748.77   81.750  1748.57   87.268   42.434   0.9925   42.429   1.0596 0.4367828E-02 1.451767 
1 1 1   16    7   11 o   63.020   0.6957  3854.78   85.020  3803.79  117.341  3911.14  123.359   62.582   0.9659   63.457   1.0014 -0.8753777 1.391346 
1 1 1   16    7   12 o   59.669   0.7128  3453.46   82.481  3348.97  113.689  3569.57  119.844   58.718   0.9974   60.620   1.0184 -1.902069 1.425510 
1 1 1   16    7   13 o   18.578   1.3790  335.159   49.598  371.710   72.111  302.344   68.327   19.538   1.9014   17.618   1.9979 1.920033 2.758056 
1 1 1   16    7   14 f   64.231   0.7484  4007.71   93.305  4061.03  133.275  3956.45  130.669   64.650   1.0620   63.813   1.0549 0.8374405 1.496850 
1 1 1   16    7   15 o   20.150   1.4128  392.921   55.022  347.771   74.516  447.047   81.588   18.885   2.0326   21.415   1.9626 -2.529867 2.825526 
1 1 1   16    7   16 o   75.838   0.8200  5591.92  120.699  5553.04  171.453  5630.12  169.946   75.576   1.1687   76.100   1.1504 -0.5246735 1.639912 
1 1 1   16    7   17 o  100.135   0.9533  9758.91  185.298  9772.69  263.245  9745.37  260.872  100.204   1.3533  100.066   1.3430 0.1380768 1.906612 
1 1 1   16    7   18 o   49.109   0.7826  2345.82   74.573  2253.45  104.470  2441.79  106.483   48.122   1.1184   50.096   1.0950 -1.973331 1.565168 
1 1 1   16    7   19 o   20.311   1.4435  404.447   56.832  408.472   82.765  400.857   78.177   20.401   2.0899   20.220   1.9917 0.1808014 2.887010 
1 1 1   16    7   20 o   24.595   1.3307  596.232   63.248  630.010   87.157  558.656   91.927   25.350   1.7712   23.841   1.9864 1.509319 2.661327 
1 1 1   16    7   21 o   38.408   0.9587  1442.33   71.449  1420.05   99.387  1466.16  102.788   38.104   1.3437   38.712   1.3678 -0.6083450 1.917387 
1 1 1   16    7   22 o   34.204   0.9702  1151.87   64.180  1072.49   92.541  1225.43   89.087   33.045   1.4426   35.363   1.2978 -2.317299 1.940474 
1 1 1   16    7   23 o   39.467   0.9495  1529.55   72.737  1521.88  102.281  1537.40  103.461   39.368   1.3384   39.565   1.3471 -0.1971931 1.898931 
1 1 1   16    7   24 o   19.203   1.7018  375.323   62.294  469.919   90.510  290.181   85.867   21.590   2.1596   16.815   2.6306 4.774910 3.403529 
1 1 1   16    7   25 o   20.070   2.5078  435.975   89.392  419.457  108.656  470.572  157.253   20.026   2.7950   20.114   4.1646 -0.8778572E-01 5.015574 
1 1 1   16    7   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8    0 o  151.818   1.0803 22359.49  317.255 22050.65  429.622 22729.88  470.491  150.671   1.4689  152.964   1.5845 -2.293518 2.160635 
1 1 1   16    8    1 o  134.151   1.0079 17486.89  262.139 17613.05  362.378 17348.42  379.666  134.662   1.3863  133.641   1.4635 1.020920 2.015854 
1 1 1   16    8    2 o   94.464   0.7972  8664.57  146.052  8645.68  202.157  8685.19  211.239   94.358   1.1037   94.571   1.1507 -0.2133713 1.594418 
1 1 1   16    8    3 o  154.223   1.0875 23115.27  324.658 23205.88  443.401 23010.56  476.673  154.555   1.4779  153.891   1.5957 0.6634979 2.174940 
1 1 1   16    8    4 o  121.049   0.9567 14229.07  224.729 14083.68  313.215 14383.32  322.623  120.413   1.3400  121.685   1.3658 -1.272354 1.913387 
1 1 1   16    8    5 o  109.429   0.9524 11634.55  202.234 11533.10  289.097 11731.76  283.004  108.960   1.3668  109.898   1.3266 -0.9371567 1.904743 
1 1 1   16    8    6 o   92.174   0.7964  8246.52  142.350  8155.32  196.301  8347.66  206.729   91.637   1.1035   92.710   1.1487 -1.072021 1.592899 
1 1 1   16    8    7 o   64.679   0.6644  4060.34   83.395  3997.18  116.098  4127.67  119.868   64.160   0.9322   65.198   0.9471 -1.038445 1.328899 
1 1 1   16    8    8 o   48.494   0.6503  2283.40   61.210  2240.32   86.104  2327.41   87.030   48.032   0.9235   48.957   0.9158 -0.9248810 1.300571 
1 1 1   16    8    9 o   30.915   0.7763  927.583   46.555  979.378   66.800  878.665   64.918   31.754   1.0837   30.077   1.1119 1.677557 1.552673 
1 1 1   16    8   10 o   23.429   1.0893  531.483   49.367  509.965   66.560  557.795   73.603   22.905   1.4970   23.953   1.5829 -1.048033 2.178655 
1 1 1   16    8   11 o   40.387   0.7487  1586.86   58.609  1656.42   81.943  1514.00   83.861   41.296   1.0222   39.479   1.0943 1.817314 1.497455 
1 1 1   16    8   12 o   35.181   0.8227  1199.61   55.916  1173.61   75.111  1231.94   83.747   34.756   1.1133   35.606   1.2116 -0.8501091 1.645441 
1 1 1   16    8   13 o  102.927   0.9477 10299.15  189.345 10227.83  266.897 10371.41  268.661  102.568   1.3405  103.286   1.3400 -0.7174759 1.895381 
1 1 1   16    8   14 o   78.138   0.8002  5932.18  121.364  6063.12  172.885  5804.96  170.412   78.988   1.1275   77.288   1.1359 1.700592 1.600471 
1 1 1   16    8   15 o   90.896   0.8864  8032.47  156.391  8120.59  222.247  7946.03  220.110   91.390   1.2528   90.402   1.2543 0.9877548 1.772766 
1 1 1   16    8   16 o   60.404   0.7828  3540.55   91.707  3703.78  133.153  3393.26  126.489   61.726   1.1113   59.083   1.1029 2.643433 1.565648 
1 1 1   16    8   17 o   19.077   1.8260  376.115   62.150  504.187   86.977  242.503   88.839   22.723   1.9719   15.431   3.0739 7.292313 3.651961 
1 1 1   16    8   18 o   40.756   0.8830  1627.76   69.390  1744.07   95.140  1495.57  101.426   42.331   1.1578   39.181   1.3335 3.149422 1.766036 
1 1 1   16    8   19 o   14.674   2.0721  223.606   57.501  153.854   82.612  289.153   80.083   12.218   3.3726   17.131   2.4083 -4.912477 4.144167 
1 1 1   16    8   20 o   60.831   0.7913  3605.93   93.437  3636.06  133.149  3576.69  131.152   61.081   1.1230   60.582   1.1152 0.4990883 1.582659 
1 1 1   16    8   21 o   41.060   0.9401  1653.88   74.682  1787.50  104.811  1516.08  106.439   42.765   1.2626   39.355   1.3933 3.410191 1.880235 
1 1 1   16    8   22 o   8.4734   2.3646   46.421   57.800   28.827   82.273   63.566   81.219   8.0161   3.2939   8.9307   3.3933 -0.9146118 4.729104 
1 1 1   16    8   23 o   31.258   1.0770  960.738   64.619  948.217   85.024  977.859   99.425   31.051   1.4106   31.464   1.6278 -0.4133396 2.153988 
1 1 1   16    8   24 o   28.175   1.6510  836.385   76.502  868.141   88.620  743.505  151.557   29.613   1.5416   26.737   2.9201 2.876572 3.302091 
1 1 1   16    8   25 o   10.384   2.7352   85.152   77.350  182.294  119.569   15.245  101.433   12.592   4.1854   8.1754   3.5224 4.417031 5.470367 
1 1 1   16    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9    0 o   87.512   0.7559  7431.12  128.234  7342.44  176.317  7530.72  186.842   86.959   1.0445   88.066   1.0930 -1.106216 1.511807 
1 1 1   16    9    1 o   42.247   0.6082  1733.48   49.843  1753.77   69.448  1711.93   71.577   42.502   0.8418   41.991   0.8781 0.5106354 1.216395 
1 1 1   16    9    2 o  106.211   0.8574 10965.90  176.529 11194.88  244.981 10718.61  254.595  107.367   1.1754  105.054   1.2485 2.312500 1.714723 
1 1 1   16    9    3 o  150.559   1.1534 22047.10  335.865 22283.29  457.323 21770.54  494.865  151.443   1.5556  149.675   1.7032 1.767761 2.306724 
1 1 1   16    9    4 o  146.009   1.0564 20703.75  298.420 20614.81  405.428 20808.92  440.855  145.672   1.4337  146.345   1.5519 -0.6729736 2.112789 
1 1 1   16    9    5 o   82.698   0.7468  6645.69  119.770  6757.84  166.616  6525.79  172.287   83.421   1.0289   81.974   1.0827 1.447014 1.493613 
1 1 1   16    9    6 o   70.865   0.6860  4867.09   94.184  4738.25  128.547  5016.41  138.389   69.855   0.9480   71.874   0.9919 -2.019684 1.372048 
1 1 1   16    9    7 o   53.654   0.6491  2794.58   67.536  2779.59   93.290  2811.07   97.897   53.504   0.8982   53.805   0.9373 -0.3011093 1.298218 
1 1 1   16    9    8 o   33.264   0.7643  1072.06   49.281  995.726   67.952  1156.76   71.577   32.018   1.0933   34.511   1.0684 -2.492664 1.528697 
1 1 1   16    9    9 o   40.787   0.6891  1615.34   54.555  1634.91   77.814  1596.43   76.507   41.030   0.9770   40.544   0.9721 0.4856606 1.378213 
1 1 1   16    9   10 o   39.398   0.7455  1506.60   56.982  1480.41   78.925  1535.12   82.354   39.041   1.0414   39.755   1.0672 -0.7141190 1.491099 
1 1 1   16    9   11 o   81.782   0.7850  6498.68  124.589  6566.66  174.759  6428.43  177.668   82.218   1.0950   81.346   1.1251 0.8719025 1.570007 
1 1 1   16    9   12 o   32.479   0.8660  1024.82   54.394  1021.92   73.730  1028.28   80.574   32.431   1.1712   32.528   1.2761 -0.9737015E-01 1.732059 
1 1 1   16    9   13 o   62.778   0.7278  3825.33   88.647  3699.04  123.147  3961.15  127.709   61.704   1.0281   63.853   1.0303 -2.148647 1.455553 
1 1 1   16    9   14 o   18.910   1.5309  349.515   55.939  357.952   76.101  339.599   82.507   19.164   2.0457   18.657   2.2782 0.5071621 3.061896 
1 1 1   16    9   15 o   86.592   0.8615  7289.47  144.807  7240.25  204.133  7339.34  205.451   86.298   1.2186   86.886   1.2181 -0.5885696 1.722997 
1 1 1   16    9   16 o  108.586   1.0105 11473.68  212.986 11519.43  302.573 11428.75  299.860  108.800   1.4326  108.373   1.4254 0.4276505 2.020935 
1 1 1   16    9   17 o   56.324   0.7821  3086.14   85.482  3152.44  120.317  3018.56  121.472   56.936   1.0886   55.711   1.1232 1.225536 1.564206 
1 1 1   16    9   18 o   29.779   1.1060  862.826   63.839  820.731   87.438  910.881   93.425   29.005   1.5530   30.554   1.5752 -1.549215 2.211989 
1 1 1   16    9   19 o   28.291   1.1253  780.326   61.610  760.493   83.489  804.040   91.293   27.903   1.5414   28.678   1.6399 -0.7757397 2.250612 
1 1 1   16    9   20 o   16.955   1.8647  289.894   59.197  348.273   85.334  235.740   82.188   18.772   2.3417   15.138   2.9024 3.633868 3.729316 
1 1 1   16    9   21 f   61.348   0.7955  3673.49   94.699  3662.58  131.937  3685.09  136.005   61.258   1.1095   61.437   1.1404 -0.1782608 1.591093 
1 1 1   16    9   22 o   40.992   0.9231  1651.38   73.193  1700.09  100.311  1595.91  107.039   41.661   1.2404   40.324   1.3674 1.336231 1.846203 
1 1 1   16    9   23 o   9.7922   2.7329   67.944   70.659   59.669   83.503   88.808  132.596   8.8337   3.4192   10.751   4.2644 -1.916892 5.465889 
1 1 1   16    9   24 o   14.920   2.1365  222.791   61.128  121.340   78.586  378.204   97.266   10.649   3.3825   19.190   2.6110 -8.541414 4.273061 
1 1 1   16    9   25 o   18.118   2.6645  396.922   87.963  458.706  109.568  284.906  147.532   20.975   2.6910   15.260   4.5995 5.714708 5.328913 
1 1 1   16   10    0 o  111.889   0.8852 12161.39  192.057 12231.06  265.940 12085.44  277.658  112.225   1.2208  111.552   1.2822 0.6733017 1.770413 
1 1 1   16   10    1 o  100.523   0.8204  9813.24  159.827  9818.17  219.994  9807.72  232.591  100.551   1.1271  100.495   1.1923 0.5657959E-01 1.640701 
1 1 1   16   10    2 o   80.553   0.7193  6297.41  112.385  6224.81  155.378  6377.05  162.751   80.067   0.9997   81.039   1.0346 -0.9719772 1.438660 
1 1 1   16   10    3 o   42.056   0.6217  1717.20   50.754  1709.30   71.374  1725.29   72.186   41.958   0.8763   42.154   0.8822 -0.1957436 1.243429 
1 1 1   16   10    4 o   73.899   0.7020  5300.64  100.645  5243.01  139.641  5362.94  145.189   73.482   0.9790   74.317   1.0064 -0.8348083 1.404022 
1 1 1   16   10    5 o  153.614   1.0909 22915.81  323.948 22780.85  438.068 23078.68  481.233  153.123   1.4738  154.105   1.6087 -0.9822388 2.181733 
1 1 1   16   10    6 o   65.617   0.6656  4182.42   84.719  4227.98  117.905  4133.77  121.812   65.987   0.9205   65.247   0.9618 0.7405472 1.331257 
1 1 1   16   10    7 o   8.2856   2.1081   55.459   43.063   50.384   57.711   61.834   64.685   7.9572   2.8908   8.6141   3.0691 -0.6568460 4.216218 
1 1 1   16   10    8 f   58.666   0.6751  3341.06   76.843  3307.27  106.660  3377.52  110.803   58.358   0.9415   58.974   0.9679 -0.6156883 1.350299 
1 1 1   16   10    9 o  107.998   0.9169 11332.32  192.059 11329.56  266.083 11335.33  277.500  107.987   1.2694  108.009   1.3235 -0.2278137E-01 1.833849 
1 1 1   16   10   10 o   90.417   0.8282  7937.30  145.309  8194.06  208.337  7694.08  202.773   91.840   1.1686   88.994   1.1738 2.846397 1.656312 
1 1 1   16   10   11 o  121.145   1.0014 14265.17  235.447 14254.31  330.001 14276.42  336.024  121.100   1.4038  121.191   1.4284 -0.9081268E-01 2.002711 
1 1 1   16   10   12 o   96.547   0.8949  9057.71  167.713  9190.82  238.752  8928.04  235.644   97.247   1.2647   95.847   1.2665 1.400459 1.789878 
1 1 1   16   10   13 o   10.255   2.2847  100.102   50.873   83.598   68.868  119.924   75.476   9.5127   3.1770   10.998   3.2842 -1.485204 4.569394 
1 1 1   16   10   14 o  100.746   0.9403  9869.61  183.894  9843.26  259.261  9896.29  260.877  100.611   1.3275  100.881   1.3322 -0.2700195 1.880651 
1 1 1   16   10   15 o   60.852   0.7657  3598.68   90.446  3560.69  127.545  3637.11  128.278   60.529   1.0855   61.175   1.0802 -0.6465607 1.531407 
1 1 1   16   10   16 o   75.830   0.8158  5590.41  120.078  5615.41  171.012  5566.09  168.644   75.997   1.1592   75.663   1.1482 0.3332138 1.631616 
1 1 1   16   10   17 o   77.263   0.8193  5804.07  122.846  5686.63  171.138  5928.90  176.445   76.458   1.1531   78.068   1.1643 -1.609917 1.638664 
1 1 1   16   10   18 o   38.628   0.9235  1453.94   69.227  1474.52   97.231  1432.77   98.587   38.907   1.2874   38.348   1.3244 0.5587654 1.846989 
1 1 1   16   10   19 o   17.637   1.6977  304.426   57.556  291.126   75.597  322.766   88.776   17.197   2.2646   18.076   2.5301 -0.8789387 3.395501 
1 1 1   16   10   20 o   27.096   1.2202  720.490   64.117  740.129   89.545  699.827   91.849   27.483   1.6785   26.710   1.7715 0.7731934 2.440379 
1 1 1   16   10   21 o   58.442   0.7969  3335.88   90.375  3391.18  126.880  3278.92  128.760   58.940   1.1090   57.945   1.1447 0.9946175 1.593804 
1 1 1   16   10   22 o   20.596   2.1878  487.532   68.600  532.143   79.391  356.069  136.287   23.196   1.7632   17.996   4.0045 5.199486 4.375500 
1 1 1   16   10   23 o   18.730   1.7234  353.029   61.876  283.395   84.546  433.350   90.802   16.695   2.6088   20.765   2.2526 -4.070023 3.446748 
1 1 1   16   10   24 o   34.349   1.0762  1172.51   71.471  1250.68   99.222  1088.21  103.035   35.580   1.4366   33.118   1.6027 2.462498 2.152324 
1 1 1   16   10   25 o   17.285   2.6779  366.706   89.113  461.707  114.762  222.437  141.423   20.956   2.8211   13.613   4.5526 7.343269 5.355861 
1 1 1   16   11    0 o   84.945   0.7335  7006.46  120.924  7004.98  169.228  7008.02  172.853   84.937   1.0264   84.954   1.0482 -0.1766968E-01 1.467008 
1 1 1   16   11    1 o  203.581   1.2728 40303.08  500.424 40514.30  675.377 40045.94  745.174  204.187   1.7039  202.975   1.8913 1.211716 2.545631 
1 1 1   16   11    2 o   91.276   0.7761  8084.19  137.300  7981.41  188.577  8200.15  200.297   90.660   1.0715   91.892   1.1229 -1.231758 1.552109 
1 1 1   16   11    3 o  102.481   0.8388 10175.20  166.485  9861.82  226.506 10543.45  245.533  100.771   1.1579  104.192   1.2140 -3.421394 1.677655 
1 1 1   16   11    4 o   88.473   0.8025  7601.17  137.798  7567.56  193.095  7636.05  196.706   88.274   1.1269   88.672   1.1428 -0.3977966 1.604928 
1 1 1   16   11    5 o   60.151   0.8013  3498.06   86.900  3471.38  104.783  3556.84  155.527   59.792   0.9028   60.510   1.3241 -0.7177086 1.602551 
1 1 1   16   11    6 o   84.732   0.7583  6975.50  124.613  7058.52  173.264  6886.54  179.352   85.255   1.0469   84.208   1.0972 1.047234 1.516555 
1 1 1   16   11    7 o   60.016   0.6647  3491.74   77.168  3428.72  104.459  3567.44  114.494   59.422   0.9056   60.610   0.9731 -1.187893 1.329321 
1 1 1   16   11    8 o   9.7217   2.0777   91.944   44.307  124.718   60.515   54.076   65.048   11.096   2.8074   8.3477   3.0635 2.748021 4.155323 
1 1 1   16   11    9 o   67.651   0.7010  4444.26   91.922  4434.13  126.609  4455.54  133.673   67.571   0.9653   67.732   1.0167 -0.1607819 1.401914 
1 1 1   16   11   10 o  185.670   1.2963 33535.25  467.182 33885.48  662.116 33188.01  659.284  186.637   1.8276  184.703   1.8388 1.933350 2.592514 
1 1 1   16   11   11 o  131.224   1.0448 16739.88  266.140 16688.91  374.211 16792.06  378.583  131.023   1.4713  131.426   1.4839 -0.4024658 2.089697 
1 1 1   16   11   12 o   29.000   0.9128  818.288   51.286  879.949   72.699  757.200   72.360   30.090   1.2446   27.910   1.3356 2.180269 1.825616 
1 1 1   16   11   13 o   34.491   0.8558  1147.53   57.078  1052.25   76.813  1265.00   85.292   32.904   1.2026   36.077   1.2179 -3.172699 1.711585 
1 1 1   16   11   14 o   11.474   2.1442  129.133   55.849  224.579   76.961   22.957   81.172   14.917   2.7595   8.0314   3.2827 6.885364 4.288453 
1 1 1   16   11   15 f   63.289   0.7503  3888.52   92.129  3728.33  128.020  4060.60  132.685   61.938   1.0648   64.640   1.0574 -2.701660 1.500632 
1 1 1   16   11   16 o   14.392   1.9651  208.855   53.416  261.928   76.163  157.478   74.936   16.365   2.3975   12.418   3.1143 3.947147 3.930218 
1 1 1   16   11   17 o   31.299   0.9948  953.895   60.276  957.752   88.687  950.583   82.172   31.354   1.4571   31.245   1.3548 0.1096363 1.989679 
1 1 1   16   11   18 o   56.328   0.7700  3088.04   84.127  2928.96  118.321  3250.68  119.637   54.858   1.1111   57.799   1.0663 -2.940613 1.539993 
1 1 1   16   11   19 o   18.624   1.6787  341.805   60.651  334.384   84.004  349.887   87.661   18.416   2.3498   18.832   2.3979 -0.4160175 3.357338 
1 1 1   16   11   20 o   23.985   1.3133  560.681   60.580  534.555   79.663  596.506   93.286   23.342   1.7581   24.627   1.9514 -1.284969 2.626560 
1 1 1   16   11   21 o   12.837   2.7369  140.851   70.491   87.598   83.235  275.927  132.563   9.7754   3.4816   15.898   4.2237 -6.122825 5.473742 
1 1 1   16   11   22 o   21.041   1.4796  444.646   59.929  495.677   83.348  390.027   86.229   22.344   1.9216   19.738   2.2505 2.605743 2.959289 
1 1 1   16   11   23 o   43.167   0.8777  1818.25   73.130  1737.10   97.510  1922.56  110.558   42.091   1.1934   44.244   1.2873 -2.153309 1.755385 
1 1 1   16   11   24 o   11.063   2.3245  123.621   59.525  211.604   85.838   42.117   82.617   13.891   3.2423   8.2346   3.3318 5.656823 4.649032 
1 1 1   16   11   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12    0 o   35.707   0.8592  1239.29   53.490  1240.64   63.064  1235.83  100.980   35.746   0.9088   35.668   1.4585 0.7879639E-01 1.718458 
1 1 1   16   12    1 f   27.941   0.7758  759.284   42.011  716.918   59.815  800.531   59.019   27.171   1.1341   28.712   1.0589 -1.541735 1.551591 
1 1 1   16   12    2 o   94.698   0.9645  8660.34  166.900  8562.80  203.551  8860.46  291.558   93.902   1.1167   95.495   1.5728 -1.593117 1.928928 
1 1 1   16   12    3 o  138.036   1.0169 18490.25  271.529 18277.88  367.848 18744.49  402.484  137.171   1.3815  138.901   1.4927 -1.730011 2.033884 
1 1 1   16   12    4 o  116.948   0.9158 13288.20  207.652 13347.22  287.047 13223.40  300.760  117.223   1.2615  116.673   1.3280 0.5497818 1.831600 
1 1 1   16   12    5 o   90.001   0.7907  7862.77  137.824  7809.16  188.335  7924.59  202.230   89.673   1.0819   90.329   1.1533 -0.6567535 1.581380 
1 1 1   16   12    6 o  119.167   0.9876 13784.40  227.920 13623.14  310.896 13971.78  335.120  118.418   1.3525  119.916   1.4397 -1.498253 1.975297 
1 1 1   16   12    7 o  105.484   0.8858 10809.12  181.374 10765.87  254.917 10853.46  258.116  105.271   1.2475  105.697   1.2580 -0.4265213 1.771657 
1 1 1   16   12    8 o   75.015   0.7355  5467.07  106.949  5500.49  147.694  5430.23  155.074   75.257   1.0110   74.772   1.0684 0.4849319 1.470919 
1 1 1   16   12    9 o   73.461   0.7257  5243.56  103.437  5334.94  144.907  5148.63  147.696   74.115   1.0072   72.807   1.0450 1.307434 1.451396 
1 1 1   16   12   10 o   38.398   0.7307  1432.58   54.413  1444.21   75.557  1420.06   78.428   38.561   1.0094   38.236   1.0567 0.3251266 1.461312 
1 1 1   16   12   11 o   85.963   0.8117  7177.21  135.395  7099.87  188.632  7259.40  194.455   85.486   1.1367   86.440   1.1589 -0.9534683 1.623321 
1 1 1   16   12   12 o   31.772   0.8635  982.154   53.194  948.551   76.196  1014.10   74.295   31.240   1.2565   32.304   1.1848 -1.063896 1.726969 
1 1 1   16   12   13 o   44.610   0.7740  1933.20   66.978  1922.55   92.910  1944.71   96.641   44.483   1.0760   44.737   1.1128 -0.2539673 1.547958 
1 1 1   16   12   14 o   28.584   1.0392  794.104   57.631  763.579   80.028  826.989   83.063   28.014   1.4716   29.155   1.4677 -1.140184 2.078415 
1 1 1   16   12   15 o   18.860   1.4008  346.907   51.245  330.253   72.224  363.791   72.721   18.402   2.0219   19.318   1.9393 -0.9154892 2.801553 
1 1 1   16   12   16 o   65.523   0.7632  4173.56   97.067  4212.12  137.525  4135.29  137.023   65.825   1.0763   65.221   1.0823 0.6036606 1.526346 
1 1 1   16   12   17 o   32.572   0.9947  1037.14   62.628  984.875   91.447  1083.30   85.946   31.790   1.4819   33.354   1.3274 -1.564049 1.989490 
1 1 1   16   12   18 o   13.951   2.0736  198.738   54.304  183.580   74.221  216.200   79.662   13.369   2.9400   14.534   2.9249 -1.165214 4.147103 
1 1 1   16   12   19 o   27.473   1.1184  738.765   59.578  708.241   84.944  768.321   83.585   26.908   1.6262   28.038   1.5357 -1.129845 2.236772 
1 1 1   16   12   20 o   27.733   1.1716  755.539   62.555  767.333   83.671  740.593   94.192   27.998   1.5395   27.469   1.7665 0.5290966 2.343220 
1 1 1   16   12   21 o   44.269   0.8587  1916.95   73.429  1924.85   99.189  1907.37  109.222   44.386   1.1512   44.151   1.2744 0.2346954 1.717372 
1 1 1   16   12   22 o   10.879   2.2336  113.015   57.220  209.096   82.056   22.068   79.834   14.018   3.0979   7.7403   3.2185 6.278065 4.467202 
1 1 1   16   12   23 o   16.000   2.1107  275.200   63.000  325.266   85.869  216.834   92.714   17.908   2.4702   14.092   3.4232 3.815742 4.221392 
1 1 1   16   12   24 o   23.804   1.4309  574.962   65.499  630.378   90.022  512.624   95.478   25.104   1.8473   22.505   2.1856 2.598949 2.861724 
1 1 1   16   12   25 o   13.341   2.5935  224.497   81.470  321.659  100.636   39.720  138.780   17.105   3.1469   9.5776   4.1234 7.527013 5.187001 
1 1 1   16   13    0 o  166.571   1.1632 26978.70  373.640 27122.08  501.268 26799.43  560.492  167.081   1.5455  166.061   1.7387 1.018936 2.326351 
1 1 1   16   13    1 o   56.627   0.6203  3109.25   68.092  3037.52   93.529  3190.15   99.326   55.934   0.8614   57.321   0.8927 -1.387402 1.240502 
1 1 1   16   13    2 o   89.574   0.7730  7791.87  134.216  7795.74  185.024  7787.58  194.987   89.599   1.0638   89.550   1.1217 0.4934692E-01 1.545920 
1 1 1   16   13    3 o   78.369   0.7176  5954.09  108.914  5827.30  148.394  6102.15  160.356   77.467   0.9868   79.271   1.0421 -1.803848 1.435178 
1 1 1   16   13    4 o  133.114   1.0304 17218.35  266.196 17338.85  373.278 17093.66  379.721  133.590   1.4394  132.639   1.4748 0.9512177 2.060823 
1 1 1   16   13    5 o   79.327   0.7262  6112.29  111.785  6167.45  156.241  6054.44  160.001   79.694   1.0100   78.959   1.0439 0.7348251 1.452489 
1 1 1   16   13    6 o  111.362   0.8956 12042.86  193.234 11979.70  264.892 12114.69  282.506  111.053   1.2288  111.671   1.3032 -0.6182327 1.791181 
1 1 1   16   13    7 o  123.227   1.0305 14758.24  246.428 14800.53  344.514 14713.95  352.631  123.410   1.4381  123.044   1.4764 0.3656387 2.061024 
1 1 1   16   13    8 o   24.486   0.9741  583.544   46.047  591.831   62.203  573.496   68.491   24.681   1.2984   24.292   1.4525 0.3885021 1.948170 
1 1 1   16   13    9 o   32.641   0.8209  1038.40   51.727  1072.08   70.258  998.533   76.439   33.222   1.0894   32.059   1.2283 1.163136 1.641824 
1 1 1   16   13   10 o   69.941   0.7143  4746.71   96.924  4952.45  139.444  4554.40  134.815   71.406   1.0060   68.476   1.0142 2.930138 1.428526 
1 1 1   16   13   11 f   54.980   0.7044  2931.73   75.101  2841.79  103.407  3032.11  109.250   54.090   0.9849   55.871   1.0073 -1.780937 1.408773 
1 1 1   16   13   12 o   81.281   0.8068  6420.00  127.295  6485.06  180.175  6355.18  179.870   81.693   1.1362   80.870   1.1458 0.8229980 1.613609 
1 1 1   16   13   13 o   77.882   0.7976  5894.45  120.580  5968.44  170.469  5820.35  170.584   78.371   1.1205   77.392   1.1355 0.9796600 1.595272 
1 1 1   16   13   14 o   9.0848   2.2807   67.133   51.228   93.864   74.294   42.905   70.732  10.0000   3.2980   8.1694   3.1511 1.830845 4.561394 
1 1 1   16   13   15 o   28.838   1.0060  809.299   56.303  790.930   79.733  827.568   79.517   28.511   1.4407   29.165   1.4045 -0.6546669 2.012019 
1 1 1   16   13   16 o   68.473   0.7836  4558.20  104.142  4638.10  148.077  4480.00  146.495   69.067   1.1045   67.879   1.1118 1.188103 1.567125 
1 1 1   16   13   17 o   65.000   0.7909  4110.74   99.796  4108.81  141.590  4112.65  140.681   64.984   1.1224   65.016   1.1147 -0.3146362E-01 1.581887 
1 1 1   16   13   18 o   61.291   0.7916  3651.52   94.114  3499.61  130.192  3817.77  136.206   59.958   1.1186   62.624   1.1205 -2.665874 1.583246 
1 1 1   16   13   19 o   54.935   0.7932  2938.02   84.524  2884.35  116.891  2996.83  122.369   54.412   1.1067   55.457   1.1367 -1.045048 1.586443 
1 1 1   16   13   20 o   25.512   1.2051  645.502   58.948  541.549   84.610  743.557   82.174   23.469   1.8572   27.556   1.5362 -4.086929 2.410241 
1 1 1   16   13   21 o   8.1243   2.3321   31.892   58.054   51.532   79.274   9.1756   85.255   8.5539   3.3258   7.6948   3.2701 0.8591838 4.664141 
1 1 1   16   13   22 o   45.913   0.8317  2053.39   73.882  1943.83   99.662  2187.05  110.084   44.568   1.1520   47.258   1.2000 -2.689548 1.663447 
1 1 1   16   13   23 f   28.351   1.1284  793.326   62.014  852.426   90.046  740.005   85.530   29.358   1.5801   27.343   1.6114 2.014547 2.256807 
1 1 1   16   13   24 o   24.053   1.4281  581.752   66.612  566.429   91.759  598.824   96.856   23.731   1.9919   24.376   2.0469 -0.6452637 2.856154 
1 1 1   16   13   25 o   9.3028   3.8434   58.685  112.792   58.685  112.792   0.0000   0.0000   9.3028   3.8434  ?   ?       ?      ? 
1 1 1   16   14    0 o  144.012   1.0608 20128.75  295.786 19881.18  402.936 20418.05  435.577  143.057   1.4510  144.967   1.5479 -1.909729 2.121608 
1 1 1   16   14    1 o   67.907   0.6569  4463.25   86.304  4314.96  116.604  4642.90  128.345   66.664   0.9011   69.150   0.9561 -2.485352 1.313818 
1 1 1   16   14    2 o   43.714   0.6244  1850.18   52.803  1795.93   71.358  1915.83   78.503   43.009   0.8547   44.420   0.9104 -1.411526 1.248758 
1 1 1   16   14    3 f   17.333   1.2266  293.623   40.983  309.068   55.723  275.425   60.487   17.834   1.6096   16.832   1.8513 1.001942 2.453177 
1 1 1   16   14    4 o   48.080   0.6254  2248.05   58.196  2294.88   79.773  2194.78   85.088   48.617   0.8453   47.543   0.9220 1.073692 1.250812 
1 1 1   16   14    5 o  139.809   1.0646 18992.95  288.831 18979.65  402.981 19007.00  414.185  139.761   1.4854  139.858   1.5256 -0.9642029E-01 2.129271 
1 1 1   16   14    6 o   39.158   0.6902  1486.60   52.422  1427.55   72.348  1551.88   76.064   38.341   0.9721   39.975   0.9802 -1.634491 1.380496 
1 1 1   16   14    7 o   43.064   0.6620  1799.44   55.299  1764.33   76.489  1837.90   80.041   42.625   0.9244   43.503   0.9478 -0.8789825 1.323983 
1 1 1   16   14    8 o   41.252   0.6935  1649.20   55.378  1608.74   75.179  1697.20   81.883   40.701   0.9515   41.803   1.0091 -1.102448 1.386957 
1 1 1   16   14    9 o   35.104   0.7882  1196.80   53.649  1191.61   73.989  1202.55   77.905   35.025   1.0882   35.184   1.1407 -0.1590881 1.576499 
1 1 1   16   14   10 o   58.605   0.6903  3334.88   78.463  3314.81  108.565  3356.83  113.527   58.421   0.9573   58.788   0.9948 -0.3675499 1.380622 
1 1 1   16   14   11 o  111.445   0.9351 12066.44  202.245 12425.16  289.205 11723.12  282.932  113.066   1.3177  109.825   1.3271 3.241699 1.870178 
1 1 1   16   14   12 o   11.882   2.2511  143.073   52.823  144.199   71.346  141.708   78.582   11.913   3.0669   11.851   3.2961 0.6282043E-01 4.502239 
1 1 1   16   14   13 o   49.610   0.7405  2392.04   71.261  2410.58   99.097  2372.19  102.549   49.810   1.0249   49.410   1.0692 0.4004631 1.481061 
1 1 1   16   14   14 o   98.158   0.9174  9368.35  174.784  9310.81  245.319  9427.66  249.087   97.853   1.2915   98.463   1.3032 -0.6104507 1.834752 
1 1 1   16   14   15 o   7.5029   2.2420   4.8377   56.146   7.7745   78.334   1.7350   80.517   7.5250   3.1628   7.4807   3.1785 0.4428196E-01 4.483984 
1 1 1   16   14   16 o   50.206   0.9017  2470.35   86.032  2360.75  134.657  2545.95  111.833   49.245   1.4087   51.167   1.1259 -1.922722 1.803341 
1 1 1   16   14   17 o  118.670   1.0856 13733.54  250.078 13690.33  352.352 13777.41  354.989  118.483   1.5320  118.856   1.5386 -0.3737869 2.171244 
1 1 1   16   14   18 o   32.808   1.0350  1045.17   65.531  1005.86   87.411  1095.62   99.020   32.114   1.4022   33.502   1.5226 -1.387722 2.069925 
1 1 1   16   14   19 o   17.794   1.8290  326.925   59.625  383.384   80.490  258.265   88.761   19.739   2.1007   15.850   2.9947 3.889117 3.658030 
1 1 1   16   14   20 f   59.798   0.7820  3480.31   90.675  3641.22  132.130  3337.08  124.663   61.100   1.1140   58.496   1.0978 2.603245 1.564082 
1 1 1   16   14   21 o   14.458   2.0833  216.857   57.463  170.726   80.211  265.494   82.361   12.672   3.2462   16.244   2.6119 -3.571589 4.166545 
1 1 1   16   14   22 o   20.654   1.5527  425.569   62.180  403.426   85.565  450.350   90.516   20.086   2.1945   21.222   2.1973 -1.135241 3.105425 
1 1 1   16   14   23 o   27.141   1.1895  732.654   62.169  849.071   88.872  621.096   86.998   29.299   1.5626   24.984   1.7938 4.314447 2.378985 
1 1 1   16   14   24 o   23.639   1.3633  561.945   62.062  567.174   83.005  555.315   93.459   23.817   1.7954   23.462   2.0521 0.3552799 2.726594 
1 1 1   16   14   25 o   9.6234   3.8641   76.968  110.209   76.968  110.209   0.0000   0.0000   9.6234   3.8641  ?   ?       ?      ? 
1 1 1   16   15    0 o   30.242   0.7339  879.922   42.838  815.502   56.969  963.743   64.983   28.980   1.0127   31.503   1.0626 -2.523344 1.467884 
1 1 1   16   15    1 f   35.103   0.6850  1181.65   46.298  1086.60   60.911  1311.70   71.248   33.453   0.9380   36.754   0.9986 -3.301094 1.370063 
1 1 1   16   15    2 f   36.180   0.6732  1272.07   46.552  1277.04   60.799  1265.04   72.370   36.267   0.8636   36.093   1.0329 0.1735382 1.346394 
1 1 1   16   15    3 o  179.132   1.2136 31201.22  420.582 31336.06  572.572 31043.21  619.819  179.564   1.6427  178.701   1.7868 0.8626251 2.427125 
1 1 1   16   15    4 o   31.727   0.8839  955.608   51.389  913.656   62.401  1044.03   90.592   30.673   1.0480   32.781   1.4236 -2.108007 1.767795 
1 1 1   16   15    5 o   65.049   0.6718  4096.56   84.550  3964.98  114.318  4255.44  125.623   63.901   0.9216   66.198   0.9776 -2.297321 1.343521 
1 1 1   16   15    6 o   95.308   0.8220  8820.94  152.033  8712.87  212.137  8935.06  217.997   94.709   1.1539   95.908   1.1709 -1.198868 1.643937 
1 1 1   16   15    7 o   41.393   0.6558  1659.56   52.619  1584.78   72.084  1744.85   76.986   40.397   0.9192   42.388   0.9356 -1.990803 1.311618 
1 1 1   16   15    8 o   28.730   0.8571  803.139   47.670  820.825   65.489  783.207   69.522   29.068   1.1606   28.392   1.2614 0.6761303 1.714108 
1 1 1   16   15    9 o   70.141   0.7229  4775.55   98.352  4707.10  136.116  4850.33  142.269   69.616   1.0072   70.666   1.0371 -1.049736 1.445755 
1 1 1   16   15   10 o  119.233   0.9706 13817.74  224.608 14178.27  318.674 13461.83  316.624  120.780   1.3592  117.686   1.3860 3.094322 1.941224 
1 1 1   16   15   11 o   52.168   0.7028  2642.23   71.153  2574.48   99.338  2713.61  101.964   51.481   0.9940   52.854   0.9938 -1.372738 1.405619 
1 1 1   16   15   12 o   90.296   0.8617  7925.40  151.027  7980.53  212.330  7868.93  214.863   90.616   1.2071   89.977   1.2302 0.6381760 1.723484 
1 1 1   16   15   13 o   58.030   0.8282  3249.24   90.034  3363.68  149.425  3184.00  112.812   58.816   1.3088   57.244   1.0152 1.571899 1.656356 
1 1 1   16   15   14 o   28.970   1.0038  815.282   56.407  775.461   78.246  858.368   81.391   28.234   1.4277   29.705   1.4115 -1.471725 2.007619 
1 1 1   16   15   15 o   40.844   0.9614  1636.58   74.770  1548.77  115.999  1699.00   97.797   39.889   1.4981   41.800   1.2053 -1.910988 1.922740 
1 1 1   16   15   16 o   14.084   2.1604  204.530   57.135  220.201   76.828  185.138   85.462   14.736   2.7879   13.432   3.3011 1.303613 4.320818 
1 1 1   16   15   17 o   32.550   1.0234  1027.54   64.492  954.633   87.517  1114.19   95.403   31.294   1.4407   33.806   1.4538 -2.512812 2.046722 
1 1 1   16   15   18 o   18.367   1.6866  337.875   58.912  369.054   78.346  297.308   89.366   19.391   2.0814   17.344   2.6544 2.046991 3.373127 
1 1 1   16   15   19 o   69.456   0.7995  4700.44  107.785  4787.00  153.754  4616.81  151.141   70.084   1.1302   68.827   1.1312 1.257370 1.599054 
1 1 1   16   15   20 o   27.329   1.1586  731.097   61.354  701.012   83.720  765.998   90.173   26.728   1.6136   27.930   1.6632 -1.201992 2.317275 
1 1 1   16   15   21 o   32.927   0.9665  1063.36   61.772  1047.39   87.274  1079.39   87.445   32.677   1.3759   33.177   1.3578 -0.4999619 1.933028 
1 1 1   16   15   22 o   38.251   0.9248  1433.67   68.609  1352.28   95.236  1521.48   98.923   37.120   1.3217   39.382   1.2940 -2.262775 1.849675 
1 1 1   16   15   23 o   21.770   1.8560  513.635   72.062  579.306   90.193  397.717  119.829   24.072   1.9302   19.469   3.1707 4.602993 3.712032 
1 1 1   16   15   24 o   18.138   1.7257  334.048   60.369  369.116   91.970  307.500   80.021   18.941   2.5014   17.335   2.3780 1.605644 3.451375 
1 1 1   16   15   25 o   28.753   2.2336  850.357  124.665  850.357  124.665   0.0000   0.0000   28.753   2.2336  ?   ?       ?      ? 
1 1 1   16   16    0 f  130.301   0.9732 16485.25  245.407 16395.35  333.815 16590.97  362.014  129.919   1.3236  130.683   1.4271 -0.7643738 1.946411 
1 1 1   16   16    1 o   76.060   0.7094  5615.88  104.592  5585.85  143.992  5649.42  152.178   75.845   0.9780   76.274   1.0278 -0.4286423 1.418761 
1 1 1   16   16    2 o   28.243   0.7876  773.663   42.615  768.406   55.827  781.004   65.967   28.130   1.0224   28.357   1.1984 -0.2269726 1.575261 
1 1 1   16   16    3 o   96.203   0.8141  8977.20  151.530  8853.56  205.450  9124.69  224.393   95.480   1.1085   96.926   1.1926 -1.446365 1.628217 
1 1 1   16   16    4 o   84.867   0.7655  6972.47  125.572  6768.76  168.879  7224.37  187.796   83.487   1.0421   86.247   1.1217 -2.760315 1.531042 
1 1 1   16   16    5 o   98.598   0.8438  9441.98  161.457  9388.06  225.588  9498.60  231.183   98.310   1.1821   98.886   1.2044 -0.5755539 1.687555 
1 1 1   16   16    6 o   71.394   0.6918  4950.39   95.865  4978.11  134.984  4922.18  136.171   71.596   0.9712   71.192   0.9853 0.4039383 1.383547 
1 1 1   16   16    7 o   89.469   0.7843  7775.30  136.207  7786.26  192.426  7764.29  192.826   89.533   1.1072   89.406   1.1110 0.1266632 1.568525 
1 1 1   16   16    8 o  126.209   1.0468 15479.54  256.430 15298.31  359.335 15667.61  366.052  125.457   1.4755  126.961   1.4853 -1.504059 2.093594 
1 1 1   16   16    9 o   88.322   0.7972  7577.67  136.662  7558.02  191.451  7598.08  195.142   88.206   1.1181   88.438   1.1367 -0.2321396 1.594470 
1 1 1   16   16   10 o   23.806   1.1344  555.312   52.023  611.172   71.970  494.186   75.285   25.073   1.4787   22.539   1.7207 2.533619 2.268785 
1 1 1   16   16   11 o  107.946   0.9137 11326.74  191.456 11377.92  269.652 11274.71  271.881  108.193   1.2839  107.699   1.3005 0.4938965 1.827477 
1 1 1   16   16   12 o   71.959   0.7602  5032.99  106.125  5092.50  148.053  4970.09  152.201   72.398   1.0535   71.519   1.0963 0.8784409 1.520420 
1 1 1   16   16   13 o   85.891   0.8390  7168.30  139.857  6991.08  195.426  7354.35  200.237   84.804   1.1871   86.979   1.1859 -2.175491 1.678029 
1 1 1   16   16   14 o   39.177   0.9420  1489.63   70.650  1511.31  109.737  1474.29   92.330   39.414   1.4343   38.941   1.2214 0.4732285 1.883913 
1 1 1   16   16   15 o   60.016   0.7505  3498.07   87.258  3454.81  119.266  3547.91  127.999   59.620   1.0305   60.413   1.0915 -0.7928200 1.501099 
1 1 1   16   16   16 o   14.849   2.0758  219.920   58.607  178.940   80.067  267.218   86.018   13.206   3.1647   16.491   2.6871 -3.284791 4.151573 
1 1 1   16   16   17 o   51.383   0.7923  2568.06   78.924  2541.64  108.576  2597.66  114.924   51.106   1.0944   51.660   1.1460 -0.5537491 1.584663 
1 1 1   16   16   18 o   44.226   0.8135  1904.38   69.815  1873.56   97.110  1937.34  100.440   43.858   1.1407   44.595   1.1603 -0.7374992 1.627048 
1 1 1   16   16   19 o   19.032   1.5843  356.561   58.409  325.849   80.633  390.468   84.723   18.165   2.2867   19.898   2.1934 -1.733374 3.168601 
1 1 1   16   16   20 o   17.454   1.7809  301.065   60.035  267.770   80.515  342.755   90.096   16.376   2.5329   18.533   2.5043 -2.157362 3.561889 
1 1 1   16   16   21 o   26.691   1.2069  702.370   62.488  674.300   86.544  732.943   90.320   26.135   1.7059   27.247   1.7076 -1.112307 2.413725 
1 1 1   16   16   22 o   31.322   0.9771  964.289   59.407  964.203   83.771  964.376   84.261   31.322   1.3778   31.323   1.3858 -0.5283356E-03 1.954150 
1 1 1   16   16   23 o   12.956   2.3532  185.367   60.703  231.097   85.037  137.853   86.680   14.629   3.0914   11.283   3.5489 3.345656 4.706491 
1 1 1   16   16   24 o   22.389   1.8693  520.712   74.458  522.116   89.430  517.540  134.424   22.737   2.0262   22.041   3.1418 0.6955223 3.738523 
1 1 1   16   16   25 o   25.760   2.4658  691.733  123.303  691.733  123.303   0.0000   0.0000   25.760   2.4658  ?   ?       ?      ? 
1 1 1   16   17    0 o  119.230   0.9428 13809.01  217.580 13806.57  296.688 13811.84  320.048  119.222   1.2820  119.237   1.3827 -0.1518250E-01 1.885579 
1 1 1   16   17    1 o   74.790   0.6920  5434.65  100.314  5491.69  138.511  5371.73  145.476   75.204   0.9488   74.376   1.0076 0.8279953 1.384024 
1 1 1   16   17    2 o   58.214   0.6315  3283.48   71.160  3203.29   96.569  3378.76  105.262   57.438   0.8661   58.989   0.9193 -1.550800 1.263001 
1 1 1   16   17    3 o  118.874   0.9422 13729.59  217.200 13775.26  300.787 13679.84  313.971  119.083   1.3012  118.665   1.3630 0.4179688 1.884392 
1 1 1   16   17    4 o  132.828   1.0091 17147.91  259.658 17218.00  356.318 17068.56  379.169  133.123   1.3789  132.534   1.4738 0.5885925 2.018258 
1 1 1   16   17    5 o   92.580   0.8012  8325.91  143.963  8351.65  201.783  8299.22  205.455   92.727   1.1210   92.434   1.1450 0.2930298 1.602435 
1 1 1   16   17    6 o  102.233   0.8835 10152.79  175.322 10087.18  245.862 10220.67  250.079  101.897   1.2430  102.568   1.2560 -0.6710281 1.767089 
1 1 1   16   17    7 o   19.359   1.1500  364.325   43.214  369.421   61.489  359.352   60.745   19.493   1.6250   19.226   1.6277 0.2675247 2.299997 
1 1 1   16   17    8 o   36.642   0.7325  1304.09   52.099  1327.65   73.853  1280.75   73.508   36.972   1.0290   36.312   1.0428 0.6592216 1.465066 
1 1 1   16   17    9 o   47.212   0.6798  2165.94   62.257  2197.95   86.813  2132.05   89.329   47.572   0.9401   46.852   0.9822 0.7199059 1.359586 
1 1 1   16   17   10 o  102.451   0.8804 10200.05  175.071 10206.92  245.769 10192.97  249.447  102.487   1.2354  102.415   1.2547 0.7199860E-01 1.760811 
1 1 1   16   17   11 o   20.266   1.3410  406.281   51.524  306.939   72.958  505.127   72.776   17.747   2.1178   22.785   1.6454 -5.038118 2.681921 
1 1 1   16   17   12 o   85.134   0.8381  7042.48  138.480  6980.78  193.438  7107.34  198.333   84.753   1.1758   85.516   1.1948 -0.7630386 1.676283 
1 1 1   16   17   13 o   77.954   0.9574  5926.66  138.506  5854.26  232.237  5966.62  172.553   77.559   1.5425   78.348   1.1346 -0.7890930 1.914838 
1 1 1   16   17   14 o   63.301   0.7612  3888.81   93.337  3812.01  127.325  3978.02  137.226   62.629   1.0473   63.974   1.1050 -1.344456 1.522468 
1 1 1   16   17   15 o   51.671   0.7684  2604.25   76.686  2697.15  104.506  2495.88  112.878   52.677   1.0220   50.664   1.1477 2.013084 1.536819 
1 1 1   16   17   16 o   33.314   0.9637  1077.68   62.219  1000.02   85.571  1164.80   90.627   32.043   1.3757   34.585   1.3499 -2.541576 1.927408 
1 1 1   16   17   17 o   71.865   0.7739  5023.75  107.938  5136.77  154.851  4916.94  150.535   72.650   1.0980   71.080   1.0910 1.570259 1.547887 
1 1 1   16   17   18 o   40.609   0.8135  1607.49   64.084  1579.36   91.836  1634.18   89.466   40.259   1.1751   40.959   1.1252 -0.6995544 1.626996 
1 1 1   16   17   19 o   26.567   1.1439  691.116   58.987  677.191   82.658  705.567   84.204   26.295   1.6194   26.840   1.6161 -0.5457420 2.287873 
1 1 1   16   17   20 o   32.637   1.0171  1040.93   64.335  988.953   87.998  1100.62   94.296   31.767   1.4270   33.507   1.4497 -1.740370 2.034252 
1 1 1   16   17   21 o   18.781   1.6716  353.023   60.711  312.666   83.666  397.905   88.233   17.629   2.4449   19.933   2.2803 -2.304152 3.343261 
1 1 1   16   17   22 f   23.556   1.3405  552.084   61.266  547.997   87.789  555.964   85.542   23.461   1.9276   23.651   1.8632 -0.1894283 2.680919 
1 1 1   16   17   23 o   9.9442   2.4714   99.281   59.116   96.392   86.190  101.846   81.236   9.8937   3.5409   9.9947   3.4487 -0.1010113 4.942804 
1 1 1   16   17   24 o   23.097   1.6965  560.765   73.205  490.966  115.739  607.310   94.513   21.669   2.7516   24.525   1.9852 -2.856796 3.392980 
1 1 1   16   17   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18    0 o   78.547   0.7074  5991.62  107.747  6001.77  149.138  5980.55  155.839   78.618   0.9772   78.477   1.0230 0.1408691 1.414742 
1 1 1   16   18    1 o   50.797   0.6119  2503.15   60.181  2476.42   81.974  2534.40   88.632   50.503   0.8362   51.090   0.8937 -0.5864983 1.223869 
1 1 1   16   18    2 o   24.435   0.8763  576.503   41.205  555.197   54.367  605.260   63.162   23.909   1.1714   24.962   1.3035 -1.052675 1.752537 
1 1 1   16   18    3 o  167.104   1.1615 27154.75  375.111 27294.87  507.871 26986.56  556.422  167.590   1.5611  166.618   1.7204 0.9718170 2.323091 
1 1 1   16   18    4 o  101.717   0.8565 10033.82  168.947  9699.09  232.490 10408.38  245.932   99.923   1.1986  103.511   1.2240 -3.587387 1.713091 
1 1 1   16   18    5 o   72.190   0.6972  5060.75   97.656  5049.68  135.843  5072.58  140.487   72.109   0.9705   72.271   1.0014 -0.1619644 1.394491 
1 1 1   16   18    6 o   21.609   1.0737  455.095   44.829  468.169   61.065  439.812   66.022   21.949   1.4332   21.270   1.5990 0.6784134 2.147322 
1 1 1   16   18    7 o   66.746   0.6954  4326.41   90.091  4383.67  127.980  4270.15  126.842   67.184   0.9813   66.308   0.9854 0.8758011 1.390713 
1 1 1   16   18    8 o   51.053   0.6536  2531.07   64.769  2544.65   92.263  2517.88   90.945   51.188   0.9285   50.918   0.9201 0.2697105 1.307204 
1 1 1   16   18    9 o   72.255   0.7303  5069.94  102.414  4994.16  143.345  5148.96  146.374   71.704   1.0299   72.806   1.0357 -1.102486 1.460563 
1 1 1   16   18   10 o   48.954   0.7140  2328.14   67.766  2331.59   93.598  2324.32   98.241   48.993   0.9842   48.915   1.0346 0.7853699E-01 1.427954 
1 1 1   16   18   11 o   68.217   0.7361  4522.68   97.439  4596.97  136.780  4446.14  138.842   68.787   1.0244   67.647   1.0573 1.140053 1.472160 
1 1 1   16   18   12 o   37.079   0.9504  1318.20   67.211  1433.45  107.194  1243.54   86.277   38.391   1.4384   35.766   1.2427 2.624073 1.900845 
1 1 1   16   18   13 o  120.800   1.0879 14200.28  255.080 14159.96  358.175 14241.78  363.355  120.628   1.5296  120.972   1.5473 -0.3443604 2.175760 
1 1 1   16   18   14 o   39.559   0.8546  1526.98   65.225  1575.89   88.340  1468.37   96.713   40.263   1.1303   38.856   1.2822 1.406509 1.709273 
1 1 1   16   18   15 o   63.655   0.9380  3952.72  107.511  3969.28  129.880  3916.66  191.616   63.898   1.0471   63.412   1.5567 0.4865570 1.876070 
1 1 1   16   18   16 o   25.985   1.0971  656.623   55.226  686.533   81.289  630.983   75.262   26.531   1.5784   25.439   1.5241 1.091803 2.194129 
1 1 1   16   18   17 o   49.400   0.7683  2375.36   73.649  2287.84  103.770  2464.19  104.546   48.481   1.1026   50.319   1.0703 -1.837891 1.536688 
1 1 1   16   18   18 o   41.478   0.9412  1670.76   73.181  1709.21  120.896  1648.52   91.938   41.825   1.4891   41.131   1.1515 0.6943054 1.882354 
1 1 1   16   18   19 o   31.670   0.9785  984.505   59.890  916.265   86.799  1046.51   82.741   30.606   1.4610   32.735   1.3021 -2.129173 1.957014 
1 1 1   16   18   20 o   27.779   1.1173  760.406   60.071  719.003   86.688  798.652   83.318   27.034   1.6519   28.524   1.5047 -1.490753 2.234503 
1 1 1   16   18   21 o   45.744   0.8312  2048.12   73.732  2041.71  101.876  2055.17  106.846   45.677   1.1490   45.810   1.2015 -0.1327744 1.662461 
1 1 1   16   18   22 o   18.839   1.6580  362.741   59.766  404.960   81.593  313.867   87.789   20.111   2.0900   17.566   2.5745 2.544464 3.316074 
1 1 1   16   18   23 o   26.862   1.1919  722.371   61.690  666.897   90.528  770.464   84.290   25.845   1.8045   27.878   1.5576 -2.033655 2.383708 
1 1 1   16   18   24 o   15.163   2.4671  272.239   73.568  174.516  115.002  339.931   95.714   12.313   4.1053   18.013   2.7374 -5.699391 4.934196 
1 1 1   16   19    0 o   79.392   0.7165  6104.72  110.168  5897.73  149.899  6347.86  162.462   77.933   0.9909   80.850   1.0352 -2.917610 1.432948 
1 1 1   16   19    1 o   58.741   0.6277  3344.69   71.433  3264.57   97.572  3437.24  104.866   57.985   0.8668   59.498   0.9080 -1.512657 1.255322 
1 1 1   16   19    2 o   54.513   0.6312  2880.67   66.671  2810.32   91.163  2961.56   97.755   53.799   0.8729   55.227   0.9119 -1.427650 1.262337 
1 1 1   16   19    3 o  111.759   0.9015 12131.84  195.213 12099.05  267.898 12168.96  285.046  111.601   1.2366  111.917   1.3121 -0.3158569 1.802973 
1 1 1   16   19    4 o   36.281   0.8369  1284.03   55.533  1294.85   68.115  1262.58   95.898   36.515   0.9610   36.047   1.3705 0.4681511 1.673836 
1 1 1   16   19    5 o   43.242   0.6370  1820.20   53.273  1876.37   72.992  1756.18   77.929   43.959   0.8554   42.525   0.9440 1.433277 1.273930 
1 1 1   16   19    6 o   45.247   0.6788  1987.77   59.555  1978.43   82.280  1998.06   86.312   45.136   0.9391   45.358   0.9803 -0.2222290 1.357514 
1 1 1   16   19    7 o   87.921   0.7854  7507.01  133.992  7445.92  186.584  7572.07  192.544   87.552   1.0978   88.289   1.1235 -0.7368774 1.570806 
1 1 1   16   19    8 o   55.847   0.6810  3029.43   73.784  3037.82  102.683  3020.46  106.093   55.928   0.9458   55.766   0.9801 0.1613770 1.362012 
1 1 1   16   19    9 o   93.536   0.8306  8497.90  150.790  8688.49  215.460  8314.92  211.106   94.564   1.1738   92.508   1.1756 2.055397 1.661235 
1 1 1   16   19   10 o   25.719   1.0075  641.209   50.221  605.199   68.798  682.284   73.479   24.949   1.4206   26.490   1.4290 -1.541000 2.014940 
1 1 1   16   19   11 o   32.668   1.0123  1036.63   63.653  1046.56   96.721  1029.04   84.541   32.802   1.5190   32.534   1.3386 0.2680244 2.024652 
1 1 1   16   19   12 o   32.079   0.8887  1001.28   55.292  1042.86   77.885  959.037   78.507   32.752   1.2250   31.406   1.2878 1.346485 1.777383 
1 1 1   16   19   13 o   64.592   0.9069  4044.94  110.429  4106.61  179.581  4007.44  140.035   64.973   1.4238   64.211   1.1235 0.7617874 1.813706 
1 1 1   16   19   14 o   22.995   1.5489  519.004   64.028  523.451   77.354  509.329  114.108   23.179   1.7192   22.811   2.5770 0.3683853 3.097777 
1 1 1   16   19   15 o   43.225   0.7737  1814.85   64.864  1767.45   89.591  1867.06   94.035   42.634   1.0825   43.817   1.1056 -1.183205 1.547301 
1 1 1   16   19   16 o   8.4207   2.0539   33.463   50.278  125.299   69.975 -64.5535   72.291   11.096   3.1189   5.7454   2.6731 5.350459 4.107721 
1 1 1   16   19   17 o   27.050   1.1507  720.354   59.957  789.673   82.769  643.816   86.972   28.443   1.4991   25.657   1.7463 2.786551 2.301450 
1 1 1   16   19   18 o   26.866   1.1578  706.343   60.377  694.095   84.924  718.862   85.857   26.630   1.6429   27.102   1.6320 -0.4724407 2.315662 
1 1 1   16   19   19 f   39.125   0.8800  1495.42   66.801  1531.76   93.856  1458.11   95.098   39.611   1.2206   38.638   1.2679 0.9728966 1.759975 
1 1 1   16   19   20 o   30.018   1.0239  883.862   59.642  916.513   85.192  852.477   83.526   30.564   1.4359   29.472   1.4600 1.092419 2.047761 
1 1 1   16   19   21 o   26.271   1.1548  680.913   58.544  682.056   87.695  679.993   78.632   26.268   1.7198   26.275   1.5417 -0.7015228E-02 2.309667 
1 1 1   16   19   22 o   21.292   1.5003  454.375   61.943  426.059   86.007  484.891   89.286   20.594   2.1514   21.990   2.0916 -1.396303 3.000602 
1 1 1   16   19   23 f   26.883   1.2547  721.464   65.421  684.788   92.004  758.974   93.044   26.176   1.8107   27.589   1.7373 -1.413021 2.509360 
1 1 1   16   19   24 o   48.065   1.1953  2285.66  110.189  2145.61  143.427  2487.39  172.134   46.371   1.5934   49.758   1.7821 -3.386818 2.390560 
1 1 1   16   20    0 o   42.623   0.6203  1763.69   51.124  1760.87   69.287  1767.06   75.746   42.586   0.8381   42.660   0.9147 -0.7335663E-01 1.240624 
1 1 1   16   20    1 o  168.168   1.1803 27480.97  383.642 27407.42  518.773 27569.74  569.932  167.930   1.5914  168.405   1.7434 -0.4743042 2.360537 
1 1 1   16   20    2 o   29.314   0.7753  836.785   43.600  849.515   57.672  819.805   66.609   29.576   1.0045   29.051   1.1811 0.5249386 1.550520 
1 1 1   16   20    3 o   54.209   0.6222  2851.70   65.448  2792.41   90.983  2915.28   94.217   53.626   0.8740   54.792   0.8858 -1.166790 1.244422 
1 1 1   16   20    4 o  134.567   1.0609 17604.57  276.521 17674.05  379.210 17525.68  404.096  134.857   1.4486  134.277   1.5503 0.5797272 2.121752 
1 1 1   16   20    5 o   72.890   0.7065  5159.83   99.932  5159.71  139.508  5159.96  143.217   72.889   0.9860   72.890   1.0122 -0.5798340E-03 1.413044 
1 1 1   16   20    6 o  123.407   0.9693 14790.54  232.093 14509.13  322.543 15092.71  334.226  122.192   1.3598  124.623   1.3816 -2.430733 1.938525 
1 1 1   16   20    7 o   71.249   0.7220  4931.21   99.851  4973.09  140.498  4888.46  141.933   71.555   1.0115   70.943   1.0306 0.6124420 1.444071 
1 1 1   16   20    8 o   19.740   1.1983  381.271   45.637  408.652   62.736  350.496   66.510   20.500   1.5765   18.980   1.8052 1.520081 2.396647 
1 1 1   16   20    9 o   56.953   0.6753  3149.67   74.550  3133.87  102.591  3167.34  108.517   56.803   0.9304   57.104   0.9790 -0.3004913 1.350570 
1 1 1   16   20   10 o   18.901   1.5059  371.562   51.577  262.166   80.978  446.231   66.902   16.386   2.5459   21.416   1.6093 -5.030302 3.011840 
1 1 1   16   20   11 f   70.749   0.7441  4864.79  102.156  4925.20  142.983  4801.79  146.004   71.199   1.0345   70.299   1.0699 0.9001541 1.488279 
1 1 1   16   20   12 o  121.214   1.0871 14298.97  255.789 14327.21  360.877 14270.46  362.609  121.335   1.5322  121.092   1.5426 0.2427063 2.174212 
1 1 1   16   20   13 o   37.455   1.0112  1348.76   69.164  1318.48   84.081  1412.10  121.630   36.827   1.1761   38.083   1.6453 -1.255737 2.022450 
1 1 1   16   20   14 o   67.079   0.7540  4373.41   98.166  4338.54  137.803  4409.33  139.875   66.808   1.0626   67.350   1.0699 -0.5421906 1.507900 
1 1 1   16   20   15 o   62.389   0.7384  3782.83   89.398  3909.06  128.105  3663.01  124.815   63.404   1.0408   61.375   1.0476 2.028587 1.476791 
1 1 1   16   20   16 o   29.893   1.0500  878.220   60.414  943.459   82.358  802.220   88.891   31.115   1.3635   28.671   1.5972 2.444695 2.100056 
1 1 1   16   20   17 o   22.119   1.3758  480.743   58.734  490.478   79.411  468.985   87.268   22.380   1.8279   21.858   2.0567 0.5215950 2.751602 
1 1 1   16   20   18 o   30.453   1.0529  902.369   61.712  749.655   84.349  1078.27   90.526   27.681   1.5698   33.224   1.4036 -5.543667 2.105793 
1 1 1   16   20   19 o   41.394   0.8766  1673.07   70.391  1651.88   97.533  1696.11  101.693   41.125   1.2218   41.664   1.2574 -0.5391884 1.753193 
1 1 1   16   20   20 f   9.5324   2.4153   83.353   56.746   88.178   78.141   77.971   82.543   9.6481   3.3793   9.4168   3.4517 0.2313175 4.830580 
1 1 1   16   20   21 o   6.7405   2.0308 -34.0431   53.385 -128.2871   76.647   54.754   74.400   5.0378   2.4516   8.4433   3.2382 -3.405521 4.061579 
1 1 1   16   20   22 o   9.8794   2.3029   88.519   58.319   3.9262   84.472  165.565   80.616   7.4387   3.2097   12.320   3.3032 -4.881342 4.605800 
1 1 1   16   20   23 o   21.579   1.5410  472.336   64.499  491.121   90.923  453.308   91.510   22.034   2.1258   21.125   2.2316 0.9088535 3.082051 
1 1 1   16   20   24 o   17.050   2.6884  329.921   90.309  215.699  121.578  470.523  134.889   13.388   4.2016   20.711   3.3551 -7.322685 5.376855 
1 1 1   16   21    0 o   98.748   0.8307  9470.73  159.087  9453.86  220.161  9489.17  230.134   98.658   1.1496   98.839   1.1995 -0.1809311 1.661413 
1 1 1   16   21    1 o  126.050   1.0135 15437.13  247.892 15352.90  345.632 15526.35  355.731  125.698   1.4165  126.402   1.4498 -0.7045670 2.026909 
1 1 1   16   21    2 o  108.797   0.9004 11503.27  190.103 11681.74  266.804 11319.24  270.936  109.656   1.2534  107.938   1.2931 1.718079 1.800870 
1 1 1   16   21    3 o   55.704   0.6258  3005.01   67.549  2883.67   92.218  3145.49   99.224   54.495   0.8718   56.914   0.8981 -2.419273 1.251625 
1 1 1   16   21    4 o   67.341   0.6814  4404.79   89.044  4539.13  126.036  4270.91  125.820   68.367   0.9497   66.315   0.9774 2.051819 1.362794 
1 1 1   16   21    5 o  120.168   0.9808 14029.51  228.319 13982.93  312.796 14082.64  334.032  119.959   1.3433  120.376   1.4295 -0.4177322 1.961591 
1 1 1   16   21    6 o   77.770   0.7339  5875.99  110.773  5976.81  155.889  5773.17  157.435   78.445   1.0237   77.095   1.0520 1.349411 1.467886 
1 1 1   16   21    7 o   48.505   0.6883  2288.36   64.690  2355.71   89.727  2215.47   93.352   49.250   0.9385   47.759   1.0069 1.490677 1.376507 
1 1 1   16   21    8 o   25.758   0.9919  639.891   49.380  591.634   66.179  700.507   74.171   24.671   1.3819   26.844   1.4234 -2.173018 1.983808 
1 1 1   16   21    9 o   49.009   0.8113  2343.18   76.195  2272.81  116.550  2395.70  100.694   48.359   1.2416   49.659   1.0446 -1.299694 1.622536 
1 1 1   16   21   10 o   18.706   1.3745  340.388   49.855  332.103   68.575  349.678   72.611   18.466   1.9130   18.946   1.9743 -0.4802208 2.749082 
1 1 1   16   21   11 f   75.529   0.7735  5540.52  113.305  5476.88  156.454  5610.72  164.309   75.075   1.0736   75.983   1.1140 -0.9083710 1.547093 
1 1 1   16   21   12 o   38.084   0.9893  1388.60   68.320  1350.37   82.415  1472.61  122.158   37.273   1.1391   38.895   1.6179 -1.621872 1.978682 
1 1 1   16   21   13 o   39.493   0.8218  1527.19   62.543  1655.83   86.018  1382.91   91.098   41.275   1.0736   37.711   1.2444 3.563709 1.643547 
1 1 1   16   21   14 o   35.772   0.8349  1244.39   57.976  1254.99   82.402  1234.01   81.583   35.923   1.1817   35.621   1.1798 0.3014412 1.669855 
1 1 1   16   21   15 o   46.567   0.7759  2111.88   70.025  2161.15   97.036  2058.34  101.153   47.138   1.0605   45.996   1.1329 1.141712 1.551801 
1 1 1   16   21   16 o   29.366   1.0732  845.345   60.718  879.152   82.036  804.391   90.292   30.029   1.4073   28.703   1.6206 1.326130 2.146347 
1 1 1   16   21   17 o   53.399   0.7885  2775.19   81.676  2723.34  113.005  2831.90  118.183   52.879   1.1009   53.918   1.1292 -1.038883 1.577013 
1 1 1   16   21   18 o   34.929   0.9397  1189.13   63.606  1155.58   87.016  1227.63   93.210   34.405   1.3029   35.454   1.3544 -1.048218 1.879314 
1 1 1   16   21   19 o   38.703   0.8917  1459.22   66.870  1366.24   91.421  1566.20   98.064   37.382   1.2598   40.024   1.2622 -2.641743 1.783341 
1 1 1   16   21   20 o   8.1218   2.3024   33.106   57.002   68.227   79.031  -4.9755   82.295   9.0084   3.3636   7.2352   3.1449 1.773160 4.604765 
1 1 1   16   21   21 o   10.267   2.3085   97.582   59.229   8.1041   85.743  179.244   81.913   7.6316   3.2622   12.902   3.2672 -5.270397 4.616990 
1 1 1   16   21   22 o   24.330   1.2540  584.209   58.592  715.335   86.991  475.327   79.270   26.842   1.6695   21.818   1.8717 5.024258 2.508093 
1 1 1   16   21   23 o   13.840   2.1868  211.824   61.964   96.798   87.491  327.584   87.770   9.8574   3.5627   17.823   2.5369 -7.965672 4.373634 
1 1 1   16   21   24 o   50.789   1.2165  2596.22  119.621  2651.61  164.548  2534.13  174.205   51.436   1.6480   50.142   1.7898 1.294262 2.432940 
1 1 1   16   22    0 f   98.040   0.8240  9340.12  156.715  9450.16  218.597  9223.76  224.790   98.636   1.1417   97.444   1.1884 1.191803 1.647935 
1 1 1   16   22    1 o   33.203   0.6938  1060.82   44.374  996.720   58.572  1147.17   67.984   32.037   0.9418   34.368   1.0190 -2.331341 1.387600 
1 1 1   16   22    2 o   29.437   0.7242  842.988   41.298  868.785   57.163  814.821   59.731   29.910   0.9845   28.964   1.0624 0.9452076 1.448424 
1 1 1   16   22    3 f   83.678   0.7582  6801.86  123.042  6822.71  170.550  6779.23  177.686   83.813   1.0483   83.543   1.0957 0.2701187 1.516356 
1 1 1   16   22    4 o   19.815   1.1219  373.585   42.451  291.156   56.049  484.484   65.012   17.305   1.6686   22.326   1.5001 -5.021446 2.243738 
1 1 1   16   22    5 o   96.689   0.8299  9082.02  155.744  9084.90  218.986  9079.08  221.548   96.705   1.1666   96.673   1.1806 0.3204346E-01 1.659708 
1 1 1   16   22    6 o   57.852   0.6659  3251.56   74.752  3330.56  105.302  3171.31  106.132   58.561   0.9263   57.143   0.9568 1.418339 1.331740 
1 1 1   16   22    7 o   95.588   0.8342  8877.72  154.776  8919.75  218.186  8835.14  219.593   95.816   1.1731   95.359   1.1863 0.4565811 1.668346 
1 1 1   16   22    8 o   15.977   1.8316  260.698   53.324  219.796   83.450  288.923   69.323   14.730   3.0199   17.224   2.0734 -2.493666 3.663141 
1 1 1   16   22    9 o   43.476   0.7334  1826.78   61.662  1731.17   82.972  1944.73   92.158   42.213   1.0125   44.739   1.0612 -2.526009 1.466732 
1 1 1   16   22   10 o   49.215   0.7169  2350.80   68.160  2329.79   91.802  2376.61  101.749   48.973   0.9657   49.458   1.0598 -0.4852867 1.433786 
1 1 1   16   22   11 o   46.159   0.8953  2075.06   74.740  2081.06   90.606  2062.31  132.217   46.278   1.0086   46.040   1.4794 0.2388992 1.790509 
1 1 1   16   22   12 o   70.849   0.7768  4874.20  106.710  4794.62  146.831  4963.28  155.348   70.239   1.0769   71.460   1.1199 -1.220871 1.553676 
1 1 1   16   22   13 o   48.070   0.7530  2245.63   70.218  2234.67   97.480  2257.46  101.233   47.950   1.0473   48.191   1.0822 -0.2416191 1.505948 
1 1 1   16   22   14 o   38.107   0.8182  1412.25   60.519  1429.91   85.913  1394.86   85.264   38.343   1.1543   37.870   1.1599 0.4731636 1.636335 
1 1 1   16   22   15 o   36.950   0.8773  1332.79   62.634  1370.39   85.295  1288.79   92.271   37.523   1.1710   36.377   1.3067 1.146767 1.754613 
1 1 1   16   22   16 f   23.033   1.2766  511.299   56.640  440.880   75.243  603.375   86.039   21.228   1.8260   24.838   1.7845 -3.610167 2.553186 
1 1 1   16   22   17 o   62.194   0.7603  3770.12   91.722  3886.44  128.729  3650.17  130.724   63.174   1.0497   61.213   1.1001 1.960342 1.520593 
1 1 1   16   22   18 o   31.140   1.0309  947.568   62.279  992.400   89.475  905.433   86.742   31.855   1.4469   30.424   1.4687 1.431276 2.061758 
1 1 1   16   22   19 o   36.006   0.9079  1268.29   63.375  1184.64   88.792  1355.16   90.484   34.789   1.3148   37.223   1.2523 -2.434170 1.815756 
1 1 1   16   22   20 o   9.5107   2.3778   79.482   57.351  124.741   81.080   34.162   81.134   10.926   3.4316   8.0958   3.2924 2.829774 4.755595 
1 1 1   16   22   21 o   30.092   1.0888  893.443   63.594  877.906   89.773  909.093   90.099   29.826   1.5506   30.358   1.5289 -0.5320988 2.177577 
1 1 1   16   22   22 o   12.139   2.3064  156.440   60.784  251.165   87.502   68.102   84.500   15.266   3.0593   9.0112   3.4522 6.254799 4.612732 
1 1 1   16   22   23 o   19.264   1.6799  386.183   61.389  348.354   94.297  414.010   80.875   18.304   2.6540   20.223   2.0601 -1.919725 3.359728 
1 1 1   16   22   24 f   29.280   1.7166  883.531   97.099  796.158  130.080  993.474  145.917   27.666   2.4222   30.895   2.4331 -3.229385 3.433161 
1 1 1   16   23    0 o   32.872   0.6796  1038.63   43.084  959.673   57.094  1143.06   65.660   31.436   0.9356   34.308   0.9859 -2.871443 1.359202 
1 1 1   16   23    1 o   57.370   0.6259  3196.75   69.684  3235.21   97.796  3157.09   99.316   57.721   0.8728   57.019   0.8973 0.7018967 1.251780 
1 1 1   16   23    2 o   65.056   0.6657  4109.76   83.975  4103.65  116.069  4116.47  121.643   65.006   0.9198   65.106   0.9625 -0.9989929E-01 1.331340 
1 1 1   16   23    3 o   47.363   0.6384  2177.51   58.603  2163.38   80.487  2193.45   85.494   47.200   0.8784   47.526   0.9267 -0.3256264 1.276894 
1 1 1   16   23    4 o  141.876   1.1479 19570.39  316.132 19597.77  447.023 19543.00  447.134  141.975   1.6220  141.776   1.6247 0.1989136 2.295755 
1 1 1   16   23    5 o   34.809   0.7231  1177.54   48.835  1202.67   68.393  1151.41   69.753   35.189   1.0012   34.430   1.0437 0.7591324 1.446281 
1 1 1   16   23    6 o   51.213   0.6508  2539.17   64.507  2448.46   87.355  2647.97   95.663   50.211   0.8962   52.215   0.9438 -2.004021 1.301534 
1 1 1   16   23    7 o   75.866   0.7371  5591.00  108.553  5533.16  153.208  5649.31  153.827   75.472   1.0458   76.261   1.0391 -0.7884369 1.474240 
1 1 1   16   23    8 o   60.255   0.6948  3526.13   81.255  3575.54  115.868  3478.32  113.978   60.670   0.9838   59.840   0.9812 0.8303223 1.389510 
1 1 1   16   23    9 o   87.614   0.8064  7453.50  136.924  7357.81  187.849  7561.98  200.003   87.017   1.1121   88.211   1.1680 -1.193810 1.612758 
1 1 1   16   23   10 o  126.467   1.2758 15575.75  298.585 15582.28  370.160 15563.57  505.180  126.566   1.5066  126.368   2.0594 0.1977158 2.551694 
1 1 1   16   23   11 o   42.212   0.7587  1731.21   62.128  1744.73   89.558  1718.67   86.259   42.370   1.0889   42.054   1.0567 0.3160896 1.517305 
1 1 1   16   23   12 o   56.088   0.7463  3060.76   81.156  3210.23  114.177  2908.13  115.375   57.475   1.0234   54.700   1.0866 2.775524 1.492622 
1 1 1   16   23   13 o   75.069   0.7828  5478.57  114.069  5464.28  160.965  5492.98  161.673   74.971   1.1060   75.167   1.1080 -0.1964569 1.565572 
1 1 1   16   23   14 o   74.419   0.7895  5386.41  114.044  5368.01  160.034  5405.40  162.561   74.291   1.1097   74.547   1.1234 -0.2563400 1.579052 
1 1 1   16   23   15 o   44.175   0.7988  1899.03   68.410  1896.49   94.333  1901.83   99.355   44.147   1.1008   44.203   1.1579 -0.5603790E-01 1.597645 
1 1 1   16   23   16 o   38.497   0.8657  1444.01   64.691  1437.25   91.315  1450.82   91.659   38.407   1.2248   38.588   1.2237 -0.1810379 1.731328 
1 1 1   16   23   17 o   9.4200   2.1541   66.751   52.398  153.334   75.078 -15.4717   73.163   12.155   3.1546   6.6854   2.9341 5.469255 4.308218 
1 1 1   16   23   18 o   53.153   0.7480  2752.06   77.135  2811.90  111.470  2697.08  106.847   53.704   1.0693   52.601   1.0464 1.102905 1.496091 
1 1 1   16   23   19 f   32.257   0.9452  1010.61   58.914  1114.98   88.638  928.021   78.853   33.733   1.3536   30.782   1.3196 2.950531 1.890437 
1 1 1   16   23   20 o   9.3842   2.3962   79.430   57.126   49.043   85.409  104.029   76.845   8.6291   3.4226   10.139   3.3546 -1.510202 4.792467 
1 1 1   16   23   21 o   6.9153   2.1514 -13.5652   56.086 -30.6235   77.169   5.5352   81.657   6.4496   2.9094   7.3810   3.1700 -0.9313827 4.302743 
1 1 1   16   23   22 o   25.458   1.2820  648.411   63.100  719.092   89.729  579.258   88.753   26.869   1.7204   24.047   1.9013 2.821533 2.564092 
1 1 1   16   23   23 o   32.138   1.1151  1026.86   69.078  1046.12  104.409  1011.87   92.123   32.359   1.6622   31.916   1.4869 0.4432144 2.230204 
1 1 1   16   24    0 o   8.9679   1.8268   78.161   36.608  120.712   49.982   28.920   53.768   10.920   2.4214   7.0160   2.7359 3.903631 3.653554 
1 1 1   16   24    1 o   53.637   0.6216  2788.23   64.652  2679.32   88.923  2910.36   94.165   52.528   0.8721   54.746   0.8861 -2.217449 1.243247 
1 1 1   16   24    2 o   62.723   0.6597  3820.41   80.225  3817.81  110.673  3823.28  116.458   62.701   0.9093   62.744   0.9562 -0.4322433E-01 1.319487 
1 1 1   16   24    3 o   93.928   0.8174  8565.66  148.987  8815.49  213.563  8328.80  207.949   95.261   1.1549   92.594   1.1569 2.667046 1.634710 
1 1 1   16   24    4 o   98.969   0.8390  9515.49  161.186  9471.10  226.910  9560.71  229.007   98.736   1.1839   99.202   1.1892 -0.4655304 1.678052 
1 1 1   16   24    5 o   47.987   0.6490  2227.84   60.276  2132.63   81.544  2342.52   89.495   46.861   0.8964   49.112   0.9387 -2.250584 1.297995 
1 1 1   16   24    6 o  129.569   1.0697 16321.79  269.033 16249.64  378.319 16395.59  382.657  129.281   1.5075  129.858   1.5180 -0.5777130 2.139378 
1 1 1   16   24    7 o   14.264   1.6384  195.933   43.860  164.152   57.031  241.943   68.621   12.771   2.3883   15.756   2.2435 -2.985289 3.276801 
1 1 1   16   24    8 o   74.806   0.7347  5436.92  106.676  5482.86  150.669  5390.74  151.058   75.123   1.0332   74.488   1.0447 0.6345367 1.469322 
1 1 1   16   24    9 o   40.508   0.9175  1609.51   68.832  1644.85   85.891  1546.05  115.075   41.145   1.0754   39.871   1.4868 1.274208 1.834976 
1 1 1   16   24   10 o   35.784   0.8541  1249.02   59.125  1334.12   82.369  1158.57   84.921   37.048   1.1453   34.519   1.2673 2.529037 1.708189 
1 1 1   16   24   11 o   97.671   0.8745  9272.97  165.780  9511.67  236.119  9040.90  232.812   98.911   1.2298   96.430   1.2437 2.480690 1.749053 
1 1 1   16   24   12 o   30.255   0.9789  892.450   57.346  924.685   79.269  857.056   83.061   30.832   1.3244   29.677   1.4418 1.154882 1.957795 
1 1 1   16   24   13 o   25.621   1.1076  638.934   55.065  619.128   76.748  659.946   79.051   25.212   1.5682   26.030   1.5645 -0.8180199 2.215143 
1 1 1   16   24   14 o   31.674   0.9890  995.098   59.682  1118.36   80.626  845.688   88.767   33.897   1.2253   29.451   1.5527 4.445616 1.977923 
1 1 1   16   24   15 o   29.139   0.9986  822.713   56.305  745.240   76.427  914.674   83.267   27.647   1.4241   30.631   1.4004 -2.984280 1.997287 
1 1 1   16   24   16 o   19.286   1.4096  363.365   52.612  405.121   77.099  326.974   71.975   20.322   1.9544   18.249   2.0317 2.072723 2.819160 
1 1 1   16   24   17 o   38.614   0.8456  1454.01   63.368  1457.71   90.619  1450.47   88.645   38.661   1.2075   38.568   1.1840 0.9243011E-01 1.691152 
1 1 1   16   24   18 o   49.578   0.7563  2391.45   72.695  2536.16  105.941  2262.68   99.933   50.991   1.0703   48.164   1.0689 2.827320 1.512616 
1 1 1   16   24   19 o   19.150   1.4632  360.974   54.099  416.504   80.800  315.854   72.834   20.480   2.0324   17.820   2.1055 2.660162 2.926401 
1 1 1   16   24   20 o   22.674   1.2975  510.803   56.790  496.960   84.197  522.357   76.921   22.364   1.9395   22.984   1.7240 -0.6202869 2.594957 
1 1 1   16   24   21 o   21.902   1.3770  478.830   58.003  483.236   88.352  475.492   76.893   21.949   2.0737   21.856   1.8124 0.9278297E-01 2.754073 
1 1 1   16   24   22 o   11.755   2.4590  153.303   60.427  134.376   87.288  170.720   83.736   11.107   3.5688   12.404   3.3838 -1.297345 4.917975 
1 1 1   16   24   23 o   37.008   1.1538  1359.53   80.478  1408.29  131.345  1330.22  101.833   37.413   1.8085   36.602   1.4332 0.8106346 2.307583 
1 1 1   16   25    0 o   36.168   0.6690  1279.97   46.613  1410.10   64.525  1137.95   67.410   38.107   0.8723   34.230   1.0145 3.877167 1.337956 
1 1 1   16   25    1 o   61.873   0.6586  3718.66   79.038  3743.58  109.805  3691.86  113.858   62.088   0.9111   61.657   0.9513 0.4318237 1.317199 
1 1 1   16   25    2 o   51.589   0.6354  2584.46   63.614  2580.87   88.873  2588.23   91.095   51.553   0.8881   51.626   0.9090 -0.7285309E-01 1.270810 
1 1 1   16   25    3 o   26.229   0.8476  669.136   42.995  677.825   58.547  658.964   63.343   26.415   1.1418   26.042   1.2530 0.3724594 1.695211 
1 1 1   16   25    4 o  107.470   0.8901 11222.89  185.668 11239.43  260.594 11205.84  264.599  107.551   1.2482  107.388   1.2693 0.1628494 1.780209 
1 1 1   16   25    5 o   43.700   0.6891  1860.01   58.281  1944.49   80.567  1767.26   84.411   44.745   0.9276   42.655   1.0195 2.090687 1.378290 
1 1 1   16   25    6 o   84.854   0.7951  6996.03  130.933  7192.09  185.541  6801.55  184.796   86.040   1.1109   83.669   1.1378 2.370644 1.590179 
1 1 1   16   25    7 o   38.231   0.7457  1420.09   55.185  1420.95   75.277  1419.08   81.139   38.245   1.0140   38.217   1.0937 0.2798462E-01 1.491428 
1 1 1   16   25    8 o   56.255   0.8284  3099.38   86.431  3158.81  107.954  2993.26  144.251   57.023   0.9753   55.487   1.3393 1.536140 1.656727 
1 1 1   16   25    9 o   74.366   0.7395  5375.90  106.693  5459.54  149.054  5288.02  152.788   74.961   1.0243   73.771   1.0669 1.190155 1.479057 
1 1 1   16   25   10 o   21.377   1.2284  450.036   50.193  479.573   66.824  411.797   76.032   22.198   1.5508   20.556   1.9054 1.642527 2.456747 
1 1 1   16   25   11 o   60.985   0.7443  3611.34   88.000  3557.28  121.007  3672.02  128.206   60.503   1.0303   61.467   1.0745 -0.9646988 1.488646 
1 1 1   16   25   12 o   73.516   0.7784  5254.19  111.071  5308.25  156.832  5199.80  157.324   73.896   1.0933   73.136   1.1082 0.7603607 1.556721 
1 1 1   16   25   13 o   89.506   0.8687  7794.18  150.928  7766.55  212.439  7822.33  214.463   89.347   1.2249   89.666   1.2321 -0.3190384 1.737379 
1 1 1   16   25   14 o   36.951   0.8750  1328.25   62.726  1298.13   86.937  1360.96   90.592   36.515   1.2265   37.387   1.2483 -0.8711548 1.749990 
1 1 1   16   25   15 o   55.280   0.7336  2969.25   78.660  3089.29  114.038  2860.30  108.642   56.343   1.0427   54.216   1.0323 2.126987 1.467226 
1 1 1   16   25   16 o   8.7956   2.2999   61.045   52.197   75.326   75.358   47.874   72.369   9.2841   3.3122   8.3072   3.1919 0.9769440 4.599847 
1 1 1   16   25   17 o   18.982   1.5399  354.183   56.063  284.658   76.637  434.227   82.230   16.964   2.3273   21.001   2.0171 -4.037142 3.079797 
1 1 1   16   25   18 o   36.620   0.8661  1313.90   61.414  1377.84   85.405  1245.44   88.375   37.555   1.1715   35.684   1.2758 1.871346 1.732105 
1 1 1   16   25   19 o   31.429   1.0148  970.282   61.795  975.663   90.285  965.539   84.759   31.500   1.4765   31.358   1.3924 0.1413994 2.029517 
1 1 1   16   25   20 o   8.1410   2.3105   39.163   55.788   49.020   79.813   29.747   78.009   8.4320   3.3199   7.8499   3.2144 0.5820665 4.621061 
1 1 1   16   25   21 o   22.623   1.3540  510.638   59.047  520.419   89.230  503.017   78.757   22.779   2.0180   22.467   1.8058 0.3117218 2.707990 
1 1 1   16   25   22 o   33.516   0.9790  1109.82   63.174  1114.53   95.675  1106.19   84.119   33.541   1.4695   33.492   1.2939 0.4918671E-01 1.957914 
1 1 1   16   25   23 o   12.141   2.9736  168.924   86.097  131.176  117.161  213.240  126.946   11.028   4.0998   13.253   4.3082 -2.225518 5.947113 
1 1 1   16   26    0 o  181.754   1.3929 32144.50  491.421 32462.86  695.248 31826.63  694.700  182.655   1.9608  180.852   1.9788 1.802917 2.785796 
1 1 1   16   26    1 o   73.452   0.7078  5241.06  100.872  5280.16  140.850  5199.90  144.531   73.734   0.9841   73.170   1.0176 0.5642166 1.415570 
1 1 1   16   26    2 o   52.189   0.6287  2642.81   63.657  2584.07   88.179  2706.74   91.992   51.585   0.8806   52.794   0.8976 -1.209652 1.257462 
1 1 1   16   26    3 o   50.925   0.6420  2517.59   63.398  2497.15   87.537  2540.14   91.943   50.709   0.8893   51.142   0.9261 -0.4333801 1.283965 
1 1 1   16   26    4 o   82.453   0.7762  6603.37  124.205  6559.33  173.578  6649.57  177.802   82.172   1.0882   82.734   1.1071 -0.5620346 1.552369 
1 1 1   16   26    5 o  100.562   1.0873  9856.12  199.704  9901.24  244.402  9765.48  346.422  100.940   1.2473  100.183   1.7813 0.7572556 2.174616 
1 1 1   16   26    6 f   73.691   0.7314  5275.94  104.585  5293.22  145.891  5257.67  150.006   73.816   1.0182   73.566   1.0504 0.2503662 1.462886 
1 1 1   16   26    7 o   82.308   0.7780  6555.75  123.860  6286.00  166.915  6886.30  184.771   80.434   1.0690   84.181   1.1307 -3.747757 1.556068 
1 1 1   16   26    8 o   37.184   0.7747  1342.64   55.267  1337.91   72.758  1349.09   84.974   37.110   1.0100   37.258   1.1749 -0.1485481 1.549350 
1 1 1   16   26    9 o   40.906   0.7460  1620.98   59.145  1527.86   80.997  1727.36   86.568   39.651   1.0523   42.161   1.0578 -2.509167 1.492047 
1 1 1   16   26   10 o   24.012   1.1320  559.350   52.587  498.560   72.323  627.541   76.600   22.630   1.6464   25.393   1.5540 -2.763254 2.263928 
1 1 1   16   26   11 o   31.714   0.9551  980.610   58.515  1003.75   79.521  953.279   86.414   32.126   1.2751   31.301   1.4222 0.8257961 1.910143 
1 1 1   16   26   12 o   14.792   1.9132  220.004   52.818  297.098   76.780  150.746   72.774   17.433   2.2689   12.150   3.0811 5.283113 3.826324 
1 1 1   16   26   13 o   23.884   1.2140  563.438   55.209  597.943   72.756  516.602   84.766   24.770   1.5131   22.997   1.8988 1.773174 2.427978 
1 1 1   16   26   14 o   52.434   0.7380  2676.31   75.070  2773.18  105.792  2578.06  106.541   53.393   1.0207   51.475   1.0662 1.917809 1.476051 
1 1 1   16   26   15 o   20.081   1.4117  397.590   53.639  289.697   73.953  517.352   77.915   17.167   2.2193   22.996   1.7454 -5.829702 2.823397 
1 1 1   16   26   16 o   55.526   0.7673  3003.59   82.707  2986.65  116.871  3020.57  117.059   55.369   1.0874   55.683   1.0830 -0.3143692 1.534661 
1 1 1   16   26   17 f   26.429   1.1280  680.262   57.631  601.013   78.373  773.564   85.039   24.758   1.6308   28.100   1.5590 -3.342283 2.256088 
1 1 1   16   26   18 o   29.163   1.0527  833.973   59.548  789.919   82.912  880.906   85.579   28.365   1.5058   29.962   1.4714 -1.596832 2.105346 
1 1 1   16   26   19 o   38.192   0.8942  1432.60   66.131  1380.05   95.809  1480.42   91.395   37.506   1.3160   38.878   1.2110 -1.371803 1.788394 
1 1 1   16   26   20 o   23.399   1.2890  542.313   58.357  484.200   80.407  606.992   84.829   22.062   1.8776   24.736   1.7667 -2.674068 2.578043 
1 1 1   16   26   21 o   21.972   1.4599  485.743   61.729  570.781   89.051  407.089   85.643   23.875   1.9214   20.068   2.1985 3.807104 2.919766 
1 1 1   16   26   22 o   22.902   1.3808  522.263   60.879  578.164   93.696  481.422   80.087   23.921   2.0178   21.883   1.8854 2.038033 2.761541 
1 1 1   16   26   23 o   14.065   2.9353  241.253   87.453  292.260  122.550  188.324  124.837   15.600   4.0214   12.531   4.2769 3.068053 5.870603 
1 1 1   16   27    0 o  129.912   1.0638 16408.93  268.001 16471.57  371.142 16340.69  387.403  130.176   1.4687  129.648   1.5393 0.5275879 2.127607 
1 1 1   16   27    1 o  165.939   1.2568 26760.53  403.291 26515.41  545.837 27055.20  598.469  165.117   1.7030  166.760   1.8488 -1.642212 2.513574 
1 1 1   16   27    2 o   64.676   0.6712  4062.52   84.268  4055.98  118.584  4069.19  119.772   64.624   0.9453   64.728   0.9532 -0.1048279 1.342470 
1 1 1   16   27    3 o   75.499   0.7194  5537.71  105.396  5574.71  147.354  5498.94  150.810   75.759   1.0020   75.240   1.0326 0.5183182 1.438807 
1 1 1   16   27    4 o   37.160   0.7045  1341.09   50.803  1334.87   70.863  1347.67   72.871   37.071   0.9847   37.248   1.0078 -0.1766014 1.409037 
1 1 1   16   27    5 o   87.018   0.8061  7358.46  136.142  7445.39  191.597  7269.81  193.485   87.538   1.1275   86.498   1.1523 1.040352 1.612200 
1 1 1   16   27    6 o   9.1543   2.1316   73.709   44.819   45.760   60.324  108.146   66.961   7.8734   2.9389   10.435   3.0882 -2.561921 4.263127 
1 1 1   16   27    7 o   45.854   0.7254  2053.29   64.211  2183.22   88.225  1906.96   93.632   47.407   0.9587   44.301   1.0888 3.106220 1.450702 
1 1 1   16   27    8 o   14.462   1.8188  211.714   49.125  244.553   67.287  174.232   71.888   15.835   2.1891   13.089   2.9052 2.745670 3.637609 
1 1 1   16   27    9 o   34.495   0.8708  1161.52   57.768  1193.75   77.233  1120.60   87.034   35.045   1.1353   33.945   1.3208 1.099365 1.741686 
1 1 1   16   27   10 o   9.1341   2.2558   72.827   49.370   81.596   68.633   63.424   71.070   9.4231   3.1714   8.8452   3.2088 0.5778608 4.511614 
1 1 1   16   27   11 o   59.747   0.7384  3466.90   85.462  3429.53  116.866  3509.86  125.298   59.403   1.0135   60.090   1.0742 -0.6867409 1.476813 
1 1 1   16   27   12 o   53.645   0.7276  2793.94   75.713  2914.98  109.424  2682.76  104.871   54.758   1.0294   52.531   1.0284 2.226295 1.455128 
1 1 1   16   27   13 o   49.447   0.7812  2376.48   74.854  2341.06  102.574  2416.82  109.482   49.056   1.0772   49.837   1.1317 -0.7814522 1.562360 
1 1 1   16   27   14 o   25.249   1.0938  624.013   53.417  594.920   77.752  650.019   73.511   24.683   1.6228   25.815   1.4670 -1.131994 2.187543 
1 1 1   16   27   15 o   32.484   0.9710  1028.40   61.187  995.671   84.647  1064.21   88.546   31.945   1.3651   33.024   1.3813 -1.079132 1.941983 
1 1 1   16   27   16 f   35.382   0.9316  1219.17   63.888  1171.38   87.442  1273.89   93.570   34.643   1.3003   36.121   1.3345 -1.478527 1.863230 
1 1 1   16   27   17 o   15.205   1.9348  236.333   54.860  167.157   75.415  314.080   79.951   12.624   3.1001   17.785   2.3158 -5.161220 3.869575 
1 1 1   16   27   18 o   19.719   1.4727  387.373   55.989  442.589   79.787  333.806   78.587   21.136   1.9447   18.301   2.2121 2.834948 2.945355 
1 1 1   16   27   19 o   39.345   0.8622  1516.98   65.816  1496.78   94.206  1536.24   91.990   39.082   1.2417   39.607   1.1965 -0.5252838 1.724367 
1 1 1   16   27   20 f   24.058   1.3329  577.316   61.688  679.836   88.866  481.972   85.700   26.165   1.7497   21.951   2.0112 4.213808 2.665766 
1 1 1   16   27   21 f   9.7408   2.4255   88.560   59.814  138.957   85.151   39.469   84.040   11.275   3.5127   8.2063   3.3456 3.069023 4.850968 
1 1 1   16   27   22 o   30.313   1.1756  919.226   68.927  903.995  101.338  932.338   94.026   30.039   1.7379   30.587   1.5836 -0.5482826 2.351164 
1 1 1   16   28    0 f   97.562   0.8580  9248.80  162.415  9272.59  226.274  9223.52  233.265   97.693   1.1932   97.431   1.2334 0.2622375 1.716059 
1 1 1   16   28    1 o   93.878   0.8280  8559.33  150.869  8783.32  215.600  8344.42  211.191   95.081   1.1681   92.675   1.1739 2.406487 1.656096 
1 1 1   16   28    2 o   81.191   0.7520  6404.66  118.494  6532.14  167.205  6276.05  167.948   82.003   1.0504   80.378   1.0764 1.625168 1.503985 
1 1 1   16   28    3 o  117.995   0.9727 13526.39  222.726 13826.60  319.683 13243.21  310.483  119.266   1.3808  116.724   1.3703 2.541908 1.945339 
1 1 1   16   28    4 o   91.115   0.8099  8066.58  143.243  8076.04  201.565  8056.92  203.603   91.169   1.1389   91.060   1.1518 0.1090698 1.619849 
1 1 1   16   28    5 o   30.251   0.7951  889.482   46.518  891.914   63.167  886.601   68.760   30.298   1.0740   30.205   1.1727 0.9342194E-01 1.590219 
1 1 1   16   28    6 o   16.156   1.5198  254.015   47.477  224.253   65.737  286.466   68.642   15.165   2.2330   17.146   2.0624 -1.980809 3.039696 
1 1 1   16   28    7 o   64.347   0.6998  4023.55   87.384  4071.77  122.514  3973.62  124.672   64.740   0.9749   63.953   1.0042 0.7868347 1.399599 
1 1 1   16   28    8 o   82.477   0.7858  6613.88  125.758  6712.29  176.111  6511.47  179.638   83.105   1.0917   81.848   1.1306 1.256607 1.571656 
1 1 1   16   28    9 f   8.2795   2.1603   36.903   51.536   97.902   69.985 -35.3573   76.172   10.068   3.1914   6.4906   2.9124 3.577860 4.320569 
1 1 1   16   28   10 o   41.651   0.8027  1685.72   64.879  1749.78   92.734  1624.30   90.801   42.426   1.1260   40.876   1.1444 1.550583 1.605438 
1 1 1   16   28   11 f   76.303   0.7827  5661.16  115.913  5753.09  163.758  5568.85  164.094   76.925   1.0966   75.681   1.1170 1.244141 1.565325 
1 1 1   16   28   12 o   41.062   0.8088  1639.70   64.325  1632.43   87.961  1648.05   94.308   40.967   1.1061   41.157   1.1804 -0.1894150 1.617663 
1 1 1   16   28   13 o   25.146   1.1778  617.437   57.448  648.188   81.597  587.212   80.896   25.770   1.6312   24.522   1.6994 1.247913 2.355589 
1 1 1   16   28   14 o   16.161   1.7443  264.172   52.311  322.536   74.005  205.889   73.953   18.129   2.1029   14.193   2.7836 3.935811 3.488636 
1 1 1   16   28   15 f   37.413   0.8750  1364.64   63.440  1360.36   87.128  1369.48   92.554   37.356   1.2015   37.471   1.2724 -0.1149826 1.750091 
1 1 1   16   28   16 o   51.159   0.7800  2552.51   77.422  2637.60  109.196  2466.50  109.787   52.021   1.0813   50.297   1.1245 1.724144 1.560046 
1 1 1   16   28   17 o   21.653   1.3131  462.489   55.188  469.739   78.334  455.344   77.765   21.822   1.8492   21.483   1.8648 0.3399048 2.626199 
1 1 1   16   28   18 o   8.9158   2.2835   64.714   54.341   10.864   80.583  109.625   73.592   7.5127   3.1854   10.319   3.2728 -2.806351 4.567028 
1 1 1   16   28   19 o   29.872   1.0315  887.127   59.168  784.342   86.678  976.813   80.967   28.198   1.5835   31.545   1.3222 -3.346924 2.062970 
1 1 1   16   28   20 o   18.613   1.5989  351.431   57.441  312.225   81.686  389.780   80.789   17.536   2.3997   19.690   2.1136 -2.154804 3.197830 
1 1 1   16   28   21 o   13.637   2.3329  203.566   61.541  253.379   90.733  161.125   83.749   15.229   3.1722   12.044   3.4215 3.184925 4.665820 
1 1 1   16   28   22 o   8.1577   2.3136   12.791   65.296 -105.4797   96.944  111.000   88.340   6.1078   2.9170   10.208   3.5920 -4.099785 4.627261 
1 1 1   16   29    0 o   40.753   0.6508  1607.03   51.322  1542.26   69.379  1685.31   76.269   39.850   0.8969   41.656   0.9432 -1.805893 1.301542 
1 1 1   16   29    1 o   57.471   0.6457  3209.60   71.996  3278.24  100.842  3138.24  102.820   58.099   0.8941   56.844   0.9318 1.255589 1.291430 
1 1 1   16   29    2 o   78.513   0.8572  6046.43  126.719  5749.31  203.238  6235.39  162.081   76.908   1.3613   80.118   1.0422 -3.209488 1.714465 
1 1 1   16   29    3 o   43.249   0.6578  1816.42   55.068  1812.41   75.066  1821.10   81.033   43.198   0.8952   43.299   0.9641 -0.1010590 1.315607 
1 1 1   16   29    4 o   45.275   0.6850  1993.81   60.050  2030.19   82.446  1952.71   87.638   45.717   0.9290   44.833   1.0070 0.8839073 1.370079 
1 1 1   16   29    5 o   48.236   0.6835  2258.15   63.857  2230.95   87.173  2289.65   93.807   47.924   0.9371   48.547   0.9954 -0.6238098 1.367088 
1 1 1   16   29    6 o   21.968   1.1089  468.272   47.099  456.580   63.473  482.599   70.260   21.666   1.5092   22.271   1.6252 -0.6049728 2.217879 
1 1 1   16   29    7 o   24.272   1.0739  573.179   50.590  557.929   71.150  588.773   71.946   23.945   1.5307   24.599   1.5067 -0.6539497 2.147856 
1 1 1   16   29    8 o   7.8032   2.1103   20.049   50.284 -50.7521   72.605   85.314   69.708   6.0189   2.7565   9.5876   3.1962 -3.568641 4.220646 
1 1 1   16   29    9 o   80.197   0.7846  6251.86  122.129  6339.59  172.646  6163.99  172.788   80.761   1.1013   79.633   1.1178 1.128082 1.569142 
1 1 1   16   29   10 o   50.941   0.7449  2521.22   73.646  2466.65  102.848  2578.64  105.504   50.376   1.0517   51.507   1.0552 -1.130646 1.489849 
1 1 1   16   29   11 o   66.823   0.7457  4339.69   96.708  4230.14  135.314  4454.06  138.264   65.961   1.0568   67.684   1.0523 -1.723801 1.491392 
1 1 1   16   29   12 o   39.498   0.8715  1521.64   66.685  1608.45   93.432  1431.51   95.207   40.653   1.1840   38.343   1.2791 2.310040 1.742972 
1 1 1   16   29   13 o   10.958   2.2612  122.113   51.113  111.058   76.436  131.055   68.744   10.605   3.3321   11.311   3.0577 -0.7060490 4.522422 
1 1 1   16   29   14 o   13.603   2.1864  193.157   57.059  243.325   80.201  141.738   81.195   15.450   2.7763   11.757   3.3785 3.692416 4.372836 
1 1 1   16   29   15 o   43.812   0.8094  1870.67   68.810  1862.67   95.838  1879.18   98.855   43.718   1.1293   43.906   1.1599 -0.1883240 1.618841 
1 1 1   16   29   16 o   38.415   0.8421  1440.64   62.776  1396.96   88.742  1484.39   88.815   37.829   1.2085   39.001   1.1731 -1.172218 1.684261 
1 1 1   16   29   17 o   24.496   1.1495  598.922   53.757  527.796   80.532  656.084   72.196   23.129   1.7937   25.862   1.4381 -2.733358 2.298993 
1 1 1   16   29   18 o   15.531   1.9091  263.023   53.513  145.053   76.806  374.310   74.599   11.660   3.2642   19.402   1.9807 -7.742384 3.818113 
1 1 1   16   29   19 o   30.876   0.9971  941.994   59.315  902.871   88.382  974.055   80.010   30.260   1.5046   31.491   1.3089 -1.230181 1.994249 
1 1 1   16   29   20 o   25.067   1.1995  617.893   57.759  670.833   89.625  580.286   75.538   25.945   1.7796   24.188   1.6088 1.756741 2.398952 
1 1 1   16   29   21 o   31.780   1.0393  1006.65   63.051  968.351   97.386  1034.30   82.730   31.191   1.6084   32.369   1.3166 -1.177502 2.078589 
1 1 1   16   29   22 o   14.394   2.6894  210.803   71.828  354.708  134.702  153.627   84.906   17.195   4.0944   11.592   3.4883 5.602703 5.378837 
1 1 1   16   30    0 o   54.362   0.6400  2869.90   67.523  2954.89   95.975  2786.60   95.016   55.159   0.8963   53.564   0.9138 1.594452 1.280032 
1 1 1   16   30    1 o   78.381   0.8583  5959.84  125.973  6008.76  207.979  5931.50  158.318   78.622   1.3627   78.140   1.0437 0.4825821 1.716517 
1 1 1   16   30    2 o   90.374   0.8132  7936.12  142.637  7918.83  200.090  7954.00  203.390   90.275   1.1418   90.474   1.1581 -0.1987839 1.626315 
1 1 1   16   30    3 o   53.242   0.6677  2750.66   68.838  2713.53   93.864  2793.88  101.259   52.855   0.9149   53.629   0.9727 -0.7741013 1.335317 
1 1 1   16   30    4 o   43.828   0.6772  1854.26   56.992  1790.39   74.714  1943.16   88.137   42.933   0.8965   44.723   1.0152 -1.789463 1.354393 
1 1 1   16   30    5 o   73.385   0.7340  5226.18  104.458  5099.98  144.034  5366.19  151.718   72.453   1.0241   74.317   1.0517 -1.864891 1.467928 
1 1 1   16   30    6 o   7.2985   2.1074   17.696   47.458   5.1209   66.057   31.110   68.226   6.8847   2.8996   7.7124   3.0590 -0.8277154 4.214858 
1 1 1   16   30    7 o   63.977   0.7152  3973.47   88.683  3914.66  121.615  4040.25  129.599   63.473   0.9870   64.480   1.0354 -1.006622 1.430487 
1 1 1   16   30    8 o   49.091   0.7262  2339.24   69.096  2297.94   94.742  2386.16  100.991   48.630   1.0036   49.552   1.0499 -0.9220505 1.452456 
1 1 1   16   30    9 o   46.955   0.7462  2143.25   67.968  2133.46   97.854  2152.37   94.478   46.850   1.0760   47.060   1.0342 -0.2097664 1.492440 
1 1 1   16   30   10 o   65.632   0.7525  4187.47   95.858  4178.58  134.220  4196.72  136.949   65.562   1.0546   65.703   1.0738 -0.1402740 1.505063 
1 1 1   16   30   11 o   53.830   0.7416  2817.18   77.468  2925.91  110.468  2711.97  108.666   54.853   1.0375   52.808   1.0601 2.045719 1.483254 
1 1 1   16   30   12 o   47.356   0.7861  2179.14   72.203  2264.42  104.662  2101.70   99.736   48.238   1.1177   46.474   1.1056 1.764233 1.572116 
1 1 1   16   30   13 o   37.696   0.8338  1385.87   60.918  1310.82   86.727  1458.96   85.588   36.683   1.2179   38.709   1.1390 -2.026180 1.667567 
1 1 1   16   30   14 o   14.069   2.0580  205.244   55.000  242.746   74.830  161.181   81.113   15.674   2.4595   12.463   3.3005 3.210418 4.116088 
1 1 1   16   30   15 o   36.094   0.8763  1270.43   61.376  1297.44   88.341  1245.22   85.334   36.463   1.2481   35.725   1.2305 0.7385635 1.752663 
1 1 1   16   30   16 o   9.6906   2.0140   75.013   52.888 -57.0193   79.009  182.205   71.190   6.1560   2.8398   13.225   2.8565 -7.069345 4.027906 
1 1 1   16   30   17 o   15.734   1.8052  247.710   53.139  315.437   80.853  196.211   70.504   17.756   2.3457   13.712   2.7445 4.043792 3.610353 
1 1 1   16   30   18 o   27.681   1.0992  757.480   58.854  706.929   84.807  804.442   81.742   26.765   1.6323   28.596   1.4726 -1.830095 2.198360 
1 1 1   16   30   19 o   43.221   0.8469  1825.81   70.864  1923.72  105.038  1744.02   96.005   44.271   1.2223   42.171   1.1728 2.099789 1.693893 
1 1 1   16   30   20 o   38.808   0.8969  1483.55   67.518  1450.38   96.604  1515.22   94.403   38.371   1.2970   39.244   1.2392 -0.8734856 1.793808 
1 1 1   16   30   21 o   8.9006   2.4204   54.947   59.500  117.242   95.127   14.912   76.260   10.531   3.7251   7.2707   3.0914 3.259767 4.840785 
1 1 1   16   30   22 o   11.157   2.8608  125.530   91.392 -15.2564  142.571  223.739  119.076   8.7408   3.9477   13.573   4.1415 -4.831936 5.721558 
1 1 1   16   31    0 o   50.523   0.7280  2473.53   69.760  2508.79  111.600  2450.91   89.371   50.813   1.1314   50.233   0.9165 0.5799675 1.456075 
1 1 1   16   31    1 o   85.441   0.8112  7088.45  134.311  7003.29  184.157  7185.22  196.315   84.896   1.1175   85.986   1.1761 -1.090385 1.622358 
1 1 1   16   31    2 o   76.624   0.7302  5702.91  108.440  5681.95  149.041  5726.48  158.072   76.476   1.0040   76.771   1.0607 -0.2949295 1.460478 
1 1 1   16   31    3 o   34.811   0.7549  1174.40   50.781  1147.65   68.289  1207.49   75.950   34.370   1.0235   35.251   1.1099 -0.8816414 1.509811 
1 1 1   16   31    4 o   50.244   0.7751  2484.83   72.252  2567.06   90.624  2341.40  119.696   51.408   0.9081   49.079   1.2564 2.328892 1.550215 
1 1 1   16   31    5 f   33.141   0.7932  1070.92   50.768  1106.71   69.103  1028.93   74.832   33.748   1.0548   32.535   1.1849 1.212570 1.586380 
1 1 1   16   31    6 o   76.623   0.7602  5704.88  113.028  5671.36  157.513  5740.46  162.285   76.392   1.0622   76.854   1.0878 -0.4615479 1.520380 
1 1 1   16   31    7 o   38.771   0.9176  1477.08   67.111  1393.72  106.843  1531.40   86.249   37.849   1.4542   39.694   1.1194 -1.844547 1.835120 
1 1 1   16   31    8 o   33.989   0.8887  1121.50   58.576  1056.71   81.073  1192.26   84.725   32.963   1.2670   35.015   1.2465 -2.051590 1.777372 
1 1 1   16   31    9 o   83.028   0.8086  6700.07  130.290  6889.46  186.249  6518.56  182.328   84.177   1.1398   81.879   1.1471 2.298157 1.617126 
1 1 1   16   31   10 o   83.233   0.8065  6735.95  130.267  6955.17  185.862  6524.29  182.631   84.565   1.1322   81.901   1.1487 2.663788 1.612925 
1 1 1   16   31   11 o   8.6855   2.3409   52.033   55.040   37.727   77.454   66.628   78.229   8.2401   3.2621   9.1310   3.3583 -0.8909130 4.681877 
1 1 1   16   31   12 o   36.786   1.0408  1305.95   71.079  1273.42   87.932  1367.27  120.737   36.157   1.2528   37.416   1.6624 -1.258202 2.081580 
1 1 1   16   31   13 o   6.5260   2.0596 -47.4131   55.956   11.103   78.227 -108.7244   80.074   7.5444   3.1652   5.5077   2.6361 2.036676 4.119166 
1 1 1   16   31   14 o   22.455   1.3077  495.107   56.931  523.392   80.545  466.868   80.480   23.104   1.7959   21.807   1.9012 1.296547 2.615325 
1 1 1   16   31   15 o   27.560   1.0147  741.031   54.074  764.320   80.576  721.948   72.937   27.945   1.4854   27.174   1.3827 0.7705364 2.029315 
1 1 1   16   31   16 o   25.621   1.1582  643.272   57.400  672.075   85.521  619.660   77.433   26.131   1.6860   25.111   1.5885 1.020090 2.316457 
1 1 1   16   31   17 o   26.833   1.1240  709.738   58.510  705.321   84.096  713.881   81.458   26.744   1.6199   26.922   1.5587 -0.1775131 2.248010 
1 1 1   16   31   18 o   40.990   0.8353  1643.94   66.420  1591.87   92.029  1700.55   95.958   40.314   1.1760   41.665   1.1865 -1.350082 1.670505 
1 1 1   16   31   19 o   35.776   0.9375  1259.43   65.095  1288.98   93.004  1231.06   91.140   36.188   1.3240   35.364   1.3276 0.8237381 1.874959 
1 1 1   16   31   20 o   11.269   2.2006  128.244   59.868   8.5773   85.453  243.606   83.902   7.5184   3.2362   15.019   2.9830 -7.500582 4.401299 
1 1 1   16   31   21 o   22.078   1.5047  488.682   63.736  606.418   96.699  398.247   84.750   24.434   2.0388   19.723   2.2137 4.711382 3.009453 
1 1 1   16   32    0 o   9.2910   1.9716   85.793   39.300  106.531   52.404   59.138   59.412   10.250   2.6229   8.3323   2.9443 1.917331 3.943178 
1 1 1   16   32    1 o   51.149   0.6619  2543.95   65.646  2668.25   92.446  2417.51   93.235   52.412   0.9086   49.886   0.9628 2.525661 1.323866 
1 1 1   16   32    2 o   67.959   0.7135  4487.97   94.094  4543.59  131.919  4430.38  134.250   68.389   0.9937   67.529   1.0241 0.8592987 1.426987 
1 1 1   16   32    3 o   24.270   0.9714  578.056   45.114  609.748   60.006  536.855   68.419   25.046   1.2342   23.493   1.5003 1.552933 1.942705 
1 1 1   16   32    4 o   59.749   0.6782  3466.16   78.540  3430.49  107.874  3506.39  114.571   59.423   0.9352   60.074   0.9825 -0.6508293 1.356408 
1 1 1   16   32    5 o   33.783   0.8157  1108.49   53.457  1169.85   76.718  1050.58   74.530   34.692   1.1392   32.875   1.1679 1.817265 1.631496 
1 1 1   16   32    6 o   72.325   0.7372  5083.20  103.489  5152.02  146.574  5014.80  146.137   72.813   1.0370   71.836   1.0480 0.9770737 1.474326 
1 1 1   16   32    7 o   58.385   0.7051  3305.62   79.807  3185.02  109.438  3442.60  116.634   57.251   0.9847   59.519   1.0095 -2.268246 1.410236 
1 1 1   16   32    8 o   19.946   1.3890  387.410   53.657  378.733   73.133  397.526   78.969   19.707   1.9118   20.184   2.0155 -0.4776688 2.777933 
1 1 1   16   32    9 o   63.839   0.7454  3960.60   92.356  3875.23  129.117  4050.04  132.159   63.135   1.0535   64.543   1.0548 -1.408169 1.490840 
1 1 1   16   32   10 o   72.398   0.7585  5098.00  106.489  5099.12  154.009  5096.97  147.405   72.402   1.0958   72.394   1.0489 0.8544922E-02 1.516912 
1 1 1   16   32   11 o   31.445   0.9677  963.567   59.069  971.290   83.530  955.842   83.542   31.572   1.3629   31.318   1.3742 0.2530994 1.935449 
1 1 1   16   32   12 f   73.482   0.7798  5253.31  111.192  5405.09  159.594  5110.13  155.006   74.512   1.1034   72.451   1.1021 2.061363 1.559538 
1 1 1   16   32   13 o   37.058   0.8581  1339.88   61.462  1351.04   83.324  1326.55   91.027   37.236   1.1528   36.881   1.2715 0.3548317 1.716246 
1 1 1   16   32   14 o   26.559   1.0585  689.885   54.565  705.137   77.395  674.813   76.939   26.853   1.4848   26.266   1.5090 0.5869713 2.116991 
1 1 1   16   32   15 o   18.017   1.5032  318.535   52.279  369.743   77.659  276.097   70.697   19.340   2.0686   16.695   2.1814 2.644596 3.006302 
1 1 1   16   32   16 o   37.453   0.8754  1371.62   63.618  1328.31   88.568  1417.80   91.440   36.842   1.2384   38.063   1.2376 -1.221066 1.750782 
1 1 1   16   32   17 o   29.168   1.0790  840.163   60.842  756.109   86.243  923.441   85.845   27.690   1.6045   30.647   1.4430 -2.957251 2.157922 
1 1 1   16   32   18 o   35.270   0.9607  1220.66   65.702  1289.95   95.571  1158.56   90.473   36.217   1.3594   34.323   1.3579 1.893494 1.921426 
1 1 1   16   32   19 o   15.121   2.0721  240.863   59.534  279.702   86.753  206.292   81.848   16.467   2.7140   13.775   3.1317 2.691099 4.144105 
1 1 1   16   32   20 o   9.0568   2.4301   71.573   59.741   45.943   86.635   94.810   82.491   8.4054   3.4080   9.7083   3.4652 -1.302936 4.860252 
1 1 1   16   32   21 o   33.604   1.3642  1177.08   78.868  1069.24  147.120  1220.57   93.427   32.139   2.3582   35.069   1.3724 -2.930176 2.728455 
1 1 1   16   33    0 o   17.052   1.2262  284.567   40.347  303.708   55.427  262.992   58.847   17.668   1.6161   16.435   1.8445 1.232887 2.452346 
1 1 1   16   33    1 o   30.304   0.8466  904.388   48.155  942.805   61.512  843.572   77.394   31.152   1.0172   29.456   1.3536 1.696077 1.693173 
1 1 1   16   33    2 o   71.602   0.7248  4976.98  100.697  4844.09  139.758  5120.45  145.212   70.609   1.0197   72.594   1.0305 -1.985397 1.449678 
1 1 1   16   33    3 o   91.026   0.8464  8054.47  149.550  8112.21  212.438  7997.75  210.566   91.350   1.1980   90.703   1.1959 0.6464462 1.692762 
1 1 1   16   33    4 o   59.721   0.6802  3464.73   78.676  3456.78  107.678  3473.83  115.236   59.649   0.9299   59.792   0.9928 -0.1428986 1.360336 
1 1 1   16   33    5 o   79.816   0.7694  6186.22  119.106  6068.74  164.588  6315.39  172.579   79.023   1.0730   80.610   1.1029 -1.586937 1.538706 
1 1 1   16   33    6 o   59.875   0.7111  3483.84   82.654  3481.31  117.084  3486.37  116.700   59.854   1.0077   59.897   1.0037 -0.4377747E-01 1.422281 
1 1 1   16   33    7 o   51.080   0.7101  2536.73   70.376  2502.16  100.824  2569.56   98.277   50.740   1.0237   51.421   0.9846 -0.6814575 1.420293 
1 1 1   16   33    8 o   9.9114   2.2285   92.938   49.358   63.206   69.475  123.241   70.136   8.7758   3.1743   11.047   3.1286 -2.271246 4.456981 
1 1 1   16   33    9 o   73.730   0.7667  5287.47  109.706  5314.01  153.735  5259.93  156.600   73.920   1.0714   73.540   1.0970 0.3806305 1.533376 
1 1 1   16   33   10 o   74.702   0.7765  5421.08  112.512  5658.97  163.113  5205.14  155.400   76.262   1.1018   73.142   1.0945 3.120682 1.553051 
1 1 1   16   33   11 o   15.153   1.9390  230.346   55.800  247.314   79.665  214.004   78.183   15.840   2.5909   14.465   2.8855 1.374060 3.878002 
1 1 1   16   33   12 f   48.196   0.7735  2261.41   72.345  2285.67  103.706  2238.42  100.971   48.447   1.1028   47.946   1.0849 0.5007553 1.546943 
1 1 1   16   33   13 o   34.214   0.9152  1141.55   60.762  1177.54   87.088  1107.42   84.818   34.739   1.2914   33.688   1.2970 1.051052 1.830315 
1 1 1   16   33   14 o   31.416   0.9306  957.228   56.531  1047.11   84.582  884.665   75.998   32.737   1.3310   30.095   1.3009 2.641773 1.861156 
1 1 1   16   33   15 o   18.289   1.6562  334.394   58.335  385.098   83.067  285.055   81.942   19.695   2.1728   16.883   2.5003 2.811424 3.312440 
1 1 1   16   33   16 o   33.121   0.9709  1074.72   62.291  1105.00   91.581  1048.66   84.977   33.545   1.4064   32.696   1.3389 0.8485832 1.941785 
1 1 1   16   33   17 o   39.117   0.8702  1501.80   65.958  1453.15   95.239  1546.63   91.434   38.494   1.2745   39.741   1.1852 -1.246536 1.740480 
1 1 1   16   33   18 o   41.700   0.8440  1705.13   68.295  1769.29   97.990  1644.51   95.237   42.464   1.1888   40.935   1.1985 1.528378 1.688077 
1 1 1   16   33   19 o   15.911   1.9158  264.844   57.703  267.735   85.374  262.411   78.293   15.830   2.8846   15.992   2.5221 -0.1617241 3.831651 
1 1 1   16   33   20 o   10.744   2.4663  123.118   59.576  162.161   88.604   90.903   80.486   11.974   3.5545   9.5141   3.4199 2.459615 4.932590 
1 1 1   16   33   21 o   9.7991   2.8220   71.262   87.991   2.1527  131.741  126.922  118.230   8.7062   3.8737   10.892   4.1047 -2.185795 5.643963 
1 1 1   16   34    0 f   49.306   0.7358  2353.53   68.454  2325.92   86.875  2398.76  111.175   48.932   0.9146   49.679   1.1528 -0.7476463 1.471575 
1 1 1   16   34    1 o   42.435   0.6811  1751.18   55.997  1778.83   77.160  1720.42   81.393   42.790   0.9289   42.079   0.9965 0.7114754 1.362295 
1 1 1   16   34    2 o   80.029   0.7834  6227.91  121.578  6296.09  168.642  6154.12  175.433   80.488   1.0794   79.570   1.1358 0.9182434 1.566858 
1 1 1   16   34    3 o   48.741   0.6874  2308.57   64.941  2313.66   89.479  2302.92   94.399   48.800   0.9446   48.683   0.9989 0.1162338 1.374786 
1 1 1   16   34    4 o   30.868   1.2390  901.691   62.543  880.131   70.913  977.192  132.703   30.088   1.2141   31.647   2.1601 -1.558968 2.477957 
1 1 1   16   34    5 o   95.498   0.8565  8866.20  158.763  9037.32  225.787  8698.85  223.284   96.410   1.2065   94.586   1.2161 1.823967 1.713006 
1 1 1   16   34    6 f   36.105   0.8133  1271.34   56.811  1370.10   79.567  1168.63   81.141   37.543   1.0918   34.667   1.2057 2.875843 1.626606 
1 1 1   16   34    7 o   80.595   0.7931  6299.31  123.914  6669.52  180.811  5971.46  170.154   82.822   1.1246   78.368   1.1185 4.453270 1.586151 
1 1 1   16   34    8 o   79.432   0.7838  6129.57  120.781  6343.18  174.391  5932.64  167.440   80.760   1.1124   78.104   1.1044 2.656036 1.567528 
1 1 1   16   34    9 o   9.4791   2.3256   80.349   52.707   62.525   77.411   95.753   71.963   8.9774   3.3335   9.9809   3.2436 -1.003516 4.651154 
1 1 1   16   34   10 o   40.512   0.8089  1597.45   63.592  1656.88   90.436  1539.32   89.439   41.259   1.1292   39.765   1.1587 1.493561 1.617876 
1 1 1   16   34   11 o   11.206   2.0763  129.661   50.061   50.436   73.325  198.829   68.514   8.4382   3.2199   13.973   2.6223 -5.534717 4.152567 
1 1 1   16   34   12 o   17.625   1.5790  307.419   53.639  266.081   75.878  348.710   75.836   16.417   2.3810   18.832   2.0745 -2.415314 3.157917 
1 1 1   16   34   13 o   26.186   1.0922  668.720   55.390  703.771   81.787  639.021   75.284   26.814   1.5713   25.558   1.5174 1.256001 2.184396 
1 1 1   16   34   14 o   33.022   0.9438  1066.79   60.467  1022.64   85.334  1111.32   85.693   32.331   1.3597   33.714   1.3094 -1.382351 1.887666 
1 1 1   16   34   15 o   23.100   1.2757  527.037   57.166  549.154   80.932  505.016   80.757   23.592   1.7672   22.608   1.8401 0.9834557 2.551320 
1 1 1   16   34   16 o   41.236   0.8091  1662.58   64.647  1685.14   94.603  1642.83   88.547   41.490   1.1746   40.983   1.1130 0.5063095 1.618196 
1 1 1   16   34   17 o   26.351   1.1023  683.214   55.947  701.873   85.024  668.965   74.298   26.642   1.6440   26.059   1.4688 0.5835953 2.204558 
1 1 1   16   34   18 o   34.059   0.9526  1136.21   62.663  1206.58   94.438  1080.85   83.758   34.979   1.3908   33.139   1.3020 1.840286 1.905174 
1 1 1   16   34   19 o   17.302   1.8939  337.652   57.113  212.357   87.156  431.945   75.609   13.852   3.2901   20.752   1.8770 -6.899368 3.787850 
1 1 1   16   34   20 o   27.215   1.2124  741.211   63.689  758.918   95.692  727.130   85.335   27.464   1.7950   26.966   1.6302 0.4976482 2.424768 
1 1 1   16   35    0 o   26.003   0.8598  658.824   43.089  670.132   57.859  644.743   64.564   26.257   1.1352   25.749   1.2917 0.5077229 1.719611 
1 1 1   16   35    1 o   72.855   0.7402  5156.51  104.661  5326.64  149.301  4992.14  146.758   74.037   1.0388   71.673   1.0548 2.363693 1.480492 
1 1 1   16   35    2 o   65.800   0.7020  4207.25   89.650  4283.35  126.752  4131.07  126.816   66.396   0.9834   65.203   1.0019 1.192192 1.403935 
1 1 1   16   35    3 o   22.582   1.0635  507.528   45.489  609.328   62.731  394.636   66.060   25.032   1.2910   20.131   1.6904 4.900629 2.127032 
1 1 1   16   35    4 o   48.873   0.6909  2321.36   65.534  2274.83   92.766  2367.72   92.593   48.384   0.9877   49.363   0.9663 -0.9791565 1.381762 
1 1 1   16   35    5 o   37.516   0.7890  1364.55   57.364  1430.09   84.198  1307.78   78.366   38.354   1.1309   36.678   1.1007 1.675220 1.578100 
1 1 1   16   35    6 o   32.457   0.8918  1024.80   56.183  1013.59   79.553  1035.97   79.358   32.279   1.2696   32.635   1.2527 -0.3553543 1.783569 
1 1 1   16   35    7 o   29.637   0.9495  853.317   54.569  812.613   75.278  898.394   79.219   28.893   1.3422   30.380   1.3433 -1.486702 1.898908 
1 1 1   16   35    8 o   22.603   1.1891  499.332   52.053  512.115   71.775  485.148   75.602   22.913   1.6137   22.293   1.7471 0.6209202 2.378274 
1 1 1   16   35    9 o   9.3918   2.1121   63.066   49.509  154.348   74.982  -7.4915   65.923   12.251   3.1388   6.5323   2.8270 5.718969 4.224206 
1 1 1   16   35   10 o   34.535   0.8966  1159.41   60.013  1209.55   87.905  1115.64   82.130   35.231   1.2854   33.839   1.2503 1.391712 1.793172 
1 1 1   16   35   11 o   7.6585   2.2046   24.841   51.263   22.721   77.229   26.510   68.540   7.7887   3.1948   7.5282   3.0387 0.2604799 4.409127 
1 1 1   16   35   12 o   37.226   0.8642  1350.70   62.267  1362.34   91.786  1340.79   84.751   37.368   1.2654   37.084   1.1773 0.2839127 1.728354 
1 1 1   16   35   13 o   37.540   1.0470  1428.11   71.285  1232.74  120.390  1533.59   88.459   35.431   1.7504   39.650   1.1493 -4.218609 2.094000 
1 1 1   16   35   14 o   36.969   0.9077  1336.10   65.108  1372.91   93.787  1301.86   90.456   37.459   1.2898   36.479   1.2774 0.9793320 1.815309 
1 1 1   16   35   15 o   32.128   0.9942  1016.68   61.610  982.212   91.526  1045.24   83.312   31.605   1.4918   32.651   1.3145 -1.045496 1.988318 
1 1 1   16   35   16 o   10.506   2.3481  113.254   52.603  120.523   84.829  108.712   67.051   10.804   3.5222   10.209   3.1062 0.5949745 4.696167 
1 1 1   16   35   17 o   31.845   0.9981  989.483   61.211  1073.64   93.916  927.334   80.708   32.992   1.4664   30.698   1.3544 2.294092 1.996204 
1 1 1   16   35   18 o   27.307   1.1900  754.526   61.812  603.933   89.354  892.719   85.596   24.569   1.8736   30.045   1.4677 -5.476158 2.379977 
1 1 1   16   35   19 o   6.5405   2.0270 -52.0835   55.418   49.732   79.340 -149.0835   77.441   8.2779   3.2939   4.8031   2.3635 3.474772 4.054087 
1 1 1   16   35   20 o   7.5256   2.2325   6.6271   59.912 -69.4181   88.179   71.831   81.652   6.1807   2.9005   8.8705   3.3947 -2.689776 4.465075 
1 1 1   16   36    0 o   17.765   1.1890  309.535   40.619  327.723   54.866  287.476   60.422   18.351   1.5402   17.179   1.8119 1.172470 2.378092 
1 1 1   16   36    1 o   43.433   0.7589  1867.03   62.108  1994.71   80.460  1678.78   97.696   45.312   0.9147   41.554   1.2112 3.757877 1.517773 
1 1 1   16   36    2 o   70.138   0.7339  4781.49   99.887  4927.19  141.462  4636.61  141.062   71.205   1.0234   69.071   1.0521 2.134010 1.467751 
1 1 1   16   36    3 o   50.677   0.6992  2484.61   68.626  2317.82   93.421  2680.12  101.141   48.838   0.9854   52.516   0.9921 -3.677990 1.398342 
1 1 1   16   36    4 o   34.653   1.1333  1124.36   64.494  1087.19   73.108  1254.79  136.945   33.441   1.1262   35.865   1.9670 -2.424568 2.266607 
1 1 1   16   36    5 o   13.853   1.8624  202.628   48.186   99.616   68.662  302.597   67.640   10.098   3.1557   17.608   1.9789 -7.509890 3.724803 
1 1 1   16   36    6 o   23.639   1.1293  541.109   51.631  586.096   77.131  504.584   69.499   24.522   1.6204   22.756   1.5734 1.766293 2.258538 
1 1 1   16   36    7 f   18.808   1.4538  354.354   51.774  280.365   75.974  418.506   70.744   16.911   2.3143   20.705   1.7601 -3.793762 2.907574 
1 1 1   16   36    8 o   73.681   0.7707  5282.31  110.229  5272.39  155.332  5292.38  156.448   73.612   1.0870   73.750   1.0928 -0.1384277 1.541394 
1 1 1   16   36    9 o   23.971   1.1413  562.498   52.962  603.465   74.366  520.335   75.444   24.866   1.5407   23.077   1.6841 1.788599 2.282534 
1 1 1   16   36   10 o   36.463   0.8487  1294.97   60.032  1362.82   85.795  1229.89   84.028   37.400   1.1817   35.525   1.2185 1.875134 1.697415 
1 1 1   16   36   11 o   45.441   0.7626  2010.34   67.241  1972.78   93.568  2050.45   96.695   45.003   1.0711   45.878   1.0857 -0.8750420 1.525133 
1 1 1   16   36   12 o   34.267   0.8823  1144.73   58.658  1189.01   84.585  1103.71   81.416   34.904   1.2484   33.629   1.2472 1.275135 1.764632 
1 1 1   16   36   13 o   25.255   1.1649  623.041   56.745  729.758   83.387  531.000   77.441   27.271   1.5752   23.239   1.7167 4.032038 2.329838 
1 1 1   16   36   14 o   6.5865   2.0667 -28.5147   54.284 -71.2143   78.990   9.6989   74.726   5.9101   2.7645   7.2630   3.0728 -1.352964 4.133307 
1 1 1   16   36   15 o   18.974   1.4262  357.653   52.259  364.632   78.265  352.039   70.202   19.119   2.1088   18.829   1.9206 0.2896786 2.852347 
1 1 1   16   36   16 o   6.0747   1.9602 -42.5333   51.933 -74.9525   78.316 -17.0888   69.382   5.7861   2.7211   6.3633   2.8221 -0.5771813 3.920341 
1 1 1   16   36   17 f   10.332   2.4477  111.007   57.980  100.211   84.318  120.690   79.856   10.009   3.5101   10.655   3.4124 -0.6466570 4.895439 
1 1 1   16   36   18 o   28.423   1.1660  802.857   63.786  949.035   92.532  670.497   88.050   30.930   1.5412   25.917   1.7502 5.013136 2.332024 
1 1 1   16   36   19 o   14.258   2.1121  220.310   60.876  375.739   89.815   88.225   82.796   19.070   2.4262   9.4456   3.4578 9.624416 4.224128 
1 1 1   16   37    0 o   25.693   0.9119  638.921   45.274  611.953   60.697  672.743   67.973   25.086   1.2464   26.299   1.3315 -1.213020 1.823828 
1 1 1   16   37    1 o   34.010   0.7594  1111.63   49.853  985.125   66.626  1272.57   75.146   31.836   1.0781   36.184   1.0699 -4.348061 1.518866 
1 1 1   16   37    2 o   40.535   0.9477  1610.30   68.974  1566.92  122.979  1630.21   83.311   40.115   1.5793   40.954   1.0479 -0.8388481 1.895322 
1 1 1   16   37    3 o   58.428   0.7102  3315.99   80.468  3530.07  115.230  3112.23  112.419   60.269   0.9849   56.586   1.0234 3.682072 1.420400 
1 1 1   16   37    4 o   47.066   0.7241  2152.60   66.131  2128.34   91.993  2178.55   95.131   46.793   1.0128   47.340   1.0352 -0.5471764 1.448230 
1 1 1   16   37    5 o   74.685   0.7707  5425.69  111.709  5513.50  157.104  5335.88  158.872   75.299   1.0748   74.072   1.1049 1.226791 1.541451 
1 1 1   16   37    6 o   20.183   1.3216  400.467   51.066  482.449   72.899  321.479   71.555   22.236   1.6889   18.129   2.0333 4.106329 2.643211 
1 1 1   16   37    7 o   15.832   1.6979  249.705   50.627  289.132   72.763  212.708   70.485   17.174   2.1826   14.490   2.6015 2.684200 3.395817 
1 1 1   16   37    8 o   60.583   0.7350  3567.00   86.356  3665.03  125.441  3478.69  119.060   61.372   1.0529   59.795   1.0257 1.576683 1.469981 
1 1 1   16   37    9 o   51.791   0.7343  2610.50   73.808  2624.77  105.465  2596.80  103.328   51.928   1.0463   51.653   1.0305 0.2751656 1.468544 
1 1 1   16   37   10 o   7.8485   2.2161   32.662   50.554   36.556   77.050   29.719   66.988   8.1468   3.2446   7.5503   3.0193 0.5964956 4.432158 
1 1 1   16   37   11 o   18.701   1.5038  341.849   54.181  406.478   80.290  287.810   73.418   20.323   2.0352   17.080   2.2144 3.243624 3.007597 
1 1 1   16   37   12 o   24.959   1.1257  607.804   54.256  639.067   81.754  583.197   72.531   25.521   1.6503   24.398   1.5315 1.122734 2.251392 
1 1 1   16   37   13 f   51.902   0.7530  2628.84   75.844  2650.12  108.874  2608.78  105.715   52.103   1.0765   51.702   1.0533 0.4017410 1.506079 
1 1 1   16   37   14 o   12.118   2.2167  158.916   53.219  123.769   79.550  187.392   71.602   10.892   3.3955   13.345   2.8506 -2.453444 4.433463 
1 1 1   16   37   15 f   35.508   0.8686  1223.03   59.492  1344.92   90.593  1130.61   78.886   37.039   1.2600   33.977   1.1961 3.062248 1.737286 
1 1 1   16   37   16 o   7.1789   2.1821  -9.0193   56.554   41.481   83.172 -52.4490   77.130   8.2962   3.3478   6.0616   2.7996 2.234603 4.364104 
1 1 1   16   37   17 o   17.002   1.9279  302.133   60.642  393.151   88.792  222.565   83.020   19.670   2.3255   14.335   3.0756 5.334758 3.855809 
1 1 1   16   37   18 o   8.6263   2.4231   52.651   61.166   78.721   88.676   28.989   84.481   9.3332   3.5458   7.9194   3.3034 1.413786 4.846174 
1 1 1   16   37   19 o   6.4649   2.0591 -64.6076   60.696 -178.4104   89.225   33.414   82.808   5.0428   2.4919   7.8870   3.2786 -2.844174 4.118110 
1 1 1   16   38    0 o   65.252   0.6986  4138.50   88.476  4206.27  124.825  4070.08  125.424   65.790   0.9774   64.715   0.9984 1.075577 1.397203 
1 1 1   16   38    1 o   35.679   0.7387  1235.93   51.128  1197.01   70.759  1278.45   73.959   35.093   1.0387   36.266   1.0506 -1.173523 1.477378 
1 1 1   16   38    2 o   85.038   0.8101  7030.49  133.700  6977.51  186.768  7086.19  191.480   84.710   1.1358   85.365   1.1555 -0.6544571 1.620268 
1 1 1   16   38    3 o   62.092   0.7070  3746.23   85.187  3697.42  118.541  3798.35  122.501   61.675   0.9901   62.509   1.0096 -0.8343010 1.414072 
1 1 1   16   38    4 o   26.640   0.9899  692.001   51.094  673.652   73.940  708.771   70.686   26.298   1.4484   26.981   1.3496 -0.6831074 1.979714 
1 1 1   16   38    5 o   48.239   0.7294  2259.87   68.249  2345.89   98.967  2181.85   94.245   49.112   1.0381   47.365   1.0250 1.747002 1.458870 
1 1 1   16   38    6 o   26.484   1.0599  685.482   54.368  649.814   78.086  719.042   75.744   25.809   1.5586   27.159   1.4367 -1.350357 2.119736 
1 1 1   16   38    7 o   69.894   0.7552  4751.77  102.436  4660.38  142.917  4848.33  146.899   69.204   1.0639   70.584   1.0721 -1.380234 1.510384 
1 1 1   16   38    8 o   16.274   1.6176  260.605   50.675  218.415   70.304  306.229   73.109   14.888   2.4326   17.659   2.1327 -2.771329 3.235118 
1 1 1   16   38    9 o   8.6844   2.2283   54.150   50.846   12.590   69.804  101.123   74.211   7.1997   3.0030   10.169   3.2931 -2.969473 4.456686 
1 1 1   16   38   10 o   28.032   1.0578  767.664   57.496  820.114   82.472  718.063   80.200   28.967   1.4667   27.097   1.5247 1.869703 2.115639 
1 1 1   16   38   11 o   56.645   0.7279  3127.33   80.027  3074.40  113.627  3179.42  112.728   56.167   1.0422   57.124   1.0166 -0.9568977 1.455885 
1 1 1   16   38   12 o   24.000   1.1987  566.224   55.708  571.153   81.864  561.974   76.025   24.086   1.7509   23.913   1.6378 0.1732311 2.397467 
1 1 1   16   38   13 f   20.916   1.3729  431.944   55.627  471.628   81.221  396.886   76.342   21.823   1.9173   20.009   1.9655 1.813881 2.745766 
1 1 1   16   38   14 o   12.803   2.1971  173.173   54.724  222.271   80.078  130.154   74.958   14.516   2.9426   11.089   3.2635 3.427030 4.394194 
1 1 1   16   38   15 o   18.761   1.5571  353.820   56.545  340.332   82.095  365.996   77.995   18.392   2.2994   19.129   2.1004 -0.7367802 3.114290 
1 1 1   16   38   16 o   16.680   1.9053  289.310   58.931  373.199   86.265  215.902   80.696   19.195   2.3152   14.165   3.0265 5.029260 3.810511 
1 1 1   16   38   17 o   14.274   2.2429  223.418   60.714  256.832   86.329  190.716   85.404   15.433   2.9896   13.115   3.3443 2.317770 4.485783 
1 1 1   16   38   18 o   21.748   1.4350  479.694   60.530  466.699   86.500  492.164   84.732   21.436   2.0787   22.059   1.9788 -0.6230240 2.869955 
1 1 1   16   38   19 o   19.610   1.6639  404.137   62.084  359.864   93.945  438.463   82.721   18.496   2.6166   20.725   2.0562 -2.229105 3.327873 
1 1 1   16   39    0 o   11.148   1.8017  123.246   41.254   54.911   57.175  197.454   59.582   8.0810   2.8848   14.215   2.1593 -6.133827 3.603430 
1 1 1   16   39    1 o   58.588   0.6941  3339.07   78.875  3443.52  110.678  3231.27  112.435   59.522   0.9579   57.654   1.0046 1.867668 1.388108 
1 1 1   16   39    2 o   29.344   0.8629  837.731   49.118  835.680   68.149  839.949   70.857   29.308   1.1979   29.380   1.2424 -0.7211685E-01 1.725815 
1 1 1   16   39    3 o   24.168   1.0506  570.353   49.153  617.424   69.372  522.897   69.654   25.176   1.4195   23.161   1.5493 2.015251 2.101245 
1 1 1   16   39    4 o   64.851   0.7187  4090.71   90.464  4116.63  127.206  4064.18  128.676   65.060   1.0072   64.642   1.0255 0.4181061 1.437380 
1 1 1   16   39    5 f   23.579   1.1497  543.628   52.514  523.447   75.849  562.208   72.778   23.153   1.6876   24.005   1.5618 -0.8523197 2.299411 
1 1 1   16   39    6 o   53.509   0.8578  2808.40   86.539  2876.21  110.723  2701.94  138.728   54.368   1.0491   52.650   1.3574 1.717743 1.715557 
1 1 1   16   39    7 o   68.148   0.7561  4518.89  100.002  4642.63  143.006  4400.48  139.895   69.061   1.0667   67.235   1.0719 1.826118 1.512228 
1 1 1   16   39    8 o   28.371   1.0122  785.894   55.739  767.710   78.567  804.321   79.089   28.040   1.4435   28.703   1.4195 -0.6636429 2.024454 
1 1 1   16   39    9 o   18.915   1.3888  358.310   49.986  298.108   73.861  409.181   67.896   17.393   2.1877   20.437   1.7114 -3.044094 2.777572 
1 1 1   16   39   10 o   22.085   1.2334  478.401   52.712  476.244   71.699  480.938   77.760   22.040   1.6758   22.130   1.8101 -0.8992577E-01 2.466788 
1 1 1   16   39   11 o   27.191   1.0873  727.511   57.137  652.476   81.122  801.381   80.490   25.780   1.6210   28.603   1.4497 -2.823277 2.174698 
1 1 1   16   39   12 o   32.237   0.9419  1019.45   58.808  1044.37   81.124  991.841   85.374   32.664   1.2794   31.809   1.3826 0.8546219 1.883768 
1 1 1   16   39   13 o   35.265   0.8674  1207.71   59.106  1335.49   88.858  1106.31   79.159   36.920   1.2398   33.610   1.2133 3.310230 1.734732 
1 1 1   16   39   14 f   13.073   2.1935  181.399   54.982  212.460   80.351  154.049   75.398   14.149   3.0176   11.997   3.1845 2.151510 4.387098 
1 1 1   16   39   15 o   6.2792   2.0334 -45.5842   56.063 -61.8016   81.197 -30.8089   77.502   6.1031   2.8374   6.4553   2.9135 -0.3521829 4.066811 
1 1 1   16   39   16 o   30.101   1.0564  896.461   61.615  826.149   86.270  969.668   88.029   28.879   1.5389   31.323   1.4477 -2.444431 2.112873 
1 1 1   16   39   17 o   7.5602   2.2614   17.967   56.901   30.040   85.680   8.4409   76.107   7.9866   3.3287   7.1338   3.0620 0.8528171 4.522894 
1 1 1   16   39   18 o   14.670   2.0678  224.853   57.593  343.540   89.548  141.123   75.213   18.137   2.5434   11.202   3.2611 6.934903 4.135686 
1 1 1   16   40    0 o   60.329   0.9119  3451.47   92.957  3361.52  106.973  3728.83  187.847   58.806   0.9371   61.852   1.5645 -3.045780 1.823722 
1 1 1   16   40    1 o   22.656   1.0549  499.478   46.290  454.697   64.228  547.879   66.773   21.598   1.5319   23.713   1.4506 -2.115229 2.109754 
1 1 1   16   40    2 o   32.332   0.8132  1017.88   51.008  1042.69   71.467  992.125   72.825   32.736   1.1246   31.929   1.1750 0.8072433 1.626471 
1 1 1   16   40    3 o   13.263   1.8899  178.820   47.627  141.939   68.198  213.931   66.542   11.761   2.9828   14.764   2.3218 -3.003198 3.779879 
1 1 1   16   40    4 o   15.218   1.6566  232.193   47.275  268.847   66.741  195.283   66.973   16.566   2.0755   13.870   2.5826 2.695962 3.313189 
1 1 1   16   40    5 o   50.177   0.7067  2449.49   68.817  2452.86   96.263  2445.96   98.416   50.214   0.9876   50.140   1.0111 0.7350922E-01 1.413412 
1 1 1   16   40    6 o   44.091   0.7216  1891.94   61.758  1899.83   87.280  1884.02   87.398   44.183   1.0176   43.998   1.0233 0.1848907 1.443155 
1 1 1   16   40    7 o   46.861   0.7499  2133.81   68.144  2242.00   99.170  2037.03   93.796   47.983   1.0647   45.738   1.0564 2.244774 1.499872 
1 1 1   16   40    8 o   14.784   1.9265  223.947   53.197  294.973   76.213  156.460   74.289   17.292   2.2704   12.276   3.1129 5.015898 3.852948 
1 1 1   16   40    9 o   11.036   2.2884  125.349   52.518  108.291   76.446  140.596   72.273   10.435   3.3384   11.637   3.1309 -1.201282 4.576833 
1 1 1   16   40   10 o   12.896   2.1196  173.896   51.934  171.380   76.685  176.028   70.584   12.786   3.1177   13.006   2.8724 -0.2197399 4.239204 
1 1 1   16   40   11 o   35.771   0.8762  1250.76   60.723  1262.21   88.830  1240.71   83.197   35.917   1.2741   35.625   1.2031 0.2916794 1.752330 
1 1 1   16   40   12 f   16.243   1.7522  266.094   55.060  248.891   79.265  282.134   76.540   15.706   2.5999   16.780   2.3498 -1.074601 3.504436 
1 1 1   16   40   13 o   23.182   1.2591  526.099   56.311  612.899   84.464  456.653   75.550   24.893   1.7480   21.472   1.8126 3.421103 2.518124 
1 1 1   16   40   14 o   9.6965   2.3971   90.156   56.433  115.327   79.651   64.785   79.966   10.523   3.4120   8.8700   3.3678 1.652946 4.794177 
1 1 1   16   40   15 o   6.6985   2.1199 -23.2073   56.680 -24.3209   80.135 -22.0924   80.180   6.6762   2.9921   6.7207   3.0038 -0.4445887E-01 4.239722 
1 1 1   16   40   16 o   17.158   1.7652  303.915   58.153  288.551   87.417  316.112   77.888   16.687   2.6986   17.628   2.2762 -0.9405785 3.530359 
1 1 1   16   40   17 o   17.463   1.7410  311.581   58.532  343.820   90.054  287.999   77.019   18.198   2.5493   16.729   2.3718 1.469246 3.481963 
1 1 1   16   40   18 o   17.870   1.8798  346.968   61.795  283.270   91.546  400.288   83.757   16.000   3.0590   19.739   2.1859 -3.738842 3.759690 
1 1 1   16   41    0 o   27.094   1.2677  644.397   55.041  594.966   61.269  851.152  125.304   24.718   1.2769   29.471   2.1903 -4.752747 2.535346 
1 1 1   16   41    1 o   40.668   1.0587  1598.37   80.213  1562.74   99.725  1663.65  135.001   40.057   1.2825   41.279   1.6848 -1.221897 2.117363 
1 1 1   16   41    2 o   26.587   1.3294  701.682   60.338  713.656   70.582  669.176  116.290   27.063   1.3435   26.110   2.2944 0.9537468 2.658839 
1 1 1   16   41    3 o   33.568   1.1092  1154.22   64.744  1234.29   77.720  972.671  117.029   35.610   1.1244   31.526   1.9123 4.083839 2.218370 
1 1 1   16   41    4 o   31.822   0.8591  988.097   52.866  964.996   77.751  1007.96   72.096   31.469   1.2728   32.174   1.1544 -0.7041416 1.718286 
1 1 1   16   41    5 o   28.856   0.9383  811.443   52.519  824.581   76.008  799.440   72.652   29.077   1.3466   28.635   1.3071 0.4427261 1.876634 
1 1 1   16   41    6 o   18.191   1.4154  325.349   49.806  291.888   69.947  359.762   70.934   17.231   2.0911   19.151   1.9081 -1.919138 2.830877 
1 1 1   16   41    7 o   27.360   0.9883  731.140   52.408  785.643   74.737  678.414   73.510   28.368   1.3572   26.352   1.4370 2.016180 1.976632 
1 1 1   16   41    8 o   26.295   1.0417  676.251   53.096  629.443   74.523  724.508   75.668   25.365   1.5135   27.224   1.4318 -1.859447 2.083486 
1 1 1   16   41    9 o   17.762   1.5547  311.168   53.293  360.130   77.653  267.572   73.274   19.094   2.0951   16.429   2.2976 2.664545 3.109366 
1 1 1   16   41   10 o   22.445   1.2501  490.275   54.126  567.216   81.754  430.235   72.220   23.996   1.7551   20.894   1.7806 3.101889 2.500193 
1 1 1   16   41   11 o   15.737   1.9226  266.632   54.907  171.334   80.143  350.933   75.377   12.682   3.2428   18.792   2.0663 -6.109982 3.845175 
1 1 1   16   41   12 o   10.334   2.2777  111.367   51.468   84.740   76.808  133.066   69.338   9.4708   3.3476   11.196   3.0895 -1.725600 4.555342 
1 1 1   16   41   13 o   14.045   2.0779  207.940   56.457  299.069   81.750  124.846   78.063   17.212   2.4468   10.878   3.3591 6.333439 4.155773 
1 1 1   16   41   14 o   10.709   2.3681  115.717   57.976  177.596   83.774   58.840   80.316   12.748   3.3438   8.6709   3.3541 4.077072 4.736172 
1 1 1   16   41   15 o   24.590   1.2298  603.953   58.331  589.219   86.886  616.044   78.705   24.277   1.8437   24.903   1.6281 -0.6265850 2.459658 
1 1 1   16   41   16 o   7.9288   2.2946   27.723   57.644   70.564   84.400  -9.7350   78.919   9.0036   3.4500   6.8540   3.0263 2.149594 4.589183 
1 1 1   16   41   17 o   8.5386   2.3787   52.679   60.185   9.5113   85.721   94.648   84.521   7.4509   3.2241   9.6262   3.4983 -2.175276 4.757389 
1 1 1   16   42    0 o   49.470   0.9626  2461.19   78.499  2534.21   90.540  2240.10  157.540   51.051   0.9136   47.889   1.6947 3.161709 1.925283 
1 1 1   16   42    1 o   61.565   0.9520  3767.47  100.818  3857.11  118.628  3534.36  191.305   62.971   0.9705   60.159   1.6382 2.812317 1.904052 
1 1 1   16   42    2 o   38.845   1.0934  1483.70   69.495  1493.10   79.404  1452.93  143.660   39.170   1.0443   38.520   1.9213 0.6507950 2.186735 
1 1 1   16   42    3 o   12.391   2.5663  153.750   58.889  154.958   66.943  149.614  123.840   12.268   2.8632   12.514   4.2599 -0.2455330 5.132660 
1 1 1   16   42    4 o   36.837   0.7887  1325.15   55.928  1292.54   84.169  1350.93   74.839   36.421   1.1905   37.252   1.0349 -0.8314209 1.577469 
1 1 1   16   42    5 o   49.007   0.7204  2329.04   68.319  2451.99  101.568  2227.46   92.326   50.180   1.0427   47.835   0.9943 2.345634 1.440783 
1 1 1   16   42    6 o   35.234   0.8326  1206.28   56.823  1270.08   83.767  1151.89   77.337   36.091   1.1957   34.376   1.1590 1.715508 1.665162 
1 1 1   16   42    7 o   26.409   1.0679  683.854   54.623  643.963   78.235  721.796   76.300   25.647   1.5714   27.171   1.4466 -1.523499 2.135891 
1 1 1   16   42    8 o   16.089   1.7193  258.766   50.976  348.085   75.981  185.653   68.742   18.775   2.0848   13.404   2.7346 5.371075 3.438667 
1 1 1   16   42    9 o   22.949   1.1976  518.942   53.159  573.001   75.559  465.961   74.803   24.149   1.6119   21.749   1.7718 2.399702 2.395278 
1 1 1   16   42   10 o   29.936   0.9850  877.766   57.170  941.952   82.387  818.154   79.397   30.996   1.3693   28.877   1.4164 2.118731 1.970066 
1 1 1   16   42   11 o   28.389   1.0463  793.335   57.619  764.345   81.821  821.853   81.153   27.866   1.5126   28.913   1.4460 -1.046701 2.092554 
1 1 1   16   42   12 o   14.357   1.9965  213.075   54.297  303.180   80.349  137.345   73.661   17.360   2.3843   11.354   3.2030 6.005749 3.992990 
1 1 1   16   42   13 o   21.216   1.3846  451.695   56.687  416.993   82.495  482.740   78.027   20.401   2.0831   22.031   1.8245 -1.629810 2.769170 
1 1 1   16   42   14 o   33.888   0.9181  1134.36   60.168  1070.29   87.305  1192.32   83.036   32.949   1.3650   34.828   1.2282 -1.879070 1.836248 
1 1 1   16   42   15 o   21.530   1.3478  464.844   56.292  443.058   78.319  488.128   80.966   21.003   1.9210   22.057   1.8910 -1.053869 2.695601 
1 1 1   16   42   16 o   13.035   2.3404  191.130   59.339  186.235   84.566  195.878   83.286   12.849   3.3544   13.220   3.2647 -0.3711109 4.680859 
1 1 1   16   42   17 o   14.944   2.1931  243.299   62.938  338.632   93.779  165.169   84.898   17.897   2.6993   11.990   3.4573 5.907257 4.386284 
1 1 1   16   43    0 o   38.639   1.0225  1463.99   65.863  1471.09   75.862  1442.27  132.733   38.882   1.0051   38.396   1.7809 0.4864273 2.044907 
1 1 1   16   43    1 o   27.835   1.2660  791.061   57.901  822.964   66.910  695.945  115.533   29.065   1.1859   26.604   2.2371 2.461161 2.532013 
1 1 1   16   43    2 o   60.099   0.9124  3547.13   96.739  3583.47  115.260  3460.51  177.943   60.682   0.9785   59.517   1.5402 1.165768 1.824728 
1 1 1   16   43    3 o   15.070   2.3363  269.606   59.472  306.755   68.090  150.095  122.129   17.676   1.9844   12.463   4.2304 5.212906 4.672697 
1 1 1   16   43    4 o   11.894   2.5200  153.561   62.265  180.825   72.306   75.331  122.479   13.233   2.8952   10.555   4.1255 2.678773 5.040028 
1 1 1   16   43    5 o   20.319   1.8233  418.743   63.559  430.272   74.846  388.928  120.363   20.939   1.8414   19.700   3.1475 1.238657 3.646538 
1 1 1   16   43    6 o   18.304   1.4079  328.654   49.896  345.074   73.842  314.858   67.686   18.718   2.0322   17.890   1.9490 0.8278694 2.815770 
1 1 1   16   43    7 o   9.6671   2.3096   89.616   51.608   79.125   75.957   98.612   70.336   9.3743   3.3273   9.9599   3.2039 -0.5855751 4.619112 
1 1 1   16   43    8 o   13.147   2.1187  179.604   53.460  236.749   78.487  130.146   73.018   15.130   2.7746   11.164   3.2026 3.966625 4.237357 
1 1 1   16   43    9 o   34.836   0.8514  1184.95   57.496  1225.00   83.950  1149.57   78.906   35.386   1.2222   34.287   1.1856 1.098763 1.702712 
1 1 1   16   43   10 o   24.748   1.1763  606.149   56.310  580.074   82.013  629.404   77.450   24.223   1.7442   25.273   1.5787 -1.050695 2.352541 
1 1 1   16   43   11 f   13.493   2.0758  188.842   52.944  247.589   79.959  142.979   70.649   15.398   2.7773   11.588   3.0858 3.809796 4.151528 
1 1 1   16   43   12 o   9.4895   2.3750   81.906   56.490  120.693   80.489   44.255   79.302   10.719   3.4252   8.2597   3.2910 2.459645 4.750032 
1 1 1   16   43   13 o   16.012   1.8450  266.887   55.705  253.210   81.894  278.665   75.995   15.453   2.8345   16.571   2.3625 -1.118305 3.689954 
1 1 1   16   43   14 f   27.901   1.0974  777.932   58.856  718.929   87.408  826.874   79.608   26.876   1.6754   28.925   1.4178 -2.049276 2.194796 
1 1 1   16   43   15 o   17.994   1.7634  334.494   61.263  332.026   91.156  336.527   82.734   17.874   2.6272   18.114   2.3529 -0.2395210 3.526817 
1 1 1   16   43   16 o   7.8752   2.3541   26.448   61.622   29.458   92.435   24.039   82.672   8.0927   3.4203   7.6576   3.2354 0.4351645 4.708166 
1 1 1   16   44    0 o   27.590   1.4706  823.214   60.866  875.787   68.620  629.232  131.809   29.979   1.1791   25.200   2.6945 4.778545 2.941181 
1 1 1   16   44    1 o   24.077   1.5837  585.283   60.307  596.287   68.255  546.113  128.771   24.712   1.4229   23.443   2.8297 1.269001 3.167302 
1 1 1   16   44    2 o   28.278   1.2668  691.106   62.165  593.031   71.301  1001.94  126.934   24.634   1.4911   31.923   2.0484 -7.289150 2.533585 
1 1 1   16   44    3 o   61.704   0.9043  3742.08   99.503  3784.93  119.521  3645.33  179.606   62.349   0.9875   61.059   1.5153 1.289833 1.808698 
1 1 1   16   44    4 o   40.447   0.9986  1597.20   72.897  1594.75   88.140  1602.49  129.684   40.448   1.1226   40.446   1.6518 0.2410889E-02 1.997113 
1 1 1   16   44    5 o   36.726   1.1062  1388.04   68.526  1466.86   80.573  1182.00  130.276   38.794   1.0699   34.658   1.9364 4.135311 2.212317 
1 1 1   16   44    6 o   12.920   2.5325  171.733   60.977  168.648   71.546  179.922  116.566   12.710   2.9557   13.130   4.1131 -0.4199896 5.064957 
1 1 1   16   44    7 o   9.3153   2.2089   72.187   50.082  134.087   75.461   23.460   66.952   11.321   3.2581   7.3092   2.9837 4.012340 4.417864 
1 1 1   16   44    8 o   20.595   1.3467  419.595   53.517  482.141   77.078  361.376   74.363   22.098   1.7968   19.092   2.0065 3.006611 2.693460 
1 1 1   16   44    9 o   13.694   2.0158  199.914   52.650  142.160   76.718  251.332   72.388   11.559   3.2716   15.828   2.3561 -4.268235 4.031645 
1 1 1   16   44   10 o   26.606   1.1020  697.166   56.903  717.032   81.422  678.199   79.557   26.977   1.5548   26.235   1.5622 0.7425385 2.204077 
1 1 1   16   44   11 o   7.6218   2.0966   5.7154   54.115 -107.4821   81.285   95.825   72.524   5.4957   2.6371   9.7479   3.2602 -4.252178 4.193196 
1 1 1   16   44   12 o   10.011   2.2536   95.334   56.549   8.3255   82.935  170.931   77.306   7.4741   3.2019   12.548   3.1720 -5.074186 4.507123 
1 1 1   16   44   13 o   14.743   2.0939  232.382   58.710  287.106   83.783  179.585   82.295   16.716   2.5820   12.770   3.2971 3.945952 4.187832 
1 1 1   16   44   14 o   19.416   1.5564  383.033   58.626  401.184   83.866  365.686   81.986   19.877   2.1736   18.956   2.2281 0.9209881 3.112706 
1 1 1   16   44   15 o   12.639   2.3648  181.293   59.053  166.962   85.543  194.339   81.622   12.114   3.4638   13.165   3.2204 -1.051773 4.729552 
1 1 1   16   45    0 o   12.952   2.4097  151.715   54.298  128.259   61.941  229.555  112.839   11.143   2.8518   14.761   3.8851 -3.618621 4.819384 
1 1 1   16   45    1 o   11.093   2.5752   97.436   57.164   70.662   65.460  183.438  117.319   8.8498   3.0934   13.337   4.1180 -4.487102 5.150391 
1 1 1   16   45    2 o   11.270   2.6355  113.472   60.105  100.078   69.290  154.178  120.799   10.032   3.1751   12.509   4.2075 -2.477311 5.271064 
1 1 1   16   45    3 o   16.468   2.2781  290.795   61.664  304.185   71.384  251.429  122.401   17.565   2.0935   15.370   4.0468 2.195383 4.556259 
1 1 1   16   45    4 o   31.522   1.1768  968.599   64.592  960.705   75.963  989.206  122.728   31.366   1.2476   31.679   1.9958 -0.3126736 2.353652 
1 1 1   16   45    5 o   7.6556   2.2218   18.268   55.608   59.826   66.306 -80.2675  102.099   8.4420   3.0938   6.8692   3.1896 1.572819 4.443521 
1 1 1   16   45    6 o   13.568   2.4760  182.333   59.423  166.679   68.845  228.073  117.680   12.616   2.8752   14.520   4.0318 -1.903983 4.952017 
1 1 1   16   45    7 o   15.285   2.3206  217.109   61.859  171.931   72.482  338.245  118.686   12.767   2.9790   17.803   3.5588 -5.035178 4.641102 
1 1 1   16   45    8 o   17.253   1.8200  291.587   57.893  273.148   70.588  329.472  101.183   16.535   2.1992   17.971   2.9005 -1.436312 3.639974 
1 1 1   16   45    9 o   13.024   1.9991  177.842   50.846  247.712   72.839  111.434   71.011   15.698   2.3903   10.350   3.2051 5.348522 3.998267 
1 1 1   16   45   10 o   16.754   1.8053  291.660   55.210  388.331   79.614  202.102   76.630   19.714   2.0804   13.795   2.9509 5.919617 3.610565 
1 1 1   16   45   11 o   9.5185   2.3833   87.424   55.321   74.447   78.696  100.102   77.784   9.1031   3.3648   9.9339   3.3761 -0.8307734 4.766541 
1 1 1   16   45   12 o   10.113   2.3298  106.021   52.640  126.903   77.682   88.291   71.581   10.844   3.3513   9.3829   3.2373 1.461121 4.659541 
1 1 1   16   45   13 o   9.0672   2.3902   73.887   56.747   55.992   78.958   93.005   81.611   8.4741   3.3124   9.6603   3.4468 -1.186250 4.780380 
1 1 1   16   45   14 o   7.3733   2.2305   11.195   57.272   31.215   80.096  -9.7500   81.926   7.7936   3.2308   6.9530   3.0760 0.8405995 4.460960 
1 1 1   16   45   15 o   8.5748   2.3964   58.591   59.824   33.480   87.977   80.188   81.592   8.0358   3.3632   9.1139   3.4147 -1.078081 4.792840 
1 1 1   16   46    0 o   18.394   2.0296  330.370   58.463  320.427   65.998  366.612  126.003   18.056   1.8829   18.732   3.5960 -0.6753998 4.059134 
1 1 1   16   46    1 o   25.819   1.3779  637.753   61.341  617.099   71.319  696.468  120.246   25.116   1.4628   26.522   2.3356 -1.406002 2.755866 
1 1 1   16   46    2 o   9.4967   2.5073   75.964   60.305   99.203   69.231   2.8763  122.776   9.9723   3.1756   9.0211   3.8811 0.9512129 5.014691 
1 1 1   16   46    3 o   30.392   1.2182  893.694   65.066  874.944   76.758  941.568  122.651   29.913   1.3219   30.872   2.0467 -0.9588585 2.436431 
1 1 1   16   46    4 o   25.397   1.5434  673.565   65.715  712.494   77.137  570.526  125.494   26.957   1.4741   23.838   2.7120 3.119509 3.086752 
1 1 1   16   46    5 o   9.2951   2.5438   65.358   61.809   73.821   73.171   44.278  115.487   9.0778   3.2611   9.5125   3.9049 -0.4346466 5.087541 
1 1 1   16   46    6 o   22.140   1.5345  482.125   62.300  469.880   76.089  507.031  108.515   21.807   1.7974   22.472   2.4876 -0.6646957 3.069020 
1 1 1   16   46    7 o   12.664   2.4939  182.206   62.228  205.204   73.246  122.539  117.978   13.989   2.7951   11.338   4.1311 2.650869 4.987852 
1 1 1   16   46    8 o   14.547   2.3395  208.259   60.076  179.006   71.080  281.411  112.402   13.013   2.8891   16.081   3.6804 -3.067429 4.678902 
1 1 1   16   46    9 o   29.948   1.2427  877.143   65.964  860.578   78.356  917.445  122.217   29.591   1.3641   30.305   2.0775 -0.7143955 2.485334 
1 1 1   16   46   10 o   12.513   2.5339  173.054   62.057  180.119   74.079  156.430  113.637   12.950   3.0049   12.077   4.0808 0.8734531 5.067739 
1 1 1   16   46   11 o   20.625   1.3810  428.190   54.890  371.892   77.846  483.855   77.407   19.225   2.0860   22.025   1.8105 -2.800198 2.762097 
1 1 1   16   46   12 o   6.9283   2.0517 -24.2441   52.693   70.253   76.627 -109.0139   72.576   8.8502   3.3105   5.0065   2.4244 3.843708 4.103354 
1 1 1   16   46   13 o   13.547   2.2380  203.337   57.891  221.826   81.682  184.677   82.060   14.230   3.0488   12.864   3.2771 1.366154 4.476021 
1 1 1   16   46   14 o   26.197   1.2629  690.912   64.195  718.191   91.881  664.897   89.728   26.709   1.7722   25.684   1.7997 1.024500 2.525743 
1 1 1   16   47    0 o   19.362   1.7703  339.672   58.682  306.080   67.150  448.233  120.717   17.616   1.9637   21.108   2.9462 -3.492010 3.540633 
1 1 1   16   47    1 o   15.844   2.3544  302.240   62.335  345.034   71.991  174.043  124.603   18.692   1.9841   12.996   4.2704 5.696395 4.708761 
1 1 1   16   47    2 o   32.804   1.2546  1102.33   68.238  1146.02   79.199  976.457  134.437   34.248   1.1913   31.360   2.2084 2.887751 2.509229 
1 1 1   16   47    3 o   19.616   1.7739  357.596   62.492  317.371   73.727  460.240  117.772   17.882   2.1239   21.349   2.8418 -3.466923 3.547800 
1 1 1   16   47    4 o   8.0534   2.3943   15.812   60.464   5.4070   74.302   36.209  104.034   7.1423   3.0445   8.9644   3.6962 -1.822047 4.788576 
1 1 1   16   47    5 o   18.659   1.8993  327.386   64.032  288.984   75.909  422.120  119.226   16.995   2.3009   20.322   3.0224 -3.326126 3.798525 
1 1 1   16   47    6 o   9.5217   2.2901   78.195   62.367  152.830   74.584 -95.3044  113.717   11.966   3.1630   7.0778   3.3127 4.887911 4.580226 
1 1 1   16   47    7 o   25.067   1.4314  644.606   64.974  685.090   80.342  568.073  110.463   26.365   1.5698   23.769   2.3941 2.595692 2.862861 
1 1 1   16   47    8 o   11.988   2.6838  132.767   65.154   98.474   76.833  220.556  122.932   9.9121   3.3555   14.064   4.1895 -4.151565 5.367620 
1 1 1   16   47    9 o   33.283   1.1511  1118.59   71.182  1181.33   90.173  1014.87  115.952   34.652   1.3406   31.914   1.8717 2.737358 2.302228 
1 1 1   16   47   10 o   30.976   1.3237  975.283   73.251  1004.22   88.699  913.233  129.896   31.893   1.4327   30.058   2.2262 1.835621 2.647412 
1 1 1   16   47   11 o   27.408   1.3949  726.352   69.866  674.273   84.265  840.904  124.973   26.030   1.6677   28.787   2.2365 -2.756695 2.789764 
1 1 1   16   47   12 o   25.684   1.5873  684.095   73.190  705.653   89.148  639.517  128.194   26.568   1.7286   24.801   2.6628 1.767056 3.174674 
1 1 1   16   47   13 o   7.9100   2.4400   8.2059   70.387   32.317   88.750 -32.6711  115.557   8.0661   3.3771   7.7538   3.5227 0.3123555 4.879960 
1 1 1   16   48    0 o   12.762   2.4738  183.525   60.647  204.880   70.342  121.675  119.710   14.069   2.6733   11.455   4.1632 2.614378 4.947611 
1 1 1   16   48    1 o   26.912   1.3423  697.034   63.041  673.736   73.841  759.665  121.070   26.206   1.4516   27.618   2.2583 -1.412174 2.684590 
1 1 1   16   48    2 o   10.176   2.4579  104.751   59.625  134.488   69.574   22.496  115.711   11.297   3.0855   9.0549   3.8269 2.241682 4.915841 
1 1 1   16   48    3 o   29.815   1.3105  852.408   66.587  823.852   76.914  937.850  133.043   28.980   1.3672   30.650   2.2361 -1.669743 2.621000 
1 1 1   16   48    4 o   9.1738   2.4764   69.270   59.600   88.736   69.668   16.141  115.096   9.4830   3.1952   8.8646   3.7841 0.6184101 4.952703 
1 1 1   16   48    5 o   22.857   1.5012  505.133   63.976  466.558   78.852  579.445  109.442   21.689   1.8729   24.025   2.3467 -2.335810 3.002465 
1 1 1   16   48    6 o   18.021   2.0129  306.559   66.034  264.630   78.669  406.559  121.490   16.193   2.5028   19.848   3.1532 -3.655794 4.025726 
1 1 1   16   48    7 o   27.717   1.4384  795.733   70.039  841.649   84.488  694.854  125.232   29.223   1.4894   26.211   2.4613 3.012352 2.876843 
1 1 1   16   48    8 o   27.130   1.4082  736.419   69.881  737.237   85.706  734.796  120.700   27.288   1.6180   26.971   2.3054 0.3169918 2.816494 
1 1 1   16   48    9 o   31.007   1.2930  929.520   72.230  882.201   86.313  1040.09  131.938   29.873   1.4884   32.140   2.1147 -2.267029 2.586027 
1 1 1   16   48   10 o   17.647   2.2091  367.895   66.101  431.043   81.213  243.960  113.774   20.695   2.0216   14.598   3.9285 6.096636 4.418120 
1 1 1   16   48   11 o   8.1029   2.4873   6.0754   68.636  -9.7400   83.977   37.899  119.122   7.0639   3.1202   9.1418   3.8743 -2.077869 4.974534 
1 1 1   16   48   12 o   8.1931   2.4382   17.386   71.549   79.547   88.375 -100.8748  121.897   9.2817   3.5365   7.1046   3.3575 2.177125 4.876477 
1 1 1   16   48   13 o   13.993   2.6364  199.255   76.661   96.751   95.583  384.086  128.350   9.8217   3.6928   18.164   3.7638 -8.342632 5.272851 
1 1 1   16   49    0 o   26.951   1.4205  681.654   65.266  641.670   75.021  806.116  132.361   25.546   1.5128   28.356   2.4046 -2.810003 2.840914 
1 1 1   16   49    1 o   24.054   1.6496  557.576   65.834  537.805   75.046  623.598  137.143   23.351   1.6556   24.758   2.8536 -1.407187 3.299119 
1 1 1   16   49    2 o   35.835   1.1472  1305.48   70.136  1352.68   82.501  1182.50  133.190   37.183   1.1430   34.488   1.9895 2.695065 2.294456 
1 1 1   16   49    3 o   17.711   2.0856  358.937   61.731  415.654   75.465  244.231  107.320   20.465   1.8996   14.956   3.7136 5.508904 4.171245 
1 1 1   16   49    4 o   39.937   1.0799  1579.61   74.841  1591.02   88.197  1550.25  141.451   40.327   1.1267   39.547   1.8426 0.7807388 2.159760 
1 1 1   16   49    5 o   37.005   1.1449  1352.45   74.461  1353.07   88.329  1350.92  138.426   37.154   1.2247   36.856   1.9348 0.2982979 2.289879 
1 1 1   16   49    6 o   22.548   1.5626  503.982   64.913  489.596   79.647  532.441  112.023   22.189   1.8491   22.906   2.5194 -0.7169552 3.125139 
1 1 1   16   49    7 o   37.115   1.2818  1354.14   92.350  1354.14   92.350   0.0000   0.0000   37.115   1.2818  ?   ?       ?      ? 
1 1 1   16   49    8 o   28.550   1.5533  823.436   86.062  840.710  121.414  805.993  122.007   28.866   2.1668   28.234   2.2261 0.6320763 3.106584 
1 1 1   16   49    9 o   13.850   2.5783  178.452   68.381  109.344   81.307  345.465  126.398   10.220   3.4518   17.480   3.8309 -7.259729 5.156619 
1 1 1   16   49   10 o   11.064   2.6358  119.258   66.665   75.835   83.872  193.764  109.863   9.1522   3.4553   12.976   3.9814 -3.823728 5.271660 
1 1 1   16   49   11 o   18.165   2.3125  374.734   72.267  396.650   87.391  327.334  128.519   19.658   2.2901   16.673   4.0182 2.985634 4.625022 
1 1 1   16   49   12 o   23.136   1.6505  563.139   71.320  594.538   91.229  513.789  114.373   24.201   1.9419   22.072   2.6695 2.129726 3.301066 
1 1 1   16   50    0 o   38.868   1.0609  1481.07   71.694  1473.81   84.322  1500.03  136.194   38.816   1.1191   38.920   1.8027 -0.1039391 2.121793 
1 1 1   16   50    1 o   32.179   1.1689  1024.28   66.093  1027.31   78.440  1016.84  122.722   32.377   1.2481   31.980   1.9769 0.3966408 2.337867 
1 1 1   16   50    2 o   19.159   2.0251  364.704   62.852  351.058   71.946  408.680  129.154   18.790   1.9725   19.528   3.5374 -0.7381382 4.050200 
1 1 1   16   50    3 o   11.474   2.3492  155.084   62.072  209.364   72.507   6.1530  120.102   14.132   2.7420   8.8153   3.8154 5.316833 4.698468 
1 1 1   16   50    4 o   22.089   1.6211  497.762   62.917  508.001   75.120  473.697  115.159   22.649   1.7086   21.530   2.7555 1.118906 3.242216 
1 1 1   16   50    5 o   35.259   1.1657  1241.36   69.890  1252.89   81.481  1209.27  135.950   35.745   1.1743   34.774   2.0140 0.9705772 2.331335 
1 1 1   16   50    6 o   11.300   2.5516  143.283   63.687  169.221   74.856   75.298  121.191   12.499   3.1003   10.102   4.0535 2.397167 5.103227 
1 1 1   16   50    7 o   14.898   2.2544  279.587   62.175  350.903   75.303  126.842  110.206   18.672   2.0776   11.124   4.0015 7.548120 4.508702 
1 1 1   16   50    8 o   11.009   2.5083  139.484   63.581  173.460   73.359   36.912  127.461   12.619   3.0324   9.3983   3.9964 3.220785 5.016633 
1 1 1   16   50    9 o   10.112   2.5700  103.819   61.933  110.144   74.349   89.481  111.944   10.141   3.2970   10.084   3.9433 0.5690193E-01 5.140064 
1 1 1   16   50   10 o   28.028   1.4662  796.952   70.990  795.651   83.403  800.373  135.243   28.278   1.5194   27.779   2.5080 0.4986801 2.932392 
1 1 1   16   50   11 o   30.160   1.3780  915.976   75.522  902.246   91.747  944.828  133.004   30.043   1.5732   30.277   2.2630 -0.2342014 2.756094 
1 1 1   16   51    0 o   16.871   2.3539  321.113   63.524  339.362   72.705  262.235  130.593   18.452   2.0298   15.291   4.2478 3.161104 4.707825 
1 1 1   16   51    1 o   15.861   2.3929  283.903   63.055  300.391   72.440  232.353  128.089   17.322   2.1543   14.400   4.2735 2.921779 4.785784 
1 1 1   16   51    2 o   16.858   2.0999  291.801   60.279  284.492   70.983  310.703  114.153   16.842   2.1711   16.874   3.5950 -0.3199768E-01 4.199758 
1 1 1   16   51    3 o   20.878   1.6832  404.408   61.626  360.946   71.502  529.955  121.524   19.021   1.9365   22.735   2.7536 -3.714090 3.366343 
1 1 1   16   51    4 o   14.561   2.3976  254.708   61.658  284.303   70.902  162.884  124.887   16.806   2.1733   12.316   4.2745 4.490609 4.795294 
1 1 1   16   51    5 o   7.7087   2.3874  -6.8831   63.783 -21.8546   77.334   24.969  112.799   6.5971   2.9492   8.8204   3.7552 -2.223324 4.774878 
1 1 1   16   51    6 o   18.162   2.1871  341.560   65.164  331.298   75.200  372.491  130.557   18.115   2.1385   18.208   3.8158 -0.9289360E-01 4.374220 
1 1 1   16   51    7 o   10.542   2.3326  126.109   62.850  187.066   73.487 -39.9353  121.286   13.134   2.9539   7.9501   3.6108 5.184317 4.665114 
1 1 1   16   51    8 o   11.104   2.5603  139.348   62.166  156.641   72.483   91.239  120.897   11.924   3.1020   10.283   4.0742 1.640079 5.120685 
1 1 1   16   51    9 o   13.490   2.6001  216.327   67.758  231.693   80.582  179.242  125.186   14.562   2.9517   12.417   4.2813 2.145480 5.200229 
1 1 1   16   51   10 o   12.360   2.7144  183.458   70.608  198.806   83.595  145.250  131.898   13.245   3.2707   11.475   4.3329 1.770491 5.428746 
1 1 1   16   52    0 o   21.162   1.7550  478.517   62.677  509.029   74.092  401.740  117.531   22.662   1.6842   19.661   3.0795 3.001251 3.509974 
1 1 1   16   52    1 o   8.7186   2.5138   47.846   62.401   60.229   72.271   11.573  123.694   8.4924   3.2071   8.9449   3.8717 -0.4524727 5.027542 
1 1 1   16   52    2 o   18.064   2.0702  286.746   63.893  237.053   72.486  459.840  135.285   15.269   2.4456   20.859   3.3411 -5.590497 4.140488 
1 1 1   16   52    3 o   12.138   2.5708  162.215   62.555  166.520   74.735  152.142  114.329   12.380   3.1130   11.895   4.0920 0.4853363 5.141525 
1 1 1   16   52    4 o   9.2475   2.5006   75.242   61.242   97.124   70.912   11.020  121.482   9.6910   3.2233   8.8041   3.8239 0.8869486 5.001170 
1 1 1   16   52    5 o   12.068   2.6404  162.730   63.189  170.056   72.000  138.174  131.825   12.508   3.0033   11.629   4.3437 0.8789797 5.280854 
1 1 1   16   52    6 o   15.337   2.4583  286.326   65.137  315.060   74.838  196.552  132.283   17.619   2.1882   13.055   4.4029 4.563870 4.916656 
1 1 1   16   52    7 o   9.9840   2.6987   73.684   65.578   45.478   76.004  155.856  129.728   8.0558   3.2180   11.912   4.3332 -3.856443 5.397457 
1 1 1   16   52    8 o   10.508   2.6920  113.323   68.167  104.078   84.301  130.787  115.862   9.9543   3.5083   11.062   4.0840 -1.108093 5.383983 
1 1 1   16   52    9 o   8.9630   2.6580   50.043   73.434   55.123   87.419   37.866  135.346   8.5496   3.4385   9.3763   4.0543 -0.8267050 5.316030 
1 1 1   16   53    0 o   19.684   2.0867  385.035   63.131  368.671   70.712  449.313  140.146   19.204   1.8968   20.164   3.7175 -0.9593811 4.173473 
1 1 1   16   53    1 o   11.713   2.2236  168.876   62.772  236.133   72.321 -36.5526  126.395   15.214   2.4488   8.2125   3.7123 7.001758 4.447222 
1 1 1   16   53    2 o   14.645   2.4249  244.491   65.224  263.799   78.037  199.746  118.798   16.051   2.5045   13.239   4.1531 2.811909 4.849831 
1 1 1   16   53    3 o   21.952   2.0122  536.351   64.988  559.811   73.478  452.073  139.270   23.745   1.5941   20.159   3.6952 3.586317 4.024395 
1 1 1   16   53    4 o   13.228   2.5307  198.965   62.169  205.599   72.275  180.095  121.899   13.852   2.7845   12.605   4.2267 1.247250 5.061429 
1 1 1   16   53    5 o   9.5686   2.5485   86.624   64.620  111.984   76.277   22.149  121.620   10.219   3.3403   8.9185   3.8498 1.300391 5.096910 
1 1 1   16   53    6 o   11.141   2.1793  139.088   69.394  256.962   82.226 -152.6825  129.365   15.431   2.8501   6.8514   3.2977 8.579369 4.358621 
1 1 1   16   53    7 o   16.670   2.2376  284.720   69.139  220.504   85.979  402.232  116.309   14.024   3.2255   19.316   3.1020 -5.291485 4.475105 
1 1 1   16   53    8 o   7.8634   2.4928  -9.6432   71.493 -16.7699   84.620   8.1315  133.638   6.8756   3.0785   8.8513   3.9216 -1.975638 4.985569 
1 1 1   16   54    0 f   12.634   2.5760  154.189   60.006  123.957   69.207  245.749  120.440   10.691   3.1328   14.576   4.0900 -3.884571 5.151951 
1 1 1   16   54    1 o   8.9625   2.5915   53.509   62.542   57.072   70.538   40.413  135.237   8.2784   3.1583   9.6466   4.1095 -1.368162 5.182947 
1 1 1   16   54    2 o   19.662   2.0855  402.650   63.378  396.587   71.661  424.423  135.797   19.889   1.8561   19.435   3.7352 0.4545078 4.170959 
1 1 1   16   54    3 o   18.385   2.1700  403.921   63.392  454.036   74.946  277.920  118.837   21.284   1.8140   15.487   3.9426 5.796114 4.339923 
1 1 1   16   54    4 o   28.526   1.4217  755.348   70.939  676.078   82.202  986.638  140.413   26.036   1.6265   31.016   2.3322 -4.979918 2.843301 
1 1 1   16   54    5 o   23.637   1.6394  579.005   70.182  587.878   85.769  561.027  122.088   24.166   1.8284   23.109   2.7216 1.056509 3.278738 
1 1 1   16   54    6 o   11.005   2.7745  132.669   71.568  134.788   85.626  127.757  130.358   10.937   3.5368   11.072   4.2759 -0.1345406 5.549051 
1 1 1   16   54    7 o   10.208   2.5642  111.341   71.659  167.310   85.329 -22.5913  131.996   12.063   3.4626   8.3526   3.7830 3.710270 5.128395 
1 1 1   16   55    0 o   9.3365   2.6786   53.450   64.305   39.130   72.608  105.542  138.483   7.7794   3.1319   10.894   4.3463 -3.114165 5.357199 
1 1 1   16   55    1 o   7.7816   2.3297   18.632   62.381   58.653   73.373 -85.7399  118.489   8.3631   3.2138   7.2001   3.3736 1.162947 4.659367 
1 1 1   16   55    2 o   17.820   2.2215  336.433   65.176  327.601   75.391  362.563  129.676   17.929   2.1662   17.711   3.8792 0.2184315 4.443032 
1 1 1   16   55    3 o   19.889   2.0880  419.001   67.117  413.217   77.406  436.524  134.724   20.199   1.9742   19.579   3.6798 0.6192951 4.175945 
1 1 1   16   55    4 o   37.075   1.1310  1347.76   76.907  1295.05   93.677  1456.73  134.699   36.150   1.3349   38.001   1.8260 -1.850864 2.261942 
1 1 1   16   55    5 o   27.675   1.6547  833.867   78.192  893.303   93.390  694.510  143.001   29.869   1.6107   25.482   2.8909 4.386328 3.309360 
1 1 1   16   56    0 o   16.203   2.2871  281.323   64.863  269.616   77.119  309.629  119.915   16.123   2.4641   16.283   3.8538 -0.1601734 4.574192 
1 1 1   16   56    1 o   15.618   2.5312  295.413   68.845  316.433   79.472  232.206  137.810   17.507   2.3385   13.729   4.4900 3.778025 5.062466 
1 1 1   16   56    2 o   15.396   2.3119  320.076   64.440  392.089   75.964  135.259  121.696   19.636   1.9929   11.155   4.1722 8.480925 4.623722 
1 1 1   16   56    3 o   13.538   2.4176  237.385   67.355  289.705   79.101   99.405  128.455   16.679   2.4431   10.396   4.1727 6.283076 4.835291 
1 1 1   16   57    0 o   15.386   2.8720  272.540   86.215  212.719  109.987  367.871  138.847   13.333   3.9608   17.438   4.1599 -4.105069 5.743918 
1 1 1   17    0    0 o   9.3047   2.3113  106.455   54.542 -13.0801   80.730  206.837   73.980   5.0346   3.3018   13.575   3.2353 -0.000000 0.000000 
1 1 1   17    0    1 o   41.067   0.9003  1641.59   71.574  1567.99  100.233  1718.17  102.240   40.124   1.2899   42.011   1.2562 -0.000000 0.000000 
1 1 1   17    0    2 o   20.500   1.5517  425.033   59.091  362.375   83.819  486.944   83.317   18.871   2.3930   22.128   1.9759 -0.000000 0.000000 
1 1 1   17    0    3 o   66.795   3.6179  4343.49  431.937  4190.54  520.805  4680.51  773.097   65.182   4.1548   68.409   5.9240 -0.000000 0.000000 
1 1 1   17    0    4 o  147.114   1.4638 21064.94  414.783 21248.71  555.354 20833.10  623.774  147.856   1.9357  146.372   2.1965 -0.000000 0.000000 
1 1 1   17    0    5 o   17.418   7.0136  270.256  336.906  110.473  392.879  714.251  654.910   12.734   7.9119   22.101   11.583 -0.000000 0.000000 
1 1 1   17    0    6 o   27.757   1.1550  756.988   61.660  733.515   88.535  779.098   85.924   27.325   1.6838   28.190   1.5816 -0.000000 0.000000 
1 1 1   17    0    7 o   60.424   0.9402  3552.63  110.098  3653.30  154.814  3449.61  156.607   61.294   1.3025   59.554   1.3563 -0.000000 0.000000 
1 1 1   17    0    8 o   65.253   0.9459  4145.62  119.478  4243.41  165.187  4038.35  173.019   66.066   1.2892   64.440   1.3846 -0.000000 0.000000 
1 1 1   17    0    9 o   67.281   7.3903  4626.64  935.532  4626.64  935.532   0.0000   0.0000   67.281   7.3903   67.281   7.3903 -0.000000 0.000000 
1 1 1   17    0   10 o   37.571   1.1846  1405.60   84.316  1590.92  114.222  1183.72  124.984   40.391   1.4611   34.751   1.8650 -0.000000 0.000000 
1 1 1   17    0   11 o  137.364   1.7145 18361.49  456.616 17987.90  633.464 18765.54  658.784  135.913   2.4027  138.814   2.4465 -0.000000 0.000000 
1 1 1   17    0   12 o   45.670   1.0934  2042.52   94.366  2076.06  121.532  1991.59  149.749   46.169   1.3587   45.170   1.7134 -0.000000 0.000000 
1 1 1   17    0   13 o   21.841   2.2165  501.533   83.561  528.597  106.637  458.477  134.500   22.913   2.4702   20.769   3.6810 -0.000000 0.000000 
1 1 1   17    0   14 o   97.293   1.3211  9186.37  248.613  8845.75  337.047  9592.88  368.199   95.326   1.8229   99.260   1.9125 -0.000000 0.000000 
1 1 1   17    0   15 o  133.184   1.6896 17296.13  436.470 17394.57  614.680 17196.03  619.878  133.571   2.3724  132.797   2.4064 -0.000000 0.000000 
1 1 1   17    0   16 o   94.292   1.3002  8664.30  237.556  8709.80  329.359  8614.97  342.965   94.559   1.7958   94.026   1.8807 -0.000000 0.000000 
1 1 1   17    0   17 o   51.846   1.1400  2630.70  112.277  2661.04  145.736  2586.38  176.108   52.245   1.4395   51.447   1.7682 -0.000000 0.000000 
1 1 1   17    0   18 o   25.999   1.8319  626.615   85.063  533.000  101.558  846.659  155.704   23.012   2.3282   28.987   2.8290 -0.000000 0.000000 
1 1 1   17    0   19 o   37.510   1.4845  1457.18   99.666  1618.12  124.946  1175.64  165.261   40.656   1.5887   34.363   2.5082 -0.000000 0.000000 
1 1 1   17    0   20 o   61.872   1.1604  3760.78  137.928  3883.76  185.154  3607.43  206.749   63.051   1.5148   60.693   1.7582 -0.000000 0.000000 
1 1 1   17    0   21 o   20.137   2.5201  437.340   79.745  434.518   94.990  444.078  146.766   20.565   2.4743   19.708   4.3910 -0.000000 0.000000 
1 1 1   17    0   22 o   9.0562   3.3552  119.714   88.220  179.642  111.281   18.334  144.737   10.996   4.9082   7.1165   4.5758 -0.000000 0.000000 
1 1 1   17    0   23 o   14.406   3.3777  296.796   86.371  330.142  103.377  219.708  157.182   17.155   3.5117   11.658   5.7708 -0.000000 0.000000 
1 1 1   17    0   24 o   12.276   3.4079  243.080   98.511  323.147  119.479   73.095  174.088   16.225   4.3891   8.3267   5.2146 -0.000000 0.000000 
1 1 1   17    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1    0 o  105.813   0.8921 10875.18  183.199 10916.68  256.898 10832.24  261.322  106.019   1.2483  105.607   1.2747 0.4122925 1.784141 
1 1 1   17    1    1 o   82.150   0.7424  6552.98  118.375  6576.85  168.618  6529.78  166.223   82.297   1.0555   82.003   1.0442 0.2946091 1.484747 
1 1 1   17    1    2 o   63.824   0.6556  3955.07   81.225  3986.06  115.381  3924.62  114.365   64.072   0.9277   63.576   0.9267 0.4957047 1.311237 
1 1 1   17    1    3 o  148.544   1.1065 21441.38  319.050 21372.17  450.882 21510.79  451.528  148.303   1.5662  148.784   1.5634 -0.4805145 2.212944 
1 1 1   17    1    4 o   72.651   0.6980  5125.05   98.412  5138.38  140.869  5112.34  137.542   72.743   0.9976   72.559   0.9765 0.1837921 1.395998 
1 1 1   17    1    5 o  192.550   1.1990 36037.09  448.165 35792.16  632.742 36283.66  634.865  191.893   1.6986  193.207   1.6928 -1.314011 2.398082 
1 1 1   17    1    6 o   57.101   0.6393  3166.76   70.845  3228.58   99.915  3104.25  100.467   57.662   0.8926   56.540   0.9154 1.121872 1.278565 
1 1 1   17    1    7 o   52.986   0.6397  2726.60   65.767  2737.61   91.708  2714.94   94.366   53.096   0.8898   52.875   0.9194 0.2211800 1.279440 
1 1 1   17    1    8 o   77.955   0.7538  5902.51  114.052  5802.87  161.015  6002.84  161.573   77.294   1.0731   78.615   1.0588 -1.321281 1.507514 
1 1 1   17    1    9 o   62.022   0.6834  3735.88   82.283  3745.52  116.806  3726.38  115.929   62.101   0.9689   61.943   0.9641 0.1587029 1.366899 
1 1 1   17    1   10 o  102.381   0.9408 10185.30  186.950 10095.78  262.037 10278.11  266.803  101.923   1.3244  102.838   1.3365 -0.9150238 1.881573 
1 1 1   17    1   11 o   73.100   0.7574  5191.48  107.475  5155.34  152.276  5227.36  151.711   72.846   1.0769   73.354   1.0654 -0.5077896 1.514856 
1 1 1   17    1   12 o   63.573   0.7436  3926.74   91.754  4014.89  130.147  3839.63  129.376   64.283   1.0430   62.863   1.0602 1.419800 1.487216 
1 1 1   17    1   13 o   70.956   0.7831  4891.15  107.838  4821.86  150.505  4964.26  154.589   70.440   1.1007   71.471   1.1142 -1.031410 1.566232 
1 1 1   17    1   14 o   97.784   0.9320  9298.68  176.910  9239.79  250.366  9357.41  250.011   97.474   1.3232   98.094   1.3130 -0.6199646 1.864049 
1 1 1   17    1   15 o   39.542   0.9046  1521.08   69.414  1483.89   98.299  1558.07   98.034   39.059   1.2965   40.025   1.2618 -0.9666138 1.809108 
1 1 1   17    1   16 o   37.300   0.9640  1354.21   69.775  1349.23   97.353  1359.46  100.057   37.231   1.3470   37.369   1.3793 -0.1382828 1.927965 
1 1 1   17    1   17 o   18.681   1.6359  346.299   58.645  382.654   80.192  304.503   85.984   19.766   2.0900   17.596   2.5173 2.169436 3.271865 
1 1 1   17    1   18 o   65.998   0.7928  4240.69  101.561  4321.23  144.649  4162.38  142.630   66.617   1.1186   65.380   1.1238 1.236900 1.585628 
1 1 1   17    1   19 o   69.337   0.8171  4686.90  109.943  4653.97  157.017  4718.58  153.993   69.094   1.1707   69.580   1.1401 -0.4858704 1.634139 
1 1 1   17    1   20 o   21.810   1.4116  468.439   59.177  462.287   78.185  476.691   90.547   21.667   1.8589   21.954   2.1247 -0.2866879 2.823126 
1 1 1   17    1   21 o   22.617   1.4302  513.507   62.012  435.925   89.553  584.980   85.954   20.909   2.2064   24.325   1.8203 -3.415913 2.860394 
1 1 1   17    1   22 o   12.253   2.3476  159.118   57.207  136.395   76.810  187.424   85.728   11.321   3.2955   13.186   3.3443 -1.864589 4.695199 
1 1 1   17    1   23 o   9.5856   2.4906   84.516   61.427   63.384   87.846  104.736   85.928   8.9894   3.4993   10.182   3.5450 -1.192342 4.981188 
1 1 1   17    1   24 o   14.526   2.3609  238.138   64.710  258.871   84.497  208.732  100.630   15.509   2.9137   13.544   3.7156 1.965008 4.721772 
1 1 1   17    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2    0 o   28.798   0.7609  805.574   42.492  759.976   59.824  852.003   60.366   27.975   1.1016   29.621   1.0499 -1.646097 1.521779 
1 1 1   17    2    1 o  112.614   0.9126 12317.93  199.502 12379.77  282.132 12256.09  282.144  112.897   1.2874  112.331   1.2939 0.5657654 1.825253 
1 1 1   17    2    2 o   73.141   0.6818  5191.50   96.757  5100.91  134.389  5289.00  139.419   72.480   0.9552   73.803   0.9732 -1.323639 1.363596 
1 1 1   17    2    3 o  105.767   0.8620 10867.42  176.835 10918.06  245.557 10812.86  254.869  106.024   1.1931  105.509   1.2444 0.5152283 1.723965 
1 1 1   17    2    4 o   60.755   0.6398  3583.92   75.455  3600.74  107.247  3567.43  106.181   60.896   0.9073   60.614   0.9024 0.2822418 1.279639 
1 1 1   17    2    5 o   40.638   0.6665  1602.76   52.545  1580.95   72.813  1626.45   75.902   40.350   0.9296   40.926   0.9554 -0.5760536 1.333022 
1 1 1   17    2    6 o   73.593   0.6980  5259.60   99.721  5262.44  141.030  5256.77  141.023   73.613   0.9869   73.573   0.9874 0.3975677E-01 1.396099 
1 1 1   17    2    7 o   20.805   1.0772  425.408   42.917  457.272   57.599  385.638   64.349   21.693   1.3678   19.916   1.6644 1.776951 2.154374 
1 1 1   17    2    8 o   62.099   0.6686  3745.19   80.488  3748.68  111.026  3741.33  116.853   62.131   0.9206   62.068   0.9699 0.6277466E-01 1.337184 
1 1 1   17    2    9 o   93.656   0.8712  8521.57  158.384  8460.90  222.490  8583.90  225.518   93.319   1.2282   93.994   1.2360 -0.6752548 1.742472 
1 1 1   17    2   10 o   70.234   0.7462  4791.52  101.691  4788.67  141.709  4794.55  146.014   70.213   1.0397   70.254   1.0707 -0.4138184E-01 1.492428 
1 1 1   17    2   11 f   78.637   0.7812  6006.44  119.241  6127.60  170.047  5889.23  167.253   79.417   1.1030   77.856   1.1067 1.560257 1.562495 
1 1 1   17    2   12 o   53.054   0.8570  2711.08   85.609  2835.09  140.605  2638.02  107.919   54.001   1.3413   52.106   1.0669 1.894485 1.713924 
1 1 1   17    2   13 o   53.154   0.7608  2744.18   78.458  2877.29  112.198  2616.81  109.755   54.415   1.0622   51.892   1.0896 2.523136 1.521651 
1 1 1   17    2   14 o   94.933   0.9053  8761.04  166.815  8589.67  233.848  8938.60  238.032   93.988   1.2817   95.879   1.2789 -1.890411 1.810661 
1 1 1   17    2   15 o   73.882   0.7994  5305.90  114.639  5215.08  161.129  5399.00  163.139   73.242   1.1333   74.523   1.1277 -1.280907 1.598804 
1 1 1   17    2   16 f  142.001   1.2631 19669.90  348.162 19740.20  494.057 19600.55  490.710  142.251   1.7892  141.750   1.7834 0.5016937 2.526171 
1 1 1   17    2   17 o   9.7022   2.2956   75.609   57.196  146.009   78.703  -3.1888   83.265   11.943   3.2898   7.4610   3.2026 4.482401 4.591278 
1 1 1   17    2   18 o   18.792   1.7132  347.946   62.490  345.404   87.722  350.566   89.041   18.723   2.4136   18.860   2.4321 -0.1372395 3.426418 
1 1 1   17    2   19 o   34.645   0.9848  1172.12   66.221  1181.07   94.378  1163.45   92.941   34.774   1.3981   34.515   1.3872 0.2586823 1.969531 
1 1 1   17    2   20 o   76.066   0.8335  5649.00  123.074  5599.46  173.926  5698.69  174.180   75.730   1.1831   76.402   1.1744 -0.6713562 1.667055 
1 1 1   17    2   21 o   43.172   0.8895  1825.71   74.474  1922.82  105.691  1729.95  104.958   44.321   1.2285   42.022   1.2867 2.298843 1.778953 
1 1 1   17    2   22 o   21.059   1.4557  441.523   59.316  491.920   85.611  394.993   82.261   22.233   1.9836   19.885   2.1311 2.348232 2.911405 
1 1 1   17    2   23 o   11.675   2.5214  148.192   62.357  138.755   85.616  158.853   91.003   11.323   3.5214   12.028   3.6096 -0.7041864 5.042728 
1 1 1   17    2   24 o   46.248   0.9234  2109.56   82.685  2119.77  121.518  2100.75  112.834   46.326   1.3513   46.170   1.2590 0.1553192 1.846886 
1 1 1   17    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3    0 o  111.117   0.9030 11992.64  194.761 12078.40  274.954 11906.28  275.914  111.516   1.2702  110.718   1.2838 0.7982178 1.805937 
1 1 1   17    3    1 o   43.454   0.6185  1832.45   52.162  1782.04   72.899  1885.34   74.668   42.842   0.8766   44.066   0.8729 -1.224319 1.237066 
1 1 1   17    3    2 o   98.315   0.8103  9377.41  154.469  9195.64  212.598  9580.68  224.819   97.308   1.1255   99.322   1.1661 -2.014198 1.620636 
1 1 1   17    3    3 o  101.352   0.8338  9976.14  163.913  9959.38  227.121  9994.37  236.798  101.265   1.1554  101.440   1.2026 -0.1750031 1.667663 
1 1 1   17    3    4 o   61.042   0.7783  3601.41   87.374  3672.31  150.560  3565.40  107.288   61.487   1.2614   60.597   0.9121 0.8903198 1.556629 
1 1 1   17    3    5 o  148.311   1.1184 21377.15  321.979 21444.54  453.998 21308.95  456.709  148.547   1.5744  148.075   1.5889 0.4720764 2.236826 
1 1 1   17    3    6 o   53.819   0.6376  2811.92   66.589  2787.10   92.698  2838.38   95.716   53.574   0.8913   54.064   0.9120 -0.4900398 1.275259 
1 1 1   17    3    7 o   22.688   1.0178  497.687   44.697  450.561   60.942  552.551   65.755   21.532   1.4581   23.845   1.4206 -2.313549 2.035678 
1 1 1   17    3    8 o   82.135   0.7440  6552.62  118.618  6642.15  167.821  6463.23  167.681   82.696   1.0454   81.574   1.0589 1.122124 1.488038 
1 1 1   17    3    9 o   58.494   0.6891  3323.37   78.223  3335.74  109.494  3310.47  111.788   58.606   0.9625   58.383   0.9864 0.2233276 1.378150 
1 1 1   17    3   10 o  131.827   1.1646 16900.72  298.017 16871.19  419.569 16930.79  423.378  131.712   1.6410  131.942   1.6530 -0.2304840 2.329259 
1 1 1   17    3   11 o  114.911   1.0355 12837.56  230.977 13007.36  328.491 12671.52  324.842  115.663   1.4631  114.160   1.4659 1.503288 2.071066 
1 1 1   17    3   12 o  111.174   1.0161 12017.37  219.262 11883.12  307.548 12156.13  312.681  110.543   1.4332  111.804   1.4407 -1.261490 2.032197 
1 1 1   17    3   13 o   86.759   0.8520  7314.21  143.469  7462.57  205.326  7172.68  200.550   87.618   1.2072   85.900   1.2027 1.718208 1.704083 
1 1 1   17    3   14 o   70.590   0.7784  4842.67  106.661  4809.98  149.989  4876.11  151.708   70.350   1.0983   70.831   1.1034 -0.4815140 1.556839 
1 1 1   17    3   15 o   39.167   0.9692  1453.74   70.472  1367.50   86.575  1623.10  121.323   37.502   1.1893   40.832   1.5306 -3.330505 1.938348 
1 1 1   17    3   16 o   55.939   0.7962  3042.39   86.439  2947.58  121.180  3140.59  123.335   55.051   1.1340   56.827   1.1181 -1.775429 1.592470 
1 1 1   17    3   17 o   51.875   0.7790  2612.27   78.226  2698.04  115.790  2540.25  106.101   52.653   1.1329   51.097   1.0697 1.555363 1.558099 
1 1 1   17    3   18 o   48.798   0.8179  2320.49   77.431  2393.38  109.041  2246.34  109.973   49.574   1.1331   48.021   1.1797 1.553631 1.635760 
1 1 1   17    3   19 o   40.651   0.8636  1612.34   67.934  1620.87   92.637  1602.41   99.923   40.775   1.1704   40.526   1.2702 0.2488899 1.727178 
1 1 1   17    3   20 o   45.637   0.8301  2033.87   73.446  2024.02  106.470  2042.81  101.449   45.524   1.2048   45.749   1.1423 -0.2250977 1.660277 
1 1 1   17    3   21 o   40.614   0.8926  1612.76   70.282  1564.00   96.472  1667.90  102.597   39.967   1.2435   41.262   1.2809 -1.295300 1.785211 
1 1 1   17    3   22 o   7.0611   2.2163 -21.6854   60.927 -39.7943   86.528  -3.8782   85.804   6.7381   3.0563   7.3842   3.2104 -0.6460018 4.432573 
1 1 1   17    3   23 o   22.509   1.4643  525.568   61.563  648.728   84.301  384.828   90.117   25.554   1.6995   19.465   2.3850 6.088465 2.928535 
1 1 1   17    3   24 o   25.872   1.3833  673.996   69.448  694.792   98.229  653.213   98.199   26.286   1.9251   25.458   1.9870 0.8276024 2.766639 
1 1 1   17    3   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4    0 o   82.444   0.7370  6600.15  117.954  6615.87  166.755  6584.42  166.870   82.542   1.0407   82.345   1.0439 0.1965179 1.474084 
1 1 1   17    4    1 o   64.199   0.6336  4001.14   78.912  3985.54  109.570  4017.96  113.744   64.070   0.8810   64.329   0.9109 -0.2592926 1.267223 
1 1 1   17    4    2 o  129.814   0.9897 16377.54  249.033 16497.13  343.616 16245.24  361.430  130.317   1.3583  129.311   1.4399 1.005524 1.979470 
1 1 1   17    4    3 o   80.841   0.7318  6346.64  114.796  6354.47  160.405  6338.41  164.360   80.893   1.0215   80.790   1.0480 0.1033783 1.463507 
1 1 1   17    4    4 o  101.580   0.8715 10024.67  171.798 10161.29  241.468  9884.63  244.477  102.282   1.2162  100.878   1.2485 1.403999 1.742910 
1 1 1   17    4    5 o   86.295   0.7742  7232.23  129.686  7205.38  183.156  7259.22  183.651   86.134   1.0954   86.455   1.0943 -0.3212585 1.548370 
1 1 1   17    4    6 o  118.525   0.9325 13650.04  214.435 13679.05  298.597 13619.15  308.143  118.657   1.2964  118.393   1.3408 0.2642441 1.865018 
1 1 1   17    4    7 o   25.521   0.9004  632.938   44.181  633.985   58.596  631.559   67.258   25.547   1.1816   25.494   1.3590 0.5244446E-01 1.800877 
1 1 1   17    4    8 o   46.147   0.6970  2061.76   62.214  1997.38   83.933  2140.27   92.684   45.351   0.9534   46.943   1.0171 -1.592327 1.394099 
1 1 1   17    4    9 o   76.601   0.7553  5694.46  112.188  5594.58  154.603  5805.54  163.049   75.893   1.0494   77.309   1.0865 -1.415604 1.510545 
1 1 1   17    4   10 o   51.524   0.6956  2581.69   69.410  2630.85   95.517  2526.68  101.038   52.046   0.9454   51.002   1.0205 1.043648 1.391162 
1 1 1   17    4   11 o   70.312   0.7562  4804.29  103.180  4888.07  145.120  4718.64  146.732   70.933   1.0539   69.691   1.0846 1.242096 1.512344 
1 1 1   17    4   12 f  118.043   1.0644 13552.37  243.893 13673.75  346.217 13432.80  343.630  118.568   1.5042  117.519   1.5063 1.049652 2.128789 
1 1 1   17    4   13 o   63.198   0.7496  3880.86   91.954  3910.50  130.868  3851.96  129.232   63.436   1.0628   62.960   1.0574 0.4762306 1.499180 
1 1 1   17    4   14 o   63.985   0.7687  3979.05   95.466  3974.47  136.095  3983.49  133.949   63.948   1.0963   64.022   1.0778 -0.7397079E-01 1.537411 
1 1 1   17    4   15 o   54.570   0.7946  2893.03   84.125  2948.28  121.541  2842.23  116.555   55.069   1.1370   54.071   1.1105 0.9974174 1.589286 
1 1 1   17    4   16 o   81.642   0.8477  6484.65  134.350  6465.25  190.203  6503.97  189.796   81.520   1.2020   81.765   1.1958 -0.2447586 1.695474 
1 1 1   17    4   17 o   23.673   1.3139  544.256   60.176  604.562   89.303  494.100   81.442   24.867   1.8500   22.480   1.8664 2.387751 2.627900 
1 1 1   17    4   18 o   27.752   1.0755  752.619   57.819  744.145   84.291  760.148   79.458   27.599   1.5734   27.906   1.4668 -0.3070946 2.151052 
1 1 1   17    4   19 o   34.088   1.0112  1135.39   66.910  1135.18   94.514  1135.60   94.736   34.086   1.4284   34.091   1.4315 -0.5775452E-02 2.022313 
1 1 1   17    4   20 o   36.567   0.9675  1311.34   68.476  1356.15   94.334  1261.42   99.557   37.242   1.3049   35.891   1.4289 1.350479 1.935098 
1 1 1   17    4   21 o   28.228   1.1446  785.166   62.692  779.167   89.698  790.895   87.658   28.116   1.6435   28.340   1.5934 -0.2238235 2.289121 
1 1 1   17    4   22 f   8.4121   2.1503  -1.6489   60.920  143.471   83.375 -167.8740   89.232   11.590   3.4497   5.2344   2.5679 6.355483 4.300572 
1 1 1   17    4   23 o   9.3230   2.4660   74.922   61.788   37.934   90.504  107.211   84.560   8.4102   3.4552   10.236   3.5193 -1.825689 4.931911 
1 1 1   17    4   24 o   30.089   1.2118  900.857   70.628  857.016   96.151  952.234  104.088   29.308   1.6900   30.870   1.7370 -1.561646 2.423499 
1 1 1   17    4   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5    0 o   98.386   0.8308  9397.36  158.610  9284.77  220.818  9517.36  227.969   97.778   1.1634   98.994   1.1863 -1.215965 1.661581 
1 1 1   17    5    1 o  116.646   0.9224 13208.58  208.510 13088.71  286.155 13344.27  304.449  116.085   1.2699  117.208   1.3381 -1.123138 1.844759 
1 1 1   17    5    2 o   62.217   0.7795  3793.04   89.520  3871.67  111.230  3648.48  150.827   63.146   0.9074   61.288   1.2678 1.858376 1.559053 
1 1 1   17    5    3 o  140.771   1.0376 19257.45  282.772 19303.55  386.175 19204.16  415.202  140.958   1.4113  140.583   1.5215 0.3744659 2.075259 
1 1 1   17    5    4 o  164.885   1.1793 26473.91  373.030 26761.77  492.705 26087.29  570.999  165.955   1.5294  163.815   1.7956 2.140152 2.358698 
1 1 1   17    5    5 o   21.443   1.2626  450.578   49.921  458.706   61.919  435.484   84.381   21.727   1.4681   21.158   2.0545 0.5687256 2.525108 
1 1 1   17    5    6 o   95.688   0.8403  8894.32  156.071  8897.48  222.573  8891.26  218.908   95.704   1.1981   95.672   1.1787 0.3211975E-01 1.680696 
1 1 1   17    5    7 o   43.240   0.6754  1816.78   56.649  1848.59   78.983  1783.08   81.294   43.630   0.9326   42.849   0.9774 0.7811928 1.350893 
1 1 1   17    5    8 o  113.035   0.9560 12411.28  209.491 12332.56  288.479 12499.11  304.718  112.659   1.3191  113.411   1.3841 -0.7517700 1.912036 
1 1 1   17    5    9 o  100.824   0.9016  9873.82  176.362  9774.74  244.791  9980.75  254.308  100.299   1.2573  101.348   1.2927 -1.048286 1.803248 
1 1 1   17    5   10 o   65.322   0.7111  4144.80   90.149  4159.43  126.519  4129.72  128.483   65.439   0.9960   65.204   1.0151 0.2350769 1.422111 
1 1 1   17    5   11 o   27.448   1.0231  734.565   54.165  752.151   73.097  713.151   80.662   27.816   1.3537   27.080   1.5345 0.7367172 2.046278 
1 1 1   17    5   12 o   83.153   0.8233  6719.29  132.885  6801.26  188.472  6638.27  187.387   83.658   1.1606   82.649   1.1680 1.009140 1.646557 
1 1 1   17    5   13 o   25.541   1.1190  633.059   55.233  653.547   82.632  616.513   74.260   25.911   1.6428   25.171   1.5198 0.7395229 2.238014 
1 1 1   17    5   14 o   90.839   0.8871  8023.15  156.430  8012.50  220.854  8033.89  221.600   90.778   1.2533   90.899   1.2559 -0.1207733 1.774257 
1 1 1   17    5   15 o   32.507   1.0369  1031.32   65.223  948.091   92.943  1112.08   91.551   31.206   1.5343   33.807   1.3951 -2.600250 2.073703 
1 1 1   17    5   16 o   65.601   0.7919  4185.62  100.846  4202.66  142.656  4168.59  142.579   65.734   1.1180   65.467   1.1219 0.2674942 1.583864 
1 1 1   17    5   17 o   54.917   0.7800  2930.19   83.041  2851.58  113.951  3019.22  121.266   54.135   1.0844   55.699   1.1216 -1.563595 1.560056 
1 1 1   17    5   18 o   60.837   0.7822  3604.31   92.366  3589.48  131.367  3618.80  129.897   60.712   1.1147   60.962   1.0977 -0.2505417 1.564410 
1 1 1   17    5   19 o   9.8701   2.3850   91.261   55.961   60.020   85.541  114.634   73.990   9.0885   3.4754   10.652   3.2672 -1.563260 4.770022 
1 1 1   17    5   20 o   45.598   0.8336  2031.10   73.603  2040.48  100.757  2020.35  107.778   45.721   1.1353   45.474   1.2210 0.2462692 1.667193 
1 1 1   17    5   21 o   28.127   1.1916  781.085   64.997  820.146   91.897  741.985   91.942   28.843   1.6413   27.411   1.7279 1.431749 2.383191 
1 1 1   17    5   22 o   32.000   1.0372  1007.99   64.427  1006.54   91.411  1009.41   90.818   31.976   1.4727   32.025   1.4609 -0.4908752E-01 2.074386 
1 1 1   17    5   23 o   29.371   1.1926  857.779   67.893  909.897   96.005  805.640   96.026   30.285   1.6330   28.456   1.7384 1.828754 2.385111 
1 1 1   17    5   24 o   17.099   2.3483  331.448   73.162  270.777  118.110  369.221   93.194   15.286   3.9515   18.912   2.5386 -3.626033 4.696670 
1 1 1   17    5   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6    0 o   62.521   0.6395  3794.98   77.593  3783.36  108.559  3807.13  110.947   62.423   0.8959   62.618   0.9127 -0.1953659 1.278953 
1 1 1   17    6    1 o  125.688   0.9706 15356.16  236.346 15518.99  325.171 15173.80  344.122  126.398   1.3253  124.977   1.4185 1.420921 1.941227 
1 1 1   17    6    2 o  142.826   1.0451 19836.58  289.018 20065.52  396.083 19575.87  422.678  143.714   1.4198  141.938   1.5341 1.775711 2.090253 
1 1 1   17    6    3 o   76.442   0.7070  5674.24  104.908  5667.97  147.565  5680.64  149.171   76.400   0.9950   76.485   1.0047 -0.8498383E-01 1.414043 
1 1 1   17    6    4 o   76.410   0.7135  5669.84  105.818  5692.79  149.055  5646.52  150.250   76.566   1.0029   76.254   1.0151 0.3123169 1.426908 
1 1 1   17    6    5 o  139.734   1.0436 18971.40  282.449 18936.44  386.533 19011.46  413.741  139.602   1.4264  139.867   1.5239 -0.2652893 2.087273 
1 1 1   17    6    6 o   22.298   1.0394  483.924   44.915  499.629   62.413  467.052   64.688   22.675   1.4180   21.921   1.5202 0.7536869 2.078847 
1 1 1   17    6    7 o  112.414   0.9248 12275.20  201.772 12078.22  282.684 12479.79  288.090  111.495   1.3061  113.333   1.3095 -1.837975 1.849521 
1 1 1   17    6    8 o   86.547   0.8162  7279.74  137.042  7391.14  191.314  7162.35  196.398   87.229   1.1299   85.865   1.1783 1.363792 1.632476 
1 1 1   17    6    9 o   39.173   0.7771  1493.98   58.642  1519.33   78.620  1462.18   88.044   39.550   1.0240   38.795   1.1691 0.7552528 1.554184 
1 1 1   17    6   10 o   73.566   0.7470  5256.97  106.663  5243.52  149.841  5270.79  151.868   73.470   1.0506   73.661   1.0621 -0.1901398 1.493954 
1 1 1   17    6   11 o   79.774   0.7977  6179.44  123.454  6071.26  171.104  6296.90  178.298   79.048   1.1151   80.501   1.1410 -1.453506 1.595387 
1 1 1   17    6   12 f   97.353   0.9118  9212.13  172.299  9130.57  242.298  9295.57  245.061   96.917   1.2879   97.788   1.2910 -0.8714371 1.823556 
1 1 1   17    6   13 o   13.774   2.0802  192.616   53.855  188.034   73.852  197.820   78.705   13.603   2.8861   13.945   2.9967 -0.3420324 4.160486 
1 1 1   17    6   14 o   38.882   0.8985  1471.05   67.765  1521.80   95.326  1419.19   96.351   39.562   1.2413   38.202   1.2993 1.360157 1.796905 
1 1 1   17    6   15 o   27.260   1.1794  723.838   62.393  700.844   87.799  747.298   88.683   26.821   1.6863   27.698   1.6494 -0.8768730 2.358846 
1 1 1   17    6   16 o   60.973   0.7823  3616.02   92.583  3631.29  130.400  3600.50  131.470   61.103   1.0994   60.842   1.1132 0.2611847 1.564531 
1 1 1   17    6   17 o   62.621   0.7856  3816.26   95.496  3803.10  134.940  3829.46  135.165   62.513   1.1120   62.729   1.1100 -0.2165146 1.571199 
1 1 1   17    6   18 o   20.489   1.5610  414.375   61.756  461.547   87.170  366.840   87.504   21.680   2.0713   19.297   2.3360 2.382284 3.122027 
1 1 1   17    6   19 o   33.978   0.9593  1128.47   63.185  1196.23   89.335  1060.65   89.380   35.006   1.3147   32.950   1.3974 2.055767 1.918618 
1 1 1   17    6   20 o   18.241   1.6786  332.196   59.204  316.189   86.247  346.461   81.417   17.800   2.4961   18.682   2.2451 -0.8815689 3.357196 
1 1 1   17    6   21 o   40.227   0.9056  1579.09   70.378  1520.45   94.305  1652.80  105.731   39.402   1.2330   41.052   1.3268 -1.650253 1.811217 
1 1 1   17    6   22 o   12.657   2.3562  172.807   58.341  172.763   88.705  172.841   77.449   12.623   3.4987   12.691   3.1569 -0.6731224E-01 4.712437 
1 1 1   17    6   23 o   19.056   1.7105  370.735   63.023  385.469   86.621  354.162   91.865   19.506   2.2876   18.605   2.5436 0.9008789 3.420985 
1 1 1   17    6   24 o   21.588   1.7759  500.314   69.986  407.639  113.248  557.576   89.019   19.648   2.9692   23.527   1.9492 -3.878338 3.551836 
1 1 1   17    6   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7    0 o  111.415   0.8948 12051.02  193.216 11956.41  265.426 12157.66  281.807  110.952   1.2324  111.878   1.2976 -0.9257889 1.789558 
1 1 1   17    7    1 o  188.889   1.3048 34663.59  478.147 34116.27  662.915 35257.11  690.321  187.339   1.8229  190.439   1.8674 -3.099350 2.609607 
1 1 1   17    7    2 o   83.145   0.7342  6708.60  118.354  6624.15  162.854  6803.12  172.301   82.592   1.0158   83.699   1.0605 -1.106438 1.468471 
1 1 1   17    7    3 f  139.283   1.0352 18846.60  279.392 18807.95  383.602 18890.26  407.742  139.136   1.4203  139.431   1.5065 -0.2954865 2.070429 
1 1 1   17    7    4 o   99.504   0.8445  9615.18  163.083  9543.38  228.106  9690.26  233.249   99.124   1.1855   99.883   1.2030 -0.7588577 1.688942 
1 1 1   17    7    5 o  114.048   0.9291 12637.22  205.686 12712.57  290.052 12561.00  291.724  114.391   1.3062  113.705   1.3217 0.6853027 1.858247 
1 1 1   17    7    6 o  165.727   1.2354 26715.15  396.516 26826.85  543.250 26587.79  580.076  166.109   1.6848  165.346   1.8073 0.7632446 2.470775 
1 1 1   17    7    7 o  125.257   0.9465 15236.30  230.067 14911.35  320.459 15581.93  330.501  123.880   1.3326  126.634   1.3445 -2.753654 1.893021 
1 1 1   17    7    8 o  121.435   1.0217 14329.50  240.791 14205.52  336.516 14459.58  344.692  120.898   1.4339  121.972   1.4558 -1.073807 2.043399 
1 1 1   17    7    9 o  126.444   1.0926 15545.88  267.732 15580.00  368.520 15507.73  389.621  126.597   1.4996  126.290   1.5893 0.3062515 2.185100 
1 1 1   17    7   10 o   93.073   0.8744  8417.54  157.970  8406.70  222.488  8428.56  224.331   93.013   1.2322   93.133   1.2409 -0.1201096 1.748758 
1 1 1   17    7   11 o   74.267   0.7710  5357.69  111.089  5322.12  154.272  5396.01  160.097   74.012   1.0738   74.522   1.1067 -0.5095901 1.542024 
1 1 1   17    7   12 o   16.398   1.6206  262.393   51.558  255.352   73.433  269.239   72.407   16.179   2.3381   16.617   2.2447 -0.4373932 3.241250 
1 1 1   17    7   13 o   81.586   0.8241  6470.58  130.501  6488.83  183.364  6451.84  185.773   81.703   1.1561   81.468   1.1747 0.2351837 1.648204 
1 1 1   17    7   14 o   90.884   0.8828  8030.30  155.737  7955.66  218.525  8107.34  222.008   90.455   1.2445   91.312   1.2525 -0.8572159 1.765660 
1 1 1   17    7   15 o   28.838   1.0739  809.336   60.015  803.867   82.404  815.514   87.581   28.737   1.4772   28.940   1.5590 -0.2026463 2.147713 
1 1 1   17    7   16 o   60.491   0.7710  3558.95   90.527  3564.14  128.594  3553.84  127.463   60.535   1.0943   60.448   1.0863 0.8658218E-01 1.541933 
1 1 1   17    7   17 o   97.197   0.9361  9202.58  176.592  9310.62  252.718  9099.49  246.862   97.752   1.3318   96.641   1.3159 1.110176 1.872263 
1 1 1   17    7   18 o   29.196   1.1163  833.198   63.169  834.343   86.991  831.920   91.877   29.223   1.5335   29.170   1.6226 0.5387306E-01 2.232577 
1 1 1   17    7   19 o   37.153   0.9373  1346.49   67.559  1312.16   93.627  1383.77   97.582   36.661   1.3156   37.645   1.3354 -0.9837646 1.874594 
1 1 1   17    7   20 o   16.341   1.9176  270.622   59.314  304.567   86.449  240.427   81.534   17.453   2.5517   15.228   2.8633 2.224702 3.835262 
1 1 1   17    7   21 o   15.479   2.0713  260.020   59.623  366.015   83.378  149.094   85.296   19.131   2.2452   11.828   3.4814 7.302995 4.142552 
1 1 1   17    7   22 o   21.722   1.5004  470.654   62.555  382.153   85.846  570.850   91.341   19.504   2.2674   23.939   1.9656 -4.434656 3.000762 
1 1 1   17    7   23 o   9.6552   2.4884   86.807   60.152  106.218   91.889   72.252   79.570   10.291   3.6589   9.0189   3.3736 1.272480 4.976817 
1 1 1   17    7   24 o   10.310   2.6914  102.219   71.583  139.001  106.796   72.213   96.459   11.302   3.9511   9.3175   3.6557 1.984091 5.382898 
1 1 1   17    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8    0 o  209.947   1.2954 42894.38  524.945 43311.67  707.631 42383.70  782.818  211.101   1.7268  208.792   1.9314 2.309189 2.590834 
1 1 1   17    8    1 o   52.552   0.5982  2681.51   61.019  2692.01   85.700  2670.71   86.902   52.656   0.8384   52.447   0.8536 0.2090645 1.196473 
1 1 1   17    8    2 o  104.766   0.8617 10666.11  175.106 10813.88  243.855 10508.81  251.601  105.517   1.1905  104.015   1.2461 1.502495 1.723413 
1 1 1   17    8    3 o  194.212   1.2566 36667.99  471.294 36689.85  635.133 36641.20  703.052  194.292   1.6840  194.132   1.8656 0.1594391 2.513255 
1 1 1   17    8    4 o   40.003   0.6587  1551.51   51.067  1514.87   69.939  1593.35   74.738   39.498   0.9122   40.508   0.9505 -1.009563 1.317369 
1 1 1   17    8    5 o   42.096   0.6585  1719.64   53.738  1599.05   74.977  1847.03   77.059   40.579   0.9518   43.613   0.9102 -3.034130 1.317003 
1 1 1   17    8    6 o   75.418   0.7348  5523.90  107.574  5485.57  151.292  5563.10  152.988   75.154   1.0370   75.683   1.0413 -0.5289841 1.469649 
1 1 1   17    8    7 o  129.315   1.0485 16265.05  262.712 16470.71  362.017 16036.26  381.836  130.185   1.4325  128.445   1.5314 1.740189 2.097002 
1 1 1   17    8    8 o   63.884   0.6933  3963.93   85.956  3974.42  120.264  3952.97  122.898   63.971   0.9685   63.797   0.9924 0.1738625 1.386631 
1 1 1   17    8    9 f   45.425   0.7102  2007.99   62.413  2055.55   85.426  1953.53   91.410   46.005   0.9566   44.846   1.0500 1.159184 1.420426 
1 1 1   17    8   10 o   70.219   0.7452  4789.13  101.507  5023.96  144.641  4561.23  142.488   71.916   1.0361   68.522   1.0712 3.393852 1.490313 
1 1 1   17    8   11 o   25.260   1.0447  618.923   51.157  660.606   74.473  581.683   70.393   26.063   1.4720   24.456   1.4828 1.606741 2.089334 
1 1 1   17    8   12 o  103.587   0.9546 10430.78  191.926 10620.29  273.136 10245.95  269.744  104.517   1.3463  102.657   1.3536 1.859474 1.909109 
1 1 1   17    8   13 o   81.077   0.8199  6388.11  129.002  6328.13  179.763  6451.80  185.232   80.686   1.1477   81.468   1.1713 -0.7820816 1.639877 
1 1 1   17    8   14 o   58.861   0.7468  3367.89   85.311  3417.64  119.931  3316.94  121.377   59.302   1.0418   58.420   1.0703 0.8823166 1.493650 
1 1 1   17    8   15 o   68.047   0.7714  4502.28  101.870  4468.89  145.536  4534.35  142.639   67.799   1.1058   68.296   1.0759 -0.4977341 1.542860 
1 1 1   17    8   16 o   35.749   0.9459  1243.54   65.604  1270.78   94.658  1218.36   91.006   36.125   1.3499   35.374   1.3253 0.7508507 1.891736 
1 1 1   17    8   17 o   21.449   1.3903  450.662   57.682  447.105   85.021  453.696   78.515   21.362   2.0503   21.535   1.8782 -0.1731243 2.780535 
1 1 1   17    8   18 o   27.769   1.1051  753.768   59.405  755.399   81.096  751.878   87.264   27.808   1.5023   27.729   1.6212 0.7948303E-01 2.210263 
1 1 1   17    8   19 o   7.5498   2.2743   0.2869   59.224 -24.6447   82.925   26.243   84.612   6.9528   3.0844   8.1468   3.3432 -1.193991 4.548648 
1 1 1   17    8   20 o   29.595   1.1135  860.938   63.712  869.889   86.567  850.359   94.108   29.779   1.4975   29.410   1.6484 0.3690014 2.227082 
1 1 1   17    8   21 o   21.177   1.4919  446.548   61.276  473.021   88.327  421.986   85.080   21.787   2.0885   20.567   2.1310 1.219868 2.983754 
1 1 1   17    8   22 o   10.495   2.4786  111.756   60.551  141.323   83.827   79.498   87.559   11.486   3.4682   9.5043   3.5420 1.982180 4.957253 
1 1 1   17    8   23 o   10.534   2.5386  101.710   66.312  182.002   98.877   36.078   89.396   12.757   3.7464   8.3121   3.4266 4.444789 5.077156 
1 1 1   17    8   24 o   22.228   2.3312  560.820   92.018  655.319  120.139  426.702  143.124   25.217   2.4543   19.240   3.9641 5.977356 4.662367 
1 1 1   17    9    0 o   67.964   0.6669  4483.78   87.928  4721.22  125.512  4254.95  123.217   69.730   0.9272   66.197   0.9589 3.533752 1.333891 
1 1 1   17    9    1 o   63.080   0.6334  3863.08   77.548  3803.30  109.034  3924.27  110.317   62.586   0.8975   63.574   0.8939 -0.9875832 1.266707 
1 1 1   17    9    2 o   69.564   0.6759  4700.46   91.219  4747.00  127.185  4651.16  130.902   69.920   0.9371   69.209   0.9744 0.7106247 1.351841 
1 1 1   17    9    3 o   70.551   0.6864  4833.62   93.990  4946.32  133.140  4721.65  132.704   71.372   0.9610   69.731   0.9804 1.640396 1.372822 
1 1 1   17    9    4 o   55.271   0.6317  2966.45   67.716  2970.59   93.895  2961.95   97.752   55.312   0.8745   55.230   0.9118 0.8147430E-01 1.263357 
1 1 1   17    9    5 o  106.812   0.8685 11074.15  179.837 10913.85  247.314 11254.02  261.975  105.995   1.2020  107.630   1.2539 -1.635124 1.736957 
1 1 1   17    9    6 o  114.844   0.9645 12799.60  214.585 12575.71  293.094 13058.27  315.032  113.767   1.3272  115.922   1.4000 -2.155182 1.929078 
1 1 1   17    9    7 o   81.786   0.7700  6496.83  122.229  6483.52  171.163  6510.67  174.605   81.701   1.0792   81.871   1.0987 -0.1697845 1.540064 
1 1 1   17    9    8 o   55.089   0.6679  2948.55   71.377  2990.28   99.665  2904.60  102.269   55.490   0.9253   54.688   0.9634 0.8020935 1.335725 
1 1 1   17    9    9 o  142.721   1.2072 19829.80  333.895 20159.37  461.296 19467.13  483.913  143.977   1.6505  141.464   1.7622 2.513016 2.414451 
1 1 1   17    9   10 o   68.792   0.7303  4594.32   97.431  4537.15  134.562  4657.32  141.259   68.344   1.0143   69.241   1.0510 -0.8970795 1.460585 
1 1 1   17    9   11 o   52.467   0.7139  2673.84   72.636  2514.15  101.794  2839.50  103.678   50.870   1.0308   54.064   0.9879 -3.193573 1.427790 
1 1 1   17    9   12 o   95.503   0.9033  8866.56  167.453  8955.72  236.621  8777.10  237.007   95.985   1.2700   95.021   1.2849 0.9637451 1.806597 
1 1 1   17    9   13 o   29.333   1.0263  839.873   58.245  893.481   81.041  782.596   83.768   30.308   1.3775   28.359   1.5217 1.949667 2.052553 
1 1 1   17    9   14 f   71.437   0.7710  4958.52  106.876  5022.09  153.523  4898.75  148.874   71.880   1.1003   70.994   1.0803 0.8863449 1.541937 
1 1 1   17    9   15 o   58.749   0.7596  3355.75   86.601  3339.69  123.952  3371.08  121.045   58.610   1.0895   58.888   1.0589 -0.2775002 1.519282 
1 1 1   17    9   16 o   63.861   0.7809  3966.23   96.752  4001.65  139.344  3933.27  134.442   64.134   1.1193   63.588   1.0892 0.5463486 1.561739 
1 1 1   17    9   17 o   49.291   0.7973  2362.53   76.202  2206.25  106.062  2529.27  109.554   47.605   1.1477   50.976   1.1071 -3.371311 1.594686 
1 1 1   17    9   18 o   30.760   1.0379  922.773   61.919  955.794   89.965  893.052   85.351   31.280   1.4816   30.240   1.4540 1.040548 2.075880 
1 1 1   17    9   19 o   11.021   2.4106  123.043   56.970  111.262   80.891  134.638   80.248   10.603   3.4385   11.439   3.3795 -0.8364010 4.821277 
1 1 1   17    9   20 o   39.132   0.9175  1500.35   69.607  1565.77   97.611  1432.67   99.289   40.011   1.2568   38.253   1.3371 1.757595 1.835016 
1 1 1   17    9   21 o   12.070   2.4230  155.820   59.341  149.633   81.451  162.819   86.630   11.832   3.3787   12.309   3.4740 -0.4763613 4.846091 
1 1 1   17    9   22 o   10.172   2.4514  104.611   57.920   93.243   89.082  112.936   76.233   9.9370   3.5944   10.407   3.3343 -0.4695501 4.902783 
1 1 1   17    9   23 o   23.601   1.4514  565.386   65.810  613.238   89.711  509.629   96.837   24.764   1.8662   22.437   2.2233 2.326530 2.902739 
1 1 1   17    9   24 o   22.779   2.3065  603.512   88.632  692.338  110.340  441.956  148.806   26.069   2.1804   19.488   4.0652 6.581774 4.613010 
1 1 1   17   10    0 o   63.337   0.6439  3889.53   79.098  3769.14  109.030  4023.30  114.925   62.304   0.9015   64.370   0.9197 -2.065922 1.287873 
1 1 1   17   10    1 f   61.480   0.6352  3670.43   75.803  3703.15  106.656  3637.03  107.755   61.757   0.8897   61.202   0.9070 0.5542374 1.270500 
1 1 1   17   10    2 o   74.131   0.6880  5336.53   98.974  5345.20  138.271  5327.42  141.735   74.194   0.9601   74.069   0.9858 0.1243591 1.376026 
1 1 1   17   10    3 o  139.239   1.0471 18822.05  282.242 18629.07  384.263 19048.13  415.913  138.470   1.4296  140.008   1.5303 -1.538345 2.094179 
1 1 1   17   10    4 o  121.872   0.9560 14435.37  225.899 14537.67  312.753 14323.78  326.640  122.327   1.3171  121.417   1.3859 0.9094543 1.911902 
1 1 1   17   10    5 o   46.407   0.6585  2091.33   59.323  2088.61   83.649  2094.10   84.146   46.376   0.9292   46.437   0.9335 -0.6080246E-01 1.317089 
1 1 1   17   10    6 o  110.797   0.9134 11946.02  195.983 12242.35  269.970 11615.86  284.962  112.256   1.2389  109.337   1.3426 2.918991 1.826894 
1 1 1   17   10    7 o   36.933   0.7502  1324.47   53.610  1319.66   72.885  1330.13   79.131   36.861   1.0186   37.005   1.1016 -0.1439171 1.500350 
1 1 1   17   10    8 o   7.7280   2.2220   15.933   55.259 -76.4789   98.199   58.756   66.847   6.8869   3.1731   8.5692   3.1115 -1.682266 4.444096 
1 1 1   17   10    9 o   25.769   0.9672  645.338   48.192  723.764   69.196  571.467   67.156   27.290   1.3062   24.247   1.4268 3.043589 1.934415 
1 1 1   17   10   10 o  110.076   0.9954 11779.45  212.691 11800.30  299.364 11758.20  302.238  110.176   1.3997  109.977   1.4157 0.1987534 1.990875 
1 1 1   17   10   11 o  121.639   1.0873 14392.00  256.723 14508.39  364.458 14277.38  361.680  122.127   1.5373  121.151   1.5379 0.9763031 2.174533 
1 1 1   17   10   12 o   41.042   0.8149  1642.46   64.696  1766.74   90.432  1512.18   92.593   42.640   1.0925   39.443   1.2093 3.196552 1.629756 
1 1 1   17   10   13 o   91.588   0.8794  8153.88  156.326  8288.36  223.063  8024.09  219.145   92.330   1.2446   90.846   1.2427 1.483635 1.758760 
1 1 1   17   10   14 o   20.595   1.4286  411.009   56.743  482.931   83.709  349.870   77.180   22.255   1.9377   18.935   2.0998 3.320028 2.857198 
1 1 1   17   10   15 o   28.460   1.1131  788.999   61.446  789.718   85.225  788.219   88.673   28.476   1.5418   28.444   1.6059 0.3117561E-01 2.226250 
1 1 1   17   10   16 o  102.350   0.9669 10204.23  192.096 10182.39  270.694 10226.38  272.647  102.241   1.3639  102.459   1.3708 -0.2187500 1.933766 
1 1 1   17   10   17 o   50.307   0.8203  2466.17   80.039  2538.80  112.132  2390.73  114.283   51.067   1.1312   49.548   1.1882 1.519218 1.640540 
1 1 1   17   10   18 o   47.899   0.8341  2235.97   77.549  2225.99  108.733  2246.30  110.632   47.792   1.1721   48.006   1.1872 -0.2149391 1.668260 
1 1 1   17   10   19 o   22.678   1.2870  504.941   56.630  496.945   78.632  513.556   81.625   22.495   1.8007   22.862   1.8393 -0.3670845 2.574018 
1 1 1   17   10   20 o   31.930   1.0313  1002.59   63.752  932.277   91.051  1070.22   89.293   30.814   1.5222   33.047   1.3920 -2.232147 2.062667 
1 1 1   17   10   21 o   10.674   2.4671  114.967   59.252   91.007   81.040  142.486   86.852   9.7624   3.4399   11.585   3.5375 -1.822402 4.934211 
1 1 1   17   10   22 o   7.7695   2.2807   16.464   58.718   57.995   81.494 -28.3760   84.678   8.7070   3.3757   6.8320   3.0678 1.875086 4.561444 
1 1 1   17   10   23 o   22.541   1.5216  515.934   66.130  543.903   90.215  483.452   97.221   23.266   1.9975   21.816   2.2957 1.449841 3.043111 
1 1 1   17   10   24 o   28.239   1.7609  843.058   92.779  907.640  119.374  744.527  147.449   29.914   2.0557   26.563   2.8595 3.350767 3.521800 
1 1 1   17   11    0 o  208.499   1.3002 42255.90  522.705 42202.23  699.566 42323.74  786.476  208.369   1.7295  208.630   1.9420 -0.2601471 2.600497 
1 1 1   17   11    1 f  113.772   0.9043 12567.20  199.293 12478.89  272.598 12668.60  292.096  113.346   1.2389  114.199   1.3176 -0.8526917 1.808637 
1 1 1   17   11    2 o   87.261   0.7637  7396.51  129.308  7463.10  180.731  7326.67  185.084   87.664   1.0621   86.857   1.0977 0.8066559 1.527407 
1 1 1   17   11    3 o   20.908   1.0760  432.217   42.887  504.443   59.119  351.987   62.308   22.787   1.3365   19.029   1.6868 3.757578 2.152079 
1 1 1   17   11    4 o  110.861   0.8917 11919.76  191.455 11664.47  260.797 12218.15  281.956  109.579   1.2261  112.144   1.2952 -2.564865 1.783483 
1 1 1   17   11    5 o   79.835   0.7422  6193.35  114.889  6258.49  159.098  6122.36  166.083   80.275   1.0210   79.394   1.0776 0.8806992 1.484491 
1 1 1   17   11    6 o  118.649   1.0033 13680.53  231.004 13681.45  322.793 13679.56  330.731  118.655   1.4014  118.643   1.4360 0.1182556E-01 2.006556 
1 1 1   17   11    7 o   89.096   0.8100  7709.80  139.961  7680.11  193.566  7742.33  202.614   88.918   1.1214   89.274   1.1692 -0.3562469 1.620055 
1 1 1   17   11    8 o   44.906   0.7001  1958.47   60.879  1957.19   83.216  1959.94   89.298   44.891   0.9550   44.921   1.0241 -0.2937698E-01 1.400233 
1 1 1   17   11    9 o   69.029   0.7218  4627.55   96.682  4594.14  134.763  4662.97  138.784   68.773   1.0095   69.285   1.0319 -0.5120544 1.443535 
1 1 1   17   11   10 o   63.198   0.8618  3839.08   98.051  3770.53  117.801  3993.68  176.903   62.303   0.9740   64.092   1.4219 -1.788559 1.723516 
1 1 1   17   11   11 o  106.607   0.9742 11050.50  201.595 11135.07  285.238 10966.10  284.958  107.015   1.3731  106.199   1.3823 0.8163223 1.948346 
1 1 1   17   11   12 o  109.250   0.9964 11607.03  211.287 11538.34  295.896 11678.48  301.801  108.922   1.3995  109.579   1.4188 -0.6563721 1.992869 
1 1 1   17   11   13 o   83.738   0.8316  6816.24  135.178  6785.09  190.779  6847.66  191.565   83.546   1.1764   83.930   1.1758 -0.3844070 1.663223 
1 1 1   17   11   14 o   88.866   0.8716  7679.60  150.360  7724.51  212.650  7634.71  212.632   89.127   1.2291   88.606   1.2362 0.5205688 1.743275 
1 1 1   17   11   15 o   46.286   0.8076  2083.38   72.402  2081.61   99.150  2085.40  105.975   46.268   1.1039   46.304   1.1790 -0.3619003E-01 1.615161 
1 1 1   17   11   16 o   47.356   0.8383  2185.09   76.977  2277.43  108.127  2090.20  109.612   48.375   1.1515   46.337   1.2186 2.038502 1.676557 
1 1 1   17   11   17 o   60.611   0.7910  3578.39   92.956  3617.75  128.731  3535.50  134.370   60.964   1.0878   60.257   1.1488 0.7069778 1.582057 
1 1 1   17   11   18 f   11.025   2.2839  102.710   58.679   17.703   77.792  214.924   89.378   7.6754   3.1831   14.374   3.2761 -6.698707 4.567847 
1 1 1   17   11   19 o   36.990   0.9516  1335.64   68.246  1309.10   93.822  1365.47   99.454   36.605   1.3204   37.375   1.3708 -0.7702217 1.903278 
1 1 1   17   11   20 f   9.0621   2.3515   67.408   55.113   40.409   76.509   96.530   79.459   8.1452   3.2366   9.9789   3.4121 -1.833671 4.703022 
1 1 1   17   11   21 o   18.857   1.6474  356.725   60.230  334.117   84.406  380.180   85.972   18.233   2.3847   19.480   2.2735 -1.246704 3.294826 
1 1 1   17   11   22 o   7.7484   2.3173   10.015   60.196 -16.6905   79.867   45.136   91.591   6.8379   3.0305   8.6588   3.5065 -1.820936 4.634570 
1 1 1   17   11   23 o   10.996   2.5419  135.578   70.654  192.614   82.984 -14.7265  134.712   13.231   3.2537   8.7611   3.9062 4.469546 5.083827 
1 1 1   17   11   24 o   14.898   2.9387  257.318   86.897  220.460  111.563  314.172  138.559   13.691   3.9677   16.105   4.3359 -2.413265 5.877341 
1 1 1   17   12    0 o   45.058   0.6019  1970.61   52.582  1958.34   72.549  1984.18   76.319   44.911   0.8322   45.206   0.8697 -0.2945366 1.203704 
1 1 1   17   12    1 o  140.363   1.1003 19145.42  299.731 19164.92  419.745 19125.13  428.147  140.438   1.5397  140.288   1.5722 0.1492920 2.200559 
1 1 1   17   12    2 o  104.455   0.8715 10594.09  176.501 10520.73  243.383 10675.45  256.339  104.075   1.2047  104.834   1.2596 -0.7589264 1.742984 
1 1 1   17   12    3 f  117.190   0.9715 13340.61  220.794 13284.07  305.289 13402.62  319.708  116.932   1.3450  117.448   1.4023 -0.5155411 1.943045 
1 1 1   17   12    4 o   72.990   0.7066  5175.66  100.068  5246.82  140.129  5101.61  142.948   73.503   0.9821   72.477   1.0160 1.025734 1.413109 
1 1 1   17   12    5 o   82.672   0.7707  6642.72  123.604  6842.69  173.623  6437.21  176.007   83.935   1.0656   81.408   1.1138 2.527489 1.541433 
1 1 1   17   12    6 o  123.325   1.0089 14786.18  241.158 14885.86  332.587 14675.67  350.191  123.768   1.3843  122.882   1.4681 0.8861389 2.017818 
1 1 1   17   12    7 o   27.417   0.9260  729.071   49.144  713.473   66.725  747.565   72.655   27.098   1.2685   27.736   1.3494 -0.6379280 1.852025 
1 1 1   17   12    8 o  125.383   1.0322 15273.63  250.674 15165.24  342.687 15398.37  367.641  124.911   1.4133  125.855   1.5048 -0.9445496 2.064437 
1 1 1   17   12    9 o   20.217   1.2514  395.729   48.985  370.301   66.473  425.947   72.465   19.510   1.7552   20.923   1.7841 -1.413771 2.502786 
1 1 1   17   12   10 o   80.048   0.7823  6224.60  121.499  6189.30  168.992  6262.38  174.807   79.814   1.0907   80.281   1.1217 -0.4674530 1.564590 
1 1 1   17   12   11 o  148.770   1.3053 21549.27  376.942 21544.25  531.761 21554.35  534.402  148.754   1.8415  148.787   1.8503 -0.3268433E-01 2.610529 
1 1 1   17   12   12 o   16.386   1.7494  273.476   50.914  405.250   74.172  156.060   70.014   20.395   1.8735   12.377   2.9550 8.018039 3.498877 
1 1 1   17   12   13 o  102.717   0.9527 10260.38  189.940 10441.38  269.887 10082.75  267.362  103.615   1.3418  101.819   1.3527 1.796661 1.905338 
1 1 1   17   12   14 o   97.669   0.9232  9273.60  174.964  9107.01  243.160  9452.45  251.945   96.762   1.2946   98.577   1.3166 -1.814423 1.846463 
1 1 1   17   12   15 o   55.183   0.7731  2961.06   82.703  2958.69  113.953  2963.70  120.217   55.163   1.0642   55.204   1.1218 -0.4119492E-01 1.546293 
1 1 1   17   12   16 o  115.714   1.0653 13057.20  239.291 13070.47  338.368 13043.93  338.449  115.773   1.5056  115.655   1.5075 0.1182861 2.130612 
1 1 1   17   12   17 o   46.012   0.8280  2062.55   73.933  2093.38  103.746  2030.74  105.387   46.364   1.1527   45.660   1.1890 0.7037964 1.656061 
1 1 1   17   12   18 o   48.182   0.8141  2261.71   76.044  2245.58  104.763  2279.67  110.555   48.005   1.1242   48.359   1.1777 -0.3537140 1.628161 
1 1 1   17   12   19 o   32.745   1.0567  1047.37   67.066  1004.75   91.847  1096.04   98.160   32.037   1.4769   33.454   1.5116 -1.417000 2.113300 
1 1 1   17   12   20 o   19.863   1.5813  395.364   60.388  412.965   81.202  373.584   90.327   20.401   2.0505   19.324   2.4080 1.076782 3.162691 
1 1 1   17   12   21 o   15.022   2.0071  240.705   56.236  299.118   77.341  175.178   81.915   17.271   2.3070   12.774   3.2850 4.496554 4.014124 
1 1 1   17   12   22 o   21.982   1.8362  444.945   73.844  355.770   88.191  654.124  135.071   18.728   2.4258   25.237   2.7572 -6.508192 3.672429 
1 1 1   17   12   23 o   24.253   1.4088  591.304   66.277  583.799   91.741  599.497   95.855   24.105   1.9606   24.400   2.0237 -0.2948303 2.817691 
1 1 1   17   12   24 o   14.749   2.6309  276.918   82.749  356.535  101.744  121.348  142.223   18.346   2.8570   11.152   4.4187 7.193658 5.261886 
1 1 1   17   13    0 o  154.197   1.1258 23119.65  336.126 23304.68  460.317 22908.31  491.967  154.866   1.5312  153.529   1.6507 1.336868 2.251576 
1 1 1   17   13    1 o  119.468   0.9357 13850.14  216.416 13672.53  294.560 14058.47  319.019  118.640   1.2790  120.296   1.3662 -1.655914 1.871440 
1 1 1   17   13    2 o  109.095   0.8764 11548.72  185.242 11370.52  253.414 11753.20  271.460  108.195   1.2066  109.996   1.2713 -1.800980 1.752762 
1 1 1   17   13    3 o   50.251   0.6257  2451.23   60.873  2441.39   83.038  2462.66   89.499   50.143   0.8531   50.359   0.9155 -0.2163162 1.251400 
1 1 1   17   13    4 o  103.128   0.8704 10326.70  173.954 10240.45  238.817 10424.17  253.892  102.672   1.1983  103.584   1.2627 -0.9119415 1.740730 
1 1 1   17   13    5 o   96.298   0.8418  9008.25  157.362  9022.07  223.201  8994.60  221.891   96.371   1.1931   96.224   1.1879 0.1464767 1.683664 
1 1 1   17   13    6 o  175.577   1.2965 30010.10  440.414 30308.45  600.585 29663.03  647.767  176.538   1.7526  174.616   1.9110 1.922073 2.592968 
1 1 1   17   13    7 o   76.234   0.7403  5638.77  109.365  5544.48  149.854  5746.21  159.971   75.554   1.0217   76.914   1.0714 -1.359581 1.480529 
1 1 1   17   13    8 o   86.757   0.8095  7309.44  136.206  7248.81  188.316  7375.95  197.242   86.381   1.1231   87.132   1.1662 -0.7511520 1.619011 
1 1 1   17   13    9 o   57.529   0.7047  3217.66   78.611  3293.23  109.491  3137.27  112.934   58.228   0.9687   56.830   1.0237 1.397972 1.409368 
1 1 1   17   13   10 o   52.566   0.6976  2683.29   71.171  2753.67  101.730  2615.83   99.604   53.241   0.9843   51.891   0.9888 1.349796 1.395226 
1 1 1   17   13   11 o   44.776   0.7629  1952.49   66.121  2022.99   91.227  1874.47   95.970   45.632   1.0299   43.921   1.1256 1.711124 1.525701 
1 1 1   17   13   12 o   73.427   0.7686  5239.68  109.544  5205.60  154.276  5274.34  155.568   73.186   1.0859   73.668   1.0879 -0.4814606 1.537110 
1 1 1   17   13   13 f   61.400   0.7447  3664.73   88.713  3697.79  123.763  3629.79  127.227   61.686   1.0336   61.114   1.0724 0.5726318 1.489428 
1 1 1   17   13   14 o   38.432   0.8919  1438.16   66.460  1479.50   92.643  1394.33   95.395   39.004   1.2236   37.860   1.2980 1.143986 1.783800 
1 1 1   17   13   15 o   25.388   1.2161  630.391   59.642  704.633   84.597  557.023   84.098   26.885   1.6210   23.891   1.8134 2.994453 2.432276 
1 1 1   17   13   16 o  102.131   0.9643 10164.18  191.172 10087.38  270.287 10241.05  270.430  101.744   1.3685  102.519   1.3589 -0.7748566 1.928592 
1 1 1   17   13   17 o   36.284   0.8589  1279.90   60.334  1417.20   87.412  1154.98   83.380   38.142   1.1806   34.426   1.2477 3.716450 1.717731 
1 1 1   17   13   18 f   12.549   2.2838  164.350   55.951  154.198   82.335  173.061   76.265   12.191   3.3677   12.907   3.0857 -0.7162304 4.567612 
1 1 1   17   13   19 o   30.571   1.0440  902.763   61.488  814.193   81.111  1022.43   94.282   28.837   1.4490   32.305   1.5035 -3.467239 2.088061 
1 1 1   17   13   20 o   12.513   2.3147  156.488   60.164   80.980   79.809  255.881   91.566   9.4504   3.4046   15.577   3.1368 -6.126175 4.629364 
1 1 1   17   13   21 o   12.883   2.7077  149.297   67.610  104.553   79.060  271.091  130.438   10.184   3.4039   15.582   4.2119 -5.398401 5.415395 
1 1 1   17   13   22 o   15.218   2.0034  242.931   57.770  214.057   81.273  272.417   82.131   14.108   3.0561   16.328   2.5912 -2.220778 4.006736 
1 1 1   17   13   23 o   11.526   2.5430  146.024   62.891  136.895   85.112  157.003   93.339   11.177   3.5168   11.874   3.6742 -0.6964464 5.085993 
1 1 1   17   13   24 o   13.541   2.9965  224.791   88.484  250.636  113.763  185.212  140.781   14.546   3.9341   12.536   4.5211 2.010077 5.993098 
1 1 1   17   14    0 o   97.330   0.8189  9202.63  154.592  9255.48  214.772  9145.82  222.696   97.621   1.1334   97.038   1.1822 0.5827484 1.637739 
1 1 1   17   14    1 o   70.617   0.6805  4842.98   93.235  4859.69  129.771  4825.15  134.040   70.744   0.9450   70.490   0.9796 0.2530975 1.361092 
1 1 1   17   14    2 o  155.143   1.1507 23373.63  343.077 23239.70  453.544 23552.77  524.528  154.640   1.5109  155.646   1.7361 -1.006317 2.301461 
1 1 1   17   14    3 o   78.441   0.7178  5971.03  109.130  5895.97  149.776  6055.98  159.334   77.917   0.9903   78.965   1.0395 -1.047836 1.435645 
1 1 1   17   14    4 o  109.964   0.8926 11727.82  190.002 11496.24  258.028 12002.12  280.825  108.783   1.2219  111.144   1.3016 -2.360886 1.785294 
1 1 1   17   14    5 o   40.867   0.7019  1623.70   55.521  1646.12   76.010  1598.06   81.292   41.171   0.9511   40.563   1.0324 0.6074333 1.403705 
1 1 1   17   14    6 o   22.703   1.0361  503.164   44.846  630.037   64.820  386.672   62.111   25.464   1.3113   19.943   1.6044 5.520782 2.072134 
1 1 1   17   14    7 o  124.024   1.0221 14952.34  245.781 14979.28  339.729 14922.75  356.016  124.145   1.4097  123.902   1.4802 0.2431641 2.044111 
1 1 1   17   14    8 o   96.633   0.8577  9074.52  160.756  9108.63  222.998  9037.63  231.952   96.824   1.1865   96.441   1.2390 0.3826370 1.715459 
1 1 1   17   14    9 o  126.925   1.0475 15661.09  257.745 15613.03  355.111 15714.60  374.689  126.725   1.4436  127.125   1.5184 -0.4001999 2.095068 
1 1 1   17   14   10 o   34.169   0.8332  1133.72   55.238  1176.78   79.371  1093.27   76.923   34.798   1.1750   33.540   1.1815 1.257774 1.666303 
1 1 1   17   14   11 o  101.921   0.9427 10099.50  186.502 10118.39  263.402 10080.50  264.107  102.017   1.3301  101.825   1.3362 0.1919708 1.885326 
1 1 1   17   14   12 o   59.810   0.7379  3475.93   85.669  3541.32  121.772  3411.84  120.546   60.367   1.0392   59.253   1.0480 1.114487 1.475888 
1 1 1   17   14   13 o   61.429   0.7479  3667.79   89.133  3681.70  124.188  3653.02  128.005   61.550   1.0394   61.307   1.0756 0.2429619 1.495750 
1 1 1   17   14   14 o  115.536   1.0514 12994.92  235.795 12992.96  332.748 12996.90  334.187  115.528   1.4838  115.544   1.4900 -0.1605225E-01 2.102738 
1 1 1   17   14   15 o  101.193   0.9510  9970.28  186.794  9878.06  263.261 10063.77  265.083  100.722   1.3465  101.665   1.3432 -0.9431915 1.901900 
1 1 1   17   14   16 o   55.259   0.7691  2971.28   82.487  2906.09  116.228  3037.44  117.085   54.647   1.0957   55.870   1.0796 -1.223423 1.538174 
1 1 1   17   14   17 f   23.139   1.2687  529.200   56.362  447.989   80.746  606.366   78.709   21.373   1.9462   24.904   1.6281 -3.531141 2.537410 
1 1 1   17   14   18 o   35.077   0.9320  1203.52   63.258  1093.33   89.426  1313.88   89.493   33.458   1.3769   36.697   1.2563 -3.238808 1.863914 
1 1 1   17   14   19 o   28.636   1.0858  804.319   60.329  798.287   86.507  810.030   84.177   28.526   1.5622   28.745   1.5085 -0.2193508 2.171691 
1 1 1   17   14   20 o   27.958   1.1463  761.377   61.498  716.120   80.177  826.055   95.849   26.982   1.5308   28.933   1.7066 -1.950653 2.292531 
1 1 1   17   14   21 o   42.142   0.9015  1746.97   73.507  1833.87  101.696  1651.89  106.370   43.264   1.2109   41.020   1.3359 2.244255 1.803013 
1 1 1   17   14   22 o   47.358   0.8596  2202.81   79.024  2209.78  111.416  2195.75  112.100   47.436   1.2100   47.280   1.2214 0.1560173 1.719282 
1 1 1   17   14   23 o   20.851   1.5674  443.994   62.988  466.268   85.677  417.795   92.921   21.489   2.0539   20.213   2.3682 1.276218 3.134772 
1 1 1   17   14   24 o   19.550   2.5409  472.186   87.816  585.846  112.357  293.763  140.774   23.745   2.4376   15.356   4.4590 8.389529 5.081785 
1 1 1   17   15    0 o   42.050   0.6019  1715.69   48.909  1705.19   66.021  1728.45   72.814   41.908   0.8116   42.191   0.8891 -0.2833824 1.203761 
1 1 1   17   15    1 o   31.545   0.7495  968.499   45.467  982.014   60.528  950.998   68.877   31.800   0.9805   31.291   1.1339 0.5090046 1.499093 
1 1 1   17   15    2 f   59.440   0.6410  3429.38   73.883  3400.33  101.931  3461.54  107.245   59.176   0.8874   59.705   0.9253 -0.5290565 1.282059 
1 1 1   17   15    3 o   33.888   0.8825  1145.41   53.225  1194.46   64.380  1039.50   94.604   35.071   0.9457   32.704   1.4902 2.367107 1.764917 
1 1 1   17   15    4 o   89.996   0.8241  7868.04  143.858  7876.57  199.626  7858.84  207.493   90.049   1.1420   89.944   1.1884 0.1044006 1.648191 
1 1 1   17   15    5 o  125.891   1.0205 15400.91  249.068 15366.39  343.430 15439.21  361.755  125.746   1.4069  126.036   1.4786 -0.2893829 2.041028 
1 1 1   17   15    6 o   30.747   0.7851  918.317   46.858  919.582   66.514  917.070   66.024   30.768   1.1136   30.726   1.1069 0.4189491E-01 1.570203 
1 1 1   17   15    7 o   49.559   0.6732  2382.68   64.714  2254.76   90.004  2519.59   93.115   48.183   0.9623   50.934   0.9418 -2.751728 1.346450 
1 1 1   17   15    8 f   66.214   0.6977  4255.89   89.629  4184.70  124.369  4332.82  129.283   65.638   0.9761   66.789   0.9972 -1.150566 1.395391 
1 1 1   17   15    9 o  122.971   1.0035 14700.81  239.525 14620.05  335.812 14784.45  341.744  122.629   1.4107  123.314   1.4277 -0.6850204 2.007065 
1 1 1   17   15   10 o   64.161   0.7080  4000.74   88.118  4043.98  122.753  3954.76  126.571   64.520   0.9801   63.801   1.0220 0.7181854 1.415994 
1 1 1   17   15   11 o   52.167   0.7199  2644.73   72.885  2698.57  102.761  2590.23  103.393   52.702   1.0045   51.632   1.0316 1.070244 1.439834 
1 1 1   17   15   12 o   29.704   0.9960  856.947   57.218  843.383   77.361  873.329   85.016   29.448   1.3533   29.961   1.4618 -0.5131378 1.992067 
1 1 1   17   15   13 o   24.011   1.2070  562.006   56.185  571.114   77.874  552.118   81.142   24.217   1.6566   23.806   1.7559 0.4110489 2.413990 
1 1 1   17   15   14 o   45.219   0.7747  1987.78   67.993  2029.42   96.650  1946.98   95.671   45.688   1.0898   44.750   1.1014 0.9383698 1.549382 
1 1 1   17   15   15 o   18.284   1.5825  328.086   56.071  341.623   78.186  313.751   80.457   18.680   2.1562   17.889   2.3169 0.7901669 3.165004 
1 1 1   17   15   16 o   46.142   0.8134  2066.22   72.725  1968.77   99.215  2179.37  106.912   44.972   1.1365   47.313   1.1641 -2.340847 1.626884 
1 1 1   17   15   17 o   33.642   1.0869  1113.48   70.151  1050.46  105.914  1162.72   93.633   32.768   1.6651   34.515   1.3975 -1.746712 2.173830 
1 1 1   17   15   18 o   52.813   0.7942  2720.26   81.359  2759.98  113.445  2678.20  116.743   53.215   1.0982   52.411   1.1475 0.8042831 1.588320 
1 1 1   17   15   19 o   45.024   0.8488  1983.88   74.061  2062.74  103.270  1900.36  106.271   45.958   1.1576   44.091   1.2416 1.866482 1.697548 
1 1 1   17   15   20 o   32.710   0.9937  1051.17   63.068  1026.45   89.707  1075.34   88.684   32.323   1.4297   33.097   1.3803 -0.7743950 1.987322 
1 1 1   17   15   21 f   40.651   0.8822  1623.17   68.942  1639.67   91.625  1601.64  104.668   40.920   1.1535   40.383   1.3352 0.5377502 1.764468 
1 1 1   17   15   22 o   17.452   1.8686  313.385   62.791  318.260   84.157  307.263   94.309   17.672   2.4532   17.233   2.8192 0.4390125 3.737163 
1 1 1   17   15   23 o   32.085   1.0872  1022.81   67.625  1087.68   96.017  958.961   95.260   33.115   1.4937   31.055   1.5802 2.060801 2.174432 
1 1 1   17   15   24 o   18.957   2.5429  434.147   87.319  526.339  113.223  298.835  137.169   22.386   2.6055   15.527   4.3676 6.858828 5.085714 
1 1 1   17   16    0 o   66.697   0.6689  4319.27   86.465  4310.59  118.857  4329.04  126.015   66.627   0.9190   66.767   0.9723 -0.1405869 1.337867 
1 1 1   17   16    1 o   32.257   0.7122  1009.09   44.116  1000.81   58.152  1020.32   67.712   32.103   0.9331   32.412   1.0762 -0.3086624 1.424421 
1 1 1   17   16    2 o   82.801   0.7495  6664.62  120.319  6795.84  167.094  6523.31  173.395   83.650   1.0290   81.952   1.0900 1.697678 1.498979 
1 1 1   17   16    3 o   71.917   0.7025  5024.83   98.007  5084.02  136.703  4962.24  140.583   72.354   0.9733   71.480   1.0132 0.8735504 1.404941 
1 1 1   17   16    4 o   67.717   0.8308  4380.23  102.100  4251.62  123.194  4662.34  182.455   66.166   0.9592   69.268   1.3569 -3.102356 1.661696 
1 1 1   17   16    5 o   62.421   0.6655  3784.66   80.609  3820.14  112.940  3747.82  115.087   62.719   0.9276   62.122   0.9544 0.5974731 1.330916 
1 1 1   17   16    6 o   67.089   0.6958  4370.58   90.566  4345.25  125.819  4397.81  130.465   66.888   0.9690   67.290   0.9988 -0.4020538 1.391612 
1 1 1   17   16    7 o   60.902   0.6801  3602.62   80.390  3615.20  112.802  3589.64  114.597   61.011   0.9525   60.794   0.9711 0.2168732 1.360199 
1 1 1   17   16    8 o   49.627   0.6774  2387.75   65.198  2291.86   89.822  2494.54   94.787   48.576   0.9526   50.678   0.9635 -2.101959 1.354900 
1 1 1   17   16    9 f   66.476   0.7128  4293.55   91.942  4455.88  130.419  4133.16  129.636   67.726   0.9920   65.226   1.0239 2.500465 1.425612 
1 1 1   17   16   10 o   76.164   0.7691  5637.72  113.665  5686.47  159.057  5586.84  162.493   76.502   1.0711   75.827   1.1039 0.6756134 1.538134 
1 1 1   17   16   11 o   39.607   0.7903  1525.08   60.737  1506.42   86.772  1543.01   85.043   39.369   1.1354   39.846   1.0995 -0.4770660 1.580536 
1 1 1   17   16   12 o   67.327   0.7649  4402.04   99.900  4323.19  138.195  4488.35  144.582   66.697   1.0674   67.957   1.0960 -1.259720 1.529881 
1 1 1   17   16   13 o   11.220   1.9945  118.430   52.401   8.8069   75.416  220.758   72.863   7.4168   3.1096   15.022   2.4986 -7.605532 3.989074 
1 1 1   17   16   14 o   19.429   1.4280  368.728   53.132  292.901   73.240  452.967   77.196   17.310   2.1797   21.548   1.8456 -4.237991 2.856059 
1 1 1   17   16   15 o   66.613   0.7677  4315.16   99.165  4280.48  136.850  4353.50  143.898   66.335   1.0628   66.892   1.1082 -0.5568390 1.535437 
1 1 1   17   16   16 o   54.727   0.9046  2889.70   93.556  3041.17  152.381  2798.06  118.525   55.845   1.4057   53.610   1.1389 2.235546 1.809167 
1 1 1   17   16   17 o   17.474   1.7426  296.809   58.445  242.324   77.763  367.536   88.600   15.648   2.5600   19.299   2.3650 -3.650551 3.485276 
1 1 1   17   16   18 o   33.464   1.0000  1090.62   64.409  1064.52   85.231  1125.37   98.346   33.013   1.3300   33.915   1.4938 -0.9024429 2.000077 
1 1 1   17   16   19 o   18.458   1.6413  345.139   56.847  365.307   73.059  314.193   90.500   19.221   1.9580   17.695   2.6348 1.526655 3.282668 
1 1 1   17   16   20 f   27.460   1.1498  744.785   61.194  766.183   84.993  721.753   88.177   27.885   1.5702   27.035   1.6802 0.8499241 2.299680 
1 1 1   17   16   21 o   47.449   0.8313  2208.61   76.477  2100.03  108.743  2314.87  107.576   46.280   1.2104   48.617   1.1399 -2.337437 1.662665 
1 1 1   17   16   22 o   16.506   1.9971  287.247   61.909  297.200   83.130  274.853   92.765   17.046   2.5123   15.965   3.1050 1.080482 3.994114 
1 1 1   17   16   23 o   30.035   1.2863  901.714   74.394  929.951  113.260  880.289   98.661   30.392   1.9198   29.679   1.7125 0.7134438 2.572609 
1 1 1   17   16   24 o   12.320   4.0414  179.950  111.617  179.950  111.617   0.0000   0.0000   12.320   4.0414  ?   ?       ?      ? 
1 1 1   17   17    0 o   60.858   0.6466  3601.53   76.249  3694.70  105.505  3499.66  110.321   61.684   0.8811   60.032   0.9467 1.652393 1.293294 
1 1 1   17   17    1 o  101.742   0.8480 10054.23  167.354 10016.47  232.072 10095.13  241.563  101.545   1.1773  101.939   1.2207 -0.3947372 1.695968 
1 1 1   17   17    2 o   80.001   0.7387  6213.42  114.614  6155.36  158.556  6276.96  165.868   79.610   1.0260   80.391   1.0629 -0.7806244 1.477304 
1 1 1   17   17    3 o   62.160   0.6535  3751.07   78.815  3718.70  109.585  3785.75  113.438   61.882   0.9123   62.437   0.9359 -0.5545006 1.306986 
1 1 1   17   17    4 o   96.216   0.8359  8978.47  155.834  8766.28  212.933  9223.19  228.672   94.996   1.1547   97.436   1.2090 -2.440254 1.671838 
1 1 1   17   17    5 o   32.741   0.7872  1040.89   49.720  1037.49   66.644  1045.16   74.667   32.683   1.0505   32.800   1.1727 -0.1175804 1.574394 
1 1 1   17   17    6 o   40.892   0.6998  1625.29   55.425  1642.44   76.090  1605.91   80.897   41.123   0.9532   40.661   1.0249 0.4619675 1.399639 
1 1 1   17   17    7 o   49.927   0.6760  2416.30   65.207  2373.98   87.689  2468.64   97.526   49.441   0.9137   50.414   0.9966 -0.9731445 1.352020 
1 1 1   17   17    8 o   11.921   2.0319  146.042   46.295  158.546   61.194  129.308   70.792   12.517   2.6033   11.325   3.1204 1.192007 4.063756 
1 1 1   17   17    9 o   70.206   0.7191  4786.41   97.986  4681.06  136.907  4897.05  140.301   69.414   1.0160   70.997   1.0180 -1.583214 1.438299 
1 1 1   17   17   10 o   89.953   0.8224  7863.71  143.587  7890.35  202.170  7836.59  203.967   90.107   1.1558   89.798   1.1701 0.3088760 1.644716 
1 1 1   17   17   11 o   94.571   0.8947  8696.27  164.236  8765.18  232.431  8627.55  232.098   94.945   1.2611   94.196   1.2693 0.7494965 1.789303 
1 1 1   17   17   12 o   64.244   0.7516  4011.98   93.708  4074.21  131.803  3948.36  133.254   64.749   1.0486   63.739   1.0770 1.010017 1.503183 
1 1 1   17   17   13 o   72.832   0.7778  5155.34  109.945  5101.07  153.488  5212.52  157.564   72.440   1.0915   73.225   1.1085 -0.7853012 1.555689 
1 1 1   17   17   14 o   44.343   0.8000  1898.37   68.547  1771.29   91.748  2058.94  103.129   42.677   1.1075   46.008   1.1547 -3.331127 1.599958 
1 1 1   17   17   15 o   11.527   2.5142  124.457   64.449  189.972   95.396   69.445   87.415   13.567   3.5728   9.4865   3.5384 4.080671 5.028460 
1 1 1   17   17   16 o   28.247   1.1146  791.286   59.846  851.758   79.005  709.871   91.670   29.554   1.3771   26.941   1.7529 2.613039 2.229157 
1 1 1   17   17   17 o   28.704   1.0974  800.030   60.774  758.134   80.796  854.622   92.228   27.852   1.4944   29.555   1.6076 -1.703293 2.194874 
1 1 1   17   17   18 o   16.108   1.8949  264.407   57.178  278.259   76.674  247.053   85.822   16.756   2.3572   15.461   2.9675 1.295749 3.789820 
1 1 1   17   17   19 o   36.430   0.9327  1299.18   65.802  1294.62   89.989  1304.41   96.466   36.372   1.2745   36.488   1.3619 -0.1160660 1.865308 
1 1 1   17   17   20 o   45.312   0.8137  2010.50   71.275  2023.20   96.697  1995.39  105.471   45.487   1.0951   45.138   1.2037 0.3485107 1.627343 
1 1 1   17   17   21 o   47.299   0.8426  2194.13   77.346  2215.55  108.496  2172.00  110.292   47.540   1.1757   47.057   1.2074 0.4823341 1.685249 
1 1 1   17   17   22 o   18.643   1.6248  349.550   58.072  433.081   86.362  280.612   78.457   20.708   2.1484   16.577   2.4382 4.131826 3.249683 
1 1 1   17   17   23 o   15.604   2.7493  278.583   81.326  263.322  103.539  303.162  131.400   15.236   3.5642   15.971   4.1871 -0.7355528 5.498667 
1 1 1   17   18    0 o   30.671   0.7106  921.604   41.724  969.594   55.504  859.250   63.267   31.599   0.9049   29.743   1.0958 1.855768 1.421119 
1 1 1   17   18    1 o   35.617   0.6980  1229.22   48.065  1202.66   64.833  1261.64   71.620   35.191   0.9491   36.042   1.0237 -0.8509407 1.395933 
1 1 1   17   18    2 o  115.369   0.9584 12935.54  214.495 13004.50  298.523 12861.93  308.401  115.689   1.3293  115.048   1.3809 0.6409073 1.916759 
1 1 1   17   18    3 o   52.127   0.6473  2639.49   65.477  2684.93   92.045  2592.94   93.161   52.582   0.9018   51.673   0.9288 0.9094353 1.294530 
1 1 1   17   18    4 o   61.238   0.6788  3644.52   80.559  3690.28  111.227  3594.04  116.835   61.644   0.9295   60.832   0.9894 0.8113785 1.357538 
1 1 1   17   18    5 o   68.318   0.7028  4529.40   93.056  4468.92  127.691  4597.90  135.893   67.834   0.9697   68.803   1.0175 -0.9696426 1.405568 
1 1 1   17   18    6 o   48.093   0.6749  2239.68   62.711  2181.40   84.207  2312.26   93.967   47.393   0.9153   48.792   0.9921 -1.398235 1.349850 
1 1 1   17   18    7 o   81.464   0.7787  6448.18  123.125  6514.17  173.055  6380.53  175.215   81.887   1.0887   81.041   1.1138 0.8460617 1.557489 
1 1 1   17   18    8 o   41.801   0.7403  1694.67   59.900  1660.91   81.368  1734.61   88.504   41.349   1.0137   42.254   1.0790 -0.9050331 1.480523 
1 1 1   17   18    9 o   57.687   0.6972  3231.47   78.054  3302.78  111.779  3163.61  109.042   58.307   0.9876   57.066   0.9844 1.241486 1.394362 
1 1 1   17   18   10 f   68.802   0.7360  4596.79   98.215  4536.54  135.839  4662.80  142.171   68.331   1.0241   69.273   1.0573 -0.9419937 1.471922 
1 1 1   17   18   11 o   20.158   1.4042  398.030   54.253  408.975   71.842  383.504   82.764   20.490   1.8063   19.826   2.1505 0.6634140 2.808390 
1 1 1   17   18   12 o   24.425   1.1628  579.289   54.744  567.845   72.896  594.093   82.907   24.153   1.5548   24.697   1.7294 -0.5435104 2.325522 
1 1 1   17   18   13 o   65.625   0.7593  4186.65   96.593  4189.19  133.175  4183.83  140.310   65.649   1.0450   65.601   1.1018 0.4743958E-01 1.518588 
1 1 1   17   18   14 o   31.969   1.1244  999.966   69.306  962.099  103.085  1031.20   93.623   31.406   1.6909   32.533   1.4825 -1.126955 2.248761 
1 1 1   17   18   15 o   25.577   1.1721  649.053   57.135  711.605   76.400  569.682   86.062   27.015   1.4569   24.139   1.8366 2.875994 2.344275 
1 1 1   17   18   16 o   39.439   0.8479  1517.28   64.735  1542.71   88.774  1488.39   94.602   39.799   1.1491   39.080   1.2471 0.7190781 1.695747 
1 1 1   17   18   17 o   38.204   0.8417  1422.67   62.392  1411.07   86.739  1435.10   89.812   38.045   1.1745   38.363   1.2060 -0.3179207 1.683433 
1 1 1   17   18   18 o   49.461   0.7496  2384.35   71.957  2437.60  102.983  2333.56  100.585   50.000   1.0610   48.922   1.0592 1.078259 1.499201 
1 1 1   17   18   19 o   13.152   2.1666  179.950   55.162  124.805   74.767  245.821   81.716   10.934   3.2696   15.369   2.8437 -4.435661 4.333237 
1 1 1   17   18   20 o   18.809   1.7425  362.127   59.830  252.936   82.241  484.888   87.202   15.551   2.8286   22.068   2.0356 -6.516953 3.484926 
1 1 1   17   18   21 o   27.486   1.1931  754.729   63.056  858.644   88.300  646.590   90.077   29.479   1.5431   25.493   1.8202 3.985956 2.386259 
1 1 1   17   18   22 o   10.842   2.4808  126.708   59.593  129.600   84.055  123.785   84.500   10.941   3.5007   10.743   3.5160 0.1979866 4.961564 
1 1 1   17   18   23 o   8.1046   2.5522 -12.0847   81.836   24.872  104.558 -70.5218  131.479   8.4190   3.6007   7.7901   3.6180 0.6288638 5.104360 
1 1 1   17   19    0 o   40.901   0.6321  1622.03   50.076  1589.82   68.302  1659.46   73.634   40.463   0.8696   41.338   0.9176 -0.8755608 1.264193 
1 1 1   17   19    1 o   46.660   0.6331  2105.66   57.047  2035.90   76.324  2193.95   85.870   45.789   0.8587   47.531   0.9307 -1.742210 1.266285 
1 1 1   17   19    2 o  126.082   1.0118 15453.57  247.310 15545.66  341.757 15352.34  358.330  126.480   1.3920  125.683   1.4687 0.7975159 2.023549 
1 1 1   17   19    3 o   64.099   0.6815  3985.61   84.619  3921.79  115.611  4059.24  124.188   63.548   0.9372   64.650   0.9896 -1.101898 1.362936 
1 1 1   17   19    4 o   54.677   0.6572  2904.25   69.674  2923.86   96.501  2882.89  100.702   54.871   0.9060   54.483   0.9522 0.3873253 1.314315 
1 1 1   17   19    5 o   38.888   0.7079  1466.11   52.854  1450.64   69.614  1487.17   81.214   38.648   0.9279   39.128   1.0692 -0.4797478 1.415725 
1 1 1   17   19    6 o   50.356   0.6707  2460.63   65.514  2409.67   90.618  2516.43   94.827   49.810   0.9372   50.901   0.9597 -1.090725 1.341408 
1 1 1   17   19    7 o   29.746   0.9110  861.722   52.493  905.827   73.262  815.191   75.249   30.531   1.2362   28.960   1.3386 1.570738 1.822043 
1 1 1   17   19    8 o   80.894   0.7862  6359.30  123.443  6455.34  174.165  6262.35  174.988   81.508   1.1008   80.279   1.1229 1.229431 1.572448 
1 1 1   17   19    9 o  105.254   0.9001 10763.59  183.817 10611.95  255.495 10926.30  264.660  104.487   1.2597  106.020   1.2860 -1.533012 1.800139 
1 1 1   17   19   10 o   62.185   0.7239  3755.41   87.321  3951.32  124.973  3568.53  122.059   63.770   1.0096   60.600   1.0376 3.169392 1.447706 
1 1 1   17   19   11 o   36.007   0.9016  1267.80   62.604  1341.61   85.424  1182.17   92.013   37.150   1.1846   34.864   1.3596 2.285992 1.803245 
1 1 1   17   19   12 o   64.273   0.7506  4010.93   93.606  4167.27  134.887  3865.70  130.005   65.479   1.0612   63.066   1.0619 2.413830 1.501297 
1 1 1   17   19   13 o   68.919   0.9150  4636.85  118.584  4557.95  192.517  4685.08  150.531   68.424   1.4494   69.415   1.1171 -0.9902420 1.829976 
1 1 1   17   19   14 o   70.555   0.7802  4846.51  106.696  4922.63  147.631  4763.27  154.376   71.140   1.0690   69.969   1.1366 1.170769 1.560360 
1 1 1   17   19   15 o   21.186   1.2992  446.484   52.411  491.414   70.068  389.415   78.969   22.436   1.6088   19.937   2.0405 2.498886 2.598444 
1 1 1   17   19   16 o   7.2941   2.1815   4.9763   53.056  -5.5673   71.369   18.002   79.326   6.8303   2.9487   7.7578   3.2156 -0.9274855 4.362902 
1 1 1   17   19   17 o   29.211   1.0094  833.702   57.231  814.158   80.481  853.695   81.400   28.863   1.4364   29.558   1.4187 -0.6949883 2.018890 
1 1 1   17   19   18 o   26.698   1.0874  698.980   56.343  717.229   79.983  681.003   79.381   27.047   1.5234   26.350   1.5520 0.6969051 2.174713 
1 1 1   17   19   19 o   20.910   1.3924  437.745   55.831  365.679   79.716  507.132   78.220   19.163   2.1429   22.657   1.7785 -3.493385 2.784828 
1 1 1   17   19   20 o   18.973   1.5092  363.620   54.877  310.404   79.574  411.881   75.780   17.583   2.3314   20.364   1.9170 -2.781395 3.018350 
1 1 1   17   19   21 o   22.782   1.3850  520.300   60.750  602.989   86.811  440.947   85.042   24.607   1.8174   20.957   2.0904 3.650127 2.769974 
1 1 1   17   19   22 o   25.328   1.3155  641.748   64.367  560.972   89.169  729.633   93.010   23.630   1.9440   27.026   1.7729 -3.396406 2.631013 
1 1 1   17   19   23 o   17.253   2.6361  352.158   86.274  406.216  112.648  275.462  134.177   19.500   2.9759   15.006   4.3520 4.493867 5.272199 
1 1 1   17   20    0 o   66.860   0.8641  4409.71  102.694  4514.22  123.433  4174.71  185.096   68.180   0.9326   65.541   1.4549 2.639297 1.728128 
1 1 1   17   20    1 o   83.480   0.7583  6763.65  122.775  6651.31  169.541  6887.52  178.030   82.753   1.0554   84.208   1.0891 -1.454651 1.516608 
1 1 1   17   20    2 o   77.747   0.7286  5870.49  109.795  5865.43  151.230  5876.14  159.661   77.713   1.0025   77.781   1.0575 -0.6813049E-01 1.457119 
1 1 1   17   20    3 o   53.403   0.6541  2764.91   67.693  2693.77   92.609  2846.51   99.195   52.668   0.9058   54.139   0.9439 -1.471310 1.308214 
1 1 1   17   20    4 o   10.372   1.9394  101.183   41.254   56.492   54.245  162.488   63.533   8.0723   2.8163   12.672   2.6672 -4.599323 3.878852 
1 1 1   17   20    5 o  124.328   1.0031 15036.29  241.807 15301.00  335.760 14751.07  348.530  125.470   1.3785  123.185   1.4575 2.285400 2.006185 
1 1 1   17   20    6 o   80.175   0.7625  6243.77  118.649  6208.43  165.894  6280.77  169.762   79.943   1.0690   80.406   1.0876 -0.4631500 1.525043 
1 1 1   17   20    7 o   63.553   0.6807  3923.17   83.975  3912.93  118.157  3933.61  119.368   63.469   0.9590   63.636   0.9663 -0.1671257 1.361430 
1 1 1   17   20    8 o   84.863   0.8022  6997.50  132.123  6955.17  184.862  7041.71  188.903   84.602   1.1257   85.125   1.1432 -0.5230865 1.604360 
1 1 1   17   20    9 o   58.849   0.7201  3363.80   82.215  3339.89  114.075  3389.64  118.596   58.633   1.0023   59.066   1.0344 -0.4332848 1.440286 
1 1 1   17   20   10 o  152.967   1.2407 22778.96  368.265 22409.50  512.623 23172.97  529.391  151.690   1.7409  154.244   1.7681 -2.554047 2.481314 
1 1 1   17   20   11 o   62.163   0.7496  3756.45   90.431  3824.99  127.233  3686.47  128.553   62.738   1.0447   61.589   1.0753 1.148781 1.499227 
1 1 1   17   20   12 o   32.654   1.0543  1039.65   65.314  1029.30  103.735  1046.45   84.069   32.509   1.6439   32.798   1.3204 -0.2898598 2.108514 
1 1 1   17   20   13 o   50.911   0.7644  2520.77   75.336  2527.09  102.848  2513.45  110.662   50.983   1.0392   50.839   1.1214 0.1447296 1.528847 
1 1 1   17   20   14 o   19.411   1.4393  368.263   54.163  359.590   74.433  378.023   78.964   19.171   2.0001   19.651   2.0701 -0.4796162 2.878512 
1 1 1   17   20   15 o   38.916   1.1067  1496.67   72.682  1515.92   84.400  1441.41  142.984   39.463   1.1017   38.369   1.9198 1.094440 2.213434 
1 1 1   17   20   16 o   41.349   0.8171  1667.53   65.356  1685.49   89.090  1646.60   96.172   41.597   1.1033   41.100   1.2054 0.4970436 1.634121 
1 1 1   17   20   17 o   49.362   0.7623  2370.57   72.566  2340.47   96.951  2408.92  109.426   49.017   1.0189   49.707   1.1341 -0.6899834 1.524577 
1 1 1   17   20   18 o   35.105   0.9188  1208.74   62.349  1244.73   85.152  1167.15   91.543   35.684   1.2293   34.526   1.3659 1.158607 1.837612 
1 1 1   17   20   19 o   47.459   0.8012  2194.81   73.671  2039.14  100.840  2373.00  107.890   45.659   1.1377   49.259   1.1283 -3.599312 1.602348 
1 1 1   17   20   20 o   23.209   1.2663  532.824   56.991  563.303   82.738  505.307   78.615   23.840   1.7879   22.578   1.7937 1.262119 2.532549 
1 1 1   17   20   21 o   35.046   0.9190  1208.93   62.403  1202.74   90.944  1214.45   85.783   34.946   1.3407   35.146   1.2574 -0.2004318 1.838019 
1 1 1   17   20   22 o   29.166   1.1673  846.963   66.075  867.408   94.458  827.372   92.463   29.512   1.6489   28.821   1.6527 0.6908360 2.334563 
1 1 1   17   20   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21    0 o  164.569   1.2596 26321.69  401.179 26116.70  545.639 26562.90  591.885  163.884   1.7152  165.253   1.8451 -1.369797 2.519164 
1 1 1   17   21    1 o  101.695   0.8669 10037.77  170.820  9895.27  233.857 10200.77  250.113  100.924   1.1937  102.465   1.2575 -1.540955 1.733806 
1 1 1   17   21    2 o   43.607   0.6579  1843.51   55.548  1805.10   75.534  1888.75   81.975   43.114   0.9025   44.100   0.9576 -0.9861107 1.315877 
1 1 1   17   21    3 o   21.339   1.0342  447.741   42.341  496.447   57.923  391.851   62.048   22.603   1.3202   20.075   1.5922 2.527203 2.068327 
1 1 1   17   21    4 o   63.644   0.8156  3934.41   95.799  3932.69  118.356  3937.67  163.136   63.633   0.9582   63.655   1.3202 -0.2138901E-01 1.631298 
1 1 1   17   21    5 o  111.537   0.9447 12095.19  204.360 12202.30  283.900 11980.00  294.403  112.053   1.3052  111.021   1.3661 1.032227 1.889360 
1 1 1   17   21    6 o   73.296   0.7219  5215.81  102.659  5140.23  142.352  5297.71  148.185   72.744   1.0081   73.848   1.0337 -1.104355 1.443895 
1 1 1   17   21    7 o   51.498   0.6881  2576.29   68.782  2565.63   97.278  2586.95   97.267   51.391   0.9751   51.605   0.9710 -0.2133255 1.376100 
1 1 1   17   21    8 o   35.483   0.7895  1223.45   54.376  1244.06   77.030  1202.98   76.768   35.781   1.1090   35.185   1.1240 0.5961914 1.578995 
1 1 1   17   21    9 o   16.795   1.5874  273.412   51.495  258.212   68.797  292.777   77.656   16.270   2.1783   17.320   2.3098 -1.049471 3.174876 
1 1 1   17   21   10 f   34.534   0.9134  1168.25   60.581  1229.52   81.334  1091.89   90.795   35.564   1.1781   33.504   1.3960 2.060036 1.826715 
1 1 1   17   21   11 o   82.758   0.9895  6649.68  151.342  6706.89  257.378  6619.45  187.108   83.000   1.5974   82.516   1.1681 0.4843292 1.978975 
1 1 1   17   21   12 o   24.280   1.1982  568.566   56.085  527.401   74.191  623.462   85.676   23.268   1.6426   25.293   1.7450 -2.024519 2.396476 
1 1 1   17   21   13 o   56.315   0.7439  3083.57   81.139  3078.41  111.060  3089.47  118.830   56.268   1.0168   56.362   1.0861 -0.9400558E-01 1.487773 
1 1 1   17   21   14 o   32.666   1.1448  1055.92   66.676  1079.21   80.313  1004.27  119.605   33.291   1.2428   32.042   1.9230 1.249378 2.289600 
1 1 1   17   21   15 o   21.501   1.3189  450.532   54.846  429.179   73.858  476.782   81.891   20.941   1.8169   22.062   1.9122 -1.120937 2.637770 
1 1 1   17   21   16 o   7.6889   2.2059   21.678   53.435   55.678   68.543 -31.0001   85.318   8.4226   3.1349   6.9551   3.1043 1.467498 4.411808 
1 1 1   17   21   17 o   43.625   0.8157  1861.60   68.780  1922.19   93.949  1791.62  100.969   44.403   1.0900   42.846   1.2140 1.557362 1.631496 
1 1 1   17   21   18 o   48.602   0.7911  2301.69   74.532  2205.58  102.210  2410.83  108.918   47.524   1.1079   49.680   1.1294 -2.156277 1.582104 
1 1 1   17   21   19 o   16.861   1.9438  313.669   57.931  427.078   78.981  181.609   85.228   20.730   1.9627   12.992   3.3558 7.738293 3.887618 
1 1 1   17   21   20 f   8.2860   2.3153   34.847   58.195   87.252   82.481 -17.0999   82.120   9.6282   3.4619   6.9437   3.0754 2.684494 4.630660 
1 1 1   17   21   21 o   8.4203   2.3266   51.632   55.315   71.816   80.969   33.968   75.747   9.0365   3.3986   7.8042   3.1783 1.232295 4.653148 
1 1 1   17   21   22 o   6.8659   2.1743 -20.3249   59.153 -20.9066   90.505 -19.8911   78.156   7.1111   3.1839   6.6206   2.9619 0.4904332 4.348538 
1 1 1   17   21   23 o   8.8104   2.5847   32.265   80.141  107.220  100.135 -101.3003  133.669   10.180   3.7890   7.4411   3.5164 2.738545 5.169304 
1 1 1   17   22    0 o   74.855   0.7034  5435.05  102.061  5322.77  139.978  5562.49  149.129   74.032   0.9740   75.678   1.0151 -1.646683 1.406864 
1 1 1   17   22    1 o   10.104   1.9329  103.387   39.043  116.350   53.495   88.612   57.112   10.712   2.5991   9.4950   2.8618 1.217060 3.865875 
1 1 1   17   22    2 o   72.475   0.7006  5103.58   98.525  5195.89  138.194  5008.15  140.507   73.143   0.9733   71.807   1.0080 1.335304 1.401217 
1 1 1   17   22    3 o   80.940   0.7547  6365.14  118.555  6449.84  166.617  6278.29  168.728   81.486   1.0533   80.394   1.0812 1.092712 1.509465 
1 1 1   17   22    4 o   46.150   0.6726  2071.00   60.085  2102.38   82.270  2035.13   87.960   46.527   0.9109   45.774   0.9899 0.7526779 1.345252 
1 1 1   17   22    5 o   32.803   0.7774  1043.60   49.122  1031.49   65.361  1059.32   74.466   32.586   1.0333   33.019   1.1618 -0.4330292 1.554802 
1 1 1   17   22    6 o   27.461   0.9230  734.687   49.045  758.617   67.422  707.792   71.476   27.938   1.2432   26.983   1.3646 0.9558258 1.845993 
1 1 1   17   22    7 o   86.837   0.7973  7327.92  134.398  7380.87  189.577  7274.41  190.563   87.153   1.1206   86.521   1.1346 0.6321182 1.594698 
1 1 1   17   22    8 o   53.387   0.6906  2762.17   71.479  2637.56   98.074  2903.35  104.394   52.106   0.9696   54.668   0.9837 -2.561733 1.381264 
1 1 1   17   22    9 o   24.274   1.0711  571.252   50.371  539.740   68.662  607.974   74.122   23.552   1.5018   24.995   1.5277 -1.443317 2.142250 
1 1 1   17   22   10 o   91.436   0.9930  8086.21  169.987  8306.53  282.003  7960.47  213.042   92.383   1.5725   90.489   1.2128 1.894142 1.985908 
1 1 1   17   22   11 f  112.906   1.0287 12400.29  225.393 12198.65  313.966 12614.73  323.769  111.962   1.4446  113.851   1.4650 -1.889198 2.057438 
1 1 1   17   22   12 o   67.311   0.7709  4409.01  100.615  4505.26  139.949  4306.04  144.756   68.075   1.0590   66.547   1.1206 1.528595 1.541845 
1 1 1   17   22   13 o   26.264   1.3859  692.685   65.300  725.897   79.631  624.498  114.100   27.290   1.5032   25.239   2.3289 2.051676 2.771885 
1 1 1   17   22   14 o   23.793   1.1985  555.430   55.093  589.273   75.924  517.792   80.067   24.571   1.5918   23.015   1.7921 1.555672 2.397015 
1 1 1   17   22   15 o   22.613   1.2613  496.327   55.069  461.186   73.369  541.669   83.339   21.709   1.7410   23.518   1.8255 -1.808569 2.522657 
1 1 1   17   22   16 o   16.395   1.7116  262.805   54.036  243.163   71.148  289.580   83.066   15.690   2.3360   17.100   2.5024 -1.410254 3.423281 
1 1 1   17   22   17 o   18.140   1.5712  322.771   55.000  299.006   73.095  353.786   83.504   17.387   2.1658   18.894   2.2768 -1.507133 3.142347 
1 1 1   17   22   18 o   26.266   1.1518  684.854   58.204  748.280   79.864  613.005   85.002   27.604   1.4904   24.929   1.7566 2.675734 2.303681 
1 1 1   17   22   19 o   47.610   0.8101  2218.05   74.835  2310.82  106.392  2127.20  105.283   48.602   1.1277   46.619   1.1634 1.982750 1.620248 
1 1 1   17   22   20 o   12.259   2.2122  154.038   56.476   75.344   75.730  252.641   84.770   9.0815   3.3097   15.436   2.9363 -6.354867 4.424448 
1 1 1   17   22   21 o   46.569   0.8370  2130.28   75.632  2222.49  107.884  2041.16  106.058   47.567   1.1684   45.571   1.1989 1.996078 1.674077 
1 1 1   17   22   22 o   26.907   1.3539  726.314   68.163  742.041  112.806  717.269   85.547   27.006   2.1519   26.809   1.6438 0.1961174 2.707886 
1 1 1   17   23    0 o   85.467   0.7777  7091.15  128.885  7005.58  177.719  7186.07  187.191   84.925   1.0780   86.009   1.1212 -1.084221 1.555387 
1 1 1   17   23    1 o   59.212   0.6380  3405.03   73.273  3409.71  101.699  3399.97  105.663   59.255   0.8842   59.169   0.9200 0.8602905E-01 1.275945 
1 1 1   17   23    2 o   75.773   0.7307  5571.62  107.391  5451.26  148.335  5704.19  155.679   74.915   1.0200   76.632   1.0465 -1.716766 1.461403 
1 1 1   17   23    3 o   98.372   0.8698  9402.46  166.069  9375.08  232.879  9430.80  236.886   98.227   1.2213   98.517   1.2387 -0.2899170 1.739551 
1 1 1   17   23    4 o   51.557   0.6692  2578.63   66.746  2546.04   90.446  2617.60   98.906   51.201   0.9100   51.912   0.9815 -0.7118340 1.338450 
1 1 1   17   23    5 o  101.056   0.8694  9924.79  170.537  9970.51  240.624  9878.65  241.732  101.291   1.2238  100.822   1.2351 0.4688873 1.738732 
1 1 1   17   23    6 o   63.508   0.6935  3915.56   85.302  3880.74  116.546  3955.73  125.187   63.206   0.9499   63.810   1.0107 -0.6042671 1.386981 
1 1 1   17   23    7 o   99.899   0.8721  9700.69  169.096  9774.88  238.046  9625.11  240.245  100.286   1.2228   99.512   1.2437 0.7736359 1.744138 
1 1 1   17   23    8 o   9.3850   1.9811   47.804   50.757 -64.8189   69.536  176.239   74.257   5.6128   2.6148   13.157   2.9770 -7.544431 3.962295 
1 1 1   17   23    9 o   49.893   0.8144  2411.03   76.927  2458.26  123.826  2381.35   98.170   50.281   1.2687   49.504   1.0216 0.7771034 1.628837 
1 1 1   17   23   10 o   47.910   0.7600  2234.89   70.487  2293.95   96.941  2168.64  102.674   48.585   1.0279   47.234   1.1198 1.351147 1.520017 
1 1 1   17   23   11 f   56.018   0.7444  3054.37   80.627  3101.48  109.763  2999.15  118.823   56.491   1.0009   55.544   1.1020 0.9474678 1.488752 
1 1 1   17   23   12 o   80.011   1.0034  6198.13  144.462  6140.48  173.848  6326.73  259.676   79.460   1.1271   80.561   1.6605 -1.101471 2.006885 
1 1 1   17   23   13 o   10.377   2.2741  106.305   50.776  119.461   71.355   92.809   72.270   10.878   3.1791   9.8759   3.2525 1.002436 4.548179 
1 1 1   17   23   14 o   32.145   1.1648  1016.38   66.689  1027.40   80.031  991.317  120.632   32.473   1.2696   31.816   1.9532 0.6577072 2.329589 
1 1 1   17   23   15 o   22.531   1.3148  496.177   57.217  430.542   78.737  569.619   83.288   20.948   1.9363   24.115   1.7792 -3.167191 2.629650 
1 1 1   17   23   16 o   20.621   1.3660  421.351   54.222  465.186   74.941  373.194   78.548   21.776   1.7729   19.466   2.0787 2.310318 2.732073 
1 1 1   17   23   17 o   53.138   0.7392  2753.95   76.227  2842.81  108.245  2666.53  107.361   53.991   1.0328   52.285   1.0578 1.706821 1.478396 
1 1 1   17   23   18 o   28.192   1.0159  779.182   55.543  826.067   80.272  736.116   76.933   29.007   1.4256   27.378   1.4476 1.629662 2.031731 
1 1 1   17   23   19 o   44.828   0.7819  1965.87   67.919  1959.67   98.937  1971.41   93.405   44.751   1.1389   44.906   1.0715 -0.1548157 1.563744 
1 1 1   17   23   20 o   9.5195   2.4134   84.497   57.840  112.987   80.803   54.560   82.830   10.415   3.4397   8.6240   3.3863 1.791016 4.826863 
1 1 1   17   23   21 o   14.697   2.2689  236.201   62.904  248.292   90.504  224.901   87.493   15.077   3.1919   14.317   3.2255 0.7593937 4.537801 
1 1 1   17   23   22 o   21.054   1.9310  460.467   77.834  436.240  101.036  495.832  122.072   20.487   2.5406   21.620   2.9086 -1.133379 3.861953 
1 1 1   17   24    0 o  153.993   1.1866 23082.40  353.915 23385.27  486.223 22741.12  516.138  155.079   1.6152  152.906   1.7389 2.173141 2.373298 
1 1 1   17   24    1 o   45.065   0.7355  1940.00   61.619  1864.10   76.112  2084.37  104.969   43.812   0.8949   46.319   1.1675 -2.506893 1.471019 
1 1 1   17   24    2 o   83.790   0.7690  6824.65  124.964  6944.55  174.062  6697.13  179.514   84.552   1.0605   83.028   1.1138 1.523422 1.537934 
1 1 1   17   24    3 o   71.346   0.7208  4946.21   99.798  5058.51  140.479  4831.78  141.801   72.165   1.0028   70.527   1.0358 1.637634 1.441677 
1 1 1   17   24    4 o   13.394   1.8108  190.020   45.215  276.097   62.651   96.456   65.319   16.841   1.9165   9.9465   3.0729 6.894177 3.621567 
1 1 1   17   24    5 o   43.588   0.6931  1842.19   58.573  1718.23   81.062  1977.61   84.728   42.056   0.9929   45.120   0.9674 -3.063896 1.386267 
1 1 1   17   24    6 o   34.450   0.8054  1151.23   53.805  1083.39   74.442  1225.44   77.857   33.389   1.1485   35.512   1.1294 -2.122231 1.610831 
1 1 1   17   24    7 o   55.881   0.7124  3026.70   77.161  2909.94  105.617  3160.35  113.000   54.729   0.9941   57.034   1.0207 -2.304806 1.424808 
1 1 1   17   24    8 o   32.709   0.8849  1036.99   55.835  1012.66   74.501  1068.17   84.336   32.275   1.1891   33.142   1.3109 -0.8672218 1.769878 
1 1 1   17   24    9 o   63.863   0.7308  3964.00   90.325  3972.35  123.159  3954.28  132.872   63.939   0.9923   63.788   1.0731 0.1515427 1.461540 
1 1 1   17   24   10 o   53.034   0.7078  2726.71   72.677  2648.17   98.691  2819.77  107.425   52.204   0.9739   53.865   1.0274 -1.661221 1.415623 
1 1 1   17   24   11 o   70.917   0.9339  4857.65  120.142  4794.63  145.467  4992.86  213.090   70.229   1.0670   71.605   1.5330 -1.376511 1.867834 
1 1 1   17   24   12 o   53.739   0.7235  2808.11   75.478  2808.83  106.596  2807.38  106.888   53.746   1.0217   53.732   1.0248 0.1422501E-01 1.447093 
1 1 1   17   24   13 o   68.587   0.7642  4581.57  101.639  4715.17  141.978  4441.13  145.567   69.618   1.0506   67.555   1.1100 2.062561 1.528375 
1 1 1   17   24   14 o   8.9510   2.3722   61.298   55.509   64.214   74.497   57.657   83.232   8.9143   3.2774   8.9878   3.4303 -0.7350636E-01 4.744301 
1 1 1   17   24   15 o   61.378   0.7451  3670.32   88.738  3728.11  124.264  3610.18  126.763   61.875   1.0346   60.881   1.0726 0.9940224 1.490265 
1 1 1   17   24   16 o   25.416   1.1092  631.063   54.642  584.844   75.380  682.243   79.321   24.435   1.5892   26.398   1.5480 -1.962538 2.218498 
1 1 1   17   24   17 o   7.1990   2.1402   5.9025   51.924 -24.9937   73.346   36.945   73.519   6.4478   2.8780   7.9501   3.1684 -1.502264 4.280415 
1 1 1   17   24   18 o   18.287   1.5062  336.380   52.960  294.350   76.582  374.904   73.319   17.142   2.3015   19.433   1.9437 -2.290718 3.012403 
1 1 1   17   24   19 o   29.556   1.0172  858.867   58.085  974.620   83.730  751.481   80.646   31.493   1.3696   27.619   1.5042 3.874138 2.034332 
1 1 1   17   24   20 o   31.399   0.9658  971.082   58.731  976.524   86.125  966.352   80.297   31.466   1.4100   31.332   1.3202 0.1334991 1.931621 
1 1 1   17   24   21 o   11.669   2.4448  150.880   59.159  151.652   87.998  150.243   79.913   11.683   3.5592   11.654   3.3525 0.2957344E-01 4.889527 
1 1 1   17   24   22 o   13.853   2.8346  224.831   80.962  182.955  108.785  276.825  121.217   12.481   3.9813   15.225   4.0361 -2.744453 5.669294 
1 1 1   17   25    0 o   57.741   0.6592  3237.38   73.846  3219.14  102.491  3257.07  106.491   57.573   0.9171   57.910   0.9473 -0.3369904 1.318494 
1 1 1   17   25    1 o   77.442   0.7339  5820.02  110.144  5732.45  150.979  5919.64  161.040   76.822   1.0124   78.063   1.0627 -1.241104 1.467795 
1 1 1   17   25    2 o  110.305   0.9712 11826.92  207.734 11830.71  287.210 11822.77  300.823  110.328   1.3411  110.283   1.4052 0.4457092E-01 1.942432 
1 1 1   17   25    3 o  192.807   1.3814 36201.04  514.921 36271.86  697.845 36116.41  762.914  193.042   1.8623  192.573   2.0409 0.4689178 2.762825 
1 1 1   17   25    4 o   92.923   0.8163  8384.32  147.178  8181.24  204.399  8602.98  212.095   91.756   1.1476   94.090   1.1612 -2.333954 1.632599 
1 1 1   17   25    5 o   34.623   0.8012  1163.97   53.579  1013.06   74.321  1327.29   77.313   32.286   1.1859   36.960   1.0776 -4.673775 1.602338 
1 1 1   17   25    6 o  104.959   0.9321 10709.42  189.904 10781.94  269.347 10637.73  267.788  105.313   1.3175  104.606   1.3188 0.7068176 1.864161 
1 1 1   17   25    7 o   14.424   1.7517  203.987   47.566  168.123   63.810  248.838   71.359   12.881   2.6406   15.966   2.3024 -3.084777 3.503381 
1 1 1   17   25    8 o   41.636   0.7616  1690.13   61.298  1758.33   84.053  1612.66   89.588   42.538   1.0179   40.733   1.1330 1.805885 1.523118 
1 1 1   17   25    9 o   26.572   1.0665  691.789   54.409  723.415   72.802  651.776   81.889   27.271   1.3753   25.874   1.6304 1.397093 2.133004 
1 1 1   17   25   10 o   17.278   1.8396  279.244   58.087  256.128   69.872  330.962  104.513   16.193   2.2229   18.364   2.9319 -2.170923 3.679266 
1 1 1   17   25   11 o   58.411   0.7511  3318.91   84.911  3339.92  115.914  3294.58  124.734   58.614   1.0187   58.207   1.1039 0.4072037 1.502168 
1 1 1   17   25   12 o   22.984   1.2058  518.595   53.473  464.698   76.873  569.123   74.432   21.811   1.8156   24.156   1.5873 -2.344683 2.411652 
1 1 1   17   25   13 o   56.016   0.7568  3044.45   81.996  2954.60  110.663  3153.82  122.100   55.107   1.0345   56.925   1.1050 -1.817818 1.513648 
1 1 1   17   25   14 o   47.755   0.7810  2221.01   72.153  2222.52   98.072  2219.23  106.531   47.779   1.0574   47.731   1.1498 0.4864883E-01 1.562076 
1 1 1   17   25   15 f   30.610   0.9581  914.776   56.926  918.365   80.768  911.234   80.246   30.669   1.3567   30.550   1.3531 0.1188374 1.916120 
1 1 1   17   25   16 o   33.767   0.9124  1114.17   59.701  1116.22   82.071  1111.86   87.004   33.807   1.2506   33.727   1.3289 0.7955551E-01 1.824820 
1 1 1   17   25   17 o   26.045   1.1283  660.883   56.696  614.204   75.272  722.090   86.194   25.001   1.5510   27.089   1.6392 -2.087555 2.256640 
1 1 1   17   25   18 o   20.950   1.3715  436.759   55.578  446.692   76.036  425.365   81.441   21.229   1.8451   20.671   2.0297 0.5580597 2.742996 
1 1 1   17   25   19 o   30.048   1.0480  890.461   61.074  903.661   84.974  876.356   87.839   30.290   1.4452   29.807   1.5181 0.4835949 2.096009 
1 1 1   17   25   20 o   12.080   2.4256  160.816   59.764  144.644   85.460  176.294   83.607   11.504   3.5082   12.655   3.3506 -1.151144 4.851168 
1 1 1   17   25   21 o   17.477   1.7555  314.203   59.278  318.913   88.393  310.353   79.912   17.549   2.5947   17.405   2.3653 0.1446266 3.511024 
1 1 1   17   25   22 o   11.139   2.8647  137.008   80.015  127.901  109.283  147.532  117.477   10.847   3.9724   11.431   4.1288 -0.5835524 5.729480 
1 1 1   17   26    0 o   49.250   0.6460  2356.55   61.674  2371.00   85.126  2340.59   89.478   49.410   0.8875   49.090   0.9390 0.3196487 1.292047 
1 1 1   17   26    1 o   30.198   0.7550  886.628   44.037  1004.15   63.103  775.056   61.484   32.152   1.0111   28.244   1.1214 3.907486 1.509905 
1 1 1   17   26    2 o   65.253   0.6760  4134.42   85.462  4113.18  117.109  4158.62  125.001   65.075   0.9271   65.431   0.9842 -0.3554764 1.352041 
1 1 1   17   26    3 o   56.115   0.6928  3054.98   75.411  2960.02  104.207  3159.39  109.267   55.201   0.9725   57.029   0.9870 -1.827934 1.385632 
1 1 1   17   26    4 o   65.411   0.7025  4152.85   89.157  4341.47  128.139  3975.85  124.130   66.850   0.9874   63.973   0.9996 2.877491 1.405062 
1 1 1   17   26    5 o   93.526   0.8336  8501.58  151.324  8561.21  212.759  8440.52  215.270   93.859   1.1677   93.193   1.1900 0.6661606 1.667226 
1 1 1   17   26    6 o   54.441   0.6991  2874.47   73.719  2806.80  100.549  2953.14  108.404   53.750   0.9637   55.131   1.0129 -1.380642 1.398109 
1 1 1   17   26    7 o   64.941   0.7220  4098.27   91.007  4113.77  127.970  4082.42  129.449   65.065   1.0132   64.816   1.0288 0.2495346 1.443984 
1 1 1   17   26    8 o   57.450   0.7073  3205.83   78.847  3166.95  109.682  3247.41  113.427   57.090   0.9897   57.810   1.0108 -0.7193184 1.414622 
1 1 1   17   26    9 f   33.006   1.0630  1013.92   62.170  952.529   73.122  1174.06  118.095   31.299   1.2035   34.714   1.7525 -3.414564 2.125994 
1 1 1   17   26   10 o   58.407   0.7320  3309.55   82.834  3218.76  113.085  3414.66  121.678   57.546   1.0123   59.268   1.0576 -1.721443 1.464020 
1 1 1   17   26   11 o   95.136   0.8967  8807.49  165.558  8755.04  231.232  8862.67  237.150   94.848   1.2559   95.424   1.2803 -0.5761795 1.793428 
1 1 1   17   26   12 o   38.643   0.8218  1453.12   61.302  1450.59   82.454  1456.23   91.665   38.611   1.1001   38.674   1.2210 -0.6368256E-01 1.643501 
1 1 1   17   26   13 o   44.235   0.9702  1875.40   77.310  1823.10   92.729  1994.62  140.007   43.276   1.1038   45.193   1.5959 -1.917362 1.940467 
1 1 1   17   26   14 o   67.398   0.7512  4421.68   98.255  4327.81  137.239  4520.39  140.733   66.665   1.0605   68.131   1.0641 -1.466339 1.502335 
1 1 1   17   26   15 o   42.539   0.8041  1764.92   66.303  1779.59   91.561  1748.74   96.140   42.730   1.1039   42.348   1.1695 0.3827324 1.608189 
1 1 1   17   26   16 o   34.350   0.9022  1155.78   59.731  1173.86   80.212  1133.28   89.493   34.668   1.1919   34.032   1.3547 0.6355057 1.804382 
1 1 1   17   26   17 o   26.122   1.1440  666.083   57.736  611.420   77.233  735.329   86.927   24.923   1.5964   27.321   1.6390 -2.398624 2.288005 
1 1 1   17   26   18 o   22.838   1.2998  516.997   57.584  542.610   81.861  491.910   81.018   23.408   1.8016   22.269   1.8742 1.138609 2.599666 
1 1 1   17   26   19 o   17.802   1.6556  320.846   57.025  328.656   78.209  311.982   83.327   18.066   2.2301   17.538   2.4477 0.5289040 3.311228 
1 1 1   17   26   20 o   30.725   1.0971  935.802   65.418  907.377   92.087  964.762   92.949   30.247   1.5684   31.203   1.5345 -0.9560318 2.194226 
1 1 1   17   26   21 f   31.531   1.0777  987.033   65.745  1100.46   94.853  882.151   91.209   33.299   1.4674   29.762   1.5787 3.536968 2.155391 
1 1 1   17   26   22 o   31.744   1.4962  1033.77   91.845  1132.02  129.866  935.453  129.910   33.339   2.0067   30.149   2.2198 3.190500 2.992341 
1 1 1   17   27    0 o   45.451   0.6301  2009.29   55.489  2067.60   76.903  1945.96   80.143   46.141   0.8586   44.761   0.9224 1.379913 1.260145 
1 1 1   17   27    1 o   40.684   0.6795  1606.63   53.625  1579.54   74.193  1636.27   77.597   40.326   0.9478   41.042   0.9740 -0.7168846 1.359021 
1 1 1   17   27    2 o   45.232   0.6683  1976.51   58.482  1861.68   78.821  2117.14   87.230   43.779   0.9275   46.685   0.9626 -2.905712 1.336695 
1 1 1   17   27    3 o  149.058   1.1327 21615.42  327.724 21468.01  461.198 21765.78  465.778  148.545   1.5994  149.571   1.6042 -1.025589 2.265331 
1 1 1   17   27    4 o  138.133   1.0818 18552.93  290.027 18240.89  405.171 18880.83  415.338  136.943   1.5242  139.323   1.5357 -2.379196 2.163688 
1 1 1   17   27    5 o   73.166   0.7548  5201.76  107.177  5202.94  149.794  5200.52  153.414   73.176   1.0545   73.157   1.0803 0.1899719E-01 1.509663 
1 1 1   17   27    6 o   25.202   1.0114  617.608   49.338  614.293   67.208  621.481   72.658   25.131   1.3777   25.273   1.4810 -0.1424198 2.022724 
1 1 1   17   27    7 o   69.718   0.7413  4725.96  100.054  4759.54  136.830  4687.35  146.679   69.987   1.0072   69.448   1.0880 0.5393524 1.482629 
1 1 1   17   27    8 o   57.512   0.8356  3158.30   88.182  3046.37  107.412  3389.69  154.443   55.991   0.9883   59.033   1.3478 -3.041252 1.671253 
1 1 1   17   27    9 o   11.423   2.2195  132.389   51.588  162.479   71.932  100.521   74.026   12.616   2.9840   10.229   3.2865 2.386464 4.439052 
1 1 1   17   27   10 o   55.055   0.7514  2939.24   80.108  2843.31  108.850  3052.60  118.321   54.080   1.0369   56.030   1.0879 -1.950390 1.502850 
1 1 1   17   27   11 o   18.232   1.4506  330.956   50.261  290.508   76.407  361.807   66.731   17.215   2.2865   19.249   1.7859 -2.033869 2.901297 
1 1 1   17   27   12 o   60.036   0.7649  3507.85   89.123  3528.91  124.887  3486.00  127.225   60.222   1.0683   59.851   1.0951 0.3710709 1.529843 
1 1 1   17   27   13 o   74.636   0.7877  5423.19  114.106  5519.29  162.783  5330.37  159.993   75.286   1.1139   73.986   1.1140 1.299736 1.575332 
1 1 1   17   27   14 o   41.118   0.8065  1650.12   64.250  1757.61   90.570  1541.22   91.159   42.474   1.0985   39.762   1.1810 2.712044 1.612926 
1 1 1   17   27   15 o   50.611   0.7713  2494.40   75.676  2447.67  104.002  2546.97  110.321   50.112   1.0691   51.110   1.1120 -0.9975700 1.542572 
1 1 1   17   27   16 f   29.917   1.0183  877.670   59.099  884.141   82.272  870.771   84.948   30.037   1.4110   29.797   1.4686 0.2398663 2.036642 
1 1 1   17   27   17 o   12.210   2.2106  156.405   53.317  117.628   72.545  201.955   78.625   10.610   3.2315   13.810   3.0173 -3.200310 4.421130 
1 1 1   17   27   18 o   21.860   1.3115  474.360   55.625  480.682   77.806  467.750   79.555   22.018   1.8204   21.702   1.8884 0.3156319 2.622987 
1 1 1   17   27   19 o   24.628   1.2429  603.080   59.413  593.423   83.456  613.004   84.600   24.427   1.7600   24.828   1.7553 -0.4013386 2.485749 
1 1 1   17   27   20 o   15.534   2.1138  259.586   61.377  276.888   89.185  244.019   84.597   16.045   2.9729   15.024   3.0056 1.020542 4.227552 
1 1 1   17   27   21 o   17.375   2.2539  374.090   69.506  183.268  109.667  502.207   89.859   12.532   3.9974   22.218   2.0835 -9.685270 4.507818 
1 1 1   17   28    0 o   37.046   0.6930  1337.48   49.673  1412.45   68.868  1256.18   71.715   38.133   0.9304   35.959   1.0274 2.174320 1.386055 
1 1 1   17   28    1 o   77.932   0.7488  5902.17  113.215  5938.70  157.611  5863.22  162.731   78.183   1.0385   77.681   1.0792 0.5015030 1.497699 
1 1 1   17   28    2 o   48.697   0.6507  2297.94   61.373  2226.49   83.548  2381.70   90.452   47.877   0.8990   49.516   0.9410 -1.638828 1.301420 
1 1 1   17   28    3 o   27.680   0.9026  743.982   48.444  729.049   66.676  760.680   70.505   27.387   1.2542   27.973   1.2984 -0.5863419 1.805218 
1 1 1   17   28    4 o   47.173   0.6803  2158.36   62.240  2039.10   86.230  2288.06   89.927   45.814   0.9696   48.531   0.9546 -2.716999 1.360622 
1 1 1   17   28    5 o   27.532   0.9212  740.129   49.028  786.993   67.840  688.891   70.935   28.451   1.2283   26.614   1.3731 1.837872 1.842318 
1 1 1   17   28    6 o   55.759   0.6979  3021.42   75.523  3046.47  105.804  2995.40  107.835   55.995   0.9734   55.522   1.0005 0.4729424 1.395897 
1 1 1   17   28    7 o   66.745   0.8792  4392.79  108.558  4544.69  135.769  4123.55  180.761   68.387   1.0227   65.104   1.4303 3.283119 1.758359 
1 1 1   17   28    8 o   37.068   0.8286  1339.42   59.468  1423.14   83.081  1251.47   85.157   38.262   1.1186   35.874   1.2229 2.387390 1.657297 
1 1 1   17   28    9 o   17.512   1.5467  301.992   51.291  221.882   71.096  388.937   74.067   15.057   2.4325   19.967   1.9110 -4.909749 3.093351 
1 1 1   17   28   10 o   21.459   1.3137  450.231   54.632  463.430   75.837  435.993   78.768   21.791   1.7929   21.127   1.9206 0.6634731 2.627372 
1 1 1   17   28   11 f   30.972   0.9586  930.868   57.371  897.753   77.010  972.170   86.004   30.359   1.3067   31.584   1.4028 -1.224722 1.917113 
1 1 1   17   28   12 o   19.013   1.4332  351.501   52.583  330.132   69.917  379.327   79.782   18.359   1.9619   19.667   2.0898 -1.308361 2.866377 
1 1 1   17   28   13 o   36.247   0.8445  1274.47   59.190  1217.57   79.606  1344.81   88.515   35.350   1.1601   37.143   1.2277 -1.792580 1.689066 
1 1 1   17   28   14 o   33.799   0.8963  1111.99   58.539  1087.66   78.735  1142.07   87.535   33.394   1.2146   34.204   1.3184 -0.8102570 1.792573 
1 1 1   17   28   15 o   8.8361   2.2096   62.684   52.494  113.062   68.105 -11.0510   82.395   10.494   3.1166   7.1785   3.1330 3.315194 4.419174 
1 1 1   17   28   16 o   12.418   2.1278  163.530   51.770  210.737   73.072  115.956   73.356   14.242   2.7427   10.594   3.2538 3.647441 4.255506 
1 1 1   17   28   17 o   14.632   1.9194  217.359   52.505  311.240   79.395  144.387   69.997   17.614   2.3221   11.650   3.0569 5.963984 3.838880 
1 1 1   17   28   18 o   28.678   1.0172  807.959   56.543  843.428   82.765  776.917   77.429   29.262   1.4571   28.095   1.4198 1.167055 2.034396 
1 1 1   17   28   19 o   26.053   1.1305  671.023   57.088  710.525   83.512  636.370   78.219   26.768   1.6072   25.338   1.5903 1.429667 2.260980 
1 1 1   17   28   20 o   33.717   0.9711  1126.31   62.986  1102.41   95.079  1145.01   84.083   33.354   1.4685   34.080   1.2710 -0.7262878 1.942120 
1 1 1   17   28   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29    0 o   73.109   0.7297  5190.48  103.525  5358.11  148.079  5030.22  144.790   74.263   1.0272   71.954   1.0366 2.308762 1.459352 
1 1 1   17   29    1 o  102.638   0.9214 10239.28  183.537  9957.75  257.971 10527.86  261.181  101.209   1.3131  104.068   1.2929 -2.859428 1.842743 
1 1 1   17   29    2 o   42.164   0.6730  1727.66   55.037  1744.89   76.520  1709.19   79.217   42.383   0.9301   41.946   0.9729 0.4374809 1.345944 
1 1 1   17   29    3 o   48.006   0.6721  2233.20   62.493  2159.39   85.076  2319.70   92.099   47.148   0.9296   48.865   0.9709 -1.716827 1.344182 
1 1 1   17   29    4 o   97.792   0.8735  9296.06  165.789  9521.30  236.037  9076.73  232.916   98.962   1.2287   96.622   1.2418 2.339691 1.746951 
1 1 1   17   29    5 o   27.102   0.9373  715.620   49.125  791.403   69.783  641.168   69.168   28.530   1.2601   25.674   1.3878 2.855175 1.874521 
1 1 1   17   29    6 f   44.542   0.7109  1935.69   61.139  2020.15   83.429  1837.71   89.856   45.599   0.9425   43.485   1.0645 2.113728 1.421787 
1 1 1   17   29    7 o   40.676   0.7340  1600.14   57.643  1537.06   77.004  1680.54   86.937   39.771   0.9974   41.581   1.0771 -1.810574 1.467975 
1 1 1   17   29    8 o   20.990   1.3377  425.679   53.838  340.299   72.694  529.405   80.125   18.674   2.0054   23.306   1.7711 -4.631512 2.675487 
1 1 1   17   29    9 o   9.0583   2.2328   60.361   52.489  119.641   74.641   2.3663   73.828   10.942   3.2656   7.1744   3.0458 3.767765 4.465583 
1 1 1   17   29   10 o   30.204   0.9540  888.492   55.805  889.549   81.760  887.570   76.357   30.217   1.3939   30.191   1.3029 0.2649117E-01 1.907998 
1 1 1   17   29   11 o   30.220   1.0071  885.826   58.911  830.647   79.722  952.202   87.438   29.191   1.4069   31.250   1.4414 -2.059568 2.014220 
1 1 1   17   29   12 o   89.057   0.8628  7724.57  149.124  7578.44  208.212  7878.48  213.682   88.194   1.2162   89.920   1.2242 -1.726639 1.725611 
1 1 1   17   29   13 o   69.404   0.7753  4693.54  104.420  4830.95  147.684  4556.18  147.660   70.424   1.0803   68.384   1.1124 2.039467 1.550617 
1 1 1   17   29   14 o   38.482   0.8511  1439.41   63.423  1372.72   86.067  1518.65   93.820   37.514   1.1819   39.450   1.2251 -1.936348 1.702291 
1 1 1   17   29   15 o   28.392   0.9909  789.438   54.600  812.196   77.624  767.153   76.815   28.800   1.3885   27.985   1.4140 0.8145618 1.981748 
1 1 1   17   29   16 o   19.230   1.4340  373.443   52.541  305.153   76.369  434.816   72.398   17.482   2.2504   20.978   1.7778 -3.496691 2.867945 
1 1 1   17   29   17 o   41.778   0.7892  1706.99   63.972  1718.21   91.977  1696.46   89.034   41.907   1.1307   41.649   1.1012 0.2575684 1.578319 
1 1 1   17   29   18 o   36.667   0.8864  1321.32   63.029  1347.48   87.761  1293.45   90.578   37.053   1.2201   36.281   1.2861 0.7727661 1.772804 
1 1 1   17   29   19 o   14.735   2.1520  233.501   59.486  266.358   87.028  204.688   81.496   15.766   2.9521   13.704   3.1320 2.062405 4.303936 
1 1 1   17   29   20 o   9.2482   2.2707   54.674   57.270  166.620   87.887 -27.9409   75.501   12.154   3.5215   6.3422   2.8678 5.812123 4.541464 
1 1 1   17   29   21 o   7.8953   2.5202 -22.2148   81.935  -9.9947  119.268 -33.1364  112.753   8.1727   3.6574   7.6179   3.4682 0.5547972 5.040324 
1 1 1   17   30    0 o   29.297   0.7914  834.637   44.948  846.796   62.236  821.379   64.985   29.521   1.0860   29.073   1.1515 0.4483948 1.582842 
1 1 1   17   30    1 o   63.127   0.6896  3872.92   84.451  3921.38  117.818  3821.72  121.114   63.535   0.9553   62.720   0.9948 0.8148041 1.379185 
1 1 1   17   30    2 o   40.486   0.7236  1586.25   56.752  1483.33   77.408  1705.87   83.451   39.072   1.0206   41.900   1.0260 -2.828304 1.447176 
1 1 1   17   30    3 o  127.219   1.2053 15740.70  287.797 15834.66  472.234 15685.18  362.998  127.468   1.9085  126.970   1.4728 0.4985809 2.410693 
1 1 1   17   30    4 o   39.316   0.7320  1496.06   55.367  1458.71   73.150  1546.16   84.719   38.747   0.9726   39.886   1.0942 -1.138844 1.463947 
1 1 1   17   30    5 o   26.988   1.1009  715.927   56.670  667.088   87.012  751.906   74.681   26.173   1.7126   27.803   1.3837 -1.630060 2.201757 
1 1 1   17   30    6 o   72.544   0.7481  5115.18  105.340  5218.00  149.081  5012.65  148.866   73.273   1.0481   71.815   1.0679 1.458076 1.496293 
1 1 1   17   30    7 o   19.058   1.3971  354.816   50.883  277.177   70.188  440.817   73.871   16.848   2.1461   21.267   1.7894 -4.418587 2.794189 
1 1 1   17   30    8 o   50.190   0.7091  2450.25   69.001  2485.42   95.640  2412.07   99.647   50.568   0.9743   49.812   1.0305 0.7559166 1.418203 
1 1 1   17   30    9 o   63.957   0.7197  3978.99   89.209  4002.71  122.961  3952.64  129.624   64.162   0.9872   63.753   1.0474 0.4095306 1.439353 
1 1 1   17   30   10 o   30.189   0.9501  888.755   55.563  902.169   76.516  873.790   80.817   30.434   1.2952   29.944   1.3904 0.4905052 1.900159 
1 1 1   17   30   11 o   75.395   0.7823  5534.98  114.448  5721.14  161.819  5348.67  161.888   76.667   1.0873   74.122   1.1251 2.545120 1.564663 
1 1 1   17   30   12 o   55.149   0.7322  2962.44   78.311  2997.85  108.740  2924.27  112.873   55.495   1.0094   54.802   1.0610 0.6936111 1.464475 
1 1 1   17   30   13 o   38.787   0.8170  1466.48   61.055  1465.73   81.511  1467.44   92.156   38.786   1.0826   38.788   1.2239 -0.2002716E-02 1.634041 
1 1 1   17   30   14 o   47.519   0.7395  2200.43   68.031  2192.03   92.785  2210.20  100.045   47.428   1.0078   47.609   1.0825 -0.1815262 1.479030 
1 1 1   17   30   15 o   18.908   1.3905  353.752   51.031  348.601   72.112  358.919   72.226   18.767   1.9794   19.048   1.9533 -0.2805367 2.780960 
1 1 1   17   30   16 o   8.0128   2.2494   40.271   52.302   47.743   73.634   32.663   74.303   8.2164   3.2023   7.8092   3.1597 0.4071417 4.498714 
1 1 1   17   30   17 o   26.693   1.1463  703.165   59.379  723.424   85.195  684.027   82.806   27.067   1.6215   26.319   1.6208 0.7471371 2.292623 
1 1 1   17   30   18 o   8.9511   2.3480   66.926   56.290  103.792   78.501   27.908   80.759   10.056   3.3917   7.8463   3.2477 2.209552 4.695930 
1 1 1   17   30   19 o   23.279   1.3604  544.373   61.419  562.042   86.145  526.105   87.591   23.683   1.8738   22.874   1.9726 0.8085213 2.720764 
1 1 1   17   30   20 f   7.8310   2.3860   7.9811   68.229 -71.8556  114.326   52.146   85.031   7.1960   3.3526   8.4659   3.3960 -1.269917 4.772052 
1 1 1   17   31    0 o   48.408   0.6613  2271.75   61.990  2213.57   84.294  2340.28   91.480   47.736   0.9097   49.080   0.9602 -1.344719 1.322670 
1 1 1   17   31    1 o   76.075   0.7627  5622.99  112.569  5584.03  156.319  5664.95  162.240   75.803   1.0623   76.347   1.0947 -0.5443344 1.525431 
1 1 1   17   31    2 o   41.495   0.7990  1669.83   63.503  1696.47   98.490  1650.86   83.078   41.773   1.2146   41.217   1.0384 0.5560799 1.597952 
1 1 1   17   31    3 o   32.965   0.8113  1051.77   51.807  977.570   70.661  1138.01   76.183   31.713   1.1478   34.217   1.1470 -2.503565 1.622683 
1 1 1   17   31    4 o   11.467   2.0756  132.550   46.222  120.944   61.950  147.125   69.423   10.917   2.8812   12.017   2.9885 -1.100246 4.151238 
1 1 1   17   31    5 o   39.066   0.7505  1489.12   56.595  1549.50   77.067  1418.44   83.379   39.932   0.9942   38.199   1.1244 1.732368 1.500948 
1 1 1   17   31    6 o   29.417   0.9135  838.801   52.044  800.475   70.730  884.053   76.855   28.688   1.2701   30.147   1.3133 -1.458332 1.826998 
1 1 1   17   31    7 o  124.227   1.0343 15024.30  249.422 15005.96  352.594 15042.67  352.878  124.151   1.4631  124.303   1.4624 -0.1519394 2.068635 
1 1 1   17   31    8 o   26.587   1.0423  691.991   53.523  748.721   74.341  630.935   77.123   27.730   1.3811   25.444   1.5615 2.285822 2.084606 
1 1 1   17   31    9 o   63.972   0.7433  3981.22   92.290  4005.77  129.765  3956.08  131.283   64.173   1.0417   63.771   1.0605 0.4018097 1.486554 
1 1 1   17   31   10 o   39.393   0.8024  1506.48   61.277  1415.27   84.264  1608.86   89.271   38.130   1.1384   40.655   1.1312 -2.525116 1.604860 
1 1 1   17   31   11 o   15.899   1.7650  254.556   52.592  212.231   74.295  297.069   74.459   14.415   2.7555   17.384   2.2065 -2.968342 3.530082 
1 1 1   17   31   12 o   28.542   1.0363  802.583   56.825  854.977   76.728  738.932   84.570   29.598   1.3354   27.486   1.5851 2.112621 2.072619 
1 1 1   17   31   13 f   59.027   0.7410  3394.84   84.872  3396.36  118.416  3393.23  121.705   59.043   1.0332   59.010   1.0625 0.3352737E-01 1.481994 
1 1 1   17   31   14 o   36.886   0.8504  1327.39   60.846  1401.46   87.709  1258.68   84.480   37.879   1.1929   35.893   1.2125 1.985161 1.700886 
1 1 1   17   31   15 o   14.198   2.0485  212.989   55.116  167.259   81.103  252.231   75.130   12.532   3.2915   15.864   2.4397 -3.331754 4.097079 
1 1 1   17   31   16 o   15.039   1.9422  233.438   54.922  290.943   79.827  181.750   75.682   17.007   2.4181   13.072   3.0400 3.934479 3.884399 
1 1 1   17   31   17 o   40.634   0.8431  1620.32   66.442  1680.91   93.288  1557.95   94.654   41.416   1.1604   39.851   1.2236 1.564903 1.686294 
1 1 1   17   31   18 o   26.029   1.1575  674.492   58.289  706.718   80.563  639.092   84.439   26.712   1.5537   25.346   1.7162 1.366028 2.315013 
1 1 1   17   31   19 o   20.945   1.5733  455.221   61.869  330.215   87.925  577.820   87.074   17.895   2.5312   23.994   1.8695 -6.099285 3.146688 
1 1 1   17   31   20 o   15.508   2.8742  286.998   87.480  313.625  128.676  264.115  119.287   16.165   4.0958   14.850   4.0335 1.314329 5.748489 
1 1 1   17   32    0 o   33.562   0.7361  1094.87   47.935  1102.51   66.855  1086.78   68.766   33.684   1.0225   33.441   1.0593 0.2427330 1.472287 
1 1 1   17   32    1 o   36.883   0.8139  1321.59   57.699  1327.50   88.074  1317.15   76.368   36.952   1.2279   36.815   1.0686 0.1367226 1.627763 
1 1 1   17   32    2 o   44.172   0.6936  1897.60   59.406  1943.92   82.764  1848.37   85.321   44.730   0.9532   43.615   1.0078 1.115765 1.387134 
1 1 1   17   32    3 o   37.374   0.7301  1357.84   52.768  1362.75   71.674  1352.04   77.974   37.450   0.9859   37.298   1.0770 0.1513672 1.460105 
1 1 1   17   32    4 o   51.283   0.9323  2612.02   82.218  2677.96   96.750  2440.62  155.981   52.498   0.9494   50.067   1.6049 2.431187 1.864692 
1 1 1   17   32    5 o   63.964   0.7020  3975.78   87.157  3949.25  122.363  4003.10  124.173   63.748   0.9888   64.180   0.9967 -0.4325066 1.403980 
1 1 1   17   32    6 o   51.098   0.7170  2536.88   71.067  2682.44  101.592  2397.41   99.450   52.534   0.9962   49.663   1.0316 2.871960 1.434094 
1 1 1   17   32    7 o   59.475   0.7219  3440.37   83.311  3497.24  116.770  3381.41  118.897   59.978   1.0029   58.973   1.0386 1.005085 1.443820 
1 1 1   17   32    8 o   21.562   1.4228  453.819   56.436  451.758   69.438  457.832   96.867   21.517   1.6624   21.608   2.3094 -0.9100151E-01 2.845532 
1 1 1   17   32    9 o   62.420   0.7179  3788.63   86.969  3710.63  121.567  3870.40  124.469   61.762   1.0140   63.078   1.0165 -1.315300 1.435785 
1 1 1   17   32   10 o   14.051   2.0022  203.372   53.102  233.268   71.607  166.841   79.156   15.394   2.3963   12.708   3.2083 2.686187 4.004455 
1 1 1   17   32   11 o   36.190   0.8289  1277.63   58.162  1312.46   81.009  1240.58   83.557   36.704   1.1370   35.676   1.2065 1.027657 1.657854 
1 1 1   17   32   12 o   40.062   0.7990  1567.04   62.021  1624.21   86.152  1505.53   89.356   40.828   1.0870   39.296   1.1714 1.532200 1.598072 
1 1 1   17   32   13 o   12.600   2.1208  167.582   51.752  126.770   74.750  205.154   71.722   11.086   3.2579   14.115   2.7162 -3.028869 4.241693 
1 1 1   17   32   14 o   26.664   1.0871  697.855   55.936  600.988   77.621  802.507   80.680   24.724   1.6173   28.605   1.4530 -3.881346 2.174143 
1 1 1   17   32   15 o   24.671   1.1854  602.650   56.551  548.620   80.565  655.123   79.397   23.556   1.7619   25.786   1.5862 -2.229952 2.370731 
1 1 1   17   32   16 o   12.415   2.2492  163.992   57.243  236.348   81.777   94.479   80.154   14.979   2.9174   9.8517   3.4242 5.127011 4.498454 
1 1 1   17   32   17 o   16.200   1.8845  279.556   55.559  185.378   78.501  374.077   78.644   13.093   3.1309   19.306   2.0984 -6.213043 3.769088 
1 1 1   17   32   18 o   10.640   2.1927  118.568   55.446   23.825   82.340  197.169   74.998   7.7648   3.2520   13.516   2.9420 -5.750968 4.385322 
1 1 1   17   32   19 o   18.294   1.8273  365.177   59.758  253.673   87.939  460.839   81.453   15.221   3.0821   21.367   1.9638 -6.146708 3.654530 
1 1 1   17   32   20 o   8.3820   2.6129 -33.1457   87.285   87.279  130.316 -131.1313  117.549   10.177   4.1594   6.5874   3.1636 3.589358 5.225816 
1 1 1   17   33    0 o   38.729   0.7830  1460.36   58.520  1433.04   87.176  1482.77   78.953   38.395   1.1696   39.062   1.0412 -0.6667366 1.565951 
1 1 1   17   33    1 o   95.131   0.8871  8800.61  163.792  8913.77  230.752  8685.70  232.532   95.749   1.2415   94.513   1.2674 1.236366 1.774179 
1 1 1   17   33    2 o   85.720   0.8339  7142.73  138.677  7120.88  192.853  7166.13  199.555   85.586   1.1608   85.854   1.1974 -0.2671280 1.667701 
1 1 1   17   33    3 o   78.823   0.7876  6039.50  120.430  6037.12  167.371  6042.06  173.418   78.809   1.0941   78.837   1.1332 -0.2799225E-01 1.575136 
1 1 1   17   33    4 o   51.152   0.6923  2542.50   68.566  2539.18   93.614  2546.35  100.708   51.118   0.9434   51.186   1.0136 -0.6762314E-01 1.384668 
1 1 1   17   33    5 o   55.234   0.7011  2967.52   75.098  3030.47  104.591  2900.53  107.896   55.841   0.9649   54.627   1.0175 1.214252 1.402250 
1 1 1   17   33    6 o   95.246   0.8805  8825.59  162.731  8870.52  233.538  8783.18  226.880   95.479   1.2600   95.014   1.2301 0.4655609 1.760932 
1 1 1   17   33    7 o   75.583   0.7697  5557.04  112.931  5524.35  159.453  5589.94  159.964   75.360   1.0900   75.807   1.0871 -0.4464951 1.539408 
1 1 1   17   33    8 o   58.153   0.7356  3287.26   82.987  3225.25  114.894  3354.90  119.994   57.581   1.0279   58.724   1.0526 -1.142750 1.471268 
1 1 1   17   33    9 o   63.826   0.7404  3963.97   91.714  3953.93  128.456  3974.40  130.987   63.745   1.0381   63.907   1.0559 -0.1619682 1.480727 
1 1 1   17   33   10 o   35.529   0.8289  1229.30   57.105  1220.04   78.817  1239.53   82.850   35.391   1.1473   35.667   1.1967 -0.2759552 1.657777 
1 1 1   17   33   11 o   15.801   1.6786  246.508   51.469  237.734   72.100  255.625   73.497   15.512   2.3945   16.090   2.3532 -0.5779352 3.357209 
1 1 1   17   33   12 o   9.0362   2.3134   69.661   52.298   78.388   74.317   61.099   73.610   9.3325   3.2935   8.7399   3.2495 0.5926218 4.626727 
1 1 1   17   33   13 o   37.045   0.8312  1340.28   59.740  1337.91   85.914  1342.50   83.124   37.009   1.1959   37.080   1.1548 -0.7133484E-01 1.662463 
1 1 1   17   33   14 o   6.5446   2.0694 -43.3046   55.431   13.045   82.210 -90.2797   75.061   7.6509   3.2292   5.4383   2.5888 2.212581 4.138763 
1 1 1   17   33   15 o   26.235   1.1496  679.696   58.385  669.174   85.402  688.929   80.000   26.026   1.6904   26.443   1.5586 -0.4161034 2.299235 
1 1 1   17   33   16 o   22.103   1.3034  488.250   55.435  459.159   82.477  512.220   74.869   21.460   1.9799   22.746   1.6956 -1.286678 2.606755 
1 1 1   17   33   17 o   24.724   1.1873  604.182   56.833  648.503   84.209  567.105   77.020   25.547   1.6981   23.902   1.6600 1.644663 2.374666 
1 1 1   17   33   18 o   20.966   1.4013  440.221   56.873  472.590   84.360  413.252   77.003   21.660   2.0064   20.273   1.9567 1.387339 2.802565 
1 1 1   17   33   19 o   17.747   1.7644  327.935   59.847  320.040   92.187  333.686   78.681   17.452   2.7212   18.041   2.2467 -0.5885696 3.528800 
1 1 1   17   34    0 o   46.123   0.6862  2071.48   61.305  2175.96   85.498  1960.93   87.950   47.324   0.9307   44.921   1.0086 2.403088 1.372391 
1 1 1   17   34    1 o   80.752   0.7894  6341.21  123.653  6417.51  172.375  6260.32  177.480   81.255   1.0929   80.248   1.1393 1.006348 1.578727 
1 1 1   17   34    2 o   63.685   0.7147  3936.71   88.114  3878.56  119.816  4005.19  130.035   63.176   0.9770   64.194   1.0435 -1.017624 1.429500 
1 1 1   17   34    3 o   33.505   0.8129  1092.02   52.828  1106.90   73.589  1076.19   75.885   33.742   1.1235   33.268   1.1751 0.4738731 1.625734 
1 1 1   17   34    4 o   82.799   0.8083  6667.21  129.903  6765.33  183.295  6568.19  184.128   83.412   1.1320   82.185   1.1542 1.227242 1.616644 
1 1 1   17   34    5 o   36.756   0.8043  1317.28   57.225  1413.95   80.333  1217.70   81.538   38.132   1.0853   35.381   1.1872 2.751598 1.608510 
1 1 1   17   34    6 o   40.833   0.7355  1611.07   58.085  1502.23   78.162  1745.31   86.806   39.304   1.0245   42.362   1.0556 -3.058201 1.471018 
1 1 1   17   34    7 o   28.730   0.9264  803.000   51.627  778.658   71.380  829.701   74.762   28.274   1.3005   29.185   1.3196 -0.9105072 1.852784 
1 1 1   17   34    8 o   8.1503   2.1929   44.247   48.631   23.151   67.365   67.207   70.277   7.4000   3.0035   8.9005   3.1961 -1.500463 4.385887 
1 1 1   17   34    9 f   18.823   1.4173  352.155   51.079  395.737   69.927  302.299   74.790   20.108   1.7915   17.538   2.1968 2.570143 2.834675 
1 1 1   17   34   10 o   7.1315   2.1082   6.5594   49.689   33.988   71.278 -19.3733   69.306   7.8504   3.1226   6.4126   2.8334 1.437807 4.216498 
1 1 1   17   34   11 o   59.478   0.7467  3436.67   86.072  3270.69  117.776  3626.93  126.100   57.943   1.0471   61.014   1.0647 -3.070225 1.493312 
1 1 1   17   34   12 o   43.549   0.7518  1847.93   63.530  1907.42   91.121  1791.66   88.621   44.231   1.0613   42.867   1.0650 1.363918 1.503509 
1 1 1   17   34   13 o   13.580   2.1155  193.500   54.208  195.927   78.685  191.307   74.787   13.648   3.0472   13.512   2.9353 0.1358881 4.231005 
1 1 1   17   34   14 o   24.017   1.2429  564.852   57.669  633.282   86.682  510.513   77.244   25.309   1.7644   22.726   1.7509 2.582039 2.485733 
1 1 1   17   34   15 o   25.257   1.1377  620.357   55.376  712.976   84.596  550.917   73.250   26.880   1.6213   23.634   1.5966 3.245703 2.275467 
1 1 1   17   34   16 f   13.605   2.1090  197.263   54.179  223.144   79.012  174.294   74.435   14.485   2.9110   12.725   3.0526 1.760349 4.218035 
1 1 1   17   34   17 o   13.701   2.1130  202.493   56.232  263.390   79.540  141.645   79.508   16.022   2.5575   11.381   3.3644 4.640759 4.226055 
1 1 1   17   34   18 o   17.741   1.8434  329.336   60.512  421.284   88.388  248.224   83.018   20.330   2.2398   15.152   2.9285 5.177942 3.686858 
1 1 1   17   34   19 o   10.903   2.7668  116.701   70.198  183.793  126.441   86.807   84.401   12.432   4.3018   9.3736   3.4807 3.058321 5.533604 
1 1 1   17   35    0 o   41.684   0.6956  1688.83   56.217  1694.20   77.681  1682.93   81.459   41.755   0.9584   41.613   1.0084 0.1417656 1.391188 
1 1 1   17   35    1 o   11.998   2.0640  143.126   46.872  126.764   60.160  168.401   74.770   11.155   2.7864   12.841   3.0457 -1.685702 4.128011 
1 1 1   17   35    2 o   9.5108   2.0188   86.517   43.354  132.136   59.879   36.252   62.854   11.384   2.7422   7.6371   2.9636 3.747334 4.037597 
1 1 1   17   35    3 o   66.555   0.7102  4303.23   91.691  4244.42  126.880  4367.51  132.652   66.081   0.9891   67.030   1.0195 -0.9483948 1.420467 
1 1 1   17   35    4 o   41.801   0.7128  1695.94   57.705  1660.30   78.583  1737.66   85.009   41.327   0.9796   42.275   1.0359 -0.9478645 1.425699 
1 1 1   17   35    5 o   7.7329   2.0599   20.987   47.834   89.422   67.842 -46.6716   67.456   9.6694   3.1497   5.7964   2.6555 3.872995 4.119756 
1 1 1   17   35    6 o   52.533   0.7200  2683.81   73.410  2664.45  102.577  2704.15  105.105   52.339   1.0096   52.726   1.0269 -0.3866043 1.440093 
1 1 1   17   35    7 f   34.647   0.8483  1169.00   56.859  1170.10   77.304  1167.71   83.925   34.670   1.1487   34.625   1.2486 0.4469681E-01 1.696618 
1 1 1   17   35    8 o   35.180   0.8378  1209.67   56.986  1319.97   80.022  1096.18   81.171   36.819   1.1196   33.541   1.2467 3.278721 1.675660 
1 1 1   17   35    9 o   22.720   1.2369  523.497   52.599  625.438   70.804  397.950   78.575   25.309   1.4412   20.131   2.0107 5.177776 2.473888 
1 1 1   17   35   10 o   31.082   0.9491  945.343   56.950  966.044   77.097  920.482   84.489   31.468   1.2621   30.696   1.4179 0.7716255 1.898287 
1 1 1   17   35   11 o   47.272   0.7371  2178.66   67.578  2292.89   95.779  2065.42   95.362   48.511   1.0171   46.033   1.0672 2.478092 1.474236 
1 1 1   17   35   12 f   10.382   2.2435  105.583   51.798  156.738   74.919   58.739   71.693   12.205   3.1432   8.5594   3.2021 3.645581 4.486981 
1 1 1   17   35   13 o   36.506   0.8340  1302.69   59.068  1283.95   82.034  1322.86   85.122   36.236   1.1662   36.775   1.1924 -0.5388069 1.667908 
1 1 1   17   35   14 f   39.033   0.8376  1497.39   63.144  1423.19   92.663  1561.71   86.277   38.106   1.2527   39.959   1.1123 -1.852448 1.675229 
1 1 1   17   35   15 o   51.865   0.7650  2629.03   76.969  2706.06  111.436  2558.75  106.437   52.587   1.0917   51.143   1.0721 1.444008 1.530082 
1 1 1   17   35   16 o   33.800   0.9697  1126.37   63.576  1080.07   90.040  1172.40   89.779   33.095   1.4015   34.504   1.3404 -1.408726 1.939334 
1 1 1   17   35   17 o   11.637   2.3089  146.712   59.363   65.559   84.924  224.252   83.012   8.9135   3.4487   14.360   3.0709 -5.446696 4.617797 
1 1 1   17   35   18 o   19.283   1.7436  391.627   63.620  306.086   91.937  470.225   88.127   17.065   2.7754   21.501   2.1115 -4.435852 3.487277 
1 1 1   17   35   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   36    0 o   52.357   0.7562  2662.29   74.834  2653.80   95.431  2675.86  120.591   52.258   0.9408   52.456   1.1843 -0.1979485 1.512469 
1 1 1   17   36    1 o   60.284   0.6956  3532.41   81.371  3658.34  115.508  3408.36  114.648   61.352   0.9699   59.216   0.9974 2.135532 1.391208 
1 1 1   17   36    2 o   32.467   0.8061  1022.92   50.749  966.514   69.959  1085.56   73.730   31.524   1.1432   33.410   1.1369 -1.885490 1.612278 
1 1 1   17   36    3 f   53.518   0.6992  2787.98   72.539  2876.01  101.112  2694.62  104.127   54.392   0.9576   52.644   1.0189 1.748627 1.398329 
1 1 1   17   36    4 o   38.713   0.7368  1463.23   55.134  1541.95   75.967  1375.61   80.144   39.822   0.9827   37.604   1.0979 2.217720 1.473507 
1 1 1   17   36    5 o   40.710   0.7329  1618.48   57.667  1701.11   79.274  1525.61   84.041   41.823   0.9764   39.597   1.0934 2.225986 1.465899 
1 1 1   17   36    6 o   29.295   0.9264  837.272   52.607  795.946   74.996  877.305   73.813   28.578   1.3519   30.011   1.2670 -1.432516 1.852814 
1 1 1   17   36    7 o   61.514   0.7306  3681.51   87.234  3750.64  124.492  3614.82  122.273   62.081   1.0330   60.947   1.0335 1.134556 1.461275 
1 1 1   17   36    8 o   40.461   0.7933  1594.57   62.304  1602.88   88.515  1586.40   87.713   40.566   1.1241   40.357   1.1196 0.2085571 1.586541 
1 1 1   17   36    9 o   12.821   2.0522  172.725   49.885  143.427   74.562  196.466   67.120   11.771   3.1856   13.871   2.5880 -2.099620 4.104358 
1 1 1   17   36   10 o   64.097   0.7471  4003.33   92.934  4135.96  131.962  3872.83  130.903   65.154   1.0434   63.041   1.0697 2.112774 1.494288 
1 1 1   17   36   11 o   25.338   1.0949  628.699   53.818  655.304   77.708  604.174   74.608   25.852   1.5485   24.823   1.5483 1.029003 2.189778 
1 1 1   17   36   12 o   39.884   0.8301  1553.20   64.216  1592.76   93.146  1517.37   88.651   40.364   1.1888   39.404   1.1590 0.9598885 1.660262 
1 1 1   17   36   13 o   42.647   0.8186  1771.74   67.516  1867.64  100.865  1693.89   90.878   43.679   1.1896   41.616   1.1249 2.062531 1.637277 
1 1 1   17   36   14 o   61.541   0.7711  3700.01   92.050  3794.11  133.416  3614.52  127.165   62.281   1.1035   60.801   1.0774 1.480968 1.542293 
1 1 1   17   36   15 o   18.655   1.6339  350.529   58.985  390.599   85.489  314.122   81.488   19.693   2.2363   17.617   2.3828 2.076075 3.267822 
1 1 1   17   36   16 o   8.8444   2.3708   60.527   58.965   10.055   86.309  104.705   80.748   7.6102   3.2635   10.079   3.4397 -2.468392 4.741552 
1 1 1   17   36   17 o   11.537   2.4301  147.904   58.493  149.690   82.712  146.117   82.732   11.601   3.4321   11.472   3.4413 0.1289282 4.860213 
1 1 1   17   36   18 o   20.505   1.5655  431.479   62.311  431.765   87.829  431.189   88.415   20.516   2.2054   20.494   2.2225 0.2228165E-01 3.130980 
1 1 1   17   37    0 o   26.814   0.8769  699.316   45.631  689.877   63.699  709.265   65.398   26.628   1.2323   26.999   1.2478 -0.3707371 1.753767 
1 1 1   17   37    1 o   19.971   1.1549  393.440   44.078  468.479   61.971  316.608   62.706   21.930   1.4557   18.012   1.7934 3.918497 2.309864 
1 1 1   17   37    2 o   71.842   0.7413  5019.63  103.369  5079.15  146.265  4960.24  146.107   72.268   1.0426   71.416   1.0539 0.8524857 1.482510 
1 1 1   17   37    3 o   32.587   0.8202  1029.83   51.738  928.177   71.088  1144.33   75.444   30.881   1.1859   34.293   1.1333 -3.411909 1.640344 
1 1 1   17   37    4 o   6.2618   1.9568 -22.4265   46.935 -38.6673   64.345  -3.9595   68.614   5.7704   2.6243   6.7531   2.9033 -0.9827404 3.913571 
1 1 1   17   37    5 o   11.327   1.9447  124.125   48.187   37.897   67.076  216.082   69.269   7.8291   3.0550   14.824   2.4072 -6.994809 3.889405 
1 1 1   17   37    6 o   59.383   0.7096  3426.30   81.672  3345.85  111.977  3517.73  119.381   58.643   0.9837   60.124   1.0229 -1.481495 1.419110 
1 1 1   17   37    7 o   43.454   0.7506  1837.79   63.292  1913.60   90.418  1764.95   88.626   44.334   1.0506   42.575   1.0724 1.759453 1.501271 
1 1 1   17   37    8 o   4.5354   1.5825 -152.1292   49.989 -140.2459   67.090 -166.9599   74.950   4.4593   2.1954   4.6115   2.2797 -0.1522040 3.164940 
1 1 1   17   37    9 o   13.202   2.0455  178.501   50.849  157.186   68.344  204.931   76.102   12.312   2.9063   14.092   2.8792 -1.780596 4.091016 
1 1 1   17   37   10 o   16.431   1.6602  269.515   52.572  299.258   73.303  238.015   75.437   17.396   2.1707   15.466   2.5127 1.930304 3.320490 
1 1 1   17   37   11 o   12.340   2.1454  158.939   53.526  233.851   77.042   89.040   74.420   15.039   2.7399   9.6399   3.3021 5.399290 4.290859 
1 1 1   17   37   12 o   33.021   0.9436  1069.18   60.473  1048.09   85.633  1090.16   85.410   32.692   1.3494   33.349   1.3193 -0.6572952 1.887182 
1 1 1   17   37   13 o   28.504   1.0668  796.224   58.754  911.993   85.987  694.840   80.468   30.453   1.4546   26.555   1.5610 3.897902 2.133668 
1 1 1   17   37   14 f   11.261   2.3632  135.715   55.696  151.193   77.538  119.216   80.054   11.849   3.2660   10.674   3.4165 1.175451 4.726407 
1 1 1   17   37   15 o   20.421   1.4835  419.914   58.665  407.546   85.148  431.089   80.941   20.106   2.1817   20.737   2.0108 -0.6308403 2.966984 
1 1 1   17   37   16 o   9.1406   2.4190   75.798   57.850   72.476   84.008   78.794   79.780   9.0923   3.4520   9.1889   3.3896 -0.9653187E-01 4.837924 
1 1 1   17   37   17 o   30.909   1.0447  938.174   62.259  1040.61   95.045  861.185   82.397   32.353   1.5134   29.465   1.4406 2.888351 2.089396 
1 1 1   17   37   18 o   15.299   2.9419  279.414   91.093  367.500  136.542  208.764  122.284   17.487   4.0945   13.110   4.2253 4.377107 5.883727 
1 1 1   17   38    0 o   48.523   0.6636  2288.20   62.449  2270.59   86.427  2307.44   90.335   48.329   0.9213   48.716   0.9553 -0.3876839 1.327109 
1 1 1   17   38    1 f   9.2424   2.0974   80.339   42.830   62.949   57.637  101.782   64.004   8.3915   2.9044   10.093   3.0267 -1.701837 4.194786 
1 1 1   17   38    2 o   5.1612   1.7131 -85.4304   44.204 -134.5469   58.904 -22.1110   66.881   4.0711   2.0141   6.2512   2.7717 -2.180137 3.426237 
1 1 1   17   38    3 o   58.102   0.6926  3283.87   78.094  3317.11  109.676  3249.68  111.223   58.401   0.9674   57.802   0.9913 0.5996208 1.385112 
1 1 1   17   38    4 o   46.827   0.6966  2132.32   63.303  2201.22   90.378  2065.98   88.693   47.570   0.9787   46.084   0.9915 1.485836 1.393167 
1 1 1   17   38    5 o   35.829   0.7921  1249.95   55.090  1257.67   77.872  1242.20   77.947   35.941   1.1162   35.718   1.1242 0.2225189 1.584200 
1 1 1   17   38    6 o   65.249   0.7444  4145.25   94.273  4193.50  133.210  4096.85  133.436   65.631   1.0456   64.867   1.0597 0.7633896 1.488701 
1 1 1   17   38    7 o   56.183   0.8656  3053.62   89.809  3000.64  110.615  3156.10  153.838   55.512   1.0265   56.854   1.3939 -1.342281 1.731102 
1 1 1   17   38    8 o   48.676   0.7208  2307.69   68.106  2283.79   96.296  2331.62   96.338   48.423   1.0245   48.929   1.0143 -0.5061722 1.441639 
1 1 1   17   38    9 o   8.1473   2.2477   43.443   51.345   45.482   71.895   41.321   73.352   8.1835   3.1712   8.1111   3.1862 0.7233238E-01 4.495366 
1 1 1   17   38   10 o   33.422   0.8839  1090.55   57.289  1163.87   82.585  1022.53   79.537   34.507   1.2329   32.338   1.2671 2.169365 1.767900 
1 1 1   17   38   11 o   16.806   1.6842  283.398   54.604  319.764   77.417  247.397   77.027   17.913   2.2263   15.698   2.5278 2.215737 3.368422 
1 1 1   17   38   12 o   17.833   1.5968  321.037   54.748  291.968   80.649  345.883   74.560   17.032   2.4393   18.634   2.0613 -1.601109 3.193590 
1 1 1   17   38   13 o   24.900   1.2085  614.894   58.222  564.574   82.939  663.782   81.751   23.871   1.7899   25.930   1.6241 -2.059244 2.416928 
1 1 1   17   38   14 o   28.301   1.0825  789.905   59.403  842.297   85.889  741.862   82.247   29.204   1.5151   27.397   1.5465 1.806259 2.164951 
1 1 1   17   38   15 o   39.336   0.8940  1522.12   68.003  1529.22  100.788  1516.20   92.134   39.397   1.3179   39.276   1.2085 0.1215706 1.788072 
1 1 1   17   38   16 o   24.929   1.3107  613.915   62.834  744.097   95.186  513.379   83.649   27.259   1.7988   22.599   1.9068 4.659994 2.621376 
1 1 1   17   38   17 o   26.829   1.2082  716.661   62.340  761.771   95.944  683.702   82.010   27.507   1.7968   26.150   1.6156 1.357445 2.416346 
1 1 1   17   39    0 o   39.486   0.7041  1516.04   53.964  1493.54   75.554  1539.48   77.102   39.187   0.9932   39.784   0.9984 -0.5976524 1.408274 
1 1 1   17   39    1 o   31.681   0.8070  978.532   49.527  1009.35   68.582  944.945   71.597   32.206   1.0970   31.155   1.1839 1.051126 1.613989 
1 1 1   17   39    2 o   82.050   0.7987  6554.09  127.121  6581.54  176.612  6524.58  183.118   82.233   1.1064   81.866   1.1523 0.3662643 1.597458 
1 1 1   17   39    3 o   29.809   0.8867  856.287   51.030  766.791   68.143  970.563   77.001   28.055   1.2513   31.562   1.2568 -3.507822 1.773470 
1 1 1   17   39    4 o   21.186   1.1423  438.027   46.877  430.334   64.001  446.931   68.853   20.989   1.5708   21.382   1.6588 -0.3930607 2.284558 
1 1 1   17   39    5 o   12.896   1.9538  171.005   47.419  169.345   68.304  172.550   65.883   12.825   2.8204   12.968   2.7047 -0.1436977 3.907699 
1 1 1   17   39    6 o   10.043   2.2242   98.663   48.797  124.256   70.679   75.352   67.454   11.007   3.1489   9.0794   3.1420 1.927486 4.448349 
1 1 1   17   39    7 o   9.3688   2.2348   75.827   51.283  125.464   72.918   27.247   72.138   11.056   3.2088   7.6815   3.1115 3.374487 4.469660 
1 1 1   17   39    8 o   46.994   0.7617  2153.11   69.471  2139.02   99.160  2166.69   97.358   46.841   1.0906   47.148   1.0638 -0.3070793 1.523443 
1 1 1   17   39    9 o   7.8524   2.0973   4.8726   51.996  107.892   76.599 -83.1605   70.809   10.371   3.3443   5.3341   2.5320 5.036500 4.194694 
1 1 1   17   39   10 o   32.981   0.9347  1064.27   59.760  1083.34   87.158  1047.34   82.095   33.253   1.3503   32.708   1.2930 0.5444908 1.869492 
1 1 1   17   39   11 o   11.640   2.2870  135.796   55.434  208.348   84.876   81.826   73.204   13.974   3.1981   9.3067   3.2702 4.667261 4.574078 
1 1 1   17   39   12 o   53.493   0.7577  2792.70   78.599  2898.49  114.378  2698.04  108.192   54.447   1.0822   52.538   1.0608 1.908989 1.515424 
1 1 1   17   39   13 o   34.513   0.9511  1172.66   63.523  1150.85   93.077  1191.67   86.910   34.193   1.4023   34.833   1.2853 -0.6399956 1.902208 
1 1 1   17   39   14 o   24.305   1.3034  603.209   59.884  506.063   90.626  678.498   79.783   22.436   2.0808   26.174   1.5702 -3.738174 2.606835 
1 1 1   17   39   15 o   21.928   1.4303  492.521   59.673  426.902   89.590  544.847   80.002   20.497   2.2516   23.359   1.7643 -2.861851 2.860540 
1 1 1   17   39   16 o   9.1412   2.3682   72.430   57.956  124.534   82.860   22.525   81.093   10.660   3.4814   7.6222   3.2116 3.037926 4.736463 
1 1 1   17   39   17 o   23.083   1.8653  568.729   75.304  539.363  137.620  581.278   89.967   22.235   3.1885   23.931   1.9367 -1.696051 3.730580 
1 1 1   17   40    0 o   50.976   0.6777  2526.86   67.049  2501.33   93.613  2553.75   96.078   50.712   0.9510   51.239   0.9660 -0.5269699 1.355499 
1 1 1   17   40    1 o   32.291   0.7702  1015.05   48.269  993.145   68.262  1036.95   68.264   31.941   1.1009   32.640   1.0774 -0.6988983 1.540383 
1 1 1   17   40    2 o   19.821   1.1801  382.566   45.318  358.892   61.859  409.993   66.581   19.162   1.6630   20.480   1.6748 -1.317808 2.360204 
1 1 1   17   40    3 o   56.001   0.8092  3060.77   83.899  3074.93  104.185  3034.65  141.511   56.216   0.9547   55.786   1.3068 0.4297523 1.618375 
1 1 1   17   40    4 o   23.930   1.0450  557.241   48.404  501.810   66.415  620.041   70.692   22.662   1.5097   25.198   1.4452 -2.535639 2.089966 
1 1 1   17   40    5 o   37.742   0.7722  1383.76   56.461  1327.47   76.982  1449.29   83.060   36.916   1.0743   38.568   1.1094 -1.652126 1.544316 
1 1 1   17   40    6 o   17.332   1.5832  304.165   48.978  189.370   67.064  435.382   71.700   13.592   2.6369   21.071   1.7529 -7.479242 3.166406 
1 1 1   17   40    7 o   33.036   0.8698  1064.82   55.765  1035.14   77.990  1095.86   79.768   32.565   1.2337   33.508   1.2264 -0.9426956 1.739557 
1 1 1   17   40    8 o   14.513   1.8901  216.400   51.201  208.870   70.008  225.060   75.074   14.248   2.6280   14.777   2.7173 -0.5293055 3.780232 
1 1 1   17   40    9 o   12.698   2.1196  171.074   51.639  144.257   74.859  195.420   71.326   11.697   3.2029   13.700   2.7772 -2.002400 4.239246 
1 1 1   17   40   10 f   19.188   1.5451  368.720   57.307  339.326   82.382  396.281   79.771   18.415   2.3046   19.961   2.0587 -1.546139 3.090180 
1 1 1   17   40   11 o   27.727   1.0803  757.057   58.141  752.679   82.468  761.383   81.981   27.645   1.5368   27.809   1.5187 -0.1641006 2.160542 
1 1 1   17   40   12 o   27.158   1.1324  729.549   59.597  692.021   85.140  765.603   83.451   26.455   1.6579   27.860   1.5431 -1.405260 2.264879 
1 1 1   17   40   13 o   20.873   1.4009  442.034   55.568  538.140   78.157  343.795   79.020   23.274   1.7299   18.471   2.2038 4.803350 2.801701 
1 1 1   17   40   14 o   14.333   2.0502  215.601   56.049  301.981   83.451  144.610   75.653   17.169   2.5038   11.496   3.2471 5.673095 4.100325 
1 1 1   17   40   15 o   11.596   2.3936  149.533   57.807  173.582   81.112  124.711   82.405   12.487   3.2974   10.705   3.4705 1.781813 4.787196 
1 1 1   17   40   16 o   21.745   1.5109  479.737   63.087  584.561   93.184  391.035   85.719   23.990   2.0010   19.500   2.2645 4.490139 3.021899 
1 1 1   17   41    0 o   43.780   1.0290  1898.51   73.088  1922.19   83.343  1819.67  152.080   44.448   0.9660   43.113   1.8172 1.334896 2.057973 
1 1 1   17   41    1 o   22.404   1.0250  491.549   44.362  436.039   62.745  547.034   62.730   21.128   1.5299   23.680   1.3647 -2.552229 2.050085 
1 1 1   17   41    2 o   14.684   1.5887  212.535   45.164  215.356   61.903  209.325   66.040   14.797   2.1552   14.571   2.3348 0.2253819 3.177383 
1 1 1   17   41    3 o   62.817   0.7168  3842.30   87.380  3860.29  122.405  3823.60  124.777   62.969   1.0014   62.665   1.0258 0.3046265 1.433521 
1 1 1   17   41    4 o   52.715   0.7042  2705.83   72.052  2700.28  102.533  2711.24  101.272   52.661   1.0030   52.770   0.9886 -0.1092377 1.408351 
1 1 1   17   41    5 o   26.668   0.9926  694.823   51.331  697.260   74.413  692.611   70.899   26.709   1.4353   26.628   1.3716 0.8110809E-01 1.985294 
1 1 1   17   41    6 o   47.176   0.7305  2169.50   66.870  2199.14   93.657  2138.68   95.508   47.508   1.0156   46.844   1.0503 0.6640053 1.461019 
1 1 1   17   41    7 o   53.685   0.7258  2810.25   75.630  2814.72  106.546  2805.71  107.373   53.729   1.0216   53.641   1.0312 0.8832932E-01 1.451522 
1 1 1   17   41    8 o   25.426   1.0799  633.485   53.211  613.464   72.743  656.527   78.039   25.000   1.4989   25.852   1.5551 -0.8516273 2.159873 
1 1 1   17   41    9 o   38.916   0.8243  1480.63   62.257  1443.99   87.053  1518.99   89.073   38.423   1.1672   39.409   1.1644 -0.9859123 1.648622 
1 1 1   17   41   10 o   9.2751   1.9528   46.718   52.055  184.616   73.906 -89.0415   73.331   13.199   2.9577   5.3510   2.5504 7.848272 3.905509 
1 1 1   17   41   11 o   10.689   2.2507  112.839   55.208  187.853   78.921   40.954   77.257   13.252   3.1196   8.1261   3.2450 5.126325 4.501344 
1 1 1   17   41   12 f   34.853   0.9403  1197.31   63.446  1288.89   89.308  1103.99   90.150   36.221   1.2702   33.484   1.3870 2.737286 1.880685 
1 1 1   17   41   13 o   6.0868   2.0046 -66.1554   58.221 -94.3221   83.524 -39.5352   81.198   5.7319   2.7292   6.4417   2.9368 -0.7098646 4.009121 
1 1 1   17   41   14 o   10.527   2.4124  112.465   58.993  170.899   86.390   61.408   80.753   12.376   3.4609   8.6790   3.3616 3.696769 4.824707 
1 1 1   17   41   15 o   19.478   1.6571  391.580   62.330  368.979   90.987  411.564   85.559   18.880   2.4827   20.076   2.1954 -1.196783 3.314148 
1 1 1   17   41   16 o   7.3431   2.3664 -24.4820   69.977 -82.9256  132.881  -2.0547   82.316   7.6170   3.5701   7.0691   3.1072 0.5478344 4.732864 
1 1 1   17   42    0 o   56.475   0.9073  3121.92   88.876  3135.80  104.564  3085.79  168.694   56.764   0.9489   56.186   1.5467 0.5785217 1.814607 
1 1 1   17   42    1 o   42.048   0.9643  1762.20   67.971  1799.91   78.846  1653.06  134.127   43.005   0.9445   41.092   1.6815 1.913078 1.928606 
1 1 1   17   42    2 o   22.103   1.0979  485.784   46.021  369.813   65.422  599.384   64.749   19.427   1.7348   24.779   1.3461 -5.352186 2.195789 
1 1 1   17   42    3 o   20.226   1.2129  401.961   47.463  366.744   67.415  436.576   66.835   19.335   1.7961   21.116   1.6306 -1.780348 2.425867 
1 1 1   17   42    4 o   57.840   0.7159  3259.17   80.367  3278.73  112.915  3239.07  114.413   58.018   1.0026   57.662   1.0222 0.3559952 1.431783 
1 1 1   17   42    5 o   28.413   0.9372  783.398   51.508  871.908   76.540  710.137   69.634   29.871   1.3200   26.956   1.3308 2.914598 1.874400 
1 1 1   17   42    6 o   17.534   1.4806  310.217   48.978  229.616   69.693  388.872   68.846   15.193   2.3631   19.876   1.7844 -4.682844 2.961132 
1 1 1   17   42    7 o   26.967   1.0676  715.646   55.745  672.587   79.936  756.411   77.777   26.162   1.5740   27.772   1.4427 -1.609703 2.135162 
1 1 1   17   42    8 o   20.096   1.3896  400.282   53.944  402.743   80.429  398.269   72.727   20.132   2.0581   20.061   1.8676 0.7085419E-01 2.779134 
1 1 1   17   42    9 f   27.035   1.1251  720.410   59.023  693.795   82.840  747.851   84.116   26.523   1.6090   27.547   1.5730 -1.023540 2.250157 
1 1 1   17   42   10 o   8.0616   2.2422   34.102   52.732   79.052   79.736  -0.8393   70.301   9.3410   3.3973   6.7821   2.9272 2.558850 4.484471 
1 1 1   17   42   11 o   30.553   1.0184  920.006   60.300  914.174   87.642  925.249   83.095   30.447   1.4829   30.659   1.3962 -0.2112885 2.036739 
1 1 1   17   42   12 o   20.012   1.5689  413.396   59.393  347.256   89.572  465.292   79.343   18.446   2.5015   21.579   1.8942 -3.132706 3.137743 
1 1 1   17   42   13 o   17.766   1.7982  326.005   61.639  298.715   89.311  350.826   85.177   16.986   2.7086   18.546   2.3660 -1.560005 3.596435 
1 1 1   17   42   14 o   33.026   1.0331  1084.50   66.018  1174.07   92.870  993.003   93.866   34.442   1.3891   31.610   1.5297 2.831980 2.066280 
1 1 1   17   42   15 o   8.9103   2.4433   68.637   60.991   47.134   87.371   89.075   85.180   8.3599   3.4101   9.4606   3.4999 -1.100611 4.886514 
1 1 1   17   43    0 o   13.857   2.2911  240.381   51.981  269.926   57.068   96.478  125.948   16.592   1.7719   11.122   4.2257 5.469658 4.582163 
1 1 1   17   43    1 o   21.623   1.7269  477.042   54.354  484.864   59.960  440.977  128.748   22.279   1.3864   20.967   3.1633 1.312330 3.453794 
1 1 1   17   43    2 o   21.540   1.6915  473.793   56.630  484.299   63.785  434.689  123.061   22.253   1.4766   20.827   3.0438 1.425608 3.383096 
1 1 1   17   43    3 o   12.168   2.2390  168.785   56.591  213.199   67.237   60.883  104.801   14.669   2.3613   9.6674   3.8049 5.001421 4.478067 
1 1 1   17   43    4 o   5.0379   1.7024 -87.9993   46.978 -103.4980   67.602 -73.5249   65.330   4.8924   2.3621   5.1834   2.4522 -0.2910385 3.404780 
1 1 1   17   43    5 o   35.050   0.8289  1200.06   56.394  1193.10   80.218  1206.85   79.297   34.948   1.1825   35.153   1.1621 -0.2046661 1.657894 
1 1 1   17   43    6 o   45.907   0.7500  2062.73   66.650  1939.18   95.800  2178.62   92.786   44.560   1.1075   47.255   1.0115 -2.695305 1.499940 
1 1 1   17   43    7 o   14.472   1.9788  220.088   53.847  178.542   79.069  256.022   73.535   12.955   3.1700   15.989   2.3692 -3.034274 3.957535 
1 1 1   17   43    8 o   9.8039   2.3333   91.441   55.229   44.711   79.376  135.292   76.893   8.3169   3.2993   11.291   3.3003 -2.974021 4.666642 
1 1 1   17   43    9 o   7.2118   2.1663   5.0052   52.667   29.775   80.646 -13.4144   69.544   7.9599   3.2649   6.4637   2.8480 1.496192 4.332520 
1 1 1   17   43   10 o   11.478   2.2371  139.437   56.577   57.369   81.407  216.111   78.686   8.6939   3.3730   14.263   2.9397 -5.569125 4.474255 
1 1 1   17   43   11 o   15.337   1.9870  256.854   56.012  184.925   83.878  314.745   75.249   13.003   3.3135   17.671   2.1937 -4.668021 3.973907 
1 1 1   17   43   12 o   37.757   0.9002  1404.80   65.914  1356.71   94.132  1451.07   92.328   37.108   1.3068   38.406   1.2384 -1.297897 1.800376 
1 1 1   17   43   13 o   7.5523   2.2499   10.477   58.736   56.299   81.574 -38.8577   84.642   8.5390   3.3581   6.5657   2.9952 1.973372 4.499853 
1 1 1   17   43   14 o   19.841   1.6617  404.854   61.710  553.629   91.137  278.890   83.860   23.360   2.0098   16.322   2.6467 7.037769 3.323322 
1 1 1   17   44    0 o   19.366   1.6508  349.807   51.164  334.419   57.306  410.272  113.596   18.477   1.5978   20.255   2.8891 -1.778254 3.301505 
1 1 1   17   44    1 o   18.178   2.0296  354.300   53.723  366.353   60.100  306.372  119.842   19.334   1.6013   17.022   3.7299 2.311918 4.059128 
1 1 1   17   44    2 o   26.031   1.4109  678.928   56.345  685.974   62.977  650.660  126.140   26.504   1.2241   25.557   2.5426 0.9470406 2.821887 
1 1 1   17   44    3 o   11.164   2.5391  126.828   57.320  134.625   65.136  100.062  120.684   11.351   2.9345   10.976   4.1446 0.3750839 5.078283 
1 1 1   17   44    4 o   27.958   1.2305  759.380   60.303  745.782   71.075  794.321  113.933   27.602   1.3265   28.314   2.0729 -0.7118130 2.461028 
1 1 1   17   44    5 o   15.881   1.5731  260.933   45.806  214.660   69.396  296.659   60.977   14.428   2.5720   17.334   1.8121 -2.906124 3.146288 
1 1 1   17   44    6 o   41.915   0.7825  1717.40   63.596  1719.83   87.953  1714.74   92.066   41.953   1.0800   41.877   1.1325 0.7604218E-01 1.564939 
1 1 1   17   44    7 o   14.073   1.9377  208.044   51.417  270.811   72.946  146.068   72.485   16.439   2.2860   11.708   3.1293 4.730548 3.875317 
1 1 1   17   44    8 o   12.149   2.2382  157.936   53.316  162.387   74.042  153.144   76.836   12.334   3.0969   11.963   3.2322 0.3709183 4.476330 
1 1 1   17   44    9 f   16.699   1.7074  286.470   53.164  346.295   76.001  229.146   74.395   18.602   2.1047   14.797   2.6892 3.805401 3.414880 
1 1 1   17   44   10 o   8.2897   2.2246   40.935   53.708 -18.9214   75.365  102.704   76.559   6.5784   2.9282   10.001   3.3496 -3.422592 4.449113 
1 1 1   17   44   11 o   28.233   1.1046  790.873   60.428  773.949   87.579  806.252   83.484   27.924   1.6157   28.542   1.5068 -0.6179295 2.209242 
1 1 1   17   44   12 o   19.012   1.5781  367.506   58.141  369.180   80.063  365.639   84.568   19.085   2.1611   18.940   2.3002 0.1450558 3.156198 
1 1 1   17   44   13 o   22.919   1.3404  530.265   59.528  505.624   85.273  553.686   83.138   22.368   1.9639   23.470   1.8248 -1.102575 2.680860 
1 1 1   17   44   14 o   16.954   1.9324  306.823   59.758  431.226   88.562  202.840   80.968   20.470   2.2287   13.438   3.1576 7.032929 3.864899 
1 1 1   17   45    0 o   32.286   1.2525  1109.44   60.042  1163.59   67.186  894.709  133.799   34.550   1.0018   30.022   2.2959 4.527849 2.504936 
1 1 1   17   45    1 o   10.804   2.4117  123.498   53.668  139.064   60.909   69.461  113.487   11.550   2.7552   10.057   3.9591 1.492553 4.823478 
1 1 1   17   45    2 o   19.360   1.6972  382.088   55.723  391.574   65.180  356.328  107.412   19.950   1.6831   18.771   2.9478 1.178894 3.394467 
1 1 1   17   45    3 o   27.789   1.3348  787.694   62.045  814.003   72.199  713.399  121.328   28.838   1.2897   26.741   2.3373 2.096594 2.669553 
1 1 1   17   45    4 o   17.356   2.1521  313.651   60.056  315.179   68.977  308.860  122.097   17.827   1.9932   16.885   3.8149 0.9417667 4.304272 
1 1 1   17   45    5 o   18.442   1.8493  335.928   60.083  325.498   70.937  362.407  113.024   18.094   2.0197   18.791   3.0985 -0.6978970 3.698595 
1 1 1   17   45    6 o   47.572   0.9719  2239.95   80.531  2262.94   95.181  2182.02  151.075   48.130   1.0188   47.014   1.6554 1.115879 1.943744 
1 1 1   17   45    7 o   42.765   0.7862  1787.93   65.236  1717.29   91.120  1862.22   93.439   41.896   1.1204   43.634   1.1032 -1.737457 1.572341 
1 1 1   17   45    8 o   8.5137   2.2627   58.587   51.554   35.480   73.858   80.543   71.994   7.8364   3.1574   9.1909   3.2418 -1.354477 4.525318 
1 1 1   17   45    9 o   6.2620   2.0204 -42.4819   54.685 -60.7463   75.946 -22.8160   78.806   5.8640   2.7321   6.6600   2.9772 -0.7960038 4.040839 
1 1 1   17   45   10 o   32.704   0.9569  1054.60   60.530  1051.83   89.391  1056.94   82.258   32.643   1.4107   32.766   1.2933 -0.1229744 1.913805 
1 1 1   17   45   11 o   33.885   0.9978  1135.43   65.578  1191.88   92.997  1079.60   92.489   34.736   1.3792   33.033   1.4424 1.703423 1.995629 
1 1 1   17   45   12 o   33.123   1.0220  1087.54   65.651  1025.57   91.953  1151.96   93.761   32.147   1.4735   34.099   1.4165 -1.951801 2.043955 
1 1 1   17   45   13 o   9.8844   2.2873   95.232   59.690  -8.0501   89.669  177.416   79.987   7.2437   3.2107   12.525   3.2587 -5.281322 4.574685 
1 1 1   17   46    0 o   15.384   2.2252  267.419   54.583  286.187   62.059  203.297  114.710   17.021   1.8782   13.746   4.0347 3.275146 4.450471 
1 1 1   17   46    1 o   8.9067   2.5213   46.750   56.975   42.785   64.491   60.846  121.611   7.7824   3.0069   10.031   4.0481 -2.248722 5.042653 
1 1 1   17   46    2 o   7.1822   2.2899 -74.6361   55.304 -108.4234   62.145   53.982  121.251   4.5113   2.1980   9.8531   4.0179 -5.341856 4.579860 
1 1 1   17   46    3 o   26.876   1.3208  731.856   62.369  756.472   74.657  674.989  113.472   27.763   1.3853   25.990   2.2491 1.772221 2.641511 
1 1 1   17   46    4 o   19.807   1.7016  372.783   61.372  335.931   73.442  458.082  111.734   18.365   2.0601   21.249   2.7089 -2.883776 3.403212 
1 1 1   17   46    5 o   25.919   1.4979  664.730   67.453  657.833   79.256  682.852  128.472   25.834   1.5805   26.005   2.5450 -0.1710777 2.995823 
1 1 1   17   46    6 o   21.386   1.6906  452.048   66.209  435.878   80.598  485.604  116.103   20.927   1.9840   21.845   2.7380 -0.9177265 3.381269 
1 1 1   17   46    7 o   20.137   1.9784  431.377   68.027  450.535   82.047  389.239  121.680   21.248   1.9892   19.026   3.4204 2.222425 3.956764 
1 1 1   17   46    8 o   22.694   1.3260  513.982   58.061  444.242   80.995  587.698   83.273   21.074   1.9799   24.313   1.7644 -3.239428 2.652022 
1 1 1   17   46    9 o   20.068   1.4838  407.126   57.196  393.142   86.430  418.022   76.290   19.702   2.2599   20.434   1.9233 -0.7315102 2.967520 
1 1 1   17   46   10 o   20.637   1.5136  431.476   60.529  409.462   86.460  452.636   84.766   20.090   2.2171   21.185   2.0613 -1.094902 3.027226 
1 1 1   17   46   11 o   24.075   1.3000  581.810   60.734  582.872   87.030  580.802   84.795   24.087   1.8613   24.064   1.8153 0.2286911E-01 2.599938 
1 1 1   17   46   12 o   34.758   1.0178  1198.59   68.600  1276.85   99.021  1126.36   95.127   35.857   1.4226   33.659   1.4559 2.197357 2.035572 
1 1 1   17   47    0 f   15.546   2.2718  244.971   57.472  238.335   65.235  267.978  121.470   15.462   2.1734   15.629   3.9901 -0.1667032 4.543600 
1 1 1   17   47    1 o   19.787   1.7052  386.844   58.575  379.051   68.652  407.701  112.307   19.572   1.8069   20.002   2.8925 -0.4297142 3.410494 
1 1 1   17   47    2 o   15.295   2.2078  216.826   57.691  177.493   66.865  331.384  114.113   13.005   2.7354   17.585   3.4662 -4.579640 4.415548 
1 1 1   17   47    3 o   25.660   1.4518  583.692   65.414  499.218   75.606  835.196  130.457   22.470   1.7334   28.850   2.3294 -6.380695 2.903592 
1 1 1   17   47    4 o   24.510   1.5111  596.152   64.402  591.547   75.765  608.143  122.263   24.492   1.5936   24.527   2.5679 -0.3479767E-01 3.022205 
1 1 1   17   47    5 f   25.442   1.4419  660.012   65.623  685.433   79.743  606.675  115.507   26.361   1.5583   24.522   2.4265 1.838560 2.883806 
1 1 1   17   47    6 o   8.8054   2.5133   46.602   67.739   83.961   80.712 -42.4167  124.588   9.4713   3.4221   8.1395   3.6819 1.331772 5.026658 
1 1 1   17   47    7 o   28.663   1.4372  892.805   71.564  1025.92   88.429  640.144  121.829   32.258   1.4122   25.068   2.5036 7.190643 2.874454 
1 1 1   17   47    8 o   28.771   1.4968  853.997   74.840  882.143   89.050  786.307  138.100   29.848   1.5369   27.693   2.5689 2.154783 2.993597 
1 1 1   17   47    9 f   30.848   1.2815  955.210   73.116  964.408   90.938  938.391  122.968   31.201   1.5015   30.496   2.0772 0.7049732 2.563059 
1 1 1   17   47   10 o   16.704   2.4567  312.956   72.289  320.903   86.555  294.628  131.443   17.627   2.5295   15.780   4.2123 1.847092 4.913399 
1 1 1   17   47   11 o   15.932   1.9661  277.438   57.724  232.888   87.796  311.359   76.611   14.448   3.2135   17.416   2.2660 -2.968838 3.932126 
1 1 1   17   47   12 f   23.070   1.3999  543.012   62.096  456.122   87.030  633.119   88.626   21.104   2.1244   25.036   1.8236 -3.932598 2.799782 
1 1 1   17   48    0 o   33.378   1.1622  1091.37   65.035  1083.35   74.934  1115.84  130.923   33.270   1.1603   33.485   2.0142 -0.2154427 2.324461 
1 1 1   17   48    1 o   22.712   1.5854  464.441   60.614  418.121   68.745  626.224  128.477   20.566   1.7220   24.857   2.6626 -4.291164 3.170875 
1 1 1   17   48    2 o   30.667   1.2497  905.974   66.379  876.915   77.414  986.669  129.003   29.891   1.3342   31.444   2.1135 -1.552992 2.499388 
1 1 1   17   48    3 o   9.6105   2.5324   79.685   60.145   78.100   72.650   83.138  107.228   9.1418   3.2531   10.079   3.8821 -0.9375439 5.064885 
1 1 1   17   48    4 o   15.942   2.3931  291.945   65.385  317.734   76.597  222.689  125.521   17.788   2.2182   14.096   4.2412 3.692459 4.786291 
1 1 1   17   48    5 o   22.943   1.6801  537.432   68.893  545.765   83.192  519.245  122.903   23.419   1.8300   22.466   2.8181 0.9524994 3.360171 
1 1 1   17   48    6 f   13.175   2.6411  178.315   67.783  142.459   82.661  251.917  118.431   11.451   3.4409   14.898   4.0076 -3.446598 5.282162 
1 1 1   17   48    7 o   21.606   2.0577  515.877   71.877  547.652   84.699  434.104  135.874   23.405   1.8642   19.807   3.6689 3.597895 4.115387 
1 1 1   17   48    8 o   23.646   1.6177  560.534   70.762  541.680   87.163  596.983  121.191   23.227   1.9332   24.065   2.5943 -0.8377628 3.235387 
1 1 1   17   48    9 o   12.119   2.6094  176.508   69.607  213.211   82.233   83.749  130.728   13.929   3.1190   10.309   4.1842 3.619415 5.218739 
1 1 1   17   48   10 o   28.837   1.3857  858.554   70.018  884.335   83.706  798.490  127.767   29.841   1.4450   27.832   2.3649 2.009094 2.771391 
1 1 1   17   48   11 o   34.471   1.2473  1177.50   78.110  1142.40   94.495  1253.22  138.789   33.885   1.4366   35.057   2.0395 -1.171997 2.494669 
1 1 1   17   49    0 o   12.881   2.5248  143.360   59.673   99.297   68.613  280.168  120.901   9.8461   3.1641   15.916   3.9354 -6.069624 5.049652 
1 1 1   17   49    1 o   23.407   1.5130  542.640   62.033  535.274   73.223  561.370  116.755   23.278   1.6204   23.536   2.5555 -0.2574997 3.025972 
1 1 1   17   49    2 o   21.392   1.7020  403.407   63.429  338.471   72.844  607.037  128.995   18.406   2.0388   24.377   2.7260 -5.971075 3.404071 
1 1 1   17   49    3 o   25.239   1.7396  641.714   84.635  610.588  112.219  682.775  128.888   24.581   2.3518   25.897   2.5639 -1.316206 3.479127 
1 1 1   17   49    4 o   23.666   1.5713  598.767   64.868  657.316   78.975  477.362  113.724   25.772   1.5786   21.560   2.7173 4.212402 3.142551 
1 1 1   17   49    5 o   13.296   2.3443  227.404   68.365  300.987   79.859   25.537  132.272   17.205   2.3911   9.3865   4.0331 7.818493 4.688617 
1 1 1   17   49    6 o   19.597   1.8985  349.936   67.039  278.349   78.848  536.677  127.348   16.500   2.4618   22.694   2.8908 -6.194027 3.796997 
1 1 1   17   49    7 o   25.842   1.5296  671.663   69.041  665.405   81.491  687.580  129.967   25.867   1.6229   25.817   2.5933 0.4959679E-01 3.059263 
1 1 1   17   49    8 o   17.568   2.2681  325.346   66.755  314.264   77.692  356.605  130.483   17.540   2.2818   17.596   3.9205 -0.5565071E-01 4.536192 
1 1 1   17   49    9 o   28.690   1.4210  773.897   71.892  697.438   83.842  986.240  139.723   26.417   1.6350   30.962   2.3247 -4.544687 2.842100 
1 1 1   17   49   10 o   9.3773   2.6013   61.406   66.677   24.068   81.467  137.171  116.049   7.6103   3.2134   11.144   4.0916 -3.533878 5.202627 
1 1 1   17   50    0 o   39.439   1.1137  1485.05   73.765  1435.24   84.553  1643.74  150.923   38.271   1.1381   40.606   1.9147 -2.334698 2.227407 
1 1 1   17   50    1 o   23.258   1.7785  565.833   66.482  579.746   75.995  520.462  137.233   24.199   1.6178   22.317   3.1678 1.882256 3.556980 
1 1 1   17   50    2 o   25.128   1.4596  631.596   64.678  628.977   76.889  637.932  119.608   25.211   1.5711   25.044   2.4603 0.1674690 2.919177 
1 1 1   17   50    3 o   7.7515   2.4094   0.5690   63.638   6.3941   74.418 -15.2814  122.758   7.0724   3.0316   8.4306   3.7457 -1.358202 4.818798 
1 1 1   17   50    4 o   21.884   1.8280  482.817   66.195  474.784   75.807  508.604  135.825   21.818   1.7899   21.949   3.1878 -0.1316299 3.655954 
1 1 1   17   50    5 o   10.001   2.5798   98.057   62.310  106.006   73.931   78.561  115.776   10.029   3.2891   9.9717   3.9755 0.5774403E-01 5.159672 
1 1 1   17   50    6 o   23.981   1.7176  577.943   72.473  562.050   85.632  618.065  136.059   23.675   1.8633   24.287   2.8859 -0.6125622 3.435152 
1 1 1   17   50    7 o   9.4640   2.4511   86.454   63.146  127.723   75.050 -13.5785  116.845   10.776   3.2879   8.1519   3.6360 2.624207 4.902125 
1 1 1   17   50    8 o   16.143   2.4661  333.612   67.696  375.800   78.026  205.178  136.140   19.211   2.0923   13.076   4.4663 6.135182 4.932129 
1 1 1   17   50    9 o   35.048   1.3437  1274.19   83.052  1322.15   99.953  1167.24  149.265   36.469   1.4119   33.627   2.2867 2.842232 2.687445 
1 1 1   17   51    0 o   10.778   2.6057   95.578   57.509   68.068   65.378  189.670  120.909   8.5552   3.0815   13.000   4.2027 -4.444948 5.211369 
1 1 1   17   51    1 o   18.441   1.9754  314.378   64.553  266.253   75.081  450.792  126.408   16.177   2.3909   20.704   3.1452 -4.527243 3.950786 
1 1 1   17   51    2 o   13.937   2.5395  226.450   65.266  244.558   74.592  167.307  134.802   15.464   2.4848   12.410   4.4296 3.054000 5.078997 
1 1 1   17   51    3 o   9.8014   2.6028   85.654   61.387   81.768   71.497   96.553  119.743   9.1333   3.2296   10.470   4.0827 -1.336215 5.205693 
1 1 1   17   51    4 o   18.252   2.2793  403.036   65.505  449.866   76.466  273.907  126.975   21.189   1.8590   15.315   4.1622 5.873922 4.558540 
1 1 1   17   51    5 o   10.092   2.6853   93.076   63.683   89.234   72.671  105.791  132.198   9.3722   3.2603   10.812   4.2677 -1.439781 5.370509 
1 1 1   17   51    6 o   11.796   2.6270  141.204   63.050  110.825   75.235  212.873  115.558   10.136   3.3177   13.457   4.0740 -3.321263 5.254009 
1 1 1   17   51    7 o   9.3174   2.6569   67.554   67.887   65.734   79.327   72.534  131.227   8.6697   3.3391   9.9650   4.1336 -1.295310 5.313742 
1 1 1   17   51    8 o   14.329   2.4731  246.354   69.472  283.779   86.665  179.064  116.207   16.373   2.7268   12.286   4.1268 4.086824 4.946297 
1 1 1   17   52    0 o   12.926   2.6961  137.141   63.089   91.504   70.722  314.988  139.611   9.4671   3.2192   16.385   4.3258 -6.917747 5.392170 
1 1 1   17   52    1 o   12.874   2.6855  141.560   64.857   91.802   73.892  308.524  135.356   9.5140   3.2888   16.235   4.2465 -6.720992 5.371086 
1 1 1   17   52    2 o   30.171   1.2911  906.922   67.427  901.641   79.153  920.888  128.729   30.220   1.3493   30.121   2.2016 0.9931755E-01 2.582193 
1 1 1   17   52    3 o   38.568   1.1901  1501.35   76.068  1518.64   87.654  1448.62  153.095   39.302   1.1489   37.834   2.0846 1.467777 2.380211 
1 1 1   17   52    4 o   8.4722   2.5012   27.661   62.091   7.7407   72.875   80.421  118.602   6.9727   2.9947   9.9717   4.0069 -2.998950 5.002371 
1 1 1   17   52    5 o   8.7505   2.5696   46.967   65.773   47.855   76.864   44.540  127.108   8.1154   3.2380   9.3857   3.9909 -1.270341 5.139255 
1 1 1   17   52    6 o   13.900   2.6692  227.089   69.941  230.347   82.644  218.867  131.293   14.419   3.0479   13.382   4.3828 1.037785 5.338449 
1 1 1   17   52    7 o   14.904   2.9797  272.157   90.295  296.117  128.330  248.664  127.073   15.593   4.1620   14.216   4.2651 1.376683 5.959312 
1 1 1   17   53    0 o   11.783   2.6332  154.517   63.807  158.666   74.791  143.418  122.312   11.989   3.1666   11.577   4.2081 0.4114742 5.266466 
1 1 1   17   53    1 f   14.603   2.5086  260.049   66.711  287.544   76.849  175.969  134.386   16.746   2.3640   12.460   4.4254 4.285806 5.017283 
1 1 1   17   53    2 f   7.0053   2.2543 -32.4707   65.817   13.736   74.984 -187.5494  137.370   7.1936   3.0622   6.8171   3.3093 0.3765068 4.508668 
1 1 1   17   53    3 o   14.292   2.4493  197.203   62.841  143.370   73.694  340.659  120.301   11.341   3.2053   17.244   3.7044 -5.902847 4.898641 
1 1 1   17   53    4 o   20.876   1.9453  441.291   69.542  420.385   80.564  502.403  137.743   20.325   2.0419   21.427   3.3117 -1.101770 3.890603 
1 1 1   17   53    5 o   21.385   1.7915  465.202   69.993  439.941   84.808  519.164  123.953   20.739   2.1067   22.031   2.8984 -1.292616 3.583095 
1 1 1   17   54    0 o   8.9891   2.6471   52.136   69.368   59.811   79.520   27.703  141.879   8.5263   3.3265   9.4519   4.1187 -0.9256163 5.294237 
1 1 1   17   54    1 o   11.676   2.6437  158.565   65.904  171.892   77.330  123.197  125.977   12.381   3.1958   10.971   4.2123 1.410269 5.287383 
1 1 1   17   54    2 o   7.6676   2.3467   9.2065   65.380   52.929   75.385 -123.4916  131.330   8.1840   3.2252   7.1512   3.4097 1.032814 4.693394 
1 1 1   17   54    3 o   20.826   2.5568  538.329   93.460  717.156  123.387  297.627  143.151   26.265   2.4201   15.386   4.5047 10.87868 5.113646 
1 1 1   17   55    0 o   19.474   2.9527  407.101  111.615  407.101  111.615   0.0000   0.0000   19.474   2.9527  ?   ?       ?      ? 
1 1 1   17   55    1 o   6.4846   3.1026 -117.1647  110.736 -117.1647  110.736   0.0000   0.0000   6.4846   3.1026  ?   ?       ?      ? 
1 1 1   18    0    0 o   92.984   1.1284  8401.33  203.496  8212.16  284.621  8599.15  291.060   91.913   1.5963   94.055   1.5952 -0.000000 0.000000 
1 1 1   18    0    1 f   49.112   0.8938  2344.61   85.041  2424.22  122.414  2270.35  118.227   49.918   1.2651   48.305   1.2628 -0.000000 0.000000 
1 1 1   18    0    2 o   14.345   2.3926  229.888   57.786  243.568   84.672  217.962   79.059   14.798   3.3835   13.892   3.3838 -0.000000 0.000000 
1 1 1   18    0    3 o   4.5869   2.1750 -33.5549   55.151  -7.4118   73.578 -67.0787   83.319   4.8951   3.1898   4.2787   2.9576 -0.000000 0.000000 
1 1 1   18    0    4 o   30.743   1.1351  930.721   66.916  1009.35   92.781  845.490   96.601   32.133   1.4948   29.353   1.7086 -0.000000 0.000000 
1 1 1   18    0    5 o   73.353   1.0130  5231.38  144.103  5206.80  202.352  5256.66  205.263   73.178   1.4257   73.527   1.4394 -0.000000 0.000000 
1 1 1   18    0    6 o  112.581   1.3761 12312.45  299.553 12140.77  406.351 12516.80  443.324  111.730   1.8747  113.432   2.0148 -0.000000 0.000000 
1 1 1   18    0    7 o   81.352   1.0732  6432.61  169.122  6382.80  232.918  6488.15  245.963   81.022   1.4820   81.682   1.5525 -0.000000 0.000000 
1 1 1   18    0    8 o   46.546   1.0060  2107.79   90.630  2051.65  125.081  2169.84  131.500   45.895   1.4070   47.198   1.4383 -0.000000 0.000000 
1 1 1   18    0    9 o   56.936   0.9807  3156.02  107.959  3176.07  147.709  3133.03  158.182   57.136   1.3334   56.736   1.4383 -0.000000 0.000000 
1 1 1   18    0   10 o   69.662   1.0632  4726.42  143.400  4821.77  198.543  4622.44  207.340   70.403   1.4542   68.920   1.5516 -0.000000 0.000000 
1 1 1   18    0   11 o   71.556   1.0789  4947.48  148.395  4735.66  195.540  5235.15  227.877   69.770   1.4452   73.343   1.6023 -0.000000 0.000000 
1 1 1   18    0   12 o   27.149   1.6955  722.142   85.492  683.765  108.094  786.248  139.705   26.247   2.1550   28.050   2.6182 -0.000000 0.000000 
1 1 1   18    0   13 o   17.373   3.0205  366.145   83.381  410.738  103.731  284.721  140.167   19.945   2.8472   14.801   5.3279 -0.000000 0.000000 
1 1 1   18    0   14 o   47.483   1.1791  2226.96  105.994  2343.31  138.519  2062.59  164.639   49.034   1.4582   45.931   1.8534 -0.000000 0.000000 
1 1 1   18    0   15 o   25.084   1.9234  659.926   85.069  733.896  109.220  545.846  135.638   27.203   2.0970   22.966   3.2251 -0.000000 0.000000 
1 1 1   18    0   16 o   28.331   1.6981  793.521   88.568  774.080  110.987  827.609  146.962   27.946   2.0721   28.715   2.6908 -0.000000 0.000000 
1 1 1   18    0   17 o   33.498   1.5319  1105.28   94.363  1093.86  117.331  1126.20  158.779   33.343   1.8253   33.654   2.4607 -0.000000 0.000000 
1 1 1   18    0   18 f   51.084   1.1903  2559.99  114.660  2582.79  146.808  2524.32  183.603   51.426   1.4734   50.742   1.8698 -0.000000 0.000000 
1 1 1   18    0   19 o   34.846   1.3571  1133.12   87.275  987.923  106.417  1431.40  152.527   31.649   1.7443   38.043   2.0796 -0.000000 0.000000 
1 1 1   18    0   20 o   34.378   1.5377  1201.27   96.281  1261.75  120.583  1094.88  159.925   35.765   1.7463   32.991   2.5315 -0.000000 0.000000 
1 1 1   18    0   21 o   38.682   1.3734  1493.03   98.554  1525.42  124.354  1438.33  161.607   39.366   1.6337   37.997   2.2081 -0.000000 0.000000 
1 1 1   18    0   22 o   42.920   1.3361  1861.32  106.135  1968.30  134.745  1686.47  172.270   44.726   1.5562   41.114   2.1724 -0.000000 0.000000 
1 1 1   18    0   23 o   24.069   2.1879  572.736   92.688  492.368  111.786  749.549  165.806   21.632   2.7898   26.506   3.3712 -0.000000 0.000000 
1 1 1   18    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    0 o   41.853   0.6278  1696.08   50.932  1816.19   74.234  1589.26   70.009   43.249   0.8842   40.457   0.8914 2.792320 1.255593 
1 1 1   18    1    1 o   75.824   0.7085  5582.80  104.282  5628.40  148.193  5538.08  146.772   76.130   1.0028   75.517   1.0012 0.6132660 1.417043 
1 1 1   18    1    2 o   24.265   0.8988  572.986   42.235  527.558   59.786  618.240   59.672   23.302   1.3217   25.228   1.2185 -1.925270 1.797691 
1 1 1   18    1    3 o   75.007   0.7091  5459.34  103.197  5324.09  143.206  5605.44  148.842   74.041   0.9964   75.972   1.0093 -1.930565 1.418229 
1 1 1   18    1    4 o   83.969   0.7620  6844.89  124.153  6733.78  172.709  6963.70  178.596   83.265   1.0685   84.673   1.0866 -1.408562 1.523951 
1 1 1   18    1    5 o   74.788   0.7036  5426.73  102.082  5574.92  147.674  5291.11  141.270   75.764   1.0041   73.811   0.9860 1.952850 1.407244 
1 1 1   18    1    6 o   89.396   0.7950  7763.48  137.952  7648.75  195.096  7878.21  195.092   88.735   1.1326   90.057   1.1160 -1.322266 1.590055 
1 1 1   18    1    7 o   55.615   0.6774  3003.91   73.130  3034.42  103.768  2973.81  103.079   55.896   0.9564   55.335   0.9596 0.5612411 1.354808 
1 1 1   18    1    8 o   62.072   0.7022  3742.38   84.604  3744.45  118.812  3740.24  120.503   62.089   0.9858   62.054   1.0004 0.3553391E-01 1.404456 
1 1 1   18    1    9 o   71.469   0.7405  4962.60  102.723  4986.33  144.181  4938.14  146.388   71.644   1.0367   71.295   1.0577 0.3483200 1.481093 
1 1 1   18    1   10 o   53.559   0.7203  2787.14   74.881  2739.54  105.976  2834.60  105.820   53.101   1.0281   54.016   1.0092 -0.9144363 1.440656 
1 1 1   18    1   11 o   29.424   0.9975  852.069   56.111  914.058   74.919  772.876   84.679   30.664   1.2586   28.185   1.5477 2.478827 1.994906 
1 1 1   18    1   12 o   49.615   0.7745  2392.53   74.591  2412.08  105.470  2372.97  105.505   49.818   1.0906   49.412   1.0999 0.4060860 1.548978 
1 1 1   18    1   13 o   38.285   0.8849  1426.20   65.678  1406.90   94.925  1443.92   90.968   38.034   1.2857   38.536   1.2161 -0.5012741 1.769703 
1 1 1   18    1   14 o  103.351   0.9696 10394.62  194.507 10431.32  277.324 10359.10  272.878  103.529   1.3799  103.174   1.3625 0.3554916 1.939234 
1 1 1   18    1   15 o   31.280   1.0301  952.844   62.522  975.560   89.960  931.620   86.956   31.639   1.4647   30.920   1.4488 0.7193832 2.060171 
1 1 1   18    1   16 o   67.596   0.7859  4446.53  103.040  4469.51  149.008  4425.47  142.642   67.760   1.1328   67.433   1.0897 0.3272018 1.571883 
1 1 1   18    1   17 o   66.227   0.7948  4268.57  102.119  4400.79  147.330  4146.32  141.673   67.212   1.1292   65.242   1.1187 1.969940 1.589504 
1 1 1   18    1   18 o   63.090   0.8037  3880.03   98.416  3843.87  137.917  3917.55  140.480   62.791   1.1315   63.388   1.1417 -0.5964317 1.607387 
1 1 1   18    1   19 o   50.543   0.8076  2494.77   79.238  2496.29  111.990  2493.25  112.130   50.559   1.1411   50.527   1.1432 0.3144073E-01 1.615250 
1 1 1   18    1   20 o   33.228   0.9774  1077.16   62.706  1148.81   94.700  1021.21   83.680   34.193   1.4267   32.263   1.3361 1.930569 1.954701 
1 1 1   18    1   21 o   38.575   0.9061  1462.26   67.347  1476.23   90.190  1444.66  101.254   38.811   1.1971   38.340   1.3605 0.4712296 1.812194 
1 1 1   18    1   22 o   31.240   1.0650  964.376   64.317  975.582   95.628  955.120   86.912   31.381   1.5698   31.100   1.4397 0.2806110 2.130028 
1 1 1   18    1   23 o   23.920   1.4095  572.210   65.050  493.016   87.907  668.062   96.712   22.080   2.0510   25.760   1.9341 -3.680014 2.819065 
1 1 1   18    1   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2    0 f   16.084   1.2285  249.484   38.030  299.942   56.337  207.241   51.547   17.567   1.6521   14.600   1.8188 2.967001 2.457088 
1 1 1   18    2    1 o   87.268   0.7799  7396.84  132.105  7299.42  186.826  7494.25  186.824   86.693   1.1102   87.843   1.0956 -1.150116 1.559768 
1 1 1   18    2    2 f   25.042   0.8762  608.464   42.563  577.813   59.133  641.416   61.312   24.388   1.2491   25.696   1.2292 -1.307600 1.752454 
1 1 1   18    2    3 o   51.990   0.6320  2625.03   63.766  2637.74   89.171  2611.74   91.220   52.119   0.8814   51.861   0.9061 0.2582550 1.264077 
1 1 1   18    2    4 o   52.229   0.6294  2648.72   63.812  2629.37   89.710  2668.54   90.788   52.036   0.8881   52.422   0.8922 -0.3860474 1.258867 
1 1 1   18    2    5 o   77.042   0.7244  5764.74  108.328  5735.42  153.337  5793.96  153.061   76.846   1.0279   77.237   1.0209 -0.3915100 1.448727 
1 1 1   18    2    6 o  209.981   1.2731 42885.80  518.938 43271.35  736.006 42504.66  731.791  210.920   1.7976  209.042   1.8034 1.878342 2.546299 
1 1 1   18    2    7 f  117.378   0.9798 13392.65  223.197 13290.00  318.664 13491.52  312.716  116.935   1.4039  117.822   1.3673 -0.8874283 1.959668 
1 1 1   18    2    8 o   62.544   0.6982  3799.92   84.750  3818.14  118.760  3781.01  120.979   62.698   0.9758   62.391   0.9989 0.3066711 1.396411 
1 1 1   18    2    9 o  100.444   0.9229  9805.56  179.912  9760.37  252.042  9852.51  256.895  100.209   1.2957  100.679   1.3145 -0.4697952 1.845707 
1 1 1   18    2   10 f   31.806   0.8976  981.032   55.339  913.834   76.334  1055.47   80.342   30.661   1.2825   32.952   1.2560 -2.291552 1.795127 
1 1 1   18    2   11 o  148.444   1.3059 21456.12  376.239 21166.25  526.369 21758.92  537.986  147.422   1.8393  149.467   1.8542 -2.045563 2.611766 
1 1 1   18    2   12 o   54.988   0.7555  2938.55   80.632  2940.75  113.180  2936.28  114.901   55.010   1.0599   54.967   1.0769 0.4290390E-01 1.510966 
1 1 1   18    2   13 o   43.757   0.8159  1862.00   69.281  1832.51   98.777  1890.56   97.199   43.415   1.1721   44.100   1.1354 -0.6845322 1.631845 
1 1 1   18    2   14 o   61.330   0.7851  3657.70   93.430  3636.51  133.746  3677.90  130.570   61.155   1.1266   61.505   1.0936 -0.3502769 1.570141 
1 1 1   18    2   15 o   40.354   0.8850  1586.35   69.278  1524.76   98.343  1647.02   97.608   39.574   1.2802   41.135   1.2224 -1.561676 1.770063 
1 1 1   18    2   16 o   34.221   0.9626  1140.93   63.924  1165.43   91.803  1117.86   89.062   34.577   1.3677   33.865   1.3548 0.7116814 1.925144 
1 1 1   18    2   17 o   33.696   0.9691  1106.80   63.332  1081.14   87.343  1135.26   91.966   33.287   1.3517   34.105   1.3891 -0.8178444 1.938273 
1 1 1   18    2   18 o   61.015   0.7836  3628.80   92.808  3624.91  131.074  3632.72  131.427   60.982   1.1073   61.047   1.1091 -0.6521606E-01 1.567170 
1 1 1   18    2   19 f   29.489   1.1572  853.902   65.363  679.588   89.873  1049.63   95.233   26.268   1.7626   32.711   1.4998 -6.443094 2.314302 
1 1 1   18    2   20 o   42.812   0.8572  1793.52   71.213  1743.11   99.068  1847.43  102.438   42.191   1.2096   43.433   1.2150 -1.242447 1.714461 
1 1 1   18    2   21 o   28.516   1.1413  802.595   63.149  829.350   90.879  777.615   87.811   28.974   1.6158   28.057   1.6123 0.9171906 2.282578 
1 1 1   18    2   22 o   29.867   1.1065  894.568   63.263  977.917   85.524  793.853   94.012   31.483   1.3994   28.251   1.7143 3.231833 2.212934 
1 1 1   18    2   23 f   14.989   2.2914  249.768   64.532  230.284   95.797  265.955   87.315   14.307   3.4822   15.671   2.9792 -1.363899 4.582729 
1 1 1   18    2   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3    0 o   21.656   0.9968  454.791   41.661  390.892   57.510  525.355   60.435   20.057   1.4771   23.255   1.3388 -3.197508 1.993527 
1 1 1   18    3    1 o   36.719   0.6654  1312.37   47.308  1401.96   66.343  1219.67   67.479   37.998   0.8994   35.440   0.9809 2.557793 1.330832 
1 1 1   18    3    2 o   43.338   0.6371  1823.38   53.536  1832.17   77.695  1815.42   73.873   43.437   0.9215   43.239   0.8801 0.1980209 1.274248 
1 1 1   18    3    3 f   96.460   0.8163  9038.71  152.733  9050.56  211.999  9025.91  220.230   96.528   1.1314   96.393   1.1770 0.1345978 1.632583 
1 1 1   18    3    4 o   58.333   0.6395  3304.43   72.417  3325.12  102.286  3283.64  102.541   58.516   0.9005   58.150   0.9084 0.3663940 1.279091 
1 1 1   18    3    5 o   30.773   0.8030  919.739   47.960  938.272   68.254  901.663   67.406   31.079   1.1313   30.467   1.1397 0.6125298 1.605914 
1 1 1   18    3    6 f   20.731   1.5483  418.752   62.022  471.893   88.825  368.193   86.641   22.018   2.0782   19.443   2.2956 2.575314 3.096570 
1 1 1   18    3    7 o   90.049   0.8210  7878.06  143.509  7934.15  202.888  7821.90  203.017   90.371   1.1565   89.728   1.1656 0.6422195 1.641996 
1 1 1   18    3    8 o  112.631   0.9712 12330.34  212.329 12335.68  298.669 12324.89  301.914  112.656   1.3657  112.605   1.3812 0.5110931E-01 1.942418 
1 1 1   18    3    9 o   42.594   0.7530  1764.49   62.151  1800.45   85.950  1725.07   89.979   43.050   1.0285   42.137   1.1000 0.9134636 1.505961 
1 1 1   18    3   10 o   36.568   0.8064  1300.11   57.152  1311.62   78.815  1287.34   82.998   36.740   1.1051   36.396   1.1748 0.3442612 1.612864 
1 1 1   18    3   11 o   52.364   0.7662  2664.32   77.849  2776.64  110.788  2554.76  109.416   53.455   1.0677   51.273   1.0993 2.181976 1.532463 
1 1 1   18    3   12 f  125.371   1.1217 15291.47  272.910 15635.15  391.146 14965.46  380.961  126.743   1.5898  124.000   1.5827 2.742462 2.243310 
1 1 1   18    3   13 o   60.351   0.7620  3539.09   89.255  3486.12  124.733  3594.68  127.772   59.889   1.0729   60.813   1.0824 -0.9245148 1.524032 
1 1 1   18    3   14 o  105.262   0.9849 10783.95  201.243 10741.29  283.096 10827.53  286.130  105.052   1.3882  105.471   1.3975 -0.4188766 1.969852 
1 1 1   18    3   15 o   81.714   0.8423  6496.85  133.583  6403.45  187.013  6594.13  190.875   81.115   1.1877   82.312   1.1946 -1.197556 1.684540 
1 1 1   18    3   16 o   27.232   1.1635  728.248   61.160  795.426   85.091  656.454   87.966   28.549   1.5354   25.915   1.7487 2.634594 2.327077 
1 1 1   18    3   17 o   58.023   0.7919  3279.49   89.196  3300.02  126.848  3259.41  125.448   58.202   1.1227   57.844   1.1172 0.3581924 1.583897 
1 1 1   18    3   18 o   31.778   1.0320  988.296   63.447  976.849   93.310  998.138   86.528   31.596   1.5213   31.959   1.3947 -0.3630447 2.063927 
1 1 1   18    3   19 o   36.446   0.9177  1299.89   64.911  1312.27   91.086  1287.11   92.526   36.626   1.2811   36.266   1.3143 0.3601074 1.835413 
1 1 1   18    3   20 o   28.081   1.1639  777.834   63.368  774.202   87.443  781.849   91.959   28.023   1.6075   28.139   1.6835 -0.1168976 2.327720 
1 1 1   18    3   21 o   27.699   1.1368  764.439   60.571  680.455   88.251  839.240   83.286   26.208   1.7347   29.190   1.4699 -2.981138 2.273669 
1 1 1   18    3   22 f   26.525   1.2650  701.279   65.112  697.461   90.858  705.310   93.356   26.458   1.7690   26.591   1.8086 -0.1329594 2.529904 
1 1 1   18    3   23 o   16.005   2.3409  286.244   70.345  247.135  109.073  314.096   92.047   14.659   3.8012   17.350   2.7330 -2.691394 4.681712 
1 1 1   18    3   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4    0 o  172.281   1.2153 28851.74  406.400 28842.29  571.811 28861.38  577.708  172.254   1.7101  172.308   1.7272 -0.5439758E-01 2.430544 
1 1 1   18    4    1 o   33.425   0.7011  1085.55   45.407  1095.15   62.518  1074.84   66.059   33.582   0.9590   33.268   1.0229 0.3140221 1.402166 
1 1 1   18    4    2 o   40.078   0.6408  1558.25   49.797  1591.41   72.397  1528.47   68.603   40.482   0.9213   39.674   0.8908 0.8079834 1.281501 
1 1 1   18    4    3 o   52.615   0.6375  2688.49   65.069  2695.96   90.572  2680.51   93.544   52.691   0.8855   52.539   0.9172 0.1521606 1.274915 
1 1 1   18    4    4 o   25.944   0.8761  653.830   44.115  649.030   61.835  658.806   62.958   25.847   1.2324   26.041   1.2455 -0.1936760 1.752144 
1 1 1   18    4    5 o  107.701   0.8949 11266.14  187.070 11045.52  261.753 11496.48  267.455  106.624   1.2647  108.779   1.2666 -2.154671 1.789872 
1 1 1   18    4    6 o  126.967   0.9966 15672.00  245.562 15384.35  349.411 15952.74  345.182  125.813   1.4307  128.121   1.3879 -2.308228 1.993286 
1 1 1   18    4    7 o   84.509   0.7829  6934.48  128.271  6872.90  176.772  7002.96  186.417   84.115   1.0826   84.904   1.1311 -0.7889404 1.565704 
1 1 1   18    4    8 o   64.466   0.6953  4036.56   86.919  4036.36  120.256  4036.77  125.773   64.465   0.9610   64.466   1.0051 -0.1136780E-02 1.390552 
1 1 1   18    4    9 o   74.753   0.7685  5429.42  111.504  5511.32  157.779  5347.70  157.602   75.317   1.0792   74.189   1.0943 1.127480 1.536951 
1 1 1   18    4   10 o   68.044   0.7403  4497.65   97.695  4480.40  135.117  4516.54  141.423   67.909   1.0250   68.180   1.0686 -0.2705002 1.480678 
1 1 1   18    4   11 o   79.858   0.8052  6195.21  124.770  6102.85  173.497  6294.14  179.563   79.243   1.1279   80.473   1.1495 -1.230217 1.610413 
1 1 1   18    4   12 o   27.078   1.0941  712.669   57.473  744.584   82.901  683.135   79.750   27.661   1.5439   26.494   1.5506 1.166275 2.188202 
1 1 1   18    4   13 o   14.241   2.1521  206.756   57.523  209.661   78.077  203.307   85.071   14.371   2.8988   14.111   3.1817 0.2601652 4.304222 
1 1 1   18    4   14 o   86.689   0.8668  7309.30  145.857  7401.78  207.485  7218.96  205.080   87.231   1.2253   86.147   1.2264 1.084221 1.733601 
1 1 1   18    4   15 o   68.840   0.7993  4611.05  106.808  4671.14  151.297  4551.35  150.803   69.288   1.1249   68.392   1.1359 0.8958282 1.598630 
1 1 1   18    4   16 o   50.760   1.0280  2497.57   93.449  2472.95  112.022  2553.89  169.458   50.399   1.1450   51.121   1.7076 -0.7221642 2.055996 
1 1 1   18    4   17 f   57.859   0.7971  3262.23   89.501  3311.60  125.729  3211.50  127.437   58.306   1.1109   57.411   1.1435 0.8941269 1.594232 
1 1 1   18    4   18 f   42.981   0.8617  1803.64   71.841  1725.22  101.779  1881.51  101.419   42.044   1.2470   43.918   1.1896 -1.873951 1.723463 
1 1 1   18    4   19 o   49.451   0.7976  2387.89   76.559  2410.99  108.786  2365.22  107.763   49.688   1.1279   49.214   1.1280 0.4739952 1.595157 
1 1 1   18    4   20 o   37.365   0.9420  1371.19   68.251  1304.85   96.933  1436.41   96.115   36.456   1.3697   38.274   1.2937 -1.817188 1.884074 
1 1 1   18    4   21 o   37.941   0.9183  1405.58   67.406  1320.41   90.861  1509.82  100.522   36.678   1.2762   39.204   1.3209 -2.526882 1.836664 
1 1 1   18    4   22 o   28.341   1.1988  794.511   65.768  877.616   96.872  723.453   89.576   29.715   1.6794   26.967   1.7112 2.747911 2.397595 
1 1 1   18    4   23 o   18.323   2.0918  363.336   71.290  316.052  105.684  402.818   96.571   16.899   3.3401   19.748   2.5192 -2.849258 4.183619 
1 1 1   18    4   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5    0 o   55.117   0.6261  2944.66   66.931  3107.75   96.916  2795.95   92.546   56.574   0.8825   53.661   0.8885 2.913174 1.252260 
1 1 1   18    5    1 o  114.135   0.9239 12658.02  204.429 12698.53  282.228 12613.30  296.515  114.330   1.2717  113.940   1.3406 0.3901367 1.847807 
1 1 1   18    5    2 o   47.922   0.6373  2229.28   59.262  2324.49   84.611  2137.60   83.030   48.926   0.8909   46.918   0.9117 2.008541 1.274671 
1 1 1   18    5    3 o  120.666   0.9521 14147.53  222.795 14146.52  308.250 14148.63  322.385  120.664   1.3160  120.667   1.3763 -0.3044128E-02 1.904244 
1 1 1   18    5    4 o   90.808   0.7933  8009.87  139.803  8013.23  195.592  8006.37  199.901   90.828   1.1093   90.788   1.1343 0.4046631E-01 1.586581 
1 1 1   18    5    5 o   95.058   0.8151  8775.42  150.379  9010.99  214.434  8547.46  210.947   96.313   1.1469   93.803   1.1585 2.510727 1.630208 
1 1 1   18    5    6 o   82.623   0.7729  6628.21  123.933  6800.02  177.403  6464.43  173.209   83.669   1.0923   81.578   1.0938 2.090744 1.545779 
1 1 1   18    5    7 o   30.469   1.0558  890.686   56.798  874.554   67.225  930.929  106.178   30.003   1.1543   30.935   1.7681 -0.9320450 2.111540 
1 1 1   18    5    8 o   85.576   0.8041  7115.95  133.494  7147.45  185.911  7082.43  191.804   85.773   1.1166   85.379   1.1573 0.3941116 1.608131 
1 1 1   18    5    9 o   37.172   0.7736  1342.55   55.809  1341.18   79.593  1343.87   78.276   37.153   1.1036   37.191   1.0842 -0.3804016E-01 1.547106 
1 1 1   18    5   10 o   40.482   0.7894  1588.12   61.607  1557.35   82.075  1627.82   93.240   40.036   1.0561   40.927   1.1736 -0.8908691 1.578814 
1 1 1   18    5   11 o   13.942   1.9623  196.902   51.224  193.318   73.320  200.320   71.595   13.807   2.8308   14.077   2.7185 -0.2704201 3.924698 
1 1 1   18    5   12 o   81.039   0.8234  6381.95  129.509  6505.64  184.990  6263.06  181.370   81.809   1.1649   80.269   1.1640 1.539642 1.646770 
1 1 1   18    5   13 o   35.273   0.9313  1210.34   63.693  1213.19   88.003  1207.21   92.300   35.318   1.2836   35.227   1.3498 0.9104919E-01 1.862675 
1 1 1   18    5   14 o   21.444   1.4357  448.375   59.717  470.333   86.420  428.308   82.613   21.946   2.0286   20.942   2.0322 1.003611 2.871413 
1 1 1   18    5   15 o   41.543   0.8341  1677.49   67.211  1773.78   96.886  1588.17   93.317   42.692   1.1691   40.394   1.1901 2.297390 1.668255 
1 1 1   18    5   16 o   15.873   1.9334  250.333   57.825  301.731   86.055  208.018   78.081   17.499   2.5334   14.247   2.9213 3.251297 3.866781 
1 1 1   18    5   17 o   11.883   2.2941  143.914   57.584   78.041   81.617  209.206   81.256   9.5353   3.4418   14.231   3.0341 -4.695725 4.588244 
1 1 1   18    5   18 o   72.835   0.8061  5171.14  113.917  5392.49  162.675  4958.14  159.577   74.368   1.1269   71.303   1.1529 3.065498 1.612150 
1 1 1   18    5   19 o   24.507   1.3233  592.485   62.855  547.912   87.627  639.725   90.211   23.548   1.9170   25.466   1.8249 -1.917736 2.646681 
1 1 1   18    5   20 o   31.106   1.0841  938.987   64.955  1072.30   99.613  840.370   85.675   32.993   1.5554   29.220   1.5105 3.772921 2.168122 
1 1 1   18    5   21 o   11.680   2.3742  142.632   61.745  220.667   86.895   63.047   87.754   14.323   3.2054   9.0370   3.5031 5.285555 4.748333 
1 1 1   18    5   22 o   31.454   1.0736  966.327   65.113  844.558   86.696  1123.89   98.617   29.206   1.5292   33.701   1.5074 -4.494759 2.147268 
1 1 1   18    5   23 o   13.701   2.6501  212.470   70.999  229.518  115.397  202.085   90.063   14.006   4.0285   13.395   3.4444 0.6116400 5.300290 
1 1 1   18    5   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6    0 o  135.917   1.0161 17954.90  267.744 18046.63  369.886 17853.93  388.062  136.286   1.3981  135.548   1.4748 0.7376709 2.032227 
1 1 1   18    6    1 o   26.491   0.8061  685.201   41.234  741.634   57.196  624.131   59.500   27.633   1.0663   25.348   1.2092 2.285822 1.612195 
1 1 1   18    6    2 o  134.085   1.0172 17477.00  264.268 17560.54  363.224 17383.05  385.207  134.430   1.3919  133.739   1.4838 0.6916962 2.034464 
1 1 1   18    6    3 o   53.056   0.6276  2734.10   64.613  2760.74   90.437  2706.32   92.348   53.320   0.8737   52.792   0.9011 0.5289192 1.255189 
1 1 1   18    6    4 o   86.629   0.7851  7290.41  132.000  7365.91  185.684  7213.28  187.685   87.083   1.0984   86.174   1.1220 0.9083481 1.570163 
1 1 1   18    6    5 o  147.541   1.1477 21170.23  328.530 20954.29  470.987 21374.87  458.487  146.804   1.6528  148.279   1.5929 -1.475220 2.295398 
1 1 1   18    6    6 o  150.904   1.1692 22145.66  341.486 22174.49  465.506 22112.06  502.480  151.021   1.5879  150.786   1.7167 0.2345428 2.338470 
1 1 1   18    6    7 o  125.983   1.0310 15435.53  251.599 15538.29  345.300 15319.23  367.353  126.437   1.4069  125.529   1.5076 0.9077454 2.062056 
1 1 1   18    6    8 o   52.455   0.7118  2670.14   72.350  2631.89   99.124  2713.75  105.845   52.054   0.9810   52.855   1.0316 -0.8012085 1.423566 
1 1 1   18    6    9 o   78.832   0.7826  6038.66  119.758  6076.24  168.833  6000.60  169.898   79.080   1.0998   78.585   1.1137 0.4948807 1.565266 
1 1 1   18    6   10 o   67.714   0.7492  4456.71   98.432  4525.55  137.695  4384.76  140.764   68.250   1.0393   67.177   1.0795 1.072662 1.498471 
1 1 1   18    6   11 o   50.180   0.7349  2448.51   71.539  2516.87  100.309  2377.74  102.056   50.894   1.0153   49.465   1.0629 1.429352 1.469888 
1 1 1   18    6   12 o  110.959   1.0131 11972.71  218.148 11791.04  304.263 12164.89  312.935  110.095   1.4237  111.823   1.4416 -1.728516 2.026134 
1 1 1   18    6   13 o   62.058   0.7599  3743.56   91.539  3761.66  128.948  3725.18  129.971   62.210   1.0678   61.906   1.0815 0.3034859 1.519850 
1 1 1   18    6   14 o   12.450   2.2568  155.486   54.786  189.907   82.942  128.843   72.971   13.615   3.1935   11.284   3.1896 2.330626 4.513546 
1 1 1   18    6   15 o   88.991   0.8778  7710.80  151.609  7678.21  215.951  7742.47  212.897   88.803   1.2527   89.179   1.2298 -0.3758698 1.755520 
1 1 1   18    6   16 o   54.131   0.7728  2853.15   81.179  2802.52  115.699  2902.23  113.929   53.655   1.1109   54.606   1.0748 -0.9513626 1.545694 
1 1 1   18    6   17 o   58.759   0.7761  3363.53   88.513  3335.59  125.599  3391.09  124.757   58.515   1.1058   59.003   1.0892 -0.4879799 1.552144 
1 1 1   18    6   18 f   18.561   1.6085  341.109   57.836  333.808   83.973  347.698   79.774   18.360   2.3562   18.763   2.1903 -0.4034958 3.216985 
1 1 1   18    6   19 o   35.472   0.9610  1233.19   66.131  1262.62   92.704  1202.69   94.366   35.910   1.3299   35.034   1.3876 0.8761482 1.921978 
1 1 1   18    6   20 o   38.319   0.9319  1442.41   69.223  1508.94   97.131  1373.75   98.681   39.231   1.2754   37.407   1.3590 1.823982 1.863739 
1 1 1   18    6   21 o   47.586   0.8418  2220.24   77.722  2211.10  111.423  2228.90  108.467   47.483   1.2088   47.689   1.1717 -0.2055664 1.683501 
1 1 1   18    6   22 o   25.257   1.3648  640.643   66.735  681.879   93.422  597.676   95.363   26.124   1.8422   24.390   2.0142 1.734077 2.729592 
1 1 1   18    6   23 o   9.9832   2.5593   67.018   82.403  190.476  101.855 -166.8758  140.195   12.871   3.8088   7.0954   3.4196 5.775579 5.118639 
1 1 1   18    7    0 o   71.976   0.6933  5030.87   96.850  5142.54  137.310  4920.31  136.624   72.771   0.9720   71.180   0.9888 1.590454 1.386560 
1 1 1   18    7    1 o   84.915   0.7489  7004.37  123.423  7112.27  173.896  6894.84  175.206   85.575   1.0468   84.255   1.0712 1.319534 1.497799 
1 1 1   18    7    2 o  126.796   1.0586 15616.75  260.482 16090.52  373.346 15167.39  363.601  128.669   1.4948  124.923   1.4994 3.745972 2.117197 
1 1 1   18    7    3 o   86.884   0.7692  7332.29  129.716  7346.38  182.399  7317.88  184.512   86.969   1.0804   86.799   1.0951 0.1697159 1.538343 
1 1 1   18    7    4 o   21.360   1.3972  453.380   52.297  466.768   62.338  421.573   96.089   21.915   1.4654   20.804   2.3793 1.110790 2.794385 
1 1 1   18    7    5 o   82.428   0.7567  6601.52  121.043  6769.41  170.712  6431.77  171.654   83.484   1.0534   81.373   1.0867 2.110519 1.513465 
1 1 1   18    7    6 o   58.055   0.6847  3275.27   77.089  3439.47  109.059  3111.30  108.982   59.511   0.9441   56.599   0.9919 2.912014 1.369375 
1 1 1   18    7    7 o   68.833   0.7182  4597.91   95.752  4541.35  130.815  4663.19  140.534   68.379   0.9855   69.287   1.0449 -0.9081497 1.436335 
1 1 1   18    7    8 o   21.486   1.2554  450.240   52.029  459.053   70.141  439.457   77.580   21.724   1.6633   21.249   1.8808 0.4752007 2.510792 
1 1 1   18    7    9 o   53.271   0.7096  2758.79   73.320  2813.36  102.228  2700.98  105.218   53.815   0.9786   52.727   1.0280 1.088146 1.419295 
1 1 1   18    7   10 o   33.040   0.8952  1061.04   57.399  1092.27   81.509  1030.32   80.845   33.522   1.2526   32.557   1.2792 0.9654007 1.790359 
1 1 1   18    7   11 o  102.675   0.9502 10247.03  189.313 10071.06  263.123 10435.88  272.585  101.763   1.3320  103.587   1.3556 -1.823135 1.900491 
1 1 1   18    7   12 o   38.029   0.8600  1403.36   63.312  1372.25   85.997  1440.19   93.552   37.572   1.1791   38.487   1.2522 -0.9150314 1.719993 
1 1 1   18    7   13 o   38.042   0.8276  1407.10   61.115  1410.14   86.436  1404.06   86.423   38.083   1.1692   38.001   1.1716 0.8229828E-01 1.655201 
1 1 1   18    7   14 o   10.928   2.3406  117.464   54.590   91.625   76.349  144.491   78.085   9.9410   3.3450   11.915   3.2748 -1.973991 4.681122 
1 1 1   18    7   15 o   32.898   0.9679  1057.17   61.577  1090.86   84.347  1018.73   90.106   33.467   1.2983   32.329   1.4358 1.137814 1.935760 
1 1 1   18    7   16 o   25.137   1.1634  606.433   56.167  545.245   73.205  694.003   87.576   23.628   1.5961   26.646   1.6931 -3.018541 2.326840 
1 1 1   18    7   17 o   26.154   1.2091  671.200   61.109  749.765   86.928  594.443   85.922   27.682   1.6177   24.626   1.7974 3.056627 2.418185 
1 1 1   18    7   18 o   22.794   1.3122  510.998   57.952  506.949   84.399  514.610   79.715   22.699   1.9154   22.889   1.7941 -0.1898937 2.624464 
1 1 1   18    7   19 o   39.783   0.8319  1546.68   64.236  1577.46   91.371  1516.60   90.326   40.175   1.1716   39.391   1.1813 0.7848587 1.663764 
1 1 1   18    7   20 o   9.5683   2.1977   45.923   60.043 -80.0706   82.461  188.100   87.597   5.9278   2.7892   13.209   3.3971 -7.281160 4.395436 
1 1 1   18    7   21 o   16.921   1.8968  299.286   59.947  328.428   81.447  264.836   88.552   18.046   2.3250   15.796   2.9976 2.250451 3.793603 
1 1 1   18    7   22 o   6.5811   2.1140 -43.6962   59.069  -5.2898   88.165 -74.9775   79.568   7.3600   3.2258   5.8022   2.7330 1.557831 4.227920 
1 1 1   18    7   23 o   19.331   2.5474  439.789   88.705  514.317  113.993  325.382  141.235   22.222   2.6426   16.440   4.3559 5.782255 5.094838 
1 1 1   18    8    0 o   94.989   0.8036  8766.49  148.119  8865.50  207.317  8663.27  211.695   95.538   1.1179   94.440   1.1548 1.098228 1.607199 
1 1 1   18    8    1 o   50.894   0.6195  2517.42   61.150  2608.29   85.848  2423.84   87.124   51.828   0.8533   49.961   0.8983 1.867325 1.239008 
1 1 1   18    8    2 o   82.781   0.7407  6652.73  118.962  6571.36  165.237  6740.28  171.408   82.256   1.0348   83.305   1.0600 -1.049149 1.481360 
1 1 1   18    8    3 o   24.773   0.9188  606.066   43.436  704.546   59.920  497.006   63.057   26.932   1.1462   22.615   1.4364 4.317024 1.837644 
1 1 1   18    8    4 o  122.907   1.0184 14688.99  242.828 15052.14  340.777 14314.39  346.107  124.454   1.4106  121.359   1.4692 3.094719 2.036710 
1 1 1   18    8    5 o  117.460   0.9549 13396.73  217.590 13128.42  301.385 13688.83  314.470  116.234   1.3357  118.686   1.3649 -2.451859 1.909787 
1 1 1   18    8    6 o  100.255   0.8744  9762.13  169.936  9697.61  233.854  9834.32  247.367   99.907   1.2058  100.603   1.2667 -0.6964264 1.748852 
1 1 1   18    8    7 o   84.941   0.8163  7006.92  134.561  6894.22  187.729  7126.00  192.974   84.239   1.1480   85.642   1.1608 -1.403358 1.632594 
1 1 1   18    8    8 o  116.606   0.9839 13220.83  222.463 13287.15  307.898 13148.39  321.781  116.917   1.3566  116.296   1.4254 0.6210556 1.967788 
1 1 1   18    8    9 o   52.194   0.7199  2645.14   72.814  2622.01   99.843  2671.42  106.420   51.952   0.9900   52.436   1.0455 -0.4844093 1.439877 
1 1 1   18    8   10 o   99.986   0.9299  9718.96  180.482  9771.23  255.068  9666.55  255.411  100.256   1.3106   99.716   1.3195 0.5395432 1.859793 
1 1 1   18    8   11 o   92.011   0.8802  8227.38  157.145  8095.48  218.647  8368.31  226.008   91.250   1.2344   92.772   1.2550 -1.522247 1.760312 
1 1 1   18    8   12 o   84.925   0.8325  7011.28  137.243  7020.01  193.372  7002.42  194.818   84.979   1.1722   84.871   1.1825 0.1076813 1.665076 
1 1 1   18    8   13 o   70.114   0.7727  4777.68  105.141  4728.47  146.884  4829.39  150.568   69.745   1.0849   70.483   1.1005 -0.7388077 1.545351 
1 1 1   18    8   14 o   7.1833   2.1781  -6.8872   55.329   20.053   74.896 -39.2547   82.093   7.6684   3.1459   6.6983   3.0131 0.9701729 4.356104 
1 1 1   18    8   15 o   67.414   0.7896  4419.69  103.286  4325.83  143.668  4520.09  148.595   66.674   1.1100   68.153   1.1232 -1.478508 1.579153 
1 1 1   18    8   16 o   28.276   1.1376  780.662   62.382  735.385   87.202  828.122   89.278   27.433   1.6375   29.118   1.5795 -1.685204 2.275125 
1 1 1   18    8   17 o   43.088   0.8592  1810.40   71.820  1726.70  101.048  1895.86  102.097   42.078   1.2371   44.098   1.1927 -2.020340 1.718407 
1 1 1   18    8   18 o   16.611   1.9906  316.022   57.694  454.343   77.290  141.957   86.703   21.494   1.8524   11.728   3.5240 9.766151 3.981232 
1 1 1   18    8   19 o   35.735   0.9307  1250.40   64.485  1170.90   90.435  1332.64   91.976   34.572   1.3476   36.898   1.2841 -2.326221 1.861428 
1 1 1   18    8   20 o   6.8197   2.0851 -22.2202   53.649   38.889   77.402 -78.7237   74.428   8.0878   3.2416   5.5516   2.6236 2.536242 4.170249 
1 1 1   18    8   21 o   17.736   1.8280  320.210   62.896  317.543   87.319  323.085   90.672   17.672   2.5455   17.800   2.6242 -0.1281166 3.655911 
1 1 1   18    8   22 o   15.389   2.1470  255.285   62.556  290.680   86.412  216.311   90.677   16.790   2.6512   13.987   3.3778 2.803657 4.294056 
1 1 1   18    8   23 o   20.866   2.2456  458.342   89.191  420.954  113.777  517.946  143.655   19.929   2.9411   21.803   3.3942 -1.874180 4.491199 
1 1 1   18    9    0 o   67.972   0.6626  4486.66   87.421  4485.95  123.463  4487.38  123.802   67.967   0.9358   67.978   0.9382 -0.1071167E-01 1.325110 
1 1 1   18    9    1 o   76.643   0.7105  5704.29  105.662  5687.04  147.171  5722.64  151.793   76.524   0.9907   76.762   1.0187 -0.2378845 1.421021 
1 1 1   18    9    2 o  124.896   1.0232 15158.67  247.719 15142.73  341.354 15176.41  360.047  124.831   1.4087  124.961   1.4843 -0.1304016 2.046350 
1 1 1   18    9    3 o   81.527   0.9079  6410.66  133.839  6329.99  161.593  6586.90  238.843   80.731   1.0311   82.323   1.4946 -1.592094 1.815785 
1 1 1   18    9    4 o   40.797   0.6686  1616.01   52.931  1628.14   76.000  1604.58   73.762   40.945   0.9562   40.648   0.9348 0.2967720 1.337237 
1 1 1   18    9    5 o  139.339   1.1124 18887.11  300.400 19091.72  414.394 18660.51  436.095  140.142   1.5233  138.536   1.6216 1.605927 2.224876 
1 1 1   18    9    6 o  161.822   1.3485 25472.83  421.822 25387.16  570.590 25576.07  626.403  161.541   1.8196  162.103   1.9907 -0.5626373 2.696975 
1 1 1   18    9    7 o   52.358   0.6859  2663.21   69.691  2702.18   97.989  2623.32   99.137   52.746   0.9570   51.970   0.9827 0.7763710 1.371714 
1 1 1   18    9    8 o   47.734   0.6967  2213.20   64.558  2191.17   91.049  2235.48   91.551   47.495   0.9876   47.973   0.9831 -0.4780464 1.393479 
1 1 1   18    9    9 o   43.640   0.7594  1848.07   64.111  1823.35   86.850  1877.66   95.035   43.321   1.0328   43.958   1.1137 -0.6368713 1.518889 
1 1 1   18    9   10 o  125.218   1.1168 15253.85  271.440 15174.71  381.785 15334.75  385.999  124.891   1.5748  125.546   1.5839 -0.6551285 2.233519 
1 1 1   18    9   11 o   28.702   1.0497  806.087   58.151  869.093   80.341  736.759   84.275   29.891   1.3846   27.513   1.5780 2.378567 2.099319 
1 1 1   18    9   12 o   46.399   0.7536  2092.61   67.844  2011.60   95.679  2174.54   96.215   45.494   1.0834   47.303   1.0478 -1.808674 1.507220 
1 1 1   18    9   13 o   65.780   0.7777  4206.53   99.257  4207.38  138.209  4205.63  142.636   65.789   1.0822   65.772   1.1172 0.1699829E-01 1.555419 
1 1 1   18    9   14 o   31.593   1.0246  976.472   62.529  1068.89   87.490  879.970   89.401   33.134   1.3602   30.051   1.5326 3.082972 2.049152 
1 1 1   18    9   15 o   16.127   1.9452  261.651   59.159  229.444   83.967  293.395   83.363   14.980   2.9923   17.273   2.4862 -2.293352 3.890342 
1 1 1   18    9   16 o   25.754   1.2011  647.820   59.995  686.802   86.328  611.404   83.438   26.505   1.6779   25.003   1.7191 1.501617 2.402228 
1 1 1   18    9   17 o   30.067   1.0293  879.575   59.941  826.170   81.529  942.402   88.430   29.079   1.4443   31.054   1.4669 -1.975037 2.058625 
1 1 1   18    9   18 o   15.749   2.0106  258.253   58.968  307.434   80.933  202.601   86.094   17.602   2.3686   13.896   3.2497 3.706054 4.021291 
1 1 1   18    9   19 o   26.373   1.2140  692.520   61.470  754.799   83.674  619.501   90.601   27.710   1.5555   25.036   1.8643 2.674889 2.428015 
1 1 1   18    9   20 o   11.838   2.3285  150.219   57.019  191.242   79.162  105.989   82.198   13.395   3.1050   10.282   3.4707 3.112998 4.656904 
1 1 1   18    9   21 o   28.325   1.1478  790.914   62.790  909.456   91.733  686.419   86.127   30.335   1.5578   26.314   1.6861 4.021358 2.295593 
1 1 1   18    9   22 o   8.2179   2.4077   27.724   64.276  -9.3296   90.873   64.820   90.925   7.3775   3.2529   9.0582   3.5507 -1.680618 4.815487 
1 1 1   18    9   23 o   9.5898   2.6419   59.491   83.229  151.669  101.723 -127.1872  144.761   11.592   3.8608   7.5879   3.6072 4.003833 5.283744 
1 1 1   18   10    0 o  103.888   0.8533 10485.74  171.942 10516.54  238.583 10452.47  248.015  104.049   1.1812  103.727   1.2317 0.3212280 1.706610 
1 1 1   18   10    1 o  116.973   0.9225 13282.01  209.059 13109.13  286.058 13480.21  306.286  116.160   1.2686  117.786   1.3396 -1.626015 1.844959 
1 1 1   18   10    2 o   96.692   0.8297  9085.39  155.676  9257.04  218.592  8908.73  221.759   97.621   1.1535   95.764   1.1929 1.856865 1.659431 
1 1 1   18   10    3 o   61.478   0.6569  3670.75   78.389  3703.00  110.297  3637.82  111.428   61.751   0.9201   61.205   0.9379 0.5465088 1.313875 
1 1 1   18   10    4 f   81.648   0.7657  6471.25  121.305  6342.36  168.589  6609.62  174.674   80.806   1.0748   82.490   1.0908 -1.684059 1.531362 
1 1 1   18   10    5 o   79.236   0.7569  6096.12  116.235  6057.98  159.676  6139.11  169.528   78.974   1.0416   79.498   1.0985 -0.5237961 1.513826 
1 1 1   18   10    6 f  120.618   1.0306 14141.17  241.295 14387.02  342.847 13899.86  339.661  121.658   1.4518  119.579   1.4633 2.078934 2.061263 
1 1 1   18   10    7 o   96.524   0.8854  9057.72  165.811  9223.20  232.236  8885.64  236.816   97.426   1.2280   95.622   1.2758 1.803886 1.770780 
1 1 1   18   10    8 o   99.888   0.8812  9693.49  170.675  9626.55  235.484  9767.57  247.723   99.528   1.2189  100.248   1.2730 -0.7206192 1.762416 
1 1 1   18   10    9 o   44.308   0.7528  1911.97   64.582  1991.37   89.419  1825.39   93.376   45.274   1.0175   43.342   1.1098 1.931728 1.505642 
1 1 1   18   10   10 o   69.127   0.9496  4703.49  117.543  4798.29  141.948  4496.68  209.663   70.274   1.0406   67.981   1.5888 2.292786 1.899225 
1 1 1   18   10   11 o   94.112   0.8889  8611.71  162.383  8653.10  230.224  8570.74  229.069   94.337   1.2572   93.887   1.2569 0.4499893 1.777721 
1 1 1   18   10   12 o   12.569   2.2332  162.753   55.107  196.074   75.889  125.582   80.153   13.889   2.9080   11.250   3.3901 2.639415 4.466476 
1 1 1   18   10   13 o  129.216   1.1565 16264.39  290.071 16213.37  408.861 16316.10  411.598  129.013   1.6326  129.419   1.6384 -0.4064178 2.312916 
1 1 1   18   10   14 o   39.237   0.8764  1498.56   66.736  1471.54   94.688  1525.24   94.073   38.884   1.2545   39.590   1.2241 -0.7057419 1.752756 
1 1 1   18   10   15 o   63.652   0.7609  3940.26   93.938  3989.62  136.064  3895.30  129.851   64.030   1.0947   63.274   1.0572 0.7558937 1.521842 
1 1 1   18   10   16 o   10.832   2.2741  117.884   52.643   81.981   75.279  152.246   73.645   9.5237   3.3179   12.140   3.1109 -2.616438 4.548209 
1 1 1   18   10   17 f   34.705   0.9090  1175.18   61.037  1176.50   90.068  1174.05   83.002   34.716   1.3365   34.695   1.2324 0.2125931E-01 1.818019 
1 1 1   18   10   18 o   27.896   1.1132  763.295   60.259  752.152   85.982  774.052   84.475   27.692   1.5995   28.101   1.5486 -0.4094734 2.226367 
1 1 1   18   10   19 o   35.906   0.9449  1268.27   65.389  1308.67   88.226  1219.02   97.401   36.567   1.2429   35.246   1.4236 1.320374 1.889839 
1 1 1   18   10   20 o   12.097   2.4182  154.867   60.576  112.655   83.861  200.925   87.597   10.528   3.5054   13.666   3.3321 -3.137949 4.836406 
1 1 1   18   10   21 o   12.496   2.1666  168.664   58.568   66.467   85.204  260.206   80.640   9.0278   3.4647   15.964   2.6023 -6.935786 4.333117 
1 1 1   18   10   22 o   22.088   1.5295  500.207   63.589  644.958   90.857  361.230   89.027   25.388   1.8436   18.788   2.4410 6.599268 3.058990 
1 1 1   18   10   23 o   18.583   2.6071  384.025   89.179  341.429  114.048  451.052  143.062   17.395   3.4987   19.772   3.8660 -2.376194 5.214118 
1 1 1   18   11    0 o   66.181   0.6562  4248.08   84.162  4167.21  115.333  4340.20  123.092   65.508   0.9070   66.853   0.9485 -1.344292 1.312355 
1 1 1   18   11    1 o  112.507   0.9076 12296.04  198.018 12258.23  273.712 12337.57  286.827  112.328   1.2553  112.686   1.3112 -0.3580246 1.815245 
1 1 1   18   11    2 o   84.669   0.7560  6962.62  124.136  6956.83  171.831  6968.96  179.533   84.633   1.0459   84.704   1.0919 -0.7115936E-01 1.511994 
1 1 1   18   11    3 o   40.350   0.6873  1583.65   53.609  1610.25   72.935  1552.39   79.065   40.720   0.9227   39.980   1.0188 0.7407265 1.374511 
1 1 1   18   11    4 o  124.978   1.0270 15185.50  248.822 15268.06  343.616 15094.50  360.785  125.340   1.4123  124.616   1.4915 0.7238388 2.054006 
1 1 1   18   11    5 o  155.488   1.2051 23520.88  362.952 23640.08  497.780 23385.56  530.350  155.920   1.6446  155.057   1.7620 0.8629913 2.410289 
1 1 1   18   11    6 o  117.132   1.0286 13335.08  233.552 13303.42  321.707 13370.37  339.602  116.989   1.4166  117.274   1.4918 -0.2846375 2.057228 
1 1 1   18   11    7 o   89.699   0.8267  7807.42  143.774  7621.31  197.671  8016.47  209.500   88.567   1.1498   90.831   1.1882 -2.263893 1.653394 
1 1 1   18   11    8 o   33.722   0.8728  1120.38   56.335  1281.43   77.709  941.988   81.786   36.316   1.1023   31.128   1.3535 5.187721 1.745591 
1 1 1   18   11    9 o  165.253   1.3241 26587.73  424.715 27022.80  604.428 26163.41  596.917  166.589   1.8691  163.917   1.8760 2.672318 2.648172 
1 1 1   18   11   10 o   53.901   0.7365  2818.72   76.675  2781.21  103.059  2865.23  114.752   53.503   0.9923   54.299   1.0887 -0.7965546 1.473057 
1 1 1   18   11   11 o   76.366   0.7863  5660.72  116.481  5922.46  168.150  5419.25  161.509   78.061   1.1097   74.671   1.1142 3.390343 1.572553 
1 1 1   18   11   12 o  142.958   1.2613 19911.21  349.989 19774.79  491.388 20051.66  498.609  142.464   1.7769  143.453   1.7905 -0.9896088 2.522563 
1 1 1   18   11   13 o   44.730   0.8052  1945.93   69.859  1958.05   97.064  1932.90  100.622   44.876   1.1142   44.583   1.1627 0.2926750 1.610373 
1 1 1   18   11   14 o   7.4046   2.1862   5.7783   52.888   35.981   78.914 -18.8496   71.259   8.2540   3.2848   6.5553   2.8859 1.698666 4.372470 
1 1 1   18   11   15 o   46.193   0.7842  2077.12   70.302  2048.85   99.946  2104.81   98.905   45.881   1.1222   46.506   1.0956 -0.6253853 1.568318 
1 1 1   18   11   16 o   49.564   0.7829  2390.72   75.294  2336.72  104.599  2448.78  108.471   48.985   1.1000   50.143   1.1144 -1.158653 1.565855 
1 1 1   18   11   17 o   38.692   0.8915  1462.11   66.858  1431.27   96.679  1490.38   92.557   38.294   1.3006   39.090   1.2198 -0.7958565 1.783074 
1 1 1   18   11   18 o   25.068   1.1987  617.512   58.185  677.083   83.266  560.665   81.339   26.261   1.6334   23.876   1.7550 2.385105 2.397491 
1 1 1   18   11   19 o   21.665   1.4067  474.849   57.890  381.342   84.407  557.899   79.547   19.553   2.2238   23.778   1.7234 -4.225418 2.813448 
1 1 1   18   11   20 o   11.595   2.4101  141.979   57.823  125.057   78.319  162.256   85.730   10.909   3.3639   12.281   3.4523 -1.371236 4.820247 
1 1 1   18   11   21 o   12.143   2.4780  161.087   62.575  194.312   88.246  127.486   88.744   13.312   3.4022   10.975   3.6038 2.336206 4.956029 
1 1 1   18   11   22 o   20.341   1.5791  422.490   61.910  373.092   88.554  469.717   86.586   19.107   2.3876   21.575   2.0674 -2.467972 3.158279 
1 1 1   18   11   23 o   14.443   2.8928  252.974   84.301  268.752  106.475  226.467  138.005   15.274   3.6424   13.613   4.4952 1.660871 5.785608 
1 1 1   18   12    0 o   41.449   0.6426  1668.70   51.688  1687.37   72.502  1649.41   73.708   41.685   0.8960   41.213   0.9213 0.4721451 1.285164 
1 1 1   18   12    1 o   45.989   0.6376  2057.04   56.822  2133.57   79.121  1975.52   81.657   46.874   0.8695   45.103   0.9327 1.771240 1.275126 
1 1 1   18   12    2 o   96.593   0.8283  9067.53  155.080  9138.57  213.949  8988.89  225.108   96.994   1.1363   96.192   1.2056 0.8025131 1.656678 
1 1 1   18   12    3 o   44.175   0.6720  1900.56   57.450  1993.50   79.553  1799.27   83.054   45.308   0.9045   43.042   0.9940 2.266171 1.343965 
1 1 1   18   12    4 o   38.532   0.7216  1442.00   53.644  1441.72   71.992  1442.35   80.435   38.529   0.9626   38.534   1.0753 -0.5367279E-02 1.443192 
1 1 1   18   12    5 o  109.219   0.9274 11593.11  196.430 11616.32  271.873 11567.76  284.118  109.337   1.2810  109.102   1.3415 0.2348938 1.854877 
1 1 1   18   12    6 o   27.775   0.9456  757.395   50.023  794.260   65.682  706.481   77.189   28.592   1.1834   26.958   1.4751 1.633959 1.891112 
1 1 1   18   12    7 o   62.060   0.7159  3740.58   85.961  3733.24  116.838  3749.24  126.923   61.996   0.9709   62.124   1.0525 -0.1286125 1.431883 
1 1 1   18   12    8 o   80.102   0.7747  6220.70  120.208  6032.85  163.885  6439.45  176.853   78.798   1.0714   81.406   1.1192 -2.608192 1.549335 
1 1 1   18   12    9 o   63.962   0.7300  3974.07   90.627  3937.24  126.836  4012.48  129.540   63.660   1.0264   64.265   1.0384 -0.6046486 1.460049 
1 1 1   18   12   10 o  131.641   1.1677 16869.55  298.396 16985.33  422.857 16754.70  421.140  132.091   1.6491  131.190   1.6537 0.9009399 2.335468 
1 1 1   18   12   11 o  104.325   0.9619 10585.61  194.800 10624.34  275.242 10546.74  275.736  104.517   1.3566  104.134   1.3641 0.3836060 1.923835 
1 1 1   18   12   12 o   38.650   0.8607  1459.84   64.131  1527.17   87.017  1379.78   94.884   39.635   1.1310   37.664   1.2978 1.970760 1.721442 
1 1 1   18   12   13 o  123.083   1.1059 14756.73  264.228 14793.29  373.095 14719.94  374.259  123.237   1.5596  122.929   1.5684 0.3084106 2.211826 
1 1 1   18   12   14 o   46.716   0.7724  2119.10   69.934  2056.00   95.756  2191.23  102.380   45.974   1.0730   47.458   1.1113 -1.484123 1.544765 
1 1 1   18   12   15 o   63.447   0.7811  3919.09   96.169  3963.71  134.770  3872.80  137.271   63.818   1.0879   63.077   1.1211 0.7414169 1.562170 
1 1 1   18   12   16 o   28.403   1.1586  797.750   63.148  898.550   87.166  686.410   91.609   30.332   1.4804   26.474   1.7826 3.858288 2.317203 
1 1 1   18   12   17 o   46.013   0.8298  2063.52   73.996  2047.14  101.556  2082.06  108.037   45.824   1.1417   46.202   1.2046 -0.3776512 1.659678 
1 1 1   18   12   18 o   13.372   2.2862  192.004   59.467  233.017   80.979  143.999   87.609   14.985   2.8886   11.760   3.5444 3.225412 4.572403 
1 1 1   18   12   19 f   26.576   1.1651  697.846   59.903  632.429   84.730  763.220   84.703   25.309   1.7247   27.844   1.5671 -2.535362 2.330287 
1 1 1   18   12   20 o   30.761   1.0156  929.691   60.610  970.591   87.200  891.462   84.305   31.416   1.4299   30.105   1.4426 1.311365 2.031178 
1 1 1   18   12   21 o   13.560   2.3315  200.628   60.716  194.183   83.623  207.814   88.299   13.342   3.2572   13.778   3.3368 -0.4361572 4.663001 
1 1 1   18   12   22 o   20.819   1.6123  442.269   64.995  469.102   91.013  414.342   92.849   21.507   2.1800   20.131   2.3760 1.375330 3.224564 
1 1 1   18   12   23 o   12.029   2.9199  165.845   80.605  158.524  101.957  178.047  131.629   11.736   3.8632   12.322   4.3794 -0.5862141 5.839823 
1 1 1   18   13    0 f   97.043   0.8288  9147.83  156.109  9126.70  219.084  9169.62  222.498   96.930   1.1644   97.157   1.1797 -0.2265320 1.657568 
1 1 1   18   13    1 o  128.817   1.0019 16124.02  250.105 16092.96  343.699 16158.99  364.632  128.690   1.3758  128.945   1.4568 -0.2545776 2.003766 
1 1 1   18   13    2 o   94.468   0.8302  8664.48  152.190  8486.25  211.860  8854.51  218.764   93.466   1.1677   95.471   1.1804 -2.005569 1.660399 
1 1 1   18   13    3 o   50.147   0.6658  2430.14   64.208  2358.00   84.653  2527.85   98.524   49.277   0.8850   51.017   0.9949 -1.740395 1.331510 
1 1 1   18   13    4 o   55.073   0.6736  2945.55   71.808  2944.22   97.900  2947.10  105.644   55.061   0.9160   55.085   0.9880 -0.2442932E-01 1.347244 
1 1 1   18   13    5 o  103.485   0.8951 10412.55  179.707 10693.05  252.169 10123.08  256.167  104.905   1.2383  102.065   1.2929 2.839241 1.790293 
1 1 1   18   13    6 o   72.771   0.7298  5145.02  103.076  5207.83  144.898  5080.66  146.663   73.222   1.0194   72.321   1.0447 0.9009552 1.459672 
1 1 1   18   13    7 o   39.227   0.7460  1485.69   56.486  1413.33   75.311  1578.76   85.406   38.143   1.0171   40.311   1.0914 -2.167927 1.491903 
1 1 1   18   13    8 o   28.056   0.9923  759.943   53.812  673.226   72.955  863.422   79.695   26.312   1.4284   29.800   1.3777 -3.487810 1.984521 
1 1 1   18   13    9 o   28.040   1.0123  768.136   54.693  798.588   73.905  731.266   81.321   28.661   1.3284   27.419   1.5279 1.241980 2.024618 
1 1 1   18   13   10 o   69.903   0.7528  4748.58  102.144  4785.08  144.874  4712.51  144.036   70.170   1.0636   69.636   1.0655 0.5342712 1.505528 
1 1 1   18   13   11 o   62.613   0.7553  3805.48   91.670  3730.53  125.850  3890.19  133.796   61.958   1.0464   63.267   1.0894 -1.308647 1.510559 
1 1 1   18   13   12 o   87.875   0.8530  7508.47  145.493  7474.22  204.572  7543.54  206.965   87.673   1.2020   88.077   1.2105 -0.4044876 1.705941 
1 1 1   18   13   13 o   58.348   0.7410  3310.14   83.920  3374.55  118.842  3246.06  118.521   58.916   1.0391   57.781   1.0567 1.134186 1.482020 
1 1 1   18   13   14 o   46.534   0.8071  2111.24   72.725  2177.10  100.378  2038.47  105.510   47.304   1.0931   45.764   1.1877 1.540695 1.614174 
1 1 1   18   13   15 o   19.368   1.9074  330.075   66.232  273.100   77.605  482.864  127.085   16.661   2.3995   22.075   2.9657 -5.414562 3.814827 
1 1 1   18   13   16 o   28.312   1.1351  783.323   62.119  777.227   83.903  790.719   92.413   28.200   1.5327   28.425   1.6748 -0.2246780 2.270294 
1 1 1   18   13   17 o   15.416   2.0974  243.814   60.350  225.584   81.900  265.472   89.269   14.776   2.9586   16.056   2.9738 -1.279856 4.194822 
1 1 1   18   13   18 o   32.574   1.0340  1035.07   65.102  987.294   87.373  1094.69   97.611   31.743   1.4180   33.405   1.5053 -1.661976 2.067975 
1 1 1   18   13   19 o   6.9257   2.1286 -13.1965   55.405   26.323   73.478 -65.2794   84.353   7.6112   3.1185   6.2403   2.8981 1.370907 4.257208 
1 1 1   18   13   20 o   8.9683   2.4254   61.367   59.927   89.246   84.536   33.205   84.963   9.7507   3.5049   8.1859   3.3536 1.564827 4.850892 
1 1 1   18   13   21 o   46.677   0.8351  2139.86   75.577  2119.42  109.250  2158.62  104.661   46.449   1.2117   46.905   1.1495 -0.4556847 1.670151 
1 1 1   18   13   22 o   29.750   1.1865  884.771   67.939  901.857   90.938  863.187  102.206   30.132   1.5547   29.368   1.7928 0.7635937 2.373032 
1 1 1   18   13   23 o   32.066   1.5534  1065.76   94.303  1110.11  122.510  1001.25  147.734   33.109   1.9062   31.023   2.4532 2.085831 3.106709 
1 1 1   18   14    0 o  117.371   0.9413 13392.03  214.154 13516.60  295.850 13254.91  310.393  117.948   1.2922  116.793   1.3691 1.154747 1.882566 
1 1 1   18   14    1 o  122.046   0.9666 14475.04  228.673 14489.14  315.198 14459.38  332.260  122.113   1.3297  121.980   1.4032 0.1332321 1.933174 
1 1 1   18   14    2 o   52.686   0.6523  2695.70   66.313  2695.83   89.017  2695.54   99.401   52.689   0.8703   52.683   0.9720 0.6023407E-02 1.304682 
1 1 1   18   14    3 o   38.844   0.7135  1471.91   53.418  1527.86   72.220  1404.32   79.374   39.664   0.9380   38.023   1.0754 1.640888 1.426981 
1 1 1   18   14    4 o   10.253   1.9926  103.716   42.981   58.096   60.574  149.973   60.996   8.3387   2.9701   12.166   2.6571 -3.827569 3.985202 
1 1 1   18   14    5 o  110.573   0.9330 11875.16  199.962 11760.13  274.816 12004.58  291.498  110.008   1.2869  111.138   1.3512 -1.130539 1.865959 
1 1 1   18   14    6 o   9.2895   1.9914   74.116   45.046  142.587   62.811   1.6027   64.638   11.849   2.7788   6.7296   2.8531 5.119694 3.982723 
1 1 1   18   14    7 o   24.465   1.0442  581.310   49.520  595.159   72.312  569.079   67.956   24.738   1.5058   24.192   1.4471 0.5462513 2.088420 
1 1 1   18   14    8 o   76.539   0.7601  5692.53  112.890  5706.23  157.491  5678.06  161.902   76.635   1.0587   76.444   1.0911 0.1918793 1.520256 
1 1 1   18   14    9 o   27.686   1.0082  744.001   53.427  736.764   69.797  754.243   83.031   27.529   1.3061   27.844   1.5362 -0.3156986 2.016378 
1 1 1   18   14   10 o   35.403   0.8252  1218.53   56.704  1239.72   80.118  1197.27   80.265   35.712   1.1557   35.094   1.1782 0.6178207 1.650406 
1 1 1   18   14   11 o   59.002   0.7434  3382.80   85.005  3376.65  116.924  3389.69  123.801   58.947   1.0218   59.056   1.0799 -0.1094704 1.486729 
1 1 1   18   14   12 o   22.624   1.2356  499.421   54.046  443.998   75.805  556.719   77.076   21.341   1.8298   23.906   1.6609 -2.565207 2.471212 
1 1 1   18   14   13 o   41.932   0.8300  1709.13   67.472  1686.59   92.808  1734.40   98.266   41.641   1.1482   42.223   1.1989 -0.5819206 1.660019 
1 1 1   18   14   14 o   41.043   0.8559  1647.32   67.854  1740.76   93.255  1542.19   98.916   42.293   1.1359   39.794   1.2805 2.499569 1.711725 
1 1 1   18   14   15 o   50.098   0.9536  2493.00   87.167  2590.05  107.594  2307.67  148.690   51.584   1.0745   48.612   1.5757 2.972668 1.907208 
1 1 1   18   14   16 o   65.135   0.7704  4132.21   97.392  4044.06  136.991  4222.31  138.487   64.431   1.0953   65.838   1.0836 -1.407219 1.540730 
1 1 1   18   14   17 o  107.919   1.0113 11388.29  211.839 11411.95  301.086 11365.09  298.108  108.026   1.4358  107.811   1.4244 0.2156448 2.022520 
1 1 1   18   14   18 o   31.064   1.0517  944.124   63.245  912.662   85.792  981.577   93.603   30.507   1.4487   31.621   1.5249 -1.113371 2.103364 
1 1 1   18   14   19 o   21.633   1.4377  462.532   60.100  406.662   81.565  528.894   88.894   20.201   2.0800   23.065   1.9854 -2.863461 2.875457 
1 1 1   18   14   20 o   13.988   2.2004  209.823   57.724  212.788   76.155  205.819   88.496   14.189   2.8637   13.786   3.3416 0.4024754 4.400826 
1 1 1   18   14   21 o   23.332   1.4223  546.685   64.258  550.413   88.054  542.438   93.986   23.446   1.9347   23.218   2.0853 0.2278938 2.844528 
1 1 1   18   14   22 o   31.347   1.4597  1012.03   85.649  1074.08  109.910  916.080  136.667   32.784   1.7271   29.910   2.3538 2.873857 2.919478 
1 1 1   18   14   23 o   38.037   1.2974  1466.07   92.595  1480.30  117.356  1442.61  150.712   38.482   1.5710   37.593   2.0653 0.8886566 2.594895 
1 1 1   18   15    0 o   81.454   0.7465  6442.43  117.990  6381.16  164.389  6507.53  169.454   81.055   1.0448   81.853   1.0665 -0.7975159 1.492963 
1 1 1   18   15    1 o  110.245   0.9145 11806.61  195.588 11735.73  271.605 11882.94  281.888  109.903   1.2731  110.587   1.3131 -0.6834641 1.828958 
1 1 1   18   15    2 o   8.4429   1.9552   60.579   41.352  106.303   55.083   1.5323   62.596   10.260   2.7212   6.6258   2.8083 3.634181 3.910395 
1 1 1   18   15    3 o   80.242   0.7520  6253.29  117.051  6230.65  162.248  6277.86  169.032   80.092   1.0436   80.392   1.0832 -0.3005219 1.504091 
1 1 1   18   15    4 o   17.053   1.4367  291.153   46.122  355.655   63.418  218.730   67.199   19.122   1.7085   14.983   2.3104 4.139140 2.873480 
1 1 1   18   15    5 o  104.322   0.9105 10574.18  184.259 10525.15  255.496 10627.33  265.983  104.072   1.2647  104.571   1.3103 -0.4993210 1.821090 
1 1 1   18   15    6 o   81.578   0.7930  6464.87  125.517  6435.39  174.549  6496.42  180.622   81.387   1.1048   81.770   1.1379 -0.3825684 1.586043 
1 1 1   18   15    7 o   82.819   0.7800  6666.73  125.355  6758.01  175.625  6571.94  178.980   83.398   1.0848   82.239   1.1211 1.159134 1.560071 
1 1 1   18   15    8 o   49.391   0.7001  2370.52   67.100  2444.78   94.867  2296.19   94.919   50.166   0.9742   48.617   1.0058 1.549778 1.400223 
1 1 1   18   15    9 o   62.969   0.7150  3852.84   87.155  3856.11  118.998  3849.05  128.007   63.000   0.9730   62.937   1.0478 0.6266785E-01 1.429906 
1 1 1   18   15   10 o   56.790   0.7262  3130.97   79.993  3063.17  110.535  3205.53  115.911   56.146   1.0142   57.434   1.0397 -1.288280 1.452393 
1 1 1   18   15   11 o   29.548   1.0083  852.659   57.614  917.320   80.345  784.218   82.660   30.709   1.3478   28.386   1.5001 2.322618 2.016647 
1 1 1   18   15   12 o   39.870   0.8162  1549.32   62.982  1604.25   86.775  1488.17   91.557   40.622   1.1005   39.118   1.2057 1.503643 1.632408 
1 1 1   18   15   13 o   53.917   0.7491  2820.66   78.049  2763.48  104.996  2891.26  116.681   53.312   1.0146   54.521   1.1025 -1.209793 1.498274 
1 1 1   18   15   14 o   41.010   0.8124  1629.85   64.478  1550.88   87.132  1725.43   95.862   39.919   1.1244   42.101   1.1730 -2.181606 1.624862 
1 1 1   18   15   15 o   15.896   1.8441  256.692   54.493  313.631   76.975  199.486   77.155   17.862   2.2200   13.930   2.9454 3.932493 3.688297 
1 1 1   18   15   16 o   51.810   0.7833  2615.88   78.759  2586.96  112.280  2643.91  110.505   51.525   1.1226   52.094   1.0928 -0.5694542 1.566631 
1 1 1   18   15   17 o   27.317   1.1180  730.959   59.105  657.200   82.391  809.164   84.838   25.888   1.6395   28.746   1.5204 -2.858145 2.235989 
1 1 1   18   15   18 o   22.167   1.3290  485.728   57.123  490.515   79.174  480.532   82.496   22.291   1.8297   22.042   1.9280 0.2484322 2.658033 
1 1 1   18   15   19 o   6.7395   2.1149 -19.7530   55.271 -30.7959   80.441  -9.8770   76.072   6.6311   2.9828   6.8479   2.9990 -0.2168298 4.229779 
1 1 1   18   15   20 o   27.629   1.1729  749.880   62.550  647.080   84.850  872.241   92.571   25.554   1.7105   29.705   1.6054 -4.151007 2.345878 
1 1 1   18   15   21 o   51.860   1.0133  2625.19   93.953  2576.58  112.327  2738.39  171.420   51.242   1.1293   52.478   1.6827 -1.236492 2.026534 
1 1 1   18   15   22 o   51.295   1.1486  2618.38  112.696  2597.35  147.156  2648.21  175.254   51.160   1.4818   51.431   1.7554 -0.2712669 2.297203 
1 1 1   18   15   23 o   23.863   1.9936  611.271   90.715  640.328  119.982  572.494  138.605   24.759   2.4965   22.967   3.1090 1.792006 3.987221 
1 1 1   18   16    0 o   80.379   0.7344  6274.40  114.530  6252.28  159.325  6298.06  164.752   80.233   1.0230   80.525   1.0540 -0.2915421 1.468795 
1 1 1   18   16    1 o   34.528   0.7204  1155.61   47.615  1144.32   62.206  1171.59   73.994   34.327   0.9335   34.729   1.0976 -0.4028664 1.440897 
1 1 1   18   16    2 o   75.925   0.7282  5600.50  107.293  5761.39  151.609  5439.07  151.861   77.018   1.0141   74.831   1.0454 2.187027 1.456455 
1 1 1   18   16    3 o  130.226   1.0455 16491.90  263.803 16595.60  362.786 16375.54  384.289  130.667   1.4303  129.785   1.5253 0.8820648 2.091022 
1 1 1   18   16    4 o   64.607   0.6926  4058.97   86.763  4215.02  121.465  3896.39  123.978   65.878   0.9498   63.336   1.0084 2.541645 1.385291 
1 1 1   18   16    5 o   42.013   0.7381  1714.39   60.172  1706.50   83.776  1722.81   86.481   41.914   1.0297   42.113   1.0579 -0.1988564 1.476270 
1 1 1   18   16    6 o   40.826   0.7464  1628.06   58.681  1701.37   79.257  1539.11   87.301   41.851   0.9756   39.800   1.1300 2.051090 1.492857 
1 1 1   18   16    7 o   22.247   1.1677  484.634   49.733  501.739   65.810  461.858   75.940   22.713   1.4926   21.781   1.7961 0.9315014 2.335354 
1 1 1   18   16    8 o   36.138   0.8087  1265.64   56.630  1212.95   77.335  1326.54   83.153   35.330   1.1276   36.946   1.1594 -1.616070 1.617350 
1 1 1   18   16    9 o   42.995   0.7499  1795.95   62.568  1816.71   89.676  1776.26   87.339   43.236   1.0685   42.753   1.0524 0.4832115 1.499714 
1 1 1   18   16   10 o   61.520   0.7432  3678.20   88.733  3788.11  125.795  3569.34  125.183   62.436   1.0379   60.604   1.0641 1.831539 1.486464 
1 1 1   18   16   11 o   87.423   0.8522  7430.95  144.609  7504.15  205.590  7359.28  203.442   87.849   1.2056   86.997   1.2047 0.8520203 1.704310 
1 1 1   18   16   12 o   46.601   0.7811  2104.79   70.529  2005.41   96.201  2220.30  103.708   45.416   1.0912   47.786   1.1180 -2.369358 1.562266 
1 1 1   18   16   13 o   57.446   0.7477  3195.60   83.168  3015.09  112.846  3410.23  123.049   55.679   1.0441   59.212   1.0705 -3.533115 1.495363 
1 1 1   18   16   14 o   42.238   0.8054  1737.01   66.019  1761.96   92.781  1711.43   93.960   42.547   1.1234   41.930   1.1544 0.6177406 1.610772 
1 1 1   18   16   15 o   79.629   0.8244  6170.73  127.306  6039.23  175.564  6316.54  184.874   78.740   1.1486   80.519   1.1828 -1.778809 1.648741 
1 1 1   18   16   16 o   79.372   0.8376  6140.48  129.020  6044.57  180.208  6241.34  184.802   78.738   1.1790   80.006   1.1899 -1.267967 1.675109 
1 1 1   18   16   17 o   56.577   0.7973  3121.55   87.537  3062.83  122.072  3183.71  125.595   56.031   1.1223   57.123   1.1327 -1.092281 1.594544 
1 1 1   18   16   18 o   64.041   0.8000  4007.92   99.441  3962.59  140.710  4053.14  140.552   63.676   1.1384   64.405   1.1242 -0.7288857 1.599920 
1 1 1   18   16   19 o   11.459   2.3419  140.109   55.358  156.642   76.467  121.902   80.245   12.104   3.2042   10.814   3.4162 1.289685 4.683745 
1 1 1   18   16   20 o   27.289   1.1718  736.874   61.744  639.653   85.636  842.134   89.107   25.388   1.7376   29.189   1.5726 -3.800484 2.343611 
1 1 1   18   16   21 o   23.671   1.4191  564.819   64.964  586.148   89.261  540.797   94.728   24.190   1.9009   23.153   2.1077 1.036983 2.838292 
1 1 1   18   16   22 o   18.407   2.4490  399.996   77.639  443.333   94.310  308.863  136.761   20.781   2.3379   16.033   4.3040 4.747921 4.897957 
1 1 1   18   17    0 o   83.540   0.9408  6854.54  142.139  6987.49  173.041  6578.76  249.227   84.817   1.0510   82.263   1.5607 2.554283 1.881603 
1 1 1   18   17    1 o   49.650   0.6465  2398.10   62.200  2499.01   86.732  2291.24   89.251   50.729   0.8808   48.572   0.9466 2.156490 1.292974 
1 1 1   18   17    2 o   48.217   0.6514  2263.20   60.637  2313.99   82.135  2202.35   89.896   48.814   0.8668   47.619   0.9725 1.195244 1.302722 
1 1 1   18   17    3 o   49.443   0.6750  2380.94   64.559  2472.66   88.746  2277.85   94.088   50.459   0.9060   48.427   1.0009 2.031631 1.350065 
1 1 1   18   17    4 o   74.724   0.7398  5423.93  107.204  5422.65  148.415  5425.33  155.021   74.716   1.0233   74.732   1.0686 -0.1580048E-01 1.479535 
1 1 1   18   17    5 o  108.772   0.9234 11498.58  194.814 11484.42  270.182 11513.92  281.164  108.705   1.2804  108.839   1.3308 -0.1337433 1.846724 
1 1 1   18   17    6 o   35.545   0.7941  1227.58   54.718  1226.28   75.470  1229.04   79.448   35.526   1.0944   35.564   1.1508 -0.3791046E-01 1.588109 
1 1 1   18   17    7 o   95.849   0.8647  8932.72  160.787  9037.23  224.105  8821.85  230.819   96.430   1.1972   95.268   1.2481 1.161522 1.729498 
1 1 1   18   17    8 o  106.112   0.9569 10948.96  196.947 10965.08  273.401 10931.57  283.948  106.197   1.3262  106.027   1.3796 0.1699371 1.913707 
1 1 1   18   17    9 o   37.334   0.8039  1354.44   58.252  1376.60   83.323  1333.26   81.468   37.633   1.1406   37.036   1.1332 0.5968590 1.607817 
1 1 1   18   17   10 o   32.722   0.9203  1037.93   58.364  968.644   80.066  1116.50   85.258   31.560   1.3069   33.884   1.2962 -2.323708 1.840699 
1 1 1   18   17   11 o   38.673   0.8520  1454.03   63.942  1409.38   89.750  1500.05   91.122   38.070   1.2145   39.277   1.1952 -1.206631 1.703910 
1 1 1   18   17   12 o   16.279   1.8921  268.928   57.215  300.788   77.098  229.874   85.360   17.535   2.2650   15.023   3.0316 2.512049 3.784292 
1 1 1   18   17   13 o   13.397   2.0247  183.646   52.173  230.006   72.717  134.461   74.900   15.304   2.4478   11.491   3.2257 3.813044 4.049335 
1 1 1   18   17   14 o   75.869   0.8079  5591.28  118.804  5388.06  162.633  5823.80  173.967   74.398   1.1261   77.341   1.1588 -2.943184 1.615817 
1 1 1   18   17   15 o   21.593   1.4345  456.887   59.771  449.144   79.983  466.680   89.950   21.399   1.9255   21.787   2.1268 -0.3885994 2.868982 
1 1 1   18   17   16 o   16.683   1.8438  281.561   56.990  287.865   73.957  272.348   89.416   17.079   2.2308   16.287   2.9363 0.7922344 3.687534 
1 1 1   18   17   17 o   27.740   1.2640  760.279   67.632  727.866  100.193  787.409   91.667   27.170   1.8997   28.310   1.6680 -1.140133 2.528061 
1 1 1   18   17   18 o   15.753   2.0093  255.837   58.761  237.991   77.671  279.720   89.854   15.136   2.7446   16.371   2.9353 -1.234808 4.018579 
1 1 1   18   17   19 o   18.201   1.8051  336.193   59.966  231.620   80.787  464.511   89.490   14.834   2.9095   21.569   2.1374 -6.734730 3.610207 
1 1 1   18   17   20 o   21.458   1.4523  460.024   60.084  449.495   80.074  473.590   90.894   21.212   1.9446   21.703   2.1575 -0.4900951 2.904569 
1 1 1   18   17   21 o   31.899   1.0574  1005.47   65.371  969.665   89.462  1046.48   95.757   31.300   1.4724   32.497   1.5180 -1.196415 2.114750 
1 1 1   18   17   22 o   39.030   1.3288  1551.81   98.184  1618.87  127.461  1453.96  153.973   40.258   1.6310   37.803   2.0982 2.454506 2.657589 
1 1 1   18   18    0 o  135.066   1.0801 17737.81  282.804 17798.91  390.172 17670.18  410.491  135.317   1.4854  134.815   1.5686 0.5019073 2.160258 
1 1 1   18   18    1 o  112.372   0.9317 12278.22  203.009 12443.29  281.629 12099.68  292.898  113.162   1.2821  111.581   1.3523 1.580559 1.863411 
1 1 1   18   18    2 o   32.489   1.0226  1024.53   56.401  1022.94   65.436  1029.13  111.239   32.452   1.0388   32.526   1.7618 -0.7434464E-01 2.045232 
1 1 1   18   18    3 o  108.438   0.9546 11426.44  200.701 11388.96  276.930 11467.90  291.283  108.254   1.3178  108.621   1.3814 -0.3675766 1.909213 
1 1 1   18   18    4 o  101.327   0.8904  9975.29  175.100  9866.86  244.704 10089.06  250.660  100.764   1.2510  101.891   1.2673 -1.126633 1.780780 
1 1 1   18   18    5 o   85.578   0.8063  7116.96  133.926  7190.43  188.517  7042.09  190.296   86.025   1.1289   85.131   1.1515 0.8938522 1.612598 
1 1 1   18   18    6 o   91.615   0.8302  8158.05  147.628  8263.74  207.983  8050.73  209.581   92.214   1.1619   91.015   1.1862 1.198639 1.660467 
1 1 1   18   18    7 o   72.850   0.7541  5157.77  106.621  5251.16  150.099  5062.65  151.480   73.517   1.0518   72.183   1.0811 1.333725 1.508292 
1 1 1   18   18    8 o   35.736   0.8215  1238.97   56.729  1217.79   76.389  1265.02   84.709   35.398   1.1117   36.074   1.2097 -0.6754570 1.642933 
1 1 1   18   18    9 o   42.782   0.7733  1778.67   64.126  1775.22   88.267  1782.53   93.321   42.740   1.0639   42.825   1.1226 -0.8481598E-01 1.546626 
1 1 1   18   18   10 o   50.800   0.7355  2507.63   72.498  2607.49  103.240  2410.48  101.831   51.799   1.0267   49.802   1.0533 1.996880 1.470966 
1 1 1   18   18   11 o  108.958   1.0011 11542.44  211.581 11269.45  292.632 11841.48  306.277  107.613   1.4009  110.304   1.4304 -2.691162 2.002112 
1 1 1   18   18   12 o   62.236   0.7512  3767.90   90.692  3810.78  126.412  3722.43  130.188   62.604   1.0402   61.869   1.0840 0.7347107 1.502372 
1 1 1   18   18   13 o   52.394   0.7453  2665.56   75.646  2597.52  103.173  2744.65  111.242   51.676   1.0285   53.113   1.0789 -1.437492 1.490637 
1 1 1   18   18   14 o   74.596   0.8021  5389.30  115.654  5126.75  155.210  5717.06  173.419   72.571   1.1018   76.621   1.1660 -4.050697 1.604173 
1 1 1   18   18   15 o   59.205   0.8861  3443.86   99.938  3275.97  155.038  3563.21  130.721   57.932   1.3787   60.478   1.1135 -2.546024 1.772156 
1 1 1   18   18   16 o   39.218   0.9456  1491.66   71.456  1586.39  109.082  1420.44   94.572   40.290   1.3947   38.146   1.2772 2.144493 1.891146 
1 1 1   18   18   17 o   43.301   0.8108  1821.63   67.912  1724.30   91.507  1940.97  101.325   42.025   1.1217   44.576   1.1710 -2.550533 1.621547 
1 1 1   18   18   18 o   44.590   0.8328  1947.05   71.959  1971.50   99.220  1919.91  104.518   44.898   1.1384   44.283   1.2159 0.6150055 1.665654 
1 1 1   18   18   19 o   28.586   1.1160  804.960   61.592  796.780   82.732  815.132   92.254   28.446   1.4983   28.726   1.6544 -0.2806110 2.232013 
1 1 1   18   18   20 o   26.772   1.2245  721.006   62.809  810.790   86.291  619.842   91.597   28.628   1.5528   24.916   1.8938 3.711763 2.449044 
1 1 1   18   18   21 f   42.429   0.8995  1771.14   73.960  1731.05  101.242  1817.03  108.305   41.929   1.2439   42.929   1.2997 -1.000507 1.798998 
1 1 1   18   18   22 o   19.278   2.2305  387.176   81.453  338.238  102.445  471.287  134.304   17.796   2.9654   20.760   3.3328 -2.963085 4.461088 
1 1 1   18   19    0 o   69.211   0.8310  4648.58  105.112  4638.39  128.488  4669.20  182.767   69.108   0.9578   69.314   1.3583 -0.2065964 1.662066 
1 1 1   18   19    1 o   82.269   0.7617  6575.84  121.545  6605.17  168.644  6544.14  175.333   82.461   1.0535   82.077   1.1005 0.3848572 1.523483 
1 1 1   18   19    2 o   97.171   0.8529  9166.29  160.712  9010.53  221.445  9339.63  233.603   96.301   1.1846   98.040   1.2275 -1.739143 1.705851 
1 1 1   18   19    3 o   96.151   0.8446  8981.79  157.458  8959.60  217.300  9006.32  228.479   96.028   1.1657   96.273   1.2226 -0.2449875 1.689263 
1 1 1   18   19    4 o   84.610   0.7823  6956.51  128.448  7006.22  179.739  6904.62  183.628   84.921   1.0903   84.300   1.1221 0.6204453 1.564622 
1 1 1   18   19    5 o   57.938   0.6857  3263.61   76.982  3310.27  106.140  3211.82  111.821   58.377   0.9366   57.499   1.0018 0.8779297 1.371487 
1 1 1   18   19    6 o   34.513   0.7882  1166.09   52.403  1263.91   71.961  1055.65   76.463   36.068   1.0278   32.957   1.1952 3.110928 1.576328 
1 1 1   18   19    7 o   39.510   0.9144  1553.57   65.451  1624.48   80.399  1414.23  112.703   40.891   1.0129   38.129   1.5227 2.761639 1.828812 
1 1 1   18   19    8 o   33.709   0.8534  1105.78   55.779  1136.83   77.804  1072.94   80.010   34.197   1.1720   33.220   1.2408 0.9779510 1.706796 
1 1 1   18   19    9 o  127.071   1.0483 15709.31  258.562 15965.63  367.426 15457.86  363.922  128.098   1.4776  126.043   1.4874 2.055496 2.096584 
1 1 1   18   19   10 o  145.318   1.2809 20579.76  361.315 20518.14  509.531 20642.08  512.433  145.100   1.8090  145.535   1.8139 -0.4359741 2.561753 
1 1 1   18   19   11 o   62.696   0.7677  3824.34   93.324  3888.38  129.540  3755.24  134.564   63.245   1.0551   62.147   1.1154 1.097927 1.535426 
1 1 1   18   19   12 o   59.543   0.7455  3446.52   86.151  3553.94  123.129  3343.50  120.583   60.452   1.0493   58.634   1.0594 1.818241 1.491096 
1 1 1   18   19   13 o   51.227   0.7703  2558.98   76.395  2647.47  105.474  2461.32  110.800   52.166   1.0416   50.288   1.1350 1.878395 1.540515 
1 1 1   18   19   14 o   54.751   0.7621  2922.15   80.646  2962.87  109.475  2873.83  119.251   55.176   1.0221   54.325   1.1308 0.8517799 1.524300 
1 1 1   18   19   15 o   8.8577   2.3390   31.010   59.743  124.505   90.635 -40.8204   79.444   11.221   3.6398   6.4942   2.9387 4.727018 4.678061 
1 1 1   18   19   16 o   6.5065   2.0130 -30.9883   51.675   25.490   71.450 -92.9304   74.826   7.5898   3.0884   5.4233   2.5825 2.166418 4.025902 
1 1 1   18   19   17 f   22.752   1.2384  509.373   54.626  547.086   78.730  474.365   75.856   23.569   1.7208   21.936   1.7815 1.633671 2.476835 
1 1 1   18   19   18 o   28.907   1.0249  819.842   57.408  754.964   79.411  890.869   83.090   27.705   1.4766   30.110   1.4216 -2.405060 2.049704 
1 1 1   18   19   19 o   10.888   2.5155  125.101   61.589  144.315   77.863   92.985  100.665   11.597   3.3006   10.179   3.7970 1.418580 5.031052 
1 1 1   18   19   20 o   33.165   1.0012  1085.72   64.319  1091.28   88.301  1079.44   93.877   33.274   1.3671   33.056   1.4630 0.2177010 2.002300 
1 1 1   18   19   21 o   11.405   2.4405  144.414   61.757  193.142   83.678   86.123   91.523   13.194   3.2809   9.6148   3.6138 3.579650 4.880991 
1 1 1   18   19   22 o   29.947   1.5386  899.750   87.475  830.185  110.983  1013.85  142.135   28.575   2.0008   31.320   2.3379 -2.744547 3.077153 
1 1 1   18   20    0 o   41.393   0.6643  1664.41   53.216  1668.23   72.554  1659.95   78.290   41.446   0.9018   41.341   0.9756 0.1050377 1.328540 
1 1 1   18   20    1 o   45.059   0.6527  1972.13   57.011  1977.38   78.676  1966.32   82.729   45.123   0.8982   44.995   0.9472 0.1279335 1.305346 
1 1 1   18   20    2 o   39.427   0.6804  1505.75   51.889  1464.19   70.097  1556.13   77.177   38.827   0.9300   40.026   0.9933 -1.198669 1.360743 
1 1 1   18   20    3 o   32.125   0.8179  1001.28   50.904  980.083   69.554  1025.72   74.700   31.761   1.1282   32.490   1.1844 -0.7293606 1.635719 
1 1 1   18   20    4 o   70.963   0.7152  4892.34   98.390  4897.35  135.815  4886.80  142.731   71.003   0.9854   70.923   1.0367 0.7978058E-01 1.430307 
1 1 1   18   20    5 o   63.490   0.6904  3899.56   84.696  3755.79  113.607  4079.46  127.079   62.180   0.9412   64.800   1.0103 -2.619911 1.380762 
1 1 1   18   20    6 o   32.686   0.8711  1039.63   54.904  1049.38   73.724  1027.49   82.268   32.861   1.1557   32.511   1.3036 0.3500099 1.742141 
1 1 1   18   20    7 o   34.256   0.8513  1143.36   56.131  1162.23   75.015  1119.36   84.610   34.581   1.1175   33.930   1.2846 0.6510239 1.702643 
1 1 1   18   20    8 o   32.508   0.8565  1027.89   53.989  1085.40   76.526  970.893   76.181   33.415   1.1798   31.600   1.2419 1.814421 1.712953 
1 1 1   18   20    9 o   33.239   0.9248  1074.75   59.577  1079.28   82.062  1069.71   86.633   33.315   1.2689   33.163   1.3457 0.1518402 1.849647 
1 1 1   18   20   10 o   96.005   0.9110  8960.93  169.678  8843.97  235.525  9087.13  244.657   95.357   1.2724   96.654   1.3040 -1.296944 1.821917 
1 1 1   18   20   11 o   82.532   0.8234  6623.33  131.855  6575.22  183.430  6674.77  189.668   82.224   1.1492   82.840   1.1795 -0.6156311 1.646780 
1 1 1   18   20   12 o   89.787   0.8715  7846.65  151.861  7807.20  212.061  7888.18  217.572   89.558   1.2198   90.016   1.2451 -0.4578476 1.743071 
1 1 1   18   20   13 o   58.692   0.7505  3354.72   85.275  3391.64  116.731  3312.47  124.875   59.044   1.0185   58.339   1.1027 0.7049675 1.501053 
1 1 1   18   20   14 o   28.590   1.1374  795.034   62.406  824.693   96.505  773.717   81.813   29.032   1.7124   28.147   1.4973 0.8850613 2.274709 
1 1 1   18   20   15 o   19.003   1.4569  354.858   53.691  334.364   74.577  376.911   77.361   18.431   2.0844   19.575   2.0359 -1.143816 2.913721 
1 1 1   18   20   16 o   42.995   0.8115  1809.63   66.867  1842.94   88.290  1764.82  102.400   43.479   1.0461   42.510   1.2409 0.9694099 1.623008 
1 1 1   18   20   17 o   19.549   1.4555  369.830   54.544  309.125   71.171  456.234   84.910   17.649   2.0774   21.450   2.0393 -3.800695 2.911011 
1 1 1   18   20   18 o   48.073   0.7739  2264.86   72.049  2410.76  100.997  2113.67  102.814   49.668   1.0475   46.478   1.1396 3.190060 1.547870 
1 1 1   18   20   19 o   10.112   2.3777  103.160   55.304   78.631   77.793  128.224   78.637   9.2445   3.3567   10.979   3.3684 -1.734312 4.755304 
1 1 1   18   20   20 o   11.849   2.3173  153.613   55.695  181.318   78.824  125.991   78.706   12.885   3.1726   10.814   3.3785 2.070681 4.634624 
1 1 1   18   20   21 o   23.324   1.3785  548.114   62.389  528.944   87.756  567.706   88.715   22.900   1.9741   23.747   1.9245 -0.8464508 2.756969 
1 1 1   18   20   22 o   19.467   2.4299  443.416   83.537  492.093  104.917  359.108  138.076   21.714   2.4891   17.221   4.1740 4.493412 4.859834 
1 1 1   18   21    0 o   61.148   0.6564  3627.31   77.824  3548.36  107.149  3715.47  113.221   60.445   0.9132   61.851   0.9430 -1.405609 1.312706 
1 1 1   18   21    1 o   37.171   0.7014  1348.76   50.331  1428.84   69.042  1257.94   73.529   38.356   0.9273   35.985   1.0526 2.370369 1.402799 
1 1 1   18   21    2 o   82.507   0.7696  6613.38  123.166  6609.98  170.846  6617.05  177.724   82.487   1.0670   82.528   1.1094 -0.4100800E-01 1.539213 
1 1 1   18   21    3 o   78.631   0.7586  6006.38  115.624  5997.52  159.298  6016.24  168.090   78.571   1.0444   78.690   1.1004 -0.1184692 1.517158 
1 1 1   18   21    4 o   94.194   0.8559  8622.39  156.479  8575.43  219.187  8671.20  223.464   93.933   1.2021   94.455   1.2188 -0.5213013 1.711830 
1 1 1   18   21    5 o   54.240   0.6879  2851.14   72.312  2742.99   98.898  2975.37  106.000   53.139   0.9588   55.342   0.9867 -2.203716 1.375790 
1 1 1   18   21    6 o   93.909   0.8545  8575.30  155.692  8823.82  219.391  8323.16  220.980   95.282   1.1862   92.535   1.2302 2.747429 1.708918 
1 1 1   18   21    7 o   80.625   0.7825  6312.58  122.312  6220.40  168.166  6416.12  178.222   80.003   1.0828   81.247   1.1300 -1.244118 1.565097 
1 1 1   18   21    8 o   77.041   0.7714  5769.58  115.275  5798.28  160.028  5738.63  166.192   77.242   1.0673   76.840   1.1142 0.4027481 1.542886 
1 1 1   18   21    9 o   78.487   0.7820  5986.15  119.111  5909.19  166.322  6067.17  170.658   77.970   1.0989   79.004   1.1128 -1.033890 1.563935 
1 1 1   18   21   10 o   97.747   0.9291  9294.52  176.270  9511.81  250.410  9081.10  248.173   98.881   1.3046   96.613   1.3233 2.267868 1.858238 
1 1 1   18   21   11 o   46.419   0.7636  2095.46   68.775  2008.65   96.758  2184.11   97.776   45.446   1.0968   47.393   1.0628 -1.946278 1.527257 
1 1 1   18   21   12 o   52.872   0.7693  2720.72   78.856  2737.82  108.985  2701.93  114.239   53.050   1.0583   52.694   1.1168 0.3557930 1.538621 
1 1 1   18   21   13 o   31.738   1.0784  971.391   65.881  1072.12  101.487  898.022   86.612   33.137   1.5777   30.339   1.4706 2.797894 2.156846 
1 1 1   18   21   14 o   52.419   0.7406  2678.04   75.225  2723.38  103.893  2628.07  109.065   52.892   1.0119   51.947   1.0816 0.9447670 1.481131 
1 1 1   18   21   15 o   44.979   0.7849  1970.02   67.841  1959.04   89.677  1984.71  103.735   44.846   1.0301   45.112   1.1846 -0.2666550 1.569847 
1 1 1   18   21   16 o   53.924   0.7812  2837.26   81.103  2836.27  108.000  2838.54  122.818   53.932   1.0316   53.916   1.1735 0.1519775E-01 1.562458 
1 1 1   18   21   17 o   11.362   1.9752  130.736   54.745  243.919   73.464 -10.6008   82.095   15.601   2.4259   7.1238   3.1178 8.477007 3.950345 
1 1 1   18   21   18 o   49.031   0.7948  2351.90   75.525  2354.45  103.971  2349.05  109.891   49.070   1.0915   48.992   1.1555 0.7817078E-01 1.589537 
1 1 1   18   21   19 o   10.457   2.4085  114.269   55.715  117.729   72.663  109.334   86.791   10.536   3.2387   10.378   3.5656 0.1587515 4.816937 
1 1 1   18   21   20 o   10.096   2.4578  103.835   59.336  129.884   82.514   75.941   85.387   10.951   3.4647   9.2401   3.4869 1.711395 4.915520 
1 1 1   18   21   21 f   9.1983   2.6432   55.102   76.941  100.418   99.161 -13.4565  121.967   10.096   3.7681   8.3005   3.7077 1.795635 5.286343 
1 1 1   18   22    0 o   58.673   0.6535  3345.46   74.385  3409.37  103.948  3278.39  106.491   59.249   0.9038   58.098   0.9442 1.150967 1.307077 
1 1 1   18   22    1 o  122.748   1.0127 14649.18  240.948 14664.33  332.012 14632.31  350.220  122.821   1.3926  122.676   1.4707 0.1452637 2.025373 
1 1 1   18   22    2 o   77.927   0.7381  5888.11  111.449  5724.19  152.240  6077.40  163.597   76.762   1.0217   79.091   1.0656 -2.329727 1.476241 
1 1 1   18   22    3 o   51.831   0.6630  2607.71   66.670  2725.36   95.608  2496.34   93.018   52.969   0.9298   50.694   0.9452 2.275074 1.325928 
1 1 1   18   22    4 o   96.249   0.8814  9002.27  164.610  8933.84  229.094  9075.30  236.678   95.873   1.2310   96.625   1.2618 -0.7526321 1.762825 
1 1 1   18   22    5 o  149.307   1.1814 21710.47  342.065 22152.07  476.205 21239.72  491.673  150.887   1.6258  147.727   1.7146 3.160355 2.362852 
1 1 1   18   22    6 o  105.697   0.9175 10856.20  188.071 10714.54  259.549 11012.80  272.898  104.975   1.2737  106.420   1.3210 -1.444038 1.835061 
1 1 1   18   22    7 o   19.107   1.7883  328.162   61.555  285.850   72.642  435.907  115.919   17.116   2.1864   21.098   2.8304 -3.982307 3.576552 
1 1 1   18   22    8 o   33.341   1.1887  1096.13   67.813  1111.94   79.349  1053.31  130.600   33.819   1.2087   32.863   2.0472 0.9553185 2.377413 
1 1 1   18   22    9 o   10.705   2.1362  111.127   52.223  184.613   71.465   26.918   76.502   13.476   2.8223   7.9333   3.2074 5.543122 4.272339 
1 1 1   18   22   10 o  134.615   1.1988 17661.47  313.254 17848.52  444.447 17476.82  441.583  135.324   1.6919  133.906   1.6988 1.418808 2.397620 
1 1 1   18   22   11 o   77.904   0.8098  5904.30  122.429  5887.42  171.129  5922.00  175.225   77.792   1.1332   78.016   1.1570 -0.2242661 1.619556 
1 1 1   18   22   12 o   62.736   0.8937  3837.38  106.119  3813.98  169.854  3852.36  135.909   62.554   1.3988   62.917   1.1128 -0.3625298 1.787441 
1 1 1   18   22   13 o   34.044   0.8957  1132.79   59.018  1197.24   82.067  1063.75   84.933   35.056   1.2060   33.032   1.3246 2.024715 1.791348 
1 1 1   18   22   14 o   31.075   0.9990  951.869   59.422  1006.21   79.168  881.752   89.926   32.118   1.2698   30.031   1.5426 2.087208 1.997984 
1 1 1   18   22   15 f   13.443   2.4479  176.643   58.856  160.135   68.798  221.697  113.659   12.418   2.9056   14.468   3.9404 -2.049647 4.895824 
1 1 1   18   22   16 o   15.983   1.8326  263.234   54.157  281.054   71.141  238.675   83.519   16.828   2.1778   15.139   2.9481 1.689560 3.665232 
1 1 1   18   22   17 o   20.798   1.3733  432.290   54.896  457.148   74.069  401.996   81.769   21.503   1.7745   20.092   2.0965 1.411310 2.746645 
1 1 1   18   22   18 o   51.400   0.7754  2587.27   77.223  2643.81  106.683  2525.05  111.924   52.005   1.0568   50.796   1.1351 1.209290 1.550881 
1 1 1   18   22   19 o   40.261   0.8775  1588.62   68.389  1544.72   92.807  1640.78  101.165   39.668   1.2053   40.855   1.2756 -1.186985 1.754954 
1 1 1   18   22   20 o   16.307   2.0454  291.652   60.963  418.810   86.808  167.913   85.633   20.325   2.2002   12.290   3.4488 8.035814 4.090867 
1 1 1   18   22   21 o   11.816   2.8481  159.817   78.903  179.330  103.493  132.732  121.931   12.443   3.8720   11.190   4.1779 1.252930 5.696261 
1 1 1   18   23    0 o   66.650   0.6846  4316.41   88.434  4341.83  121.937  4288.19  128.447   66.859   0.9395   66.442   0.9959 0.4173431 1.369134 
1 1 1   18   23    1 o   22.561   0.9904  493.578   43.220  480.453   58.392  509.481   64.275   22.231   1.3531   22.890   1.4465 -0.6591167 1.980730 
1 1 1   18   23    2 o  144.501   1.1920 20307.13  334.245 20793.01  480.447 19851.39  465.304  146.173   1.6932  142.828   1.6783 3.344772 2.384013 
1 1 1   18   23    3 o  127.359   1.0700 15775.54  264.518 15656.13  371.506 15898.33  376.720  126.871   1.5085  127.847   1.5180 -0.9758530 2.140029 
1 1 1   18   23    4 o   50.977   0.8576  2568.81   80.527  2384.49  134.896  2670.86  100.373   49.520   1.4033   52.434   0.9861 -2.913528 1.715146 
1 1 1   18   23    5 o   38.023   0.7880  1407.86   58.043  1484.05   81.159  1328.09   83.042   39.080   1.0698   36.965   1.1573 2.114235 1.576028 
1 1 1   18   23    6 o   66.934   0.7335  4352.00   95.284  4492.82  136.151  4216.81  133.395   67.996   1.0315   65.873   1.0432 2.122589 1.467065 
1 1 1   18   23    7 o   72.245   0.7409  5070.28  103.887  5220.51  148.362  4925.76  145.517   73.295   1.0428   71.195   1.0529 2.100021 1.481888 
1 1 1   18   23    8 o   48.100   0.7314  2249.66   68.198  2271.17   94.214  2225.99   98.845   48.344   1.0039   47.857   1.0640 0.4868011 1.462881 
1 1 1   18   23    9 o   58.822   0.7314  3356.94   83.366  3265.92  113.946  3461.78  122.292   57.968   1.0126   59.677   1.0557 -1.709347 1.462811 
1 1 1   18   23   10 o   47.876   0.7390  2230.76   68.604  2294.64   95.786  2163.47   98.305   48.583   1.0157   47.169   1.0736 1.413502 1.477929 
1 1 1   18   23   11 o   57.692   0.8834  3189.77   96.254  3454.75  157.938  3033.20  121.406   59.550   1.3663   55.833   1.1202 3.717514 1.766770 
1 1 1   18   23   12 o   28.272   1.0048  781.073   54.672  793.047   73.032  765.808   82.460   28.528   1.3188   28.016   1.5163 0.5120907 2.009547 
1 1 1   18   23   13 f   68.518   0.7700  4570.02  102.101  4552.75  138.905  4590.33  150.588   68.386   1.0464   68.650   1.1300 -0.2645340 1.540068 
1 1 1   18   23   14 o   20.477   1.6392  381.590   60.319  334.659   71.093  502.203  113.971   18.452   1.9848   22.502   2.6092 -4.049473 3.278335 
1 1 1   18   23   15 o   9.9957   2.3185   98.364   52.509  115.665   70.092   76.237   79.271   10.623   3.1633   9.3686   3.3904 1.254230 4.636956 
1 1 1   18   23   16 o   17.351   1.5704  302.787   51.964  365.374   73.373  239.805   73.604   19.215   1.9671   15.486   2.4485 3.729566 3.140812 
1 1 1   18   23   17 o   31.314   0.9223  961.607   56.059  948.042   78.815  975.498   79.753   31.090   1.3060   31.538   1.3027 -0.4477997 1.844617 
1 1 1   18   23   18 o   36.788   0.8406  1325.84   59.961  1318.82   82.749  1333.60   87.007   36.694   1.1617   36.883   1.2152 -0.1892204 1.681211 
1 1 1   18   23   19 o   14.878   1.9086  231.156   53.814  226.850   78.585  234.957   73.845   14.585   2.8779   15.170   2.5076 -0.5855341 3.817101 
1 1 1   18   23   20 o   33.926   0.9856  1137.85   64.906  1144.78   91.774  1130.91   91.807   34.031   1.3892   33.821   1.3984 0.2107277 1.971166 
1 1 1   18   23   21 o   9.7205   2.6956   59.736   78.601 -17.4972  104.525  160.249  119.241   7.6148   3.4146   11.826   4.1720 -4.211263 5.391214 
1 1 1   18   24    0 o   70.647   0.6985  4848.77   95.782  4870.28  134.780  4826.82  136.142   70.806   0.9806   70.489   0.9950 0.3174973 1.396968 
1 1 1   18   24    1 o   21.700   1.0647  451.567   44.521  391.026   59.226  530.230   67.510   20.050   1.5217   23.349   1.4895 -3.298756 2.129346 
1 1 1   18   24    2 o   90.160   0.8163  7888.77  142.637  7721.84  195.402  8079.18  208.691   89.142   1.1292   91.177   1.1791 -2.034355 1.632615 
1 1 1   18   24    3 o   25.135   1.0230  611.490   49.782  556.596   67.979  674.977   73.105   23.923   1.4638   26.346   1.4294 -2.422762 2.045980 
1 1 1   18   24    4 o   11.192   2.1057  126.829   47.538  161.242   66.854   91.635   67.610   12.595   2.8062   9.7893   3.1404 2.806182 4.211487 
1 1 1   18   24    5 o  102.692   0.9085 10251.60  180.975 10179.75  250.865 10329.56  261.329  102.321   1.2630  103.064   1.3062 -0.7437592 1.816984 
1 1 1   18   24    6 o   79.021   0.7805  6069.34  119.686  6086.19  167.262  6051.66  171.335   79.135   1.0888   78.907   1.1186 0.2276917 1.561019 
1 1 1   18   24    7 o   43.703   0.7632  1854.30   64.584  1828.87   88.028  1883.94   95.046   43.381   1.0453   44.025   1.1122 -0.6446190 1.526322 
1 1 1   18   24    8 o   45.444   0.7655  2007.41   67.521  1971.94   95.271  2043.21   95.709   45.040   1.0897   45.848   1.0754 -0.8075218 1.530971 
1 1 1   18   24    9 o   54.535   0.7482  2884.34   79.098  2759.05  108.487  3026.53  115.570   53.274   1.0491   55.795   1.0670 -2.521091 1.496362 
1 1 1   18   24   10 o   50.064   0.8571  2400.65   81.131  2604.05  132.781  2279.47  102.488   51.717   1.3226   48.411   1.0906 3.306293 1.714281 
1 1 1   18   24   11 o   76.598   0.8059  5712.25  119.790  5817.29  168.235  5604.23  170.607   77.316   1.1209   75.880   1.1583 1.435844 1.611856 
1 1 1   18   24   12 o   36.520   0.8458  1294.60   59.671  1256.11   80.055  1342.71   89.510   35.917   1.1482   37.124   1.2421 -1.207436 1.691508 
1 1 1   18   24   13 f   8.0105   2.3719   12.894   62.921   54.250   73.724 -98.0230  120.736   8.5538   3.2371   7.4673   3.4677 1.086484 4.743783 
1 1 1   18   24   14 o   11.481   2.2541  136.751   51.956  142.950   69.995  129.145   77.537   11.736   3.0459   11.225   3.3235 0.5105448 4.508125 
1 1 1   18   24   15 o   37.193   0.8055  1349.83   58.130  1340.74   80.870  1359.55   83.614   37.066   1.1240   37.320   1.1542 -0.2535400 1.611025 
1 1 1   18   24   16 o   31.401   0.9078  972.162   54.913  1039.52   74.962  894.155   80.668   32.603   1.1844   30.198   1.3761 2.405096 1.815644 
1 1 1   18   24   17 o   13.165   2.0132  184.509   50.698  215.927   68.087  145.415   75.951   14.656   2.3932   11.675   3.2381 2.981664 4.026489 
1 1 1   18   24   18 o   8.2728   2.2546   44.472   53.643   87.424   75.709   1.1693   76.018   9.4902   3.3262   7.0553   3.0446 2.434875 4.509203 
1 1 1   18   24   19 o   8.9412   2.1624   58.882   53.488 -30.9051   76.635  144.166   74.689   6.3853   2.8881   11.497   3.2190 -5.111683 4.324701 
1 1 1   18   24   20 o   11.052   2.3656  134.720   55.245  123.724   78.800  145.349   77.472   10.652   3.3875   11.452   3.3029 -0.7995138 4.731173 
1 1 1   18   24   21 o   15.232   2.5358  279.377   81.563  407.119  110.808  128.320  120.496   19.497   2.9278   10.966   4.1412 8.530907 5.071627 
1 1 1   18   25    0 o   32.135   0.7833  994.562   48.619  873.322   65.572  1142.60   72.458   29.979   1.1268   34.292   1.0885 -4.313101 1.566689 
1 1 1   18   25    1 o   95.500   0.8568  8861.12  158.678  8800.79  219.207  8927.53  229.990   95.161   1.1867   95.839   1.2362 -0.6774216 1.713614 
1 1 1   18   25    2 o  112.233   0.9587 12251.37  208.775 12578.10  294.151 11919.71  296.366  113.745   1.3322  110.722   1.3789 3.023438 1.917322 
1 1 1   18   25    3 o   99.154   0.8768  9549.87  168.617  9400.12  232.808  9715.11  244.545   98.340   1.2196   99.969   1.2602 -1.629066 1.753665 
1 1 1   18   25    4 o   88.451   0.8298  7603.40  142.358  7566.14  197.158  7643.99  205.766   88.227   1.1512   88.674   1.1954 -0.4476395 1.659583 
1 1 1   18   25    5 o   37.701   0.7856  1379.59   57.438  1295.02   79.762  1470.68   82.781   36.502   1.1257   38.900   1.0963 -2.398254 1.571294 
1 1 1   18   25    6 o  111.324   0.9485 12053.23  204.957 12090.81  289.284 12015.35  290.426  111.499   1.3366  111.149   1.3461 0.3500977 1.896918 
1 1 1   18   25    7 f   29.903   0.9647  871.212   55.768  885.234   75.872  854.734   82.248   30.169   1.2956   29.638   1.4296 0.5309715 1.929304 
1 1 1   18   25    8 f   89.230   0.8476  7742.15  146.803  7889.33  208.552  7597.60  206.681   90.071   1.1928   88.388   1.2046 1.682671 1.695231 
1 1 1   18   25    9 o   15.065   2.0683  216.563   58.460  298.957   94.117  164.804   74.596   17.443   2.7796   12.687   3.0636 4.756566 4.136632 
1 1 1   18   25   10 o   43.338   0.8153  1836.64   67.893  1897.15   90.702  1759.55  102.387   44.163   1.0580   42.514   1.2407 1.649174 1.630530 
1 1 1   18   25   11 o   38.088   0.8275  1407.21   61.067  1304.69   83.633  1524.30   89.376   36.607   1.1769   39.570   1.1636 -2.962475 1.655008 
1 1 1   18   25   12 o   50.209   0.9078  2433.08   80.935  2397.95   96.282  2517.71  149.419   49.640   0.9992   50.777   1.5159 -1.137615 1.815583 
1 1 1   18   25   13 o   37.855   0.8160  1388.22   59.083  1349.45   76.744  1444.65   92.580   37.222   1.0621   38.488   1.2392 -1.266258 1.632065 
1 1 1   18   25   14 o   49.467   0.7206  2375.40   69.049  2251.75   94.054  2519.95  101.693   48.078   1.0078   50.856   1.0301 -2.778431 1.441100 
1 1 1   18   25   15 o   15.724   1.8029  255.857   52.532  296.596   71.764  208.827   77.106   17.295   2.1375   14.153   2.9039 3.142277 3.605785 
1 1 1   18   25   16 o   7.7672   2.2398   29.104   53.127   27.260   72.088   31.296   78.598   7.5891   3.0968   7.9453   3.2369 -0.3562083 4.479654 
1 1 1   18   25   17 o   43.609   0.8055  1847.20   67.753  1746.93   89.961  1978.61  102.989   42.264   1.0965   44.953   1.1802 -2.688416 1.610994 
1 1 1   18   25   18 o   9.5617   2.3467   90.154   54.269  112.302   72.092   61.189   82.443   10.319   3.2350   8.8046   3.4004 1.514382 4.693347 
1 1 1   18   25   19 o   10.211   2.5199   99.257   62.641  151.298   94.900   59.078   83.387   11.715   3.7166   8.7073   3.4039 3.008196 5.039793 
1 1 1   18   25   20 f   14.901   2.4569  257.381   69.536  210.732  108.798  289.596   90.413   13.453   3.9239   16.350   2.9577 -2.896970 4.913761 
1 1 1   18   25   21 o   9.2152   2.7232   54.211   80.584   45.268  106.161   66.368  123.785   8.7981   3.6891   9.6323   4.0067 -0.8341875 5.446371 
1 1 1   18   26    0 o   62.404   0.6932  3781.05   83.942  3710.14  116.866  3856.62  120.648   61.800   0.9742   63.007   0.9864 -1.207466 1.386373 
1 1 1   18   26    1 o  100.680   0.8904  9853.08  174.013  9938.04  246.242  9768.32  245.941  101.114   1.2545  100.246   1.2639 0.8682785 1.780792 
1 1 1   18   26    2 o   70.246   0.7306  4794.71   99.616  4897.13  141.151  4693.07  140.608   70.994   1.0242   69.498   1.0422 1.496201 1.461273 
1 1 1   18   26    3 o   69.488   0.7268  4691.60   98.027  4737.21  139.469  4647.08  137.807   69.821   1.0290   69.154   1.0266 0.6671295 1.453522 
1 1 1   18   26    4 o   66.411   0.7116  4285.51   91.727  4284.61  128.548  4286.44  130.927   66.404   0.9973   66.417   1.0155 -0.1279449E-01 1.423298 
1 1 1   18   26    5 o   18.484   1.3423  332.621   47.984  294.820   66.605  373.412   69.189   17.391   1.9730   19.578   1.8206 -2.187513 2.684612 
1 1 1   18   26    6 o   18.116   1.3727  325.143   47.490  370.877   65.010  272.813   69.541   19.513   1.7163   16.719   2.1427 2.793917 2.745317 
1 1 1   18   26    7 o   12.969   2.1296  169.582   53.215  122.588   72.531  224.373   78.317   11.049   3.1984   14.890   2.8127 -3.840814 4.259248 
1 1 1   18   26    8 o   50.694   0.7585  2500.28   74.568  2547.86  103.831  2449.59  107.158   51.194   1.0448   50.193   1.0998 1.001320 1.516979 
1 1 1   18   26    9 f   69.428   0.7569  4688.22  101.999  4736.54  144.243  4639.90  144.253   69.787   1.0648   69.070   1.0759 0.7170792 1.513702 
1 1 1   18   26   10 o   45.626   0.7786  2012.23   68.490  1917.72   90.876  2136.50  104.207   44.399   1.0544   46.853   1.1458 -2.454338 1.557101 
1 1 1   18   26   11 o   61.263   0.9292  3681.89  101.267  3718.96  121.377  3596.98  183.696   61.825   1.0114   60.700   1.5590 1.124378 1.858310 
1 1 1   18   26   12 o   17.598   1.6986  326.019   53.242  394.763   70.413  234.242   81.358   20.074   1.8070   15.122   2.8767 4.952305 3.397153 
1 1 1   18   26   13 o   35.944   0.8202  1258.66   57.204  1232.47   79.436  1286.87   82.444   35.557   1.1509   36.331   1.1690 -0.7737503 1.640443 
1 1 1   18   26   14 o   18.879   1.4917  354.248   54.039  368.634   72.120  335.830   81.599   19.347   1.9203   18.411   2.2832 0.9359379 2.983402 
1 1 1   18   26   15 o   15.392   1.8932  254.131   52.909  311.761   70.596  180.277   79.917   17.734   2.0507   13.050   3.1831 4.683971 3.786461 
1 1 1   18   26   16 o   7.3730   2.1951   13.771   53.304   12.357   72.008   15.485   79.282   7.1845   3.0267   7.5615   3.1802 -0.3770151 4.390276 
1 1 1   18   26   17 o   23.711   1.2797  565.662   57.814  612.421   76.966  505.115   87.582   24.909   1.5918   22.512   2.0041 2.396767 2.559354 
1 1 1   18   26   18 o   28.767   1.0905  815.216   60.751  745.680   83.130  894.920   89.001   27.449   1.5601   30.084   1.5240 -2.634924 2.180974 
1 1 1   18   26   19 o   15.767   1.9892  262.740   59.456  269.158   82.080  255.656   86.242   16.145   2.6190   15.389   2.9947 0.7557611 3.978368 
1 1 1   18   26   20 o   13.366   2.8324  204.943   81.601  139.893  110.582  282.714  120.912   11.268   4.0131   15.465   3.9983 -4.197203 5.664879 
1 1 1   18   27    0 o   50.668   0.6657  2493.06   65.462  2447.32   91.550  2540.92   93.639   50.193   0.9396   51.143   0.9432 -0.9506111 1.331357 
1 1 1   18   27    1 o   37.177   0.7423  1344.02   53.386  1355.19   72.734  1330.96   78.605   37.347   1.0033   37.008   1.0942 0.3391266 1.484528 
1 1 1   18   27    2 o   87.958   0.8155  7516.58  139.122  7436.59  192.270  7604.47  201.553   87.470   1.1324   88.447   1.1739 -0.9770813 1.631066 
1 1 1   18   27    3 o   64.432   0.7099  4038.09   88.611  4105.10  122.033  3963.36  128.875   65.000   0.9672   63.863   1.0396 1.137230 1.419895 
1 1 1   18   27    4 o   72.470   0.7456  5104.47  104.870  5196.52  148.064  5011.82  148.555   73.126   1.0431   71.813   1.0657 1.313210 1.491178 
1 1 1   18   27    5 o   62.807   0.7179  3829.27   87.477  3987.46  126.083  3682.46  121.468   64.057   1.0140   61.558   1.0165 2.498737 1.435768 
1 1 1   18   27    6 o   35.127   0.8452  1201.78   57.506  1235.06   79.421  1165.10   83.374   35.642   1.1479   34.613   1.2409 1.029167 1.690407 
1 1 1   18   27    7 o   24.128   1.1375  567.106   53.256  586.555   75.548  547.894   75.085   24.540   1.5859   23.715   1.6310 0.8249149 2.274950 
1 1 1   18   27    8 o   16.013   1.6424  251.779   50.818  259.410   69.285  242.893   74.763   16.284   2.1918   15.742   2.4466 0.5421133 3.284773 
1 1 1   18   27    9 o   47.306   0.7470  2181.73   67.797  2209.78   89.616  2144.18  103.671   47.671   0.9684   46.942   1.1377 0.7294960 1.494075 
1 1 1   18   27   10 o   26.929   1.2469  710.869   59.916  714.242   71.892  703.198  108.417   27.071   1.3681   26.787   2.0850 0.2835541 2.493750 
1 1 1   18   27   11 o   48.145   0.7538  2243.02   69.964  2149.41   92.836  2366.09  106.442   46.996   1.0176   49.295   1.1124 -2.299030 1.507625 
1 1 1   18   27   12 o   7.9543   2.1587   41.075   48.578   69.518   62.452  -2.4968   77.296   8.7376   3.0233   7.1709   3.0821 1.566721 4.317391 
1 1 1   18   27   13 o   34.632   0.8328  1167.93   55.902  1138.66   76.586  1201.31   81.783   34.172   1.1546   35.093   1.2006 -0.9207726 1.665636 
1 1 1   18   27   14 f   50.780   0.7559  2506.09   74.101  2430.92   99.061  2601.59  111.655   49.930   1.0221   51.631   1.1141 -1.700527 1.511856 
1 1 1   18   27   15 o   33.271   0.9430  1094.98   60.315  1199.92   82.643  975.386   88.228   35.020   1.2157   31.523   1.4418 3.497280 1.885966 
1 1 1   18   27   16 o   33.736   0.9150  1112.73   59.755  1001.43   82.265  1237.06   86.942   31.947   1.3266   35.525   1.2607 -3.578699 1.830086 
1 1 1   18   27   17 o   15.876   1.8994  267.443   55.423  190.498   79.215  341.230   77.572   13.310   3.1201   18.443   2.1668 -5.132161 3.798729 
1 1 1   18   27   18 o   17.961   1.5278  325.833   53.168  303.502   75.149  348.215   75.233   17.320   2.2351   18.602   2.0835 -1.281664 3.055595 
1 1 1   18   27   19 o   14.092   2.1549  217.189   57.366  251.791   81.622  183.412   80.643   15.315   2.8504   12.869   3.2324 2.445839 4.309703 
1 1 1   18   27   20 o   25.567   1.6929  680.758   83.463  748.968  116.444  608.689  119.692   27.004   2.2214   24.130   2.5552 2.873434 3.385832 
1 1 1   18   28    0 o   24.905   1.3957  532.317   54.873  487.313   60.666  734.807  128.683   22.383   1.3962   27.426   2.4171 -5.043373 2.791357 
1 1 1   18   28    1 o   37.092   0.7183  1338.95   51.513  1361.99   70.160  1311.99   75.877   37.440   0.9653   36.743   1.0638 0.6978798 1.436535 
1 1 1   18   28    2 o   65.135   0.7089  4122.38   89.626  4128.18  127.411  4116.69  126.099   65.180   1.0070   65.090   0.9980 0.9010315E-01 1.417760 
1 1 1   18   28    3 f   44.993   0.6961  1969.40   60.630  2001.93   83.091  1932.35   88.667   45.393   0.9430   44.593   1.0243 0.7998428 1.392258 
1 1 1   18   28    4 o   13.370   1.8689  180.966   46.786  179.576   66.314  182.343   66.019   13.316   2.6586   13.425   2.6275 -0.1090670 3.737895 
1 1 1   18   28    5 o   59.978   0.7062  3490.66   81.995  3428.58  111.408  3564.02  121.117   59.400   0.9662   60.557   1.0303 -1.157028 1.412488 
1 1 1   18   28    6 o   32.126   0.8703  1005.00   54.035  1017.08   73.301  990.635   79.968   32.341   1.1676   31.912   1.2909 0.4297104 1.740614 
1 1 1   18   28    7 o   84.185   0.8054  6893.04  131.612  6942.48  185.367  6842.79  186.897   84.491   1.1302   83.880   1.1478 0.6114273 1.610866 
1 1 1   18   28    8 o   49.018   0.8760  2272.86   78.714  2148.87   95.426  2536.86  139.238   47.005   1.0458   51.032   1.4056 -4.026073 1.751958 
1 1 1   18   28    9 o   33.699   1.0186  1089.05   63.190  1052.23   77.274  1163.36  109.783   32.875   1.2109   34.523   1.6382 -1.648090 2.037122 
1 1 1   18   28   10 f   49.865   0.7395  2427.07   71.351  2606.48   99.839  2239.79  102.007   51.760   0.9937   47.969   1.0955 3.791142 1.478999 
1 1 1   18   28   11 o   54.806   0.7305  2926.21   77.653  2996.82  108.583  2852.30  111.095   55.487   1.0081   54.124   1.0574 1.362267 1.460947 
1 1 1   18   28   12 o   7.3317   2.0792   4.6944   50.009   69.992   70.571 -61.1741   70.879   8.9635   3.2044   5.6999   2.6503 3.263575 4.158391 
1 1 1   18   28   13 o   20.378   1.3985  419.501   53.838  478.661   72.041  344.665   81.025   22.088   1.6802   18.667   2.2361 3.421721 2.796950 
1 1 1   18   28   14 o   6.6269   2.0770 -27.3912   53.816 -57.9206   73.919   7.0401   78.501   5.8759   2.7233   7.3779   3.1367 -1.502023 4.153940 
1 1 1   18   28   15 o   12.338   2.1287  161.489   50.547  155.223   71.446  167.768   71.523   12.090   3.0457   12.585   2.9747 -0.4948750 4.257351 
1 1 1   18   28   16 o   27.501   1.0211  743.625   54.489  716.127   76.460  772.003   77.673   26.981   1.4599   28.022   1.4279 -1.040918 2.042112 
1 1 1   18   28   17 o   42.371   0.8098  1759.06   66.544  1868.74   95.249  1654.48   93.005   43.669   1.1236   41.074   1.1665 2.594944 1.619642 
1 1 1   18   28   18 o   34.771   0.9073  1190.57   61.192  1127.77   85.939  1255.15   87.150   33.831   1.3086   35.711   1.2572 -1.880138 1.814658 
1 1 1   18   28   19 o   10.548   2.4784   84.210   63.014  221.120  107.537   12.619   77.763   13.816   3.8605   7.2803   3.1092 6.535425 4.956876 
1 1 1   18   28   20 o   11.689   2.8768  157.766   80.463  177.387  112.549  137.255  115.076   12.245   4.0602   11.134   4.0765 1.110771 5.753520 
1 1 1   18   29    0 o   28.979   0.8373  816.455   47.043  870.142   67.017  764.304   66.051   29.919   1.1539   28.039   1.2135 1.880795 1.674562 
1 1 1   18   29    1 o   38.763   0.7256  1459.01   54.444  1445.67   74.118  1474.65   80.237   38.573   0.9899   38.954   1.0611 -0.3815422 1.451127 
1 1 1   18   29    2 o   34.141   0.7518  1132.80   49.812  1134.06   69.653  1131.48   71.264   34.161   1.0504   34.121   1.0759 0.4007339E-01 1.503634 
1 1 1   18   29    3 o   45.360   0.6870  1998.49   60.439  1982.10   83.576  2016.46   87.508   45.166   0.9532   45.554   0.9896 -0.3878517 1.374036 
1 1 1   18   29    4 o   15.291   1.6497  237.166   45.283  144.590   62.472  339.656   65.733   11.914   2.7561   18.668   1.8139 -6.754465 3.299412 
1 1 1   18   29    5 o   27.541   0.9687  738.006   51.787  728.271   72.942  747.901   73.538   27.358   1.3735   27.724   1.3664 -0.3666306 1.937422 
1 1 1   18   29    6 f   36.482   0.8250  1294.50   58.413  1288.11   83.235  1300.70   81.995   36.392   1.1782   36.571   1.1550 -0.1789932 1.649934 
1 1 1   18   29    7 o   35.991   0.8508  1273.12   58.303  1333.21   76.473  1189.71   90.100   37.025   1.0640   34.957   1.3278 2.068619 1.701500 
1 1 1   18   29    8 o   55.279   0.8438  2981.55   85.837  2996.85  105.883  2952.20  146.607   55.512   0.9826   55.045   1.3720 0.4665451 1.687603 
1 1 1   18   29    9 o   64.154   0.7305  3997.87   90.834  3891.94  124.484  4118.50  132.841   63.250   1.0139   65.059   1.0519 -1.809177 1.460953 
1 1 1   18   29   10 o   51.480   0.7300  2575.01   72.854  2497.18   99.996  2663.07  106.360   50.655   1.0169   52.306   1.0475 -1.651180 1.459960 
1 1 1   18   29   11 o   12.773   2.0297  165.649   49.049  136.802   65.480  202.527   74.036   11.505   2.9254   14.041   2.8144 -2.536006 4.059430 
1 1 1   18   29   12 o   9.7264   2.2443   92.466   49.253  109.224   66.372   71.927   73.478   10.356   3.0769   9.0973   3.2679 1.258219 4.488514 
1 1 1   18   29   13 o   37.149   0.8416  1339.27   59.559  1305.79   76.711  1390.08   94.505   36.588   1.0801   37.710   1.2910 -1.122143 1.683253 
1 1 1   18   29   14 o   19.616   1.3577  381.126   51.638  363.578   73.479  398.249   72.583   19.159   1.9757   20.074   1.8627 -0.9151688 2.715351 
1 1 1   18   29   15 o   41.649   0.7969  1696.61   64.357  1803.01   91.857  1594.03   90.196   42.938   1.1020   40.360   1.1513 2.578789 1.593717 
1 1 1   18   29   16 o   9.6163   2.3554   88.036   54.215   64.187   74.623  114.695   78.900   8.7216   3.2661   10.511   3.3946 -1.789435 4.710718 
1 1 1   18   29   17 o   27.304   1.1531  742.090   60.782  824.749   85.619  658.105   86.303   28.878   1.5273   25.729   1.7280 3.148783 2.306219 
1 1 1   18   29   18 o   6.6430   2.0923 -23.2863   54.597 -48.5375   73.014   8.7402   82.228   5.8850   2.7201   7.4010   3.1799 -1.516060 4.184596 
1 1 1   18   29   19 f   9.4232   2.6946   49.423   80.693 -25.0812  111.814  130.399  116.568   7.7688   3.5035   11.078   4.0951 -3.308693 5.389270 
1 1 1   18   30    0 o   87.307   0.8314  7409.38  140.886  7387.46  197.256  7432.21  201.290   87.176   1.1656   87.438   1.1859 -0.2612915 1.662879 
1 1 1   18   30    1 o   79.938   0.7912  6211.76  122.753  6256.52  172.435  6165.77  174.787   80.231   1.1072   79.644   1.1305 0.5864258 1.582401 
1 1 1   18   30    2 o   49.148   0.6957  2345.51   66.305  2311.24   91.493  2383.42   96.226   48.771   0.9664   49.524   1.0009 -0.7535973 1.391335 
1 1 1   18   30    3 o   11.461   2.0680  132.822   45.934  124.385   61.412  143.536   69.204   11.057   2.8449   11.866   3.0021 -0.8091908 4.135951 
1 1 1   18   30    4 o   18.916   1.3077  342.782   47.417  275.980   62.971  430.256   72.059   16.821   1.9285   21.011   1.7668 -4.190058 2.615487 
1 1 1   18   30    5 o   71.004   0.7401  4900.52  102.009  4838.70  143.204  4964.19  145.344   70.550   1.0457   71.459   1.0478 -0.9088058 1.480300 
1 1 1   18   30    6 o   22.049   1.2010  475.974   51.198  504.224   70.780  444.973   74.147   22.743   1.6032   21.354   1.7888 1.389345 2.402086 
1 1 1   18   30    7 o   17.926   1.4547  311.934   50.331  291.829   66.986  338.000   76.273   17.272   1.9979   18.579   2.1148 -1.307419 2.909309 
1 1 1   18   30    8 o   32.213   0.9113  1013.41   56.344  1028.73   74.618  993.085   85.940   32.507   1.1825   31.920   1.3870 0.5862770 1.822631 
1 1 1   18   30    9 o   65.261   0.7324  4145.03   92.770  4176.20  130.672  4113.35  131.727   65.510   1.0276   65.012   1.0438 0.4974823 1.464716 
1 1 1   18   30   10 o   50.160   0.8693  2482.07   79.967  2546.12   98.845  2360.73  136.049   51.145   0.9956   49.174   1.4252 1.970592 1.738546 
1 1 1   18   30   11 f   21.984   1.1941  480.686   50.166  543.589   68.517  408.004   73.651   23.580   1.4969   20.389   1.8609 3.191374 2.388223 
1 1 1   18   30   12 o   28.934   1.0100  807.713   56.323  698.708   75.024  948.489   85.259   26.725   1.4462   31.144   1.4103 -4.418650 2.019969 
1 1 1   18   30   13 o   24.349   1.1765  584.571   55.389  563.118   81.087  603.338   75.840   23.913   1.7468   24.785   1.5763 -0.8724232 2.352912 
1 1 1   18   30   14 o   14.433   1.9027  212.771   51.813  265.361   76.287  167.738   70.593   16.264   2.4163   12.601   2.9397 3.662810 3.805316 
1 1 1   18   30   15 o   11.333   2.3538  135.401   55.743  162.627   80.024  109.738   77.693   12.315   3.2864   10.352   3.3706 1.962914 4.707605 
1 1 1   18   30   16 o   6.0221   1.9741 -58.8163   54.836 -74.0804   74.588 -40.8621   80.894   5.6047   2.6419   6.4394   2.9340 -0.8347411 3.948126 
1 1 1   18   30   17 o   24.802   1.2357  615.126   59.209  648.222   81.423  577.985   86.255   25.550   1.6417   24.054   1.8473 1.495987 2.471347 
1 1 1   18   30   18 o   27.948   1.1545  778.281   62.598  793.599   87.700  762.372   89.378   28.243   1.5997   27.653   1.6650 0.5893879 2.308932 
1 1 1   18   30   19 o   29.383   1.5859  891.959   89.761  1002.53  126.143  778.544  127.755   31.357   2.0723   27.409   2.4012 3.948706 3.171776 
1 1 1   18   31    0 o   53.175   0.6706  2743.25   69.091  2683.07   94.480  2812.42  101.294   52.550   0.9262   53.799   0.9699 -1.249058 1.341116 
1 1 1   18   31    1 o   12.330   1.9072  154.751   44.305  157.242   60.709  151.913   64.807   12.448   2.5963   12.212   2.7944 0.2366247 3.814368 
1 1 1   18   31    2 o   47.623   0.7018  2204.85   64.828  2304.54   91.830  2105.80   91.533   48.698   0.9714   46.548   1.0130 2.149632 1.403505 
1 1 1   18   31    3 o   49.317   0.6983  2364.09   66.826  2378.10   93.451  2349.43   95.597   49.467   0.9732   49.166   1.0016 0.3009567 1.396563 
1 1 1   18   31    4 o   60.594   0.7263  3569.88   85.401  3681.58  120.851  3458.45  120.698   61.542   1.0116   59.645   1.0425 1.896881 1.452617 
1 1 1   18   31    5 o   6.0133   1.9321 -41.8769   49.271 -32.8909   68.929 -51.2660   70.457   6.1453   2.7630   5.8814   2.7016 0.2639136 3.864278 
1 1 1   18   31    6 o   42.372   0.7396  1734.00   60.490  1637.95   80.571  1858.06   91.572   41.040   1.0114   43.705   1.0794 -2.664673 1.479155 
1 1 1   18   31    7 o   28.071   0.9597  757.733   51.897  688.251   68.449  851.683   79.593   26.579   1.3267   29.562   1.3870 -2.982695 1.919319 
1 1 1   18   31    8 o   40.479   0.7535  1605.74   58.593  1685.40   78.647  1506.38   87.838   41.624   0.9733   39.334   1.1504 2.290195 1.506923 
1 1 1   18   31    9 o   20.379   1.2850  400.794   50.403  362.629   66.218  453.366   77.717   19.247   1.7723   21.511   1.8612 -2.264353 2.570032 
1 1 1   18   31   10 o   26.651   0.9819  694.517   50.534  704.069   68.339  682.993   75.064   26.862   1.3106   26.440   1.4626 0.4222908 1.963854 
1 1 1   18   31   11 o   12.364   2.0390  155.345   48.750  107.634   65.685  213.853   72.738   10.283   3.0622   14.445   2.6932 -4.161315 4.078046 
1 1 1   18   31   12 o   46.751   0.7559  2137.45   68.330  2207.50   93.518  2057.23  100.081   47.586   1.0124   45.915   1.1229 1.671219 1.511882 
1 1 1   18   31   13 f   32.397   0.8865  1026.78   55.736  995.432   78.219  1059.11   79.441   31.893   1.2634   32.901   1.2438 -1.008398 1.772972 
1 1 1   18   31   14 o   29.812   0.9785  869.747   56.521  821.333   77.141  925.863   83.050   28.922   1.3740   30.702   1.3935 -1.780247 1.956990 
1 1 1   18   31   15 o   39.403   0.8504  1523.04   64.935  1556.84   89.861  1486.10   93.938   39.874   1.1610   38.932   1.2430 0.9414711 1.700835 
1 1 1   18   31   16 o   7.2970   2.2115   1.0075   57.311 -34.3789   81.964   34.859   80.167   6.5856   2.9820   8.0083   3.2665 -1.422752 4.422952 
1 1 1   18   31   17 o   24.670   1.2182  606.587   58.275  603.852   84.253  609.095   80.689   24.601   1.7643   24.739   1.6802 -0.1379089 2.436361 
1 1 1   18   31   18 f   12.732   2.2407  179.732   55.172  187.646   79.042  172.213   77.045   13.011   3.1608   12.453   3.1769 0.5574312 4.481450 
1 1 1   18   31   19 o   11.309   2.7741  127.476   82.583   24.459  114.998  237.171  118.667   8.6305   3.7344   13.988   4.1032 -5.357329 5.548177 
1 1 1   18   32    0 f   47.311   0.6807  2172.74   62.469  2058.91   86.889  2294.53   89.876   46.030   0.9724   48.593   0.9528 -2.563717 1.361427 
1 1 1   18   32    1 o   44.801   0.6993  1948.09   60.743  1902.30   83.493  1999.58   88.535   44.244   0.9721   45.359   1.0055 -1.115200 1.398622 
1 1 1   18   32    2 o   46.953   0.6918  2139.98   62.843  2111.89   85.229  2173.44   93.028   46.618   0.9418   47.287   1.0134 -0.6698380 1.383517 
1 1 1   18   32    3 o   44.691   0.8006  1937.21   68.018  1967.14  108.096  1917.60   87.516   44.967   1.2384   44.414   1.0151 0.5529289 1.601226 
1 1 1   18   32    4 o   45.953   0.7341  2056.00   65.356  2102.85   90.272  2004.39   94.745   46.507   0.9999   45.400   1.0751 1.107780 1.468209 
1 1 1   18   32    5 o   9.1689   2.2529   74.970   48.997   73.630   67.213   76.491   71.576   9.0609   3.1364   9.2770   3.2351 -0.2161655 4.505848 
1 1 1   18   32    6 o   19.149   1.3250  359.147   48.971  364.900   66.137  352.166   72.860   19.327   1.7629   18.970   1.9786 0.3561916 2.649991 
1 1 1   18   32    7 o   17.783   1.4919  317.164   50.246  378.230   69.070  248.522   73.229   19.667   1.8092   15.899   2.3728 3.767702 2.983835 
1 1 1   18   32    8 o   19.963   1.3826  388.460   53.422  360.922   72.320  421.531   79.254   19.190   1.9414   20.736   1.9690 -1.545889 2.765146 
1 1 1   18   32    9 o   78.108   0.8048  5945.94  121.984  6100.90  172.150  5789.66  172.877   79.135   1.1207   77.081   1.1554 2.053978 1.609588 
1 1 1   18   32   10 o   15.146   1.6807  226.675   49.398  233.147   70.843  220.551   68.916   15.356   2.3766   14.936   2.3770 0.4206247 3.361318 
1 1 1   18   32   11 o   17.888   1.5792  318.943   54.387  353.709   75.449  281.337   78.470   18.936   2.0525   16.839   2.4006 2.097557 3.158446 
1 1 1   18   32   12 o   27.676   1.0311  749.772   55.276  732.725   75.406  769.570   81.265   27.344   1.4207   28.008   1.4947 -0.6646633 2.062122 
1 1 1   18   32   13 o   7.2864   2.1820   8.4140   53.683  -7.5641   76.035   24.295   75.804   6.9126   3.0136   7.6602   3.1564 -0.7476153 4.363954 
1 1 1   18   32   14 o   6.4752   2.0567 -30.8760   53.763 -46.3185   72.603 -12.1267   79.999   5.9746   2.7437   6.9757   3.0647 -1.001181 4.113411 
1 1 1   18   32   15 o   29.740   1.0250  868.576   59.030  958.910   85.962  787.967   81.203   31.208   1.4190   28.273   1.4796 2.935640 2.050037 
1 1 1   18   32   16 o   28.032   1.0628  777.422   57.758  825.822   81.990  729.741   81.379   28.913   1.4609   27.151   1.5440 1.761772 2.125595 
1 1 1   18   32   17 o   6.8821   2.1380  -9.7171   55.290   11.192   80.411 -28.4676   76.147   7.3801   3.1570   6.3840   2.8840 0.9960918 4.275998 
1 1 1   18   32   18 o   20.419   2.2201  448.263   87.790  491.248  126.946  408.861  121.539   21.409   3.0546   19.428   3.2227 1.981028 4.440268 
1 1 1   18   33    0 o   26.950   0.9011  707.299   47.086  729.690   65.765  683.749   67.447   27.390   1.2369   26.510   1.3106 0.8797073 1.802160 
1 1 1   18   33    1 o   40.396   0.7282  1586.89   57.070  1606.34   79.651  1566.36   81.811   40.652   1.0094   40.140   1.0499 0.5115089 1.456435 
1 1 1   18   33    2 o   19.392   1.3862  371.495   51.557  319.584   74.994  418.018   70.996   18.081   2.1367   20.702   1.7667 -2.621273 2.772462 
1 1 1   18   33    3 o   44.715   0.7234  1947.94   62.651  2018.55   86.821  1871.23   90.497   45.566   0.9816   43.865   1.0628 1.700676 1.446724 
1 1 1   18   33    4 o   57.243   0.7073  3193.67   78.288  3277.25  106.918  3097.07  114.949   58.058   0.9487   56.428   1.0494 1.629429 1.414660 
1 1 1   18   33    5 o   46.270   0.7084  2076.07   63.291  2024.26   84.783  2141.28   95.119   45.625   0.9573   46.916   1.0444 -1.291702 1.416773 
1 1 1   18   33    6 o   27.708   0.9227  753.309   49.149  794.006   66.210  703.361   73.350   28.556   1.1945   26.859   1.4068 1.696152 1.845496 
1 1 1   18   33    7 o   29.738   1.0817  865.936   57.629  869.995   69.356  856.883  103.573   29.885   1.1955   29.591   1.8031 0.2940502 2.163443 
1 1 1   18   33    8 o   54.300   0.7272  2870.10   76.597  2860.42  106.295  2880.55  110.474   54.208   1.0102   54.392   1.0463 -0.1845512 1.454362 
1 1 1   18   33    9 o   19.204   1.3835  364.142   50.937  295.885   71.300  435.292   72.795   17.336   2.1187   21.071   1.7797 -3.734932 2.766970 
1 1 1   18   33   10 o   38.922   0.8180  1476.96   61.360  1473.40   81.974  1481.49   92.533   38.880   1.0862   38.964   1.2234 -0.8444977E-01 1.635976 
1 1 1   18   33   11 o   13.708   1.9702  192.886   51.499  147.288   71.768  241.288   73.942   11.854   3.0880   15.563   2.4476 -3.708606 3.940372 
1 1 1   18   33   12 o   43.783   0.7691  1872.33   65.266  2007.80   93.040  1741.09   91.577   45.350   1.0569   42.216   1.1175 3.133869 1.538117 
1 1 1   18   33   13 o   6.8584   2.0921  -3.5314   50.520 -19.3572   67.165   17.088   76.665   6.2226   2.7674   7.4942   3.1382 -1.271552 4.184147 
1 1 1   18   33   14 o   15.150   1.8474  235.652   53.134  236.782   77.240  234.637   73.207   15.051   2.7448   15.248   2.4733 -0.1966219 3.694726 
1 1 1   18   33   15 o   33.683   0.9036  1114.87   59.062  1123.67   84.696  1106.54   82.404   33.809   1.2905   33.558   1.2650 0.2504120 1.807117 
1 1 1   18   33   16 o   22.293   1.4456  504.724   61.812  580.575   86.408  425.228   88.459   24.097   1.8472   20.488   2.2242 3.608671 2.891232 
1 1 1   18   33   17 o   43.542   0.8610  1867.47   72.773  1855.72  102.193  1879.56  103.656   43.406   1.2129   43.678   1.2225 -0.2728500 1.722098 
1 1 1   18   33   18 o   30.714   1.5500  969.778   92.237  1006.99  128.429  930.135  132.554   31.387   2.1079   30.042   2.2730 1.344706 3.099961 
1 1 1   18   34    0 o   35.694   0.7322  1240.88   50.618  1329.83   71.341  1150.71   71.832   36.986   0.9936   34.401   1.0757 2.585545 1.464387 
1 1 1   18   34    1 o   32.398   0.8778  1020.78   54.492  1025.56   84.174  1017.33   71.496   32.457   1.3360   32.340   1.1389 0.1172714 1.755535 
1 1 1   18   34    2 o   26.025   0.9392  658.155   47.394  619.096   65.477  701.142   68.690   25.215   1.3377   26.835   1.3187 -1.620066 1.878391 
1 1 1   18   34    3 o   15.065   1.7568  238.789   47.528  325.906   65.918  144.461   68.591   18.262   1.8595   11.867   2.9813 6.394393 3.513677 
1 1 1   18   34    4 o   18.262   1.3646  322.706   47.726  255.525   64.231  405.519   71.313   16.154   2.0483   20.370   1.8034 -4.216379 2.729113 
1 1 1   18   34    5 o   16.626   1.4959  275.455   47.468  310.117   64.485  234.461   70.129   17.805   1.8658   15.447   2.3388 2.357974 2.991861 
1 1 1   18   34    6 o   25.855   1.1350  635.456   55.687  575.820   70.403  735.121   91.014   24.289   1.4932   27.421   1.7099 -3.131290 2.270061 
1 1 1   18   34    7 o   24.324   1.0335  578.661   48.570  588.145   65.896  567.381   71.869   24.550   1.3827   24.098   1.5364 0.4523869 2.066976 
1 1 1   18   34    8 f   24.562   1.0809  578.459   50.762  528.555   65.332  654.481   80.636   23.260   1.4469   25.864   1.6061 -2.603434 2.161760 
1 1 1   18   34    9 o   44.830   0.7328  1959.16   63.357  1969.48   85.046  1946.29   94.975   44.973   0.9742   44.688   1.0948 0.2846870 1.465512 
1 1 1   18   34   10 o   31.989   0.9060  1000.60   55.774  1005.87   74.287  993.806   84.436   32.100   1.1922   31.878   1.3645 0.2214222 1.811944 
1 1 1   18   34   11 o   28.501   0.9801  798.129   54.065  744.771   77.535  848.627   75.428   27.558   1.4494   29.443   1.3197 -1.884613 1.960195 
1 1 1   18   34   12 o   20.062   1.3710  396.960   53.245  366.621   72.204  433.125   78.832   19.228   1.9345   20.897   1.9434 -1.669252 2.742080 
1 1 1   18   34   13 o   20.230   1.4072  414.851   53.917  504.973   75.128  319.138   77.424   22.604   1.7122   17.857   2.2335 4.746477 2.814309 
1 1 1   18   34   14 o   7.5711   2.1952   26.153   51.587   38.640   75.196   15.051   70.903   7.9680   3.1945   7.1742   3.0119 0.7937851 4.390464 
1 1 1   18   34   15 o   15.494   1.9728  251.616   58.019  237.832   82.466  265.127   81.644   14.909   2.9539   16.079   2.6157 -1.170776 3.945600 
1 1 1   18   34   16 o   9.0541   2.4548   69.498   60.221   61.624   81.120   79.166   89.882   8.7005   3.3694   9.4077   3.5709 -0.7071924 4.909564 
1 1 1   18   34   17 o   10.444   2.6637  114.211   68.064  104.474  112.413  119.847   85.523   10.383   3.9809   10.504   3.5402 -0.1208744 5.327333 
1 1 1   18   34   18 f   12.451   3.0281  185.630   89.137  161.555  128.971  207.647  123.334   11.834   4.3181   13.068   4.2463 -1.234502 6.056216 
1 1 1   18   35    0 o   41.712   0.7915  1702.33   63.403  1619.50   95.612  1767.34   84.706   40.794   1.2074   42.631   1.0236 -1.837330 1.582905 
1 1 1   18   35    1 o   33.604   0.7800  1104.38   50.447  1149.72   67.929  1048.62   75.328   34.383   1.0178   32.825   1.1822 1.557987 1.559944 
1 1 1   18   35    2 o   42.144   0.7133  1726.24   58.144  1713.24   78.789  1741.78   86.161   41.973   0.9670   42.314   1.0490 -0.3409729 1.426665 
1 1 1   18   35    3 o   20.554   1.1681  409.850   46.100  395.641   60.422  429.643   71.314   20.138   1.5457   20.970   1.7519 -0.8322563 2.336248 
1 1 1   18   35    4 o   16.427   1.4286  265.631   45.251  299.045   63.783  231.770   64.208   17.482   1.8795   15.371   2.1519 2.110812 2.857130 
1 1 1   18   35    5 o   55.220   0.7012  2967.27   75.102  2976.89  104.164  2956.86  108.383   55.316   0.9701   55.124   1.0129 0.1922073 1.402478 
1 1 1   18   35    6 o   21.765   1.2042  457.554   50.481  387.994   67.525  545.688   76.008   19.909   1.7472   23.621   1.6577 -3.711710 2.408458 
1 1 1   18   35    7 o   56.050   0.7195  3060.93   78.211  3213.78  110.556  2907.80  110.657   57.456   0.9912   54.643   1.0432 2.812489 1.439056 
1 1 1   18   35    8 o   47.772   0.7348  2222.50   68.112  2315.08   97.131  2132.94   95.538   48.753   1.0263   46.792   1.0518 1.961361 1.469601 
1 1 1   18   35    9 o   32.832   0.9079  1052.46   57.849  1034.63   80.767  1071.25   82.897   32.547   1.2784   33.117   1.2895 -0.5692101 1.815786 
1 1 1   18   35   10 o   27.046   1.0352  714.725   54.181  745.600   80.427  689.071   73.312   27.572   1.5027   26.520   1.4241 1.051714 2.070317 
1 1 1   18   35   11 o   44.932   0.7713  1973.62   67.201  2011.81   93.474  1932.77   96.681   45.390   1.0609   44.474   1.1199 0.9160385 1.542603 
1 1 1   18   35   12 o   13.982   2.0651  205.400   54.275  171.494   74.607  243.517   79.104   12.689   3.0636   15.274   2.7700 -2.585123 4.130198 
1 1 1   18   35   13 o   25.810   1.1459  655.418   57.290  692.491   84.483  623.855   77.953   26.477   1.6437   25.143   1.5971 1.334152 2.291875 
1 1 1   18   35   14 o   14.590   2.0320  223.338   56.266  173.901   77.714  277.805   81.572   12.668   3.1683   16.511   2.5451 -3.842488 4.063997 
1 1 1   18   35   15 o   26.192   1.1896  685.371   60.193  733.882   83.377  632.562   86.991   27.202   1.5790   25.182   1.7796 2.020157 2.379112 
1 1 1   18   35   16 o   29.928   1.1199  891.141   65.042  915.532   91.946  866.711   92.020   30.349   1.5607   29.508   1.6065 0.8409576 2.239820 
1 1 1   18   35   17 o   51.115   1.1424  2613.55  113.344  2651.02  160.388  2576.17  160.196   51.492   1.6046   50.739   1.6265 0.7525101 2.284774 
1 1 1   18   36    0 o   18.960   1.2339  351.756   45.315  364.457   62.812  337.972   65.439   19.322   1.6747   18.597   1.8127 0.7245064 2.467855 
1 1 1   18   36    1 o   17.618   1.3144  301.795   44.753  264.978   61.053  344.553   65.794   16.459   1.9109   18.776   1.8052 -2.317146 2.628713 
1 1 1   18   36    2 o   15.577   1.5196  237.300   45.657  232.573   60.954  243.343   68.914   15.409   2.0378   15.745   2.2547 -0.3365955 3.039178 
1 1 1   18   36    3 o   11.630   1.9981  136.926   44.534  118.503   59.338  160.687   67.390   10.754   2.8111   12.507   2.8404 -1.753597 3.996281 
1 1 1   18   36    4 o   11.627   2.0079  142.663   45.771  178.322   61.656   98.885   68.315   13.243   2.4898   10.010   3.1509 3.232400 4.015880 
1 1 1   18   36    5 o   34.038   0.7990  1128.27   52.688  1124.35   72.239  1132.73   77.013   33.978   1.0952   34.097   1.1635 -0.1189919 1.597909 
1 1 1   18   36    6 o   11.324   1.9497  135.852   45.938  190.830   60.972   63.668   69.865   13.914   2.2575   8.7341   3.1795 5.179427 3.899450 
1 1 1   18   36    7 o   15.332   1.7468  240.223   49.406  258.493   64.810  214.874   76.339   16.206   2.0601   14.457   2.8214 1.748873 3.493516 
1 1 1   18   36    8 f   22.821   1.1746  515.618   51.513  565.629   70.518  458.398   75.430   24.039   1.5112   21.603   1.7987 2.436020 2.349279 
1 1 1   18   36    9 o   39.666   0.8130  1537.36   62.439  1554.88   85.568  1517.41   91.317   39.917   1.1043   39.415   1.1935 0.5017052 1.626007 
1 1 1   18   36   10 o   12.999   2.0677  176.001   50.689  162.753   67.840  192.745   76.267   12.456   2.8654   13.543   2.9819 -1.087008 4.135480 
1 1 1   18   36   11 o   10.955   2.2684  127.486   51.283  137.577   67.199  113.412   79.356   11.395   2.9977   10.515   3.4053 0.8795195 4.536801 
1 1 1   18   36   12 o   8.5836   2.2799   60.475   51.662   50.732   74.834   69.346   71.407   8.3384   3.2342   8.8289   3.2144 -0.4905720 4.559896 
1 1 1   18   36   13 o   6.2107   2.0201 -64.5881   59.163  -3.4868   72.538 -186.0105  102.256   6.7983   2.9538   5.6230   2.7567 1.175312 4.040284 
1 1 1   18   36   14 o   7.8625   2.2959   29.410   56.889   31.754   81.198   27.151   79.727   7.9460   3.2695   7.7790   3.2240 0.1669450 4.591728 
1 1 1   18   36   15 o   14.099   2.2052  218.228   59.121  171.820   83.342  265.239   83.881   12.442   3.3681   15.756   2.8473 -3.313621 4.410384 
1 1 1   18   36   16 o   8.2219   2.2956   30.000   57.712  105.234   87.273 -28.4668   76.935   10.058   3.5669   6.3858   2.8905 3.672256 4.591100 
1 1 1   18   36   17 o   17.598   2.5288  352.500   84.873  443.644  122.872  269.330  117.374   20.202   3.1332   14.994   3.9701 5.208109 5.057510 
1 1 1   18   37    0 o   89.303   0.8512  7763.25  147.479  7690.02  204.974  7841.84  212.356   88.870   1.1882   89.736   1.2191 -0.8655014 1.702319 
1 1 1   18   37    1 o   42.070   0.7872  1716.90   62.511  1697.87   79.400  1747.92  101.385   41.778   0.9791   42.362   1.2329 -0.5835419 1.574375 
1 1 1   18   37    2 o   49.466   0.6786  2381.40   65.096  2407.62   90.378  2353.12   93.838   49.752   0.9358   49.180   0.9829 0.5718536 1.357177 
1 1 1   18   37    3 o   24.943   0.9770  606.898   47.248  647.148   67.370  567.937   66.282   25.760   1.3473   24.126   1.4153 1.633915 1.954023 
1 1 1   18   37    4 o   27.871   0.9243  762.867   49.646  820.848   68.052  696.904   72.586   29.021   1.2080   26.721   1.3994 2.299608 1.848652 
1 1 1   18   37    5 o   20.466   1.2368  410.054   49.054  405.226   67.303  415.525   71.646   20.342   1.7044   20.589   1.7926 -0.2471447 2.473564 
1 1 1   18   37    6 o   24.567   1.0459  588.343   49.721  525.747   68.528  657.929   72.253   23.185   1.5226   25.948   1.4345 -2.762455 2.091896 
1 1 1   18   37    7 o   27.055   0.9940  718.765   51.960  775.126   72.224  658.297   74.809   28.170   1.3208   25.939   1.4857 2.231369 1.987908 
1 1 1   18   37    8 o   18.411   1.4238  341.094   49.879  391.064   67.907  282.546   73.505   19.942   1.7542   16.881   2.2431 3.060760 2.847625 
1 1 1   18   37    9 o   5.8955   1.8997 -39.1100   48.039 -47.0975   68.839 -31.5273   67.071   5.7952   2.6651   5.9958   2.7078 -0.2006636 3.799348 
1 1 1   18   37   10 o   24.065   1.1734  572.298   54.575  509.595   76.952  635.751   77.411   22.716   1.7451   25.414   1.5691 -2.698330 2.346823 
1 1 1   18   37   11 o   10.466   2.2613  114.811   51.012   88.714   75.179  137.079   69.444   9.5748   3.3169   11.358   3.0745 -1.783126 4.522620 
1 1 1   18   37   12 o   16.008   1.7536  259.490   54.383  249.967   78.419  268.313   75.483   15.700   2.5731   16.316   2.3833 -0.6157131 3.507239 
1 1 1   18   37   13 o   55.372   0.7820  3004.46   84.057  2997.17  119.290  3011.64  118.463   55.303   1.1112   55.442   1.1007 -0.1383133 1.564087 
1 1 1   18   37   14 o   24.011   1.2705  581.539   58.522  518.104   86.303  635.535   79.625   22.724   1.9565   25.297   1.6215 -2.573509 2.541078 
1 1 1   18   37   15 o   23.297   1.3500  547.122   60.531  462.054   84.676  636.024   86.563   21.382   2.0401   25.211   1.7688 -3.828716 2.700078 
1 1 1   18   37   16 o   33.863   1.3226  1169.36   78.984  1128.92  144.169  1186.70   94.414   33.154   2.2401   34.572   1.4068 -1.418472 2.645264 
1 1 1   18   38    0 o   67.545   0.8359  4402.09  104.583  4307.79  129.128  4581.89  178.302   66.537   0.9997   68.553   1.3399 -2.016029 1.671746 
1 1 1   18   38    1 o   41.663   0.6977  1689.12   56.356  1690.45   77.762  1687.64   81.790   41.683   0.9610   41.643   1.0118 0.4003906E-01 1.395476 
1 1 1   18   38    2 o   24.597   0.9967  592.719   47.319  615.888   64.392  565.519   69.769   25.130   1.3200   24.064   1.4936 1.065741 1.993321 
1 1 1   18   38    3 o   33.802   0.7987  1111.99   52.382  1076.81   72.651  1150.07   75.595   33.246   1.1257   34.358   1.1335 -1.111481 1.597500 
1 1 1   18   38    4 o   37.814   0.7540  1392.71   55.336  1431.16   78.606  1354.94   77.912   38.333   1.0564   37.295   1.0762 1.037228 1.508016 
1 1 1   18   38    5 o   38.044   0.7717  1409.67   56.917  1510.23   81.483  1313.86   79.537   39.372   1.0662   36.716   1.1160 2.655464 1.543386 
1 1 1   18   38    6 o   38.100   0.8149  1422.60   59.942  1505.77   82.252  1328.40   87.536   39.305   1.0780   36.895   1.2222 2.409554 1.629741 
1 1 1   18   38    7 o   22.541   1.2140  499.053   53.106  484.367   74.239  514.442   75.997   22.201   1.7227   22.882   1.7110 -0.6807728 2.427966 
1 1 1   18   38    8 o   9.6349   2.3022   89.531   51.385   76.199   72.446  103.028   72.895   9.1500   3.2493   10.120   3.2623 -0.9698000 4.604443 
1 1 1   18   38    9 o   35.736   0.8691  1250.69   60.209  1233.37   87.105  1266.54   83.317   35.491   1.2643   35.982   1.1928 -0.4914894 1.738227 
1 1 1   18   38   10 o   9.5681   2.2376   80.354   52.287  145.642   76.710   23.698   71.459   11.683   3.2591   7.4530   3.0670 4.230216 4.475301 
1 1 1   18   38   11 o   21.848   1.2970  473.447   54.985  458.606   77.793  488.264   77.728   21.498   1.8641   22.198   1.8039 -0.6996918 2.594014 
1 1 1   18   38   12 o   37.380   0.9156  1374.10   66.348  1289.50   93.708  1459.14   93.953   36.211   1.3331   38.548   1.2556 -2.336784 1.831300 
1 1 1   18   38   13 o   18.801   1.5383  355.621   56.047  384.156   81.762  330.327   76.978   19.516   2.1583   18.086   2.1926 1.429831 3.076634 
1 1 1   18   38   14 o   37.454   0.9069  1384.14   65.853  1441.28   92.270  1324.82   94.016   38.260   1.2424   36.647   1.3216 1.612545 1.813857 
1 1 1   18   38   15 o   37.007   0.9282  1354.93   66.497  1371.01   91.082  1336.57   97.306   37.269   1.2590   36.745   1.3642 0.5244026 1.856358 
1 1 1   18   38   16 o   30.975   1.5294  983.786   91.596  991.199  135.748  977.590  124.107   31.009   2.2552   30.941   2.0663 0.6814766E-01 3.058707 
1 1 1   18   39    0 o   50.133   0.6625  2450.18   64.339  2603.16   90.325  2292.61   91.669   51.729   0.8995   48.536   0.9729 3.192924 1.325048 
1 1 1   18   39    1 o   39.601   0.7118  1525.01   54.652  1494.65   75.201  1559.00   79.562   39.186   0.9886   40.016   1.0243 -0.8303986 1.423544 
1 1 1   18   39    2 o   33.301   0.7773  1077.25   50.162  1028.40   68.562  1133.52   73.584   32.492   1.0870   34.109   1.1113 -1.617352 1.554577 
1 1 1   18   39    3 o   69.991   0.7379  4770.28  100.154  4749.78  138.453  4792.78  145.056   69.838   1.0213   70.143   1.0653 -0.3050842 1.475783 
1 1 1   18   39    4 o   47.030   0.7035  2152.47   64.032  2134.91   87.042  2173.18   94.530   46.827   0.9576   47.233   1.0310 -0.4061852 1.407083 
1 1 1   18   39    5 o   39.534   0.7275  1520.17   55.651  1490.28   75.425  1555.89   82.448   39.113   0.9934   39.954   1.0631 -0.8410759 1.454973 
1 1 1   18   39    6 o   16.354   1.5409  266.897   48.427  284.299   65.498  245.911   71.926   16.973   1.9879   15.734   2.3550 1.239612 3.081818 
1 1 1   18   39    7 o   33.460   0.8685  1094.35   56.358  1089.58   77.952  1099.56   81.575   33.388   1.2027   33.531   1.2533 -0.1425591 1.737025 
1 1 1   18   39    8 o   16.274   1.6107  264.290   50.883  265.269   71.878  263.307   72.039   16.305   2.2709   16.242   2.2849 0.6312752E-01 3.221458 
1 1 1   18   39    9 o   10.226   2.3031  103.392   52.939   66.632   72.473  145.443   77.515   8.7717   3.2315   11.679   3.2826 -2.907786 4.606258 
1 1 1   18   39   10 o   28.400   0.9744  790.191   53.626  758.976   73.284  826.171   78.679   27.803   1.3578   28.998   1.3978 -1.194733 1.948711 
1 1 1   18   39   11 o   18.129   1.5850  329.311   55.474  320.397   74.251  340.574   83.458   17.880   2.1393   18.378   2.3394 -0.4977913 3.170045 
1 1 1   18   39   12 o   6.9659   2.1546  -8.2117   55.918   12.637   76.880 -31.6299   81.481   7.3254   3.1089   6.6064   2.9840 0.7190509 4.309254 
1 1 1   18   39   13 o   13.588   2.1981  201.331   56.766  215.111   80.519  187.715   80.041   14.089   3.0338   13.087   3.1817 1.002378 4.396229 
1 1 1   18   39   14 o   9.2044   2.4025   70.991   59.836   19.306   83.356  125.937   85.945   7.6499   3.2414   10.759   3.5471 -3.109023 4.805082 
1 1 1   18   39   15 o   9.1368   2.6492   59.336   70.805   64.186  127.457   57.172   85.152   9.7087   4.0544   8.5649   3.4110 1.143764 5.298386 
1 1 1   18   40    0 o   18.379   1.2257  338.078   42.754  396.673   58.522  271.006   62.612   20.146   1.4965   16.612   1.9416 3.533510 2.451367 
1 1 1   18   40    1 o   6.0396   1.8432 -24.0864   41.587 -66.8999   55.848   29.204   62.307   4.7479   2.2523   7.3313   2.9184 -2.583416 3.686439 
1 1 1   18   40    2 f   27.540   0.9038  742.758   48.099  774.273   65.882  706.787   70.387   28.176   1.2045   26.904   1.3478 1.272242 1.807587 
1 1 1   18   40    3 o   28.299   0.8872  779.115   48.525  756.420   65.261  807.178   72.570   27.845   1.2074   28.752   1.3002 -0.9073009 1.774348 
1 1 1   18   40    4 o   13.534   1.8345  199.481   45.956  274.069   62.214  109.911   68.176   16.686   1.9207   10.382   3.1262 6.304142 3.669079 
1 1 1   18   40    5 o   35.930   0.7832  1264.00   54.202  1297.98   72.868  1221.91   81.099   36.486   1.0288   35.375   1.1810 1.111027 1.566315 
1 1 1   18   40    6 o   14.494   1.6949  214.467   45.946  226.818   61.504  198.870   69.115   15.126   2.0947   13.863   2.6652 1.262909 3.389826 
1 1 1   18   40    7 o   36.562   0.8120  1307.20   57.266  1310.90   76.858  1302.58   85.859   36.635   1.0807   36.490   1.2121 0.1458549 1.623975 
1 1 1   18   40    8 f   16.827   1.5682  284.324   50.551  291.772   66.888  274.404   77.194   17.129   2.0117   16.526   2.4063 0.6029415 3.136450 
1 1 1   18   40    9 o   43.239   0.7473  1827.25   62.720  1822.92   88.177  1831.68   89.232   43.189   1.0518   43.290   1.0619 -0.1008072 1.494584 
1 1 1   18   40   10 o   20.489   1.3743  419.360   54.291  477.454   77.156  362.386   76.408   21.933   1.8122   19.045   2.0667 2.887959 2.748694 
1 1 1   18   40   11 o   28.402   1.0631  798.027   58.508  838.811   81.979  755.686   83.529   29.160   1.4483   27.643   1.5566 1.517071 2.126151 
1 1 1   18   40   12 o   18.822   1.6264  357.097   58.932  426.071   86.971  298.542   80.134   20.532   2.1821   17.112   2.4124 3.420572 3.252875 
1 1 1   18   40   13 o   10.734   2.4685  123.756   59.582  148.663   84.792   99.463   83.741   11.576   3.4865   9.8922   3.4955 1.683835 4.937048 
1 1 1   18   40   14 o   28.465   1.1685  810.239   64.498  802.709   93.099  817.189   89.439   28.317   1.6937   28.613   1.6102 -0.2961273 2.336962 
1 1 1   18   40   15 o   7.6868   2.5163 -57.9787   87.538 -41.6657  135.058 -69.7963  114.953   8.1844   3.7524   7.1893   3.3536 0.9950404 5.032590 
1 1 1   18   41    0 o   51.596   0.6661  2591.55   66.717  2580.07   94.046  2603.19   94.661   51.481   0.9411   51.710   0.9430 -0.2297668 1.332276 
1 1 1   18   41    1 f   43.520   0.6888  1845.83   58.147  1905.14   81.638  1784.76   82.840   44.234   0.9508   42.806   0.9969 1.427067 1.377616 
1 1 1   18   41    2 o   27.990   0.8963  765.739   48.651  791.612   68.102  738.775   69.525   28.478   1.2319   27.502   1.3023 0.9759197 1.792668 
1 1 1   18   41    3 f   56.119   0.7095  3069.96   77.105  3079.37  105.528  3059.18  112.933   56.220   0.9670   56.019   1.0385 0.2008705 1.419015 
1 1 1   18   41    4 o   23.824   1.0456  554.028   48.250  519.892   65.691  594.019   71.102   23.032   1.4693   24.616   1.4880 -1.584213 2.091171 
1 1 1   18   41    5 o   13.113   1.9244  178.936   47.381  173.736   67.113  184.103   66.902   12.909   2.7618   13.318   2.6806 -0.4091434 3.848782 
1 1 1   18   41    6 f   41.439   0.7925  1673.19   63.650  1557.42   87.502  1803.29   92.759   39.919   1.1292   42.959   1.1123 -3.040062 1.585044 
1 1 1   18   41    7 o   16.015   1.7346  267.618   51.133  213.196   75.338  314.099   69.625   14.259   2.8217   17.771   2.0183 -3.511612 3.469234 
1 1 1   18   41    8 o   26.799   1.0979  709.648   56.881  639.185   80.679  779.290   80.207   25.452   1.6330   28.147   1.4680 -2.695496 2.195792 
1 1 1   18   41    9 o   23.340   1.2359  540.242   55.920  520.425   80.156  559.031   78.051   22.907   1.8026   23.772   1.6914 -0.8648205 2.471886 
1 1 1   18   41   10 o   17.853   1.6280  322.950   56.055  282.078   79.222  363.930   79.327   16.673   2.4478   19.034   2.1470 -2.360870 3.255954 
1 1 1   18   41   11 o   22.757   1.3362  525.685   58.048  444.673   85.193  595.890   79.307   21.021   2.0877   24.492   1.6681 -3.470758 2.672302 
1 1 1   18   41   12 o   26.889   1.1585  719.045   60.459  698.627   84.877  740.075   86.142   26.497   1.6502   27.281   1.6266 -0.7841930 2.317098 
1 1 1   18   41   13 o   29.818   1.1196  884.526   64.641  897.558   95.110  873.338   88.122   29.998   1.6333   29.639   1.5316 0.3593769 2.239121 
1 1 1   18   41   14 o   12.964   2.7292  195.380   68.712  195.130  135.886  195.466   79.645   12.728   4.4564   13.200   3.1518 -0.4718542 5.458374 
1 1 1   18   42    0 o   8.2210   2.4420   28.482   53.204   36.756   58.084 -14.6433  132.603   7.3812   2.8532   9.0607   3.9640 -1.679579 4.884076 
1 1 1   18   42    1 o   7.6715   2.0845   40.863   43.780   32.236   61.444   49.759   62.397   7.3630   2.9085   7.9800   2.9869 -0.6170239 4.169044 
1 1 1   18   42    2 o   15.847   1.4357  249.033   44.004  263.529   60.974  233.277   63.569   16.345   1.9218   15.349   2.1335 0.9954014 2.871399 
1 1 1   18   42    3 o   30.194   0.8588  891.766   50.291  911.965   70.183  870.448   72.100   30.551   1.1834   29.837   1.2449 0.7140713 1.717614 
1 1 1   18   42    4 o   37.541   0.7842  1376.93   57.096  1450.04   81.040  1304.87   80.456   38.536   1.0833   36.546   1.1341 1.990452 1.568375 
1 1 1   18   42    5 o   37.990   0.7922  1409.21   58.393  1469.97   84.049  1352.52   81.187   38.782   1.1164   37.199   1.1243 1.583439 1.584476 
1 1 1   18   42    6 o   35.015   0.8553  1201.88   58.062  1267.98   81.911  1135.13   82.313   35.993   1.1723   34.037   1.2458 1.956131 1.710687 
1 1 1   18   42    7 o   19.204   1.4655  371.262   53.994  422.546   75.018  316.139   77.775   20.641   1.8723   17.768   2.2549 2.872473 2.930904 
1 1 1   18   42    8 o   14.057   1.9374  203.107   51.712  245.073   76.337  167.518   70.299   15.563   2.5268   12.550   2.9376 3.013438 3.874769 
1 1 1   18   42    9 o   8.3134   2.2907   47.058   54.467   77.027   77.225   17.391   76.833   9.1654   3.3419   7.4613   3.1340 1.704165 4.581474 
1 1 1   18   42   10 o   21.675   1.3659  467.641   57.145  541.808   83.820  403.230   78.112   23.298   1.8534   20.051   2.0068 3.246824 2.731712 
1 1 1   18   42   11 o   32.817   0.9998  1059.91   63.556  999.439   86.486  1130.91   93.711   31.809   1.4007   33.825   1.4272 -2.016216 1.999693 
1 1 1   18   42   12 o   8.1062   2.2291   4.4511   59.886  122.240   87.101 -101.1466   82.471   10.648   3.5728   5.5648   2.6665 5.082822 4.458148 
1 1 1   18   42   13 o   21.623   1.3830  474.104   57.781  419.289   80.990  530.927   82.460   20.302   2.0551   22.945   1.8514 -2.642872 2.766036 
1 1 1   18   43    0 o   12.301   2.1261  192.675   51.760  238.434   58.505   27.843  111.040   15.540   1.9395   9.0615   3.7842 6.478227 4.252237 
1 1 1   18   43    1 o   35.783   1.1467  1270.48   65.711  1280.02   74.483  1236.99  139.569   36.218   1.0594   35.349   2.0340 0.8683472 2.293346 
1 1 1   18   43    2 o   6.6103   1.9653   3.9494   43.823 -22.6220   61.725   30.956   62.229   5.8954   2.6352   7.3252   2.9164 -1.429758 3.930604 
1 1 1   18   43    3 o   7.0695   2.0419   19.209   44.854   0.6277   62.111   39.461   64.842   6.4559   2.7685   7.6831   3.0021 -1.227209 4.083777 
1 1 1   18   43    4 o   8.4316   1.8584   32.411   46.563 -92.1470   66.989  148.840   64.766   4.9813   2.3912   11.882   2.8456 -6.900496 3.716897 
1 1 1   18   43    5 o   20.330   1.3012  408.358   51.219  369.636   70.541  451.538   74.490   19.304   1.8825   21.356   1.7968 -2.052155 2.602346 
1 1 1   18   43    6 o   19.774   1.3276  390.301   50.501  410.056   68.156  366.252   75.200   20.366   1.7240   19.183   2.0195 1.183479 2.655285 
1 1 1   18   43    7 o   14.688   1.7665  223.267   48.686  243.969   66.575  199.469   71.380   15.605   2.1978   13.772   2.7661 1.833153 3.532908 
1 1 1   18   43    8 o   20.051   1.4087  402.406   54.375  407.586   72.699  395.829   81.921   20.237   1.8506   19.866   2.1244 0.3719254 2.817374 
1 1 1   18   43    9 o   17.198   1.6565  302.848   54.671  330.030   74.450  271.036   80.542   18.111   2.1176   16.285   2.5479 1.826641 3.313029 
1 1 1   18   43   10 o   35.991   0.8892  1271.06   62.002  1215.74   84.523  1335.52   91.228   35.153   1.2386   36.829   1.2761 -1.675838 1.778369 
1 1 1   18   43   11 o   21.362   1.4737  461.207   61.076  450.483   84.635  472.862   88.227   21.111   2.0653   21.613   2.1029 -0.5022106 2.947453 
1 1 1   18   43   12 o   24.708   1.3247  611.671   62.626  762.778   92.308  482.798   85.247   27.590   1.7236   21.826   2.0121 5.763981 2.649350 
1 1 1   18   43   13 o   13.751   3.1368  237.723   96.800  194.087  150.210  268.716  126.592   12.683   4.6553   14.819   4.2055 -2.135876 6.273568 
1 1 1   18   44    0 o   22.681   1.6412  496.408   55.384  487.153   60.936  540.361  132.797   22.289   1.4084   23.073   2.9650 -0.7844410 3.282457 
1 1 1   18   44    1 o   9.3165   2.3419   83.354   51.393  103.028   57.890   10.167  111.652   9.9540   2.8505   8.6789   3.7165 1.275134 4.683805 
1 1 1   18   44    2 o   20.035   1.7574  445.343   52.222  475.738   59.504  343.456  108.942   22.017   1.3922   18.053   3.2272 3.964743 3.514707 
1 1 1   18   44    3 o   25.473   0.9607  637.960   47.403  659.133   65.670  614.926   68.496   25.926   1.3049   25.020   1.4103 0.9060555 1.921383 
1 1 1   18   44    4 o   10.742   2.1502  122.731   47.248  139.329   64.028  102.888   70.009   11.472   2.8796   10.013   3.1939 1.458993 4.300386 
1 1 1   18   44    5 f   30.633   0.8937  921.656   53.041  967.945   74.123  873.082   75.931   31.434   1.2148   29.831   1.3112 1.602713 1.787457 
1 1 1   18   44    6 o   20.474   1.3701  425.902   53.249  489.524   72.253  350.265   78.781   22.248   1.6730   18.700   2.1702 3.547253 2.740242 
1 1 1   18   44    7 o   20.090   1.3667  402.605   53.146  363.873   74.261  443.270   76.092   19.079   2.0051   21.101   1.8576 -2.022348 2.733377 
1 1 1   18   44    8 o   10.316   2.2744  109.540   54.050  162.565   75.025   52.322   77.935   12.233   3.1428   8.3983   3.2886 3.834395 4.548816 
1 1 1   18   44    9 o   11.260   1.9706  113.958   56.084  261.218   80.799 -22.9630   77.910   15.933   2.6123   6.5863   2.9511 9.347092 3.941237 
1 1 1   18   44   10 o   24.614   1.3141  607.149   62.617  667.279   89.770  550.171   87.385   25.828   1.7905   23.399   1.9239 2.429295 2.628122 
1 1 1   18   44   11 o   21.347   1.4324  459.625   59.068  480.362   88.702  443.102   79.178   21.744   2.1015   20.950   1.9470 0.7938194 2.864818 
1 1 1   18   44   12 o   21.248   2.2923  538.931   76.941  403.220  144.374  592.765   90.930   18.321   4.1551   24.175   1.9377 -5.853786 4.584680 
1 1 1   18   45    0 f   15.784   2.2359  275.869   52.912  285.856   58.850  233.738  120.869   17.002   1.7832   14.566   4.1008 2.435524 4.471760 
1 1 1   18   45    1 o   11.005   2.4172   48.799   51.943   0.7597   57.156  276.706  124.492   6.1912   2.6554   15.819   4.0398 -9.628091 4.834369 
1 1 1   18   45    2 o   13.324   2.3750  190.135   52.536  194.462   58.155  170.934  122.502   13.956   2.1467   12.691   4.2372 1.264026 4.749975 
1 1 1   18   45    3 o   9.0989   2.5284   60.036   56.064   62.321   62.665   50.875  125.494   8.3562   3.0159   9.8417   4.0589 -1.485486 5.056737 
1 1 1   18   45    4 o   14.521   2.3617  232.467   58.219  242.540   66.457  199.226  120.726   15.567   2.1993   13.474   4.1801 2.092271 4.723364 
1 1 1   18   45    5 o   40.083   0.7987  1575.46   62.025  1617.31   85.845  1529.76   89.717   40.653   1.0878   39.512   1.1697 1.140881 1.597353 
1 1 1   18   45    6 o   18.446   1.5083  340.988   53.883  374.758   77.882  309.983   74.625   19.337   2.0748   17.555   2.1898 1.781921 3.016673 
1 1 1   18   45    7 o   27.501   1.1158  749.027   59.566  743.163   84.134  754.920   84.344   27.392   1.5823   27.610   1.5737 -0.2188358 2.231627 
1 1 1   18   45    8 o   27.468   1.0966  748.922   58.311  684.777   82.330  813.487   82.599   26.262   1.6150   28.674   1.4840 -2.411997 2.193213 
1 1 1   18   45    9 o   20.131   1.5406  410.106   59.970  461.266   86.846  363.476   82.912   21.362   2.0944   18.901   2.2598 2.460800 3.081102 
1 1 1   18   45   10 o   7.0067   2.1948 -12.7897   59.208   3.9453   86.377 -27.6210   81.316   7.4131   3.2221   6.6003   2.9811 0.8127861 4.389602 
1 1 1   18   45   11 o   7.3393   2.3946 -37.1569   71.617 -71.4377  139.772 -24.9530   83.396   7.9855   3.7159   6.6932   3.0214 1.292294 4.789228 
1 1 1   18   46    0 o   10.261   2.2596  120.301   49.804  145.673   54.742  -1.6057  119.993   11.827   2.4644   8.6945   3.7882 3.132517 4.519227 
1 1 1   18   46    1 o   21.281   1.6722  490.832   53.575  516.269   60.332  395.961  116.512   22.932   1.3553   19.631   3.0575 3.300705 3.344441 
1 1 1   18   46    2 o   8.0450   2.4097   11.989   54.560   0.4184   61.554   54.400  117.844   6.3962   2.7498   9.6938   3.9579 -3.297606 4.819410 
1 1 1   18   46    3 o   7.4078   2.2497   1.0141   59.787   48.151   67.736 -165.2055  127.198   8.0077   3.0851   6.8080   3.2750 1.199726 4.499303 
1 1 1   18   46    4 o   21.890   1.7135  518.252   61.446  554.842   71.764  417.745  118.940   23.701   1.5598   20.079   3.0515 3.621973 3.427081 
1 1 1   18   46    5 o   26.395   1.5857  727.267   69.274  753.233   80.387  652.344  136.548   27.617   1.4995   25.172   2.7945 2.445272 3.171353 
1 1 1   18   46    6 o   7.4906   2.2039   16.033   54.876 -24.7043   79.779   52.616   75.602   6.6511   2.9828   8.3301   3.2453 -1.678998 4.407840 
1 1 1   18   46    7 o   28.419   1.1174  801.280   61.617  798.631   88.324  803.792   86.002   28.364   1.6042   28.474   1.5559 -0.1102924 2.234801 
1 1 1   18   46    8 o   9.2073   2.4185   76.767   58.117   99.619   83.806   55.596   80.664   9.9051   3.4972   8.5094   3.3417 1.395711 4.837074 
1 1 1   18   46    9 o   12.999   2.3273  188.536   60.465  250.080   86.584  129.953   84.476   15.127   3.0539   10.871   3.5127 4.255681 4.654598 
1 1 1   18   46   10 o   19.048   1.6619  376.319   60.959  357.237   90.507  392.162   82.471   18.520   2.5176   19.576   2.1703 -1.056274 3.323893 
1 1 1   18   46   11 o   25.057   2.0239  686.887   95.239  549.877  142.147  798.491  128.292   22.380   3.2720   27.734   2.3830 -5.354267 4.047755 
1 1 1   18   47    0 o   23.429   1.5919  527.472   56.709  513.654   62.701  589.583  132.935   22.853   1.4134   24.005   2.8528 -1.151400 3.183764 
1 1 1   18   47    1 o   8.1361   2.4598   20.992   56.850   23.374   63.161   10.832  130.471   7.0807   2.8951   9.1915   3.9775 -2.110824 4.919509 
1 1 1   18   47    2 o   34.977   1.1163  1203.69   66.187  1198.30   76.753  1219.34  130.717   34.976   1.1305   34.979   1.9251 -0.2765656E-02 2.232526 
1 1 1   18   47    3 o   40.191   1.0849  1626.11   73.280  1658.36   85.147  1534.00  143.906   41.157   1.0657   39.224   1.8900 1.932991 2.169752 
1 1 1   18   47    4 o   29.136   1.4406  839.420   68.079  829.566   77.276  873.581  143.885   29.016   1.3719   29.255   2.5337 -0.2383480 2.881288 
1 1 1   18   47    5 o   14.033   2.5870  208.165   66.729  187.775   79.626  256.266  122.296   13.123   3.1629   14.944   4.0946 -1.820763 5.173969 
1 1 1   18   47    6 o   17.411   2.4042  422.073   72.101  530.331   84.972  143.698  136.258   23.004   1.9028   11.818   4.4158 11.18650 4.808302 
1 1 1   18   47    7 o   36.276   1.1893  1327.20   76.426  1351.29   91.652  1272.21  138.465   37.026   1.2752   35.527   2.0078 1.499500 2.378505 
1 1 1   18   47    8 o   8.6034   2.3616   59.972   56.958   41.160   81.439   77.985   79.690   8.1037   3.2974   9.1032   3.3818 -0.9994526 4.723267 
1 1 1   18   47    9 o   22.059   1.4211  494.804   60.561  553.910   86.344  437.571   84.965   23.409   1.9001   20.709   2.1136 2.700584 2.842120 
1 1 1   18   47   10 o   8.3455   2.6402 -37.5294   89.778   67.228  136.571 -117.2482  119.137   9.9054   4.1704   6.7857   3.2388 3.119705 5.280330 
1 1 1   18   48    0 o   11.430   2.5835  101.549   54.135   72.331   60.001  229.435  125.529   8.6236   2.9646   14.236   4.2319 -5.611977 5.166987 
1 1 1   18   48    1 o   19.086   2.0005  401.959   59.763  424.278   69.193  336.408  118.581   20.671   1.7244   17.501   3.6103 3.169380 4.000946 
1 1 1   18   48    2 o   16.974   2.3664  307.815   62.896  306.644   70.841  312.178  136.690   17.471   2.0889   16.477   4.2468 0.9937515 4.732762 
1 1 1   18   48    3 o   26.271   1.5880  732.975   66.054  762.935   75.407  634.172  136.939   27.810   1.3968   24.732   2.8524 3.078222 3.176007 
1 1 1   18   48    4 o   40.189   1.0984  1585.21   76.730  1565.89   90.105  1636.20  146.360   39.931   1.1625   40.447   1.8641 -0.5163460 2.196865 
1 1 1   18   48    5 o   30.228   1.5033  977.778   75.087  1038.37   87.783  812.567  144.950   32.420   1.3949   28.035   2.6635 4.384672 3.006611 
1 1 1   18   48    6 o   20.009   1.9112  420.875   67.920  429.127   81.876  402.664  121.627   20.611   2.0464   19.407   3.2285 1.203760 3.822471 
1 1 1   18   48    7 o   10.627   2.6580  123.311   67.567  145.700   77.586   53.033  137.460   11.434   3.3074   9.8197   4.1617 1.614529 5.315948 
1 1 1   18   48    8 o   27.237   1.4636  737.571   71.576  708.812   85.591  804.461  130.532   26.606   1.6572   27.869   2.4128 -1.263315 2.927155 
1 1 1   18   48    9 o   21.250   3.3889  499.864  139.795  499.864  139.795   0.0000   0.0000   21.250   3.3889  ?   ?       ?      ? 
1 1 1   18   49    0 o   27.187   1.5144  741.135   62.310  739.097   69.205  749.861  143.201   27.403   1.3010   26.970   2.7352 0.4329681 3.028876 
1 1 1   18   49    1 o   27.181   1.5128  694.482   64.213  661.838   71.304  834.536  147.693   25.892   1.4187   28.470   2.6724 -2.578087 3.025622 
1 1 1   18   49    2 o   9.6289   2.6847   61.758   61.768   47.004   69.160  119.926  137.320   7.9443   3.1015   11.314   4.3831 -3.369243 5.369461 
1 1 1   18   49    3 o   27.522   1.5100  750.706   68.221  737.695   77.762  794.185  142.148   27.303   1.4672   27.741   2.6397 -0.4376640 3.020012 
1 1 1   18   49    4 o   7.0694   2.3121 -42.1556   65.647 -31.2574   75.624 -75.4782  132.236   6.3077   2.8595   7.8312   3.6340 -1.523553 4.624197 
1 1 1   18   49    5 o   23.112   1.6935  531.962   66.491  514.775   76.843  583.172  132.639   22.686   1.7449   23.538   2.9029 -0.8521099 3.386948 
1 1 1   18   49    6 o   27.004   1.5701  729.037   72.711  710.713   84.593  780.866  142.271   26.680   1.6334   27.327   2.6820 -0.6470242 3.140210 
1 1 1   18   49    7 o   9.8756   2.8590   69.948   89.103   20.364  125.296  120.680  126.738   8.8638   3.8662   10.887   4.2129 -2.023734 5.718036 
1 1 1   18   49    8 o   21.126   3.2850  490.425  134.717  490.425  134.717   0.0000   0.0000   21.126   3.2850  ?   ?       ?      ? 
1 1 1   18   50    0 o   11.330   2.4409  151.382   57.932  175.528   65.230   61.216  126.050   12.822   2.7057   9.8372   4.0635 2.985140 4.881876 
1 1 1   18   50    1 o   28.613   1.4489  838.464   65.716  849.074   74.427  800.931  139.982   29.347   1.3065   27.879   2.5866 1.468191 2.897857 
1 1 1   18   50    2 o   15.067   2.4571  290.835   63.515  325.773   71.511  160.285  138.233   17.965   2.0506   12.169   4.4659 5.795946 4.914211 
1 1 1   18   50    3 o   8.1777   2.4216 -36.1074   60.856 -92.0145   70.267  131.678  121.729   5.0897   2.4448   11.266   4.1808 -6.176065 4.843105 
1 1 1   18   50    4 o   21.891   2.0401  538.511   67.375  564.553   76.978  453.231  139.301   23.775   1.6679   20.007   3.7238 3.767851 4.080237 
1 1 1   18   50    5 o   29.336   1.4348  875.238   70.541  877.236   81.612  869.336  140.272   29.734   1.4140   28.938   2.4971 0.7954483 2.869606 
1 1 1   18   50    6 o   7.7842   2.5322 -56.4596   89.540  -6.0846  121.771 -115.7601  132.119   8.3206   3.7116   7.2477   3.4457 1.072904 5.064427 
1 1 1   18   51    0 o   30.027   1.4400  914.962   67.804  918.303   76.319  902.447  147.713   30.511   1.2886   29.544   2.5757 0.9672661 2.880005 
1 1 1   18   51    1 o   11.452   2.7054  138.423   63.177  134.634   71.721  151.545  133.468   11.056   3.1748   11.849   4.3816 -0.7935162 5.410861 
1 1 1   18   51    2 o   13.923   2.5365  201.821   63.527  174.205   74.579  274.832  121.264   12.557   3.0824   15.290   4.0291 -2.732648 5.072984 
1 1 1   18   51    3 o   11.348   2.6186  150.968   64.571  170.799   72.868   78.452  139.339   12.420   3.0457   10.276   4.2607 2.144485 5.237294 
1 1 1   18   51    4 o   24.299   1.8827  621.935   88.381  637.352  120.451  603.953  130.083   24.730   2.5091   23.868   2.8077 0.8624001 3.765444 
1 1 1   18   51    5 o   15.301   4.2211  286.673  129.455  286.673  129.455   0.0000   0.0000   15.301   4.2211  ?   ?       ?      ? 
1 1 1   18   52    0 f   16.081   2.4613  304.613   72.323  337.664   88.853  239.727  124.496   18.026   2.5393   14.137   4.2172 3.888753 4.922660 
1 1 1   18   52    1 f   7.5702   2.3857 -41.4721   78.632   48.893   96.178 -223.6353  136.555   8.6704   3.5619   6.4701   3.1747 2.200286 4.771354 
1 1 1   18   52    2 o   16.565   3.1802  304.851   98.545  304.851   98.545   0.0000   0.0000   16.565   3.1802  ?   ?       ?      ? 
1 1 1   18   52    3 o   19.375   2.9972  404.090  112.724  404.090  112.724   0.0000   0.0000   19.375   2.9972  ?   ?       ?      ? 
1 1 1   18   53    0 o   11.376   3.7424  148.239   95.689  148.239   95.689   0.0000   0.0000   11.376   3.7424  ?   ?       ?      ? 
1 1 1   18   53    1 o   7.8154   3.3301   22.520   88.836   22.520   88.836   0.0000   0.0000   7.8154   3.3301  ?   ?       ?      ? 
1 1 1   19    0    0 o   53.545   0.8951  2790.55   92.863  2873.91  130.513  2705.07  132.158   54.360   1.2383   52.731   1.2929 -0.000000 0.000000 
1 1 1   19    0    1 o   17.144   1.9784  307.723   60.494  307.595   83.647  307.862   87.591   17.179   2.7100   17.110   2.8831 -0.000000 0.000000 
1 1 1   19    0    2 f   66.255   0.9821  4257.89  126.024  4540.52  183.555  4005.85  173.335   68.333   1.3851   64.178   1.3928 -0.000000 0.000000 
1 1 1   19    0    3 o   56.272   0.9294  3081.17  101.213  3096.19  139.244  3064.34  147.375   56.422   1.2728   56.122   1.3545 -0.000000 0.000000 
1 1 1   19    0    4 o  109.164   1.2555 11586.18  265.135 11557.95  361.433 11619.08  390.124  109.027   1.7087  109.300   1.8399 -0.000000 0.000000 
1 1 1   19    0    5 o   6.7493   2.6336   25.849   63.679  117.799   84.604 -94.3199   96.719   9.0784   4.2689   4.4202   3.0855 -0.000000 0.000000 
1 1 1   19    0    6 o   78.256   1.0798  5958.17  163.826  6110.92  231.020  5803.64  232.356   79.269   1.5026   77.243   1.5510 -0.000000 0.000000 
1 1 1   19    0    7 o   31.749   1.2297  1000.71   74.230  1096.88  100.636  885.940  109.933   33.491   1.5556   30.008   1.9048 -0.000000 0.000000 
1 1 1   19    0    8 o  146.716   1.8175 20970.80  517.193 20744.15  723.768 21207.30  739.322  145.908   2.5572  147.523   2.5835 -0.000000 0.000000 
1 1 1   19    0    9 o   27.166   1.4784  732.225   76.592  799.863  108.297  664.537  108.337   28.473   1.9814   25.858   2.1947 -0.000000 0.000000 
1 1 1   19    0   10 o   15.144   2.7902  302.084   70.827  382.949   89.966  170.271  114.863   19.361   2.5101   10.926   4.9841 -0.000000 0.000000 
1 1 1   19    0   11 o  124.755   1.5914 15165.40  385.003 15084.35  537.883 15250.55  551.317  124.417   2.2287  125.092   2.2721 -0.000000 0.000000 
1 1 1   19    0   12 o   79.105   1.1769  6077.12  179.365  5957.25  239.271  6230.90  271.004   78.229   1.5771   79.981   1.7474 -0.000000 0.000000 
1 1 1   19    0   13 f   77.268   1.1568  5814.31  172.459  5796.00  232.351  5836.76  257.349   77.147   1.5530   77.389   1.7150 -0.000000 0.000000 
1 1 1   19    0   14 o   7.2028   3.0939   48.579   74.277   45.764   88.006   55.551  138.489   6.5589   3.9140   7.8467   4.7927 -0.000000 0.000000 
1 1 1   19    0   15 o   6.7087   2.9320   34.184   75.342   63.155   89.434 -36.6418  139.836   7.0694   4.0679   6.3480   4.2235 -0.000000 0.000000 
1 1 1   19    0   16 o   19.926   2.6670  443.939   81.706  463.658   98.284  399.822  147.010   21.349   2.4559   18.502   4.7350 -0.000000 0.000000 
1 1 1   19    0   17 o   40.162   1.3175  1584.67   94.886  1581.78  114.675  1590.93  168.967   40.202   1.4739   40.121   2.1843 -0.000000 0.000000 
1 1 1   19    0   18 o   32.790   1.4895  1054.21   91.830  1004.33  116.983  1134.29  148.230   31.849   1.9079   33.730   2.2880 -0.000000 0.000000 
1 1 1   19    0   19 o   8.8547   3.4552  103.368   83.564   69.524  103.423  167.012  141.826   7.3600   4.3126   10.349   5.3995 -0.000000 0.000000 
1 1 1   19    0   20 o   42.188   1.2523  1753.67   97.017  1747.82  119.804  1764.81  165.357   42.194   1.4667   42.181   2.0302 -0.000000 0.000000 
1 1 1   19    0   21 o   54.559   1.1871  2942.50  123.911  2996.82  163.911  2870.05  189.291   55.219   1.5318   53.900   1.8138 -0.000000 0.000000 
1 1 1   19    0   22 f   6.3250   2.7998   7.7633   81.893   86.611   98.103 -173.4628  148.731   7.6175   4.3105   5.0324   3.5742 -0.000000 0.000000 
1 1 1   19    1    0 o   63.748   0.6592  3943.30   81.518  3747.48  113.672  4150.63  116.966   62.120   0.9427   65.377   0.9217 -3.256882 1.318366 
1 1 1   19    1    1 o   39.738   0.6548  1532.63   50.462  1553.64   73.185  1513.58   69.673   39.998   0.9426   39.479   0.9091 0.5181465 1.309586 
1 1 1   19    1    2 o   30.290   0.7925  886.381   46.460  827.214   62.860  957.610   68.971   29.182   1.1097   31.397   1.1316 -2.215387 1.584935 
1 1 1   19    1    3 o   62.912   0.6668  3843.86   81.432  3836.56  115.548  3851.07  114.781   62.852   0.9471   62.971   0.9390 -0.1190224 1.333652 
1 1 1   19    1    4 o  107.786   0.9097 11290.88  190.082 11263.30  275.894 11315.80  262.256  107.657   1.3202  107.915   1.2519 -0.2574387 1.819397 
1 1 1   19    1    5 o   62.539   0.6804  3799.90   82.569  3851.96  115.725  3745.92  117.844   62.976   0.9466   62.102   0.9776 0.8742905 1.360786 
1 1 1   19    1    6 o   87.529   0.8124  7439.08  137.816  7361.30  189.131  7527.13  201.233   87.044   1.1193   88.014   1.1778 -0.9701843 1.624866 
1 1 1   19    1    7 o   19.841   1.6478  409.394   57.171  452.062   69.654  321.305  100.082   21.554   1.6648   18.127   2.8442 3.426859 3.295612 
1 1 1   19    1    8 o   81.297   0.8011  6422.19  126.424  6456.00  179.374  6388.82  178.213   81.509   1.1337   81.084   1.1322 0.4250565 1.602242 
1 1 1   19    1    9 o   47.924   0.9381  2229.75   79.577  2224.59   94.714  2242.13  146.737   47.848   1.0197   47.999   1.5749 -0.1510849 1.876173 
1 1 1   19    1   10 o   48.971   0.7466  2330.54   70.967  2332.67   99.580  2328.34  101.164   48.994   1.0470   48.948   1.0647 0.4647446E-01 1.493284 
1 1 1   19    1   11 o   90.829   0.8832  8022.12  155.714  7980.13  218.922  8065.11  221.528   90.589   1.2449   91.069   1.2531 -0.4799347 1.766402 
1 1 1   19    1   12 o   78.351   0.8223  5969.25  125.056  5989.13  178.078  5949.91  175.658   78.478   1.1689   78.223   1.1568 0.2558136 1.644596 
1 1 1   19    1   13 o   40.656   0.8540  1608.28   67.393  1631.36   95.865  1585.72   94.759   40.944   1.2062   40.367   1.2093 0.5770988 1.707979 
1 1 1   19    1   14 o   46.862   0.8092  2137.22   73.588  2124.33  102.631  2150.85  105.568   46.719   1.1317   47.006   1.1569 -0.2877502 1.618399 
1 1 1   19    1   15 o   36.846   0.9143  1324.27   65.311  1405.29   92.631  1244.19   92.099   37.971   1.2567   35.720   1.3283 2.251492 1.828549 
1 1 1   19    1   16 o   71.673   0.8097  5003.39  112.620  5173.11  161.669  4843.38  156.974   72.854   1.1432   70.493   1.1471 2.361069 1.619498 
1 1 1   19    1   17 o   28.046   1.1189  769.984   60.855  794.518   88.520  747.997   83.798   28.465   1.6020   27.626   1.5626 0.8391075 2.237879 
1 1 1   19    1   18 o   30.556   1.0079  919.596   58.913  893.081   90.688  938.955   77.490   30.144   1.5498   30.968   1.2890 -0.8240242 2.015821 
1 1 1   19    1   19 o   19.439   1.5600  378.635   58.642  387.894   80.172  367.982   85.998   19.724   2.0940   19.155   2.3129 0.5688782 3.119944 
1 1 1   19    1   20 o   10.921   2.3576  116.402   60.578   35.964   84.287  202.350   87.125   8.1989   3.3474   13.644   3.3209 -5.445232 4.715219 
1 1 1   19    1   21 o   21.939   1.4172  497.184   58.463  406.376   88.740  566.826   77.713   20.006   2.2851   23.871   1.6771 -3.865646 2.834438 
1 1 1   19    1   22 o   10.090   2.4482   89.187   69.407 -39.1939  105.474  187.240   92.177   7.3541   3.3505   12.827   3.5707 -5.472610 4.896490 
1 1 1   19    2    0 o   64.647   0.6664  4056.90   83.614  3953.95  116.911  4164.71  119.631   63.808   0.9439   65.487   0.9411 -1.678623 1.332864 
1 1 1   19    2    1 o   38.114   0.6845  1411.02   50.631  1379.24   71.685  1442.65   71.521   37.685   0.9799   38.542   0.9560 -0.8571281 1.368974 
1 1 1   19    2    2 o   72.795   0.7035  5146.74   99.409  5165.05  140.155  5128.21  141.020   72.925   0.9901   72.664   0.9998 0.2610092 1.407039 
1 1 1   19    2    3 o   88.312   0.7883  7575.87  135.133  7666.27  191.555  7486.31  190.662   88.836   1.1108   87.787   1.1188 1.049362 1.576612 
1 1 1   19    2    4 o   64.267   0.6774  4011.43   84.502  4021.92  119.179  4000.82  119.831   64.351   0.9541   64.182   0.9618 0.1693344 1.354743 
1 1 1   19    2    5 o   78.424   0.7506  5974.17  114.268  6059.72  162.188  5889.86  161.016   78.981   1.0579   77.866   1.0653 1.115311 1.501284 
1 1 1   19    2    6 o   54.786   0.6779  2914.77   71.971  2904.06   98.793  2926.90  105.060   54.680   0.9307   54.893   0.9860 -0.2122040 1.355871 
1 1 1   19    2    7 o   52.489   0.7004  2674.73   71.323  2629.76   98.841  2723.58  103.021   52.029   0.9786   52.948   1.0023 -0.9188461 1.400851 
1 1 1   19    2    8 o  138.457   1.2190 18657.42  327.637 18666.25  463.544 18648.61  463.152  138.489   1.7243  138.424   1.7236 0.6532288E-01 2.438053 
1 1 1   19    2    9 o   43.675   0.7195  1853.33   60.991  1804.65   85.802  1903.05   86.714   43.095   1.0257   44.256   1.0094 -1.160057 1.439036 
1 1 1   19    2   10 o  111.237   1.0145 12037.35  219.064 12080.64  309.537 11993.91  310.070  111.438   1.4309  111.036   1.4386 0.4021301 2.029043 
1 1 1   19    2   11 o   48.224   0.7508  2258.09   70.191  2099.06   97.734  2427.50  100.871   46.471   1.0834   49.977   1.0397 -3.506405 1.501628 
1 1 1   19    2   12 o   28.041   1.1034  765.574   60.052  751.441   84.148  780.243   85.726   27.777   1.5606   28.305   1.5602 -0.5273533 2.206762 
1 1 1   19    2   13 o   51.982   0.7853  2628.04   79.224  2701.83  112.744  2556.06  111.347   52.703   1.1020   51.260   1.1190 1.443127 1.570557 
1 1 1   19    2   14 o   33.642   1.0011  1103.00   65.355  1092.26   91.015  1114.43   93.904   33.475   1.4007   33.810   1.4308 -0.3347969 2.002254 
1 1 1   19    2   15 o   41.456   0.8811  1674.18   70.887  1621.79   99.100  1729.07  101.441   40.792   1.2515   42.121   1.2407 -1.329044 1.762242 
1 1 1   19    2   16 o   41.474   0.8798  1677.87   70.820  1714.87  100.349  1641.15   99.962   41.931   1.2328   41.017   1.2555 0.9148788 1.759583 
1 1 1   19    2   17 o   72.245   0.8146  5092.66  114.235  5030.59  161.009  5155.57  162.102   71.801   1.1552   72.689   1.1488 -0.8885803 1.629197 
1 1 1   19    2   18 o   23.640   1.3111  556.380   59.695  609.917   82.424  497.321   86.570   24.877   1.7068   22.403   1.9907 2.474346 2.622195 
1 1 1   19    2   19 o   16.159   1.8139  263.733   56.874  274.659   81.193  253.206   79.693   16.495   2.5357   15.823   2.5945 0.6715746 3.627888 
1 1 1   19    2   20 o   11.210   2.3910  129.559   60.463   62.785   85.131  197.527   85.889   8.9374   3.4543   13.482   3.3069 -4.544562 4.782064 
1 1 1   19    2   21 o   35.264   0.9642  1230.95   65.635  1273.22   89.247  1181.16   96.863   35.960   1.2785   34.568   1.4435 1.391983 1.928331 
1 1 1   19    2   22 o   7.7870   2.4080   4.9211   67.527 -10.7823  111.423   14.037   84.894   8.0065   3.5624   7.5675   3.2407 0.4390154 4.815906 
1 1 1   19    3    0 o   76.705   0.7209  5713.85  107.328  5750.69  153.124  5678.27  150.479   76.948   1.0251   76.463   1.0138 0.4855270 1.441784 
1 1 1   19    3    1 o  109.681   0.8980 11686.71  191.011 11650.78  264.316 11725.98  276.346  109.507   1.2434  109.855   1.2959 -0.3481216 1.795937 
1 1 1   19    3    2 o   60.021   0.6547  3498.61   76.284  3510.82  107.808  3486.36  107.957   60.126   0.9237   59.916   0.9282 0.2099953 1.309480 
1 1 1   19    3    3 o  109.748   0.9516 11708.00  202.292 11751.68  277.349 11658.36  295.701  109.971   1.2992  109.524   1.3908 0.4468307 1.903261 
1 1 1   19    3    4 o   9.8796   2.1403   94.827   45.176   80.188   63.229  110.092   64.569   9.2620   3.0419   10.497   3.0117 -1.235132 4.280625 
1 1 1   19    3    5 o  136.995   1.0717 18248.50  284.953 18302.48  400.007 18192.89  406.029  137.203   1.5019  136.788   1.5291 0.4156799 2.143343 
1 1 1   19    3    6 o  118.248   1.0089 13594.37  231.571 13651.14  326.987 13537.25  327.997  118.497   1.4215  118.000   1.4319 0.4967422 2.017727 
1 1 1   19    3    7 o   60.740   0.7088  3582.71   83.553  3511.81  116.700  3657.29  119.680   60.124   0.9999   61.356   1.0048 -1.232449 1.417571 
1 1 1   19    3    8 o  112.387   1.0164 12280.16  221.711 12142.19  310.350 12423.97  316.844  111.743   1.4308  113.030   1.4441 -1.287163 2.032825 
1 1 1   19    3    9 o   28.587   0.9469  794.739   52.535  794.861   73.604  794.612   75.007   28.590   1.3263   28.584   1.3518 0.5544662E-02 1.893749 
1 1 1   19    3   10 o   19.225   1.5062  368.399   54.917  413.162   73.389  311.440   82.785   20.593   1.8358   17.856   2.3883 2.737043 3.012382 
1 1 1   19    3   11 o   65.657   0.7478  4190.07   95.294  4280.24  134.959  4100.42  134.574   66.363   1.0476   64.952   1.0673 1.410683 1.495583 
1 1 1   19    3   12 o   22.769   1.2914  503.716   56.752  489.425   75.835  521.908   85.562   22.408   1.7435   23.130   1.9057 -0.7220020 2.582871 
1 1 1   19    3   13 o   32.895   0.9768  1055.35   62.285  1104.78   87.332  1004.17   88.855   33.683   1.3356   32.106   1.4257 1.577522 1.953620 
1 1 1   19    3   14 o   51.248   0.7813  2555.87   77.702  2558.30  111.104  2553.54  108.710   51.270   1.1164   51.225   1.0932 0.4476929E-01 1.562508 
1 1 1   19    3   15 o   58.453   0.7755  3318.72   87.837  3458.42  129.058  3198.16  119.888   59.593   1.1156   57.313   1.0776 2.279766 1.551087 
1 1 1   19    3   16 f   31.175   1.0288  948.629   62.222  917.396   86.127  982.727   89.990   30.640   1.4480   31.711   1.4619 -1.070198 2.057688 
1 1 1   19    3   17 o   27.834   1.1054  762.677   59.458  811.229   82.168  709.312   86.144   28.784   1.4706   26.885   1.6506 1.899233 2.210706 
1 1 1   19    3   18 o   16.248   1.9605  269.793   60.455  249.168   83.833  292.138   87.262   15.458   2.9003   17.037   2.6386 -1.578381 3.920947 
1 1 1   19    3   19 o   7.4614   2.2609   4.8786   58.527   12.004   83.635  -1.9596   81.931   7.6500   3.2445   7.2728   3.1495 0.3772087 4.521733 
1 1 1   19    3   20 o   11.405   2.3134  140.342   53.878  135.007   78.969  144.988   73.693   11.213   3.3618   11.596   3.1790 -0.3827753 4.626825 
1 1 1   19    3   21 o   14.158   2.3273  222.715   63.254  264.259   87.917  178.132   91.076   15.677   2.9983   12.640   3.5601 3.036577 4.654516 
1 1 1   19    3   22 o   23.471   1.4512  552.776   65.633  655.196   97.960  469.350   88.411   25.457   1.9823   21.485   2.1199 3.972414 2.902351 
1 1 1   19    4    0 o   91.679   0.8072  8165.16  143.636  8255.70  202.860  8074.14  203.406   92.190   1.1336   91.169   1.1493 1.020409 1.614305 
1 1 1   19    4    1 o  128.212   1.0080 15988.54  249.840 16119.28  339.022 15833.13  369.610  128.794   1.3560  127.630   1.4919 1.164314 2.016043 
1 1 1   19    4    2 o   80.059   0.7425  6225.03  115.362  6204.90  161.450  6246.03  164.897   79.927   1.0406   80.190   1.0593 -0.2633896 1.484919 
1 1 1   19    4    3 o   83.234   0.7650  6729.79  123.591  6796.11  174.670  6663.30  174.899   83.645   1.0758   82.822   1.0879 0.8220978 1.529936 
1 1 1   19    4    4 o   82.554   0.7649  6617.06  122.541  6738.39  176.172  6503.35  170.561   83.286   1.0897   81.822   1.0739 1.464424 1.529892 
1 1 1   19    4    5 o   70.789   0.7216  4867.40   99.134  4860.65  138.810  4874.42  141.627   70.739   1.0109   70.838   1.0299 -0.9911346E-01 1.443137 
1 1 1   19    4    6 o   84.332   0.7930  6910.09  129.813  6931.26  182.844  6888.57  184.331   84.462   1.1152   84.201   1.1278 0.2614822 1.586036 
1 1 1   19    4    7 o  107.164   0.9704 11165.95  201.866 11137.68  285.126 11194.37  285.837  107.028   1.3724  107.300   1.3723 -0.2720337 1.940785 
1 1 1   19    4    8 o   78.975   0.7869  6057.86  120.585  5965.33  167.801  6156.68  173.404   78.353   1.1033   79.598   1.1223 -1.245186 1.573725 
1 1 1   19    4    9 o   35.863   0.8455  1245.26   58.511  1206.64   78.076  1294.73   88.372   35.234   1.1415   36.492   1.2475 -1.258312 1.690986 
1 1 1   19    4   10 o   37.855   0.7996  1392.85   58.682  1485.75   83.671  1302.91   82.324   39.099   1.1024   36.611   1.1584 2.487350 1.599114 
1 1 1   19    4   11 o   82.690   0.8351  6647.73  134.043  6760.92  190.294  6536.25  188.846   83.390   1.1756   81.991   1.1865 1.398582 1.670263 
1 1 1   19    4   12 o   84.333   0.8409  6917.04  137.650  6931.69  193.272  6901.95  196.093   84.425   1.1793   84.241   1.1992 0.1841507 1.681898 
1 1 1   19    4   13 f   40.729   0.7980  1607.07   62.962  1740.84   92.522  1491.69   85.927   42.301   1.1267   39.157   1.1305 3.144341 1.596086 
1 1 1   19    4   14 o   25.876   1.0985  653.260   55.157  656.550   79.113  650.147   76.940   25.938   1.5713   25.814   1.5354 0.1236134 2.196920 
1 1 1   19    4   15 o   54.433   0.7694  2885.58   81.288  2831.39  115.222  2939.28  114.696   53.922   1.1008   54.944   1.0754 -1.021931 1.538894 
1 1 1   19    4   16 o   29.914   0.9945  874.344   57.702  879.635   80.111  868.639   83.182   30.012   1.3751   29.816   1.4372 0.1965981 1.989069 
1 1 1   19    4   17 o   34.367   0.9598  1155.78   63.980  1106.40   90.677  1204.73   90.288   33.629   1.3890   35.104   1.3250 -1.475014 1.919639 
1 1 1   19    4   18 o   55.547   0.7904  3015.28   85.204  2951.15  120.617  3079.17  120.378   54.953   1.1307   56.141   1.1046 -1.188007 1.580704 
1 1 1   19    4   19 o   20.756   1.4263  431.909   56.643  450.422   75.100  407.481   86.266   21.325   1.8142   20.187   2.2014 1.137627 2.852682 
1 1 1   19    4   20 o   19.880   1.5549  399.536   59.151  481.664   84.588  320.944   82.747   21.955   1.9848   17.805   2.3941 4.149290 3.109810 
1 1 1   19    4   21 o   41.383   0.8754  1688.11   70.080  1642.26  102.655  1728.13   95.906   40.830   1.2952   41.937   1.1781 -1.107342 1.750858 
1 1 1   19    4   22 o   11.179   2.9554  131.608   87.649  161.869  109.767   78.367  145.598   11.931   4.0108   10.426   4.3418 1.505296 5.910805 
1 1 1   19    5    0 o   27.327   0.8554  725.696   45.345  760.775   64.317  691.030   63.938   27.984   1.1840   26.670   1.2350 1.314634 1.710881 
1 1 1   19    5    1 o   24.451   0.8830  579.510   41.708  594.281   62.479  567.637   56.018   24.731   1.3015   24.172   1.1938 0.5586414 1.766080 
1 1 1   19    5    2 o   17.374   1.3474  299.455   44.100  382.370   62.392  216.675   62.341   19.831   1.6208   14.918   2.1528 4.912835 2.694707 
1 1 1   19    5    3 o   46.766   0.6582  2123.59   59.714  2233.51   85.165  2017.29   83.748   47.957   0.9148   45.575   0.9466 2.381260 1.316453 
1 1 1   19    5    4 o   18.780   1.1932  342.954   43.306  301.113   60.258  387.651   62.280   17.593   1.7644   19.966   1.6069 -2.372559 2.386474 
1 1 1   19    5    5 o   74.450   0.7414  5384.33  107.141  5372.18  151.468  5396.51  151.572   74.366   1.0493   74.534   1.0476 -0.1683197 1.482706 
1 1 1   19    5    6 o  138.836   1.1797 18753.20  317.355 18764.81  435.836 18740.09  463.012  138.891   1.6165  138.780   1.7187 0.1114349 2.359468 
1 1 1   19    5    7 o   56.827   0.6905  3137.08   76.167  3134.31  107.484  3139.89  107.951   56.802   0.9748   56.852   0.9782 -0.5035400E-01 1.380964 
1 1 1   19    5    8 o   32.503   0.8310  1026.61   52.416  1057.79   74.482  996.018   73.778   32.992   1.1630   32.013   1.1872 0.9787064 1.661942 
1 1 1   19    5    9 o   14.459   1.9577  211.538   53.216  233.910   71.797  184.262   79.276   15.475   2.3901   13.442   3.1013 2.032526 3.915410 
1 1 1   19    5   10 o   62.049   0.7254  3742.64   87.308  3780.87  121.561  3701.91  125.477   62.378   1.0039   61.720   1.0473 0.6578484 1.450750 
1 1 1   19    5   11 o   44.037   0.8207  1887.93   69.889  1916.46   95.201  1854.58  102.927   44.402   1.1045   43.672   1.2141 0.7297020 1.641363 
1 1 1   19    5   12 o   38.986   0.8356  1482.02   63.062  1409.01   91.154  1549.05   87.334   38.059   1.2338   39.913   1.1272 -1.853825 1.671200 
1 1 1   19    5   13 o   36.210   0.8844  1275.70   62.141  1297.95   89.428  1254.92   86.412   36.514   1.2617   35.906   1.2398 0.6085014 1.768862 
1 1 1   19    5   14 o   61.081   0.7746  3629.92   91.823  3580.71  128.359  3681.50  131.411   60.658   1.0901   61.504   1.1007 -0.8461609 1.549141 
1 1 1   19    5   15 o   15.406   2.0476  246.517   58.814  346.829   83.860  149.418   82.506   18.767   2.3020   12.045   3.3870 6.721104 4.095270 
1 1 1   19    5   16 o   9.8083   2.1403   55.899   58.624  191.895   83.383 -77.0308   82.438   13.572   3.2146   6.0452   2.8265 7.526383 4.280514 
1 1 1   19    5   17 o   49.806   0.8027  2421.92   77.552  2319.79  109.705  2523.94  109.645   48.751   1.1593   50.862   1.1105 -2.111671 1.605350 
1 1 1   19    5   18 o   29.710   1.0215  865.899   58.877  851.419   81.592  881.631   85.046   29.455   1.4270   29.965   1.4621 -0.5098782 2.043041 
1 1 1   19    5   19 o   32.541   0.9950  1039.57   62.823  1073.36   90.466  1008.09   87.310   33.050   1.4101   32.031   1.4042 1.018993 1.989995 
1 1 1   19    5   20 o   24.914   1.3002  617.898   62.847  643.677   89.294  592.593   88.470   25.439   1.8083   24.388   1.8687 1.050373 2.600376 
1 1 1   19    5   21 o   14.354   2.1978  223.326   59.445  203.001   81.743  246.138   86.602   13.628   3.1527   15.080   3.0630 -1.452001 4.395635 
1 1 1   19    5   22 o   13.289   2.6938  213.653   88.076  331.346  111.959   22.550  142.665   17.169   3.4784   9.4088   4.1141 7.760599 5.387525 
1 1 1   19    6    0 o  121.520   0.9650 14346.08  227.398 14266.35  314.159 14433.83  329.572  121.168   1.3357  121.871   1.3931 -0.7030029 1.929954 
1 1 1   19    6    1 o   35.717   0.6990  1239.07   48.460  1249.54   68.329  1228.47   68.739   35.869   0.9813   35.565   0.9957 0.3039703 1.398000 
1 1 1   19    6    2 o   12.581   1.7579  160.008   41.845  108.975   58.884  212.075   59.477   10.402   2.8375   14.760   2.0758 -4.358214 3.515785 
1 1 1   19    6    3 o   60.463   0.8073  3573.99   89.492  3621.19  110.177  3482.48  153.424   61.063   0.9295   59.863   1.3203 1.199535 1.614663 
1 1 1   19    6    4 o   98.462   0.8833  9421.91  168.692  9453.68  234.030  9387.55  243.377   98.638   1.2223   98.287   1.2756 0.3504333 1.766664 
1 1 1   19    6    5 o   46.106   0.6949  2066.32   62.048  2088.03   85.145  2041.75   90.607   46.366   0.9460   45.847   1.0181 0.5193138 1.389774 
1 1 1   19    6    6 o  103.110   0.9203 10334.55  184.194 10421.74  260.079 10246.79  260.902  103.547   1.2939  102.673   1.3091 0.8745499 1.840598 
1 1 1   19    6    7 o   20.629   1.2685  413.249   50.491  405.178   67.498  423.503   76.082   20.404   1.7042   20.854   1.8794 -0.4501896 2.536995 
1 1 1   19    6    8 o   24.001   1.0811  561.559   50.147  498.400   70.601  625.871   71.242   22.633   1.6070   25.368   1.4467 -2.735565 2.162230 
1 1 1   19    6    9 o   29.757   0.9763  860.069   56.326  838.124   77.429  884.736   82.089   29.355   1.3588   30.158   1.4022 -0.8032169 1.952566 
1 1 1   19    6   10 o   42.416   0.7947  1750.01   65.117  1762.43   88.051  1735.01   96.741   42.585   1.0651   42.247   1.1796 0.3387413 1.589371 
1 1 1   19    6   11 o  115.640   1.0479 12999.53  235.060 12620.96  324.784 13415.95  340.631  113.877   1.4692  117.403   1.4947 -3.526176 2.095872 
1 1 1   19    6   12 o   79.944   0.8152  6214.25  126.488  6156.63  176.974  6274.43  180.851   79.566   1.1458   80.322   1.1599 -0.7556992 1.630418 
1 1 1   19    6   13 o   95.686   0.9172  8914.27  170.358  8838.78  239.092  8992.12  242.796   95.276   1.2928   96.096   1.3016 -0.8207703 1.834488 
1 1 1   19    6   14 o   25.688   1.2341  644.332   61.481  606.620   85.676  684.369   88.276   24.911   1.7717   26.465   1.7183 -1.553869 2.468149 
1 1 1   19    6   15 o   59.169   0.7767  3409.48   89.212  3405.30  125.740  3413.71  126.593   59.133   1.0954   59.205   1.1015 -0.7191086E-01 1.553467 
1 1 1   19    6   16 f   15.736   1.9855  254.415   58.207  322.940   82.667  187.036   81.972   18.075   2.3561   13.398   3.1964 4.676419 3.970962 
1 1 1   19    6   17 o   45.228   0.8238  1995.98   71.950  1986.76   96.841  2007.34  107.499   45.125   1.1056   45.332   1.2216 -0.2068863 1.647605 
1 1 1   19    6   18 o   19.304   1.5500  369.202   57.915  342.086   78.427  401.724   85.889   18.532   2.1802   20.076   2.2039 -1.544884 3.100034 
1 1 1   19    6   19 o   48.195   0.8137  2272.93   76.100  2281.78  109.126  2264.54  106.179   48.281   1.1643   48.108   1.1370 0.1733780 1.627399 
1 1 1   19    6   20 o   32.264   0.9913  1026.47   62.007  968.886   87.741  1083.92   87.640   31.346   1.4420   33.183   1.3606 -1.837254 1.982546 
1 1 1   19    6   21 o   25.602   1.3325  656.872   66.185  682.962   93.713  630.908   93.486   26.125   1.8479   25.080   1.9203 1.045387 2.664996 
1 1 1   19    6   22 o   9.0544   2.6976   40.863   82.581   84.653   99.748 -54.5459  147.234   9.6554   3.7371   8.4535   3.8913 1.201873 5.395202 
1 1 1   19    7    0 o   24.560   0.9244  586.149   44.066  582.385   62.650  589.836   61.993   24.482   1.3183   24.638   1.2962 -0.1565895 1.848791 
1 1 1   19    7    1 o   53.373   0.6389  2766.30   66.150  2762.62   91.870  2770.26   95.325   53.337   0.8873   53.410   0.9194 -0.7266998E-01 1.277775 
1 1 1   19    7    2 o   50.196   0.6478  2448.79   63.069  2348.46   89.578  2547.42   88.813   49.175   0.9384   51.217   0.8933 -2.042152 1.295613 
1 1 1   19    7    3 o  108.770   0.9211 11496.95  194.344 11496.67  269.893 11497.25  280.079  108.771   1.2782  108.769   1.3265 0.2128601E-02 1.842147 
1 1 1   19    7    4 o  114.361   0.9602 12715.86  212.945 12819.69  295.307 12603.38  307.353  114.851   1.3246  113.871   1.3905 0.9807129 1.920380 
1 1 1   19    7    5 o  118.780   0.9911 13716.19  228.252 13740.16  315.466 13689.86  330.665  118.893   1.3669  118.666   1.4355 0.2268600 1.982159 
1 1 1   19    7    6 f   99.253   0.8975  9574.77  172.814  9567.78  240.046  9582.28  248.992   99.218   1.2463   99.288   1.2919 -0.7012177E-01 1.795091 
1 1 1   19    7    7 o   10.975   2.1742  123.031   49.203  150.734   65.480   87.100   74.570   12.176   2.8250   9.7737   3.3057 2.402073 4.348380 
1 1 1   19    7    8 o   31.652   0.9368  973.186   57.369  964.117   77.848  983.964   84.871   31.492   1.2734   31.811   1.3744 -0.3183727 1.873684 
1 1 1   19    7    9 o   37.377   0.7918  1357.99   57.444  1340.61   81.385  1375.24   81.091   37.138   1.1289   37.616   1.1105 -0.4774017 1.583588 
1 1 1   19    7   10 o   30.024   0.9995  874.461   58.098  845.079   78.844  909.369   85.940   29.476   1.3780   30.573   1.4481 -1.097191 1.998949 
1 1 1   19    7   11 o   25.253   1.1041  621.564   53.987  677.304   76.744  566.955   75.960   26.378   1.4987   24.128   1.6218 2.250246 2.208272 
1 1 1   19    7   12 o   36.562   0.8943  1300.74   63.319  1302.60   86.662  1298.62   92.738   36.593   1.2200   36.531   1.3078 0.6201172E-01 1.788508 
1 1 1   19    7   13 o   23.468   1.3307  540.758   60.331  584.857   83.914  493.574   86.799   24.472   1.7664   22.463   1.9906 2.009304 2.661338 
1 1 1   19    7   14 o   40.631   0.8619  1608.38   67.949  1660.18   95.976  1556.33   96.213   41.289   1.1975   39.972   1.2400 1.317089 1.723779 
1 1 1   19    7   15 o   42.575   0.8251  1766.76   68.168  1734.75   97.119  1797.84   95.705   42.192   1.1858   42.958   1.1477 -0.7658424 1.650252 
1 1 1   19    7   16 o   52.578   0.7751  2694.05   79.101  2694.63  112.482  2693.50  111.260   52.583   1.1020   52.574   1.0902 0.8750916E-02 1.550132 
1 1 1   19    7   17 o   32.199   0.9919  1014.03   61.893  934.403   86.137  1099.01   88.993   30.887   1.4366   33.511   1.3680 -2.624447 1.983797 
1 1 1   19    7   18 o   15.228   2.0767  252.645   59.095  353.748   81.898  142.826   85.355   18.826   2.2410   11.631   3.4970 7.195611 4.153431 
1 1 1   19    7   19 o   33.028   0.9927  1078.04   63.001  1120.93   84.377  1024.01   94.709   33.808   1.2857   32.249   1.5129 1.558693 1.985427 
1 1 1   19    7   20 o   29.307   1.1407  854.542   64.550  770.349   92.510  934.428   90.113   27.857   1.7108   30.757   1.5093 -2.899591 2.281402 
1 1 1   19    7   21 o   6.5758   2.1056 -42.1027   59.507   2.2950   82.279 -90.7937   86.166   7.2689   3.1520   5.8827   2.7926 1.386140 4.211177 
1 1 1   19    7   22 o   20.388   2.4797  484.535   90.140  558.314  116.075  372.446  143.071   23.143   2.5838   17.634   4.2333 5.509102 4.959498 
1 1 1   19    8    0 o  107.492   0.8933 11225.25  185.942 11207.76  254.164 11245.38  272.742  107.406   1.2190  107.578   1.3061 -0.1723175 1.786574 
1 1 1   19    8    1 o   14.403   1.5645  209.298   41.722  243.835   57.084  169.687   61.133   15.832   1.8575   12.975   2.5179 2.856219 3.128933 
1 1 1   19    8    2 f   70.696   0.7018  4853.75   96.306  4894.14  137.253  4814.57  135.165   70.986   0.9961   70.407   0.9890 0.5790558 1.403642 
1 1 1   19    8    3 o   99.976   0.8621  9712.06  167.297  9733.98  235.132  9689.58  238.082  100.091   1.2102   99.861   1.2282 0.2301025 1.724230 
1 1 1   19    8    4 o   69.724   0.7194  4722.78   97.349  4777.83  137.074  4666.76  138.279   70.134   1.0068   69.313   1.0277 0.8211594 1.438725 
1 1 1   19    8    5 o   31.088   0.8143  939.674   48.921  1059.23   70.089  826.088   68.315   33.019   1.0935   29.157   1.2070 3.862577 1.628689 
1 1 1   19    8    6 o  106.552   0.9210 11036.94  190.313 11050.94  263.577 11021.70  275.077  106.626   1.2734  106.478   1.3309 0.1483307 1.841960 
1 1 1   19    8    7 o   68.302   0.7359  4533.63   97.508  4564.92  135.720  4500.24  140.182   68.547   1.0200   68.057   1.0611 0.4900131 1.471821 
1 1 1   19    8    8 o   93.383   0.8845  8478.19  160.318  8580.53  225.993  8374.52  227.462   93.952   1.2392   92.814   1.2625 1.137413 1.769005 
1 1 1   19    8    9 o   68.769   0.7473  4594.44   99.655  4566.81  137.593  4624.93  144.531   68.553   1.0340   68.984   1.0793 -0.4311295 1.494654 
1 1 1   19    8   10 o   32.324   0.9263  1011.68   57.946  908.329   79.320  1129.96   84.857   30.560   1.3371   34.088   1.2824 -3.527784 1.852671 
1 1 1   19    8   11 o   51.975   0.7503  2623.30   75.650  2557.31  104.763  2695.20  109.355   51.293   1.0522   52.657   1.0698 -1.363499 1.500534 
1 1 1   19    8   12 o   73.431   0.7939  5245.21  113.120  5297.63  158.251  5190.43  161.758   73.809   1.1045   73.053   1.1407 0.7552719 1.587792 
1 1 1   19    8   13 f   37.396   1.1928  1434.22   76.603  1212.56  141.436  1526.23   91.125   35.194   2.0703   39.598   1.1855 -4.404648 2.385675 
1 1 1   19    8   14 o   44.766   0.7859  1949.99   68.282  1985.10   97.821  1916.63   95.356   45.158   1.1159   44.373   1.1070 0.7845383 1.571875 
1 1 1   19    8   15 o   65.656   0.7710  4198.38   98.262  4230.52  139.307  4166.56  138.622   65.906   1.0889   65.406   1.0918 0.5007172 1.541987 
1 1 1   19    8   16 o   39.681   0.8486  1529.66   65.178  1615.05   96.710  1458.61   88.223   40.687   1.2245   38.674   1.1752 2.012936 1.697159 
1 1 1   19    8   17 o   32.002   0.9951  1001.39   61.759  1038.45   89.781  968.111   85.088   32.560   1.4205   31.444   1.3940 1.116764 1.990232 
1 1 1   19    8   18 o   19.544   1.4422  379.200   54.020  463.537   78.644  303.862   74.330   21.636   1.8725   17.453   2.1940 4.182877 2.884438 
1 1 1   19    8   19 o   28.363   1.1160  792.725   61.337  784.961   84.146  801.527   89.598   28.226   1.5357   28.499   1.6196 -0.2725410 2.231929 
1 1 1   19    8   20 o   8.8605   2.3814   53.826   60.891  112.141   84.483  -9.2167   87.840   10.418   3.5186   7.3031   3.2099 3.114748 4.762750 
1 1 1   19    8   21 o   9.9015   2.2972   80.487   60.697  184.947   86.194 -22.2627   85.486   12.894   3.3965   6.9094   3.0939 5.984214 4.594380 
1 1 1   19    8   22 o   21.190   2.2974  512.139   85.887  575.552  109.512  410.807  138.435   23.603   2.3902   18.778   3.9242 4.825069 4.594836 
1 1 1   19    9    0 o   96.581   0.8384  9062.22  157.162  9067.57  220.151  9056.66  224.433   96.611   1.1739   96.551   1.1975 0.5993652E-01 1.676885 
1 1 1   19    9    1 o   94.383   0.8120  8656.34  148.715  8778.62  208.693  8530.18  211.974   95.062   1.1309   93.704   1.1654 1.357330 1.623904 
1 1 1   19    9    2 o   82.761   0.7777  6651.87  124.915  6570.41  174.494  6737.50  178.901   82.242   1.0930   83.281   1.1066 -1.038269 1.555407 
1 1 1   19    9    3 f  105.546   0.9066 10830.36  185.635 10990.77  259.187 10661.40  266.000  106.352   1.2555  104.741   1.3083 1.610901 1.813222 
1 1 1   19    9    4 o  125.991   1.0386 15439.67  253.769 15607.53  352.242 15258.51  365.916  126.709   1.4321  125.274   1.5047 1.435028 2.077271 
1 1 1   19    9    5 o  130.752   1.0757 16627.97  272.608 16679.63  375.623 16570.49  396.256  130.973   1.4774  130.530   1.5639 0.4433746 2.151381 
1 1 1   19    9    6 o   86.204   0.8124  7221.60  135.930  7387.01  192.691  7057.76  191.781   87.188   1.1385   85.221   1.1593 1.967033 1.624865 
1 1 1   19    9    7 o   76.851   0.7553  5739.33  112.645  5788.88  158.041  5688.17  160.599   77.189   1.0547   76.513   1.0813 0.6763992 1.510522 
1 1 1   19    9    8 o   69.038   0.7524  4633.47  100.722  4675.95  139.593  4587.34  145.473   69.370   1.0366   68.706   1.0907 0.6645432 1.504774 
1 1 1   19    9    9 o   57.146   0.7328  3176.81   81.095  3225.56  111.362  3121.76  118.327   57.616   0.9957   56.676   1.0755 0.9398727 1.465654 
1 1 1   19    9   10 o   22.234   1.2244  486.017   51.547  624.261   74.220  357.201   71.645   25.327   1.5096   19.142   1.9281 6.184935 2.448819 
1 1 1   19    9   11 o   39.197   0.8471  1495.63   64.333  1522.48   88.791  1465.97   93.340   39.571   1.1559   38.824   1.2385 0.7464561 1.694130 
1 1 1   19    9   12 o   44.317   0.7920  1911.14   68.092  1946.06   95.209  1874.57   97.422   44.734   1.0964   43.901   1.1432 0.8331146 1.583994 
1 1 1   19    9   13 o   39.077   0.8257  1485.67   62.563  1498.36   90.790  1474.20   86.333   39.233   1.1921   38.920   1.1427 0.3129463 1.651333 
1 1 1   19    9   14 o   34.668   0.9359  1170.71   62.954  1147.80   87.362  1195.46   90.797   34.317   1.3114   35.020   1.3357 -0.7025375 1.871855 
1 1 1   19    9   15 o   21.851   1.3841  468.859   58.686  474.042   82.096  463.444   83.922   21.979   1.9242   21.723   1.9902 0.2553482 2.768289 
1 1 1   19    9   16 o   44.109   0.8449  1897.10   72.309  1982.00  103.304  1815.54  101.246   45.078   1.1805   43.139   1.2091 1.939625 1.689823 
1 1 1   19    9   17 o   22.072   1.3392  479.279   56.945  468.663   75.647  493.162   86.506   21.811   1.7867   22.334   1.9954 -0.5221348 2.678363 
1 1 1   19    9   18 o   20.812   1.4527  440.366   57.057  541.996   79.404  331.871   82.042   23.420   1.7466   18.203   2.3218 5.217346 2.905422 
1 1 1   19    9   19 o   36.767   0.9352  1327.69   66.701  1349.20   93.058  1304.97   95.653   37.083   1.2928   36.452   1.3518 0.6311531 1.870465 
1 1 1   19    9   20 o   23.992   1.2884  573.938   59.827  577.908   81.710  569.350   87.837   24.107   1.7461   23.877   1.8951 0.2299938 2.576824 
1 1 1   19    9   21 f   50.389   0.8613  2496.47   84.203  2581.71  121.325  2417.26  116.958   51.217   1.2203   49.562   1.2157 1.655453 1.722513 
1 1 1   19    9   22 o   12.885   2.8589  199.781   79.857  219.527  100.080  165.175  132.490   13.750   3.6778   12.020   4.3781 1.729731 5.717890 
1 1 1   19   10    0 o   7.0848   1.9670   26.477   40.182   43.444   54.896   6.8950   58.974   7.5872   2.8092   6.5824   2.7541 1.004841 3.934010 
1 1 1   19   10    1 o   76.475   0.7322  5681.03  108.648  5691.57  151.600  5669.90  155.788   76.549   1.0202   76.402   1.0504 0.1475296 1.464324 
1 1 1   19   10    2 o  106.088   0.9135 10931.43  188.060 11128.68  270.390 10746.61  261.736  107.014   1.3016  105.163   1.2821 1.851112 1.827049 
1 1 1   19   10    3 o  112.232   0.9485 12241.76  206.467 12237.74  286.262 12246.12  298.074  112.215   1.3142  112.248   1.3680 -0.3234863E-01 1.896940 
1 1 1   19   10    4 o   74.191   0.7492  5348.37  107.869  5427.74  151.691  5267.17  153.424   74.749   1.0454   73.633   1.0734 1.115616 1.498346 
1 1 1   19   10    5 o   37.123   0.9907  1343.70   68.122  1326.76  114.688  1352.93   84.679   36.932   1.5997   37.314   1.1691 -0.3814163 1.981388 
1 1 1   19   10    6 o   88.348   0.8201  7578.31  140.429  7467.18  192.628  7704.35  205.155   87.660   1.1320   89.036   1.1870 -1.375923 1.640259 
1 1 1   19   10    7 o   72.563   0.7628  5112.96  107.357  5044.09  148.430  5188.50  155.465   72.052   1.0612   73.074   1.0960 -1.021637 1.525586 
1 1 1   19   10    8 o  100.871   0.9174  9888.95  179.428  9795.72  247.304  9992.58  260.726  100.373   1.2693  101.369   1.3250 -0.9955444 1.834834 
1 1 1   19   10    9 o   70.548   0.7641  4834.04  104.530  4777.73  144.173  4896.46  151.776   70.117   1.0592   70.979   1.1016 -0.8622742 1.528215 
1 1 1   19   10   10 o   34.726   0.8389  1164.81   56.355  1051.38   76.409  1300.12   83.452   32.884   1.1970   36.569   1.1756 -3.684769 1.677751 
1 1 1   19   10   11 o   22.364   1.2963  491.207   55.592  513.777   74.132  462.206   84.032   22.964   1.6630   21.764   1.9891 1.200569 2.592657 
1 1 1   19   10   12 o   35.972   0.8548  1254.82   59.586  1350.07   87.141  1171.17   81.660   37.250   1.2051   34.694   1.2125 2.556290 1.709555 
1 1 1   19   10   13 o   32.024   0.9763  1001.54   60.551  1046.01   84.126  953.742   87.223   32.768   1.3225   31.279   1.4365 1.488926 1.952610 
1 1 1   19   10   14 o   40.142   0.8699  1568.03   67.728  1526.28   93.497  1614.13   98.242   39.582   1.2168   40.702   1.2434 -1.119820 1.739768 
1 1 1   19   10   15 o   24.825   1.2313  602.166   59.093  530.185   81.513  681.900   85.791   23.256   1.8056   26.393   1.6745 -3.136631 2.462550 
1 1 1   19   10   16 o   7.6111   2.1807   11.842   54.685   66.596   72.654 -59.7201   83.060   8.8891   3.2414   6.3332   2.9181 2.555871 4.361385 
1 1 1   19   10   17 o   19.639   1.5215  379.586   57.736  350.315   77.256  416.615   86.893   18.796   2.1174   20.483   2.1854 -1.687407 3.042931 
1 1 1   19   10   18 o   40.569   0.8842  1613.46   69.591  1664.05   97.986  1561.98   98.852   41.219   1.2246   39.920   1.2757 1.299515 1.768337 
1 1 1   19   10   19 o   27.495   1.1556  742.315   61.476  690.667   82.969  805.187   91.542   26.446   1.6162   28.544   1.6521 -2.097477 2.311173 
1 1 1   19   10   20 o   32.428   1.0287  1039.53   64.533  1022.86   94.832  1053.91   88.069   32.160   1.5190   32.695   1.3876 -0.5347672 2.057441 
1 1 1   19   10   21 f   23.251   1.4033  544.636   63.109  546.022   85.811  543.003   93.139   23.321   1.8956   23.182   2.0697 0.1385517 2.806586 
1 1 1   19   10   22 o   10.401   2.8507  104.252   84.732  143.800  108.876   43.508  134.933   11.310   3.9869   9.4911   4.0756 1.818914 5.701385 
1 1 1   19   11    0 o  121.699   0.9608 14399.79  226.692 14532.89  313.759 14254.42  327.890  122.291   1.3217  121.106   1.3948 1.185600 1.921522 
1 1 1   19   11    1 o   42.459   0.6638  1747.62   54.619  1697.83   74.759  1804.63   79.993   41.812   0.9211   43.106   0.9560 -1.293961 1.327520 
1 1 1   19   11    2 o   58.005   0.6481  3265.27   72.919  3208.64  100.868  3327.26  105.537   57.479   0.9040   58.531   0.9289 -1.051929 1.296153 
1 1 1   19   11    3 o  108.341   0.9272 11412.47  194.924 11693.45  274.145 11125.18  277.209  109.693   1.2875  106.990   1.3348 2.703636 1.854488 
1 1 1   19   11    4 o   97.630   0.8756  9254.38  165.820  9059.74  229.243  9467.96  240.145   96.556   1.2231   98.704   1.2533 -2.148407 1.751224 
1 1 1   19   11    5 f   90.619   0.8401  7974.49  147.412  7900.56  201.029  8060.48  216.807   90.169   1.1485   91.069   1.2264 -0.9005661 1.680229 
1 1 1   19   11    6 f  108.530   0.9457 11453.37  199.077 11502.04  276.465 11400.96  286.899  108.773   1.3093  108.287   1.3649 0.4865417 1.891356 
1 1 1   19   11    7 o   96.250   0.8718  9006.50  162.699  9045.66  224.941  8963.54  235.611   96.473   1.2012   96.027   1.2640 0.4459457 1.743674 
1 1 1   19   11    8 o   53.821   0.7203  2816.36   75.206  2868.42  105.022  2761.56  107.744   54.333   0.9958   53.308   1.0412 1.024357 1.440700 
1 1 1   19   11    9 o   12.573   2.0464  161.525   53.152  249.661   74.067   67.945   76.320   15.987   2.3866   9.1588   3.3249 6.828629 4.092739 
1 1 1   19   11   10 o   41.047   0.8043  1635.42   63.975  1597.99   87.545  1678.32   93.719   40.545   1.1123   41.549   1.1620 -1.003593 1.608574 
1 1 1   19   11   11 o   67.970   0.7551  4492.37   99.596  4540.36  139.425  4442.35  142.319   68.342   1.0510   67.597   1.0846 0.7450562 1.510251 
1 1 1   19   11   12 o   59.927   0.7429  3495.60   86.336  3587.34  120.529  3398.93  123.729   60.739   1.0223   59.116   1.0782 1.622787 1.485782 
1 1 1   19   11   13 f   28.537   1.0907  797.178   60.137  827.971   82.162  761.645   88.259   29.141   1.4524   27.934   1.6277 1.207680 2.181489 
1 1 1   19   11   14 o   29.119   1.0515  830.460   59.204  869.527   81.496  786.800   86.153   29.855   1.4062   28.382   1.5637 1.472723 2.103010 
1 1 1   19   11   15 f   36.497   0.8693  1297.27   61.525  1216.91   85.454  1383.75   88.653   35.323   1.2463   37.672   1.2123 -2.348526 1.738638 
1 1 1   19   11   16 o   17.547   1.5497  305.596   52.464  268.880   74.519  341.682   73.875   16.477   2.3298   18.617   2.0442 -2.140036 3.099456 
1 1 1   19   11   17 o   7.3798   2.2143   4.0731   55.919 -22.1350   78.566   30.982   79.608   6.7498   2.9979   8.0097   3.2597 -1.259837 4.428676 
1 1 1   19   11   18 f   30.244   1.0560  897.233   61.895  850.030   84.672  951.401   90.705   29.395   1.4839   31.093   1.5028 -1.698040 2.111982 
1 1 1   19   11   19 o   37.747   0.9369  1400.63   68.591  1456.72   96.584  1343.56   97.425   38.521   1.2916   36.973   1.3574 1.548302 1.873763 
1 1 1   19   11   20 o   6.8200   2.1595 -30.0973   60.194   5.8349   82.466 -71.0737   88.064   7.3825   3.1784   6.2576   2.9244 1.124913 4.319085 
1 1 1   19   11   21 o   43.087   0.8943  1825.31   74.567  1887.67  110.575  1773.31  100.983   43.740   1.3023   42.434   1.2260 1.306343 1.788570 
1 1 1   19   11   22 o   11.500   2.8811  137.742   77.991  101.047   96.611  206.395  132.145   9.9741   3.7199   13.026   4.4006 -3.051929 5.762197 
1 1 1   19   12    0 o  105.753   0.9018 10865.25  184.988 10816.67  256.396 10917.98  267.162  105.509   1.2519  105.997   1.2984 -0.4885025 1.803621 
1 1 1   19   12    1 o  112.281   0.9497 12248.05  206.775 12162.86  285.489 12342.04  299.889  111.874   1.3146  112.689   1.3709 -0.8149033 1.899375 
1 1 1   19   12    2 o   94.513   0.8298  8677.72  152.081  8653.21  210.242  8704.61  220.257   94.375   1.1476   94.651   1.1988 -0.2756424 1.659552 
1 1 1   19   12    3 o   58.755   0.6820  3347.76   77.693  3251.60  106.780  3455.94  113.254   57.860   0.9507   59.649   0.9781 -1.789036 1.364011 
1 1 1   19   12    4 o   56.530   0.6943  3095.12   75.822  3016.65  101.796  3192.90  113.634   55.729   0.9410   57.331   1.0211 -1.601135 1.388537 
1 1 1   19   12    5 o   66.597   0.7086  4307.95   91.480  4295.87  125.998  4321.42  133.032   66.499   0.9761   66.694   1.0276 -0.1943283 1.417246 
1 1 1   19   12    6 o   55.077   0.8728  2947.28   85.944  2945.49  103.103  2951.34  155.580   55.065   0.9646   55.089   1.4549 -0.2450943E-01 1.745564 
1 1 1   19   12    7 o   73.783   0.7596  5291.97  108.648  5330.52  150.056  5249.49  157.517   74.068   1.0437   73.498   1.1040 0.5699005 1.519249 
1 1 1   19   12    8 o   56.753   0.7380  3119.19   81.112  2978.00  110.236  3285.88  119.777   55.359   1.0258   58.148   1.0612 -2.788822 1.475926 
1 1 1   19   12    9 o   22.497   1.1980  494.673   52.098  447.542   74.279  540.308   73.090   21.435   1.7852   23.560   1.5982 -2.125345 2.396040 
1 1 1   19   12   10 f   36.954   0.8692  1327.64   62.313  1318.48   86.557  1337.49   89.780   36.823   1.2109   37.085   1.2471 -0.2624283 1.738313 
1 1 1   19   12   11 o   17.783   1.5373  309.080   53.053  319.418   75.336  298.908   74.724   18.080   2.1465   17.487   2.2013 0.5931511 3.074629 
1 1 1   19   12   12 o   41.752   0.8216  1698.90   66.427  1741.86   91.556  1651.15   96.525   42.314   1.1146   41.189   1.2072 1.124832 1.643118 
1 1 1   19   12   13 o   23.476   1.2375  548.843   55.291  617.987   74.580  464.465   82.387   25.168   1.5265   21.784   1.9483 3.384094 2.475083 
1 1 1   19   12   14 o   42.283   0.7712  1737.15   63.224  1629.18   87.318  1856.14   91.664   40.904   1.0997   43.663   1.0815 -2.758625 1.542389 
1 1 1   19   12   15 o   45.536   0.7827  2020.24   69.171  1962.13   97.355  2079.47   98.298   44.873   1.1177   46.198   1.0961 -1.325756 1.565443 
1 1 1   19   12   16 o   53.071   0.7680  2747.66   79.079  2681.75  112.674  2811.65  111.013   52.438   1.1069   53.703   1.0649 -1.264641 1.535981 
1 1 1   19   12   17 o   43.705   0.8107  1864.73   68.716  1983.69   98.673  1752.71   95.753   45.062   1.1280   42.348   1.1648 2.713768 1.621489 
1 1 1   19   12   18 o   37.491   0.9088  1378.14   66.130  1349.08   93.096  1407.73   93.953   37.089   1.2931   37.892   1.2773 -0.8023605 1.817566 
1 1 1   19   12   19 o   27.265   1.1366  733.624   60.111  764.390   87.067  705.603   83.093   27.809   1.6129   26.722   1.6019 1.087463 2.273216 
1 1 1   19   12   20 o   24.306   1.3496  589.199   63.498  530.967   87.302  654.610   92.527   23.018   1.9539   25.594   1.8623 -2.576807 2.699239 
1 1 1   19   12   21 o   28.724   1.3134  819.312   72.815  943.493  109.431  720.643   97.545   30.665   1.8383   26.782   1.8763 3.883318 2.626760 
1 1 1   19   12   22 o   8.3157   2.6136  -2.9758   85.041   29.250  109.304 -52.4003  135.364   8.5688   3.6735   8.0627   3.7186 0.5061512 5.227103 
1 1 1   19   13    0 o   78.972   0.7385  6055.58  113.174  5978.04  157.572  6138.20  162.653   78.450   1.0347   79.493   1.0541 -1.042831 1.477052 
1 1 1   19   13    1 o   57.684   0.6547  3228.77   73.229  3175.04  100.822  3288.76  106.537   57.177   0.9084   58.191   0.9431 -1.013523 1.309458 
1 1 1   19   13    2 o   71.557   0.7157  4974.15   99.335  4985.88  137.925  4961.50  143.186   71.646   0.9917   71.468   1.0321 0.1776352 1.431339 
1 1 1   19   13    3 o  102.132   0.8835 10138.26  175.056 10176.80  243.496 10097.02  251.850  102.336   1.2257  101.929   1.2729 0.4067001 1.767087 
1 1 1   19   13    4 o   87.022   0.8031  7354.50  135.515  7277.63  186.965  7439.59  196.700   86.545   1.1129   87.499   1.1581 -0.9538116 1.606130 
1 1 1   19   13    5 o   78.553   0.7693  5997.43  117.185  6034.51  162.252  5957.00  169.429   78.809   1.0606   78.297   1.1148 0.5120926 1.538679 
1 1 1   19   13    6 o   25.252   1.0130  622.751   49.355  649.162   67.105  591.629   72.846   25.840   1.3378   24.663   1.5216 1.177610 2.026062 
1 1 1   19   13    7 o  125.959   1.0561 15432.94  257.952 15382.93  356.295 15488.03  373.944  125.751   1.4596  126.166   1.5269 -0.4154434 2.112274 
1 1 1   19   13    8 o   98.570   0.8867  9446.99  169.478  9447.80  234.326  9446.10  245.416   98.579   1.2245   98.562   1.2827 0.1692963E-01 1.773369 
1 1 1   19   13    9 o   39.074   0.8134  1486.65   61.500  1518.98   84.243  1449.75   89.991   39.532   1.0978   38.616   1.2005 0.9167480 1.626766 
1 1 1   19   13   10 o   77.033   0.7926  5769.42  118.512  5835.21  167.286  5703.13  167.917   77.475   1.1123   76.591   1.1294 0.8836899 1.585190 
1 1 1   19   13   11 o   71.355   0.7686  4942.28  106.354  4764.30  146.447  5140.91  154.707   69.999   1.0778   72.711   1.0961 -2.711845 1.537193 
1 1 1   19   13   12 o   44.876   0.7925  1958.16   68.878  1940.90   94.083  1978.09  101.112   44.667   1.0851   45.086   1.1553 -0.4190254 1.584982 
1 1 1   19   13   13 o   32.762   0.9053  1044.60   57.545  1081.58   82.982  1010.34   79.868   33.319   1.2830   32.204   1.2776 1.115528 1.810630 
1 1 1   19   13   14 o   13.159   2.1607  179.259   54.155  187.766   75.833  170.405   77.362   13.491   2.9756   12.827   3.1337 0.6640596 4.321388 
1 1 1   19   13   15 o   28.117   1.0908  770.693   59.305  745.344   79.905  801.781   88.490   27.611   1.4908   28.623   1.5926 -1.011648 2.181532 
1 1 1   19   13   16 o   34.629   0.9631  1182.01   64.226  1296.99   88.614  1054.76   93.219   36.438   1.2528   32.821   1.4631 3.616585 1.926223 
1 1 1   19   13   17 o   33.274   0.9626  1085.44   61.963  1088.85   84.316  1081.44   91.367   33.344   1.3026   33.203   1.4176 0.1408081 1.925185 
1 1 1   19   13   18 o   14.504   2.1144  221.640   58.512  262.999   81.901  178.523   83.623   16.121   2.6172   12.888   3.3217 3.233158 4.228879 
1 1 1   19   13   19 o   29.970   1.0178  884.991   59.206  880.537   84.229  889.342   83.240   29.892   1.4516   30.048   1.4271 -0.1566925 2.035614 
1 1 1   19   13   20 o   17.622   1.7480  319.104   59.184  303.264   88.793  331.767   79.392   17.153   2.6667   18.090   2.2608 -0.9369164 3.496056 
1 1 1   19   13   21 o   10.633   2.7438  110.179   81.088  177.318  103.026   0.8822  131.451   12.447   3.8616   8.8178   3.8989 3.629653 5.487529 
1 1 1   19   13   22 o   16.318   2.8406  314.724   87.013  302.243  109.129  336.509  144.173   16.199   3.5669   16.436   4.4219 -0.2370987 5.681186 
1 1 1   19   14    0 o   45.013   0.6467  1964.87   56.447  1905.89   77.751  2030.60   82.082   44.300   0.9041   45.725   0.9248 -1.425758 1.293313 
1 1 1   19   14    1 o   86.978   0.8111  7343.21  136.808  7211.14  188.565  7490.01  198.792   86.154   1.1275   87.801   1.1664 -1.647141 1.622244 
1 1 1   19   14    2 o   67.321   0.6907  4405.48   90.186  4507.19  125.924  4298.38  129.225   68.121   0.9523   66.522   1.0007 1.599182 1.381412 
1 1 1   19   14    3 o  138.242   1.1006 18587.36  294.815 18607.47  405.086 18564.72  429.879  138.330   1.5086  138.154   1.6029 0.1758118 2.201181 
1 1 1   19   14    4 o   44.101   0.8234  1878.53   69.790  1968.83  107.516  1812.79   91.745   45.008   1.2306   43.194   1.0942 1.814175 1.646711 
1 1 1   19   14    5 o   74.163   0.7496  5340.88  107.751  5290.38  147.953  5397.91  157.234   73.792   1.0329   74.534   1.0867 -0.7422104 1.499283 
1 1 1   19   14    6 o   31.431   0.8782  954.854   53.184  918.594   70.458  1002.88   81.084   30.744   1.1806   32.119   1.3005 -1.374916 1.756454 
1 1 1   19   14    7 o   50.343   0.7127  2462.26   69.609  2452.11   96.723  2473.17  100.257   50.236   0.9919   50.449   1.0237 -0.2134285 1.425427 
1 1 1   19   14    8 o   23.496   1.1467  541.893   51.855  602.452   71.850  476.057   74.915   24.883   1.4875   22.109   1.7455 2.774008 2.293348 
1 1 1   19   14    9 o   71.377   0.7682  4952.97  106.408  5007.03  149.253  4897.10  151.744   71.775   1.0712   70.980   1.1013 0.7951202 1.536377 
1 1 1   19   14   10 o   58.187   0.7280  3292.14   82.194  3345.91  115.093  3236.18  117.422   58.674   1.0105   57.700   1.0483 0.9730873 1.456075 
1 1 1   19   14   11 o   78.462   0.8039  5990.42  122.392  6099.42  171.543  5877.41  174.676   79.193   1.1159   77.732   1.1576 1.460625 1.607888 
1 1 1   19   14   12 o   29.096   0.9614  824.876   54.285  847.940   76.837  801.892   76.705   29.503   1.3416   28.688   1.3774 0.8150959 1.922818 
1 1 1   19   14   13 o   39.074   0.8401  1490.80   63.541  1562.78   88.095  1412.75   91.736   40.066   1.1327   38.082   1.2409 1.983284 1.680156 
1 1 1   19   14   14 o   11.709   2.3646  140.258   56.321  131.014   76.689  151.082   82.984   11.318   3.2924   12.100   3.3949 -0.7812195 4.729208 
1 1 1   19   14   15 o   11.107   2.3733  122.729   55.333  101.817   73.185  150.637   84.544   10.156   3.2683   12.058   3.4420 -1.901534 4.746500 
1 1 1   19   14   16 o   35.924   0.8999  1269.53   62.218  1337.20   84.123  1187.82   92.445   37.007   1.1710   34.841   1.3669 2.165844 1.799886 
1 1 1   19   14   17 o   20.023   1.5344  397.622   59.019  324.868   80.775  480.947   86.445   18.032   2.3076   22.013   2.0230 -3.981010 3.068825 
1 1 1   19   14   18 o   15.961   1.9676  267.148   58.567  315.279   81.253  215.103   84.494   17.717   2.3626   14.205   3.1470 3.511427 3.935215 
1 1 1   19   14   19 o   17.848   1.7470  323.939   60.373  299.859   85.664  347.702   85.100   17.155   2.5725   18.541   2.3645 -1.386314 3.494061 
1 1 1   19   14   20 o   14.840   2.1210  236.467   59.867  266.065   83.064  204.472   86.361   16.057   2.6649   13.623   3.3005 2.434466 4.242088 
1 1 1   19   14   21 o   22.316   1.9961  518.580   85.110  494.293  110.059  554.709  134.236   21.804   2.6003   22.828   3.0292 -1.024649 3.992230 
1 1 1   19   15    0 o   92.865   0.8300  8375.15  149.476  8298.17  206.413  8460.03  216.747   92.418   1.1506   93.311   1.1966 -0.8931427 1.660034 
1 1 1   19   15    1 o   17.887   1.8196  386.305   49.672  478.948   60.145  187.551   88.095   22.197   1.3958   13.576   3.3608 8.621300 3.639111 
1 1 1   19   15    2 o  110.233   0.9418 11811.17  201.297 11817.08  278.242 11804.68  291.580  110.266   1.2999  110.200   1.3630 0.6537628E-01 1.883527 
1 1 1   19   15    3 o   75.371   0.7518  5523.26  109.893  5645.49  153.364  5394.27  157.544   76.231   1.0364   74.512   1.0892 1.719040 1.503501 
1 1 1   19   15    4 o   53.936   0.6842  2821.23   71.422  2767.50   96.935  2885.04  105.636   53.376   0.9355   54.495   0.9986 -1.118546 1.368376 
1 1 1   19   15    5 o   75.317   0.7558  5501.71  110.327  5345.35  151.096  5680.28  161.474   74.174   1.0494   76.459   1.0879 -2.285583 1.511567 
1 1 1   19   15    6 o   23.376   1.1628  529.891   52.276  518.185   69.027  545.635   80.051   23.078   1.5408   23.674   1.7419 -0.5955296 2.325594 
1 1 1   19   15    7 o   69.350   0.7447  4676.55  100.177  4881.88  141.536  4470.43  141.807   70.879   1.0287   67.822   1.0771 3.056511 1.489421 
1 1 1   19   15    8 o   84.357   0.8136  6916.78  133.201  6895.29  186.610  6939.10  190.191   84.225   1.1414   84.490   1.1596 -0.2651443 1.627109 
1 1 1   19   15    9 o   55.601   0.7426  3000.03   80.082  2888.47  110.535  3123.27  116.180   54.516   1.0445   56.687   1.0558 -2.171669 1.485170 
1 1 1   19   15   10 o   16.303   1.7601  261.047   53.698  207.693   72.324  326.588   80.159   14.327   2.6996   18.278   2.2592 -3.951356 3.520162 
1 1 1   19   15   11 o   33.284   0.9074  1072.98   58.410  1019.39   78.634  1138.94   87.244   32.364   1.2517   34.204   1.3140 -1.840416 1.814718 
1 1 1   19   15   12 o   32.372   0.9122  1020.44   57.314  993.182   80.413  1048.58   81.712   31.932   1.2973   32.812   1.2829 -0.8797379 1.824485 
1 1 1   19   15   13 o   18.705   1.5541  345.837   55.459  356.574   72.715  330.908   85.747   19.076   1.9637   18.333   2.4095 0.7432003 3.108299 
1 1 1   19   15   14 o   36.808   0.8924  1319.55   63.468  1303.80   85.481  1338.89   94.746   36.571   1.2041   37.044   1.3176 -0.4729004 1.784897 
1 1 1   19   15   15 o   41.911   0.8103  1713.79   65.845  1736.37   91.259  1689.27   95.097   42.204   1.1139   41.618   1.1771 0.5868721 1.620629 
1 1 1   19   15   16 o   40.238   0.8234  1581.69   64.255  1571.92   92.762  1590.70   89.090   40.113   1.1913   40.363   1.1371 -0.2505798 1.646846 
1 1 1   19   15   17 f   9.3975   2.3148   83.916   51.804   79.684   72.214   88.403   74.358   9.2235   3.2475   9.5715   3.2997 -0.3479471 4.629659 
1 1 1   19   15   18 o   18.705   1.5970  351.641   57.797  327.250   82.942  374.665   80.583   18.044   2.3680   19.367   2.1435 -1.323189 3.194044 
1 1 1   19   15   19 o   27.035   1.1885  725.170   62.315  763.383   88.443  687.497   87.814   27.756   1.6415   26.314   1.7192 1.441788 2.376998 
1 1 1   19   15   20 o   21.233   1.5383  457.596   63.224  482.579   87.992  430.932   90.903   21.875   2.0722   20.592   2.2741 1.282640 3.076648 
1 1 1   19   15   21 o   30.124   1.5158  923.875   85.748  921.438  108.505  927.928  139.937   30.255   1.8475   29.992   2.4036 0.2631550 3.031588 
1 1 1   19   16    0 o   19.740   1.1099  380.175   42.046  387.628   55.742  370.337   64.044   19.968   1.4380   19.512   1.6909 0.4564457 2.219701 
1 1 1   19   16    1 o   95.431   1.0181  8857.58  181.626  8840.17  300.305  8867.62  228.067   95.335   1.6227   95.526   1.2299 -0.1908112 2.036148 
1 1 1   19   16    2 o  129.319   1.1146 16260.64  279.316 16178.96  383.337 16353.09  407.825  128.981   1.5311  129.658   1.6204 -0.6767273 2.229278 
1 1 1   19   16    3 o   36.524   0.9088  1288.42   58.686  1276.81   69.674  1316.76  108.876   36.254   0.9901   36.794   1.5244 -0.5401344 1.817676 
1 1 1   19   16    4 o   53.376   0.6874  2764.02   71.072  2714.17   97.023  2821.74  104.405   52.859   0.9456   53.894   0.9980 -1.034718 1.374787 
1 1 1   19   16    5 o   9.6590   2.2320   87.912   48.131   88.808   66.357   86.917   69.916   9.6574   3.1125   9.6605   3.2000 -0.3122330E-02 4.464054 
1 1 1   19   16    6 o   90.941   0.8531  8036.62  150.549  8322.03  215.059  7762.35  210.822   92.525   1.1974   89.358   1.2154 3.167549 1.706145 
1 1 1   19   16    7 o   60.247   0.7186  3524.63   83.929  3483.05  115.476  3571.20  122.197   59.872   0.9936   60.622   1.0384 -0.7498055 1.437185 
1 1 1   19   16    8 o   41.839   0.7983  1704.61   64.682  1756.19   89.307  1647.71   93.806   42.508   1.0823   41.170   1.1738 1.338661 1.596607 
1 1 1   19   16    9 o   67.052   0.7433  4368.78   96.729  4290.97  135.472  4449.71  138.159   66.444   1.0503   67.661   1.0519 -1.217728 1.486515 
1 1 1   19   16   10 o   53.706   0.7471  2806.53   77.773  2853.45  107.610  2755.22  112.531   54.179   1.0232   53.233   1.0890 0.9461861 1.494270 
1 1 1   19   16   11 o   53.201   0.7253  2751.83   74.892  2706.72  104.925  2798.68  106.930   52.757   1.0246   53.646   1.0268 -0.8884659 1.450553 
1 1 1   19   16   12 o   32.696   0.9421  1044.36   59.300  1064.41   79.381  1019.04   89.202   33.061   1.2369   32.331   1.4213 0.7293472 1.884157 
1 1 1   19   16   13 o   7.9007   2.2972   22.144   56.613   28.994   76.959   14.064   83.576   7.9540   3.2166   7.8475   3.2806 0.1064601 4.594429 
1 1 1   19   16   14 o   27.236   1.0718  724.396   56.632  746.326   81.828  704.235   78.458   27.630   1.5257   26.842   1.5058 0.7879333 2.143596 
1 1 1   19   16   15 o   18.459   1.4879  336.275   53.284  343.659   74.674  328.615   76.054   18.671   2.0603   18.246   2.1473 0.4253464 2.975835 
1 1 1   19   16   16 o   25.536   1.1144  639.803   55.207  610.640   76.694  671.163   79.531   24.931   1.5847   26.141   1.5673 -1.209782 2.228838 
1 1 1   19   16   17 o   43.554   0.8023  1854.89   67.817  1890.06   96.875  1821.09   94.969   43.958   1.1353   43.149   1.1338 0.8090858 1.604510 
1 1 1   19   16   18 o   19.932   1.4822  397.056   56.687  477.305   81.887  323.212   78.551   21.911   1.9252   17.952   2.2541 3.959314 2.964357 
1 1 1   19   16   19 o   22.533   1.3377  508.814   58.144  487.646   86.063  526.587   78.863   22.060   2.0098   23.006   1.7659 -0.9463997 2.675352 
1 1 1   19   16   20 o   36.920   0.9666  1345.95   69.257  1388.92   98.451  1303.86   97.446   37.510   1.3521   36.330   1.3818 1.180351 1.933261 
1 1 1   19   16   21 o   11.642   2.9099  149.615   79.931  138.490  100.469  168.798  131.933   11.151   3.8360   12.134   4.3766 -0.9825306 5.819736 
1 1 1   19   17    0 f   46.308   0.6683  2074.66   59.904  1979.39   81.100  2189.04   88.865   45.144   0.9255   47.473   0.9643 -2.329193 1.336556 
1 1 1   19   17    1 o   78.942   0.7573  6055.99  115.962  6098.18  161.200  6010.75  166.942   79.228   1.0481   78.655   1.0934 0.5732040 1.514621 
1 1 1   19   17    2 o   55.808   0.6592  3028.50   71.322  3104.67   99.177  2946.92  102.641   56.537   0.9037   55.079   0.9600 1.457623 1.318420 
1 1 1   19   17    3 o   57.224   0.6849  3180.71   76.049  3169.87  106.056  3192.19  109.108   57.124   0.9564   57.323   0.9805 -0.1994743 1.369745 
1 1 1   19   17    4 o   87.881   0.8133  7503.80  138.665  7466.21  192.793  7544.07  199.587   87.655   1.1331   88.108   1.1670 -0.4526978 1.626528 
1 1 1   19   17    5 o   88.236   0.8154  7564.95  139.554  7526.32  193.223  7607.07  201.775   88.003   1.1311   88.469   1.1749 -0.4664230 1.630885 
1 1 1   19   17    6 o   26.412   0.9936  685.089   50.387  736.976   68.154  622.546   74.827   27.530   1.2753   25.293   1.5240 2.237310 1.987229 
1 1 1   19   17    7 o   76.076   0.7682  5624.90  113.404  5629.30  158.430  5620.27  162.400   76.108   1.0724   76.045   1.1002 0.6366730E-01 1.536322 
1 1 1   19   17    8 o   32.793   0.8853  1036.21   55.936  972.772   73.902  1121.30   85.589   31.631   1.2036   33.955   1.2985 -2.324226 1.770553 
1 1 1   19   17    9 o   24.499   1.1318  584.062   53.587  579.758   72.322  589.302   79.793   24.402   1.5268   24.595   1.6713 -0.1925011 2.263684 
1 1 1   19   17   10 o   29.901   0.9852  869.662   56.914  862.670   76.691  878.234   84.911   29.772   1.3270   30.030   1.4566 -0.2588234 1.970445 
1 1 1   19   17   11 o   26.247   1.1186  680.244   56.262  749.701   76.486  598.347   83.053   27.737   1.4205   24.756   1.7283 2.981159 2.237159 
1 1 1   19   17   12 o   42.829   0.8184  1795.28   67.535  1879.56   91.489  1694.36  100.111   43.948   1.0724   41.709   1.2365 2.239323 1.636747 
1 1 1   19   17   13 o   11.846   2.2433  144.653   52.649  136.423   73.708  153.227   75.229   11.518   3.1882   12.174   3.1568 -0.6559029 4.486668 
1 1 1   19   17   14 o   44.916   0.7846  1965.89   68.411  1971.35   96.963  1960.47   96.533   44.978   1.1106   44.854   1.1087 0.1240158 1.569232 
1 1 1   19   17   15 o   40.240   0.8562  1584.53   66.715  1664.53   92.803  1498.97   95.975   41.304   1.1575   39.177   1.2620 2.127110 1.712425 
1 1 1   19   17   16 o   36.454   0.8971  1304.93   63.107  1348.78   85.602  1252.72   93.400   37.146   1.1872   35.762   1.3454 1.383240 1.794288 
1 1 1   19   17   17 o   27.891   1.1315  770.717   60.928  817.452   83.704  718.052   88.856   28.822   1.4961   26.960   1.6979 1.862167 2.262982 
1 1 1   19   17   18 o   31.333   1.0414  968.436   62.891  979.574   84.372  954.509   94.345   31.565   1.3770   31.101   1.5627 0.4637814 2.082841 
1 1 1   19   17   19 o   45.175   0.8669  2003.40   75.893  1848.81  105.620  2168.42  109.125   43.362   1.2548   46.989   1.1964 -3.626202 1.733717 
1 1 1   19   17   20 o   19.393   1.6369  385.323   61.263  341.779   87.049  428.056   86.235   18.243   2.4581   20.544   2.1624 -2.301081 3.273888 
1 1 1   19   17   21 o   10.593   2.8068  103.314   77.214   59.583   97.776  175.775  125.859   8.9396   3.6220   12.246   4.2888 -3.306058 5.613602 
1 1 1   19   18    0 o   74.565   0.7308  5400.03  105.674  5373.67  146.057  5428.98  153.081   74.375   1.0116   74.754   1.0549 -0.3789368 1.461604 
1 1 1   19   18    1 o   67.327   0.6850  4404.26   89.497  4441.21  125.230  4365.69  127.951   67.617   0.9541   67.038   0.9832 0.5790253 1.370049 
1 1 1   19   18    2 o   61.040   0.6919  3621.39   81.936  3690.27  114.630  3549.44  117.160   61.635   0.9581   60.445   0.9985 1.189754 1.383828 
1 1 1   19   18    3 o   38.525   0.7605  1443.25   56.786  1467.38   78.600  1416.89   82.131   38.863   1.0419   38.186   1.1080 0.6769447 1.520912 
1 1 1   19   18    4 o   70.242   0.7266  4791.47   98.796  4765.53  134.562  4821.80  145.517   70.038   0.9897   70.446   1.0641 -0.4071655 1.453259 
1 1 1   19   18    5 o   45.422   0.7177  2004.42   62.875  2001.86   84.277  2007.64   94.424   45.393   0.9564   45.452   1.0702 -0.5982208E-01 1.435301 
1 1 1   19   18    6 o   50.730   0.7286  2499.46   71.547  2482.66   97.470  2519.09  105.356   50.548   0.9934   50.913   1.0660 -0.3652191 1.457108 
1 1 1   19   18    7 o  114.731   0.9886 12807.76  220.078 12926.50  307.429 12682.96  315.190  115.281   1.3738  114.181   1.4220 1.099861 1.977258 
1 1 1   19   18    8 o   55.299   0.7201  2968.61   77.247  2885.34  106.846  3059.79  111.810   54.488   1.0102   56.110   1.0265 -1.621857 1.440207 
1 1 1   19   18    9 o   81.523   0.8244  6463.60  130.449  6561.60  184.044  6364.65  184.926   82.145   1.1542   80.900   1.1776 1.245308 1.648874 
1 1 1   19   18   10 o   72.771   0.7720  5149.70  109.044  5212.37  155.199  5088.59  153.244   73.208   1.0921   72.334   1.0914 0.8743973 1.543964 
1 1 1   19   18   11 o   23.783   1.2719  556.560   57.924  579.076   76.827  526.902   88.175   24.359   1.6247   23.208   1.9573 1.151752 2.543760 
1 1 1   19   18   12 o   19.891   1.4337  386.443   55.224  351.387   75.865  425.951   80.540   18.931   2.0644   20.851   1.9899 -1.919479 2.867323 
1 1 1   19   18   13 f   39.969   0.8217  1555.18   63.617  1535.82   86.888  1577.54   93.400   39.706   1.1273   40.233   1.1959 -0.5264816 1.643489 
1 1 1   19   18   14 o   5.3033   1.7793 -110.2925   52.772 -35.1320   69.106 -215.4400   81.737   6.0704   2.7444   4.5363   2.2653 1.534068 3.558524 
1 1 1   19   18   15 o   20.944   1.4131  440.489   56.283  484.639   75.081  383.854   85.037   22.204   1.7419   19.683   2.2256 2.521511 2.826260 
1 1 1   19   18   16 o   12.314   2.2142  162.994   56.193  231.266   77.533   87.452   81.556   14.919   2.7795   9.7088   3.4476 5.210055 4.428488 
1 1 1   19   18   17 o   14.669   2.0534  229.643   56.502  266.951   75.789  182.963   84.777   16.295   2.3960   13.042   3.3354 3.253122 4.106764 
1 1 1   19   18   18 o   34.838   1.0501  1201.45   70.680  1130.62  103.064  1264.35   97.114   33.833   1.5693   35.843   1.3958 -2.009968 2.100188 
1 1 1   19   18   19 o   15.929   2.0445  261.540   60.784  184.266   80.349  364.935   92.943   12.980   3.2074   18.878   2.5362 -5.898026 4.088954 
1 1 1   19   18   20 o   23.920   1.7819  585.295   81.387  562.692  105.216  618.966  128.418   23.464   2.3100   24.377   2.7138 -0.9130917 3.563864 
1 1 1   19   18   21 f   11.900   2.7761  143.749   75.964   76.926   95.955  255.947  124.336   9.3086   3.6479   14.491   4.1856 -5.182658 5.552162 
1 1 1   19   19    0 o   56.052   0.6586  3045.25   71.387  2980.70   96.386  3123.68  106.246   55.397   0.8963   56.706   0.9652 -1.309799 1.317195 
1 1 1   19   19    1 o   21.156   1.1352  437.032   46.366  452.799   63.059  418.476   68.409   21.576   1.5056   20.736   1.6995 0.8398819 2.270470 
1 1 1   19   19    2 o   27.093   0.9231  706.775   48.229  657.655   63.914  771.735   73.500   26.011   1.2658   28.174   1.3439 -2.163162 1.846182 
1 1 1   19   19    3 o   55.776   0.6711  3023.64   72.513  3048.41   99.652  2995.76  105.715   56.021   0.9164   55.532   0.9807 0.4890785 1.342187 
1 1 1   19   19    4 o  124.829   1.0433 15159.24  252.589 15194.67  350.091 15120.77  364.793  124.987   1.4429  124.670   1.5074 0.3164444 2.086684 
1 1 1   19   19    5 o   33.816   0.8585  1102.50   55.963  1038.52   74.110  1187.39   85.364   32.686   1.1680   34.946   1.2584 -2.259968 1.716935 
1 1 1   19   19    6 o   50.391   0.7268  2465.45   71.014  2428.08   97.801  2507.14  103.280   49.988   1.0079   50.793   1.0475 -0.8050003 1.453636 
1 1 1   19   19    7 o   23.248   1.1994  522.821   53.879  491.390   72.105  562.557   81.073   22.464   1.6535   24.032   1.7379 -1.567638 2.398847 
1 1 1   19   19    8 o   91.796   0.8572  8195.02  152.738  8314.52  215.678  8074.79  216.332   92.469   1.2016   91.123   1.2230 1.345932 1.714497 
1 1 1   19   19    9 o   35.158   0.8944  1204.81   60.464  1219.26   80.443  1186.05   91.671   35.407   1.1704   34.909   1.3528 0.4975090 1.788824 
1 1 1   19   19   10 o   63.882   0.7576  3965.19   93.852  3886.00  129.286  4053.42  136.458   63.210   1.0537   64.553   1.0890 -1.342773 1.515268 
1 1 1   19   19   11 o   26.800   1.1024  703.675   56.678  721.153   75.175  680.655   86.275   27.199   1.4238   26.401   1.6834 0.7975540 2.204826 
1 1 1   19   19   12 o   19.750   1.4077  388.928   52.990  453.418   73.038  317.260   76.996   21.531   1.7475   17.969   2.2074 3.561607 2.815382 
1 1 1   19   19   13 o   15.913   1.9032  255.591   57.027  261.413   76.714  248.401   85.256   16.266   2.4295   15.559   2.9303 0.7073765 3.806463 
1 1 1   19   19   14 o   21.926   1.3276  473.294   56.018  479.884   74.808  464.881   84.521   22.118   1.7423   21.733   2.0035 0.3853512 2.655110 
1 1 1   19   19   15 o   23.667   1.2381  555.639   56.398  602.328   77.222  502.268   82.563   24.767   1.6062   22.568   1.8847 2.199572 2.476255 
1 1 1   19   19   16 o   44.165   0.7756  1903.20   66.441  1977.57   96.291  1835.61   91.794   44.985   1.1027   43.344   1.0910 1.641563 1.551179 
1 1 1   19   19   17 o   42.699   0.8897  1751.10   72.267  1963.81  116.729  1618.92   92.023   44.729   1.3444   40.668   1.1657 4.060711 1.779376 
1 1 1   19   19   18 o   14.048   2.0143  210.188   53.705  249.879   74.158  166.413   77.880   15.701   2.4332   12.395   3.2109 3.305626 4.028682 
1 1 1   19   19   19 o   14.501   2.2267  229.313   60.630  233.530   81.606  224.117   90.583   14.738   2.9553   14.264   3.3316 0.4738283 4.453486 
1 1 1   19   19   20 o   7.9664   2.4808  -0.3928   73.618   23.191   91.644 -43.2992  123.610   8.0089   3.3964   7.9240   3.6167 0.8493662E-01 4.961504 
1 1 1   19   19   21 o   24.468   1.8074  627.596   83.669  628.506  107.378  626.189  133.490   24.701   2.2394   24.236   2.8375 0.4656563 3.614702 
1 1 1   19   20    0 o   88.779   0.8145  7652.56  140.225  7513.24  193.405  7806.96  203.605   87.930   1.1331   89.628   1.1702 -1.698669 1.628923 
1 1 1   19   20    1 o   31.765   0.7944  976.106   48.499  950.712   63.867  1010.70   74.540   31.281   1.0518   32.248   1.1907 -0.9670849 1.588745 
1 1 1   19   20    2 o   70.367   0.7184  4811.02   98.119  4845.24  137.787  4775.82  139.757   70.621   1.0051   70.112   1.0269 0.5091248 1.436891 
1 1 1   19   20    3 o   43.009   0.7029  1797.06   58.680  1813.78   83.144  1780.46   82.829   43.208   0.9913   42.809   0.9967 0.3988914 1.405752 
1 1 1   19   20    4 o   56.811   0.8283  3182.47   87.410  3302.46  109.952  2976.42  144.091   58.301   0.9716   55.322   1.3418 2.978893 1.656574 
1 1 1   19   20    5 o   82.693   0.7981  6638.69  127.974  6491.09  176.120  6803.79  186.271   81.723   1.1102   83.664   1.1469 -1.941399 1.596253 
1 1 1   19   20    6 o   51.530   0.7233  2579.33   72.330  2539.82  100.817  2621.23  103.831   51.124   1.0159   51.936   1.0299 -0.8119469 1.446605 
1 1 1   19   20    7 o   32.461   0.9253  1030.43   57.715  1068.54   77.202  982.131   86.898   33.150   1.1997   31.771   1.4090 1.379440 1.850574 
1 1 1   19   20    8 o  103.581   0.9314 10442.88  187.167 10624.39  261.905 10253.42  267.574  104.506   1.2910  102.656   1.3428 1.850243 1.862726 
1 1 1   19   20    9 o   35.509   0.8612  1227.45   59.302  1159.45   83.712  1295.96   84.020   34.519   1.2493   36.499   1.1859 -1.980232 1.722498 
1 1 1   19   20   10 o  114.208   1.0440 12714.83  231.455 12847.78  327.694 12582.49  326.960  114.806   1.4704  113.610   1.4826 1.195534 2.088083 
1 1 1   19   20   11 o   85.140   0.8425  7051.27  139.165  6837.60  193.073  7282.31  200.770   83.800   1.1869   86.480   1.1960 -2.680061 1.684950 
1 1 1   19   20   12 o   30.543   0.9907  912.891   58.123  929.581   77.236  891.096   88.259   30.879   1.2885   30.208   1.5051 0.6704216 1.981342 
1 1 1   19   20   13 o   55.949   0.7577  3042.30   82.104  2951.51  111.797  3148.59  120.971   55.050   1.0462   56.848   1.0962 -1.798649 1.515321 
1 1 1   19   20   14 o   38.852   0.8157  1472.25   61.517  1450.91   86.645  1493.95   87.355   38.568   1.1573   39.137   1.1498 -0.5691605 1.631420 
1 1 1   19   20   15 o   37.268   0.8499  1356.79   61.466  1312.62   85.955  1403.01   87.930   36.646   1.2083   37.889   1.1955 -1.243649 1.699786 
1 1 1   19   20   16 o   8.3798   2.3320   46.704   55.312   54.948   83.700   40.312   73.697   8.7508   3.4132   8.0089   3.1784 0.7419281 4.663925 
1 1 1   19   20   17 o   10.835   2.3302  120.514   53.509   96.179   71.302  151.887   80.960   9.7681   3.2314   11.902   3.3582 -2.133440 4.660360 
1 1 1   19   20   18 o   24.871   1.2109  614.740   58.152  620.388   78.544  607.886   86.511   25.028   1.6167   24.714   1.8033 0.3137989 2.421875 
1 1 1   19   20   19 o   6.7927   2.1045 -27.4688   56.856   37.356   78.922 -97.4097   81.977   7.9781   3.2461   5.6074   2.6793 2.370727 4.209008 
1 1 1   19   20   20 o   12.122   2.7323  171.604   79.003  235.038  101.102   72.130  126.606   14.319   3.6318   9.9251   4.0831 4.393908 5.464636 
1 1 1   19   21    0 o   48.773   0.6621  2311.27   62.514  2317.96   85.400  2303.54   91.759   48.851   0.9006   48.696   0.9707 0.1550407 1.324128 
1 1 1   19   21    1 o   27.882   0.9032  755.666   48.728  755.416   66.315  755.960   71.839   27.879   1.2254   27.885   1.3271 -0.6677628E-02 1.806345 
1 1 1   19   21    2 o   28.980   0.8624  812.016   48.355  727.608   65.944  910.190   71.118   27.359   1.2417   30.602   1.1972 -3.242374 1.724845 
1 1 1   19   21    3 o   42.065   0.6963  1709.18   56.564  1626.98   75.554  1814.01   85.321   40.922   0.9511   43.207   1.0173 -2.285069 1.392636 
1 1 1   19   21    4 o   59.538   0.6985  3442.01   80.527  3413.05  109.882  3475.60  118.354   59.269   0.9551   59.806   1.0195 -0.5363655 1.396945 
1 1 1   19   21    5 o   45.847   0.7391  2041.94   65.767  2003.97   92.022  2081.59   94.027   45.411   1.0439   46.282   1.0466 -0.8709335 1.478202 
1 1 1   19   21    6 o   10.844   2.4997  114.193   59.525  131.265   72.029   77.422  105.713   11.390   3.1513   10.297   3.8812 1.093266 4.999410 
1 1 1   19   21    7 o   68.213   0.7409  4522.00   98.096  4477.93  137.731  4567.38  139.747   67.876   1.0453   68.550   1.0502 -0.6740875 1.481765 
1 1 1   19   21    8 o   57.872   0.7462  3249.40   83.735  3111.67  115.218  3403.57  121.904   56.576   1.0491   59.169   1.0614 -2.593105 1.492357 
1 1 1   19   21    9 o   73.318   0.7823  5228.35  111.306  5212.88  155.269  5244.70  159.644   73.208   1.0926   73.428   1.1200 -0.2191849 1.564675 
1 1 1   19   21   10 f   34.492   0.9194  1151.10   61.282  1082.30   82.048  1237.92   92.164   33.337   1.2679   35.647   1.3319 -2.310066 1.838888 
1 1 1   19   21   11 f   69.693   0.7788  4728.34  105.346  4789.25  148.749  4667.05  149.215   70.145   1.0924   69.241   1.1102 0.9039459 1.557516 
1 1 1   19   21   12 o   66.520   0.7776  4308.86  100.357  4287.48  139.568  4331.75  144.409   66.352   1.0836   66.687   1.1156 -0.3349152 1.555191 
1 1 1   19   21   13 o   74.407   0.7933  5395.85  114.574  5338.21  161.802  5453.82  162.264   74.007   1.1263   74.807   1.1174 -0.7995605 1.586537 
1 1 1   19   21   14 o   24.510   1.1682  588.652   55.205  500.535   76.274  685.596   80.003   22.572   1.7408   26.449   1.5582 -3.876842 2.336309 
1 1 1   19   21   15 o   51.406   0.8635  2570.99   84.833  2659.51  133.127  2510.47  110.077   52.116   1.3159   50.696   1.1185 1.419708 1.727072 
1 1 1   19   21   16 o   29.523   1.0284  861.312   58.296  889.171   77.714  825.464   88.154   30.103   1.3299   28.943   1.5690 1.159821 2.056830 
1 1 1   19   21   17 o   28.842   1.1145  813.763   61.350  783.073   79.163  859.914   97.077   28.205   1.4459   29.480   1.6964 -1.274124 2.228966 
1 1 1   19   21   18 o   24.802   1.2812  614.008   60.981  619.765   80.677  606.336   93.140   24.989   1.6632   24.615   1.9492 0.3735256 2.562336 
1 1 1   19   21   19 o   10.719   2.5232  122.792   61.495  111.097   85.133  135.553   88.925   10.298   3.5318   11.140   3.6045 -0.8417072 5.046357 
1 1 1   19   21   20 o   11.902   2.8280  151.698   76.838  106.739   98.326  222.220  123.146   10.204   3.7632   13.600   4.2222 -3.395889 5.655910 
1 1 1   19   22    0 o   26.869   0.9019  701.078   46.984  655.323   65.430  749.789   67.511   25.964   1.2982   27.774   1.2522 -1.809923 1.803711 
1 1 1   19   22    1 o   22.041   1.0702  459.761   45.159  382.071   58.663  572.761   70.750   19.818   1.5249   24.265   1.5020 -4.447456 2.140423 
1 1 1   19   22    2 o   45.267   0.6874  1983.84   60.200  1910.35   81.312  2072.99   89.555   44.343   0.9446   46.190   0.9988 -1.846340 1.374742 
1 1 1   19   22    3 o   84.454   0.7993  6928.37  130.943  6826.51  181.124  7039.90  189.526   83.806   1.1134   85.102   1.1473 -1.296059 1.598673 
1 1 1   19   22    4 o   46.651   0.7065  2114.16   63.967  2092.93   89.371  2136.45   91.595   46.411   0.9920   46.890   1.0063 -0.4792099 1.413034 
1 1 1   19   22    5 o   76.933   0.7815  5752.67  116.592  5751.78  161.351  5753.64  168.665   76.929   1.0805   76.937   1.1293 -0.7659912E-02 1.562965 
1 1 1   19   22    6 o  117.863   1.0111 13522.67  231.178 13662.53  321.898 13373.70  332.217  118.499   1.3994  117.227   1.4599 1.271935 2.022289 
1 1 1   19   22    7 o   28.285   1.0132  782.913   55.298  832.149   75.810  726.931   80.838   29.245   1.3354   27.324   1.5241 1.921400 2.026351 
1 1 1   19   22    8 o   56.864   0.7251  3141.57   79.850  3114.03  109.021  3173.45  117.281   56.598   0.9923   57.130   1.0575 -0.5314140 1.450195 
1 1 1   19   22    9 o   81.958   0.8268  6539.40  131.403  6595.00  182.080  6478.96  189.825   82.327   1.1393   81.589   1.1985 0.7383575 1.653665 
1 1 1   19   22   10 o   38.727   0.8034  1458.43   60.206  1443.12   81.752  1476.56   88.999   38.509   1.0936   38.945   1.1773 -0.4355240 1.606841 
1 1 1   19   22   11 o   50.280   0.7790  2457.34   75.735  2417.97  102.281  2505.13  112.685   49.841   1.0572   50.719   1.1445 -0.8778801 1.558065 
1 1 1   19   22   12 o   8.2976   2.2764   43.703   52.429   29.796   70.771   60.619   78.054   7.7087   3.0961   8.8865   3.3379 -1.177757 4.552699 
1 1 1   19   22   13 o   18.493   1.4693  340.582   52.148  381.758   71.862  294.779   75.792   19.712   1.8780   17.275   2.2602 2.437336 2.938598 
1 1 1   19   22   14 o   45.564   0.8894  2021.88   77.792  2076.48  119.960  1982.26  102.191   46.072   1.3413   45.057   1.1684 1.014660 1.778851 
1 1 1   19   22   15 o   28.739   1.0504  803.730   58.169  753.024   76.882  871.622   88.962   27.701   1.4298   29.777   1.5391 -2.075743 2.100718 
1 1 1   19   22   16 o   8.7386   2.1139   62.065   51.121  125.721   65.498 -37.1509   81.771   10.900   3.0007   6.5771   2.9783 4.322946 4.227792 
1 1 1   19   22   17 o   17.948   1.8947  351.025   60.203  416.970   78.480  256.730   93.845   20.443   1.9776   15.453   3.2324 4.990294 3.789406 
1 1 1   19   22   18 o   22.795   1.3090  519.643   56.953  522.741   74.280  515.223   88.718   22.938   1.6682   22.652   2.0176 0.2860584 2.617926 
1 1 1   19   22   19 o   22.707   1.5625  521.101   68.625  563.131  102.496  486.952   92.389   23.515   2.2455   21.899   2.1734 1.615768 3.124998 
1 1 1   19   22   20 o   16.079   2.6060  294.170   78.450  268.275  101.251  333.065  124.090   15.323   3.4829   16.834   3.8773 -1.511417 5.211923 
1 1 1   19   23    0 o   32.049   0.7984  1000.61   49.553  1047.74   68.850  949.950   71.375   32.836   1.0802   31.262   1.1761 1.573412 1.596894 
1 1 1   19   23    1 o   87.284   0.8280  7403.91  140.264  7328.71  196.071  7482.73  200.737   86.831   1.1633   87.737   1.1786 -0.9059296 1.656004 
1 1 1   19   23    2 o   63.710   0.6918  3942.70   85.534  3899.19  119.293  3988.75  122.705   63.349   0.9701   64.071   0.9866 -0.7222176 1.383628 
1 1 1   19   23    3 o   55.555   0.6663  2997.40   71.828  3123.28  102.581  2876.32  100.609   56.699   0.9320   54.410   0.9526 2.288910 1.332673 
1 1 1   19   23    4 o   38.192   0.7254  1419.02   53.698  1502.34   75.768  1334.93   76.115   39.321   0.9926   37.063   1.0580 2.258385 1.450732 
1 1 1   19   23    5 o   37.687   0.7969  1379.31   58.154  1362.18   79.244  1399.30   85.609   37.436   1.0905   37.938   1.1625 -0.5028915 1.593879 
1 1 1   19   23    6 o   40.911   0.8055  1620.50   63.829  1522.90   86.874  1735.01   94.095   39.578   1.1308   42.243   1.1475 -2.665409 1.610995 
1 1 1   19   23    7 o   25.535   1.1117  635.134   55.077  608.002   77.403  662.960   78.388   24.982   1.5962   26.089   1.5478 -1.107553 2.223390 
1 1 1   19   23    8 o   33.475   0.8823  1085.84   57.059  945.384   78.147  1246.21   83.506   31.164   1.2918   35.787   1.2021 -4.623383 1.764577 
1 1 1   19   23    9 o   26.286   1.1158  682.858   56.156  751.510   76.099  600.778   83.209   27.769   1.4117   24.803   1.7282 2.965893 2.231552 
1 1 1   19   23   10 o   69.849   0.7761  4747.59  105.189  4710.75  146.517  4786.78  151.109   69.572   1.0849   70.126   1.1101 -0.5547180 1.552176 
1 1 1   19   23   11 o   34.046   0.9387  1123.92   61.828  1052.41   83.353  1211.40   92.190   32.852   1.3071   35.241   1.3476 -2.389046 1.877390 
1 1 1   19   23   12 f   50.322   0.7656  2468.16   74.753  2539.06  105.246  2395.98  106.195   51.056   1.0619   49.589   1.1032 1.466415 1.531254 
1 1 1   19   23   13 o   31.888   1.0614  991.218   65.449  1038.74   97.775  952.641   88.096   32.570   1.5465   31.207   1.4543 1.363091 2.122851 
1 1 1   19   23   14 o   53.397   0.7479  2786.02   77.164  2824.10  104.614  2740.57  114.277   53.813   1.0015   52.982   1.1111 0.8309250 1.495847 
1 1 1   19   23   15 o   23.609   1.2121  560.101   54.296  610.300   71.803  493.066   82.974   24.917   1.4845   22.302   1.9166 2.614498 2.424290 
1 1 1   19   23   16 o   40.143   0.8227  1577.99   64.018  1588.35   88.386  1566.56   92.851   40.292   1.1301   39.995   1.1959 0.2963905 1.645394 
1 1 1   19   23   17 o   9.6926   2.2649   87.730   54.763  150.339   75.767   19.243   79.244   11.789   3.2199   7.5960   3.1863 4.193191 4.529875 
1 1 1   19   23   18 o   10.720   2.2722  119.378   53.151   72.311   72.580  173.810   78.052   8.8430   3.2374   12.596   3.1890 -3.753216 4.544328 
1 1 1   19   23   19 f   28.551   1.2692  826.949   69.285  744.094  103.914  893.265   92.966   27.154   1.9714   29.948   1.5991 -2.793894 2.538427 
1 1 1   19   23   20 o   9.7789   2.7418   77.881   76.922   43.916   99.659  127.937  120.983   8.6047   3.5885   10.953   4.1464 -2.348444 5.483582 
1 1 1   19   24    0 o   39.926   0.7005  1553.21   54.131  1628.17   74.996  1471.68   78.212   40.937   0.9437   38.916   1.0353 2.020893 1.400919 
1 1 1   19   24    1 o   29.989   0.8319  868.065   48.254  791.537   65.144  961.101   71.828   28.535   1.1761   31.443   1.1768 -2.908169 1.663722 
1 1 1   19   24    2 o   45.762   0.6917  2039.62   61.263  2113.05   84.395  1957.83   89.072   46.637   0.9322   44.887   1.0222 1.749954 1.383488 
1 1 1   19   24    3 o   73.366   0.7461  5231.44  106.242  5270.25  149.228  5191.56  151.292   73.643   1.0439   73.089   1.0663 0.5538177 1.492250 
1 1 1   19   24    4 o   56.615   0.7095  3114.04   77.949  3088.19  108.664  3141.44  111.879   56.374   0.9930   56.856   1.0137 -0.4825859 1.419009 
1 1 1   19   24    5 o   61.163   0.7146  3635.50   84.817  3755.21  120.546  3518.13  119.363   62.161   0.9990   60.165   1.0220 1.996029 1.429163 
1 1 1   19   24    6 o   85.235   0.8115  7066.27  134.205  7139.58  187.666  6989.54  191.996   85.690   1.1282   84.780   1.1666 0.9103928 1.622921 
1 1 1   19   24    7 o   33.156   0.8869  1061.55   56.525  1014.76   74.228  1126.13   87.207   32.298   1.1840   34.014   1.3208 -1.716713 1.773741 
1 1 1   19   24    8 o   56.058   0.7292  3053.89   79.190  3020.19  108.281  3092.64  116.111   55.729   1.0009   56.386   1.0608 -0.6577644 1.458487 
1 1 1   19   24    9 o   7.6902   2.1775   29.454   49.373   35.541   67.671   22.525   72.197   7.7831   3.0593   7.5974   3.0995 0.1857543 4.355059 
1 1 1   19   24   10 o   11.168   2.2103  130.000   52.512  175.191   69.613   70.331   79.989   13.063   2.8273   9.2736   3.3981 3.789264 4.420506 
1 1 1   19   24   11 o   7.0951   2.0412   6.7185   47.748   55.872   65.496 -49.0395   69.758   8.3356   3.0718   5.8546   2.6889 2.480938 4.082404 
1 1 1   19   24   12 o   33.216   1.0206  1066.24   65.430  1224.54   98.515  941.302   87.521   35.398   1.4337   31.033   1.4529 4.365513 2.041140 
1 1 1   19   24   13 o   26.893   1.2348  713.561   64.146  640.636   91.458  784.165   89.991   25.516   1.8465   28.270   1.6398 -2.754736 2.469560 
1 1 1   19   24   14 o   19.806   1.3598  388.567   52.008  394.860   70.403  381.008   77.160   20.004   1.8131   19.609   2.0271 0.3942394 2.719615 
1 1 1   19   24   15 o   17.809   1.9925  335.565   60.919  349.404   73.562  305.358  108.682   18.739   2.0222   16.880   3.4338 1.859802 3.984985 
1 1 1   19   24   16 o   14.433   1.9329  217.082   52.586  229.893   70.995  201.512   78.273   15.101   2.4219   13.764   3.0131 1.336777 3.865795 
1 1 1   19   24   17 o   18.324   1.6687  350.145   57.291  395.469   75.475  288.524   88.003   19.886   1.9552   16.761   2.7047 3.124443 3.337415 
1 1 1   19   24   18 o   13.202   2.2381  197.228   57.643  243.308   77.116  138.884   86.774   15.140   2.7242   11.263   3.5519 3.876213 4.476268 
1 1 1   19   24   19 o   38.579   1.2135  1496.25   89.894  1535.82  119.732  1445.12  136.091   39.262   1.5710   37.896   1.8500 1.365780 2.427035 
1 1 1   19   25    0 o  111.801   1.0069 12159.23  218.506 12298.68  309.753 12021.11  308.282  112.440   1.4191  111.163   1.4286 1.277786 2.013704 
1 1 1   19   25    1 o   63.957   0.7061  3975.72   87.643  4034.22  123.041  3915.47  124.872   64.436   0.9837   63.478   1.0134 0.9575768 1.412299 
1 1 1   19   25    2 o   92.691   0.8442  8346.29  151.729  8228.53  209.130  8477.17  220.475   92.004   1.1710   93.378   1.2163 -1.373978 1.688379 
1 1 1   19   25    3 o   24.560   1.0334  578.695   48.890  496.060   65.113  685.488   74.022   22.577   1.4857   26.543   1.4367 -3.965233 2.066701 
1 1 1   19   25    4 o   52.215   0.7025  2648.49   71.052  2633.45   97.216  2665.73  104.102   52.058   0.9620   52.372   1.0240 -0.3140182 1.404996 
1 1 1   19   25    5 o   39.547   0.7867  1517.23   60.329  1441.76   83.085  1601.39   87.741   38.509   1.1115   40.585   1.1137 -2.075863 1.573426 
1 1 1   19   25    6 o   58.327   0.7343  3309.67   83.076  3387.01  116.238  3228.91  118.777   59.027   1.0145   57.628   1.0618 1.398457 1.468504 
1 1 1   19   25    7 o   17.416   1.4693  296.812   49.647  306.981   70.076  286.564   70.349   17.718   2.0374   17.114   2.1176 0.6044617 2.938639 
1 1 1   19   25    8 o   11.339   2.2204  125.729   53.449   66.572   73.390  192.548   77.998   8.9801   3.2603   13.698   3.0151 -4.717527 4.440809 
1 1 1   19   25    9 o   10.334   2.3078  105.783   52.145  121.095   68.825   85.150   79.893   10.907   3.1028   9.7598   3.4171 1.147572 4.615624 
1 1 1   19   25   10 o   29.347   1.0074  838.658   57.202  819.123   77.439  862.117   84.861   28.977   1.3767   29.717   1.4711 -0.7400074 2.014823 
1 1 1   19   25   11 o   28.143   1.0917  769.877   59.426  828.719   88.760  722.074   80.002   29.109   1.5708   27.178   1.5164 1.930336 2.183354 
1 1 1   19   25   12 o   22.390   1.2698  494.954   54.629  514.756   73.170  470.012   82.116   22.919   1.6446   21.861   1.9351 1.058792 2.539557 
1 1 1   19   25   13 o   37.437   0.8202  1363.43   59.498  1278.19   81.266  1461.90   87.347   36.181   1.1571   38.693   1.1629 -2.511597 1.640500 
1 1 1   19   25   14 o   8.2119   2.4216   25.504   57.823   23.918   67.332   29.957  112.858   7.3167   2.9901   9.1071   3.8101 -1.790437 4.843298 
1 1 1   19   25   15 o   22.792   1.2178  506.441   53.469  456.979   70.504  573.398   82.031   21.508   1.6887   24.076   1.7552 -2.567528 2.435652 
1 1 1   19   25   16 o   20.965   1.4901  456.817   58.138  554.226   78.398  337.790   86.661   23.655   1.7073   18.276   2.4428 5.378872 2.980275 
1 1 1   19   25   17 o   37.203   0.9194  1357.77   65.624  1333.57   86.123  1391.29  101.332   36.845   1.2041   37.560   1.3898 -0.7145576 1.838888 
1 1 1   19   25   18 o   8.8397   2.3694   68.322   56.375   84.908   73.687   44.911   87.544   9.2559   3.2781   8.4236   3.4221 0.8322916 4.738878 
1 1 1   19   25   19 o   10.871   2.6215  120.566   77.023  210.671  100.688  -6.5424  119.588   13.458   3.7267   8.2841   3.6879 5.173557 5.243035 
1 1 1   19   26    0 o   50.042   0.6696  2431.21   64.874  2408.50   88.399  2457.71   95.505   49.791   0.9146   50.294   0.9782 -0.5027161 1.339197 
1 1 1   19   26    1 o   49.145   0.6655  2350.25   63.360  2516.79   89.410  2182.26   89.800   50.898   0.9049   47.391   0.9761 3.506859 1.331077 
1 1 1   19   26    2 o   12.976   1.9025  163.892   48.380  275.985   73.165   76.798   64.493   16.812   2.2420   9.1402   3.0743 7.671474 3.804965 
1 1 1   19   26    3 o   29.396   0.8983  840.582   51.249  828.498   72.799  852.455   72.158   29.186   1.2850   29.606   1.2556 -0.4203625 1.796531 
1 1 1   19   26    4 o   14.437   1.7884  210.350   48.000  270.848   68.610  152.355   67.176   16.655   2.1222   12.220   2.8792 4.435107 3.576835 
1 1 1   19   26    5 o   59.406   0.7102  3430.37   81.864  3430.90  114.067  3429.81  117.558   59.412   0.9891   59.400   1.0195 0.1209641E-01 1.420456 
1 1 1   19   26    6 o   26.499   1.0606  702.504   52.690  771.728   68.440  601.767   82.561   28.160   1.2520   24.838   1.7124 3.322435 2.121278 
1 1 1   19   26    7 o   33.390   0.8834  1079.01   56.577  1045.36   73.995  1126.36   87.787   32.774   1.1631   34.006   1.3299 -1.232059 1.766705 
1 1 1   19   26    8 o   56.220   0.7105  3075.10   77.524  3137.03  109.373  3012.57  109.899   56.790   0.9921   55.649   1.0173 1.141045 1.421034 
1 1 1   19   26    9 o   40.249   0.7907  1571.89   61.641  1500.58   83.817  1655.90   90.970   39.260   1.0998   41.238   1.1364 -1.977657 1.581447 
1 1 1   19   26   10 o   36.582   0.9280  1308.63   64.810  1287.48  100.829  1323.52   84.603   36.313   1.4304   36.852   1.1827 -0.5392456 1.856003 
1 1 1   19   26   11 o   15.873   1.7986  254.403   52.651  258.400   67.675  248.275   83.802   16.194   2.1529   15.553   2.8818 0.6408100 3.597180 
1 1 1   19   26   12 o   80.954   0.8156  6393.22  128.107  6381.56  178.427  6405.63  184.046   80.884   1.1364   81.024   1.1702 -0.1402283 1.631172 
1 1 1   19   26   13 o   26.191   1.3167  664.895   62.417  644.136   75.165  711.009  112.027   25.619   1.5114   26.763   2.1564 -1.144415 2.633303 
1 1 1   19   26   14 o   12.401   2.2864  166.573   55.412  181.588   71.755  144.390   87.216   13.124   2.8943   11.677   3.5403 1.447149 4.572783 
1 1 1   19   26   15 o   17.435   1.6678  304.829   56.294  298.252   76.534  312.581   83.093   17.248   2.2859   17.621   2.4292 -0.3731384 3.335614 
1 1 1   19   26   16 o   29.170   1.0334  835.441   58.181  807.001   77.684  871.774   87.804   28.626   1.3980   29.713   1.5223 -1.086878 2.066828 
1 1 1   19   26   17 o   15.990   1.9013  266.645   57.451  264.032   77.420  269.847   85.705   16.068   2.4821   15.912   2.8807 0.1562529 3.802551 
1 1 1   19   26   18 o   18.328   1.8161  340.750   63.920  417.084   97.957  284.145   84.353   20.107   2.5097   16.550   2.6257 3.557158 3.632247 
1 1 1   19   26   19 o   9.7710   2.7782   75.817   79.921   48.099  104.178  115.464  124.594   8.8245   3.6736   10.717   4.1687 -1.893013 5.556401 
1 1 1   19   27    0 o   78.778   0.7798  6031.18  119.214  5992.86  166.533  6071.45  170.734   78.522   1.0926   79.033   1.1129 -0.5110855 1.559544 
1 1 1   19   27    1 o   44.267   0.6964  1904.41   59.706  1906.87   81.779  1901.61   87.372   44.300   0.9510   44.235   1.0175 0.6464767E-01 1.392733 
1 1 1   19   27    2 o   13.654   1.8145  188.128   46.116  186.681   62.059  189.911   68.913   13.615   2.4376   13.693   2.6886 -0.7742214E-01 3.629096 
1 1 1   19   27    3 o   69.559   0.7306  4703.01   98.620  4706.24  137.738  4699.61  141.267   69.585   1.0197   69.534   1.0466 0.5164337E-01 1.461221 
1 1 1   19   27    4 o   55.823   0.7038  3028.93   76.253  3108.52  108.193  2950.38  107.486   56.552   0.9856   55.094   1.0050 1.458824 1.407640 
1 1 1   19   27    5 o   20.663   1.2875  417.070   51.593  429.947   72.177  403.617   73.777   20.993   1.7712   20.334   1.8691 0.6589031 2.575041 
1 1 1   19   27    6 o   56.821   0.7131  3141.52   78.605  3251.79  110.799  3029.78  111.532   57.828   0.9870   55.815   1.0294 2.013535 1.426149 
1 1 1   19   27    7 o   24.075   1.1424  564.816   53.349  541.777   73.766  590.082   77.247   23.561   1.6129   24.589   1.6184 -1.027473 2.284845 
1 1 1   19   27    8 o   18.488   1.4689  338.532   51.911  358.454   68.988  312.530   78.816   19.140   1.8568   17.836   2.2765 1.304289 2.937713 
1 1 1   19   27    9 o   6.6911   2.0220 -42.4250   51.438 -116.0075   68.961   49.851   77.226   4.8339   2.3461   8.5483   3.2939 -3.714364 4.044040 
1 1 1   19   27   10 o   23.325   1.1526  529.121   51.970  498.273   69.724  567.683   77.957   22.569   1.5915   24.080   1.6677 -1.511497 2.305250 
1 1 1   19   27   11 o   25.437   1.1164  636.924   54.396  656.724   72.012  610.613   83.011   25.919   1.4313   24.954   1.7137 0.9650440 2.232754 
1 1 1   19   27   12 o   28.058   1.2537  801.065   62.568  847.056   76.049  704.714  110.073   29.429   1.3312   26.686   2.1249 2.743042 2.507417 
1 1 1   19   27   13 o   13.779   2.0635  202.221   53.973  237.671   71.859  156.338   81.752   15.417   2.4011   12.140   3.3566 3.276952 4.126960 
1 1 1   19   27   14 o   8.6758   2.1147   45.430   53.307  136.424   72.556 -61.2984   78.579   11.330   3.1728   6.0215   2.7967 5.308438 4.229481 
1 1 1   19   27   15 o   15.582   1.8435  254.670   53.280  293.749   72.616  209.100   78.416   17.127   2.1842   14.038   2.9704 3.089478 3.686991 
1 1 1   19   27   16 o   19.784   1.4170  394.315   53.861  331.316   76.146  457.394   76.195   18.142   2.1622   21.425   1.8321 -3.282579 2.833967 
1 1 1   19   27   17 o   8.7545   2.3392   66.687   54.339   68.147   74.374   65.015   79.583   8.7380   3.2629   8.7710   3.3526 -0.3297234E-01 4.678331 
1 1 1   19   27   18 o   10.233   2.7460   87.953   78.280   25.759  106.183  161.998  115.858   8.5031   3.6324   11.963   4.1191 -3.460000 5.491909 
1 1 1   19   27   19 o   25.809   1.7199  696.081   85.323  717.324  114.339  669.388  128.172   26.393   2.2317   25.226   2.6175 1.167803 3.439736 
1 1 1   19   28    0 o   51.201   0.6917  2549.97   68.670  2616.75   95.735  2479.20   98.556   51.894   0.9504   50.508   1.0052 1.385651 1.383338 
1 1 1   19   28    1 o   21.443   1.1379  448.094   47.134  451.075   63.701  444.486   70.067   21.525   1.5245   21.360   1.6898 0.1651249 2.275864 
1 1 1   19   28    2 o   10.748   2.0184  110.105   47.707   34.337   66.104  192.467   68.921   7.7107   3.0260   13.786   2.6719 -6.075288 4.036794 
1 1 1   19   28    3 o   58.774   0.7125  3356.99   81.238  3336.89  112.784  3378.65  117.115   58.592   0.9916   58.955   1.0234 -0.3626976 1.424970 
1 1 1   19   28    4 o   35.689   0.8085  1243.61   55.733  1295.74   76.110  1183.33   81.838   36.503   1.0741   34.875   1.2089 1.627968 1.617099 
1 1 1   19   28    5 o   12.134   1.9240  139.444   46.749   71.799   61.297  233.491   72.276   8.8418   2.9971   15.427   2.4135 -6.585035 3.848053 
1 1 1   19   28    6 o   25.614   1.0016  636.276   49.568  608.673   66.408  670.999   74.483   24.994   1.3688   26.235   1.4626 -1.241234 2.003138 
1 1 1   19   28    7 o   22.239   1.2071  479.621   51.686  457.025   68.209  510.092   79.208   21.635   1.6241   22.842   1.7863 -1.207321 2.414295 
1 1 1   19   28    8 o   49.994   0.7299  2429.99   70.596  2402.90   95.723  2462.30  104.534   49.694   0.9923   50.294   1.0707 -0.6001396 1.459846 
1 1 1   19   28    9 o   85.552   0.8352  7134.03  138.654  7170.81  193.870  7095.53  198.380   85.783   1.1642   85.321   1.1978 0.4614410 1.670372 
1 1 1   19   28   10 o   17.817   1.5069  318.128   50.669  340.094   65.884  286.329   79.272   18.618   1.8230   17.015   2.4000 1.602125 3.013853 
1 1 1   19   28   11 f   22.317   1.4208  500.791   55.199  514.313   65.534  467.769  102.410   22.925   1.4726   21.709   2.4302 1.215357 2.841544 
1 1 1   19   28   12 o   24.837   1.1422  597.950   54.402  556.593   70.696  657.997   85.186   23.814   1.5293   25.860   1.6970 -2.045511 2.284426 
1 1 1   19   28   13 o   18.915   1.5390  357.888   54.984  258.636   75.581  469.465   80.137   16.058   2.4247   21.772   1.8962 -5.713743 3.078101 
1 1 1   19   28   14 o   35.247   0.8546  1216.75   58.459  1253.83   83.036  1180.30   82.317   35.783   1.1954   34.711   1.2217 1.071877 1.709256 
1 1 1   19   28   15 o   41.320   0.8264  1674.27   66.209  1694.51   91.778  1652.31   95.607   41.592   1.1368   41.049   1.1998 0.5425072 1.652820 
1 1 1   19   28   16 o   8.0328   2.2438   31.114   54.679 -18.5772   74.991   87.523   79.899   6.5536   2.9188   9.5120   3.4087 -2.958405 4.487578 
1 1 1   19   28   17 o   19.451   1.5089  387.919   56.088  422.714   75.499  345.063   83.789   20.522   1.8952   18.380   2.3484 2.142056 3.017745 
1 1 1   19   28   18 o   24.857   1.6979  620.791   80.783  520.808  104.656  768.175  127.065   22.449   2.4016   27.264   2.4009 -4.815428 3.395865 
1 1 1   19   29    0 o   84.043   0.8135  6869.06  132.684  7030.35  187.364  6706.82  187.923   85.035   1.1351   83.051   1.1657 1.983566 1.627004 
1 1 1   19   29    1 o   23.409   1.0320  530.181   46.751  489.154   63.220  579.695   69.451   22.416   1.4529   24.402   1.4662 -1.985928 2.064088 
1 1 1   19   29    2 o   18.793   1.2614  344.589   45.904  346.979   62.878  341.862   67.172   18.866   1.7169   18.720   1.8485 0.1461906 2.522881 
1 1 1   19   29    3 o   14.329   1.7877  214.154   46.824  290.548   65.210  132.844   67.276   17.248   1.9477   11.409   2.9984 5.838794 3.575435 
1 1 1   19   29    4 o   38.472   0.7712  1440.19   57.564  1456.86   80.416  1422.67   82.438   38.702   1.0704   38.242   1.1105 0.4598274 1.542397 
1 1 1   19   29    5 o   13.003   1.9638  172.217   48.136  143.395   66.392  204.157   69.891   11.822   2.9121   14.184   2.6354 -2.361788 3.927594 
1 1 1   19   29    6 o   27.631   1.0383  743.685   55.330  736.949   73.991  752.231   83.338   27.497   1.3862   27.766   1.5462 -0.2692986 2.076617 
1 1 1   19   29    7 o   55.871   0.7128  3038.30   77.277  3097.15  108.638  2978.03  109.948   56.421   0.9919   55.321   1.0238 1.099972 1.425539 
1 1 1   19   29    8 o   19.568   1.4717  388.941   53.976  460.822   72.543  299.792   80.788   21.699   1.7222   17.436   2.3869 4.263508 2.943371 
1 1 1   19   29    9 o   28.197   1.0228  778.840   55.635  796.987   75.121  756.795   82.797   28.573   1.3544   27.821   1.5331 0.7522297 2.045671 
1 1 1   19   29   10 o   10.837   2.4046   91.173   56.423   41.708   68.217  198.296  100.388   7.9452   3.0862   13.728   3.6884 -5.783203 4.809237 
1 1 1   19   29   11 o   18.912   1.4067  351.167   51.500  327.228   69.770  379.823   76.335   18.210   1.9738   19.613   2.0050 -1.403748 2.813490 
1 1 1   19   29   12 o   15.701   1.8136  252.654   53.523  277.385   73.901  225.371   77.620   16.683   2.2820   14.719   2.8194 1.964176 3.627186 
1 1 1   19   29   13 o   8.4350   2.0936   43.651   49.657  123.322   70.526 -34.6772   69.929   10.816   3.1606   6.0543   2.7467 4.761267 4.187276 
1 1 1   19   29   14 o   8.7383   2.2874   64.045   51.477   49.666   69.473   81.551   76.654   8.1255   3.1261   9.3511   3.3401 -1.225643 4.574760 
1 1 1   19   29   15 o   10.150   2.2957  108.561   55.116  151.411   70.396   40.683   88.600   11.856   3.0433   8.4439   3.4379 3.412334 4.591411 
1 1 1   19   29   16 o   29.418   1.0739  861.189   60.903  900.908   82.688  814.092   90.041   30.204   1.4103   28.633   1.6200 1.570576 2.147859 
1 1 1   19   29   17 o   23.920   1.5255  594.743   68.696  508.450  105.743  657.759   90.362   22.229   2.4506   25.612   1.8175 -3.383289 3.051046 
1 1 1   19   29   18 o   23.828   1.8536  599.006   85.165  661.772  119.173  533.497  121.750   25.236   2.4328   22.421   2.7974 2.814478 3.707227 
1 1 1   19   30    0 o   47.672   0.6978  2207.22   64.520  2170.08   89.076  2248.22   93.580   47.252   0.9711   48.093   1.0024 -0.8410072 1.395662 
1 1 1   19   30    1 o   67.897   0.7356  4480.58   96.872  4447.65  134.042  4516.57  140.159   67.639   1.0209   68.156   1.0594 -0.5177917 1.471227 
1 1 1   19   30    2 o   75.583   0.7714  5556.65  113.139  5582.05  158.201  5530.07  161.868   75.762   1.0757   75.405   1.1059 0.3577881 1.542741 
1 1 1   19   30    3 o   75.444   0.7697  5533.22  112.578  5470.29  155.008  5603.48  163.772   74.994   1.0648   75.894   1.1116 -0.9002838 1.539322 
1 1 1   19   30    4 o   52.250   0.6925  2656.59   70.063  2679.48   95.995  2630.50  102.491   52.494   0.9420   52.005   1.0153 0.4895554 1.384988 
1 1 1   19   30    5 o   28.650   0.9536  800.375   52.425  803.220   69.176  796.536   80.354   28.719   1.2409   28.582   1.4483 0.1371136 1.907150 
1 1 1   19   30    6 o   27.703   0.9766  744.660   52.241  714.911   69.820  782.498   78.743   27.083   1.3281   28.324   1.4322 -1.241556 1.953162 
1 1 1   19   30    7 o   15.214   1.7989  224.937   51.274  185.955   66.330  282.816   80.824   13.496   2.6264   16.932   2.4590 -3.436477 3.597887 
1 1 1   19   30    8 o   17.462   1.4482  299.106   48.812  294.139   65.400  305.353   73.342   17.309   1.9465   17.614   2.1450 -0.3053570 2.896488 
1 1 1   19   30    9 o   48.932   0.9020  2361.40   78.821  2401.48   94.927  2272.42  141.444   49.661   0.9847   48.203   1.5116 1.458477 1.804070 
1 1 1   19   30   10 o   25.408   1.0311  627.142   50.607  547.770   68.634  721.709   74.915   23.654   1.4948   27.162   1.4208 -3.508307 2.062299 
1 1 1   19   30   11 o   22.344   1.2360  474.396   52.652  384.683   67.699  611.729   83.761   19.761   1.7648   24.927   1.7311 -5.165401 2.472079 
1 1 1   19   30   12 o   8.4575   2.1142   59.613   46.575  100.742   63.305   11.079   68.768   9.8867   3.0204   7.0283   2.9592 2.858362 4.228408 
1 1 1   19   30   13 f   22.070   1.2896  482.916   54.683  485.176   72.482  479.931   83.312   22.163   1.6848   21.977   1.9529 0.1856480 2.579162 
1 1 1   19   30   14 o   23.346   1.2405  536.061   55.928  500.377   74.612  581.824   84.495   22.478   1.7099   24.213   1.7977 -1.735104 2.481025 
1 1 1   19   30   15 o   12.957   2.2755  178.917   57.338  137.902   76.431  231.714   86.716   11.279   3.2886   14.636   3.1459 -3.356865 4.550988 
1 1 1   19   30   16 o   28.067   1.1168  786.284   60.452  830.534   82.533  735.067   88.794   28.966   1.4678   27.168   1.6837 1.798927 2.233670 
1 1 1   19   30   17 o   21.084   2.0005  475.210   80.316  532.053  108.860  407.304  118.983   22.686   2.4720   19.483   3.1460 3.202747 4.001051 
1 1 1   19   30   18 o   20.820   2.1333  469.553   85.652  495.550  117.351  439.914  125.300   21.583   2.8009   20.056   3.2184 1.527065 4.266521 
1 1 1   19   31    0 o   6.9935   2.0230   10.840   44.709 -16.5429   61.413   41.719   65.216   6.0888   2.6799   7.8983   3.0312 -1.809415 4.045958 
1 1 1   19   31    1 o   48.278   0.6967  2265.96   65.286  2249.35   91.653  2283.06   93.020   48.099   0.9816   48.458   0.9889 -0.3585091 1.393375 
1 1 1   19   31    2 o   55.208   0.7066  2964.08   75.712  2966.95  106.039  2961.09  108.137   55.237   0.9889   55.180   1.0095 0.5677414E-01 1.413223 
1 1 1   19   31    3 o   33.240   0.8430  1077.13   54.304  1110.78   75.434  1040.93   78.239   33.783   1.1503   32.697   1.2327 1.086090 1.685988 
1 1 1   19   31    4 o   14.148   1.8367  203.667   48.514  143.288   67.939  266.490   69.300   11.810   2.9672   16.486   2.1655 -4.675540 3.673379 
1 1 1   19   31    5 o   45.789   0.7395  2044.50   65.586  2130.93   91.116  1951.57   94.480   46.800   1.0030   44.778   1.0869 2.022175 1.478974 
1 1 1   19   31    6 o   17.680   1.4418  302.161   49.048  254.141   65.333  364.178   74.246   16.089   2.0919   19.271   1.9848 -3.181614 2.883648 
1 1 1   19   31    7 o   37.876   0.8061  1400.44   59.075  1436.64   81.009  1359.33   86.335   38.406   1.0866   37.345   1.1909 1.060707 1.612147 
1 1 1   19   31    8 o   19.504   2.1342  378.125   78.142  467.582  118.859  310.027  103.703   21.671   2.8255   17.337   3.1992 4.333475 4.268309 
1 1 1   19   31    9 o   8.8509   2.1925   70.613   47.095   86.716   63.051   50.292   70.829   9.3985   3.0345   8.3032   3.1655 1.095330 4.385049 
1 1 1   19   31   10 o   29.987   0.9426  874.755   54.216  849.286   70.923  910.564   84.094   29.481   1.2393   30.494   1.4206 -1.012836 1.885232 
1 1 1   19   31   11 o   40.220   0.7828  1585.34   60.868  1654.44   83.601  1507.39   88.794   41.170   1.0461   39.271   1.1648 1.898838 1.565589 
1 1 1   19   31   12 o   31.064   0.9555  938.205   57.221  797.802   77.246  1108.94   85.182   28.501   1.3962   33.627   1.3049 -5.126106 1.911097 
1 1 1   19   31   13 o   29.573   1.0211  863.384   58.112  887.722   77.922  832.885   87.227   30.072   1.3348   29.073   1.5456 0.9992428 2.042224 
1 1 1   19   31   14 o   16.998   1.7269  300.917   54.505  346.605   74.845  249.329   79.532   18.600   2.0729   15.396   2.7626 3.203864 3.453851 
1 1 1   19   31   15 o   16.348   1.7237  271.824   54.545  301.827   79.308  244.895   75.136   17.223   2.3722   15.474   2.5014 1.749041 3.447390 
1 1 1   19   31   16 o   44.174   0.8266  1917.92   70.824  2024.34  101.422  1816.63   98.944   45.378   1.1514   42.970   1.1862 2.407841 1.653103 
1 1 1   19   31   17 o   10.031   2.7294   89.065   79.086  146.059  106.832   19.957  117.638   11.393   3.9535   8.6696   3.7642 2.723242 5.458867 
1 1 1   19   32    0 o   59.975   0.6881  3498.65   79.961  3515.24  109.900  3479.99  116.556   60.130   0.9415   59.821   1.0037 0.3091621 1.376221 
1 1 1   19   32    1 o   21.409   1.1639  455.003   47.507  529.117   65.407  372.243   69.117   23.299   1.4462   19.518   1.8242 3.780991 2.327897 
1 1 1   19   32    2 o   57.951   0.6960  3270.68   78.172  3368.64  108.586  3165.28  112.629   58.857   0.9504   57.045   1.0171 1.812027 1.392051 
1 1 1   19   32    3 o   36.074   0.7638  1264.38   53.411  1231.50   73.292  1301.61   77.998   35.576   1.0613   36.572   1.0987 -0.9954567 1.527561 
1 1 1   19   32    4 o   37.397   0.7710  1359.34   55.917  1277.54   77.613  1447.63   80.631   36.228   1.1036   38.567   1.0770 -2.338982 1.542076 
1 1 1   19   32    5 o   23.423   1.1409  536.118   51.709  536.243   70.393  535.970   76.207   23.432   1.5476   23.413   1.6767 0.1862526E-01 2.281770 
1 1 1   19   32    6 o   16.533   1.5706  262.761   49.774  228.786   64.508  312.746   78.245   15.248   2.1793   17.819   2.2621 -2.570300 3.141144 
1 1 1   19   32    7 o   25.635   1.0901  642.307   53.892  639.675   72.153  645.628   81.051   25.587   1.4527   25.684   1.6257 -0.9727859E-01 2.180162 
1 1 1   19   32    8 o   10.160   2.2416  103.308   50.075  128.541   68.396   74.156   73.516   11.148   3.0652   9.1726   3.2715 1.975788 4.483109 
1 1 1   19   32    9 o   41.309   0.7826  1663.73   62.637  1651.31   85.829  1677.88   91.619   41.150   1.0745   41.468   1.1382 -0.3178902 1.565214 
1 1 1   19   32   10 o   27.565   1.0526  747.726   56.136  783.032   77.562  708.889   81.349   28.265   1.4136   26.865   1.5599 1.399822 2.105130 
1 1 1   19   32   11 o   17.338   1.5260  299.798   51.283  305.828   71.096  293.258   74.044   17.534   2.0888   17.142   2.2252 0.3921833 3.051957 
1 1 1   19   32   12 o   22.258   1.2715  490.316   53.926  489.467   69.909  491.563   84.738   22.276   1.6167   22.239   1.9629 0.3669167E-01 2.542960 
1 1 1   19   32   13 o   17.013   1.5745  286.540   51.571  242.565   68.857  342.722   77.830   15.532   2.2838   18.494   2.1679 -2.962003 3.148919 
1 1 1   19   32   14 o   19.214   1.4698  371.008   54.180  446.329   78.297  301.806   75.049   21.138   1.9082   17.291   2.2360 3.847225 2.939540 
1 1 1   19   32   15 o   25.509   1.1818  647.609   58.449  688.419   83.171  607.789   82.156   26.319   1.6279   24.698   1.7136 1.620455 2.363590 
1 1 1   19   32   16 o   36.672   1.1510  1342.78   79.416  1333.03  128.843  1348.76  100.851   36.441   1.8214   36.902   1.4079 -0.4610901 2.302082 
1 1 1   19   32   17 o   18.135   2.3902  362.142   81.596  278.746  109.346  466.936  122.573   15.465   3.6933   20.806   3.0349 -5.340950 4.780300 
1 1 1   19   33    0 o   33.234   0.7908  1076.36   50.924  1105.06   70.507  1045.07   73.631   33.701   1.0778   32.768   1.1576 0.9336052 1.581624 
1 1 1   19   33    1 o   43.685   0.7180  1854.31   60.816  1817.25   83.637  1895.89   88.590   43.224   0.9968   44.146   1.0338 -0.9217224 1.436086 
1 1 1   19   33    2 o   41.261   0.7245  1652.25   57.734  1617.23   77.471  1696.00   86.582   40.775   0.9788   41.748   1.0684 -0.9725914 1.448949 
1 1 1   19   33    3 o   54.902   0.6992  2935.27   74.369  2979.37  102.432  2886.11  108.149   55.343   0.9535   54.461   1.0230 0.8820610 1.398423 
1 1 1   19   33    4 o   16.294   1.7023  260.088   53.645  279.272   80.184  244.543   72.177   16.830   2.4544   15.758   2.3596 1.071853 3.404631 
1 1 1   19   33    5 o   54.639   0.7016  2903.78   74.136  2882.73  100.400  2929.02  109.937   54.428   0.9503   54.850   1.0325 -0.4223061 1.403263 
1 1 1   19   33    6 o   22.730   1.1592  510.792   50.284  537.955   66.434  474.355   76.943   23.465   1.4585   21.996   1.8021 1.468985 2.318337 
1 1 1   19   33    7 o   42.608   0.8446  1729.41   65.892  1651.93   79.948  1893.52  116.351   41.185   1.0000   44.030   1.3613 -2.845249 1.689119 
1 1 1   19   33    8 o   32.453   0.8489  1031.33   53.059  1057.68   71.264  998.547   79.482   32.932   1.1148   31.973   1.2806 0.9583340 1.697838 
1 1 1   19   33    9 f   30.948   0.9267  941.291   54.659  960.472   71.268  913.890   85.179   31.358   1.1708   30.539   1.4369 0.8187809 1.853467 
1 1 1   19   33   10 o   15.828   1.5715  250.133   48.021  255.553   65.080  243.655   71.149   16.040   2.0902   15.616   2.3472 0.4243698 3.142950 
1 1 1   19   33   11 o   40.944   0.8107  1635.53   63.916  1603.66   84.805  1677.43   97.248   40.503   1.0786   41.386   1.2105 -0.8828163 1.621353 
1 1 1   19   33   12 o   9.1154   2.0470   41.058   53.080 -74.8389   72.748  173.000   77.621   5.5191   2.6038   12.712   3.1594 -7.192625 4.094098 
1 1 1   19   33   13 o   12.589   2.1584  169.904   52.962  216.319   76.394  126.951   73.490   14.283   2.8552   10.895   3.2378 3.387603 4.316883 
1 1 1   19   33   14 o   14.740   1.9886  225.639   56.831   82.502   75.446  413.397   86.409   9.2551   3.3128   20.225   2.2009 -10.96967 3.977268 
1 1 1   19   33   15 o   30.343   1.0872  913.031   63.929  901.572   87.689  926.030   93.398   30.157   1.4980   30.529   1.5760 -0.3721008 2.174340 
1 1 1   19   33   16 o   28.163   1.6075  807.467   87.340  757.922  116.025  872.254  132.679   27.226   2.1954   29.100   2.3488 -1.874706 3.215037 
1 1 1   19   34    0 o   66.404   0.7203  4286.82   92.817  4163.03  129.234  4418.70  133.390   65.415   1.0177   67.393   1.0196 -1.978470 1.440633 
1 1 1   19   34    1 o   25.314   0.9783  629.253   47.719  693.131   66.141  559.909   68.913   26.672   1.2775   23.956   1.4819 2.715773 1.956534 
1 1 1   19   34    2 o   37.634   0.7551  1378.53   55.089  1476.10   78.614  1284.39   77.220   38.945   1.0399   36.323   1.0952 2.622295 1.510216 
1 1 1   19   34    3 o   52.171   0.7904  2672.07   78.728  2522.39  120.994  2781.97  103.677   50.876   1.2251   53.466   0.9989 -2.589764 1.580780 
1 1 1   19   34    4 o   44.252   0.7327  1908.60   62.731  1932.44   85.633  1880.99   92.156   44.557   0.9901   43.948   1.0802 0.6091270 1.465305 
1 1 1   19   34    5 f   6.2258   1.9795 -31.9066   49.581 -36.8546   65.873 -25.4406   75.304   5.8682   2.6636   6.5834   2.9290 -0.7151980 3.958978 
1 1 1   19   34    6 o   12.309   2.0406  158.750   50.307  212.289   68.580   96.382   74.020   14.647   2.4121   9.9716   3.2921 4.675072 4.081156 
1 1 1   19   34    7 o   22.152   1.2207  482.717   52.234  494.079   70.969  469.287   77.159   22.451   1.6285   21.854   1.8189 0.5971489 2.441338 
1 1 1   19   34    8 o   9.8153   2.1275   93.074   49.538  152.079   67.178   22.740   73.344   12.062   2.9039   7.5683   3.1100 4.493928 4.254940 
1 1 1   19   34    9 o   33.772   0.8643  1105.74   56.406  1010.00   75.576  1226.14   84.752   32.138   1.2114   35.405   1.2331 -3.267498 1.728645 
1 1 1   19   34   10 o   17.026   1.6515  287.810   54.315  263.717   72.555  318.524   81.920   16.231   2.3029   17.822   2.3679 -1.591457 3.303054 
1 1 1   19   34   11 o   24.140   1.2233  579.719   56.887  613.728   77.373  539.701   83.928   24.948   1.5977   23.332   1.8531 1.616003 2.446697 
1 1 1   19   34   12 o   38.909   0.8471  1484.50   63.943  1545.55   90.591  1423.89   90.268   39.714   1.1751   38.105   1.2204 1.609459 1.694156 
1 1 1   19   34   13 o   18.167   1.5702  323.927   54.277  247.628   71.090  430.561   84.043   15.632   2.3428   20.701   2.0914 -5.069499 3.140471 
1 1 1   19   34   14 o   11.164   2.3905  136.918   57.864  170.056   78.428   97.329   85.722   12.439   3.2221   9.8891   3.5321 2.549925 4.780993 
1 1 1   19   34   15 o   23.251   1.3511  544.035   60.970  534.358   85.238  554.174   87.247   23.042   1.9057   23.461   1.9158 -0.4189243 2.702203 
1 1 1   19   34   16 o   32.902   1.5262  1098.72   96.993  973.110  130.485  1253.84  144.999   30.800   2.1824   35.003   2.1340 -4.202942 3.052343 
1 1 1   19   35    0 o   60.003   0.7028  3503.79   81.765  3517.29  113.065  3488.99  118.383   60.128   0.9687   59.878   1.0185 0.2498894 1.405599 
1 1 1   19   35    1 o   39.033   0.7194  1477.88   54.165  1441.21   72.235  1524.97   81.867   38.487   0.9669   39.579   1.0656 -1.092239 1.438845 
1 1 1   19   35    2 o   23.778   1.1275  547.671   51.806  614.428   77.671  494.170   69.532   25.071   1.5959   22.485   1.5931 2.586699 2.254977 
1 1 1   19   35    3 o   13.150   1.8843  177.985   46.261  185.458   62.626  169.011   68.631   13.497   2.4817   12.803   2.8362 0.6943569 3.768631 
1 1 1   19   35    4 o   40.472   0.7439  1590.51   58.341  1470.05   80.212  1725.80   85.009   38.849   1.0636   42.096   1.0403 -3.247093 1.487815 
1 1 1   19   35    5 o   15.808   1.6807  249.428   49.456  192.176   67.382  316.284   72.815   13.696   2.6300   17.920   2.0932 -4.224024 3.361353 
1 1 1   19   35    6 o   36.437   0.8017  1290.80   56.529  1248.09   76.458  1342.31   83.954   35.779   1.1008   37.095   1.1659 -1.315815 1.603492 
1 1 1   19   35    7 o   16.604   1.6027  271.520   51.263  228.255   69.618  322.765   75.765   15.153   2.3667   18.055   2.1618 -2.901427 3.205413 
1 1 1   19   35    8 o   19.640   1.4662  399.987   53.165  498.478   71.860  280.882   79.023   22.512   1.6444   16.768   2.4278 5.743919 2.932334 
1 1 1   19   35    9 o   33.988   0.8874  1135.82   58.295  1224.60   81.195  1041.38   83.748   35.381   1.1822   32.595   1.3236 2.786362 1.774710 
1 1 1   19   35   10 o   14.766   1.8828  227.735   51.711  245.015   68.357  204.615   79.069   15.643   2.2511   13.890   3.0187 1.753215 3.765674 
1 1 1   19   35   11 f   15.620   1.7692  249.988   52.354  231.878   74.359  267.791   73.724   14.917   2.6658   16.323   2.3267 -1.406107 3.538382 
1 1 1   19   35   12 o   37.994   0.8429  1415.79   61.743  1412.54   82.599  1419.89   92.950   37.968   1.1207   38.020   1.2594 -0.5147934E-01 1.685858 
1 1 1   19   35   13 o   26.759   1.2031  715.650   62.147  759.242   85.368  666.499   90.648   27.671   1.5893   25.846   1.8067 1.824923 2.406274 
1 1 1   19   35   14 o   21.283   1.4062  455.659   58.044  430.370   80.718  482.740   83.529   20.663   2.0124   21.903   1.9646 -1.240210 2.812361 
1 1 1   19   35   15 o   12.924   2.7971  190.716   80.811  271.624  115.961  114.324  112.677   15.227   3.9046   10.621   4.0061 4.606018 5.594159 
1 1 1   19   35   16 o   22.618   2.0594  542.859   89.936  497.159  119.867  601.725  136.042   21.576   2.8619   23.660   2.9620 -2.084211 4.118767 
1 1 1   19   36    0 o   50.559   0.6747  2484.77   66.167  2426.50   91.334  2549.13   95.987   49.938   0.9422   51.181   0.9661 -1.243057 1.349499 
1 1 1   19   36    1 o   12.492   1.8944  152.758   46.738  250.492   70.836   77.407   62.198   15.943   2.2889   9.0409   3.0192 6.901959 3.788769 
1 1 1   19   36    2 o   50.374   0.6863  2471.92   66.838  2492.08   90.720  2447.99   98.847   50.605   0.9235   50.142   1.0155 0.4634018 1.372666 
1 1 1   19   36    3 o   22.406   1.1059  483.148   47.682  430.858   62.625  555.270   73.548   20.990   1.5370   23.822   1.5905 -2.832167 2.211784 
1 1 1   19   36    4 o   39.285   0.7577  1508.41   57.489  1556.13   78.230  1452.37   84.767   39.972   1.0082   38.599   1.1313 1.372868 1.515386 
1 1 1   19   36    5 o   63.749   0.7090  3960.90   87.660  4005.26  121.831  3913.27  126.225   64.125   0.9787   63.373   1.0261 0.7517624 1.418015 
1 1 1   19   36    6 o   14.380   1.8009  203.124   48.162  143.404   62.936  287.518   74.816   11.735   2.8016   17.026   2.2636 -5.291790 3.601833 
1 1 1   19   36    7 o   15.486   1.6439  236.728   48.376  228.570   61.913  249.517   77.514   15.183   2.1007   15.789   2.5291 -0.6057167 3.287752 
1 1 1   19   36    8 o   34.796   0.8189  1181.86   55.141  1160.41   74.778  1207.43   81.634   34.459   1.1179   35.133   1.1970 -0.6737671 1.637837 
1 1 1   19   36    9 o   18.761   1.4545  349.020   52.725  305.138   72.254  399.004   77.113   17.488   2.1284   20.034   1.9829 -2.545769 2.908969 
1 1 1   19   36   10 o   12.493   2.0928  166.322   50.400  199.750   71.297  132.931   71.257   13.800   2.7579   11.186   3.1485 2.614464 4.185569 
1 1 1   19   36   11 o   22.312   1.3080  495.033   56.554  494.153   77.742  496.022   82.423   22.306   1.7954   22.318   1.9026 -0.1103592E-01 2.615938 
1 1 1   19   36   12 o   22.429   1.3922  501.305   60.425  450.297   82.554  560.165   88.681   21.193   2.0067   23.666   1.9304 -2.472649 2.784452 
1 1 1   19   36   13 o   6.5840   2.0557 -21.3466   53.276 -64.9382   76.174   20.395   74.541   5.7810   2.7075   7.3870   3.0940 -1.606005 4.111361 
1 1 1   19   36   14 o   15.791   1.9871  272.089   57.972  196.775   83.670  341.625   80.397   13.294   3.2659   18.289   2.2646 -4.995240 3.974209 
1 1 1   19   36   15 o   7.6652   2.4574 -35.3619   79.509 -73.0268  109.285   6.9950  115.892   6.9625   3.2551   8.3678   3.6822 -1.405322 4.914730 
1 1 1   19   37    0 o   20.732   1.2090  419.291   48.556  448.040   71.531  394.723   66.125   21.387   1.7229   20.077   1.6967 1.310070 2.418092 
1 1 1   19   37    1 o   14.409   1.6335  209.603   44.213  229.339   60.773  187.413   64.440   15.270   2.0503   13.548   2.5436 1.721686 3.267048 
1 1 1   19   37    2 o   20.863   1.1771  426.916   47.526  434.323   65.065  418.443   69.588   21.066   1.5911   20.661   1.7351 0.4048996 2.354173 
1 1 1   19   37    3 f   28.299   0.8974  780.042   49.229  752.043   67.484  811.892   71.974   27.760   1.2523   28.839   1.2857 -1.079184 1.794804 
1 1 1   19   37    4 o   37.294   0.7743  1358.37   55.932  1398.16   77.287  1314.61   81.046   37.875   1.0512   36.713   1.1372 1.162212 1.548663 
1 1 1   19   37    5 o   16.924   1.4686  277.514   47.735  232.464   62.868  338.844   73.354   15.329   2.1127   18.519   2.0405 -3.189827 2.937193 
1 1 1   19   37    6 o   10.330   2.2382  109.644   49.311  120.392   68.195   97.866   71.388   10.752   3.0981   9.9076   3.2312 0.8445168 4.476483 
1 1 1   19   37    7 o   26.652   1.0603  690.236   54.550  622.367   72.715  777.599   82.499   25.173   1.4881   28.132   1.5107 -2.959633 2.120524 
1 1 1   19   37    8 o   15.950   1.6509  253.897   50.616  246.630   66.673  263.782   77.763   15.714   2.1858   16.187   2.4748 -0.4728985 3.301885 
1 1 1   19   37    9 o   29.278   0.9970  840.707   56.464  823.676   76.364  861.248   83.866   28.965   1.3582   29.592   1.4600 -0.6270351 1.994026 
1 1 1   19   37   10 o   48.125   0.7742  2266.24   72.287  2258.49  100.472  2274.55  104.083   48.047   1.0773   48.204   1.1123 -0.1578293 1.548460 
1 1 1   19   37   11 o   17.114   1.8523  307.859   58.819  342.689   79.352  265.386   87.627   18.439   2.2170   15.788   2.9681 2.650632 3.704676 
1 1 1   19   37   12 o   22.604   1.2492  510.294   54.687  526.328   75.636  492.729   79.163   23.001   1.6940   22.207   1.8364 0.7936668 2.498395 
1 1 1   19   37   13 o   19.200   1.5010  373.548   55.843  400.492   79.321  347.070   78.632   19.913   2.0521   18.487   2.1912 1.426115 3.002025 
1 1 1   19   37   14 o   9.9490   2.7309   88.332   76.468   55.698  107.187  122.156  109.124   9.1220   3.7553   10.776   3.9660 -1.654043 5.461810 
1 1 1   19   37   15 o   8.6561   2.7103  -3.7323   91.809   53.641  130.816 -59.4199  128.881   9.5391   4.0522   7.7732   3.6002 1.765879 5.420548 
1 1 1   19   38    0 o   17.121   1.3055  288.761   43.224  304.954   59.770  271.010   62.582   17.636   1.7459   16.606   1.9414 1.030239 2.610997 
1 1 1   19   38    1 o   53.400   0.6937  2776.81   71.844  2773.57   99.417  2780.36  103.940   53.372   0.9596   53.429   1.0022 -0.5759811E-01 1.387498 
1 1 1   19   38    2 o   49.424   0.7052  2376.18   67.402  2342.59   91.183  2416.64  100.080   49.046   0.9577   49.801   1.0352 -0.7551384 1.410313 
1 1 1   19   38    3 o   34.609   0.8162  1174.38   54.528  1241.11   74.725  1098.38   79.749   35.677   1.0790   33.540   1.2249 2.136467 1.632335 
1 1 1   19   38    4 o   20.839   1.1812  433.792   46.943  483.129   63.337  373.656   69.925   22.205   1.4694   19.474   1.8498 2.730951 2.362364 
1 1 1   19   38    5 o   48.908   0.7139  2333.49   67.746  2339.90   94.373  2326.66   97.309   48.982   0.9925   48.835   1.0265 0.1469841 1.427882 
1 1 1   19   38    6 o   49.776   0.7293  2421.54   70.322  2472.06   97.006  2365.58  102.089   50.334   0.9928   49.218   1.0685 1.116528 1.458589 
1 1 1   19   38    7 o   27.020   0.9996  717.663   52.372  755.814   74.040  679.458   74.092   27.748   1.3746   26.292   1.4517 1.455999 1.999230 
1 1 1   19   38    8 o   7.7178   2.0830   4.9450   51.556 -83.3206   70.807  104.546   75.216   5.2991   2.5202   10.137   3.3172 -4.837522 4.165974 
1 1 1   19   38    9 o   6.2814   1.9810 -28.4188   49.944 -59.6251   69.407   5.0931   71.925   5.5761   2.6027   6.9868   2.9872 -1.410659 3.961966 
1 1 1   19   38   10 o   27.848   1.0486  757.904   56.225  711.357   74.096  821.089   86.328   26.868   1.4207   28.827   1.5427 -1.959198 2.097197 
1 1 1   19   38   11 o   19.790   1.3832  389.312   52.788  332.441   71.587  457.094   78.152   18.195   2.0268   21.384   1.8827 -3.189337 2.766309 
1 1 1   19   38   12 o   21.832   1.3791  480.361   58.244  443.887   83.369  515.135   81.403   20.982   2.0469   22.682   1.8488 -1.699400 2.758233 
1 1 1   19   38   13 o   20.494   1.4979  428.094   59.345  459.452   82.705  394.813   85.203   21.320   1.9984   19.667   2.2318 1.653034 2.995715 
1 1 1   19   38   14 o   20.365   2.1951  453.772   83.854  525.247  119.403  384.217  117.788   22.268   2.7622   18.463   3.4123 3.805637 4.390158 
1 1 1   19   39    0 o   25.250   0.9352  620.889   45.642  602.933   61.383  643.093   68.257   24.849   1.2725   25.651   1.3708 -0.8019276 1.870411 
1 1 1   19   39    1 o   7.6789   2.1269   23.170   47.078 -10.6060   60.421   75.358   75.105   6.1251   2.6779   9.2326   3.3052 -3.107479 4.253891 
1 1 1   19   39    2 o   20.660   1.1882  427.020   46.709  476.769   62.766  365.271   69.926   22.063   1.4655   19.257   1.8706 2.806047 2.376322 
1 1 1   19   39    3 o   21.954   1.0999  468.497   46.525  437.943   61.445  509.552   71.226   21.132   1.4979   22.776   1.6110 -1.643929 2.199760 
1 1 1   19   39    4 o   20.284   1.2172  402.866   47.672  383.340   63.637  427.837   71.965   19.737   1.6609   20.831   1.7797 -1.093052 2.434376 
1 1 1   19   39    5 o   26.099   0.9757  665.304   49.311  630.680   66.924  706.425   72.935   25.364   1.3593   26.835   1.4001 -1.471750 1.951394 
1 1 1   19   39    6 o   15.286   1.8059  232.233   49.620  112.846   64.508  405.243   77.655   10.375   3.0201   20.196   1.9808 -9.820431 3.611706 
1 1 1   19   39    7 o   9.2852   2.1767   62.554   51.025  -2.7720   66.824  153.899   79.019   6.5788   2.8467   11.992   3.2937 -5.412810 4.353378 
1 1 1   19   39    8 o   10.413   2.1805  114.588   47.293  123.601   63.572  103.419   70.770   10.800   2.9493   10.026   3.2126 0.7731161 4.361063 
1 1 1   19   39    9 o   22.948   1.2284  527.099   54.132  564.771   73.217  481.679   80.395   23.904   1.5779   21.992   1.8832 1.912178 2.456836 
1 1 1   19   39   10 o   24.530   1.1839  594.893   56.219  538.512   76.956  659.419   82.327   23.280   1.7030   25.781   1.6451 -2.501177 2.367752 
1 1 1   19   39   11 o   15.481   1.9438  251.847   57.086  246.279   82.602  256.937   78.983   15.156   2.9135   15.807   2.5740 -0.6515207 3.887694 
1 1 1   19   39   12 o   20.677   1.4978  434.319   59.917  446.638   82.253  420.392   87.459   21.032   2.0146   20.322   2.2170 0.7101192 2.995625 
1 1 1   19   39   13 o   8.9897   2.6896   40.935   81.094   51.601  113.407   29.775  116.005   9.1693   3.8263   8.8101   3.7809 0.3592253 5.379230 
1 1 1   19   40    0 o   24.207   1.0699  583.693   48.156  609.509   60.801  540.239   78.883   24.974   1.2542   23.440   1.7337 1.534399 2.139744 
1 1 1   19   40    1 o   38.116   0.7293  1428.78   53.433  1526.56   72.349  1311.45   79.254   39.578   0.9417   36.654   1.1139 2.924164 1.458600 
1 1 1   19   40    2 f   55.804   0.6922  3040.69   74.802  3101.83  102.911  2972.22  108.915   56.410   0.9398   55.199   1.0165 1.211277 1.384363 
1 1 1   19   40    3 o   45.141   0.6985  1985.33   60.992  1959.23   82.589  2016.63   90.457   44.824   0.9492   45.459   1.0251 -0.6342392 1.397042 
1 1 1   19   40    4 o   9.7827   2.1433   98.015   45.873  121.353   62.764   71.252   67.211   10.746   2.9288   8.8195   3.1300 1.926489 4.286533 
1 1 1   19   40    5 f   25.252   1.0629  624.751   51.465  610.640   67.360  644.538   79.768   24.936   1.3916   25.569   1.6071 -0.6330338 2.125882 
1 1 1   19   40    6 o   39.247   0.7878  1502.75   59.934  1434.94   82.130  1580.00   87.660   38.305   1.1045   40.189   1.1236 -1.884216 1.575615 
1 1 1   19   40    7 o   11.100   2.2723  130.303   51.621  122.716   69.914  139.396   76.541   10.771   3.1466   11.429   3.2791 -0.6579857 4.544611 
1 1 1   19   40    8 o   12.758   2.1819  173.732   53.364  156.730   72.277  194.106   79.122   12.075   3.0752   13.441   3.0962 -1.365947 4.363867 
1 1 1   19   40    9 o   21.222   1.4295  458.857   57.718  543.065   80.048  367.668   83.300   23.364   1.7650   19.079   2.2491 4.284409 2.858983 
1 1 1   19   40   10 o   12.693   2.2029  176.312   56.422  251.641   80.364  103.087   79.234   15.389   2.7930   9.9977   3.4074 5.391583 4.405812 
1 1 1   19   40   11 o   15.959   2.0092  274.890   59.636  309.493   80.375  232.508   88.952   17.391   2.3809   14.527   3.2371 2.863450 4.018433 
1 1 1   19   40   12 o   22.002   1.7402  498.830   71.871  506.986  117.640  493.973   90.782   21.973   2.7580   22.032   2.1227 -0.5872345E-01 3.480316 
1 1 1   19   40   13 o   21.170   2.2085  486.172   90.463  482.416  123.070  490.587  133.423   21.172   2.9945   21.169   3.2469 0.3156662E-02 4.416939 
1 1 1   19   41    0 o   16.103   1.3618  253.445   41.737  190.968   56.075  331.050   62.495   13.878   2.0815   18.328   1.7566 -4.450104 2.723636 
1 1 1   19   41    1 o   13.508   1.7106  183.390   43.782  164.473   58.726  207.062   65.693   12.615   2.4866   14.402   2.3498 -1.787248 3.421265 
1 1 1   19   41    2 o   42.472   0.7079  1755.24   58.217  1693.00   79.021  1829.12   86.095   41.656   0.9772   43.287   1.0246 -1.631004 1.415899 
1 1 1   19   41    3 o   32.548   0.8384  1037.90   52.770  1051.35   71.838  1022.15   77.769   32.790   1.1286   32.307   1.2401 0.4833565 1.676773 
1 1 1   19   41    4 f   42.916   0.7462  1803.66   61.993  1860.08   85.385  1740.76   90.152   43.640   1.0079   42.192   1.1007 1.448235 1.492489 
1 1 1   19   41    5 o   68.547   0.7569  4591.22  100.657  4541.49  139.681  4644.94  145.180   68.168   1.0556   68.926   1.0851 -0.7585144 1.513819 
1 1 1   19   41    6 o   13.534   2.0109  188.091   52.273  136.001   70.524  251.599   77.872   11.297   3.1151   15.770   2.5438 -4.472862 4.021800 
1 1 1   19   41    7 o   20.742   1.3284  428.697   53.356  436.460   73.391  419.993   77.707   20.961   1.8037   20.522   1.9506 0.4390984 2.656737 
1 1 1   19   41    8 o   9.0458   2.3484   74.556   53.978   74.115   73.796   75.063   79.160   8.9697   3.2674   9.1220   3.3741 -0.1522512 4.696875 
1 1 1   19   41    9 o   18.270   1.5324  338.925   54.009  304.196   77.593  371.564   75.222   17.309   2.3093   19.231   2.0150 -1.922249 3.064789 
1 1 1   19   41   10 o   19.185   1.5057  371.301   55.745  362.537   74.546  382.420   83.964   18.966   2.0248   19.403   2.2292 -0.4372082 3.011498 
1 1 1   19   41   11 o   32.074   1.0361  1022.28   64.392  1056.68   89.479  985.331   92.737   32.660   1.4114   31.489   1.5172 1.171432 2.072131 
1 1 1   19   41   12 o   24.828   1.9091  649.719   92.001  653.426  131.237  646.137  129.010   24.885   2.7167   24.771   2.6830 0.1146793 3.818281 
1 1 1   19   42    0 o   34.049   0.7710  1128.07   50.855  1043.27   69.493  1225.85   74.620   32.676   1.0956   35.422   1.0852 -2.746243 1.542068 
1 1 1   19   42    1 o   31.719   0.8309  987.450   50.898  1019.28   69.255  950.070   75.055   32.291   1.1049   31.146   1.2414 1.144489 1.661852 
1 1 1   19   42    2 o   32.900   0.8044  1051.36   51.170  973.865   68.769  1147.49   76.591   31.555   1.1227   34.245   1.1522 -2.690504 1.608719 
1 1 1   19   42    3 o   23.689   1.0551  551.412   48.449  511.098   67.228  594.974   69.884   22.784   1.5201   24.595   1.4637 -1.811241 2.110236 
1 1 1   19   42    4 o   20.914   1.2307  437.352   49.141  464.157   65.195  402.087   74.780   21.706   1.5473   20.123   1.9143 1.582355 2.461475 
1 1 1   19   42    5 o   27.106   1.0420  720.840   54.700  686.254   74.339  761.674   80.776   26.406   1.4503   27.807   1.4965 -1.400751 2.083926 
1 1 1   19   42    6 o   12.657   2.1974  171.460   53.558  155.032   73.025  190.585   78.790   12.001   3.1094   13.312   3.1059 -1.310208 4.394858 
1 1 1   19   42    7 o   14.848   1.9464  241.973   52.985  298.618   70.659  169.198   80.089   17.238   2.1116   12.457   3.2704 4.781155 3.892872 
1 1 1   19   42    8 o   25.052   1.1263  622.451   54.361  622.825   72.613  621.973   81.994   25.094   1.4907   25.010   1.6889 0.8347321E-01 2.252666 
1 1 1   19   42    9 o   7.8183   2.2905   29.296   56.634   27.782   76.240   31.159   84.595   7.6309   3.1568   8.0058   3.3197 -0.3748603 4.581032 
1 1 1   19   42   10 o   11.096   2.4169  136.122   57.202  140.274   81.134  132.018   80.660   11.245   3.4158   10.947   3.4202 0.2982121 4.833791 
1 1 1   19   42   11 o   19.947   2.2015  435.794   82.308  388.920  119.923  477.539  113.172   18.603   3.4478   21.290   2.7384 -2.687227 4.402980 
1 1 1   19   42   12 o   19.512   2.4233  447.074   85.580  272.892  124.059  605.220  118.210   14.979   4.1322   24.045   2.5326 -9.065654 4.846568 
1 1 1   19   43    0 o   40.734   0.7113  1620.57   56.241  1625.55   79.444  1615.57   79.630   40.797   1.0031   40.671   1.0086 0.1267815 1.422540 
1 1 1   19   43    1 o   20.866   1.1054  430.194   44.622  466.824   62.764  392.757   63.452   21.782   1.4844   19.950   1.6385 1.832052 2.210891 
1 1 1   19   43    2 o   17.380   1.4294  300.871   48.185  306.464   67.197  294.951   69.131   17.557   1.9716   17.203   2.0701 0.3538284 2.858780 
1 1 1   19   43    3 o   35.026   0.8125  1200.32   54.871  1196.19   73.415  1205.56   82.593   34.975   1.0813   35.078   1.2130 -0.1028900 1.624995 
1 1 1   19   43    4 o   28.946   0.9513  817.320   53.251  735.922   71.979  915.740   79.148   27.363   1.3551   30.529   1.3355 -3.165991 1.902618 
1 1 1   19   43    5 o   31.568   0.9292  979.237   56.375  976.768   74.639  982.517   86.020   31.550   1.2187   31.587   1.4029 -0.3673172E-01 1.858345 
1 1 1   19   43    6 o   36.488   0.8534  1308.40   59.923  1316.23   79.842  1298.31   90.677   36.641   1.1225   36.334   1.2856 0.3067093 1.706729 
1 1 1   19   43    7 o   29.899   1.0184  892.721   58.306  959.743   78.320  809.395   87.327   31.222   1.2922   28.575   1.5743 2.647367 2.036765 
1 1 1   19   43    8 o   19.577   1.4808  388.271   55.339  304.265   76.818  478.899   79.789   17.294   2.2882   21.860   1.8803 -4.566267 2.961649 
1 1 1   19   43    9 o   18.830   1.6273  362.255   59.346  361.395   81.243  363.238   86.898   18.838   2.2217   18.822   2.3784 0.1641273E-01 3.254638 
1 1 1   19   43   10 o   13.919   2.4983  225.038   66.379  202.504  110.797  237.655   82.905   13.118   3.9932   14.719   3.0033 -1.600872 4.996539 
1 1 1   19   43   11 o   18.653   2.5255  396.319   89.212  366.295  129.654  423.316  122.943   17.628   3.8929   19.679   3.2184 -2.050900 5.051057 
1 1 1   19   44    0 f   29.001   1.3585  836.334   60.011  837.060   66.788  833.287  136.728   29.240   1.1767   28.762   2.4489 0.4776611 2.716935 
1 1 1   19   44    1 o   7.1702   2.2921 -14.0957   55.964   0.3757   61.785 -80.2224  132.074   6.4054   2.7544   7.9350   3.6644 -1.529593 4.584166 
1 1 1   19   44    2 o   26.472   0.9543  686.701   48.967  653.435   67.090  724.625   71.633   25.790   1.3401   27.154   1.3590 -1.363914 1.908612 
1 1 1   19   44    3 o   19.394   1.2923  374.519   48.159  378.950   63.986  368.729   73.143   19.561   1.6851   19.227   1.9597 0.3333187 2.584602 
1 1 1   19   44    4 o   39.094   0.7763  1507.68   58.355  1592.53   78.770  1404.48   86.877   40.350   1.0057   37.838   1.1828 2.512894 1.552543 
1 1 1   19   44    5 o   8.2240   2.2634   50.889   51.532   49.529   68.034   52.720   78.927   8.0099   3.0902   8.4381   3.3080 -0.4281702 4.526847 
1 1 1   19   44    6 o   13.912   2.0393  198.926   54.992  110.483   72.722  317.047   84.042   10.204   3.2552   17.619   2.4573 -7.414345 4.078571 
1 1 1   19   44    7 o   18.189   1.6000  336.073   56.449  354.550   80.779  318.438   78.915   18.690   2.2264   17.688   2.2984 1.002747 3.199938 
1 1 1   19   44    8 o   13.951   2.2244  213.322   58.719  199.303   80.218  229.505   86.185   13.456   3.1301   14.446   3.1612 -0.9899130 4.448712 
1 1 1   19   44    9 o   13.173   2.5198  179.130   63.793  275.484  111.854  132.679   77.662   15.425   3.7679   10.921   3.3469 4.503761 5.039679 
1 1 1   19   44   10 o   22.100   2.1598  524.303   88.457  680.947  132.232  397.432  119.004   25.407   2.6811   18.793   3.3867 6.614086 4.319522 
1 1 1   19   45    0 o   16.535   2.0852  242.544   55.644  207.921   62.389  377.187  123.033   14.388   2.2338   18.682   3.5217 -4.294536 4.170423 
1 1 1   19   45    1 o   31.010   1.2263  1004.88   61.028  1050.75   70.020  859.912  124.481   32.759   1.1011   29.260   2.1916 3.498833 2.452636 
1 1 1   19   45    2 o   19.232   2.2511  464.990   58.117  507.179   64.564  284.820  133.423   22.675   1.4668   15.788   4.2565 6.886843 4.502159 
1 1 1   19   45    3 o   50.848   0.7101  2529.97   69.824  2534.20   94.794  2524.96  103.238   50.912   0.9592   50.783   1.0473 0.1283264 1.420125 
1 1 1   19   45    4 o   20.989   1.2407  438.180   50.391  433.444   68.455  443.782   74.449   20.885   1.6886   21.093   1.8183 -0.2084179 2.481393 
1 1 1   19   45    5 o   9.4669   2.2363   85.997   53.827  143.037   71.872   13.141   81.228   11.454   3.1392   7.4799   3.1857 3.973917 4.472503 
1 1 1   19   45    6 o   17.721   1.6194  319.749   55.683  317.517   79.705  321.876   77.825   17.648   2.3267   17.795   2.2530 -0.1473827 3.238701 
1 1 1   19   45    7 o   10.517   2.4577  118.263   58.565  100.376   80.879  137.979   84.914   9.8608   3.4389   11.173   3.5122 -1.312139 4.915484 
1 1 1   19   45    8 o   8.6727   2.4598   55.761   63.449   4.5695  110.625   80.857   77.455   8.2236   3.6086   9.1218   3.3437 -0.8982630 4.919583 
1 1 1   19   45    9 o   36.370   1.3715  1341.56   96.793  1354.32  139.131  1329.59  134.746   36.519   1.9626   36.221   1.9164 0.2976151 2.743098 
1 1 1   19   46    0 o   11.545   2.6848   96.508   58.069   62.664   64.154  249.971  136.611   8.3515   3.0458   14.739   4.4223 -6.387960 5.369701 
1 1 1   19   46    1 o   6.7439   2.2305 -49.6129   56.926 -48.5554   63.510 -53.9345  128.391   5.4244   2.5177   8.0634   3.6826 -2.638948 4.460936 
1 1 1   19   46    2 o   16.843   2.2071  364.186   54.932  409.354   62.115  202.088  117.670   20.328   1.5741   13.358   4.1240 6.969928 4.414229 
1 1 1   19   46    3 o   26.352   1.5037  645.470   63.421  606.425   70.863  802.617  142.164   24.764   1.4741   27.939   2.6213 -3.174120 3.007370 
1 1 1   19   46    4 o   21.312   1.2587  455.243   51.694  518.165   73.256  392.833   72.957   22.826   1.6533   19.799   1.8983 3.027021 2.517334 
1 1 1   19   46    5 o   35.717   0.9124  1254.98   63.153  1212.19   86.353  1304.18   92.598   35.074   1.2683   36.361   1.3119 -1.287399 1.824760 
1 1 1   19   46    6 o   15.183   2.0562  249.379   58.873  283.289   81.131  211.663   85.563   16.558   2.5241   13.809   3.2467 2.749786 4.112434 
1 1 1   19   46    7 o   10.835   2.5501  105.410   65.715  216.387  107.368   38.936   83.098   13.599   3.8779   8.0703   3.3126 5.528361 5.100105 
1 1 1   19   46    8 o   10.673   2.8227  111.488   82.627   44.846  116.946  177.914  116.758   9.0745   3.8419   12.271   4.1365 -3.196725 5.645393 
1 1 1   19   47    0 o   18.850   2.2498  507.866   58.117  592.706   65.572  197.085  125.500   24.514   1.3779   13.185   4.2834 11.32934 4.499613 
1 1 1   19   47    1 o   26.333   1.4691  699.825   59.042  700.942   65.817  695.223  133.611   26.686   1.2705   25.980   2.6494 0.7064209 2.938279 
1 1 1   19   47    2 o   30.453   1.4241  960.541   65.951  979.352   73.792  885.868  147.021   31.560   1.2045   29.346   2.5809 2.214628 2.848140 
1 1 1   19   47    3 o   26.527   1.4176  677.679   62.378  650.197   71.038  770.223  130.360   25.640   1.4273   27.414   2.4497 -1.773653 2.835166 
1 1 1   19   47    4 o   20.529   2.3670  576.227   67.361  664.360   76.649  277.246  141.177   25.870   1.5263   15.188   4.4812 10.68170 4.734044 
1 1 1   19   47    5 o   8.0045   2.4752   8.1715   65.690   4.8326   76.793   17.279  126.830   7.0634   3.0540   8.9455   3.8962 -1.882071 4.950469 
1 1 1   19   47    6 o   26.363   1.5851  725.400   79.403  610.618  117.887  820.715  107.426   24.244   2.5049   28.482   1.9430 -4.238426 3.170159 
1 1 1   19   47    7 o   9.7390   2.7762   77.512   81.279   51.174  113.053  105.691  116.937   9.1009   3.8110   10.377   4.0380 -1.276156 5.552366 
1 1 1   19   48    0 f   12.266   2.6991  143.101   57.956  127.305   63.702  218.991  139.628   10.838   2.9492   13.694   4.5215 -2.855814 5.398291 
1 1 1   19   48    1 o   29.782   1.3747  878.473   62.223  870.547   69.078  912.570  143.275   29.749   1.1962   29.815   2.4755 -0.6593704E-01 2.749402 
1 1 1   19   48    2 o   21.427   1.6897  435.419   60.513  403.955   68.772  543.329  127.359   20.099   1.7627   22.756   2.8832 -2.657051 3.379331 
1 1 1   19   48    3 o   11.888   2.6075  165.090   62.270  179.636   69.581  106.582  139.548   12.862   2.8608   10.914   4.3603 1.947412 5.214999 
1 1 1   19   48    4 o   15.640   2.7330  281.846   81.924  261.106  108.493  309.362  124.963   15.045   3.7327   16.234   3.9931 -1.188430 5.466029 
1 1 1   19   48    5 o   9.0183   3.7167   54.784  105.138   54.784  105.138   0.0000   0.0000   9.0183   3.7167  ?   ?       ?      ? 
1 1 1   19   48    6 o   9.3656   3.7980   69.568  107.620   69.568  107.620   0.0000   0.0000   9.3656   3.7980  ?   ?       ?      ? 
1 1 1   19   49    0 o   12.344   2.3918  183.392   57.759  206.352   64.954   96.639  126.258   14.191   2.3580   10.497   4.1620 3.693352 4.783588 
1 1 1   19   49    1 o   10.023   2.7555   52.467   70.266   7.1835   81.145  188.197  140.484   7.2869   3.1450   12.760   4.5255 -5.472850 5.510999 
1 1 1   19   49    2 o   16.622   2.5318  313.026   72.691  317.357   85.127  301.363  139.679   17.501   2.5058   15.743   4.4000 1.757167 5.063506 
1 1 1   19   49    3 o   11.120   3.6738  138.727   92.177  138.727   92.177   0.0000   0.0000   11.120   3.6738  ?   ?       ?      ? 
1 1 1   19   49    4 o   13.964   3.8381  230.570  107.258  230.570  107.258   0.0000   0.0000   13.964   3.8381  ?   ?       ?      ? 
1 1 1   19   49    5 o   28.266   2.2220  822.324  121.919  822.324  121.919   0.0000   0.0000   28.266   2.2220  ?   ?       ?      ? 
1 1 1   19   50    0 f   20.463   2.1676  427.770   86.103  427.770   86.103   0.0000   0.0000   20.463   2.1676  ?   ?       ?      ? 
1 1 1   19   50    1 o   37.057   1.4426  1364.92  103.770  1364.92  103.770   0.0000   0.0000   37.057   1.4426  ?   ?       ?      ? 
1 1 1   19   50    2 f   13.129   3.5338  199.095   92.050  199.095   92.050   0.0000   0.0000   13.129   3.5338  ?   ?       ?      ? 
1 1 1   19   50    3 o   7.6200   3.2971   11.977   89.641   11.977   89.641   0.0000   0.0000   7.6200   3.2971  ?   ?       ?      ? 
1 1 1   19   51    0 o   9.4294   3.5103   88.209   85.949   88.209   85.949   0.0000   0.0000   9.4294   3.5103  ?   ?       ?      ? 
1 1 1   19   51    1 o   20.556   2.1137  432.560   84.342  432.560   84.342   0.0000   0.0000   20.556   2.1137  ?   ?       ?      ? 
1 1 1   20    0    0 o   31.871   9.2177  1453.49  583.536  1138.70  843.945  1741.83  807.733   27.366   13.402   36.377   12.659 -0.000000 0.000000 
1 1 1   20    0    1 o   68.079   0.9938  4506.52  131.174  4461.13  183.055  4554.42  188.063   67.727   1.3937   68.431   1.4171 -0.000000 0.000000 
1 1 1   20    0    2 o   16.253   2.3942  287.932   66.528  281.044   91.616  295.616   96.764   16.054   3.3328   16.452   3.4383 -0.000000 0.000000 
1 1 1   20    0    3 o  161.634   1.6446 25468.16  512.709 25761.66  690.791 25108.17  765.040  162.701   2.1881  160.567   2.4558 -0.000000 0.000000 
1 1 1   20    0    4 o   45.493   0.9915  2018.47   87.060  2044.25  118.708  1988.48  128.066   45.816   1.3373   45.169   1.4641 -0.000000 0.000000 
1 1 1   20    0    5 o   27.836   1.3085  742.419   68.596  666.241   87.137  866.559  111.236   26.008   1.7440   29.664   1.9511 -0.000000 0.000000 
1 1 1   20    0    6 o   12.789   3.1011  204.473   68.124  192.588   87.656  222.600  108.254   12.424   4.0934   13.155   4.6595 -0.000000 0.000000 
1 1 1   20    0    7 o   81.270   1.1340  6424.53  178.645  6346.07  247.948  6509.22  257.613   80.757   1.5830   81.784   1.6241 -0.000000 0.000000 
1 1 1   20    0    8 o   38.563   1.2255  1465.10   90.567  1569.47  123.591  1344.06  133.098   40.089   1.5939   37.037   1.8620 -0.000000 0.000000 
1 1 1   20    0    9 o  118.431   1.5114 13666.61  347.201 13781.99  490.658 13550.88  491.375  118.935   2.1268  117.928   2.1481 -0.000000 0.000000 
1 1 1   20    0   10 o   52.027   1.0911  2642.88  109.695  2707.24  150.976  2570.91  159.652   52.710   1.4782   51.344   1.6054 -0.000000 0.000000 
1 1 1   20    0   11 o   37.372   1.2283  1402.13   84.036  1487.26  105.456  1254.02  139.100   39.036   1.3957   35.709   2.0215 -0.000000 0.000000 
1 1 1   20    0   12 o   8.0716   3.2045   64.504   73.531   24.254   89.345  148.988  129.443   6.0541   3.7665   10.089   5.1855 -0.000000 0.000000 
1 1 1   20    0   13 o   30.981   1.5665  916.076   89.639  830.221  110.534  1081.01  153.202   28.973   1.9868   32.988   2.4224 -0.000000 0.000000 
1 1 1   20    0   14 o   66.423   1.1522  4305.44  146.164  4295.03  190.924  4320.18  227.186   66.359   1.4838   66.487   1.7631 -0.000000 0.000000 
1 1 1   20    0   15 o   5.3675   2.6000 -63.6467   81.380 -50.9653   99.362 -89.4873  141.837   4.9889   3.3898   5.7460   3.9432 -0.000000 0.000000 
1 1 1   20    0   16 o   36.778   1.3402  1336.42   91.211  1341.38  114.169  1327.68  151.655   36.960   1.5981   36.597   2.1518 -0.000000 0.000000 
1 1 1   20    0   17 o   7.8865   3.2099   83.945   79.981  107.182   98.465   38.878  137.126   8.4481   4.4739   7.3249   4.6043 -0.000000 0.000000 
1 1 1   20    0   18 o   11.871   3.0125  218.148   79.082  282.397   94.437   67.340  144.686   15.776   3.5316   7.9665   4.8813 -0.000000 0.000000 
1 1 1   20    0   19 o   22.765   2.5277  613.755   85.953  714.543  106.293  423.330  146.105   26.668   2.0825   18.861   4.6065 -0.000000 0.000000 
1 1 1   20    0   20 o   9.9817   3.1753  143.921   89.622  252.252  113.547 -35.0849  145.960   13.673   4.7411   6.2904   4.2252 -0.000000 0.000000 
1 1 1   20    0   21 f   18.309   3.3165  372.207  106.401  372.207  106.401   0.0000   0.0000   18.309   3.3165   18.309   3.3165 -0.000000 0.000000 
1 1 1   20    1    0 o   31.972   0.7989  993.119   49.582  995.141   70.277  991.114   69.963   32.005   1.1312   31.940   1.1284 0.6474304E-01 1.597777 
1 1 1   20    1    1 o  120.312   1.0065 14076.05  234.960 13882.16  335.686 14262.27  328.984  119.496   1.4471  121.128   1.3992 -1.631401 2.012925 
1 1 1   20    1    2 o   75.581   0.7267  5544.57  106.542  5436.52  147.271  5663.21  154.324   74.810   1.0141   76.352   1.0412 -1.541977 1.453485 
1 1 1   20    1    3 o   54.688   0.6749  2905.19   71.640  2835.45  100.989  2975.84  101.642   54.027   0.9629   55.349   0.9460 -1.322132 1.349877 
1 1 1   20    1    4 o   31.228   0.8643  945.397   52.327  1007.09   76.190  890.322   71.990   32.189   1.2193   30.266   1.2253 1.923754 1.728653 
1 1 1   20    1    5 o  106.406   0.9635 11007.72  199.012 11067.01  282.468 10949.28  280.433  106.690   1.3639  106.121   1.3613 0.5686646 1.927016 
1 1 1   20    1    6 o  115.092   1.0315 12884.79  230.455 12942.53  327.451 12828.12  324.395  115.346   1.4624  114.837   1.4552 0.5097046 2.063098 
1 1 1   20    1    7 o   84.922   0.8203  7010.33  135.203  7003.40  192.642  7017.06  189.802   84.879   1.1692   84.964   1.1508 -0.8472443E-01 1.640528 
1 1 1   20    1    8 o   72.437   0.7666  5099.75  107.776  5105.72  151.279  5093.60  153.583   72.481   1.0752   72.393   1.0929 0.8768463E-01 1.533127 
1 1 1   20    1    9 o   91.228   0.8766  8093.27  155.221  8072.10  217.676  8115.16  221.402   91.108   1.2308   91.348   1.2486 -0.2401352 1.753231 
1 1 1   20    1   10 o   59.619   0.7435  3452.72   86.010  3349.46  119.659  3563.11  123.716   58.698   1.0502   60.541   1.0527 -1.842922 1.486973 
1 1 1   20    1   11 o   21.299   1.3253  447.741   54.215  396.750   79.509  492.050   74.117   20.142   2.0335   22.457   1.7002 -2.314369 2.650647 
1 1 1   20    1   12 o   40.848   0.8211  1621.90   64.893  1596.73   87.934  1651.99   96.163   40.505   1.1184   41.192   1.2026 -0.6863823 1.642267 
1 1 1   20    1   13 o   64.902   0.7802  4103.30   98.227  4173.81  137.221  4029.20  140.670   65.478   1.0796   64.325   1.1266 1.152924 1.560334 
1 1 1   20    1   14 o   37.865   0.8789  1398.24   64.604  1403.62   91.521  1392.89   91.209   37.937   1.2428   37.792   1.2433 0.1453972 1.757898 
1 1 1   20    1   15 o   27.841   1.0892  759.041   58.662  678.044   81.934  844.226   84.025   26.307   1.6045   29.376   1.4735 -3.068800 2.178433 
1 1 1   20    1   16 o   18.540   1.7102  365.223   56.366  454.760   75.565  252.916   84.630   21.476   1.8126   15.604   2.9007 5.871234 3.420471 
1 1 1   20    1   17 o   26.964   1.0943  721.005   56.544  753.042   75.271  679.510   85.664   27.691   1.4003   26.236   1.6820 1.454512 2.188611 
1 1 1   20    1   18 o   24.874   1.2749  613.819   61.415  563.205   86.388  665.539   87.326   23.817   1.8685   25.931   1.7348 -2.113665 2.549719 
1 1 1   20    1   19 o   14.720   2.0775  232.426   56.979  221.371   85.042  241.432   76.754   14.302   3.1484   15.138   2.7115 -0.8359108 4.155087 
1 1 1   20    1   20 o   37.363   0.9315  1375.16   67.493  1338.81   92.928  1415.75   98.188   36.850   1.2991   37.877   1.3354 -1.027340 1.863067 
1 1 1   20    1   21 o   19.916   2.2083  430.666   82.995  376.117  115.171  489.595  119.706   18.355   3.3560   21.477   2.8713 -3.121555 4.416687 
1 1 1   20    2    0 o   35.931   0.7466  1254.31   52.067  1270.79   73.293  1237.52   73.979   36.169   1.0439   35.692   1.0678 0.4772263 1.493261 
1 1 1   20    2    1 o   55.540   0.6720  2995.82   72.447  3050.04  102.995  2942.72  101.924   56.038   0.9468   55.043   0.9539 0.9950371 1.344036 
1 1 1   20    2    2 o  110.544   0.9175 11874.13  196.713 11807.04  272.174 11947.51  284.634  110.220   1.2721  110.868   1.3226 -0.6477509 1.835040 
1 1 1   20    2    3 o   66.633   0.6895  4312.93   89.179  4271.21  125.799  4355.08  126.441   66.309   0.9773   66.957   0.9728 -0.6480865 1.378955 
1 1 1   20    2    4 o  121.850   1.0171 14442.61  240.358 14539.66  333.669 14337.93  346.531  122.281   1.4057  121.419   1.4702 0.8618240 2.034114 
1 1 1   20    2    5 o   52.029   0.7088  2627.83   71.544  2510.31   99.797  2752.08  102.617   50.832   1.0114   53.225   0.9932 -2.392521 1.417516 
1 1 1   20    2    6 o   39.863   0.7808  1544.30   60.423  1550.21   85.655  1538.44   85.248   39.939   1.1048   39.787   1.1038 0.1519432 1.561700 
1 1 1   20    2    7 o   69.945   0.7468  4754.46  101.386  4681.36  143.145  4828.04  143.619   69.405   1.0625   70.485   1.0497 -1.080048 1.493529 
1 1 1   20    2    8 o  122.179   1.0887 14526.48  258.199 14701.17  367.543 14356.28  362.800  122.904   1.5405  121.454   1.5388 1.449837 2.177446 
1 1 1   20    2    9 o   45.674   0.7901  2026.57   70.004  1993.17   96.852  2063.11  101.300   45.281   1.1019   46.067   1.1328 -0.7854996 1.580298 
1 1 1   20    2   10 f   36.248   0.8653  1278.24   60.879  1293.65   85.796  1262.62   86.399   36.469   1.2119   36.028   1.2354 0.4415207 1.730600 
1 1 1   20    2   11 o   52.178   0.7670  2646.25   77.651  2589.42  107.740  2707.67  112.015   51.597   1.0757   52.760   1.0937 -1.163086 1.534060 
1 1 1   20    2   12 o   33.720   0.9551  1108.88   62.460  1152.56   87.849  1064.23   88.823   34.395   1.3157   33.044   1.3847 1.350948 1.910145 
1 1 1   20    2   13 o   50.277   0.7612  2460.49   74.254  2470.42  106.731  2451.18  103.373   50.373   1.0915   50.181   1.0612 0.1922417 1.522356 
1 1 1   20    2   14 o   60.288   0.7616  3540.42   89.129  3574.18  126.345  3506.97  125.752   60.575   1.0745   60.001   1.0797 0.5732269 1.523217 
1 1 1   20    2   15 o   45.535   0.7927  2022.15   70.011  2031.91   97.228  2011.65  100.895   45.653   1.0971   45.416   1.1444 0.2369308 1.585371 
1 1 1   20    2   16 o   69.638   0.7984  4735.63  107.926  4784.11  153.414  4688.13  151.858   69.991   1.1292   69.285   1.1291 0.7055664 1.596842 
1 1 1   20    2   17 o   31.034   1.0087  948.441   60.588  912.242   88.081  980.952   83.473   30.454   1.4900   31.615   1.3602 -1.161022 2.017440 
1 1 1   20    2   18 o   16.651   1.9114  288.860   59.087  355.602   83.903  223.195   83.224   18.816   2.2971   14.486   3.0557 4.330160 3.822799 
1 1 1   20    2   19 o   40.748   0.8785  1626.52   69.317  1563.48   94.111  1701.27  102.480   39.898   1.2151   41.597   1.2692 -1.698730 1.757064 
1 1 1   20    2   20 o   22.062   1.4190  485.999   59.993  603.429   89.045  388.383   81.186   24.535   1.8697   19.589   2.1350 4.945820 2.837954 
1 1 1   20    2   21 o   9.0920   2.7357   35.411   86.939   81.687  110.493 -39.8016  140.864   9.7574   3.8857   8.4267   3.8519 1.330764 5.471365 
1 1 1   20    3    0 o  100.545   0.8739  9822.50  170.504  9788.36  237.900  9858.55  244.493  100.367   1.2211  100.723   1.2505 -0.3563919 1.747760 
1 1 1   20    3    1 o  113.158   0.9390 12451.41  205.837 12541.17  282.687 12350.11  300.306  113.598   1.2819  112.718   1.3725 0.8793182 1.878050 
1 1 1   20    3    2 o   84.900   0.7785  7000.97  128.286  6891.89  179.428  7115.04  183.489   84.224   1.0975   85.576   1.1046 -1.352119 1.557086 
1 1 1   20    3    3 o   44.622   0.8482  1886.98   68.706  1805.09   82.685  2069.65  123.489   43.106   0.9881   46.138   1.3788 -3.031685 1.696337 
1 1 1   20    3    4 o  100.752   0.9067  9867.49  177.319  9860.98  248.925  9874.18  252.652  100.719   1.2732  100.785   1.2914 -0.6518555E-01 1.813482 
1 1 1   20    3    5 o   73.023   0.7492  5177.03  106.147  5055.67  147.379  5307.84  153.008   72.135   1.0525   73.911   1.0664 -1.776085 1.498354 
1 1 1   20    3    6 o   35.055   0.9692  1193.06   63.934  1203.46  104.290  1186.79   80.923   35.169   1.5276   34.941   1.1931 0.2274094 1.938335 
1 1 1   20    3    7 o   8.7849   2.2019   54.897   51.357  108.960   71.096  -4.0976   74.268   10.512   3.1985   7.0580   3.0270 3.453648 4.403778 
1 1 1   20    3    8 o   79.572   0.7967  6154.40  123.062  6099.52  173.577  6209.87  174.499   79.216   1.1288   79.929   1.1247 -0.7137909 1.593435 
1 1 1   20    3    9 o   73.040   0.7754  5184.53  109.905  5131.69  153.353  5240.33  157.593   72.658   1.0873   73.421   1.1057 -0.7631531 1.550752 
1 1 1   20    3   10 o   32.318   0.9410  1015.67   58.607  1010.58   78.226  1022.20   88.484   32.230   1.2503   32.405   1.4066 -0.1747971 1.882001 
1 1 1   20    3   11 o   28.106   1.0606  773.607   57.308  799.510   76.700  740.873   86.224   28.650   1.3791   27.562   1.6116 1.088339 2.121135 
1 1 1   20    3   12 f   12.240   2.2291  153.590   52.989  158.195   80.172  150.018   70.610   12.401   3.2800   12.080   3.0195 0.3210831 4.458242 
1 1 1   20    3   13 o   58.575   0.7674  3340.90   87.232  3316.76  124.688  3364.04  122.084   58.365   1.1005   58.785   1.0699 -0.4196854 1.534858 
1 1 1   20    3   14 o   31.914   1.0153  995.119   62.886  1014.60   88.665  975.401   89.206   32.231   1.4172   31.597   1.4544 0.6339970 2.030679 
1 1 1   20    3   15 o   65.292   0.7912  4153.82  100.235  4272.12  144.225  4043.29  139.405   66.189   1.1225   64.394   1.1152 1.795151 1.582328 
1 1 1   20    3   16 o   18.797   1.6380  352.045   59.626  321.809   83.582  383.378   85.085   17.958   2.3977   19.636   2.2322 -1.678583 3.275935 
1 1 1   20    3   17 o   53.997   0.7870  2849.28   82.452  2917.27  118.762  2786.02  114.560   54.616   1.1202   53.378   1.1056 1.237492 1.573915 
1 1 1   20    3   18 o   32.278   0.9865  1025.54   61.588  919.306   86.488  1134.83   87.724   30.561   1.4579   33.995   1.3293 -3.433783 1.972955 
1 1 1   20    3   19 o   10.965   2.3032  123.863   57.737  197.996   81.482   49.108   81.823   13.502   3.1641   8.4277   3.3477 5.074289 4.606341 
1 1 1   20    3   20 o   17.321   1.9146  315.909   62.113  262.261   87.112  371.391   88.589   15.589   2.9875   19.053   2.3953 -3.464047 3.829208 
1 1 1   20    3   21 o   20.131   2.4228  536.982   77.788  662.991   94.100  265.038  138.238   25.616   1.8924   14.647   4.4608 10.96845 4.845582 
1 1 1   20    4    0 o  115.059   0.9693 12872.45  216.361 13010.74  301.521 12725.66  310.644  115.700   1.3425  114.418   1.3986 1.281357 1.938692 
1 1 1   20    4    1 o   82.739   0.7632  6649.88  122.571  6607.50  171.827  6693.78  174.898   82.471   1.0733   83.007   1.0854 -0.5358582 1.526489 
1 1 1   20    4    2 o  133.641   1.0393 17376.90  269.247 17589.60  372.598 17144.44  389.512  134.505   1.4270  132.778   1.5112 1.726776 2.078523 
1 1 1   20    4    3 o  101.369   0.8827  9990.22  173.563 10062.71  241.497  9912.78  249.616  101.752   1.2227  100.985   1.2734 0.7667313 1.765305 
1 1 1   20    4    4 o  106.606   0.9243 11050.59  191.131 11117.47  265.812 10978.99  275.025  106.943   1.2804  106.268   1.3332 0.6749878 1.848510 
1 1 1   20    4    5 o   53.919   0.6880  2824.01   71.990  2740.69  101.259  2909.17  102.369   53.115   0.9821   54.724   0.9637 -1.609142 1.375918 
1 1 1   20    4    6 o   72.437   0.7542  5098.02  106.031  5162.62  151.413  5035.85  148.530   72.887   1.0702   71.987   1.0629 0.8998947 1.508322 
1 1 1   20    4    7 o   57.454   0.7166  3204.08   79.858  3121.76  110.386  3294.48  115.671   56.681   1.0033   58.227   1.0234 -1.545502 1.433116 
1 1 1   20    4    8 f  110.498   1.0056 11878.07  215.691 11982.77  306.229 11774.98  303.849  110.981   1.4214  110.015   1.4228 0.9666977 2.011185 
1 1 1   20    4    9 o   47.139   0.7344  2159.96   67.187  2222.89   95.193  2097.49   94.840   47.824   1.0254   46.454   1.0517 1.370239 1.468871 
1 1 1   20    4   10 o   11.017   2.2710  107.883   56.361   35.996   75.631  197.664   84.521   8.1408   3.2233   13.893   3.1999 -5.752678 4.541958 
1 1 1   20    4   11 o   60.726   0.7403  3586.92   87.259  3634.69  123.120  3538.70  123.689   61.133   1.0375   60.318   1.0564 0.8148537 1.480651 
1 1 1   20    4   12 f   64.349   0.7548  4027.96   94.220  3998.13  130.696  4060.23  135.954   64.104   1.0503   64.595   1.0843 -0.4907303 1.509549 
1 1 1   20    4   13 o   40.822   0.8583  1623.86   67.913  1626.33   93.582  1621.11   98.709   40.859   1.1799   40.785   1.2468 0.7438278E-01 1.716566 
1 1 1   20    4   14 o   47.652   0.8106  2212.97   74.972  2205.45  105.253  2220.71  106.819   47.571   1.1398   47.733   1.1528 -0.1620216 1.621143 
1 1 1   20    4   15 f   52.778   0.7958  2714.52   81.492  2603.98  113.676  2831.39  116.886   51.672   1.1333   53.884   1.1175 -2.212669 1.591576 
1 1 1   20    4   16 o   32.385   1.0079  1028.08   63.202  1026.53   86.348  1029.87   92.757   32.370   1.3742   32.400   1.4748 -0.2991486E-01 2.015774 
1 1 1   20    4   17 o   39.001   0.8913  1488.94   67.411  1454.54   92.856  1527.27   98.021   38.531   1.2415   39.471   1.2793 -0.9400444 1.782676 
1 1 1   20    4   18 o   28.503   1.1322  802.583   62.349  704.641   87.068  905.669   89.325   26.693   1.6803   30.314   1.5180 -3.620840 2.264476 
1 1 1   20    4   19 o   17.256   1.7467  301.028   58.277  334.691   87.059  273.696   78.446   18.121   2.4749   16.390   2.4656 1.731276 3.493489 
1 1 1   20    4   20 o   9.1574   2.4034   77.793   57.011   86.253   77.977   68.078   83.564   9.3771   3.3667   8.9378   3.4309 0.4392796 4.806842 
1 1 1   20    4   21 o   8.5783   2.6661 -41.2362   87.817 -133.1763  112.109  104.755  141.270   6.3916   3.0747   10.765   4.3564 -4.373528 5.332188 
1 1 1   20    5    0 o   76.592   0.7377  5697.19  109.661  5836.12  156.385  5562.79  153.815   77.511   1.0394   75.673   1.0471 1.837273 1.475366 
1 1 1   20    5    1 o   70.671   0.7109  4848.80   97.500  4998.23  139.704  4706.92  136.137   71.732   1.0033   69.610   1.0075 2.121979 1.421836 
1 1 1   20    5    2 o   90.529   0.8239  7963.73  144.784  7966.14  204.360  7961.31  205.154   90.543   1.1627   90.515   1.1676 0.2790833E-01 1.647787 
1 1 1   20    5    3 o   27.589   0.9071  742.325   48.385  706.074   70.584  774.461   66.457   26.949   1.3493   28.228   1.2128 -1.279472 1.814219 
1 1 1   20    5    4 o  134.570   1.0930 17623.60  285.251 17828.16  396.425 17403.98  410.769  135.387   1.5084  133.752   1.5821 1.634445 2.185935 
1 1 1   20    5    5 o  134.074   1.0974 17489.86  285.300 17553.56  394.947 17420.34  412.581  134.336   1.5145  133.811   1.5884 0.5252533 2.194713 
1 1 1   20    5    6 o   87.852   0.8376  7502.48  142.845  7485.92  201.839  7519.09  202.189   87.754   1.1849   87.949   1.1843 -0.1943054 1.675255 
1 1 1   20    5    7 o   39.284   0.7792  1493.19   59.287  1618.52   87.271  1385.78   80.792   40.808   1.1017   37.760   1.1022 3.047939 1.558398 
1 1 1   20    5    8 o   26.522   1.1159  683.936   57.195  676.288   77.132  693.277   85.247   26.361   1.5073   26.683   1.6458 -0.3222008 2.231729 
1 1 1   20    5    9 o   63.181   0.7433  3874.86   91.061  3776.27  125.290  3985.26  132.579   62.332   1.0355   64.031   1.0666 -1.698883 1.486589 
1 1 1   20    5   10 o   24.397   1.1893  575.085   56.063  510.523   75.528  654.305   83.664   22.884   1.7002   25.909   1.6635 -3.025288 2.378643 
1 1 1   20    5   11 o   60.456   0.7443  3555.39   87.335  3577.99  122.586  3532.11  124.456   60.653   1.0412   60.260   1.0640 0.3928909 1.488644 
1 1 1   20    5   12 o   30.858   1.0092  933.025   59.961  970.315   80.837  887.411   89.405   31.557   1.3196   30.159   1.5271 1.397995 2.018305 
1 1 1   20    5   13 o   14.308   2.0315  224.947   55.979  340.162   76.423   91.560   82.228   18.610   2.1155   10.006   3.4687 8.603024 4.062964 
1 1 1   20    5   14 o   54.581   0.7650  2901.54   81.023  2879.09  112.886  2925.40  116.361   54.365   1.0697   54.796   1.0939 -0.4308777 1.530004 
1 1 1   20    5   15 o   32.929   0.9316  1057.86   59.432  1083.47   87.276  1035.71   81.156   33.295   1.3504   32.564   1.2839 0.7312622 1.863274 
1 1 1   20    5   16 o   39.856   0.8366  1553.24   64.694  1505.94   91.809  1599.90   91.177   39.248   1.2050   40.464   1.1608 -1.216454 1.673185 
1 1 1   20    5   17 o   27.945   1.1310  771.248   61.123  692.039   86.078  851.809   86.810   26.474   1.6750   29.416   1.5203 -2.941568 2.262018 
1 1 1   20    5   18 o   52.943   0.8021  2745.02   82.414  2801.75  116.133  2687.48  116.973   53.501   1.1182   52.386   1.1503 1.115211 1.604249 
1 1 1   20    5   19 f   10.539   2.4287  117.643   57.168  126.903   77.405  106.528   84.797   10.862   3.3434   10.215   3.5236 0.6471357 4.857334 
1 1 1   20    5   20 o   9.4547   2.4267   82.879   58.707  118.709   85.000   50.196   81.180   10.539   3.5295   8.3704   3.3315 2.168772 4.853432 
1 1 1   20    5   21 o   24.740   1.9120  658.032   85.750  688.845  106.068  599.899  145.689   25.978   2.1034   23.501   3.1935 2.476715 3.823961 
1 1 1   20    6    0 o  122.899   1.0279 14688.81  245.137 14951.37  344.517 14419.56  348.875  124.015   1.4311  121.783   1.4758 2.231720 2.055717 
1 1 1   20    6    1 o   46.632   0.6717  2111.65   60.738  2101.91   83.924  2122.37   88.016   46.520   0.9294   46.744   0.9700 -0.2244682 1.343359 
1 1 1   20    6    2 o  102.926   0.8995 10292.99  179.595 10195.25  249.035 10398.91  259.245  102.420   1.2526  103.433   1.2912 -1.013489 1.798928 
1 1 1   20    6    3 o   80.172   0.7632  6245.29  118.746  6248.79  166.123  6241.62  169.802   80.196   1.0671   80.148   1.0914 0.4798889E-01 1.526408 
1 1 1   20    6    4 o   43.895   0.7479  1872.67   63.693  1939.73   90.042  1805.50   90.110   44.682   1.0381   43.107   1.0769 1.575455 1.495760 
1 1 1   20    6    5 o   67.195   0.7266  4380.96   94.692  4259.43  130.519  4516.02  137.590   66.213   1.0155   68.176   1.0397 -1.963562 1.453290 
1 1 1   20    6    6 o   10.908   2.2262  119.392   51.149  152.652   70.144   81.623   74.746   12.239   2.9802   9.5761   3.3079 2.663063 4.452366 
1 1 1   20    6    7 f   93.307   0.8790  8464.77  159.213  8500.83  225.252  8428.76  225.071   93.506   1.2410   93.109   1.2453 0.3977890 1.758047 
1 1 1   20    6    8 o  150.444   1.3189 22057.04  385.141 21895.47  540.691 22223.46  548.742  149.887   1.8583  151.001   1.8721 -1.113846 2.637803 
1 1 1   20    6    9 o   64.002   0.7581  3981.21   94.075  3969.47  129.804  3994.21  136.534   63.905   1.0464   64.099   1.0973 -0.1942902 1.516228 
1 1 1   20    6   10 o   22.117   1.1990  477.135   51.442  456.832   72.788  497.396   72.713   21.645   1.7324   22.589   1.6582 -0.9449177 2.398098 
1 1 1   20    6   11 o   9.7288   2.4137   83.583   56.174   83.003   75.438   84.305   84.159   9.5989   3.3227   9.8588   3.5020 -0.2598934 4.827491 
1 1 1   20    6   12 o   33.477   0.9497  1094.88   61.429  1123.37   83.596  1061.43   90.568   33.959   1.2681   32.995   1.4140 0.9640274 1.899393 
1 1 1   20    6   13 o   33.987   0.9012  1124.14   59.379  1164.05   86.668  1088.83   81.517   34.553   1.2922   33.422   1.2565 1.130760 1.802327 
1 1 1   20    6   14 o   36.871   0.8786  1331.09   62.630  1247.15   90.793  1407.30   86.508   35.748   1.3084   37.994   1.1729 -2.246349 1.757168 
1 1 1   20    6   15 o   19.523   1.5376  377.053   56.651  501.348   83.179  269.515   77.370   22.569   1.8986   16.476   2.4191 6.092680 3.075166 
1 1 1   20    6   16 o   13.208   2.2056  186.150   55.746  160.683   82.434  207.610   75.673   12.311   3.3569   14.105   2.8617 -1.793424 4.411140 
1 1 1   20    6   17 o   29.052   1.0470  832.047   58.893  801.005   85.416  860.177   81.311   28.518   1.5430   29.586   1.4158 -1.068623 2.094074 
1 1 1   20    6   18 o   22.789   1.2264  514.151   54.217  540.363   77.655  489.221   75.731   23.361   1.7124   22.217   1.7560 1.144257 2.452772 
1 1 1   20    6   19 o   17.274   1.7737  305.685   59.191  337.402   83.516  273.674   83.902   18.227   2.3605   16.322   2.6481 1.904623 3.547408 
1 1 1   20    6   20 o   14.027   2.2221  212.283   61.726  132.160   84.747  302.816   90.085   10.990   3.5149   17.063   2.7197 -6.073167 4.444269 
1 1 1   20    6   21 o   27.916   1.6764  786.146   88.014  727.770  109.951  890.277  146.849   26.683   2.1228   29.150   2.5952 -2.467354 3.352779 
1 1 1   20    7    0 o   40.053   0.7927  1564.21   60.069  1533.26   95.915  1584.18   77.051   39.721   1.2439   40.385   0.9829 -0.6635780 1.585379 
1 1 1   20    7    1 o  109.700   0.9366 11692.94  199.236 11608.33  275.066 11786.32  288.972  109.285   1.2966  110.113   1.3519 -0.8279114 1.873201 
1 1 1   20    7    2 o  107.634   0.9517 11266.35  198.775 11441.63  278.763 11085.04  283.517  108.489   1.3237  106.779   1.3678 1.709648 1.903432 
1 1 1   20    7    3 o   66.804   0.7155  4336.94   92.762  4433.62  130.690  4238.78  131.687   67.555   0.9966   66.052   1.0270 1.502991 1.431086 
1 1 1   20    7    4 o   75.965   0.7516  5606.26  110.770  5593.18  153.894  5620.32  159.565   75.874   1.0449   76.055   1.0808 -0.1811981 1.503288 
1 1 1   20    7    5 o   71.147   0.7384  4919.12  101.955  5025.11  144.028  4812.66  144.345   71.916   1.0317   70.378   1.0566 1.538445 1.476744 
1 1 1   20    7    6 o   28.823   0.9956  810.515   55.489  840.557   76.079  776.370   81.109   29.399   1.3331   28.248   1.4792 1.151291 1.991282 
1 1 1   20    7    7 f   66.013   0.7427  4234.29   95.006  4226.34  130.494  4243.26  138.589   65.950   1.0193   66.077   1.0805 -0.1272049 1.485409 
1 1 1   20    7    8 o   44.209   0.7517  1898.74   64.471  1878.92   89.402  1920.23   93.060   43.969   1.0475   44.448   1.0786 -0.4789276 1.503480 
1 1 1   20    7    9 o   78.044   0.7999  5920.92  121.122  5892.63  168.576  5951.11  174.143   77.853   1.1155   78.235   1.1467 -0.3816757 1.599727 
1 1 1   20    7   10 o   29.946   0.9864  872.888   57.172  870.083   77.855  876.172   84.226   29.898   1.3415   29.995   1.4465 -0.9743118E-01 1.972830 
1 1 1   20    7   11 o   28.450   1.0260  774.466   55.966  701.882   72.557  881.087   87.939   26.839   1.3926   30.061   1.5070 -3.221836 2.051944 
1 1 1   20    7   12 o   21.296   1.3145  449.776   53.581  384.491   78.401  506.993   73.397   19.809   2.0389   22.783   1.6596 -2.974274 2.628989 
1 1 1   20    7   13 o   33.877   0.9351  1120.23   61.368  1031.43   86.374  1210.75   87.206   32.514   1.3685   35.239   1.2748 -2.725399 1.870291 
1 1 1   20    7   14 o   49.695   0.7922  2407.10   76.406  2466.51  108.061  2347.71  108.049   50.311   1.1065   49.079   1.1341 1.231495 1.584464 
1 1 1   20    7   15 o   16.367   1.8944  271.889   58.670  287.837   81.569  254.795   84.449   17.014   2.4697   15.720   2.8732 1.293633 3.788810 
1 1 1   20    7   16 o   26.854   1.1652  711.607   60.495  734.459   82.773  685.404   88.634   27.338   1.5598   26.371   1.7314 0.9666233 2.330407 
1 1 1   20    7   17 o   18.497   1.5733  343.749   56.006  355.010   75.283  329.792   83.811   18.878   2.0543   18.115   2.3834 0.7630215 3.146510 
1 1 1   20    7   18 o   29.329   1.0882  848.506   61.938  839.240   86.518  858.247   88.709   29.168   1.5280   29.490   1.5496 -0.3216915 2.176304 
1 1 1   20    7   19 o   33.856   0.9774  1130.51   64.230  1124.59   91.314  1136.30   90.364   33.764   1.3932   33.948   1.3712 -0.1839447 1.954814 
1 1 1   20    7   20 o   32.708   1.0059  1060.65   63.571  1078.90   86.343  1039.03   93.943   33.049   1.3459   32.366   1.4952 0.6823616 2.011728 
1 1 1   20    7   21 o   29.764   1.6319  901.156   92.515  848.020  118.510  984.063  148.032   28.796   2.1201   30.732   2.4814 -1.935841 3.263767 
1 1 1   20    8    0 o   50.953   0.6635  2521.30   65.616  2500.34   91.841  2543.15   93.780   50.737   0.9325   51.169   0.9441 -0.4320259 1.326996 
1 1 1   20    8    1 o   37.186   0.7090  1338.44   51.063  1273.44   69.423  1415.07   75.373   36.207   0.9878   38.166   1.0173 -1.959446 1.417974 
1 1 1   20    8    2 o   61.231   0.6822  3640.03   81.005  3598.35  111.881  3685.97  117.438   60.863   0.9470   61.598   0.9821 -0.7346725 1.364319 
1 1 1   20    8    3 o   98.502   0.8751  9430.49  167.263  9419.53  233.478  9442.04  239.737   98.445   1.2218   98.559   1.2531 -0.1139526 1.750107 
1 1 1   20    8    4 o   41.035   0.9275  1666.27   67.883  1561.63  121.284  1714.00   81.915   40.067   1.5594   42.003   1.0046 -1.936756 1.854999 
1 1 1   20    8    5 o   46.652   0.6929  2112.13   62.681  2256.61   90.164  1977.00   87.199   48.195   0.9638   45.109   0.9958 3.085983 1.385821 
1 1 1   20    8    6 o   51.513   0.7067  2582.27   70.531  2651.14   97.550  2506.83  102.095   52.236   0.9620   50.790   1.0355 1.445759 1.413446 
1 1 1   20    8    7 o   42.351   0.7774  1751.18   63.488  1824.80   86.099  1663.45   93.990   43.335   1.0235   41.367   1.1705 1.967621 1.554869 
1 1 1   20    8    8 o   31.152   0.9518  940.266   57.314  905.698   77.016  983.170   85.801   30.516   1.3002   31.789   1.3904 -1.273602 1.903600 
1 1 1   20    8    9 o   34.546   0.8178  1158.49   54.643  1138.72   73.920  1182.32   81.135   34.223   1.1127   34.868   1.1987 -0.6443062 1.635548 
1 1 1   20    8   10 o   58.718   0.7442  3354.86   84.731  3405.95  117.565  3299.65  122.226   59.187   1.0233   58.250   1.0809 0.9367828 1.488460 
1 1 1   20    8   11 o   21.170   1.2581  437.776   51.699  442.842   73.554  432.828   72.680   21.291   1.7796   21.049   1.7787 0.2420368 2.516155 
1 1 1   20    8   12 o   9.6437   2.2417   71.126   53.367   7.8615   71.488  150.760   80.205   7.1753   3.0189   12.112   3.3148 -4.936874 4.483494 
1 1 1   20    8   13 o   58.375   0.7660  3306.79   86.416  3201.55  116.119  3437.42  129.375   57.344   1.0431   59.405   1.1219 -2.060444 1.531946 
1 1 1   20    8   14 o   37.283   0.8801  1351.06   63.433  1304.72   85.316  1408.34   94.858   36.577   1.2016   37.988   1.2863 -1.411510 1.760260 
1 1 1   20    8   15 o   41.204   0.8244  1657.50   65.909  1669.81   91.999  1644.51   94.467   41.366   1.1457   41.043   1.1857 0.3224716 1.648810 
1 1 1   20    8   16 o   28.924   1.0449  829.745   57.629  873.333   75.992  770.748   88.409   29.862   1.3110   27.985   1.6274 1.876444 2.089766 
1 1 1   20    8   17 o   21.332   1.6611  433.471   66.834  360.344   83.350  565.158  111.850   18.967   2.2638   23.698   2.4315 -4.730120 3.322149 
1 1 1   20    8   18 o   9.8686   2.4425   95.420   57.693   95.421   79.828   95.418   83.474   9.8378   3.4173   9.8995   3.4908 -0.6168938E-01 4.885063 
1 1 1   20    8   19 o   18.381   1.6964  349.493   59.410  390.149   80.292  300.305   88.316   19.682   2.1016   17.080   2.6637 2.601343 3.392882 
1 1 1   20    8   20 o   34.788   0.9788  1195.41   65.899  1216.44   97.384  1177.64   89.505   35.047   1.4314   34.528   1.3354 0.5188026 1.957613 
1 1 1   20    8   21 o   8.8958   2.6201   44.088   78.220   91.853   96.540 -47.1886  133.455   9.7146   3.6975   8.0771   3.7131 1.637469 5.240139 
1 1 1   20    9    0 o   45.937   0.6395  2050.30   56.931  2062.08   78.360  2037.13   82.852   46.078   0.8761   45.797   0.9320 0.2815552 1.279085 
1 1 1   20    9    1 o  120.115   0.9990 14034.30  232.783 14251.85  325.254 13805.86  333.305  121.074   1.3839  119.156   1.4410 1.917931 1.997912 
1 1 1   20    9    2 o   30.056   0.8530  879.966   49.654  934.258   69.532  823.468   70.930   31.006   1.1552   29.106   1.2554 1.899691 1.706045 
1 1 1   20    9    3 o   39.210   0.7290  1493.78   55.485  1499.98   78.113  1487.46   78.826   39.293   1.0241   39.128   1.0378 0.1648064 1.458028 
1 1 1   20    9    4 o  100.248   0.8808  9762.44  171.203  9653.87  235.769  9883.54  249.008   99.662   1.2187  100.834   1.2722 -1.172226 1.761693 
1 1 1   20    9    5 o   70.596   0.7388  4832.80  101.041  4694.49  137.788  4993.69  148.611   69.508   1.0212   71.685   1.0680 -2.177086 1.477642 
1 1 1   20    9    6 o   49.167   0.7046  2345.27   67.164  2281.47   92.206  2417.38   98.030   48.457   0.9803   49.877   1.0125 -1.420643 1.409261 
1 1 1   20    9    7 o   64.223   0.7300  4007.12   90.997  3940.69  127.490  4076.10  129.922   63.680   1.0313   64.765   1.0334 -1.084743 1.460013 
1 1 1   20    9    8 o   22.624   1.3007  504.639   56.339  543.675   75.647  456.017   84.426   23.627   1.6494   21.621   2.0116 2.006329 2.601322 
1 1 1   20    9    9 o   10.792   2.2746  116.589   51.185  124.516   68.148  106.330   77.528   11.086   3.0644   10.498   3.3623 0.5874968 4.549295 
1 1 1   20    9   10 o   19.502   1.4370  368.767   54.182  334.697   72.918  410.768   80.961   18.504   2.0300   20.499   2.0346 -1.994955 2.874088 
1 1 1   20    9   11 o   64.666   0.7517  4068.18   94.346  4065.43  132.270  4071.03  134.613   64.645   1.0540   64.687   1.0720 -0.4197693E-01 1.503421 
1 1 1   20    9   12 o   37.147   0.8864  1345.50   63.609  1355.92   86.009  1332.91   94.503   37.313   1.1875   36.981   1.3164 0.3322601 1.772876 
1 1 1   20    9   13 o   65.269   0.7759  4145.85   98.178  4085.15  135.009  4213.97  143.028   64.767   1.0738   65.771   1.1203 -1.003479 1.551821 
1 1 1   20    9   14 o   44.322   0.7795  1914.86   67.021  1905.25   96.511  1923.82   93.142   44.211   1.1245   44.434   1.0799 -0.2222557 1.559072 
1 1 1   20    9   15 o   12.558   2.1578  163.500   52.062  189.618   77.456  141.975   70.315   13.464   3.0360   11.651   3.0670 1.812986 4.315568 
1 1 1   20    9   16 o   39.646   0.8443  1536.91   64.946  1550.04   93.552  1524.69   90.232   39.805   1.2107   39.487   1.1772 0.3183365 1.688673 
1 1 1   20    9   17 o   31.191   0.9835  961.894   59.136  879.347   86.306  1034.95   81.190   29.894   1.4872   32.487   1.2874 -2.592607 1.967087 
1 1 1   20    9   18 o   17.273   1.6366  300.142   54.697  268.210   75.534  335.347   79.311   16.288   2.3889   18.258   2.2378 -1.969549 3.273297 
1 1 1   20    9   19 o   62.042   0.8174  3778.30   98.421  3653.27  138.123  3907.26  140.277   60.993   1.1666   63.091   1.1454 -2.097813 1.634893 
1 1 1   20    9   20 o   25.471   1.3898  654.576   68.658  644.902   98.640  663.668   95.625   25.266   2.0112   25.676   1.9185 -0.4103642 2.779512 
1 1 1   20    9   21 o   13.728   2.9716  217.479   85.849  165.260  109.438  301.023  138.423   11.896   4.0047   15.559   4.3914 -3.663126 5.943225 
1 1 1   20   10    0 o   96.220   0.8731  8997.62  162.991  8987.91  226.718  9008.01  234.487   96.169   1.2145   96.272   1.2547 -0.1033401 1.746225 
1 1 1   20   10    1 o   28.174   0.8852  771.614   48.404  784.277   68.330  758.859   68.577   28.406   1.2392   27.941   1.2644 0.4649086 1.770346 
1 1 1   20   10    2 o   23.594   1.0107  541.842   46.244  561.855   64.878  521.173   65.932   24.038   1.3904   23.149   1.4672 0.8889885 2.021352 
1 1 1   20   10    3 o   26.443   0.9596  680.057   49.064  682.726   66.590  676.888   72.568   26.502   1.2944   26.384   1.4169 0.1175766 1.919149 
1 1 1   20   10    4 f   26.625   1.0530  696.328   53.583  734.399   71.032  646.059   81.621   27.484   1.3314   25.767   1.6319 1.717041 2.106085 
1 1 1   20   10    5 o   31.777   0.9187  989.565   56.091  1047.73   75.560  918.167   83.715   32.830   1.1856   30.723   1.4037 2.106424 1.837413 
1 1 1   20   10    6 o   35.967   0.8563  1256.71   59.399  1249.78   79.485  1265.47   89.389   35.858   1.1419   36.076   1.2765 -0.2178726 1.712696 
1 1 1   20   10    7 o   23.427   1.2124  533.226   55.039  514.186   75.197  555.196   80.775   22.979   1.6858   23.875   1.7429 -0.8960629 2.424795 
1 1 1   20   10    8 o   45.986   0.7460  2054.94   66.553  2041.14   92.319  2069.86   96.031   45.827   1.0378   46.146   1.0720 -0.3191147 1.492064 
1 1 1   20   10    9 o   25.077   1.1613  608.918   56.344  549.911   76.471  678.995   83.336   23.756   1.6583   26.399   1.6262 -2.643303 2.322642 
1 1 1   20   10   10 o   52.880   0.7287  2717.51   74.635  2694.36  101.981  2744.22  109.523   52.641   0.9980   53.119   1.0622 -0.4785767 1.457456 
1 1 1   20   10   11 o   46.202   0.7862  2083.43   70.225  2159.51   96.213  1996.68  102.735   47.114   1.0520   45.291   1.1685 1.823425 1.572331 
1 1 1   20   10   12 o   78.122   0.8122  5943.28  123.149  6077.27  174.447  5810.17  173.873   79.002   1.1375   77.242   1.1596 1.760452 1.624390 
1 1 1   20   10   13 o   80.498   0.8246  6314.20  128.848  6383.24  183.373  6246.88  181.087   80.932   1.1672   80.063   1.1652 0.8685608 1.649240 
1 1 1   20   10   14 o   53.174   0.7692  2755.31   79.372  2767.50  113.673  2743.72  110.878   53.287   1.0989   53.062   1.0765 0.2248993 1.538317 
1 1 1   20   10   15 o   35.740   0.8971  1249.31   62.114  1259.74   85.418  1237.61   90.485   35.907   1.2255   35.573   1.3104 0.3337479 1.794117 
1 1 1   20   10   16 o   42.955   0.8337  1805.14   69.498  1831.45   97.665  1778.16   98.918   43.277   1.1626   42.633   1.1953 0.6433296 1.667392 
1 1 1   20   10   17 o   24.873   1.1969  612.486   57.509  625.558   78.095  596.999   85.005   25.187   1.5973   24.558   1.7831 0.6290703 2.393897 
1 1 1   20   10   18 o   14.250   2.0786  215.042   55.359  229.582   82.957  203.368   74.330   14.662   3.0154   13.837   2.8617 0.8245449 4.157106 
1 1 1   20   10   19 o   26.285   1.1845  688.950   60.073  668.788   89.196  705.688   81.268   25.894   1.7745   26.677   1.5693 -0.7832069 2.368940 
1 1 1   20   10   20 o   9.3598   2.5709   75.723   66.788   77.125   98.363   74.523   90.974   9.4742   3.6988   9.2453   3.5716 0.2288828 5.141708 
1 1 1   20   10   21 o   20.999   2.3328  498.268   87.486  527.049  110.334  449.529  143.581   22.440   2.5330   19.559   3.9182 2.880589 4.665668 
1 1 1   20   11    0 o   37.885   0.7139  1393.89   52.490  1416.83   75.107  1371.99   73.387   38.189   1.0132   37.580   1.0060 0.6089439 1.427754 
1 1 1   20   11    1 o   19.742   1.1902  380.337   45.353  331.789   63.805  429.917   64.479   18.462   1.7804   21.022   1.5801 -2.560076 2.380435 
1 1 1   20   11    2 o   59.588   0.6900  3450.07   79.773  3474.87  111.301  3423.88  114.396   59.809   0.9587   59.367   0.9927 0.4423218 1.380011 
1 1 1   20   11    3 o   67.536   0.7118  4433.35   93.271  4540.45  130.936  4323.01  132.898   68.365   0.9866   66.706   1.0263 1.659546 1.423659 
1 1 1   20   11    4 o  101.995   0.9060 10106.17  179.213  9944.62  247.371 10284.63  259.991  101.141   1.2600  102.849   1.3022 -1.708786 1.812003 
1 1 1   20   11    5 o   61.369   0.7265  3661.31   86.452  3696.81  119.856  3622.81  124.818   61.681   1.0010   61.057   1.0531 0.6241989 1.452965 
1 1 1   20   11    6 o   31.873   0.9339  986.393   57.429  974.549   76.878  1001.35   86.385   31.660   1.2509   32.086   1.3870 -0.4259243 1.867739 
1 1 1   20   11    7 o   91.430   1.0716  8124.88  177.823  8104.93  215.960  8166.88  313.372   91.300   1.2185   91.560   1.7632 -0.2595749 2.143254 
1 1 1   20   11    8 o   76.394   0.7818  5674.43  115.911  5726.88  162.549  5620.17  165.331   76.755   1.0910   76.033   1.1202 0.7216721 1.563659 
1 1 1   20   11    9 o   23.907   1.1995  555.228   55.557  527.157   75.703  587.995   81.789   23.256   1.6769   24.559   1.7156 -1.302881 2.399060 
1 1 1   20   11   10 o   24.563   1.2025  603.015   55.927  688.751   75.129  496.450   83.759   26.586   1.4557   22.539   1.9144 4.047001 2.405009 
1 1 1   20   11   11 o   11.195   2.2235  129.423   52.696  172.840   70.570   74.705   79.225   12.982   2.8761   9.4080   3.3918 3.574060 4.447018 
1 1 1   20   11   12 o   30.635   0.9847  913.381   58.474  878.748   80.116  952.862   85.539   30.017   1.3750   31.253   1.4100 -1.236324 1.969385 
1 1 1   20   11   13 o   29.217   1.0371  839.628   58.087  874.503   77.288  794.361   88.055   29.936   1.3300   28.498   1.5918 1.437851 2.074285 
1 1 1   20   11   14 o   11.566   2.2455  140.006   54.715  191.863   74.503   79.289   80.617   13.612   2.9078   9.5188   3.4226 4.093647 4.491053 
1 1 1   20   11   15 o   32.639   0.9622  1051.32   60.373  1121.54   81.725  966.958   89.575   33.872   1.2429   31.407   1.4693 2.465086 1.924482 
1 1 1   20   11   16 o   53.105   0.7795  2756.89   80.242  2767.36  110.728  2745.29  116.446   53.222   1.0718   52.989   1.1321 0.2327156 1.558931 
1 1 1   20   11   17 o   26.800   1.1825  709.268   61.455  667.797   86.154  752.229   87.688   25.993   1.7075   27.607   1.6363 -1.614632 2.364922 
1 1 1   20   11   18 o   40.425   0.8800  1605.45   69.011  1622.42   96.141  1587.41   99.119   40.655   1.2182   40.194   1.2704 0.4608383 1.760089 
1 1 1   20   11   19 o   43.654   0.8665  1874.25   73.426  1848.32  103.202  1900.84  104.489   43.348   1.2265   43.961   1.2245 -0.6124382 1.733060 
1 1 1   20   11   20 f   37.228   1.3156  1394.29   93.623  1394.93  122.382  1393.38  145.373   37.354   1.6878   37.102   2.0185 0.2525978 2.631130 
1 1 1   20   11   21 o   18.151   2.4882  363.349   82.267  323.612  103.184  432.676  136.292   17.003   3.2446   19.299   3.7733 -2.296131 4.976477 
1 1 1   20   12    0 o   18.674   1.2663  339.244   45.885  326.948   64.075  352.186   65.739   18.326   1.8012   19.021   1.7804 -0.6948490 2.532626 
1 1 1   20   12    1 o   59.659   0.6809  3452.78   78.745  3371.72  108.117  3544.37  114.917   58.915   0.9454   60.403   0.9801 -1.487656 1.361724 
1 1 1   20   12    2 o   41.546   0.7289  1679.42   58.681  1731.11   81.451  1623.64   84.613   42.213   0.9940   40.879   1.0663 1.334126 1.457736 
1 1 1   20   12    3 o  105.108   0.9157 10738.70  186.713 10705.34  259.236 10774.66  269.147  104.942   1.2726  105.275   1.3170 -0.3334503 1.831399 
1 1 1   20   12    4 o   89.197   0.8263  7733.16  142.915  7726.96  197.467  7739.98  207.101   89.163   1.1409   89.231   1.1956 -0.6895447E-01 1.652633 
1 1 1   20   12    5 o   71.263   0.7372  4939.59  101.874  5056.30  141.876  4815.36  146.371   72.135   1.0132   70.391   1.0712 1.744446 1.474473 
1 1 1   20   12    6 o   84.274   0.8207  6899.44  134.198  6773.17  186.366  7035.43  193.398   83.475   1.1501   85.073   1.1711 -1.598412 1.641422 
1 1 1   20   12    7 f   53.701   0.7407  2812.77   76.707  2900.97  103.718  2706.28  113.965   54.639   0.9779   52.764   1.1127 1.874447 1.481318 
1 1 1   20   12    8 o   56.607   0.7454  3111.01   81.693  3065.32  111.170  3164.65  120.451   56.159   1.0198   57.056   1.0875 -0.8971024 1.490861 
1 1 1   20   12    9 o   28.282   1.0170  773.049   55.613  711.596   74.741  849.274   83.241   27.034   1.4243   29.531   1.4521 -2.497787 2.033965 
1 1 1   20   12   10 o   49.310   0.7480  2356.65   71.387  2261.91   96.589  2470.69  105.974   48.225   1.0318   50.396   1.0833 -2.171200 1.496027 
1 1 1   20   12   11 o   28.180   0.9958  775.352   54.388  736.005   77.635  813.278   76.218   27.472   1.4558   28.887   1.3592 -1.414917 1.991677 
1 1 1   20   12   12 o   41.912   0.8113  1717.77   65.653  1791.62   89.570  1632.03   96.514   42.898   1.0756   40.926   1.2149 1.972542 1.622614 
1 1 1   20   12   13 o   11.379   2.2759  125.970   54.685   73.265   73.224  192.437   82.230   9.1513   3.2649   13.607   3.1718 -4.455672 4.551883 
1 1 1   20   12   14 o   21.155   1.2739  436.440   51.835  417.680   68.216  462.072   79.736   20.634   1.7030   21.676   1.8950 -1.041569 2.547825 
1 1 1   20   12   15 o   43.715   0.7881  1863.01   66.822  1776.00   92.485  1958.04   96.655   42.648   1.1171   44.782   1.1119 -2.133709 1.576148 
1 1 1   20   12   16 o   32.320   0.9603  1026.75   60.081  997.273   87.515  1053.03   82.630   31.866   1.4148   32.775   1.2988 -0.9090176 1.920536 
1 1 1   20   12   17 o   6.3478   2.0431 -41.7065   55.403 -27.3496   79.481 -55.2752   77.268   6.6462   2.9791   6.0495   2.7969 0.5966702 4.086274 
1 1 1   20   12   18 o   13.861   2.1151  207.713   56.216  246.411   76.326  161.833   83.109   15.549   2.5287   12.173   3.3911 3.376393 4.230134 
1 1 1   20   12   19 o   7.6988   2.3239   13.767   61.539   25.728   84.634   0.3494   89.640   7.8833   3.2989   7.5142   3.2741 0.3690896 4.647835 
1 1 1   20   12   20 o   11.204   2.7540  141.232   77.246  182.888   93.699   52.856  136.478   12.640   3.6285   9.7688   4.1439 2.871143 5.507969 
1 1 1   20   13    0 o  100.029   0.8723  9726.60  169.299  9767.45  235.992  9683.28  243.011  100.248   1.2127   99.810   1.2543 0.4376297 1.744660 
1 1 1   20   13    1 o   39.601   0.7022  1523.52   53.977  1523.35   75.882  1523.70   76.796   39.599   0.9872   39.603   0.9989 -0.4127502E-02 1.404412 
1 1 1   20   13    2 o   60.325   0.6873  3530.07   80.427  3395.79  111.187  3677.45  116.479   59.124   0.9688   61.527   0.9753 -2.402802 1.374644 
1 1 1   20   13    3 o   64.001   0.7182  3977.95   89.061  3950.70  122.083  4008.96  130.212   63.769   0.9862   64.233   1.0443 -0.4647369 1.436395 
1 1 1   20   13    4 o   99.791   0.9048  9684.78  175.226  9799.99  246.277  9566.66  249.366  100.394   1.2637   99.187   1.2951 1.206810 1.809521 
1 1 1   20   13    5 o   89.839   0.8494  7848.76  147.924  7894.58  204.245  7798.21  214.526   90.119   1.1675   89.559   1.2340 0.5596542 1.698766 
1 1 1   20   13    6 o   45.707   0.7405  2033.72   65.482  2078.05   89.609  1982.92   95.923   46.245   0.9982   45.168   1.0940 1.076157 1.480982 
1 1 1   20   13    7 o   97.286   0.9103  9205.43  171.904  9207.34  241.904  9203.49  244.331   97.297   1.2808   97.275   1.2939 0.2241516E-01 1.820626 
1 1 1   20   13    8 o   38.744   0.8353  1458.68   62.720  1442.03   86.030  1477.57   91.635   38.510   1.1508   38.978   1.2111 -0.4678383 1.670686 
1 1 1   20   13    9 o   94.683   0.8997  8725.19  165.336  8752.34  232.344  8697.33  235.326   94.835   1.2621   94.532   1.2824 0.3025589 1.799304 
1 1 1   20   13   10 o   53.880   0.7368  2824.10   76.938  2827.82  105.921  2819.95  111.942   53.921   1.0120   53.839   1.0711 0.8182907E-01 1.473540 
1 1 1   20   13   11 o   32.452   0.9232  1022.04   58.016  967.980   78.765  1086.16   85.778   31.520   1.2873   33.385   1.3236 -1.865000 1.846387 
1 1 1   20   13   12 o   11.069   2.1437  123.390   54.678  206.526   73.624   21.139   81.651   14.206   2.7694   7.9326   3.2731 6.273249 4.287461 
1 1 1   20   13   13 o   15.650   1.7777  242.681   53.970  249.031   75.715  236.122   76.951   15.865   2.4586   15.435   2.5683 0.4300814 3.555431 
1 1 1   20   13   14 o   13.319   2.0083  183.407   50.430  218.078   72.920  151.623   69.818   14.577   2.6756   12.060   2.9957 2.516814 4.016595 
1 1 1   20   13   15 o   26.233   1.0673  675.801   54.322  686.468   75.973  664.643   77.704   26.451   1.4796   26.015   1.5387 0.4352894 2.134678 
1 1 1   20   13   16 o   33.531   0.9056  1102.19   58.942  1099.80   83.374  1104.58   83.340   33.494   1.2823   33.568   1.2790 -0.7344055E-01 1.811130 
1 1 1   20   13   17 o   24.870   1.1672  611.679   56.295  631.596   78.877  591.000   80.370   25.295   1.6064   24.445   1.6937 0.8492908 2.334347 
1 1 1   20   13   18 o   19.677   1.5103  385.818   57.407  437.719   86.056  344.204   77.058   20.861   2.1251   18.493   2.1466 2.368752 3.020560 
1 1 1   20   13   19 o   36.650   0.9099  1325.02   64.661  1291.27   92.890  1356.75   90.064   36.182   1.3226   37.119   1.2499 -0.9377861 1.819754 
1 1 1   20   13   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14    0 o   83.510   0.7762  6775.95  125.816  6882.12  178.684  6671.55  177.186   84.159   1.0938   82.861   1.1016 1.298134 1.552338 
1 1 1   20   14    1 o   30.958   0.8521  933.338   51.045  958.631   70.034  904.672   74.555   31.408   1.1487   30.508   1.2589 0.9004707 1.704213 
1 1 1   20   14    2 o   50.523   0.6921  2467.73   67.235  2396.41   88.584  2564.65  103.264   49.669   0.9188   51.377   1.0354 -1.708256 1.384268 
1 1 1   20   14    3 o   8.8416   2.2501   64.733   49.021   71.173   63.992   55.586   76.264   8.9180   3.0618   8.7652   3.2980 0.1528254 4.500138 
1 1 1   20   14    4 o   60.103   0.7181  3502.01   83.546  3407.60  113.354  3614.29  123.614   59.220   0.9861   60.985   1.0442 -1.765537 1.436188 
1 1 1   20   14    5 o   44.454   0.7610  1921.38   65.112  1926.93   86.679  1914.20   98.639   44.532   1.0027   44.377   1.1450 0.1548233 1.522032 
1 1 1   20   14    6 o   35.410   0.8835  1220.36   59.998  1226.68   79.070  1211.79   92.116   35.523   1.1467   35.296   1.3444 0.2266655 1.767026 
1 1 1   20   14    7 o   89.348   0.8568  7765.11  148.564  7869.41  208.393  7657.32  211.850   89.961   1.1933   88.735   1.2299 1.225594 1.713678 
1 1 1   20   14    8 o   80.692   0.8052  6331.13  126.115  6274.01  177.376  6389.53  179.347   80.324   1.1376   81.060   1.1398 -0.7358398 1.610345 
1 1 1   20   14    9 o   14.031   2.1278  202.719   56.929  234.434   76.234  162.736   85.595   15.453   2.5413   12.609   3.4135 2.844469 4.255599 
1 1 1   20   14   10 o   33.123   0.9096  1068.81   58.463  1081.23   81.923  1055.92   83.456   33.321   1.2666   32.925   1.3058 0.3958168 1.819133 
1 1 1   20   14   11 o   18.403   1.5313  328.363   54.368  292.814   72.338  374.514   82.421   17.273   2.1574   19.533   2.1738 -2.260012 3.062636 
1 1 1   20   14   12 o   25.655   1.1239  643.091   55.891  636.422   76.813  650.596   81.477   25.519   1.5506   25.792   1.6274 -0.2736053 2.247835 
1 1 1   20   14   13 o   8.0870   2.2260   40.182   50.724   60.877   73.404   21.267   70.174   8.7382   3.2458   7.4358   3.0472 1.302392 4.452016 
1 1 1   20   14   14 o   20.553   1.3706  415.573   54.369  409.883   72.876  422.715   81.647   20.410   1.8394   20.696   2.0323 -0.2859974 2.741131 
1 1 1   20   14   15 o   12.987   2.1607  181.889   53.672  209.266   71.236  145.940   81.629   14.212   2.6804   11.762   3.3897 2.449901 4.321403 
1 1 1   20   14   16 o   19.614   1.4731  384.453   55.356  389.963   73.003  377.000   84.910   19.824   1.8971   19.404   2.2542 0.4195213 2.946235 
1 1 1   20   14   17 o   17.865   1.8532  342.514   59.149  444.486   81.389  228.367   86.110   21.116   1.9855   14.614   3.1298 6.502569 3.706484 
1 1 1   20   14   18 f   8.9380   2.3154   61.806   57.405  121.275   79.130  -4.2631   83.405   10.665   3.3949   7.2106   3.1495 3.454846 4.630828 
1 1 1   20   14   19 o   33.697   1.0178  1121.08   66.484  1176.86   97.147  1071.94   91.181   34.478   1.4515   32.916   1.4270 1.562092 2.035517 
1 1 1   20   14   20 o   12.445   2.8393  180.849   76.715  182.053   96.414  178.772  126.651   12.536   3.7046   12.354   4.3036 0.1819963 5.678505 
1 1 1   20   15    0 o   64.025   0.6922  3984.05   85.986  4072.87  120.702  3892.54  122.524   64.751   0.9603   63.299   0.9971 1.451813 1.384355 
1 1 1   20   15    1 o   23.843   1.0668  563.664   48.427  644.518   65.845  468.394   71.474   25.748   1.3174   21.939   1.6783 3.809347 2.133601 
1 1 1   20   15    2 o   56.465   0.8010  3120.87   85.963  2984.10  134.536  3215.24  111.752   55.404   1.2509   57.526   1.0007 -2.122314 1.601972 
1 1 1   20   15    3 o   11.509   2.0515  135.992   48.800  200.146   67.617   66.247   70.502   14.093   2.5661   8.9256   3.2016 5.167819 4.103074 
1 1 1   20   15    4 o   12.332   2.0725  156.393   49.327  188.086   68.472  122.200   71.121   13.634   2.6828   11.030   3.1597 2.603493 4.145031 
1 1 1   20   15    5 o   43.515   0.7435  1840.11   62.761  1839.37   87.128  1840.92   90.481   43.507   1.0317   43.523   1.0710 -0.1627350E-01 1.487040 
1 1 1   20   15    6 o   61.454   0.7298  3670.44   86.932  3671.97  119.820  3668.74  126.319   61.470   1.0042   61.439   1.0592 0.3132248E-01 1.459504 
1 1 1   20   15    7 o   24.137   1.1634  576.446   53.317  619.042   70.149  518.179   82.044   25.220   1.4329   23.054   1.8333 2.165947 2.326811 
1 1 1   20   15    8 o   56.992   0.7327  3159.04   80.909  3178.55  111.243  3137.14  117.892   57.182   1.0022   56.802   1.0692 0.3797531 1.465446 
1 1 1   20   15    9 f   34.976   0.8808  1195.89   59.511  1258.71   81.667  1124.74   86.900   35.966   1.1698   33.986   1.3172 1.979507 1.761631 
1 1 1   20   15   10 o   49.083   0.7582  2337.90   72.082  2256.22   98.099  2433.75  106.270   48.157   1.0494   50.010   1.0947 -1.853565 1.516436 
1 1 1   20   15   11 o   22.561   1.2956  500.832   56.367  527.377   76.797  469.832   82.993   23.225   1.7034   21.897   1.9525 1.328619 2.591107 
1 1 1   20   15   12 o   17.088   1.5463  288.895   51.002  318.809   71.392  257.717   72.886   18.012   2.0419   16.165   2.3228 1.846735 3.092679 
1 1 1   20   15   13 o   14.656   1.9243  221.211   52.518  240.343   69.404  195.581   80.331   15.596   2.2925   13.715   3.0912 1.880934 3.848525 
1 1 1   20   15   14 o   27.674   1.0726  748.315   57.289  729.338   76.599  772.406   86.304   27.289   1.4460   28.058   1.5846 -0.7688866 2.145170 
1 1 1   20   15   15 o   48.668   0.7751  2313.75   73.140  2313.72  101.072  2313.79  105.972   48.675   1.0697   48.661   1.1219 0.1406097E-01 1.550116 
1 1 1   20   15   16 o   30.836   1.0228  937.190   61.049  975.809   84.432  894.877   88.377   31.521   1.3799   30.151   1.5100 1.370358 2.045508 
1 1 1   20   15   17 o   30.393   1.0161  907.105   59.536  888.125   79.320  931.595   90.100   30.052   1.3597   30.733   1.5103 -0.6800632 2.032177 
1 1 1   20   15   18 o   20.108   1.5717  408.889   61.334  410.895   85.969  406.810   87.532   20.168   2.1959   20.048   2.2492 0.1197910 3.143387 
1 1 1   20   15   19 o   39.866   0.9566  1570.20   74.019  1577.66  104.077  1562.57  105.289   39.967   1.3415   39.764   1.3640 0.2032471 1.913162 
1 1 1   20   15   20 o   13.642   2.8428  222.076   79.017  222.993   99.513  220.509  129.989   13.847   3.6503   13.436   4.3591 0.4113464 5.685619 
1 1 1   20   16    0 o   52.601   0.6679  2689.76   68.013  2717.06   93.092  2658.51   99.609   52.889   0.9067   52.312   0.9809 0.5763931 1.335802 
1 1 1   20   16    1 o   55.200   0.6739  2960.56   72.183  3058.26  102.301  2863.69  101.865   56.108   0.9393   54.293   0.9665 1.815567 1.347746 
1 1 1   20   16    2 o   39.843   0.7385  1540.57   57.022  1510.04   78.056  1575.51   83.501   39.421   1.0200   40.264   1.0683 -0.8432312 1.477095 
1 1 1   20   16    3 o  132.229   1.1106 17017.54  285.057 17016.33  400.693 17018.77  405.616  132.226   1.5611  132.231   1.5802 -0.4974365E-02 2.221283 
1 1 1   20   16    4 o   63.331   0.7232  3894.67   88.777  3849.89  121.926  3945.21  129.518   62.946   0.9979   63.716   1.0472 -0.7708817 1.446462 
1 1 1   20   16    5 o  100.323   0.8964  9791.21  174.463  9917.08  243.384  9658.18  250.215  100.991   1.2415   99.656   1.2934 1.334663 1.792845 
1 1 1   20   16    6 o   60.995   0.7184  3615.80   85.063  3635.23  120.239  3596.34  120.357   61.160   1.0128   60.831   1.0192 0.3284645 1.436865 
1 1 1   20   16    7 o   35.905   0.8625  1265.51   59.531  1374.21   81.169  1138.97   87.576   37.595   1.1122   34.215   1.3186 3.380703 1.725016 
1 1 1   20   16    8 o   86.263   0.8492  7239.98  142.182  7392.47  201.327  7088.24  200.826   87.171   1.1898   85.354   1.2121 1.816322 1.698436 
1 1 1   20   16    9 o   12.776   2.1283  167.720   52.042  187.446   73.759  148.164   73.441   13.535   2.8949   12.017   3.1205 1.517519 4.256531 
1 1 1   20   16   10 o   14.287   2.0345  210.562   54.634  237.781   72.613  175.048   82.942   15.551   2.4054   13.024   3.2820 2.527528 4.069085 
1 1 1   20   16   11 o   38.474   0.7995  1442.60   59.666  1477.77   83.420  1405.76   85.375   38.957   1.1031   37.990   1.1577 0.9671669 1.599099 
1 1 1   20   16   12 o   7.1486   2.1228 -10.1922   52.476 -59.6536   70.775   50.200   78.205   5.7219   2.6564   8.5752   3.3118 -2.853261 4.245551 
1 1 1   20   16   13 o   9.1646   2.2129   49.897   54.011 -25.2229   71.819  147.689   81.944   6.4019   2.8534   11.927   3.3831 -5.525524 4.425737 
1 1 1   20   16   14 o   27.986   1.0446  766.674   56.702  739.123   78.274  797.096   82.251   27.460   1.4684   28.513   1.4860 -1.053186 2.089159 
1 1 1   20   16   15 o   36.820   0.8344  1325.42   59.599  1394.65   85.306  1259.40   83.302   37.763   1.1637   35.878   1.1961 1.885399 1.668796 
1 1 1   20   16   16 o   26.926   1.0775  713.674   56.287  719.669   81.149  708.114   78.140   27.029   1.5466   26.822   1.5008 0.2063236 2.155076 
1 1 1   20   16   17 o   26.597   1.1133  702.258   57.209  641.072   82.214  759.699   79.659   25.441   1.6647   27.754   1.4786 -2.312868 2.226553 
1 1 1   20   16   18 o   9.1124   2.3894   75.759   56.169   70.698   83.059   80.025   76.248   9.0439   3.4327   9.1809   3.3247 -0.1370010 4.778837 
1 1 1   20   16   19 o   26.394   1.3189  700.356   67.230  694.288   99.931  705.372   90.868   26.242   1.9617   26.546   1.7634 -0.3038273 2.637759 
1 1 1   20   16   20 o   18.693   2.3223  370.131   80.871  301.023  102.448  484.396  131.734   16.329   3.3445   21.057   3.2228 -4.727785 4.644552 
1 1 1   20   17    0 o   52.480   0.6698  2672.21   68.155  2607.98   93.790  2744.07   99.208   51.814   0.9325   53.147   0.9616 -1.333218 1.339505 
1 1 1   20   17    1 o   10.703   2.1125  109.063   46.431   72.018   60.998  160.099   71.596   8.8719   2.9898   12.534   2.9852 -3.662606 4.224994 
1 1 1   20   17    2 o   27.065   0.9643  706.498   50.378  659.151   67.063  767.824   76.324   26.034   1.3270   28.095   1.3995 -2.061127 1.928591 
1 1 1   20   17    3 o   36.812   0.8347  1323.78   59.275  1388.98   80.733  1247.53   87.306   37.804   1.1001   35.820   1.2556 1.983925 1.669385 
1 1 1   20   17    4 o   56.588   0.7260  3114.86   79.550  3158.58  109.107  3065.25  116.231   57.015   0.9858   56.161   1.0662 0.8539581 1.452085 
1 1 1   20   17    5 o   46.456   1.0123  2154.71   84.973  1944.97  146.661  2260.70  104.255   44.687   1.6907   48.225   1.1137 -3.538300 2.024537 
1 1 1   20   17    6 o   43.616   0.7794  1843.03   65.829  1764.30   89.388  1936.33   97.308   42.603   1.0809   44.629   1.1232 -2.025963 1.558836 
1 1 1   20   17    7 o   63.675   0.7333  3938.49   90.608  4070.70  130.206  3814.35  126.167   64.710   1.0366   62.639   1.0376 2.070839 1.466660 
1 1 1   20   17    8 o   79.605   0.8110  6164.07  125.277  6135.36  174.696  6194.46  179.750   79.416   1.1332   79.793   1.1605 -0.3771286 1.621994 
1 1 1   20   17    9 o  109.438   1.0059 11670.13  213.652 11950.17  304.872 11399.87  299.499  110.729   1.4184  108.147   1.4266 2.582199 2.011736 
1 1 1   20   17   10 o   34.711   0.8980  1178.87   60.233  1282.23   84.152  1070.29   86.252   36.286   1.1947   33.137   1.3409 3.148617 1.795912 
1 1 1   20   17   11 o   22.742   1.2437  504.826   54.733  488.454   74.048  524.543   81.263   22.343   1.7073   23.142   1.8089 -0.7992496 2.487388 
1 1 1   20   17   12 o   18.363   1.5323  329.575   54.359  306.219   72.650  359.284   81.937   17.636   2.1222   19.091   2.2110 -1.455452 3.064631 
1 1 1   20   17   13 o   32.859   0.8975  1054.33   57.246  1052.05   80.929  1056.62   80.986   32.823   1.2702   32.895   1.2683 -0.7155228E-01 1.794950 
1 1 1   20   17   14 o   31.032   0.9230  942.125   55.590  930.432   77.626  954.435   79.646   30.836   1.2968   31.228   1.3139 -0.3918724 1.846079 
1 1 1   20   17   15 o   25.455   1.1085  632.480   54.512  581.717   72.870  696.988   82.145   24.311   1.5441   26.599   1.5909 -2.288469 2.217077 
1 1 1   20   17   16 o   35.924   0.9089  1263.23   63.301  1180.98   87.517  1353.47   91.670   34.696   1.2994   37.152   1.2711 -2.455944 1.817711 
1 1 1   20   17   17 o   25.283   1.2336  633.817   60.036  529.587   82.775  749.507   87.207   23.058   1.8493   27.508   1.6331 -4.450579 2.467220 
1 1 1   20   17   18 o   28.777   1.1303  822.992   62.859  921.980   89.763  727.739   88.054   30.510   1.5156   27.045   1.6772 3.464663 2.260594 
1 1 1   20   17   19 o   25.738   1.7222  704.900   82.557  803.173  108.442  569.422  127.326   28.197   1.9812   23.279   2.8176 4.917263 3.444419 
1 1 1   20   17   20 o   8.4707   2.5970   20.320   79.258   44.036  103.631 -13.1037  123.024   8.7076   3.6477   8.2337   3.6975 0.4739466 5.193917 
1 1 1   20   18    0 o   56.625   0.6795  3118.53   74.444  3157.90  101.570  3072.83  109.427   57.014   0.9177   56.236   1.0024 0.7782402 1.359070 
1 1 1   20   18    1 o   39.054   0.7340  1484.46   55.279  1502.97   74.302  1461.52   82.727   39.330   0.9732   38.778   1.0990 0.5517960 1.467972 
1 1 1   20   18    2 o   55.090   0.6937  2948.18   74.122  2933.73  102.566  2963.97  107.237   54.950   0.9616   55.230   1.0002 -0.2800827 1.387465 
1 1 1   20   18    3 o  156.919   1.2453 23982.87  378.742 23991.21  521.279 23973.54  551.219  156.963   1.7108  156.874   1.8101 0.8842468E-01 2.490680 
1 1 1   20   18    4 o   47.175   0.7234  2163.22   66.223  2223.72   93.587  2102.54   93.720   47.837   1.0078   46.513   1.0380 1.323391 1.446769 
1 1 1   20   18    5 o  101.084   0.9126  9937.29  179.053 10167.42  254.558  9711.94  251.900  102.243   1.2826   99.924   1.2986 2.319038 1.825243 
1 1 1   20   18    6 o   84.439   0.8245  6932.97  135.060  6928.42  187.762  6937.85  194.419   84.413   1.1459   84.465   1.1858 -0.5201721E-01 1.648954 
1 1 1   20   18    7 o   61.521   0.7369  3677.25   87.887  3632.71  120.861  3727.24  128.032   61.128   1.0185   61.914   1.0653 -0.7855186 1.473861 
1 1 1   20   18    8 o   44.583   0.7578  1929.21   65.509  1827.42   90.297  2042.33   95.184   43.344   1.0732   45.822   1.0701 -2.478142 1.515554 
1 1 1   20   18    9 o   36.855   0.9022  1334.95   63.868  1430.35   86.353  1219.74   94.894   38.333   1.1605   35.377   1.3818 2.955914 1.804482 
1 1 1   20   18   10 o   7.9210   2.1816   37.544   49.144   58.590   67.331   13.549   71.893   8.5071   3.1176   7.3349   3.0525 1.172165 4.363158 
1 1 1   20   18   11 o   12.352   2.0696  167.069   52.177  228.174   67.400   75.683   82.425   15.217   2.2817   9.4865   3.4535 5.730453 4.139221 
1 1 1   20   18   12 o   25.052   1.0805  616.615   52.165  702.508   73.857  531.114   73.689   26.814   1.4190   23.290   1.6299 3.524002 2.161040 
1 1 1   20   18   13 o   26.625   1.0579  691.176   54.313  586.449   74.336  811.108   79.550   24.460   1.5656   28.791   1.4234 -4.330572 2.115898 
1 1 1   20   18   14 o   14.938   1.9236  229.748   53.559  216.652   72.319  245.655   79.706   14.473   2.6726   15.403   2.7674 -0.9302216 3.847251 
1 1 1   20   18   15 o   38.114   0.8613  1429.90   63.278  1494.83   85.826  1352.56   93.665   39.091   1.1310   37.138   1.2993 1.953011 1.722591 
1 1 1   20   18   16 o   15.266   1.9956  248.283   56.679  314.914   78.860  177.083   81.518   17.707   2.2942   12.824   3.2659 4.883444 3.991167 
1 1 1   20   18   17 o   12.006   2.2947  160.073   56.658  202.789   76.154  107.118   84.792   13.762   2.9400   10.251   3.5242 3.510579 4.589500 
1 1 1   20   18   18 o   33.778   1.0508  1132.31   68.731  1205.04   96.331  1056.89   98.093   34.914   1.4214   32.642   1.5481 2.271755 2.101651 
1 1 1   20   18   19 o   40.866   1.1652  1668.38   91.103  1667.75  119.279  1669.26  141.142   40.957   1.5003   40.776   1.7831 0.1809235 2.330330 
1 1 1   20   19    0 o   22.599   1.0700  499.374   46.604  520.838   63.110  473.631   69.115   23.139   1.4050   22.058   1.6142 1.081402 2.139999 
1 1 1   20   19    1 o   68.016   0.7200  4493.38   95.014  4436.97  131.958  4554.11  136.921   67.574   1.0060   68.458   1.0303 -0.8842773 1.439996 
1 1 1   20   19    2 o   79.352   0.7725  6118.69  118.936  6086.81  165.503  6152.73  171.036   79.140   1.0773   79.564   1.1074 -0.4244995 1.544974 
1 1 1   20   19    3 o   44.992   0.7297  1968.14   63.460  1977.78   85.993  1956.60   94.039   45.116   0.9819   44.868   1.0797 0.2473640 1.459412 
1 1 1   20   19    4 f   53.065   0.7151  2737.26   73.447  2746.56  100.244  2726.48  107.920   53.165   0.9713   52.965   1.0497 0.1999626 1.430134 
1 1 1   20   19    5 o   59.241   0.7213  3411.12   82.942  3447.38  117.228  3374.78  117.369   59.557   1.0140   58.926   1.0261 0.6314316 1.442572 
1 1 1   20   19    6 o   41.832   0.7692  1701.87   62.444  1664.71   88.670  1738.43   87.954   41.378   1.1039   42.286   1.0715 -0.9085274 1.538444 
1 1 1   20   19    7 o   31.156   0.9910  941.418   59.637  908.471   79.862  982.949   89.665   30.546   1.3468   31.766   1.4541 -1.219261 1.982019 
1 1 1   20   19    8 o   49.144   0.7692  2349.44   73.233  2345.76  100.433  2353.61  107.013   49.106   1.0536   49.181   1.1209 -0.7484436E-01 1.538353 
1 1 1   20   19    9 o   48.685   0.7427  2306.29   70.178  2243.75   98.958  2369.56   99.539   48.019   1.0616   49.350   1.0391 -1.330509 1.485486 
1 1 1   20   19   10 o   77.720   0.8069  5883.96  121.697  5938.68  170.629  5827.30  173.622   78.092   1.1256   77.349   1.1563 0.7428284 1.613716 
1 1 1   20   19   11 o   26.920   1.0624  707.461   55.291  700.016   74.724  716.470   82.196   26.771   1.4379   27.068   1.5643 -0.2971535 2.124765 
1 1 1   20   19   12 o   20.204   1.3252  401.229   51.918  404.925   71.934  397.210   75.007   20.308   1.8248   20.101   1.9223 0.2070503 2.650481 
1 1 1   20   19   13 o   33.756   0.9050  1110.38   59.127  1070.94   80.052  1157.71   87.709   33.105   1.2457   34.407   1.3132 -1.302048 1.810018 
1 1 1   20   19   14 o   8.3249   2.2946   47.895   53.275   45.332   71.954   51.005   79.259   8.1198   3.1653   8.5299   3.3229 -0.4101143 4.589234 
1 1 1   20   19   15 o   27.854   1.0439  759.362   56.275  713.248   76.104  814.998   83.593   26.931   1.4558   28.777   1.4964 -1.846296 2.087718 
1 1 1   20   19   16 o   29.602   0.9907  859.222   56.776  824.918   76.994  900.109   84.056   28.965   1.3693   30.239   1.4320 -1.273127 1.981342 
1 1 1   20   19   17 f   18.804   1.6564  361.145   58.817  467.412   84.993  263.483   81.479   21.581   2.0289   16.028   2.6188 5.552557 3.312742 
1 1 1   20   19   18 f   41.056   0.8960  1661.88   71.356  1624.54  102.120  1697.51   99.747   40.591   1.2960   41.521   1.2376 -0.9301872 1.792012 
1 1 1   20   19   19 o   26.624   1.6212  732.190   82.556  751.812  108.983  705.771  126.459   27.185   2.0652   26.062   2.4996 1.122330 3.242392 
1 1 1   20   20    0 o   49.262   0.6726  2349.06   63.991  2276.04   85.715  2441.00   96.179   48.403   0.9123   50.122   0.9885 -1.719360 1.345143 
1 1 1   20   20    1 o   14.340   1.7273  208.366   45.979  233.356   61.699  177.155   68.953   15.469   2.0547   13.210   2.7771 2.259603 3.454591 
1 1 1   20   20    2 o   66.062   0.7168  4242.33   91.859  4289.06  128.043  4192.77  131.856   66.438   0.9928   65.685   1.0341 0.7531586 1.433561 
1 1 1   20   20    3 o   26.347   1.0278  671.826   52.426  618.632   71.188  734.862   77.495   25.214   1.4545   27.481   1.4527 -2.266840 2.055680 
1 1 1   20   20    4 o   26.564   1.0428  681.901   53.568  629.394   72.065  746.743   80.083   25.430   1.4598   27.698   1.4894 -2.267885 2.085565 
1 1 1   20   20    5 o   21.781   1.2732  459.430   53.396  439.625   70.531  486.021   81.726   21.240   1.7107   22.322   1.8860 -1.082945 2.546304 
1 1 1   20   20    6 o   21.542   1.3005  454.572   54.059  471.413   73.404  434.612   79.912   21.987   1.7198   21.097   1.9513 0.8897610 2.600992 
1 1 1   20   20    7 o   87.502   0.8323  7450.76  141.365  7570.62  200.303  7331.81  199.540   88.205   1.1698   86.800   1.1843 1.405037 1.664635 
1 1 1   20   20    8 o   36.667   0.8490  1307.17   60.151  1291.04   81.047  1326.95   89.748   36.421   1.1464   36.914   1.2525 -0.4931297 1.697903 
1 1 1   20   20    9 o   22.248   1.1920  483.283   51.413  476.505   70.739  490.871   74.852   22.086   1.6500   22.410   1.7207 -0.3241291 2.383951 
1 1 1   20   20   10 o   36.587   0.8591  1297.60   60.646  1245.02   80.754  1365.62   91.846   35.748   1.1637   37.426   1.2642 -1.678680 1.718273 
1 1 1   20   20   11 f   40.023   0.7965  1561.05   61.879  1562.00   87.264  1560.08   87.757   40.036   1.1228   40.011   1.1299 0.2562332E-01 1.592936 
1 1 1   20   20   12 o   10.517   2.3436  109.299   53.752   88.414   73.433  133.406   78.894   9.6572   3.2803   11.377   3.3481 -1.719316 4.687223 
1 1 1   20   20   13 o   14.808   1.8857  221.533   52.827  190.307   71.597  258.848   78.265   13.521   2.8192   16.095   2.5050 -2.574451 3.771330 
1 1 1   20   20   14 o   32.959   0.8827  1063.75   56.430  1066.12   78.313  1061.19   81.385   33.003   1.2224   32.915   1.2738 0.8819962E-01 1.765426 
1 1 1   20   20   15 o   37.724   0.8443  1393.18   61.816  1426.15   88.213  1361.37   86.649   38.164   1.1907   37.285   1.1972 0.8785210 1.688528 
1 1 1   20   20   16 o   15.113   1.9735  249.556   55.052  134.682   78.215  362.345   77.501   11.208   3.3424   19.019   2.0993 -7.810165 3.946979 
1 1 1   20   20   17 o   33.991   0.9388  1138.44   61.919  1098.59   87.342  1178.71   87.794   33.385   1.3477   34.597   1.3073 -1.211594 1.877596 
1 1 1   20   20   18 o   11.543   2.4902  149.747   61.223  126.533   95.417  165.993   79.820   10.862   3.7382   12.223   3.2909 -1.361270 4.980397 
1 1 1   20   20   19 o   11.092   2.8415  135.861   77.955  146.378   97.563  117.291  129.643   11.343   3.7812   10.840   4.2424 0.5023909 5.682928 
1 1 1   20   21    0 o   16.883   1.4817  282.052   47.823  312.333   64.723  245.641   70.973   17.904   1.8623   15.861   2.3051 2.042480 2.963337 
1 1 1   20   21    1 o   25.434   4.4480  668.290   71.281  582.918  529.883  669.863   71.935   24.627   8.7832   26.241   1.4122 -1.614061 8.895984 
1 1 1   20   21    2 o   23.517   1.0438  537.296   47.596  520.322   65.448  556.352   69.344   23.124   1.4580   23.910   1.4941 -0.7856808 2.087608 
1 1 1   20   21    3 o   63.486   0.6969  3914.13   85.810  3859.06  118.521  3974.79  124.399   63.018   0.9689   63.953   1.0021 -0.9352417 1.393847 
1 1 1   20   21    4 o   80.263   0.7838  6264.06  122.082  6419.60  172.564  6108.22  172.736   81.262   1.0940   79.263   1.1227 1.998695 1.567507 
1 1 1   20   21    5 o   71.181   0.7482  4924.58  103.300  4892.03  143.026  4960.09  149.358   70.938   1.0387   71.425   1.0772 -0.4873810 1.496411 
1 1 1   20   21    6 o   52.081   0.7294  2640.01   73.662  2760.65  103.711  2517.18  104.644   53.286   1.0026   50.876   1.0596 2.409111 1.458771 
1 1 1   20   21    7 o   25.318   1.1380  627.764   55.714  672.573   77.530  579.916   80.116   26.263   1.5208   24.373   1.6933 1.889608 2.275972 
1 1 1   20   21    8 o   26.291   1.0429  673.149   53.050  600.347   73.526  752.203   76.618   24.806   1.5269   27.777   1.4210 -2.970255 2.085821 
1 1 1   20   21    9 o   74.498   0.7900  5406.62  114.135  5476.44  158.596  5331.60  164.382   75.003   1.0893   73.993   1.1445 1.010010 1.579994 
1 1 1   20   21   10 o   26.233   1.0293  665.343   52.132  584.362   70.027  766.021   78.080   24.458   1.4749   28.008   1.4361 -3.549444 2.058606 
1 1 1   20   21   11 o   20.679   1.3550  412.901   53.922  360.151   71.021  484.693   82.855   19.147   1.9108   22.211   1.9217 -3.063692 2.710021 
1 1 1   20   21   12 o   29.630   1.0096  861.333   57.620  878.736   77.298  839.568   86.442   29.984   1.3280   29.276   1.5210 0.7076817 2.019217 
1 1 1   20   21   13 o   6.3123   1.9778 -21.3684   48.310 -38.8972   66.484  -1.7592   70.318   5.8215   2.6553   6.8031   2.9320 -0.9815898 3.955649 
1 1 1   20   21   14 o   8.2909   2.2290   48.398   51.927   84.540   70.655   5.9484   76.572   9.3519   3.2169   7.2299   3.0864 2.121911 4.458078 
1 1 1   20   21   15 o   9.7335   2.1682   83.058   55.247  169.330   74.478 -22.4886   82.379   12.597   3.0731   6.8701   3.0595 5.726860 4.336413 
1 1 1   20   21   16 o   8.9154   2.3602   68.181   54.843   60.423   73.580   77.877   82.262   8.5365   3.2331   9.2942   3.4393 -0.7577076 4.720317 
1 1 1   20   21   17 o   7.2232   2.2196 -24.3750   61.643   49.327   88.834 -92.8202   85.607   8.6076   3.4646   5.8389   2.7752 2.768695 4.439105 
1 1 1   20   21   18 o   9.2950   2.6521   64.417   72.999   69.986   94.237   56.062  115.429   9.2025   3.6125   9.3874   3.8840 -0.1848698 5.304268 
1 1 1   20   21   19 o   17.335   2.4669  338.511   79.124  336.901  100.353  341.156  128.640   17.740   2.9142   16.930   3.9811 0.8095436 4.933736 
1 1 1   20   22    0 o   75.849   0.7481  5590.27  110.122  5741.63  156.746  5442.76  154.745   76.863   1.0505   74.835   1.0652 2.028549 1.496119 
1 1 1   20   22    1 o   39.842   0.7257  1544.27   55.733  1556.65   74.697  1528.71   83.707   40.025   0.9614   39.658   1.0873 0.3670197 1.451404 
1 1 1   20   22    2 o   10.501   2.1489  107.871   47.256   76.213   64.794  143.847   69.071   9.1230   3.0814   11.878   2.9960 -2.755303 4.297773 
1 1 1   20   22    3 o   8.3487   2.2183   49.335   49.216   32.293   69.295   66.681   69.912   7.7834   3.0842   8.9140   3.1891 -1.130606 4.436565 
1 1 1   20   22    4 o   80.833   0.7863  6350.02  123.277  6281.05  170.597  6425.40  178.342   80.376   1.0934   81.289   1.1302 -0.9135742 1.572541 
1 1 1   20   22    5 o   30.138   0.9348  890.308   54.298  962.384   74.607  809.137   79.174   31.451   1.2220   28.826   1.4149 2.624477 1.869601 
1 1 1   20   22    6 o   15.902   1.7823  250.545   53.293  207.735   72.690  300.302   78.367   14.302   2.7177   17.502   2.3067 -3.200235 3.564625 
1 1 1   20   22    7 o   15.261   1.8897  230.509   53.027  137.794   70.504  351.263   80.461   11.595   3.0802   18.928   2.1899 -7.333092 3.779314 
1 1 1   20   22    8 o   68.984   0.7578  4631.98  101.436  4782.90  143.708  4482.12  143.197   70.107   1.0560   67.861   1.0870 2.245483 1.515508 
1 1 1   20   22    9 o   32.806   0.9203  1041.93   58.300  980.627   77.781  1120.53   88.072   31.717   1.2633   33.895   1.3386 -2.178032 1.840577 
1 1 1   20   22   10 o   28.283   1.0336  789.569   56.103  854.624   76.000  711.662   83.168   29.593   1.3230   26.972   1.5884 2.620619 2.067233 
1 1 1   20   22   11 o   15.422   1.8814  234.960   54.126  175.793   71.485  314.455   82.860   13.024   2.9018   17.821   2.3953 -4.797057 3.762712 
1 1 1   20   22   12 o   30.709   0.9576  923.069   57.051  944.478   80.041  900.960   81.340   31.076   1.3269   30.342   1.3810 0.7339916 1.915151 
1 1 1   20   22   13 o   6.3245   2.0000 -31.1882   51.744   3.0347   68.096 -77.9457   79.596   6.8064   2.9083   5.8425   2.7463 0.9639030 3.999987 
1 1 1   20   22   14 o   21.873   1.3097  476.567   55.039  492.633   73.577  456.156   82.933   22.330   1.6974   21.416   1.9950 0.9143677 2.619369 
1 1 1   20   22   15 o   13.864   2.1472  205.607   56.110  217.015   76.880  192.605   82.078   14.342   2.8618   13.385   3.2019 0.9566078 4.294415 
1 1 1   20   22   16 o   6.8955   2.1301 -29.0844   57.656   39.767   81.974 -96.4870   81.107   8.1892   3.3169   5.6017   2.6733 2.587467 4.260137 
1 1 1   20   22   17 o   18.677   1.6017  352.959   57.611  342.751   76.372  366.438   87.757   18.411   2.1369   18.943   2.3865 -0.5318356 3.203418 
1 1 1   20   22   18 o   11.357   2.8784  137.968   79.284  122.726  102.229  160.974  125.593   10.747   3.8552   11.968   4.2752 -1.220233 5.756774 
1 1 1   20   22   19 f   22.467   1.8397  539.543   78.284  591.541  103.949  471.410  118.989   23.966   2.2344   20.969   2.9233 2.997017 3.679455 
1 1 1   20   23    0 o   8.7765   2.1853   66.016   46.205   59.711   63.197   73.258   67.725   8.4632   3.0317   9.0899   3.1482 -0.6266832 4.370588 
1 1 1   20   23    1 o   42.439   0.7277  1755.68   59.764  1843.59   82.723  1659.70   86.437   43.556   0.9784   41.322   1.0776 2.234673 1.455494 
1 1 1   20   23    2 o   57.809   0.7012  3248.77   78.587  3267.07  108.640  3228.69  113.820   57.982   0.9652   57.637   1.0173 0.3455162 1.402352 
1 1 1   20   23    3 o   20.250   1.2132  392.828   47.274  344.686   62.188  458.733   72.761   18.806   1.7035   21.694   1.7278 -2.888000 2.426324 
1 1 1   20   23    4 o   60.239   0.7058  3525.92   82.417  3498.87  113.329  3556.28  120.072   59.996   0.9731   60.482   1.0227 -0.4854813 1.411681 
1 1 1   20   23    5 o   31.611   0.8945  973.486   54.331  978.649   72.002  966.659   82.795   31.715   1.1696   31.507   1.3537 0.2080326 1.788986 
1 1 1   20   23    6 o   39.644   0.7639  1528.34   58.708  1515.72   80.813  1542.44   85.430   39.473   1.0547   39.815   1.1054 -0.3418770 1.527784 
1 1 1   20   23    7 o   61.851   0.7187  3722.00   86.277  3757.67  121.388  3685.57  122.648   62.152   1.0061   61.550   1.0265 0.6020203 1.437389 
1 1 1   20   23    8 o   32.975   0.8935  1057.51   57.082  1027.78   77.930  1091.93   83.845   32.479   1.2361   33.471   1.2905 -0.9925499 1.786941 
1 1 1   20   23    9 o   39.775   0.7583  1542.64   58.466  1588.03   81.319  1494.07   84.119   40.386   1.0373   39.165   1.1065 1.221489 1.516635 
1 1 1   20   23   10 o   35.021   0.8693  1190.20   58.879  1130.19   79.249  1264.13   87.968   34.044   1.1992   35.997   1.2589 -1.952244 1.738647 
1 1 1   20   23   11 o   8.3574   2.1986   52.211   48.477   28.269   66.965   78.575   70.268   7.4817   3.0093   9.2332   3.2062 -1.751495 4.397243 
1 1 1   20   23   12 o   40.173   0.8479  1585.23   65.762  1690.59   90.509  1467.41   95.712   41.612   1.1205   38.734   1.2729 2.877121 1.695848 
1 1 1   20   23   13 o   21.501   1.4169  465.495   58.190  514.244   78.589  406.335   86.575   22.816   1.7744   20.185   2.2096 2.631414 2.833839 
1 1 1   20   23   14 o   19.155   1.4664  364.917   54.462  350.633   74.815  381.019   79.433   18.762   2.0543   19.548   2.0933 -0.7864285 2.932886 
1 1 1   20   23   15 o   11.159   2.4022  132.945   56.192  128.878   88.377  135.705   72.803   11.066   3.5945   11.252   3.1878 -0.1860247 4.804431 
1 1 1   20   23   16 o   12.398   2.1977  166.720   52.943  147.388   73.772  187.248   76.023   11.639   3.1765   13.157   3.0380 -1.518303 4.395372 
1 1 1   20   23   17 o   22.290   1.3849  504.912   58.508  635.141   83.564  379.677   81.946   25.235   1.7059   19.346   2.1821 5.888948 2.769811 
1 1 1   20   23   18 o   10.255   2.8653   83.210   82.488   43.697  103.561  151.783  136.429   8.7568   3.6555   11.753   4.4133 -2.996696 5.730591 
1 1 1   20   24    0 o   54.798   0.6730  2917.56   71.557  2907.26   99.708  2928.50  102.755   54.699   0.9390   54.896   0.9643 -0.1977730 1.345954 
1 1 1   20   24    1 o   45.233   0.6986  1983.48   61.203  1918.51   83.341  2059.54   90.171   44.432   0.9663   46.033   1.0091 -1.601467 1.397116 
1 1 1   20   24    2 o   40.314   0.7443  1580.14   58.217  1587.86   81.151  1571.96   83.565   40.417   1.0344   40.212   1.0705 0.2050209 1.488612 
1 1 1   20   24    3 o   46.006   0.7041  2057.31   62.878  2030.80   88.467  2084.37   89.387   45.707   0.9971   46.306   0.9944 -0.5991745 1.408218 
1 1 1   20   24    4 o   22.382   1.1514  485.407   49.870  444.888   67.513  534.066   73.984   21.360   1.6282   23.403   1.6285 -2.043095 2.302875 
1 1 1   20   24    5 o   10.535   2.1557   99.237   49.611   43.303   64.993  177.326   76.794   7.9312   3.0302   13.139   3.0668 -5.207454 4.311361 
1 1 1   20   24    6 o   16.887   1.5964  283.583   51.316  303.050   67.775  257.429   78.556   17.596   1.9842   16.178   2.5015 1.418337 3.192894 
1 1 1   20   24    7 o   40.208   0.7898  1578.88   61.443  1678.91   85.486  1471.98   88.371   41.535   1.0603   38.880   1.1709 2.655285 1.579609 
1 1 1   20   24    8 o   23.931   1.1576  558.066   53.395  545.012   71.024  575.035   80.975   23.620   1.5490   24.243   1.7207 -0.6234951 2.315212 
1 1 1   20   24    9 o   27.847   1.0454  758.239   56.336  764.359   76.881  751.142   82.789   27.977   1.4157   27.718   1.5387 0.2583599 2.090837 
1 1 1   20   24   10 o   32.732   0.8982  1048.47   56.900  1094.07   78.623  998.327   82.453   33.490   1.2094   31.975   1.3284 1.515476 1.796473 
1 1 1   20   24   11 o   17.314   1.5672  297.828   52.450  309.685   71.890  284.334   76.693   17.703   2.0920   16.926   2.3342 0.7769203 3.134479 
1 1 1   20   24   12 o   34.428   1.0322  1184.20   67.658  1008.81  100.925  1327.36   91.180   32.027   1.6234   36.830   1.2754 -4.802971 2.064440 
1 1 1   20   24   13 o   22.405   1.3072  497.236   56.772  462.978   79.552  532.792   81.044   21.607   1.8967   23.204   1.7993 -1.596617 2.614338 
1 1 1   20   24   14 o   28.189   1.1753  771.106   63.150  855.823  101.179  717.042   80.826   29.402   1.7728   26.977   1.5435 2.425249 2.350525 
1 1 1   20   24   15 o   40.727   0.8342  1624.83   65.877  1586.94   90.682  1667.18   95.861   40.231   1.1612   41.222   1.1980 -0.9912376 1.668352 
1 1 1   20   24   16 o   39.530   0.8735  1526.15   66.477  1458.45   87.763  1617.28  101.820   38.534   1.1733   40.526   1.2943 -1.991985 1.746945 
1 1 1   20   24   17 o   9.9789   2.5575   98.920   64.779   71.489   94.780  122.967   88.740   9.2711   3.6276   10.687   3.6062 -1.415543 5.115092 
1 1 1   20   24   18 o   10.297   2.5833  103.595   77.276  187.482   94.698 -63.6042  133.694   12.705   3.6480   7.8898   3.6587 4.814900 5.166594 
1 1 1   20   25    0 o   38.874   0.7459  1467.12   56.244  1425.10   77.660  1513.48   81.567   38.290   1.0448   39.458   1.0649 -1.168392 1.491886 
1 1 1   20   25    1 o   35.161   0.7879  1204.21   53.666  1244.21   74.339  1160.67   77.553   35.774   1.0705   34.548   1.1564 1.226669 1.575837 
1 1 1   20   25    2 o   72.039   0.7479  5047.61  104.521  5108.31  145.814  4983.46  149.902   72.487   1.0363   71.590   1.0787 0.8962479 1.495790 
1 1 1   20   25    3 o   52.595   0.7018  2694.46   71.478  2778.81   98.728  2601.54  103.620   53.465   0.9513   51.725   1.0320 1.740612 1.403546 
1 1 1   20   25    4 o   50.190   0.6984  2449.03   67.878  2441.70   92.724  2457.50   99.637   50.113   0.9532   50.268   1.0211 -0.1554642 1.396850 
1 1 1   20   25    5 o   53.167   0.6939  2749.91   71.507  2763.75   98.569  2734.53  103.893   53.311   0.9525   53.022   1.0094 0.2887726 1.387847 
1 1 1   20   25    6 o   14.468   1.8143  206.698   49.125  154.716   65.700  272.610   73.981   12.276   2.8167   16.660   2.2876 -4.383259 3.628669 
1 1 1   20   25    7 o   17.800   1.5236  309.892   52.522  292.465   71.342  330.515   77.609   17.259   2.1295   18.342   2.1797 -1.083340 3.047240 
1 1 1   20   25    8 o   30.300   0.9176  892.417   53.842  853.769   73.117  938.201   79.580   29.589   1.2730   31.012   1.3220 -1.422850 1.835230 
1 1 1   20   25    9 o   43.025   0.7776  1816.20   64.372  1919.48   87.054  1691.61   95.620   44.397   1.0101   41.654   1.1826 2.743900 1.555249 
1 1 1   20   25   10 o   24.279   1.1374  585.865   52.745  684.973   73.249  479.135   76.014   26.466   1.4257   22.091   1.7726 4.375868 2.274860 
1 1 1   20   25   11 o   16.396   1.8039  290.412   52.319  372.711   70.138  187.175   78.555   19.443   1.8583   13.348   3.0924 6.095239 3.607805 
1 1 1   20   25   12 f   36.487   0.8602  1303.99   60.815  1215.02   86.015  1392.92   85.997   35.231   1.2577   37.743   1.1738 -2.511784 1.720350 
1 1 1   20   25   13 o   33.366   1.0100  1091.55   63.989  1107.36  101.939  1081.27   82.201   33.522   1.5666   33.209   1.2751 0.3127251 2.019911 
1 1 1   20   25   14 o   10.818   2.3628  124.511   56.901  160.816   75.149   75.732   87.109   12.243   3.1454   9.3941   3.5266 2.848530 4.725511 
1 1 1   20   25   15 o   20.364   1.5535  431.186   59.173  492.156   78.086  348.953   90.686   22.230   1.8095   18.498   2.5256 3.732882 3.106906 
1 1 1   20   25   16 o   13.795   2.0991  223.577   58.432  329.843   77.603   84.452   88.794   18.038   2.2162   9.5521   3.5655 8.486146 4.198188 
1 1 1   20   25   17 o   14.896   2.5905  241.653   73.478  190.110   93.432  325.211  118.961   12.920   3.5943   16.871   3.7314 -3.951544 5.180928 
1 1 1   20   25   18 o   25.118   1.8479  681.601   86.254  751.596  111.605  577.781  135.922   27.094   2.1220   23.141   3.0258 3.952494 3.695704 
1 1 1   20   26    0 o   57.728   0.6932  3238.96   77.653  3229.58  108.422  3248.85  111.270   57.643   0.9690   57.813   0.9915 -0.1697998 1.386329 
1 1 1   20   26    1 o   57.786   0.6959  3244.44   78.027  3191.96  108.534  3300.57  112.254   57.304   0.9757   58.269   0.9924 -0.9652214 1.391733 
1 1 1   20   26    2 o   31.171   0.8530  940.307   51.462  877.005   69.648  1016.42   76.373   30.022   1.1951   32.319   1.2173 -2.296841 1.705922 
1 1 1   20   26    3 o   26.319   1.0343  675.349   52.803  682.376   73.498  667.852   75.910   26.463   1.4308   26.176   1.4940 0.2877522 2.068572 
1 1 1   20   26    4 o   18.174   1.8480  285.961   58.118  245.325   66.547  416.586  119.311   15.821   2.1668   20.527   2.9943 -4.705591 3.696026 
1 1 1   20   26    5 o   60.456   0.7300  3546.28   85.446  3432.90  115.977  3680.88  126.369   59.405   1.0057   61.506   1.0584 -2.100739 1.460055 
1 1 1   20   26    6 o   14.782   1.8397  219.353   51.466  223.853   70.335  214.166   75.507   15.080   2.4027   14.484   2.7866 0.5955524 3.679466 
1 1 1   20   26    7 o   62.146   0.7386  3759.89   89.041  3760.55  123.681  3759.17  128.291   62.155   1.0251   62.136   1.0636 0.1836014E-01 1.477193 
1 1 1   20   26    8 o   52.426   0.7510  2672.07   76.350  2565.10  105.161  2791.31  111.028   51.320   1.0556   53.533   1.0684 -2.212769 1.501954 
1 1 1   20   26    9 o   38.273   0.7931  1429.39   58.857  1372.23   83.979  1484.56   82.512   37.515   1.1532   39.030   1.0891 -1.514904 1.586156 
1 1 1   20   26   10 o   28.052   1.0323  769.498   55.835  762.773   74.612  778.058   84.174   27.926   1.3764   28.178   1.5389 -0.2515049 2.064584 
1 1 1   20   26   11 f   47.387   0.7787  2173.61   71.305  1985.02   95.570  2410.41  107.092   45.091   1.0919   49.683   1.1104 -4.592136 1.557302 
1 1 1   20   26   12 o   11.294   2.3530  123.297   56.245  195.951   89.327   75.570   72.399   13.505   3.4075   9.0831   3.2458 4.421871 4.706007 
1 1 1   20   26   13 o   40.483   0.8228  1600.10   64.421  1559.47   86.954  1649.54   95.913   39.927   1.1219   41.040   1.2040 -1.112610 1.645656 
1 1 1   20   26   14 o   36.332   0.9434  1312.16   65.489  1398.12   87.136  1200.56   99.279   37.762   1.1887   34.902   1.4654 2.860645 1.886885 
1 1 1   20   26   15 o   24.268   1.5444  589.843   67.212  582.513   80.764  606.356  121.221   24.201   1.7191   24.334   2.5663 -0.1327400 3.088876 
1 1 1   20   26   16 o   6.4779   2.0800 -34.6889   57.057 -21.0005   78.632 -49.9109   82.920   6.6370   2.9699   6.3187   2.9129 0.3182731 4.159983 
1 1 1   20   26   17 o   20.922   1.9655  456.699   79.038  377.213  106.879  552.630  117.416   18.845   2.9216   22.999   2.6300 -4.153549 3.931020 
1 1 1   20   27    0 o   34.623   0.7604  1156.32   50.634  1101.08   66.556  1232.23   78.017   33.652   1.0188   35.593   1.1292 -1.940804 1.520883 
1 1 1   20   27    1 o   36.373   0.7486  1290.48   52.313  1314.74   69.546  1258.85   79.391   36.773   0.9743   35.972   1.1369 0.8011742 1.497270 
1 1 1   20   27    2 o   45.755   0.7001  2031.76   62.017  1984.07   84.250  2088.17   91.624   45.172   0.9608   46.337   1.0186 -1.164688 1.400260 
1 1 1   20   27    3 o   40.939   0.7248  1626.06   57.496  1562.86   78.514  1699.14   84.432   40.085   1.0090   41.794   1.0407 -1.708332 1.449557 
1 1 1   20   27    4 o   8.9307   2.1876   69.082   47.701   98.044   66.300   38.003   68.681   9.9637   3.0988   7.8977   3.0887 2.065978 4.375233 
1 1 1   20   27    5 o   26.390   1.0599  682.003   53.854  700.420   72.283  659.025   80.737   26.802   1.3894   25.978   1.6010 0.8236694 2.119824 
1 1 1   20   27    6 o   68.273   0.7514  4533.55   99.473  4453.03  136.959  4623.45  144.715   67.636   1.0431   68.911   1.0818 -1.274483 1.502836 
1 1 1   20   27    7 o   27.683   1.0120  748.749   54.344  759.461   75.775  737.404   77.979   27.891   1.3996   27.476   1.4621 0.4153214 2.023961 
1 1 1   20   27    8 o   54.707   0.7443  2910.58   78.859  2849.06  107.455  2982.38  116.093   54.087   1.0235   55.327   1.0809 -1.240147 1.488600 
1 1 1   20   27    9 o   26.194   1.0477  670.851   53.084  665.437   71.994  677.302   78.581   26.086   1.4217   26.301   1.5391 -0.2146893 2.095305 
1 1 1   20   27   10 o   47.261   0.7590  2185.57   69.429  2315.66   96.643  2046.82   99.810   48.730   1.0217   45.792   1.1228 2.938339 1.518089 
1 1 1   20   27   11 o   60.502   0.8521  3565.62   97.270  3642.11  158.023  3518.95  123.424   60.970   1.3352   60.034   1.0591 0.9351845 1.704229 
1 1 1   20   27   12 f   28.906   1.0668  820.078   59.469  802.789   79.335  842.250   89.845   28.579   1.4300   29.232   1.5833 -0.6527691 2.133520 
1 1 1   20   27   13 o   22.108   1.3030  483.367   55.497  473.165   73.752  496.684   84.262   21.866   1.7375   22.349   1.9422 -0.4832954 2.606019 
1 1 1   20   27   14 o   13.298   2.5151  196.633   63.195  203.604   75.496  180.316  115.509   13.818   2.9067   12.778   4.1053 1.039741 5.030205 
1 1 1   20   27   15 o   26.243   1.1694  688.139   58.911  712.969   78.622  656.353   88.956   26.837   1.5092   25.649   1.7866 1.187963 2.338757 
1 1 1   20   27   16 o   14.129   2.2762  234.449   64.247  124.582   99.602  312.734   84.076   10.833   3.8139   17.424   2.4857 -6.591176 4.552438 
1 1 1   20   27   17 o   15.840   2.6830  292.538   80.844  286.432  107.031  300.648  123.360   15.792   3.5747   15.888   4.0019 -0.9593773E-01 5.365961 
1 1 1   20   28    0 o   33.373   0.7989  1084.02   51.632  1089.64   70.724  1077.61   75.552   33.469   1.0886   33.278   1.1696 0.1909027 1.597783 
1 1 1   20   28    1 o   45.978   0.7103  2059.82   63.258  2132.48   87.635  1980.77   91.404   46.830   0.9640   45.126   1.0434 1.703697 1.420615 
1 1 1   20   28    2 o   7.3298   2.0754   17.487   46.476 -16.4088   63.760   55.916   67.889   6.2103   2.7320   8.4493   3.1248 -2.239058 4.150739 
1 1 1   20   28    3 o   23.831   1.0788  551.946   49.536  537.542   65.772  570.825   75.298   23.480   1.4431   24.183   1.6040 -0.7029819 2.157620 
1 1 1   20   28    4 o   12.394   2.0158  159.796   49.581  213.060   67.733   98.312   72.773   14.718   2.3707   10.070   3.2610 4.647843 4.031656 
1 1 1   20   28    5 o   75.943   0.7761  5614.32  114.387  5565.88  159.991  5664.98  163.605   75.610   1.0901   76.276   1.1049 -0.6668930 1.552145 
1 1 1   20   28    6 o   23.442   1.4977  505.232   59.790  470.765   68.534  615.043  122.329   21.941   1.6091   24.943   2.5265 -3.001656 2.995412 
1 1 1   20   28    7 o   50.082   0.7461  2446.11   72.432  2518.57  100.775  2368.67  104.177   50.856   1.0208   49.308   1.0884 1.547729 1.492199 
1 1 1   20   28    8 o   20.395   1.2545  408.713   49.584  420.282   68.829  396.231   71.493   20.703   1.7127   20.087   1.8335 0.6160183 2.508979 
1 1 1   20   28    9 o   20.241   1.3999  396.215   54.439  333.351   71.744  481.540   83.584   18.380   2.0108   22.102   1.9482 -3.721842 2.799813 
1 1 1   20   28   10 f   17.464   1.5225  304.202   51.273  341.881   72.265  266.004   72.761   18.584   2.0031   16.344   2.2934 2.240911 3.045067 
1 1 1   20   28   11 o   41.230   0.8059  1661.20   64.286  1649.21   87.282  1675.41   95.040   41.079   1.0946   41.381   1.1832 -0.3010826 1.611808 
1 1 1   20   28   12 o   21.985   1.3625  484.420   56.729  502.294   73.486  458.059   89.244   22.552   1.6786   21.419   2.1464 1.132971 2.724900 
1 1 1   20   28   13 o   29.014   1.2358  820.031   62.780  801.413   73.886  868.378  119.065   28.558   1.3328   29.469   2.0814 -0.9107475 2.471521 
1 1 1   20   28   14 o   35.368   0.9155  1223.52   62.533  1164.60   83.564  1298.51   94.272   34.422   1.2506   36.314   1.3373 -1.892380 1.830977 
1 1 1   20   28   15 o   8.1765   2.3806   35.574   59.687   31.321   76.401   42.234   95.617   7.7326   3.1754   8.6204   3.5476 -0.8877544 4.761197 
1 1 1   20   28   16 f   15.191   2.5295  271.132   75.512  325.154   97.900  191.787  118.646   17.560   2.8721   12.823   4.1648 4.736945 5.059072 
1 1 1   20   28   17 o   18.312   2.4298  377.261   82.235  380.802  105.519  371.783  131.238   18.878   2.8795   17.747   3.9146 1.130508 4.859593 
1 1 1   20   29    0 o   15.325   1.5802  237.361   44.984  275.480   61.915  194.743   65.467   16.785   1.9003   13.866   2.5253 2.918811 3.160407 
1 1 1   20   29    1 o   36.667   0.7484  1306.42   53.205  1277.06   73.144  1339.40   77.536   36.232   1.0400   37.102   1.0766 -0.8707008 1.496838 
1 1 1   20   29    2 o   8.4239   1.9193   38.889   45.382 -56.3942   64.263  133.682   64.097   5.4357   2.5261   11.412   2.8903 -5.976407 3.838612 
1 1 1   20   29    3 o   44.600   0.7229  1935.09   62.548  1925.93   86.802  1944.98   90.208   44.492   1.0050   44.708   1.0394 -0.2157402 1.445864 
1 1 1   20   29    4 o   48.686   0.7176  2302.31   67.709  2232.97   92.655  2381.78   99.189   47.903   0.9964   49.469   1.0329 -1.565777 1.435176 
1 1 1   20   29    5 o   10.945   2.2494  120.155   50.013  109.392   64.968  135.810   78.357   10.377   3.0337   11.513   3.3220 -1.135429 4.498806 
1 1 1   20   29    6 o   29.240   0.9212  833.769   52.273  815.105   72.899  853.522   74.995   28.904   1.2993   29.576   1.3063 -0.6724663 1.842410 
1 1 1   20   29    7 o   37.340   0.8098  1354.36   58.583  1281.43   79.844  1439.41   86.219   36.257   1.1345   38.423   1.1560 -2.166786 1.619643 
1 1 1   20   29    8 o   10.662   2.3192  111.590   52.941   84.972   70.268  146.536   80.514   9.4610   3.2089   11.863   3.3494 -2.402439 4.638467 
1 1 1   20   29    9 o   18.541   1.4554  340.154   52.374  347.519   74.428  332.930   73.714   18.742   2.0458   18.340   2.0706 0.4018631 2.910755 
1 1 1   20   29   10 o   8.5657   2.2601   60.622   50.439   75.039   63.758   36.510   82.457   8.8892   3.0560   8.2423   3.3308 0.6469145 4.520289 
1 1 1   20   29   11 o   11.496   2.2192  143.975   51.950  172.923   68.133  103.772   80.293   12.810   2.8167   10.182   3.4303 2.627707 4.438497 
1 1 1   20   29   12 o   37.738   1.0253  1391.68   69.606  1376.41   83.763  1425.74  125.122   37.499   1.1507   37.978   1.6972 -0.4786568 2.050552 
1 1 1   20   29   13 o   9.1242   2.2885   54.376   56.406 -15.2595   74.911  145.552   85.718   6.6437   2.9402   11.605   3.5078 -4.960966 4.577028 
1 1 1   20   29   14 o   43.570   0.8550  1876.86   71.822  2001.07   98.269  1734.42  105.230   45.164   1.1209   41.975   1.2915 3.189651 1.710054 
1 1 1   20   29   15 o   9.6572   2.4901   84.998   59.533   62.294   75.617  122.015   96.553   8.5638   3.2693   10.751   3.7569 -2.186837 4.980265 
1 1 1   20   29   16 o   22.063   1.9331  505.197   82.218  438.134  109.661  591.289  124.249   20.390   2.7706   23.736   2.6966 -3.346643 3.866268 
1 1 1   20   30    0 o   24.315   1.0113  575.148   47.627  558.823   64.848  594.266   70.177   23.944   1.3952   24.686   1.4645 -0.7422504 2.022685 
1 1 1   20   30    1 o   36.883   0.7637  1325.79   54.363  1342.45   73.308  1305.44   81.034   37.146   1.0167   36.620   1.1400 0.5268173 1.527445 
1 1 1   20   30    2 o   16.773   1.4491  280.102   46.335  306.106   61.945  247.071   69.814   17.689   1.8040   15.856   2.2682 1.833075 2.898107 
1 1 1   20   30    3 o   30.860   0.8647  927.578   51.684  923.000   70.679  932.838   75.770   30.782   1.1829   30.938   1.2617 -0.1558800 1.729437 
1 1 1   20   30    4 f   9.3597   2.0420   60.888   47.283 -10.6991   61.850  161.557   73.345   6.2242   2.7156   12.495   3.0505 -6.271022 4.084076 
1 1 1   20   30    5 o   47.643   0.7239  2208.57   66.743  2189.52   90.705  2231.07   98.562   47.425   0.9853   47.862   1.0609 -0.4364548 1.447816 
1 1 1   20   30    6 o   38.086   0.8116  1405.82   59.634  1345.35   79.346  1484.31   90.403   37.157   1.1001   39.015   1.1937 -1.858009 1.623288 
1 1 1   20   30    7 o   15.152   1.7078  232.515   48.507  245.920   65.306  216.018   72.448   15.787   2.1310   14.517   2.6692 1.269399 3.415527 
1 1 1   20   30    8 o   9.4840   2.3273   83.867   52.176   81.910   70.494   86.239   77.591   9.3318   3.2130   9.6363   3.3679 -0.3045025 4.654683 
1 1 1   20   30    9 o   38.120   0.8390  1425.27   61.853  1539.86   86.549  1305.64   88.429   39.705   1.1229   36.534   1.2469 3.171028 1.678009 
1 1 1   20   30   10 o   7.8480   2.2029   29.481   53.052   72.338   72.011 -21.3930   78.458   8.9637   3.2334   6.7322   2.9927 2.231509 4.405763 
1 1 1   20   30   11 o   14.066   2.4244  214.474   62.254  218.728   74.867  204.942  112.070   14.458   2.7684   13.674   3.9808 0.7835836 4.848778 
1 1 1   20   30   12 o   24.309   1.2449  584.788   58.662  567.334   80.444  604.611   85.729   23.930   1.7317   24.687   1.7889 -0.7568569 2.489811 
1 1 1   20   30   13 o   34.301   0.9724  1165.78   63.764  1200.52   83.992  1118.51   97.966   34.956   1.2378   33.646   1.4999 1.310192 1.944717 
1 1 1   20   30   14 o   44.663   0.8334  1958.43   71.933  1941.17   97.076  1979.44  107.120   44.470   1.1245   44.857   1.2302 -0.3868332 1.666738 
1 1 1   20   30   15 o   12.794   2.5903  184.236   66.360  195.633  107.228  177.161   84.482   13.019   3.9207   12.570   3.3863 0.4487658 5.180582 
1 1 1   20   30   16 o   20.466   2.1313  462.747   79.191  496.214  102.125  412.274  125.416   21.869   2.4056   19.063   3.5188 2.806183 4.262525 
1 1 1   20   31    0 f   40.137   0.7215  1569.09   56.148  1643.37   79.029  1493.38   79.788   41.100   0.9906   39.174   1.0492 1.926033 1.442956 
1 1 1   20   31    1 o   44.249   0.7137  1905.28   61.294  1906.96   85.959  1903.53   87.425   44.270   1.0003   44.228   1.0183 0.4191208E-01 1.427399 
1 1 1   20   31    2 o   39.771   0.7442  1540.96   57.390  1570.47   79.825  1509.39   82.569   40.169   1.0237   39.374   1.0803 0.7951508 1.488308 
1 1 1   20   31    3 o   23.414   1.0857  535.522   49.338  525.257   69.065  546.219   70.507   23.185   1.5346   23.643   1.5363 -0.4579411 2.171403 
1 1 1   20   31    4 o   22.660   1.2016  504.181   52.690  526.927   72.822  479.191   76.331   23.207   1.6165   22.112   1.7783 1.094667 2.403188 
1 1 1   20   31    5 o   25.130   1.0906  619.392   52.683  513.564   73.486  731.302   75.568   22.901   1.6531   27.359   1.4229 -4.458200 2.181126 
1 1 1   20   31    6 o   24.599   1.1343  591.732   53.925  582.394   72.664  603.180   80.454   24.393   1.5345   24.806   1.6708 -0.4122887 2.268588 
1 1 1   20   31    7 o   38.322   0.8431  1432.77   62.672  1411.52   86.704  1456.02   90.695   38.027   1.1746   38.616   1.2099 -0.5881958 1.686264 
1 1 1   20   31    8 o   13.403   1.9250  183.016   49.227  148.334   67.498  222.423   71.950   11.890   2.9408   14.917   2.4847 -3.027734 3.849970 
1 1 1   20   31    9 o   34.437   0.9046  1166.89   59.461  1193.49   77.850  1129.64   92.122   34.940   1.1478   33.934   1.3985 1.006481 1.809222 
1 1 1   20   31   10 f   21.171   1.5254  419.714   58.735  373.333   70.085  529.146  107.652   19.405   1.8606   22.936   2.4179 -3.531548 3.050873 
1 1 1   20   31   11 o   48.584   0.7631  2314.65   71.550  2375.73   96.895  2241.41  106.105   49.312   1.0122   47.855   1.1422 1.457169 1.526189 
1 1 1   20   31   12 o   28.872   1.0442  829.790   57.475  867.933   75.602  777.557   88.469   29.714   1.3107   28.029   1.6260 1.684872 2.088477 
1 1 1   20   31   13 o   24.447   1.2218  596.790   57.661  618.501   78.478  571.319   85.002   24.968   1.6192   23.925   1.8303 1.043188 2.443666 
1 1 1   20   31   14 o   29.774   1.0826  878.634   62.484  816.211   87.081  944.881   89.709   28.671   1.5647   30.877   1.4967 -2.206758 2.165234 
1 1 1   20   31   15 o   7.8826   2.4838 -14.2169   77.623   17.945  101.350 -59.8517  120.726   8.1865   3.5241   7.5786   3.5011 0.6079221 4.967573 
1 1 1   20   31   16 o   30.298   1.5263  947.926   88.605  988.857  118.102  895.222  134.013   31.201   1.9499   29.394   2.3487 1.807070 3.052609 
1 1 1   20   32    0 o   73.301   0.7632  5231.48  108.554  5247.73  151.583  5214.36  155.530   73.421   1.0636   73.181   1.0948 0.2403412 1.526390 
1 1 1   20   32    1 f   50.999   0.7006  2533.46   69.241  2572.00   95.562  2490.87  100.465   51.412   0.9575   50.586   1.0231 0.8265038 1.401291 
1 1 1   20   32    2 o   16.405   1.4731  269.372   45.972  317.841   63.497  215.977   66.645   18.009   1.8163   14.801   2.3196 3.208474 2.946134 
1 1 1   20   32    3 o   20.693   1.1950  419.037   47.940  449.008   68.692  390.579   66.937   21.418   1.6522   19.968   1.7269 1.449863 2.389953 
1 1 1   20   32    4 o   69.820   0.7585  4749.19  102.805  4797.59  145.661  4701.14  145.117   70.175   1.0693   69.464   1.0762 0.7106476 1.517094 
1 1 1   20   32    5 o   39.619   0.8140  1530.88   62.250  1532.55   83.745  1528.82   93.061   39.653   1.0880   39.585   1.2111 0.6800079E-01 1.627983 
1 1 1   20   32    6 o   77.652   0.8052  5882.34  121.359  5837.33  170.482  5928.57  172.796   77.353   1.1354   77.952   1.1419 -0.5999146 1.610302 
1 1 1   20   32    7 o   10.998   1.9262  119.313   50.800  223.298   69.342  -1.1469   74.633   14.971   2.3861   7.0262   3.0244 7.944432 3.852327 
1 1 1   20   32    8 o   49.349   0.7525  2369.25   71.484  2314.02   94.675  2442.48  109.023   48.700   1.0015   49.999   1.1233 -1.299728 1.504911 
1 1 1   20   32    9 o   22.157   1.4286  482.405   58.086  470.619   71.004  506.252  101.000   21.836   1.6751   22.478   2.3147 -0.6422272 2.857223 
1 1 1   20   32   10 f   50.986   0.7641  2541.03   75.166  2536.71  100.881  2546.42  112.700   50.958   1.0198   51.015   1.1380 -0.5701828E-01 1.528144 
1 1 1   20   32   11 f   35.168   0.9053  1208.86   61.453  1167.25   82.080  1261.93   92.702   34.499   1.2257   35.837   1.3326 -1.337936 1.810539 
1 1 1   20   32   12 o   24.300   1.2353  589.098   58.061  625.483   80.604  549.860   83.705   25.113   1.6535   23.488   1.8359 1.625366 2.470696 
1 1 1   20   32   13 o   59.798   0.7777  3509.64   90.223  3623.00  127.200  3394.86  127.994   60.783   1.0781   58.813   1.1211 1.969437 1.555348 
1 1 1   20   32   14 o   27.849   1.2767  775.722   68.835  797.807  101.656  757.022   93.543   28.188   1.8578   27.509   1.7517 0.6790733 2.553408 
1 1 1   20   32   15 o   14.671   2.7816  256.595   81.219  279.960  111.561  230.247  118.470   15.501   3.7487   13.840   4.1105 1.660451 5.563133 
1 1 1   20   33    0 o   18.684   1.1909  336.445   42.834  301.625   56.341  384.138   65.938   17.559   1.6530   19.809   1.7147 -2.250683 2.381740 
1 1 1   20   33    1 o   13.755   1.7276  197.273   43.567  228.966   57.552  154.736   66.676   15.272   1.9413   12.239   2.8583 3.033460 3.455225 
1 1 1   20   33    2 o   35.811   0.7860  1249.83   54.514  1253.51   74.707  1245.64   79.728   35.872   1.0728   35.750   1.1489 0.1222878 1.571905 
1 1 1   20   33    3 o   31.875   0.8503  989.058   52.422  970.825   70.873  1011.09   77.896   31.557   1.1570   32.193   1.2465 -0.6362648 1.700673 
1 1 1   20   33    4 o   54.175   0.6990  2859.79   73.470  2905.41  102.686  2811.94  105.164   54.621   0.9685   53.728   1.0083 0.8932571 1.398083 
1 1 1   20   33    5 o   87.831   0.8594  7531.02  146.507  7522.25  205.247  7540.13  209.194   87.784   1.2045   87.879   1.2263 -0.9513855E-01 1.718896 
1 1 1   20   33    6 o   33.835   0.9300  1116.11   60.903  1073.43   82.434  1167.40   90.374   33.132   1.2817   34.538   1.3480 -1.406212 1.860047 
1 1 1   20   33    7 o   18.069   1.4678  321.713   51.310  291.705   69.487  357.694   76.089   17.146   2.0877   18.992   2.0639 -1.845312 2.935681 
1 1 1   20   33    8 o   9.9408   2.4641   95.220   58.163  106.423   72.719   75.327   96.902   10.198   3.2553   9.6831   3.6999 0.5154314 4.928145 
1 1 1   20   33    9 o   8.3818   2.1855   34.853   52.721 -34.1004   71.479  117.120   78.075   6.1405   2.7822   10.623   3.3712 -4.482463 4.371020 
1 1 1   20   33   10 o   23.832   1.2433  559.314   57.323  525.184   77.276  601.071   85.477   23.036   1.7281   24.628   1.7880 -1.591444 2.486609 
1 1 1   20   33   11 o   45.809   0.7907  2054.53   70.285  1996.46   97.853  2116.41  101.018   45.141   1.1167   46.477   1.1197 -1.335159 1.581362 
1 1 1   20   33   12 o   36.857   0.8905  1338.93   63.006  1355.37   83.465  1317.14   96.066   37.158   1.1571   36.555   1.3538 0.6034012 1.780933 
1 1 1   20   33   13 o   17.461   1.7009  315.655   56.591  336.726   75.052  287.889   86.154   18.246   2.1191   16.677   2.6613 1.568443 3.401879 
1 1 1   20   33   14 o   18.249   2.4630  376.508   82.989  404.051  107.486  335.852  130.588   19.584   2.8274   16.914   4.0339 2.669525 4.926075 
1 1 1   20   33   15 f   29.711   1.4760  903.510   84.417  913.126  112.866  891.300  127.180   29.993   1.9385   29.428   2.2263 0.5654240 2.952041 
1 1 1   20   34    0 o   75.273   0.7697  5517.32  112.420  5429.61  156.493  5610.85  161.602   74.657   1.0798   75.888   1.0970 -1.231331 1.539305 
1 1 1   20   34    1 o   49.388   0.7063  2375.05   67.713  2369.01   95.423  2381.18   96.102   49.325   0.9966   49.451   1.0011 -0.1257706 1.412624 
1 1 1   20   34    2 o   13.614   1.8347  190.637   46.909  245.577   66.372  135.806   66.306   15.781   2.1666   11.447   2.9615 4.334071 3.669381 
1 1 1   20   34    3 o   13.653   1.8981  191.653   48.504  179.380   68.180  204.230   69.019   13.183   2.7530   14.122   2.6139 -0.9387169 3.796276 
1 1 1   20   34    4 o   25.049   1.0628  614.763   51.466  617.685   69.814  611.286   76.168   25.124   1.4315   24.973   1.5712 0.1512146 2.125510 
1 1 1   20   34    5 o   39.244   0.8146  1504.58   61.992  1586.97   87.828  1422.77   87.513   40.321   1.1221   38.166   1.1812 2.154560 1.629229 
1 1 1   20   34    6 o   41.858   0.7904  1712.03   64.170  1732.65   89.318  1690.04   92.252   42.125   1.0923   41.592   1.1426 0.5327950 1.580729 
1 1 1   20   34    7 o   27.327   1.0991  739.375   57.502  766.622   76.167  703.264   87.685   27.950   1.4039   26.704   1.6916 1.245995 2.198236 
1 1 1   20   34    8 o   50.541   0.7489  2501.83   73.234  2572.42  100.473  2421.82  106.971   51.320   1.0086   49.763   1.1074 1.557041 1.497816 
1 1 1   20   34    9 o   29.897   0.9652  872.139   55.692  828.211   74.183  928.875   84.307   29.052   1.3154   30.741   1.4128 -1.689301 1.930340 
1 1 1   20   34   10 o   44.425   0.7756  1922.54   66.429  1854.40   88.269  2011.54  100.879   43.540   1.0444   45.311   1.1469 -1.770954 1.551171 
1 1 1   20   34   11 o   7.5759   2.2335   19.719   53.293   6.3518   67.808   41.317   86.192   6.7918   2.9021   8.3600   3.3959 -1.568165 4.466995 
1 1 1   20   34   12 o   34.083   0.9380  1148.70   61.576  1175.05   82.668  1115.86   92.287   34.560   1.2322   33.607   1.4147 0.9534302 1.876082 
1 1 1   20   34   13 o   23.277   1.5693  562.750   68.027  506.327  109.524  598.189   86.801   22.133   2.5492   24.420   1.8311 -2.287100 3.138678 
1 1 1   20   34   14 o   9.4101   2.6971   66.300   78.468  100.995  102.558   17.315  121.862   10.088   3.8179   8.7322   3.8107 1.355933 5.394261 
1 1 1   20   35    0 f   14.684   1.5910  213.116   45.296  222.107   63.551  203.832   64.579   15.007   2.1816   14.362   2.3164 0.6451607 3.182014 
1 1 1   20   35    1 o   29.269   0.9057  836.325   51.457  830.072   72.795  842.570   72.747   29.159   1.2861   29.379   1.2756 -0.2200813 1.811382 
1 1 1   20   35    2 o   33.402   0.8445  1093.61   54.505  1178.66   75.724  1002.17   78.515   34.766   1.1221   32.037   1.2625 2.728355 1.689057 
1 1 1   20   35    3 o   18.895   1.3413  351.211   49.022  312.362   68.007  393.230   70.728   17.798   1.9684   19.992   1.8225 -2.193857 2.682559 
1 1 1   20   35    4 o   10.675   2.0475   96.496   50.920  217.780   78.069   6.6983   67.175   14.474   2.8799   6.8750   2.9113 7.599140 4.095022 
1 1 1   20   35    5 o   60.853   0.7469  3620.36   88.022  3718.44  121.446  3511.81  127.758   61.737   1.0134   59.970   1.0975 1.766453 1.493775 
1 1 1   20   35    6 o   45.141   0.7596  1974.40   65.355  1909.39   84.138  2073.29  103.769   44.236   0.9798   46.046   1.1609 -1.810066 1.519173 
1 1 1   20   35    7 o   35.883   0.8520  1263.34   58.584  1276.91   77.172  1244.89   89.999   36.137   1.1001   35.628   1.3013 0.5084953 1.704014 
1 1 1   20   35    8 o   5.8356   1.9009 -55.9194   49.936 -85.2223   66.912 -19.0845   75.021   5.0646   2.4201   6.6066   2.9321 -1.541968 3.801836 
1 1 1   20   35    9 o   23.528   1.2214  555.770   54.839  601.629   73.244  497.268   82.727   24.699   1.5277   22.356   1.9063 2.342604 2.442876 
1 1 1   20   35   10 o   21.491   1.3702  460.708   56.942  453.991   76.986  468.820   84.607   21.342   1.8582   21.639   2.0142 -0.2962399 2.740486 
1 1 1   20   35   11 o   9.2951   2.4205   80.257   57.398   82.584   77.739   77.468   85.107   9.2968   3.3586   9.2933   3.4864 0.3518105E-02 4.841002 
1 1 1   20   35   12 o   22.065   1.3309  487.155   56.928  463.725   78.097  513.721   83.160   21.504   1.8709   22.625   1.8935 -1.120737 2.661846 
1 1 1   20   35   13 o   22.072   1.9189  497.434   80.024  456.979  100.627  567.040  131.993   21.023   2.4658   23.121   2.9409 -2.097820 3.837816 
1 1 1   20   35   14 o   8.7296   2.6341   24.692   81.665   80.470  112.309 -37.8883  118.960   9.7077   3.8998   7.7514   3.5419 1.956306 5.268137 
1 1 1   20   36    0 o   45.458   0.7041  2014.60   62.077  2057.20   86.622  1969.63   89.006   45.957   0.9710   44.960   1.0198 0.9970207 1.408139 
1 1 1   20   36    1 o   15.573   1.5744  249.971   44.783  308.681   61.849  185.270   64.929   17.719   1.7981   13.427   2.5850 4.292712 3.148865 
1 1 1   20   36    2 f   5.7554   1.8433 -32.6972   44.381 -17.6596   58.522 -53.0515   68.086   5.8464   2.5924   5.6644   2.6211 0.1820254 3.686613 
1 1 1   20   36    3 o   31.606   0.9521  963.967   57.991  1126.07   88.119  840.133   77.019   33.918   1.3384   29.294   1.3544 4.624090 1.904119 
1 1 1   20   36    4 o   17.164   1.4317  287.528   47.229  237.956   62.961  351.315   71.420   15.486   2.0945   18.843   1.9525 -3.357435 2.863429 
1 1 1   20   36    5 o   39.677   0.7652  1541.64   58.356  1565.62   77.633  1510.49   88.484   40.052   0.9985   39.303   1.1598 0.7493515 1.530415 
1 1 1   20   36    6 o   47.348   0.7734  2194.47   70.724  2218.86   95.640  2165.03  105.059   47.657   1.0338   47.039   1.1506 0.6180916 1.546788 
1 1 1   20   36    7 o   36.525   0.8456  1309.48   59.676  1342.38   81.207  1270.85   87.991   37.042   1.1293   36.008   1.2589 1.034847 1.691210 
1 1 1   20   36    8 o   24.419   1.2104  590.857   56.974  596.524   76.427  583.769   85.479   24.581   1.6017   24.258   1.8153 0.3224945 2.420892 
1 1 1   20   36    9 o   47.237   0.7825  2185.19   71.675  2174.81   99.053  2196.59  103.844   47.128   1.0827   47.345   1.1299 -0.2169228 1.564914 
1 1 1   20   36   10 o   22.745   1.3015  518.848   57.129  548.990   78.296  484.530   83.544   23.495   1.7167   21.994   1.9568 1.501345 2.603083 
1 1 1   20   36   11 o   9.4750   2.2554   87.808   53.344  137.349   71.857   26.987   79.618   11.213   3.1637   7.7368   3.2154 3.476506 4.510800 
1 1 1   20   36   12 o   28.907   1.2728  830.520   69.998  873.816  111.697  802.520   89.824   29.440   1.9545   28.374   1.6308 1.065176 2.545537 
1 1 1   20   36   13 o   13.843   2.9364  223.794   85.415  173.868  112.336  292.213  131.506   12.193   4.0570   15.494   4.2462 -3.301445 5.872822 
1 1 1   20   37    0 o   12.669   1.8533  164.830   43.913  153.373   59.008  179.050   65.739   12.179   2.5764   13.159   2.6649 -0.9803438 3.706666 
1 1 1   20   37    1 o   7.1895   2.0571   24.601   44.766   36.667   59.886   9.3187   67.394   7.4274   2.8898   6.9517   2.9283 0.4757199 4.114140 
1 1 1   20   37    2 o   40.425   0.8324  1601.84   64.730  1558.05   97.620  1636.20   86.475   39.910   1.2601   40.939   1.0881 -1.029018 1.664876 
1 1 1   20   37    3 o   34.261   0.8112  1143.89   53.758  1111.33   72.567  1183.48   80.030   33.730   1.1083   34.792   1.1850 -1.061871 1.622494 
1 1 1   20   37    4 o   59.432   0.7271  3449.70   83.668  3461.77  114.373  3435.81  122.715   59.557   0.9893   59.307   1.0659 0.2499809 1.454274 
1 1 1   20   37    5 o   38.319   0.8359  1443.75   61.816  1510.72   84.285  1365.80   90.937   39.305   1.1047   37.333   1.2548 1.972942 1.671793 
1 1 1   20   37    6 o   28.284   0.9904  784.911   54.333  760.306   75.012  812.067   78.804   27.821   1.3889   28.747   1.4122 -0.9256668 1.980765 
1 1 1   20   37    7 o   23.673   1.2459  564.666   56.194  632.180   75.878  482.657   83.627   25.323   1.5436   22.024   1.9561 3.299412 2.491780 
1 1 1   20   37    8 o   12.159   2.1736  158.845   51.350  149.177   71.514  169.136   73.781   11.776   3.0898   12.543   3.0579 -0.7668715 4.347140 
1 1 1   20   37    9 o   12.280   2.1054  164.603   53.605  231.449   73.231   87.440   78.680   15.062   2.5046   9.4987   3.3848 5.563463 4.210738 
1 1 1   20   37   10 o   25.313   1.1656  636.620   57.074  633.326   77.462  640.531   84.416   25.266   1.5794   25.360   1.7148 -0.9420013E-01 2.331289 
1 1 1   20   37   11 f   44.426   0.8278  1945.43   71.166  2006.91   97.870  1876.44  103.668   45.199   1.1155   43.652   1.2234 1.546974 1.655590 
1 1 1   20   37   12 o   14.582   2.7990  234.486   82.605  154.954  106.001  357.471  131.815   11.690   3.9413   17.475   3.9755 -5.784897 5.598078 
1 1 1   20   37   13 o   19.753   2.2431  434.520   82.327  485.333  111.948  374.673  121.493   21.434   2.6906   18.072   3.5898 3.362013 4.486156 
1 1 1   20   38    0 o   25.502   0.9678  636.702   47.893  613.913   66.885  660.680   68.609   25.033   1.3764   25.971   1.3609 -0.9387035 1.935603 
1 1 1   20   38    1 f   9.7730   2.1438   96.569   46.675   59.428   68.387  128.959   63.863   8.4605   3.1348   11.085   2.9252 -2.624932 4.287638 
1 1 1   20   38    2 o   46.019   0.7227  2062.17   64.394  2002.51   87.466  2132.76   95.155   45.301   0.9946   46.737   1.0488 -1.436031 1.445468 
1 1 1   20   38    3 o   27.213   1.0007  727.256   52.780  728.684   72.721  725.667   76.724   27.250   1.3748   27.176   1.4544 0.7416153E-01 2.001320 
1 1 1   20   38    4 o   34.128   0.8490  1142.99   56.046  1173.73   76.743  1107.86   82.045   34.636   1.1414   33.621   1.2571 1.014492 1.698005 
1 1 1   20   38    5 o   26.107   1.0730  666.817   53.899  640.962   71.065  701.834   82.703   25.535   1.4337   26.679   1.5969 -1.144386 2.146080 
1 1 1   20   38    6 o   34.307   0.8915  1162.60   58.574  1211.94   77.773  1097.93   89.036   35.187   1.1386   33.427   1.3721 1.759762 1.783049 
1 1 1   20   38    7 f   7.0057   2.1018   5.9622   51.080   35.887   65.330 -41.1046   81.933   7.5268   2.9908   6.4845   2.9538 1.042314 4.203610 
1 1 1   20   38    8 o   17.040   1.8228  314.640   55.581  379.384   73.757  229.560   84.552   19.477   1.9509   14.603   3.0797 4.873990 3.645635 
1 1 1   20   38    9 o   41.603   0.8364  1694.44   67.219  1643.14   90.151  1758.67  100.875   40.917   1.1350   42.290   1.2288 -1.373707 1.672777 
1 1 1   20   38   10 o   37.621   0.8955  1393.95   65.277  1385.57   89.506  1403.47   95.409   37.517   1.2290   37.726   1.3028 -0.2087784 1.791054 
1 1 1   20   38   11 o   29.642   1.2795  880.993   73.253  893.128  109.480  871.156   98.568   29.780   1.8939   29.504   1.7210 0.2752457 2.559030 
1 1 1   20   38   12 o   25.312   1.7225  665.028   84.438  653.935  115.204  677.905  124.119   25.135   2.3612   25.489   2.5085 -0.3544407 3.445001 
1 1 1   20   39    0 o   9.8860   1.8648   90.878   47.181 -32.2872   70.266  192.001   63.668   6.1331   2.7705   13.639   2.4968 -7.505741 3.729598 
1 1 1   20   39    1 o   44.737   0.7178  1954.78   62.165  1963.83   84.968  1944.36   91.191   44.858   0.9758   44.616   1.0529 0.2428780 1.435545 
1 1 1   20   39    2 o   39.604   0.7588  1531.79   58.269  1508.29   80.307  1557.91   84.674   39.288   1.0530   39.919   1.0927 -0.6307793 1.517500 
1 1 1   20   39    3 o   8.0396   2.1440   37.732   48.018  -4.4125   63.736   93.053   73.022   6.3895   2.7724   9.6898   3.2712 -3.300314 4.288037 
1 1 1   20   39    4 o   29.060   0.9495  837.457   52.594  881.048   69.289  778.200   80.786   29.996   1.1900   28.123   1.4798 1.872620 1.898916 
1 1 1   20   39    5 f   28.464   0.9518  794.999   52.037  790.199   68.705  801.457   79.697   28.387   1.2468   28.541   1.4385 -0.1532917 1.903641 
1 1 1   20   39    6 o   25.765   1.1023  657.905   54.437  670.765   71.958  640.697   83.240   26.098   1.4204   25.432   1.6861 0.6666431 2.204660 
1 1 1   20   39    7 o   17.283   1.5359  296.994   51.204  264.779   68.060  339.012   77.727   16.219   2.1617   18.346   2.1826 -2.126928 3.071893 
1 1 1   20   39    8 o   22.077   1.3224  498.445   55.272  572.271   74.582  408.498   82.324   24.020   1.5996   20.135   2.1062 3.884144 2.644761 
1 1 1   20   39    9 o   31.362   0.9767  971.610   59.404  973.276   82.313  969.799   85.817   31.403   1.3503   31.322   1.4114 0.8019257E-01 1.953318 
1 1 1   20   39   10 o   8.7256   2.4053   39.238   62.858  121.977   94.972 -25.2591   83.851   10.694   3.7267   6.7576   3.0420 3.936072 4.810576 
1 1 1   20   39   11 o   26.278   1.5766  711.561   79.991  766.520  110.945  652.061  115.437   27.429   2.0837   25.126   2.3668 2.302694 3.153293 
1 1 1   20   40    0 o   15.099   1.6231  233.236   45.986  259.497   63.611  204.486   66.557   16.149   2.0292   14.049   2.5337 2.099395 3.246137 
1 1 1   20   40    1 o   36.702   0.7652  1318.24   54.190  1329.46   72.957  1304.44   80.934   36.891   1.0188   36.512   1.1419 0.3789406 1.530314 
1 1 1   20   40    2 o   21.368   1.1434  438.515   46.742  381.249   60.222  525.296   74.133   19.667   1.5774   23.068   1.6556 -3.400471 2.286710 
1 1 1   20   40    3 o   55.048   0.7038  2968.47   74.803  3056.99  101.630  2863.83  110.502   55.966   0.9355   54.129   1.0517 1.836456 1.407511 
1 1 1   20   40    4 o   16.633   1.5002  278.474   47.526  286.646   62.119  266.937   73.806   16.982   1.8844   16.285   2.3347 0.6965084 3.000350 
1 1 1   20   40    5 o   10.266   2.4364  106.243   60.039   55.873   90.283  146.180   80.391   8.8981   3.5222   11.634   3.3671 -2.735871 4.872714 
1 1 1   20   40    6 o   22.453   1.3039  504.851   56.217  520.376   74.969  484.905   84.973   22.898   1.6867   22.009   1.9889 0.8888721 2.607793 
1 1 1   20   40    7 o   8.5710   2.3229   58.309   55.234   82.490   74.864   29.422   81.824   9.2428   3.3009   7.8991   3.2693 1.343740 4.645864 
1 1 1   20   40    8 o   29.054   1.0320  835.250   58.205  827.594   82.073  842.997   82.558   28.919   1.4620   29.189   1.4571 -0.2697716 2.064083 
1 1 1   20   40    9 o   12.932   2.3240  185.379   58.483  168.831   80.458  203.915   85.155   12.316   3.2991   13.549   3.2742 -1.233196 4.648047 
1 1 1   20   40   10 o   24.944   1.7143  648.904   80.661  832.279  115.742  475.739  112.473   28.604   2.0845   21.284   2.7223 7.319536 3.428687 
1 1 1   20   40   11 o   38.009   1.2958  1459.55   95.608  1452.83  134.895  1466.32  135.527   37.921   1.8325   38.097   1.8326 -0.1755257 2.591634 
1 1 1   20   41    0 o   44.434   0.7250  1930.62   62.313  1950.08   84.877  1907.86   91.775   44.690   0.9784   44.178   1.0702 0.5121765 1.449995 
1 1 1   20   41    1 o   18.964   1.3880  339.455   49.731  278.453   62.291  446.679   82.585   16.744   1.9165   21.183   2.0084 -4.439432 2.776044 
1 1 1   20   41    2 o   7.5879   2.1159   37.746   45.859   43.636   61.492   30.364   68.837   7.6557   2.9421   7.5200   3.0418 0.1357460 4.231821 
1 1 1   20   41    3 o   9.4991   2.1603   79.547   47.944   31.167   62.776  147.263   74.269   7.2928   2.9206   11.705   3.1841 -4.412709 4.320660 
1 1 1   20   41    4 o   13.244   2.0360  185.660   51.061  144.952   69.843  232.398   74.837   11.609   3.0571   14.880   2.6899 -3.271330 4.072074 
1 1 1   20   41    5 o   25.517   1.1332  642.869   55.992  616.550   75.994  674.125   82.814   24.959   1.5685   26.076   1.6361 -1.117140 2.266495 
1 1 1   20   41    6 o   25.108   1.1477  621.062   55.495  520.343   75.356  740.422   82.033   22.874   1.6971   27.342   1.5456 -4.467943 2.295469 
1 1 1   20   41    7 o   30.324   0.9709  905.968   57.091  862.580   78.673  954.234   82.978   29.559   1.3711   31.089   1.3750 -1.529305 1.941766 
1 1 1   20   41    8 o   16.282   1.8393  277.184   55.814  275.931   72.735  278.980   87.045   16.447   2.2782   16.117   2.8884 0.3301525 3.678678 
1 1 1   20   41    9 o   20.995   1.9217  458.125   76.524  443.885   97.817  480.588  122.857   20.734   2.4303   21.257   2.9774 -0.5231209 3.843357 
1 1 1   20   41   10 o   10.713   2.7941  121.448   79.194  160.898  105.273   70.018  120.199   11.777   3.9278   9.6486   3.9750 2.128582 5.588244 
1 1 1   20   42    0 o   41.496   0.8319  1694.87   64.763  1719.13   82.035  1654.75  105.509   41.943   1.0076   41.049   1.3241 0.8940315 1.663869 
1 1 1   20   42    1 o   25.002   1.0389  624.450   49.631  683.575   66.781  551.500   74.179   26.382   1.3040   23.622   1.6177 2.760126 2.077851 
1 1 1   20   42    2 o   26.456   1.0080  684.911   51.375  654.544   67.970  725.380   78.466   25.795   1.3574   27.118   1.4906 -1.322674 2.016082 
1 1 1   20   42    3 o   24.298   1.1023  587.998   51.605  640.137   71.119  530.016   74.997   25.478   1.4380   23.119   1.6711 2.358686 2.204639 
1 1 1   20   42    4 o   26.789   1.0676  711.092   55.347  733.133   76.133  686.388   80.602   27.253   1.4391   26.326   1.5772 0.9273491 2.135118 
1 1 1   20   42    5 o   8.2354   2.2615   51.951   52.151   66.423   69.391   33.167   79.056   8.5781   3.1617   7.8926   3.2343 0.6855259 4.523000 
1 1 1   20   42    6 o   12.057   2.2651  159.649   53.720  159.456   72.194  159.889   80.410   12.082   3.0714   12.031   3.3300 0.5163765E-01 4.530157 
1 1 1   20   42    7 o   8.2359   2.2242   21.768   55.227 -50.2439   72.299  122.652   85.573   5.8100   2.6929   10.662   3.5406 -4.851794 4.448350 
1 1 1   20   42    8 o   23.537   1.6784  569.851   75.380  444.492  103.826  709.581  109.616   20.673   2.5872   26.401   2.1389 -5.727472 3.356862 
1 1 1   20   42    9 o   8.9212   2.6138   43.020   76.629 -11.2500  110.000   94.187  106.810   7.8849   3.5217   9.9574   3.8635 -2.072464 5.227651 
1 1 1   20   43    0 o   18.788   1.3592  354.518   49.205  385.202   67.794  320.362   71.528   19.691   1.7736   17.886   2.0602 1.805323 2.718439 
1 1 1   20   43    1 o   11.773   2.0457  151.907   47.058  182.730   63.208  113.580   70.485   13.193   2.5605   10.353   3.1911 2.839392 4.091352 
1 1 1   20   43    2 o   13.991   1.8251  204.469   47.624  190.361   64.553  221.319   70.547   13.458   2.5646   14.524   2.5976 -1.065607 3.650266 
1 1 1   20   43    3 o   6.7259   2.0396 -11.9945   51.545   42.313   69.307 -79.2133   77.107   7.8205   3.0891   5.6314   2.6641 2.189156 4.079171 
1 1 1   20   43    4 o   9.6611   2.2176   92.992   51.087  142.879   71.102   39.754   73.452   11.451   3.1157   7.8708   3.1566 3.580649 4.435284 
1 1 1   20   43    5 o   28.815   1.0436  820.552   57.594  812.177   75.394  832.287   89.247   28.684   1.3540   28.946   1.5883 -0.2620850 2.087114 
1 1 1   20   43    6 o   17.105   1.7314  315.367   53.315  362.798   69.893  249.361   82.450   19.000   1.8950   15.210   2.8983 3.789700 3.462852 
1 1 1   20   43    7 o   35.113   1.2428  1238.21   84.290  1258.83  114.301  1213.61  124.798   35.496   1.6589   34.731   1.8511 0.7647514 2.485629 
1 1 1   20   43    8 o   16.518   2.5692  307.453   80.391  231.697  106.701  406.918  122.262   14.028   3.8168   19.008   3.4402 -4.979983 5.138384 
1 1 1   20   44    0 o   27.671   0.9239  753.304   49.611  727.297   69.516  780.298   70.824   27.181   1.3175   28.160   1.2956 -0.9795017 1.847822 
1 1 1   20   44    1 o   19.605   1.3288  385.124   50.320  395.371   68.449  373.074   74.228   19.921   1.7700   19.288   1.9825 0.6329803 2.657688 
1 1 1   20   44    2 o   6.9029   2.0263   5.0602   48.245   54.246   65.686 -52.5507   71.090   8.0705   3.0552   5.7352   2.6625 2.335243 4.052557 
1 1 1   20   44    3 f   9.9781   2.0150   90.411   48.517   4.2358   66.171  190.599   71.349   6.6398   2.8527   13.316   2.8464 -6.676534 4.029923 
1 1 1   20   44    4 o   15.460   1.8603  261.727   52.121  317.372   69.548  190.433   78.722   17.744   2.0192   13.176   3.1251 4.567492 3.720618 
1 1 1   20   44    5 o   17.560   1.9342  323.108   64.200  370.517   94.341  282.217   87.616   18.922   2.5684   16.198   2.8927 2.724411 3.868376 
1 1 1   20   44    6 o   22.309   1.7788  511.780   76.557  440.253  103.677  597.545  113.528   20.562   2.5975   24.057   2.4311 -3.494684 3.557687 
1 1 1   20   44    7 o   10.093   2.7446   86.580   76.626   38.075  100.055  155.379  119.163   8.5096   3.5754   11.676   4.1651 -3.166096 5.489217 
1 1 1   20   44    8 f   16.875   2.3864  321.704   76.353  351.253  104.484  287.841  111.850   18.067   2.9792   15.683   3.7287 2.384169 4.772729 
1 1 1   20   45    0 o   26.116   1.6498  619.562   62.648  584.549   68.020  815.331  160.840   24.318   1.4409   27.914   2.9683 -3.595940 3.299507 
1 1 1   20   45    1 o   8.0077   2.1517   50.168   46.778   28.965   64.318   73.978   68.156   7.2232   2.9337   8.7922   3.1485 -1.568970 4.303484 
1 1 1   20   45    2 o   20.911   1.2299  432.484   49.677  381.476   66.934  495.035   74.121   19.542   1.7644   22.280   1.7138 -2.737345 2.459780 
1 1 1   20   45    3 o   14.252   1.8528  209.627   49.069  116.877   64.937  333.075   74.916   10.376   3.0329   18.128   2.1290 -7.751840 3.705575 
1 1 1   20   45    4 o   14.222   2.1623  234.371   58.724  145.772   91.387  296.686   76.642   11.425   3.6496   17.018   2.3200 -5.592482 4.324600 
1 1 1   20   45    5 o   25.597   1.5259  666.114   75.632  633.821  102.632  704.494  111.886   24.943   2.1197   26.252   2.1956 -1.308651 3.051831 
1 1 1   20   45    6 o   11.262   2.4677  121.994   76.004  262.578  102.750 -47.8646  112.942   15.097   3.5634   7.4264   3.4147 7.670328 4.935397 
1 1 1   20   46    0 o   30.296   1.3941  960.400   65.017  987.053   73.199  860.768  141.523   31.676   1.1904   28.916   2.5213 2.760395 2.788194 
1 1 1   20   46    1 o   21.735   2.0640  533.569   63.676  555.936   71.265  445.011  141.804   23.655   1.5520   19.815   3.8251 3.839285 4.127962 
1 1 1   20   46    2 o   19.794   1.9238  352.737   68.515  259.385   80.712  593.499  129.620   15.799   2.6318   23.790   2.8068 -7.991373 3.847686 
1 1 1   20   46    3 o   7.6302   2.3040   16.516   60.353   19.777   83.766   12.995   87.030   7.6472   3.2453   7.6132   3.2713 0.3403759E-01 4.607974 
1 1 1   20   46    4 o   8.7174   2.4491   41.232   67.514  115.846   94.280 -37.3014   96.724   10.413   3.7058   7.0223   3.2029 3.390317 4.898122 
1 1 1   20   46    5 o   10.712   2.4417   76.097   73.576 -74.2226   99.174  260.115  109.729   6.5615   3.0782   14.863   3.7912 -8.301373 4.883462 
1 1 1   20   47    0 o   5.7031   2.6930 -74.4830   78.131 -74.4830   78.131   0.0000   0.0000   5.7031   2.6930  ?   ?       ?      ? 
1 1 1   20   47    1 o   19.532   2.1881  389.466   82.964  389.466   82.964   0.0000   0.0000   19.532   2.1881  ?   ?       ?      ? 
1 1 1   20   47    2 f   8.9305   3.4237   71.420   83.144   71.420   83.144   0.0000   0.0000   8.9305   3.4237  ?   ?       ?      ? 
1 1 1   20   47    3 o   25.826   1.8420  673.497   92.344  673.497   92.344   0.0000   0.0000   25.826   1.8420  ?   ?       ?      ? 
1 1 1   20   47    4 o   13.920   2.5324  227.228   68.884  204.518  104.517  244.669   91.591   13.134   3.8502   14.706   3.2907 -1.571508 5.064845 
1 1 1   20   48    0 o   11.780   3.4770  158.237   84.976  158.237   84.976   0.0000   0.0000   11.780   3.4770  ?   ?       ?      ? 
1 1 1   20   48    1 f   12.714   3.1879  182.099   78.533  182.099   78.533   0.0000   0.0000   12.714   3.1879  ?   ?       ?      ? 
1 1 1   20   48    2 o   13.013   3.5164  195.818   90.937  195.818   90.937   0.0000   0.0000   13.013   3.5164  ?   ?       ?      ? 
1 1 1   20   49    0 o   6.9280   3.0978 -15.4566   85.377 -15.4566   85.377   0.0000   0.0000   6.9280   3.0978  ?   ?       ?      ? 
1 1 1   21    0    0 o   27.410   1.3130  740.090   69.013  687.578   96.447  795.187   98.793   26.390   1.9056   28.431   1.8068 -0.000000 0.000000 
1 1 1   21    0    1 o   73.678   5.5210  5576.18  766.776  5860.58  1128.69  5332.43  1044.92   75.412   7.9095   71.945   7.7050 -0.000000 0.000000 
1 1 1   21    0    2 f  121.998   1.4809 14469.72  349.182 14234.22  472.278 14753.68  518.604  120.919   2.0133  123.077   2.1722 -0.000000 0.000000 
1 1 1   21    0    3 o   35.132   1.1939  1200.66   80.703  1078.80  109.624  1344.86  119.244   33.180   1.7124   37.083   1.6641 -0.000000 0.000000 
1 1 1   21    0    4 o   35.548   1.2180  1244.52   83.029  1376.12  115.862  1105.59  119.046   37.526   1.5971   33.569   1.8395 -0.000000 0.000000 
1 1 1   21    0    5 o   66.376   1.0336  4280.59  132.889  4142.91  182.788  4434.94  193.537   65.246   1.4448   67.505   1.4785 -0.000000 0.000000 
1 1 1   21    0    6 o  142.090   1.7713 19682.83  488.088 19285.86  681.115 20101.86  699.785  140.619   2.4970  143.561   2.5128 -0.000000 0.000000 
1 1 1   21    0    7 o  110.162   1.4223 11815.36  303.769 11571.67  421.723 12078.14  437.923  108.984   1.9949  111.340   2.0277 -0.000000 0.000000 
1 1 1   21    0    8 o   82.193   1.1587  6575.65  184.525  6501.57  254.765  6657.40  267.626   81.711   1.6076   82.675   1.6691 -0.000000 0.000000 
1 1 1   21    0    9 o   18.780   2.3166  375.970   76.397  395.711  106.477  355.025  109.677   19.441   3.0442   18.119   3.4927 -0.000000 0.000000 
1 1 1   21    0   10 o   21.269   2.0358  451.561   78.100  377.435  100.418  565.051  124.251   19.001   2.9298   23.537   2.8275 -0.000000 0.000000 
1 1 1   21    0   11 o   10.749   3.3702  145.042   78.437   80.497   99.158  252.951  128.212   7.7391   4.3519   13.759   5.1473 -0.000000 0.000000 
1 1 1   21    0   12 o   6.9257   3.0085 -18.6447   78.946 -93.8585   97.121  127.847  135.541   4.4074   3.0801   9.4439   5.1690 -0.000000 0.000000 
1 1 1   21    0   13 o   8.6007   3.0558  101.730   77.586  167.257   93.838 -39.8473  137.932   10.974   4.4780   6.2271   4.1592 -0.000000 0.000000 
1 1 1   21    0   14 o   29.896   1.5631  897.981   80.112  906.974   94.776  875.476  149.932   30.349   1.6193   29.442   2.6741 -0.000000 0.000000 
1 1 1   21    0   15 o   7.4081   3.0347   71.842   70.807   92.784   82.409   12.773  138.400   7.8940   4.1166   6.9221   4.4599 -0.000000 0.000000 
1 1 1   21    0   16 o   24.787   2.3331  725.466   84.726  847.182  102.925  469.626  149.221   29.224   1.8308   20.351   4.2921 -0.000000 0.000000 
1 1 1   21    0   17 o   17.229   2.9460  320.120   84.838  194.747  104.792  558.591  144.526   11.678   4.7266   22.780   3.5180 -0.000000 0.000000 
1 1 1   21    0   18 o   12.603   3.5207  229.514   82.672  235.857  104.008  218.629  136.242   13.377   4.4870   11.828   5.4265 -0.000000 0.000000 
1 1 1   21    0   19 o   41.891   1.2984  1748.98  101.882  1771.37  129.704  1712.92  164.626   42.365   1.5822   41.418   2.0592 -0.000000 0.000000 
1 1 1   21    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    0 f   58.667   0.6779  3340.13   77.061  3290.18  105.514  3397.22  112.812   58.199   0.9340   59.136   0.9827 -0.9365311 1.355755 
1 1 1   21    1    1 o   66.323   0.7061  4267.16   90.833  4450.51  131.565  4100.17  125.560   67.682   1.0014   64.964   0.9957 2.718117 1.412136 
1 1 1   21    1    2 o   70.417   0.7294  4817.81   99.676  4800.13  139.238  4836.39  142.754   70.285   1.0205   70.548   1.0424 -0.2632217 1.458802 
1 1 1   21    1    3 o   20.728   1.2543  418.588   50.454  429.955   71.303  407.189   71.402   21.011   1.7482   20.445   1.7991 0.5659122 2.508612 
1 1 1   21    1    4 o   40.611   0.7571  1596.33   59.541  1696.90   87.979  1511.35   80.875   41.786   1.0846   39.436   1.0565 2.349342 1.514129 
1 1 1   21    1    5 o   56.289   0.7065  3079.53   77.179  3029.78  109.704  3128.29  108.598   55.838   1.0121   56.740   0.9860 -0.9022064 1.412989 
1 1 1   21    1    6 o   75.762   0.7790  5579.24  114.566  5632.25  162.810  5527.25  161.242   76.118   1.1019   75.406   1.1016 0.7128525 1.558058 
1 1 1   21    1    7 o   78.271   0.7971  5956.33  121.102  5899.86  170.523  6013.80  172.013   77.897   1.1277   78.646   1.1267 -0.7487564 1.594138 
1 1 1   21    1    8 o   47.456   0.7607  2189.81   70.071  2170.05   98.560  2209.99   99.639   47.239   1.0748   47.672   1.0767 -0.4325562 1.521357 
1 1 1   21    1    9 f   17.488   1.6122  301.988   54.206  347.758   76.383  255.552   76.937   18.847   2.0878   16.129   2.4573 2.717413 3.224463 
1 1 1   21    1   10 o   67.205   0.7706  4395.03  100.524  4367.65  140.918  4423.40  143.441   66.993   1.0836   67.417   1.0961 -0.4241180 1.541283 
1 1 1   21    1   11 o   6.4193   1.9983 -36.9761   52.142   21.016   69.692 -110.7121   78.585   7.4305   3.0399   5.4082   2.5945 2.022230 3.996566 
1 1 1   21    1   12 o   48.637   0.7584  2303.49   71.502  2317.79  104.068  2290.71   98.408   48.776   1.0991   48.499   1.0453 0.2770920 1.516816 
1 1 1   21    1   13 o   51.875   0.7712  2621.06   77.500  2653.42  113.593  2592.88  106.004   52.168   1.1217   51.582   1.0587 0.5858040 1.542420 
1 1 1   21    1   14 o   14.744   2.0208  221.539   56.436  279.905   83.045  171.452   76.930   16.729   2.5573   12.759   3.1297 3.969298 4.041646 
1 1 1   21    1   15 o   18.777   1.5757  351.117   56.603  435.290   82.739  277.065   77.606   20.931   2.0364   16.623   2.4050 4.307711 3.151316 
1 1 1   21    1   16 o   42.598   0.8314  1781.52   68.528  1695.14   99.409  1859.74   94.596   41.594   1.2312   43.603   1.1176 -2.008724 1.662810 
1 1 1   21    1   17 f   42.701   0.8490  1788.91   70.359  1785.78  100.326  1791.93   98.700   42.660   1.2115   42.741   1.1896 -0.8176041E-01 1.697920 
1 1 1   21    1   18 o   30.227   1.0103  902.842   59.185  904.806   81.479  900.648   86.113   30.278   1.3863   30.177   1.4700 0.1008282 2.020612 
1 1 1   21    1   19 o   7.9053   2.3153   20.089   60.072 -24.9371   81.979   72.303   88.281   6.6824   3.0080   9.1281   3.5205 -2.445729 4.630585 
1 1 1   21    1   20 o   11.302   4.0963  143.367  115.781  143.367  115.781   0.0000   0.0000   11.302   4.0963  ?   ?       ?      ? 
1 1 1   21    2    0 o   29.100   0.8536  822.331   48.196  859.289   69.215  787.546   67.150   29.734   1.1991   28.466   1.2152 1.268850 1.707265 
1 1 1   21    2    1 o   46.391   0.7076  2091.80   63.697  2151.91   89.738  2030.76   90.429   47.064   0.9823   45.718   1.0189 1.345642 1.415298 
1 1 1   21    2    2 o   88.613   0.8350  7633.04  143.623  7645.65  202.253  7620.20  203.986   88.688   1.1748   88.539   1.1869 0.1491089 1.669979 
1 1 1   21    2    3 o   52.724   0.6976  2700.49   71.380  2617.09  100.247  2786.25  101.661   51.898   0.9951   53.550   0.9780 -1.651981 1.395220 
1 1 1   21    2    4 o   11.460   2.1619  133.522   49.255  150.951   68.786  115.182   70.562   12.172   2.9435   10.748   3.1672 1.423607 4.323835 
1 1 1   21    2    5 o   87.255   0.8350  7398.49  141.399  7581.77  202.333  7223.52  197.684   88.310   1.1803   86.199   1.1814 2.111763 1.669989 
1 1 1   21    2    6 o   59.220   0.7098  3408.06   81.599  3382.49  114.975  3434.01  115.827   58.996   1.0040   59.444   1.0038 -0.4476013 1.419683 
1 1 1   21    2    7 o   69.417   0.7504  4684.24  101.114  4641.06  142.723  4727.75  143.272   69.095   1.0641   69.738   1.0583 -0.6429214 1.500796 
1 1 1   21    2    8 o   46.001   0.7825  2055.97   69.840  1984.33   97.025  2133.01  100.609   45.170   1.1065   46.831   1.1067 -1.661633 1.565013 
1 1 1   21    2    9 o   26.615   1.0568  690.516   54.545  688.938   75.486  692.241   78.904   26.585   1.4627   26.644   1.5256 -0.5865288E-01 2.113508 
1 1 1   21    2   10 o   29.964   1.0369  874.132   60.252  840.326   82.987  911.819   87.621   29.354   1.4564   30.575   1.4763 -1.221193 2.073787 
1 1 1   21    2   11 o   17.272   1.5389  291.418   50.815  367.334   75.093  227.290   69.017   19.351   1.9991   15.192   2.3403 4.159065 3.077864 
1 1 1   21    2   12 o   32.607   0.9355  1037.00   59.195  1014.12   82.473  1061.32   85.013   32.237   1.3179   32.977   1.3280 -0.7402115 1.870999 
1 1 1   21    2   13 o   29.011   1.0526  823.505   59.107  823.867   80.625  823.083   86.909   29.027   1.4309   28.996   1.5441 0.3140831E-01 2.105125 
1 1 1   21    2   14 o   32.794   0.9850  1053.94   62.648  1106.08   88.612  1001.83   88.583   33.613   1.3581   31.975   1.4271 1.637548 1.970045 
1 1 1   21    2   15 o   27.165   1.1380  726.037   59.738  636.355   82.820  823.295   86.248   25.401   1.6797   28.929   1.5358 -3.528845 2.275991 
1 1 1   21    2   16 o   29.697   1.0528  872.007   60.302  913.334   82.067  823.510   88.902   30.492   1.3865   28.901   1.5846 1.590998 2.105556 
1 1 1   21    2   17 o   8.0899   2.3144   37.195   56.194   27.965   75.910   48.385   83.583   7.6896   3.1623   8.4902   3.3800 -0.8006668 4.628713 
1 1 1   21    2   18 o   14.535   2.0152  239.094   56.221   99.752   80.703  370.484   78.366   9.9029   3.4362   19.166   2.1063 -9.263427 4.030410 
1 1 1   21    2   19 o   24.014   1.3176  590.242   60.162  500.000   89.613  664.287   81.175   22.211   2.0785   25.817   1.6198 -3.606009 2.635121 
1 1 1   21    2   20 o   20.254   2.5316  429.279   99.535  429.279   99.535   0.0000   0.0000   20.254   2.5316  ?   ?       ?      ? 
1 1 1   21    3    0 o   86.580   0.7960  7283.29  133.766  7233.31  187.227  7335.40  191.181   86.277   1.1179   86.882   1.1336 -0.6052704 1.592078 
1 1 1   21    3    1 o   49.883   0.6855  2417.41   66.375  2414.28   93.447  2420.60   94.294   49.851   0.9657   49.916   0.9732 -0.6477737E-01 1.370963 
1 1 1   21    3    2 o   58.429   0.6919  3317.49   78.464  3265.26  111.219  3369.25  110.712   57.971   0.9883   58.888   0.9685 -0.9170837 1.383776 
1 1 1   21    3    3 o  110.021   0.9529 11774.75  203.456 11875.31  285.107 11670.41  290.428  110.502   1.3291  109.539   1.3659 0.9635849 1.905830 
1 1 1   21    3    4 o   97.356   0.9022  9205.77  170.399  8932.71  235.807  9504.18  246.510   95.848   1.2674   98.864   1.2845 -3.016052 1.804480 
1 1 1   21    3    5 o   75.176   0.7691  5492.37  112.223  5459.66  157.204  5526.36  160.255   74.949   1.0805   75.404   1.0948 -0.4550095 1.538251 
1 1 1   21    3    6 o   47.477   0.7350  2190.34   67.717  2175.67   94.367  2205.93   97.229   47.314   1.0275   47.640   1.0514 -0.3263626 1.470066 
1 1 1   21    3    7 o   9.2076   2.1213   58.754   52.337 -35.4102   75.408  146.268   72.697   6.4419   2.8937   11.973   3.1026 -5.531272 4.242551 
1 1 1   21    3    8 o   77.480   0.7926  5837.42  119.180  5766.45  166.556  5911.87  170.609   76.999   1.1143   77.962   1.1273 -0.9629440 1.585121 
1 1 1   21    3    9 f   41.213   0.8069  1654.97   64.320  1679.53   87.716  1626.41   94.597   41.549   1.0876   40.877   1.1922 0.6721420 1.613713 
1 1 1   21    3   10 o   30.906   0.9475  932.705   56.686  960.432   78.059  901.769   82.453   31.398   1.2807   30.413   1.3966 0.9847450 1.894930 
1 1 1   21    3   11 o   34.326   0.9134  1147.26   60.796  1075.74   84.451  1224.19   87.591   33.215   1.3098   35.437   1.2733 -2.222290 1.826713 
1 1 1   21    3   12 o   52.498   0.7760  2686.58   79.033  2748.63  110.813  2622.33  112.751   53.120   1.0747   51.877   1.1197 1.242790 1.551937 
1 1 1   21    3   13 o   19.697   1.4340  384.872   54.210  402.874   72.523  362.079   81.607   20.248   1.8451   19.146   2.1957 1.101454 2.868045 
1 1 1   21    3   14 o   14.525   1.8575  215.912   50.697  223.571   67.810  206.205   76.338   14.986   2.3310   14.065   2.8926 0.9210186 3.714962 
1 1 1   21    3   15 o   25.561   1.0966  637.515   54.140  589.792   72.297  698.446   81.693   24.488   1.5209   26.634   1.5801 -2.146364 2.193160 
1 1 1   21    3   16 o   26.744   1.1370  704.904   59.004  681.317   82.035  730.183   84.927   26.281   1.6080   27.208   1.6080 -0.9261780 2.274076 
1 1 1   21    3   17 o   30.790   1.0457  936.377   62.418  961.450   86.882  909.632   89.733   31.232   1.4331   30.348   1.5232 0.8834171 2.091370 
1 1 1   21    3   18 o   26.648   1.2193  705.779   62.891  635.081   86.932  783.416   91.098   25.231   1.7750   28.065   1.6721 -2.834888 2.438545 
1 1 1   21    3   19 o   9.0709   2.3193   71.928   57.028  126.188   77.616   8.2705   84.068   10.720   3.3560   7.4220   3.2022 3.297763 4.638641 
1 1 1   21    3   20 o   11.442   4.0203  149.611  110.634  149.611  110.634   0.0000   0.0000   11.442   4.0203  ?   ?       ?      ? 
1 1 1   21    4    0 o   71.327   0.7255  4943.11  100.447  4964.74  141.479  4921.13  142.635   71.485   1.0196   71.170   1.0324 0.3155212 1.451012 
1 1 1   21    4    1 o   37.710   0.7465  1381.58   54.557  1385.94   79.534  1377.71   74.978   37.765   1.0849   37.655   1.0257 0.1097794 1.493046 
1 1 1   21    4    2 o   77.624   0.7645  5856.22  115.160  5870.81  160.973  5840.92  164.815   77.724   1.0669   77.524   1.0952 0.2007446 1.528988 
1 1 1   21    4    3 o   59.336   0.7062  3421.65   81.321  3465.54  114.421  3376.84  115.597   59.721   0.9870   58.951   1.0102 0.7707558 1.412300 
1 1 1   21    4    4 o   74.144   0.7661  5341.87  110.254  5407.70  157.100  5277.98  154.772   74.594   1.0849   73.694   1.0819 0.8998566 1.532208 
1 1 1   21    4    5 o   18.854   1.4910  355.497   52.283  475.981   74.400  237.953   73.487   22.105   1.7338   15.603   2.4262 6.502477 2.982099 
1 1 1   21    4    6 o   53.306   0.7276  2761.90   75.280  2794.62  106.342  2729.02  106.583   53.623   1.0216   52.989   1.0362 0.6340599 1.455115 
1 1 1   21    4    7 o   48.344   0.7410  2271.74   69.454  2268.18   95.899  2275.66  100.725   48.306   1.0227   48.382   1.0725 -0.7605743E-01 1.481949 
1 1 1   21    4    8 o   73.491   0.7646  5250.50  109.045  5180.55  151.829  5325.01  156.712   72.987   1.0716   73.995   1.0910 -1.008003 1.529288 
1 1 1   21    4    9 o   58.983   0.7445  3379.96   85.114  3311.00  116.656  3458.45  124.462   58.343   1.0300   59.623   1.0754 -1.279167 1.489088 
1 1 1   21    4   10 o   32.501   0.8893  1031.06   55.993  1089.30   78.388  970.395   80.009   33.445   1.2074   31.558   1.3061 1.887066 1.778680 
1 1 1   21    4   11 o   25.780   1.1501  645.344   57.240  610.588   76.308  690.064   86.558   24.998   1.5726   26.562   1.6787 -1.564728 2.300210 
1 1 1   21    4   12 o   78.515   0.8207  6008.46  125.064  5990.62  175.463  6026.89  178.305   78.398   1.1530   78.631   1.1682 -0.2326126 1.641318 
1 1 1   21    4   13 o   16.580   1.6158  275.603   51.064  248.614   77.572  296.241   67.834   15.819   2.5262   17.341   2.0152 -1.521779 3.231520 
1 1 1   21    4   14 o   43.439   0.8036  1839.30   67.592  1889.13   99.718  1796.95   91.935   43.974   1.1682   42.903   1.1039 1.071419 1.607242 
1 1 1   21    4   15 o   9.9593   2.3584   98.995   53.758   88.036   80.509  107.813   72.215   9.6763   3.4265   10.242   3.2414 -0.5659370 4.716732 
1 1 1   21    4   16 o   40.743   0.8400  1633.29   66.099  1515.71   96.027  1739.17   91.123   39.321   1.2581   42.165   1.1133 -2.844273 1.679916 
1 1 1   21    4   17 o   7.7739   2.1950   7.9626   56.036   92.358   81.176 -68.8639   77.450   9.7316   3.4413   5.8163   2.7259 3.915361 4.390099 
1 1 1   21    4   18 o   9.5650   2.3684   90.074   55.257  115.566   77.342   63.495   78.976   10.411   3.3608   8.7187   3.3381 1.692545 4.736873 
1 1 1   21    4   19 o   9.8071   2.4747   97.194   59.575   83.773   82.115  112.108   86.564   9.3271   3.4392   10.287   3.5594 -0.9598904 4.949475 
1 1 1   21    4   20 o   23.393   2.5564  573.591  116.088  573.591  116.088   0.0000   0.0000   23.393   2.5564  ?   ?       ?      ? 
1 1 1   21    5    0 o   71.110   0.7249  4913.18  100.053  4868.49  141.812  4957.47  141.183   70.787   1.0320   71.432   1.0182 -0.6449509 1.449749 
1 1 1   21    5    1 o   28.559   0.9233  792.800   51.175  771.315   71.718  815.088   73.044   28.165   1.3118   28.953   1.2996 -0.7886429 1.846554 
1 1 1   21    5    2 o   73.446   0.7359  5242.22  104.913  5280.88  148.247  5203.43  148.491   73.718   1.0360   73.175   1.0454 0.5433960 1.471751 
1 1 1   21    5    3 o  161.500   1.3537 25443.97  423.682 25907.77  585.725 24934.98  613.601  163.067   1.8504  159.933   1.9764 3.133804 2.707445 
1 1 1   21    5    4 o  134.794   1.1638 17689.70  304.327 17712.17  422.831 17665.54  438.354  134.891   1.6148  134.698   1.6765 0.1930084 2.327699 
1 1 1   21    5    5 o   57.982   0.7006  3265.90   78.842  3214.49  110.252  3319.72  112.790   57.515   0.9875   58.449   0.9941 -0.9333878 1.401216 
1 1 1   21    5    6 o   53.877   0.6950  2820.96   72.682  2841.00  102.814  2800.93  102.763   54.069   0.9796   53.686   0.9861 0.3831635 1.389936 
1 1 1   21    5    7 o   62.211   0.7178  3763.15   86.514  3780.76  118.786  3743.26  126.253   62.369   0.9811   62.053   1.0481 0.3162384 1.435693 
1 1 1   21    5    8 o   30.849   0.9591  924.152   57.185  901.412   76.968  952.173   85.437   30.430   1.3030   31.267   1.4076 -0.8373795 1.918125 
1 1 1   21    5    9 o   17.052   1.6140  291.872   50.005  197.849   68.861  396.761   72.732   13.956   2.6384   20.147   1.8598 -6.190211 3.227997 
1 1 1   21    5   10 o   55.995   0.7547  3056.78   81.866  3160.88  113.436  2943.63  118.268   56.997   1.0253   54.992   1.1079 2.004894 1.509495 
1 1 1   21    5   11 o   38.049   0.8318  1400.53   61.122  1317.55   81.577  1506.74   92.291   36.778   1.1427   39.321   1.2091 -2.543522 1.663621 
1 1 1   21    5   12 o   23.922   1.1485  560.833   53.255  579.841   74.239  540.681   76.438   24.346   1.5708   23.497   1.6758 0.8491650 2.296936 
1 1 1   21    5   13 o   12.670   2.2270  168.093   54.574  177.369   75.579  157.986   78.887   13.045   3.0408   12.296   3.2543 0.7489367 4.453912 
1 1 1   21    5   14 o   21.946   1.3262  477.703   56.210  511.276   77.680  440.801   81.440   22.782   1.7565   21.110   1.9874 1.671856 2.652400 
1 1 1   21    5   15 o   12.126   2.3013  157.867   57.087  204.762   79.172  107.082   82.391   13.913   3.0183   10.340   3.4748 3.572663 4.602689 
1 1 1   21    5   16 o   35.099   0.9411  1205.82   63.929  1168.23   86.587  1250.87   94.788   34.510   1.2925   35.687   1.3683 -1.176987 1.882240 
1 1 1   21    5   17 o   14.995   1.9076  228.801   53.772  182.742   70.972  290.869   82.390   13.085   2.8728   16.905   2.5106 -3.819882 3.815271 
1 1 1   21    5   18 o   16.554   1.7713  280.992   56.898  276.318   81.059  285.531   79.885   16.404   2.5456   16.704   2.4637 -0.3002720 3.542573 
1 1 1   21    5   19 o   14.479   2.1143  228.412   56.995  231.775   86.969  225.881   75.456   14.475   3.1820   14.483   2.7850 -0.8834839E-02 4.228612 
1 1 1   21    5   20 o   9.8670   2.7287   87.622   79.859  135.094  100.089   4.4583  132.477   10.972   3.8256   8.7616   3.8921 2.210760 5.457448 
1 1 1   21    6    0 o  147.594   1.1802 21210.70  337.721 21394.65  467.234 21009.45  488.709  148.276   1.6233  146.913   1.7137 1.362732 2.360456 
1 1 1   21    6    1 o   31.392   0.8507  958.201   51.828  977.700   73.069  938.459   73.524   31.714   1.1869   31.070   1.2191 0.6442356 1.701409 
1 1 1   21    6    2 o   48.608   0.6841  2295.53   64.535  2354.95   91.664  2237.13   90.874   49.232   0.9591   47.984   0.9756 1.248207 1.368135 
1 1 1   21    6    3 o   87.018   1.0013  7343.57  158.617  7301.98  193.011  7430.09  278.389   86.673   1.1472   87.363   1.6416 -0.6898956 2.002694 
1 1 1   21    6    4 o   29.669   0.9703  856.927   55.798  870.719   77.148  841.798   80.799   29.922   1.3282   29.417   1.4150 0.5050907 1.940692 
1 1 1   21    6    5 o   91.410   0.8660  8121.40  153.639  8350.86  219.768  7902.06  214.870   92.673   1.2217   90.148   1.2279 2.525436 1.732088 
1 1 1   21    6    6 o   51.629   0.7238  2591.30   72.405  2600.14   99.523  2581.35  105.534   51.725   0.9912   51.533   1.0550 0.1916656 1.447554 
1 1 1   21    6    7 o   20.808   1.3405  427.658   53.239  513.474   74.954  340.278   75.634   22.953   1.6823   18.664   2.0876 4.288799 2.681093 
1 1 1   21    6    8 f   42.154   0.7862  1728.36   63.862  1727.40   85.307  1729.59   96.323   42.146   1.0427   42.162   1.1769 -0.1545715E-01 1.572371 
1 1 1   21    6    9 o   71.284   0.7669  4943.35  105.932  4931.89  145.396  4956.31  154.653   71.201   1.0520   71.367   1.1163 -0.1656723 1.533893 
1 1 1   21    6   10 o   59.421   0.9851  3409.83  100.903  3371.82  117.814  3514.45  195.465   58.867   1.0310   59.975   1.6789 -1.107933 1.970238 
1 1 1   21    6   11 o   13.546   1.9785  194.900   51.840   96.892   74.614  286.358   72.078   10.029   3.3050   17.063   2.1761 -7.034129 3.957025 
1 1 1   21    6   12 o   43.886   0.7904  1882.77   67.030  1949.67   91.555  1805.47   98.407   44.739   1.0542   43.034   1.1780 1.705433 1.580853 
1 1 1   21    6   13 o   23.463   1.1823  541.646   52.720  548.167   68.203  531.966   83.099   23.665   1.4847   23.260   1.8404 0.4046593 2.364600 
1 1 1   21    6   14 o   11.274   2.2494  134.219   53.393  175.758   72.739   85.689   78.622   12.940   2.9601   9.6087   3.3879 3.330769 4.498891 
1 1 1   21    6   15 o   16.900   1.6506  291.957   52.916  325.657   70.740  249.141   79.736   18.098   2.0136   15.702   2.6160 2.396293 3.301192 
1 1 1   21    6   16 o   25.468   1.1797  640.883   58.315  644.704   81.935  636.960   83.014   25.549   1.6521   25.387   1.6845 0.1626186 2.359437 
1 1 1   21    6   17 o   30.857   1.0751  940.794   64.396  939.439   91.347  942.134   90.796   30.832   1.5262   30.881   1.5147 -0.4836082E-01 2.150247 
1 1 1   21    6   18 o   22.280   1.4312  499.763   61.813  502.369   85.382  496.894   89.604   22.363   1.9668   22.197   2.0795 0.1663151 2.862320 
1 1 1   21    6   19 o   14.933   2.0494  235.761   57.916  180.573   77.659  304.922   86.936   12.751   3.1547   17.114   2.6169 -4.362548 4.098827 
1 1 1   21    6   20 o   13.520   2.9392  227.516   87.710  273.022  113.849  161.070  137.572   15.174   3.8568   11.866   4.4364 3.308400 5.878474 
1 1 1   21    7    0 o   55.430   0.6936  2984.55   74.618  3054.36  106.236  2916.57  104.829   56.070   0.9761   54.790   0.9856 1.279778 1.387142 
1 1 1   21    7    1 o   80.954   0.7756  6369.73  121.872  6406.74  171.399  6331.88  173.323   81.193   1.0875   80.715   1.1062 0.4776154 1.551229 
1 1 1   21    7    2 o   47.855   0.6935  2219.84   64.267  2153.66   87.388  2297.79   94.845   47.081   0.9562   48.628   1.0048 -1.547295 1.387013 
1 1 1   21    7    3 o  129.179   1.0772 16243.82  269.999 16453.42  377.616 16024.57  386.202  130.038   1.4959  128.320   1.5504 1.717728 2.154461 
1 1 1   21    7    4 o  149.975   1.2065 21900.38  350.560 21847.32  480.625 21960.71  512.437  149.796   1.6529  150.154   1.7581 -0.3573914 2.413061 
1 1 1   21    7    5 o   60.237   0.7298  3526.05   85.305  3514.08  118.991  3538.70  122.360   60.133   1.0194   60.341   1.0446 -0.2082977 1.459590 
1 1 1   21    7    6 o   36.746   0.8593  1313.55   61.159  1319.29   83.877  1307.03   89.366   36.835   1.1731   36.658   1.2558 0.1764641 1.718505 
1 1 1   21    7    7 o   42.606   0.7920  1756.67   65.339  1641.56   88.680  1893.35   96.638   41.087   1.1119   44.124   1.1282 -3.037376 1.584055 
1 1 1   21    7    8 o   22.674   1.1365  500.791   49.953  464.613   69.484  539.489   71.864   21.825   1.6401   23.523   1.5738 -1.697567 2.273026 
1 1 1   21    7    9 o   36.221   0.8682  1278.67   60.496  1286.93   80.490  1267.96   91.714   36.363   1.1403   36.078   1.3096 0.2848129 1.736426 
1 1 1   21    7   10 f   30.594   1.3085  815.584   66.037  737.344   74.172  1114.73  145.032   27.498   1.3895   33.690   2.2177 -6.191841 2.617014 
1 1 1   21    7   11 o   24.565   1.1996  595.859   56.610  640.972   76.745  542.017   83.842   25.611   1.5437   23.518   1.8365 2.092842 2.399114 
1 1 1   21    7   12 o   30.428   1.0021  903.321   59.148  869.883   81.818  939.927   85.606   29.840   1.4125   31.017   1.4218 -1.176779 2.004159 
1 1 1   21    7   13 o   36.076   0.8572  1273.19   59.896  1189.65   85.408  1354.05   84.020   34.901   1.2607   37.252   1.1619 -2.351044 1.714424 
1 1 1   21    7   14 o   26.168   1.1212  672.909   56.945  656.050   80.095  690.141   80.976   25.834   1.5971   26.502   1.5740 -0.6675262 2.242430 
1 1 1   21    7   15 o   29.142   1.0170  830.878   57.293  874.893   85.768  795.412   76.990   29.825   1.4815   28.459   1.3936 1.365360 2.033933 
1 1 1   21    7   16 o   14.848   1.9925  237.528   54.934  171.603   81.600  292.170   74.290   12.625   3.2947   17.072   2.2417 -4.447353 3.985009 
1 1 1   21    7   17 o   9.3312   2.2999   83.478   53.257   43.234   79.415  116.369   71.795   8.2021   3.2848   10.460   3.2200 -2.258196 4.599837 
1 1 1   21    7   18 o   18.317   1.5203  337.370   53.842  317.588   72.330  361.956   80.634   17.735   2.1009   18.899   2.1979 -1.163851 3.040502 
1 1 1   21    7   19 o   6.5023   2.1408 -83.6170   69.122 -179.1663  105.788 -12.4337   91.309   5.7394   2.8117   7.2653   3.2291 -1.525843 4.281656 
1 1 1   21    8    0 o  132.750   1.0956 17146.57  281.957 17123.49  388.956 17172.13  409.317  132.664   1.5104  132.835   1.5874 -0.1714935 2.191116 
1 1 1   21    8    1 o   32.071   0.8460  1001.15   52.480  1015.67   71.557  984.245   77.199   32.325   1.1404   31.817   1.2500 0.5087223 1.691980 
1 1 1   21    8    2 o  103.051   0.9052 10327.76  181.020 10399.44  253.557 10253.26  258.518  103.418   1.2630  102.684   1.2970 0.7344360 1.810337 
1 1 1   21    8    3 o   33.023   0.8598  1070.54   54.572  930.249   78.993  1198.63   75.480   30.929   1.3157   35.118   1.1072 -4.189028 1.719614 
1 1 1   21    8    4 o   20.722   1.3493  425.542   52.426  562.339   75.144  295.804   73.179   24.034   1.6107   17.410   2.1653 6.623953 2.698687 
1 1 1   21    8    5 o   63.069   0.7209  3863.19   88.218  3952.70  127.060  3779.89  122.578   63.774   1.0264   62.365   1.0125 1.408493 1.441749 
1 1 1   21    8    6 o   72.053   0.7696  5045.86  107.621  5184.76  153.365  4911.10  151.060   73.030   1.0818   71.075   1.0949 1.954758 1.539194 
1 1 1   21    8    7 o   52.408   0.7477  2674.10   75.613  2705.20  101.866  2635.94  112.839   52.753   0.9948   52.063   1.1165 0.6902199 1.495384 
1 1 1   21    8    8 o   14.957   1.8855  225.961   52.911  242.344   71.335  205.925   78.891   15.721   2.3376   14.194   2.9591 1.526459 3.771003 
1 1 1   21    8    9 o   36.513   0.8592  1291.57   60.732  1210.93   82.235  1388.32   90.077   35.267   1.2012   37.759   1.2289 -2.492249 1.718477 
1 1 1   21    8   10 o   58.105   0.7403  3287.72   83.307  3314.93  114.247  3256.82  121.736   58.368   1.0083   57.843   1.0842 0.5251465 1.480613 
1 1 1   21    8   11 f   25.083   1.1572  621.578   55.444  655.525   73.428  576.554   84.564   25.908   1.4601   24.258   1.7958 1.649120 2.314454 
1 1 1   21    8   12 f   28.851   0.9690  815.109   54.081  739.882   76.708  889.454   76.258   27.516   1.4361   30.187   1.3014 -2.671701 1.938048 
1 1 1   21    8   13 o   8.4776   2.2895   52.547   52.522   60.194   74.898   45.148   73.671   8.7283   3.2714   8.2270   3.2040 0.5013685 4.579058 
1 1 1   21    8   14 o   36.781   1.0481  1324.59   71.708  1316.71   89.349  1338.85  120.201   36.685   1.2547   36.876   1.6792 -0.1911545 2.096145 
1 1 1   21    8   15 f   27.894   1.1120  767.920   60.114  796.997   83.758  737.031   86.328   28.455   1.5164   27.334   1.6270 1.120255 2.224059 
1 1 1   21    8   16 o   15.491   1.9014  245.135   55.663  211.367   75.081  286.345   82.943   14.164   2.8297   16.818   2.5406 -2.653937 3.802856 
1 1 1   21    8   17 o   22.451   1.3284  501.680   57.804  466.225   79.548  541.345   84.139   21.607   1.8965   23.295   1.8607 -1.687981 2.656862 
1 1 1   21    8   18 o   11.629   2.3804  148.014   56.748  166.260   84.059  132.734   76.922   12.236   3.4110   11.021   3.3210 1.214811 4.760734 
1 1 1   21    8   19 o   31.667   1.1488  1005.37   68.602  983.849  110.205  1018.98   87.657   31.279   1.8150   32.055   1.4087 -0.7761288 2.297551 
1 1 1   21    9    0 o   68.619   0.7134  4573.95   94.937  4547.95  131.188  4602.53  137.562   68.416   0.9878   68.822   1.0297 -0.4061279 1.426890 
1 1 1   21    9    1 f   96.395   0.8623  9032.70  161.320  8980.64  225.453  9087.32  230.926   96.112   1.2084   96.678   1.2305 -0.5662613 1.724633 
1 1 1   21    9    2 o   83.775   0.8071  6821.80  131.253  6831.00  184.878  6812.44  186.372   83.832   1.1361   83.717   1.1468 0.1151047 1.614281 
1 1 1   21    9    3 o   49.348   0.7185  2365.76   68.803  2346.32   95.840  2386.43   98.834   49.139   1.0047   49.556   1.0274 -0.4168968 1.437035 
1 1 1   21    9    4 o   26.696   1.0658  690.255   55.028  656.875   74.097  731.304   82.168   25.981   1.4692   27.410   1.5443 -1.428772 2.131501 
1 1 1   21    9    5 o   38.117   0.8099  1414.85   59.781  1451.79   82.403  1373.81   86.858   38.646   1.0984   37.588   1.1904 1.057163 1.619763 
1 1 1   21    9    6 o   46.603   0.7346  2110.40   66.424  2090.12   92.284  2132.21   95.684   46.371   1.0252   46.834   1.0525 -0.4626274 1.469262 
1 1 1   21    9    7 o   62.632   0.7344  3814.14   89.184  3815.75  123.241  3812.37  129.221   62.648   1.0134   62.615   1.0631 0.3294754E-01 1.468752 
1 1 1   21    9    8 o   53.869   0.7490  2817.12   78.085  2754.73  105.870  2891.54  115.633   53.220   1.0248   54.518   1.0926 -1.297935 1.497997 
1 1 1   21    9    9 o   24.231   1.1169  570.673   52.295  498.680   71.715  652.426   76.422   22.601   1.6346   25.861   1.5223 -3.260283 2.233712 
1 1 1   21    9   10 o   20.044   1.4565  388.738   56.234  331.610   75.007  462.064   84.979   18.381   2.1021   21.707   2.0167 -3.325970 2.913075 
1 1 1   21    9   11 o   34.008   0.8694  1127.54   57.385  1150.17   81.485  1105.27   80.829   34.348   1.2221   33.669   1.2367 0.6789436 1.738713 
1 1 1   21    9   12 o   6.9758   2.1163  -3.3417   51.195 -16.9798   68.449   13.974   77.127   6.4102   2.8249   7.5414   3.1520 -1.131218 4.232629 
1 1 1   21    9   13 o   79.549   0.8217  6173.98  126.818  6095.42  176.006  6258.80  182.889   79.029   1.1473   80.069   1.1767 -1.040688 1.643428 
1 1 1   21    9   14 o   64.130   0.7693  4014.57   95.666  3978.47  132.089  4054.39  138.741   63.835   1.0660   64.425   1.1094 -0.5904198 1.538516 
1 1 1   21    9   15 o   25.784   1.1354  653.589   56.611  633.450   76.319  678.225   84.410   25.358   1.5504   26.211   1.6590 -0.8529396 2.270712 
1 1 1   21    9   16 o   14.558   2.0599  224.212   56.892  272.447   79.769  174.272   81.166   16.407   2.5046   12.708   3.2709 3.698411 4.119718 
1 1 1   21    9   17 o   12.483   2.3142  169.843   57.633  131.165   80.665  210.177   82.374   11.034   3.4158   13.932   3.1231 -2.897566 4.628392 
1 1 1   21    9   18 o   17.707   1.9228  352.655   59.286  478.969   80.656  204.192   87.442   21.847   1.9018   13.566   3.3423 8.281834 3.845522 
1 1 1   21    9   19 o   26.697   1.6957  737.111   84.069  740.097  105.092  731.804  140.104   27.015   2.0040   26.379   2.7361 0.6362667 3.391491 
1 1 1   21   10    0 o   45.277   0.8282  2014.00   70.124  1911.01  114.305  2076.16   88.798   44.329   1.3284   46.225   0.9896 -1.896149 1.656467 
1 1 1   21   10    1 o  108.340   0.9456 11417.80  198.784 11514.49  277.919 11316.53  284.441  108.813   1.3157  107.867   1.3584 0.9463959 1.891177 
1 1 1   21   10    2 o  107.083   0.9402 11152.43  195.313 11181.65  271.531 11121.10  281.148  107.232   1.3045  106.933   1.3544 0.2986069 1.880450 
1 1 1   21   10    3 o  110.695   0.9654 11922.52  207.331 12073.60  289.762 11764.03  296.786  111.418   1.3397  109.972   1.3903 1.446327 1.930734 
1 1 1   21   10    4 o  126.482   1.0879 15572.78  267.078 15618.73  374.849 15525.40  380.627  126.675   1.5244  126.289   1.5526 0.3856964 2.175887 
1 1 1   21   10    5 o   82.328   0.8173  6582.83  130.395  6471.10  178.690  6710.09  190.709   81.585   1.1283   83.072   1.1826 -1.486137 1.634531 
1 1 1   21   10    6 o   34.254   0.8862  1135.20   58.334  1099.68   76.690  1183.97   89.861   33.627   1.1749   34.882   1.3271 -1.255493 1.772428 
1 1 1   21   10    7 o   40.482   0.8013  1599.08   62.657  1653.03   85.369  1536.07   92.253   41.229   1.0667   39.734   1.1961 1.495163 1.602600 
1 1 1   21   10    8 o   50.008   0.7365  2430.31   71.125  2410.88   95.637  2454.36  106.392   49.790   0.9895   50.226   1.0912 -0.4363480 1.473046 
1 1 1   21   10    9 o   25.168   1.1464  616.747   55.554  605.619   73.710  631.381   84.525   24.914   1.5241   25.421   1.7129 -0.5070324 2.292750 
1 1 1   21   10   10 o   33.760   0.8872  1104.37   57.912  1042.18   77.806  1181.61   86.715   32.704   1.2256   34.817   1.2830 -2.112625 1.774338 
1 1 1   21   10   11 o   28.939   1.0292  819.974   57.514  837.825   77.952  798.647   85.205   29.296   1.3707   28.582   1.5357 0.7140045 2.058427 
1 1 1   21   10   12 o   58.256   0.7535  3311.84   85.076  3434.35  118.612  3182.03  122.094   59.375   1.0291   57.137   1.1008 2.237885 1.506927 
1 1 1   21   10   13 o   28.102   1.0678  773.440   58.221  743.801   81.027  805.076   83.712   27.545   1.5154   28.659   1.5047 -1.114119 2.135573 
1 1 1   21   10   14 o   12.887   2.1350  174.901   52.343  180.906   77.283  169.811   71.146   13.075   3.0932   12.698   2.9437 0.3772888 4.270056 
1 1 1   21   10   15 o   30.996   0.9427  940.122   56.529  1055.45   82.176  836.518   77.885   32.806   1.2904   29.186   1.3747 3.620344 1.885453 
1 1 1   21   10   16 o   50.426   0.7684  2486.71   75.095  2517.29  109.629  2459.67  103.075   50.708   1.1137   50.145   1.0589 0.5630569 1.536794 
1 1 1   21   10   17 o   22.904   1.2149  523.954   53.695  463.116   76.352  583.487   75.529   21.547   1.8254   24.261   1.6038 -2.713377 2.429852 
1 1 1   21   10   18 o   30.947   1.0364  948.274   62.211  897.574   87.159  1000.93   88.825   30.093   1.4921   31.801   1.4389 -1.708525 2.072829 
1 1 1   21   10   19 o   22.598   2.0520  558.908   84.582  602.077  106.376  484.700  139.472   24.209   2.2636   20.988   3.4234 3.220789 4.104077 
1 1 1   21   11    0 o   26.768   0.9414  696.759   48.910  690.138   68.632  703.592   69.720   26.639   1.3272   26.897   1.3353 -0.2580853 1.882719 
1 1 1   21   11    1 o   47.078   0.7152  2153.45   65.319  2150.26   90.780  2156.89   94.058   47.042   0.9941   47.113   1.0285 -0.7063293E-01 1.430393 
1 1 1   21   11    2 o  104.486   0.9523 10617.73  193.141 10612.20  272.353 10623.32  273.939  104.459   1.3431  104.513   1.3503 -0.5358124E-01 1.904531 
1 1 1   21   11    3 o   65.649   0.7095  4187.91   90.421  4204.58  128.092  4171.35  127.658   65.779   1.0032   65.519   1.0037 0.2605286 1.419089 
1 1 1   21   11    4 o   57.828   0.7144  3249.85   80.195  3279.07  113.603  3220.82  113.223   58.087   1.0075   57.569   1.0132 0.5187149 1.428832 
1 1 1   21   11    5 o   53.369   0.7275  2770.69   75.299  2834.80  104.982  2702.77  108.063   54.007   1.0014   52.731   1.0557 1.276550 1.455093 
1 1 1   21   11    6 o   15.348   1.8399  232.088   53.274  196.896   71.743  275.345   79.539   13.927   2.7512   16.768   2.4436 -2.840622 3.679745 
1 1 1   21   11    7 o   26.261   1.1259  667.407   56.784  640.252   74.407  705.282   87.874   25.633   1.4954   26.889   1.6835 -1.256079 2.251751 
1 1 1   21   11    8 o   47.396   0.7365  2184.42   67.633  2173.28   92.699  2197.10   98.898   47.270   1.0102   47.522   1.0721 -0.2520142 1.473079 
1 1 1   21   11    9 o   23.510   1.2163  538.023   55.063  524.214   72.967  556.290   83.920   23.170   1.6223   23.850   1.8126 -0.6804028 2.432628 
1 1 1   21   11   10 o   21.108   1.2464  435.846   50.990  432.093   70.044  440.078   74.371   21.016   1.7170   21.200   1.8072 -0.1842747 2.492742 
1 1 1   21   11   11 f   28.314   1.0521  784.041   57.001  786.732   74.654  780.278   88.268   28.389   1.3547   28.239   1.6102 0.1499157 2.104263 
1 1 1   21   11   12 o   30.579   0.9635  914.714   57.119  944.515   79.686  883.222   81.917   31.098   1.3200   30.060   1.4038 1.038195 1.926973 
1 1 1   21   11   13 o   25.360   1.0990  630.391   53.943  699.623   77.723  566.049   74.928   26.712   1.4989   24.009   1.6077 2.703186 2.198078 
1 1 1   21   11   14 o   63.362   0.7644  3921.60   94.010  3891.57  132.192  3952.32  133.722   63.118   1.0789   63.607   1.0830 -0.4892044 1.528723 
1 1 1   21   11   15 o   21.735   1.3390  465.287   56.247  411.254   76.189  530.015   83.388   20.350   1.9287   23.121   1.8580 -2.771059 2.678051 
1 1 1   21   11   16 o   17.976   1.6071  325.259   55.785  325.186   75.201  325.348   83.186   18.007   2.1513   17.945   2.3881 0.6241417E-01 3.214217 
1 1 1   21   11   17 o   23.650   1.3057  558.449   59.938  549.732   84.168  567.417   85.376   23.462   1.8480   23.838   1.8450 -0.3755016 2.611400 
1 1 1   21   11   18 o   15.691   1.9001  259.940   56.301  238.382   80.996  280.093   78.313   14.866   2.9110   16.516   2.4427 -1.650134 3.800114 
1 1 1   21   11   19 o   33.117   1.3669  1091.41   84.305  1043.31  104.424  1181.43  142.868   32.266   1.6672   33.969   2.1667 -1.702938 2.733875 
1 1 1   21   12    0 o   24.175   1.0333  568.324   48.327  565.297   65.612  571.914   71.449   24.107   1.4021   24.243   1.5183 -0.1360664 2.066631 
1 1 1   21   12    1 o   67.441   0.7071  4411.57   92.325  4317.60  125.480  4522.50  136.329   66.662   0.9697   68.221   1.0295 -1.558968 1.414237 
1 1 1   21   12    2 o   77.310   0.7685  5810.50  115.278  6003.96  162.981  5616.83  163.074   78.599   1.0682   76.020   1.1051 2.579659 1.536958 
1 1 1   21   12    3 o   79.222   0.7843  6102.67  120.576  6230.29  169.615  5972.28  171.439   80.062   1.0914   78.383   1.1267 1.679047 1.568644 
1 1 1   21   12    4 o   42.542   0.7817  1756.65   64.430  1718.42   88.061  1800.70   94.515   42.046   1.0789   43.038   1.1313 -0.9917488 1.563331 
1 1 1   21   12    5 o   8.9794   2.2132   59.783   52.696  117.961   71.436  -9.6638   78.048   10.853   3.1835   7.1052   3.0755 3.748260 4.426452 
1 1 1   21   12    6 f   47.260   0.7489  2159.44   68.491  2014.94   92.569  2334.24  101.811   45.524   1.0475   48.997   1.0704 -3.472569 1.497713 
1 1 1   21   12    7 o   22.335   1.2335  485.643   53.127  476.250   70.855  497.705   80.293   22.095   1.6520   22.574   1.8323 -0.4790783 2.467051 
1 1 1   21   12    8 o   16.563   1.7215  270.725   54.639  277.026   72.241  262.303   83.524   16.807   2.2142   16.320   2.6365 0.4877548 3.442974 
1 1 1   21   12    9 o   55.211   0.7254  2963.58   77.693  2899.90  107.592  3032.96  112.308   54.593   1.0153   55.829   1.0363 -1.235561 1.450742 
1 1 1   21   12   10 o   55.064   0.7525  2954.77   80.150  2983.57  109.146  2921.05  118.079   55.364   1.0156   54.765   1.1107 0.5985756 1.505032 
1 1 1   21   12   11 o   23.361   1.2099  529.514   54.585  483.951   72.857  587.812   82.413   22.229   1.6885   24.492   1.7334 -2.263453 2.419830 
1 1 1   21   12   12 o   57.550   0.7371  3227.43   82.345  3189.72  116.022  3265.71  116.889   57.211   1.0447   57.889   1.0402 -0.6784782 1.474245 
1 1 1   21   12   13 o   54.432   0.7512  2889.32   79.165  2866.89  107.894  2915.48  116.517   54.213   1.0252   54.651   1.0983 -0.4374695 1.502462 
1 1 1   21   12   14 o   11.024   2.2668  129.948   53.406  166.027   70.793   82.292   81.361   12.533   2.9575   9.5155   3.4362 3.017574 4.533679 
1 1 1   21   12   15 o   54.353   0.7708  2891.28   81.244  2978.84  113.670  2799.84  116.164   55.205   1.0607   53.500   1.1185 1.705353 1.541510 
1 1 1   21   12   16 o   27.626   1.1314  755.211   60.581  764.615   83.737  744.885   87.753   27.822   1.5505   27.430   1.6481 0.3923073 2.262774 
1 1 1   21   12   17 f   29.080   1.1238  837.143   63.261  754.100   87.604  927.637   91.449   27.557   1.6377   30.604   1.5394 -3.047071 2.247585 
1 1 1   21   12   18 f   21.248   1.4859  457.667   61.070  460.508   83.141  454.337   89.998   21.360   2.0052   21.137   2.1935 0.2232208 2.971860 
1 1 1   21   12   19 o   17.454   2.5367  337.089   81.827  282.149  104.677  423.412  131.210   15.689   3.5233   19.218   3.6506 -3.529207 5.073483 
1 1 1   21   13    0 o   53.830   0.6714  2815.44   70.146  2826.80   98.380  2803.70  100.044   53.941   0.9396   53.719   0.9594 0.2219925 1.342842 
1 1 1   21   13    1 o   44.721   0.7193  1945.03   62.390  2001.81   87.333  1885.84   89.161   45.389   0.9912   44.052   1.0427 1.336983 1.438604 
1 1 1   21   13    2 o   37.909   0.7964  1398.31   58.427  1416.17   79.844  1377.73   85.724   38.172   1.0775   37.646   1.1731 0.5264130 1.592857 
1 1 1   21   13    3 o   81.884   0.7995  6514.42  126.955  6441.62  175.184  6594.94  184.241   81.405   1.1086   82.363   1.1524 -0.9580688 1.599050 
1 1 1   21   13    4 o   54.239   0.7299  2855.83   76.485  2824.49  103.018  2894.31  114.173   53.911   0.9844   54.566   1.0779 -0.6554108 1.459750 
1 1 1   21   13    5 o   30.949   0.9690  942.256   57.407  1007.41   76.801  859.760   86.420   32.182   1.2294   29.715   1.4982 2.467377 1.938050 
1 1 1   21   13    6 o   37.486   0.8485  1384.63   60.385  1462.56   78.959  1274.83   93.720   38.783   1.0488   36.188   1.3341 2.594807 1.697025 
1 1 1   21   13    7 o   35.383   0.8338  1217.13   57.238  1177.54   79.380  1260.01   82.610   34.784   1.1756   35.981   1.1827 -1.196888 1.667609 
1 1 1   21   13    8 o   37.546   0.8588  1370.52   62.189  1354.28   83.135  1391.15   93.710   37.300   1.1482   37.792   1.2774 -0.4915810 1.717547 
1 1 1   21   13    9 o   55.951   0.7413  3045.23   80.277  3026.97  109.287  3066.63  118.307   55.775   1.0094   56.128   1.0858 -0.3530540 1.482545 
1 1 1   21   13   10 o   5.5560   1.8546 -87.2311   53.208 -51.6183   71.202 -132.2663   80.070   5.8868   2.7084   5.2252   2.5342 0.6616325 3.709146 
1 1 1   21   13   11 o   34.951   0.8671  1191.60   58.821  1182.86   83.602  1200.18   82.774   34.823   1.2368   35.080   1.2155 -0.2569923 1.734119 
1 1 1   21   13   12 o   27.082   1.0797  724.988   56.102  773.367   75.484  665.285   83.854   28.123   1.3827   26.042   1.6588 2.081360 2.159484 
1 1 1   21   13   13 o   19.617   1.4413  380.712   54.578  377.130   73.286  385.172   81.781   19.533   1.9328   19.700   2.1385 -0.1673107 2.882507 
1 1 1   21   13   14 o   33.893   0.9143  1125.71   60.140  1094.42   84.341  1158.07   85.779   33.412   1.3004   34.374   1.2856 -0.9616814 1.828564 
1 1 1   21   13   15 o   43.884   0.7839  1884.72   66.741  1847.99   95.433  1919.88   93.373   43.459   1.1312   44.310   1.0856 -0.8512878 1.567855 
1 1 1   21   13   16 o   10.898   2.2802  126.075   51.932  148.976   75.546  105.557   71.507   11.734   3.2194   10.062   3.2298 1.672091 4.560308 
1 1 1   21   13   17 o   8.2650   2.2780   52.237   52.709   48.475   75.837   55.752   73.312   8.1954   3.2332   8.3345   3.2100 -0.1390963 4.556021 
1 1 1   21   13   18 o   38.081   1.0304  1428.51   74.898  1489.00  118.101  1387.82   96.869   38.684   1.5727   37.477   1.3315 1.206970 2.060706 
1 1 1   21   13   19 o   22.167   1.9093  514.939   79.593  502.379  100.522  536.048  130.312   22.025   2.3511   22.309   3.0091 -0.2838135 3.818687 
1 1 1   21   14    0 o   35.336   0.7940  1215.17   54.313  1237.02   74.521  1190.41   79.326   35.677   1.0760   34.994   1.1677 0.6826744 1.587914 
1 1 1   21   14    1 o   66.468   0.7154  4285.27   92.140  4170.64  125.953  4417.25  135.143   65.515   0.9904   67.420   1.0326 -1.905853 1.430789 
1 1 1   21   14    2 o   6.3854   1.9801 -16.7372   46.735 -23.3326   62.492  -8.3671   70.399   6.0053   2.6701   6.7655   2.9247 -0.7601976 3.960206 
1 1 1   21   14    3 o   53.674   0.7212  2800.57   74.942  2809.96  102.410  2789.74  109.962   53.773   0.9811   53.574   1.0574 0.1990814 1.442410 
1 1 1   21   14    4 o   21.140   1.2281  434.662   50.288  422.993   68.549  448.260   73.998   20.836   1.6949   21.445   1.7776 -0.6091022 2.456103 
1 1 1   21   14    5 o   61.798   0.7200  3715.00   86.252  3763.33  119.275  3662.01  124.877   62.223   0.9875   61.374   1.0482 0.8490410 1.440076 
1 1 1   21   14    6 o   77.220   0.7921  5783.83  118.461  5569.02  161.169  6036.25  174.707   75.668   1.0972   78.771   1.1426 -3.103241 1.584103 
1 1 1   21   14    7 o   78.100   0.8040  5937.60  121.801  5985.13  169.375  5886.69  175.283   78.428   1.1125   77.772   1.1611 0.6563721 1.608033 
1 1 1   21   14    8 o   40.138   0.7586  1568.83   59.023  1590.27   81.642  1545.35   85.429   40.429   1.0403   39.847   1.1044 0.5812645 1.517237 
1 1 1   21   14    9 o   56.549   0.7441  3105.92   81.409  3034.12  110.203  3192.16  120.782   55.837   1.0167   57.262   1.0866 -1.424892 1.488114 
1 1 1   21   14   10 o   31.708   0.9140  980.490   56.232  972.392   78.194  989.162   80.924   31.575   1.2758   31.842   1.3092 -0.2669907 1.828005 
1 1 1   21   14   11 o   23.432   1.2497  542.270   56.390  577.740   76.770  500.708   83.101   24.289   1.6282   22.576   1.8963 1.712914 2.499384 
1 1 1   21   14   12 o   46.849   0.7680  2140.88   69.763  2146.70   96.448  2134.49  101.032   46.921   1.0589   46.776   1.1127 0.1448669 1.536007 
1 1 1   21   14   13 o   44.554   0.7489  1937.62   64.769  1931.23   90.906  1944.21   92.303   44.481   1.0528   44.627   1.0655 -0.1461716 1.497892 
1 1 1   21   14   14 o   11.251   2.2021  134.152   50.537  163.888   71.191  103.945   71.752   12.425   2.9882   10.078   3.2354 2.347268 4.404227 
1 1 1   21   14   15 o   26.916   1.1107  722.868   57.325  803.253   78.430  630.668   83.996   28.582   1.4136   25.250   1.7137 3.332157 2.221456 
1 1 1   21   14   16 o   15.318   1.8890  237.969   54.048  180.145   71.201  316.590   83.024   12.976   2.8997   17.660   2.4219 -4.683896 3.778038 
1 1 1   21   14   17 o   15.594   1.9587  255.796   57.991  245.708   82.740  265.536   81.302   15.132   2.9226   16.056   2.6086 -0.9242229 3.917447 
1 1 1   21   14   18 o   11.671   2.5060  147.993   61.338  189.062   96.121  119.781   79.668   12.856   3.6702   10.487   3.4131 2.369115 5.011934 
1 1 1   21   14   19 o   9.4873   2.7154   73.569   76.881   83.267   98.259   58.258  123.454   9.5066   3.7009   9.4679   3.9745 0.3865337E-01 5.430744 
1 1 1   21   15    0 f   29.032   0.8880  833.562   49.188  938.765   66.730  708.390   72.788   31.078   1.1061   26.986   1.3895 4.092258 1.776009 
1 1 1   21   15    1 o   68.725   0.7207  4593.04   96.065  4675.79  133.769  4504.93  138.045   69.367   0.9934   68.084   1.0445 1.283409 1.441492 
1 1 1   21   15    2 o   91.652   0.8646  8167.34  153.718  8143.80  213.327  8192.75  221.693   91.518   1.2008   91.786   1.2443 -0.2685318 1.729199 
1 1 1   21   15    3 o  104.194   0.9361 10561.92  189.301 10594.76  265.413 10527.92  270.073  104.362   1.3101  104.027   1.3374 0.3346558 1.872210 
1 1 1   21   15    4 o   72.930   0.7653  5160.83  108.149  5014.42  147.766  5329.74  158.711   71.820   1.0599   74.039   1.1043 -2.218689 1.530626 
1 1 1   21   15    5 o   33.191   0.9086  1075.21   58.258  1109.04   79.368  1035.69   85.784   33.763   1.2110   32.618   1.3548 1.145226 1.817136 
1 1 1   21   15    6 o   54.475   0.7303  2880.60   77.127  2785.41  105.867  2988.27  112.590   53.519   1.0190   55.430   1.0464 -1.911713 1.460594 
1 1 1   21   15    7 o   41.380   0.8173  1668.90   65.273  1688.63   87.991  1644.77   97.333   41.659   1.0881   41.101   1.2199 0.5577621 1.634690 
1 1 1   21   15    8 o   46.625   0.7547  2116.01   68.182  2122.14   93.675  2109.10   99.431   46.701   1.0333   46.550   1.1004 0.1514168 1.509491 
1 1 1   21   15    9 o   77.651   0.8003  5873.07  120.605  5894.15  168.732  5851.05  172.451   77.796   1.1173   77.505   1.1462 0.2917938 1.600692 
1 1 1   21   15   10 o   44.759   0.7912  1951.34   68.294  1946.11   91.463  1957.93  102.669   44.701   1.0540   44.817   1.1801 -0.1159859 1.582321 
1 1 1   21   15   11 o   37.726   0.8263  1389.35   60.284  1404.24   82.007  1371.85   88.920   37.954   1.1131   37.497   1.2216 0.4568253 1.652659 
1 1 1   21   15   12 o   14.116   1.9354  205.164   51.704  236.206   72.108  172.315   74.177   15.406   2.4112   12.825   3.0279 2.580108 3.870732 
1 1 1   21   15   13 o   30.525   0.9648  912.976   56.692  910.887   75.446  915.685   85.921   30.504   1.2741   30.546   1.4490 -0.4205322E-01 1.929545 
1 1 1   21   15   14 o   21.658   1.2963  463.199   53.922  454.119   70.972  475.597   82.931   21.437   1.7055   21.878   1.9527 -0.4406567 2.592670 
1 1 1   21   15   15 o   23.294   1.3084  551.408   57.683  626.820   77.371  457.040   86.551   25.200   1.5817   21.387   2.0847 3.812935 2.616830 
1 1 1   21   15   16 o   22.243   1.3744  495.527   59.100  503.359   80.440  486.340   87.119   22.467   1.8444   22.019   2.0382 0.4480095 2.748878 
1 1 1   21   15   17 o   11.764   2.4159  153.795   58.369  162.562   77.277  142.150   89.065   12.151   3.2232   11.376   3.5997 0.7756205 4.831859 
1 1 1   21   15   18 o   36.355   1.3345  1359.39   90.885  1458.19  117.180  1210.24  143.984   38.249   1.5782   34.460   2.1525 3.789452 2.669056 
1 1 1   21   16    0 o   78.760   0.7710  6028.60  117.799  6010.46  163.548  6048.17  169.815   78.639   1.0714   78.882   1.1090 -0.2424088 1.541997 
1 1 1   21   16    1 o   27.302   1.1591  739.878   60.253  615.174   88.931  845.699   81.922   25.124   1.8235   29.481   1.4315 -4.356825 2.318241 
1 1 1   21   16    2 o   25.815   1.0693  644.288   53.109  617.395   69.959  680.866   81.591   25.188   1.4308   26.443   1.5895 -1.254913 2.138658 
1 1 1   21   16    3 o   27.780   1.0222  762.099   54.099  821.765   71.790  683.693   82.296   29.066   1.2724   26.495   1.6001 2.570923 2.044356 
1 1 1   21   16    4 o  121.328   1.0581 14335.79  249.195 14367.77  351.593 14303.51  353.243  121.465   1.4912  121.191   1.5015 0.2747498 2.116173 
1 1 1   21   16    5 o   66.712   0.7371  4329.14   95.277  4352.75  131.026  4302.65  138.793   66.909   1.0088   66.515   1.0749 0.3940506 1.474168 
1 1 1   21   16    6 o   41.549   0.7926  1683.44   63.092  1703.36   83.060  1656.26   97.004   41.849   1.0224   41.249   1.2115 0.5998459 1.585258 
1 1 1   21   16    7 o   55.999   0.7208  3048.81   78.309  3002.22  108.611  3099.24  113.010   55.555   1.0071   56.443   1.0314 -0.8874664 1.441586 
1 1 1   21   16    8 o   50.800   0.7521  2510.03   73.806  2494.71   99.467  2528.81  110.094   50.635   1.0120   50.966   1.1128 -0.3315697 1.504131 
1 1 1   21   16    9 o   22.207   1.2439  481.592   53.550  451.482   73.696  515.273   77.943   21.473   1.7681   22.941   1.7502 -1.468880 2.487832 
1 1 1   21   16   10 o   25.405   1.1442  629.338   56.266  602.495   76.187  661.545   83.452   24.816   1.5816   25.994   1.6539 -1.178001 2.288378 
1 1 1   21   16   11 o   19.463   1.3964  372.944   52.755  373.427   74.433  372.456   74.781   19.476   1.9688   19.449   1.9807 0.2700806E-01 2.792709 
1 1 1   21   16   12 o   7.0388   2.0363 -29.9296   51.358 -117.0968   69.284   76.384   76.515   4.8107   2.3387   9.2669   3.3341 -4.456155 4.072619 
1 1 1   21   16   13 o   34.594   0.9000  1164.13   60.156  1094.48   80.510  1252.15   90.514   33.438   1.2404   35.750   1.3043 -2.311481 1.799912 
1 1 1   21   16   14 o   12.834   2.1618  178.409   53.875  220.112   73.994  131.358   78.595   14.519   2.7255   11.149   3.3564 3.370420 4.323651 
1 1 1   21   16   15 o   13.284   2.1603  190.261   54.757  217.381   76.188  161.286   78.751   14.347   2.8361   12.222   3.2595 2.125564 4.320652 
1 1 1   21   16   16 o   10.561   2.3343  119.126   53.125  117.227   74.550  121.086   75.723   10.486   3.2900   10.636   3.3123 -0.1500883 4.668610 
1 1 1   21   16   17 o   14.284   2.1063  221.656   57.883  302.031   82.542  143.886   81.193   17.149   2.4795   11.418   3.4056 5.731192 4.212601 
1 1 1   21   16   18 o   14.882   2.7572  259.185   79.460  255.827  102.108  264.341  126.523   14.952   3.5678   14.812   4.2047 0.1402225 5.514359 
1 1 1   21   17    0 o   18.539   1.4315  344.556   50.085  406.815   67.959  270.535   74.101   20.436   1.7131   16.641   2.2939 3.794706 2.862995 
1 1 1   21   17    1 o   78.652   0.7592  6013.82  115.863  6247.77  164.367  5782.75  163.348   80.174   1.0561   77.129   1.0910 3.045029 1.518449 
1 1 1   21   17    2 f   85.649   0.8074  7132.88  134.135  7145.57  186.251  7119.19  193.340   85.731   1.1192   85.567   1.1640 0.1642075 1.614748 
1 1 1   21   17    3 o   96.172   0.8727  8989.05  162.716  8852.26  223.853  9142.29  236.933   95.401   1.2088   96.943   1.2591 -1.541588 1.745379 
1 1 1   21   17    4 o  103.409   0.9190 10395.12  184.275 10167.86  253.713 10648.88  268.089  102.218   1.2786  104.599   1.3203 -2.380836 1.837998 
1 1 1   21   17    5 o   28.920   0.9837  825.304   54.444  902.234   73.455  731.525   81.102   30.446   1.2429   27.395   1.5251 3.050787 1.967411 
1 1 1   21   17    6 o   73.617   0.7732  5274.96  110.397  5319.95  153.305  5226.50  159.106   73.947   1.0680   73.287   1.1184 0.6606369 1.546420 
1 1 1   21   17    7 o   70.351   0.7681  4819.94  104.829  4959.63  147.081  4675.71  149.449   71.392   1.0613   69.310   1.1108 2.082001 1.536297 
1 1 1   21   17    8 o   31.241   0.9102  947.317   55.079  889.089   74.946  1015.70   81.217   30.202   1.2783   32.279   1.2962 -2.076981 1.820479 
1 1 1   21   17    9 o   13.427   1.9131  171.456   52.621   43.575   69.099  348.009   81.190   8.0568   3.1126   18.798   2.2250 -10.74082 3.826120 
1 1 1   21   17   10 o   13.159   1.9536  178.858   48.310  193.741   67.690  163.407   68.970   13.755   2.6310   12.562   2.8886 1.192735 3.907180 
1 1 1   21   17   11 f   17.235   1.6059  299.294   52.714  346.674   72.339  245.650   76.974   18.755   1.9870   15.714   2.5234 3.040526 3.211780 
1 1 1   21   17   12 o   20.238   1.3742  403.098   53.690  388.919   71.750  421.138   80.935   19.850   1.8621   20.625   2.0215 -0.7752113 2.748381 
1 1 1   21   17   13 o   6.3119   1.9994 -26.4900   50.691 -14.9181   70.203 -39.0958   73.272   6.4767   2.8572   6.1472   2.7976 0.3294449 3.998761 
1 1 1   21   17   14 o   12.448   2.1117  165.389   50.541  184.312   70.343  145.197   72.664   13.226   2.8256   11.671   3.1390 1.555458 4.223458 
1 1 1   21   17   15 o   12.044   2.6357  151.383   62.278  146.643   72.222  165.130  122.988   11.672   3.1252   12.416   4.2451 -0.7434750 5.271427 
1 1 1   21   17   16 o   36.902   0.9000  1340.10   64.455  1336.39   92.155  1343.66   90.183   36.846   1.2884   36.958   1.2570 -0.1124458 1.800054 
1 1 1   21   17   17 o   17.472   1.6920  312.189   57.099  355.841   82.700  272.425   78.932   18.680   2.2807   16.265   2.4999 2.414310 3.383958 
1 1 1   21   17   18 o   25.849   1.6266  695.026   78.531  715.888   99.616  660.774  127.644   26.588   1.9301   25.110   2.6188 1.478832 3.253168 
1 1 1   21   18    0 o   49.852   0.6945  2408.89   67.016  2339.26   90.830  2492.08   99.282   49.065   0.9537   50.638   1.0100 -1.573650 1.389097 
1 1 1   21   18    1 o   49.083   0.7127  2340.48   67.787  2325.68   92.985  2357.26   99.032   48.919   0.9792   49.247   1.0359 -0.3273201 1.425477 
1 1 1   21   18    2 o   61.298   0.7158  3652.89   85.090  3667.79  117.878  3636.67  122.951   61.431   0.9885   61.166   1.0355 0.2652588 1.431598 
1 1 1   21   18    3 o   22.814   1.1802  504.706   52.060  479.280   69.974  536.229   77.914   22.177   1.6254   23.452   1.7115 -1.275419 2.360337 
1 1 1   21   18    4 f   47.098   0.7565  2165.85   68.572  2229.52   91.951  2086.09  102.925   47.887   0.9892   46.308   1.1450 1.579361 1.513095 
1 1 1   21   18    5 o   55.744   0.7132  3022.17   77.082  3025.20  106.484  3018.84  111.726   55.776   0.9835   55.712   1.0331 0.6410599E-01 1.426387 
1 1 1   21   18    6 o   51.773   0.7116  2607.84   71.502  2652.64  100.669  2562.23  101.575   52.223   0.9930   51.322   1.0196 0.9005318 1.423254 
1 1 1   21   18    7 o   58.260   0.7461  3310.31   84.193  3476.59  117.384  3134.14  120.824   59.777   1.0116   56.744   1.0969 3.032520 1.492166 
1 1 1   21   18    8 o   87.439   0.8553  7450.33  145.170  7447.81  204.175  7452.90  206.447   87.426   1.2031   87.452   1.2161 -0.2613831E-01 1.710660 
1 1 1   21   18    9 o   12.033   2.1716  145.014   52.465   91.417   70.511  211.487   78.526   9.7383   3.2130   14.328   2.9224 -4.589835 4.343214 
1 1 1   21   18   10 o   9.9676   2.2962   95.919   51.112   80.131   69.633  114.362   75.262   9.2881   3.1936   10.647   3.3000 -1.359106 4.592320 
1 1 1   21   18   11 o   18.267   1.4832  329.563   51.747  328.133   67.372  331.619   80.808   18.249   1.9019   18.286   2.2765 -0.3746033E-01 2.966442 
1 1 1   21   18   12 o   9.5117   2.2122   84.792   49.102   47.376   67.848  125.940   71.150   8.0505   3.0912   10.973   3.1654 -2.922361 4.424385 
1 1 1   21   18   13 o   24.599   1.1546  596.771   55.125  582.640   77.441  611.286   78.486   24.302   1.6416   24.897   1.6240 -0.5945282 2.309167 
1 1 1   21   18   14 o   13.425   2.1232  192.774   53.757  204.279   72.276  178.528   80.424   13.952   2.7663   12.897   3.2217 1.054998 4.246423 
1 1 1   21   18   15 o   34.762   0.9221  1192.54   61.746  1228.10   83.121  1148.76   92.231   35.373   1.2105   34.151   1.3913 1.222546 1.844189 
1 1 1   21   18   16 o   7.7257   2.2872   20.507   57.689   1.8285   78.128   42.900   85.543   7.1048   3.0762   8.3466   3.3857 -1.241791 4.574458 
1 1 1   21   18   17 o   17.567   1.8522  320.233   63.141  310.418   88.967  330.193   89.627   17.281   2.6521   17.852   2.5863 -0.5709000 3.704386 
1 1 1   21   18   18 o   8.1934   2.5419  -0.4065   77.448 -36.4846  102.425   47.762  118.349   7.2217   3.2947   9.1651   3.8717 -1.943462 5.083782 
1 1 1   21   19    0 f   32.828   0.8504  1051.37   53.841  1080.80   72.719  1015.67   80.100   33.342   1.1235   32.314   1.2770 1.028126 1.700883 
1 1 1   21   19    1 o   35.699   0.7986  1234.21   55.089  1190.72   73.904  1288.59   82.642   34.997   1.0879   36.402   1.1695 -1.405243 1.597265 
1 1 1   21   19    2 o   25.231   1.0290  614.161   50.164  548.922   67.424  695.049   75.076   23.743   1.4629   26.718   1.4475 -2.974930 2.058019 
1 1 1   21   19    3 o   68.739   0.7410  4596.85   98.809  4668.10  137.827  4521.50  141.729   69.290   1.0247   68.188   1.0707 1.102196 1.482061 
1 1 1   21   19    4 o   61.523   0.7112  3681.83   84.752  3698.19  116.198  3663.24  123.886   61.673   0.9706   61.373   1.0399 0.3001251 1.422464 
1 1 1   21   19    5 o   60.146   0.7181  3521.70   83.472  3552.11  113.133  3485.38  123.662   60.438   0.9643   59.855   1.0643 0.5829697 1.436204 
1 1 1   21   19    6 o   13.044   2.0376  178.208   50.453  205.182   65.183  137.896   79.685   14.452   2.3235   11.636   3.3479 2.816424 4.075146 
1 1 1   21   19    7 o   30.062   0.9191  885.401   53.289  993.528   74.973  775.002   75.756   31.935   1.2094   28.189   1.3844 3.745989 1.838270 
1 1 1   21   19    8 o   34.016   1.1365  1073.01   66.633  1010.21   77.017  1259.93  132.878   32.191   1.2325   35.841   1.9099 -3.649784 2.273019 
1 1 1   21   19    9 o   41.138   0.7539  1646.87   60.150  1610.89   82.971  1686.73   87.325   40.667   1.0510   41.609   1.0811 -0.9419708 1.507821 
1 1 1   21   19   10 o   33.602   0.9055  1103.90   58.763  1117.94   79.515  1087.01   87.227   33.848   1.2102   33.355   1.3472 0.4926720 1.810915 
1 1 1   21   19   11 o   24.889   1.1038  608.193   53.240  652.347   75.673  564.915   74.918   25.792   1.5114   23.985   1.6091 1.806936 2.207608 
1 1 1   21   19   12 f   31.599   0.9580  983.342   58.380  1029.14   79.391  929.421   86.146   32.424   1.2614   30.773   1.4421 1.650967 1.915904 
1 1 1   21   19   13 o   12.761   2.1915  171.744   53.494  154.972   71.271  193.383   80.956   12.066   3.0433   13.456   3.1542 -1.390666 4.382983 
1 1 1   21   19   14 o   15.295   1.9204  242.069   55.451  245.302   74.909  238.151   82.477   15.579   2.4770   15.012   2.9355 0.5668831 3.840895 
1 1 1   21   19   15 o   6.7161   2.0998 -13.6018   53.736  -8.2941   72.209 -20.1894   80.445   6.6545   2.9179   6.7776   3.0205 -0.1231298 4.199693 
1 1 1   21   19   16 o   18.461   1.6639  349.936   59.085  391.269   82.209  305.771   84.979   19.669   2.1531   17.253   2.5373 2.415943 3.327744 
1 1 1   21   19   17 o   34.493   1.3395  1210.74   87.390  1261.64  113.218  1135.71  137.454   35.556   1.6404   33.431   2.1181 2.125481 2.679010 
1 1 1   21   19   18 o   24.200   1.7348  606.801   80.047  592.224  103.533  628.464  126.215   23.988   2.2234   24.411   2.6635 -0.4226532 3.469555 
1 1 1   21   20    0 o   54.592   0.8239  2868.04   82.063  2811.66   99.742  2986.17  144.378   53.788   0.9553   55.397   1.3426 -1.609245 1.647770 
1 1 1   21   20    1 o   49.940   0.6983  2422.69   67.668  2365.80   94.191  2483.36   97.278   49.335   0.9835   50.545   0.9914 -1.210289 1.396524 
1 1 1   21   20    2 o   51.678   0.7096  2601.43   71.041  2729.30   99.190  2466.75  101.794   52.988   0.9643   50.369   1.0411 2.619461 1.419101 
1 1 1   21   20    3 o   44.690   0.7283  1940.24   63.068  1911.78   86.360  1972.78   92.322   44.341   1.0033   45.039   1.0560 -0.6974907 1.456629 
1 1 1   21   20    4 o   25.550   1.0957  651.826   53.046  762.324   72.195  522.171   78.202   27.976   1.3294   23.124   1.7422 4.851507 2.191445 
1 1 1   21   20    5 o   50.745   0.7214  2508.40   70.958  2638.16   99.686  2375.14  101.026   52.081   0.9860   49.409   1.0533 2.671700 1.442826 
1 1 1   21   20    6 o   54.436   0.7261  2879.56   76.638  2810.38  105.379  2957.23  111.659   53.745   1.0101   55.127   1.0434 -1.381851 1.452228 
1 1 1   21   20    7 o   52.515   0.7280  2675.30   74.055  2552.30  100.774  2819.70  109.191   51.210   1.0138   53.821   1.0451 -2.611057 1.456028 
1 1 1   21   20    8 o   32.659   0.8772  1040.23   55.595  1046.89   77.851  1033.30   79.421   32.768   1.2239   32.550   1.2569 0.2174377 1.754375 
1 1 1   21   20    9 o   63.374   0.7596  3913.24   93.405  3915.69  130.148  3910.63  134.131   63.398   1.0575   63.349   1.0907 0.4853821E-01 1.519253 
1 1 1   21   20   10 o   22.711   1.1842  507.993   51.620  519.393   68.526  493.038   78.487   23.027   1.5330   22.396   1.8054 0.6313686 2.368460 
1 1 1   21   20   11 o   33.574   0.9154  1097.17   59.438  1039.77   79.983  1167.97   88.828   32.605   1.2637   34.543   1.3247 -1.938599 1.830806 
1 1 1   21   20   12 o   26.041   1.4234  652.990   65.045  626.863   76.372  721.998  124.119   25.239   1.5588   26.843   2.3820 -1.603638 2.846720 
1 1 1   21   20   13 o   14.913   1.9581  231.558   54.519  215.984   74.623  249.389   79.845   14.361   2.7772   15.464   2.7611 -1.102911 3.916254 
1 1 1   21   20   14 o   25.957   1.0965  673.766   54.240  811.740   76.271  532.592   77.150   28.730   1.3676   23.185   1.7142 5.544859 2.192918 
1 1 1   21   20   15 o   26.272   1.1028  683.411   56.215  682.833   78.300  684.026   80.758   26.269   1.5355   26.276   1.5833 -0.7051468E-02 2.205585 
1 1 1   21   20   16 o   30.835   1.0283  942.418   61.393  919.484   89.430  962.859   84.430   30.455   1.5127   31.214   1.3934 -0.7596531 2.056687 
1 1 1   21   20   17 o   18.744   2.2790  371.448   79.741  329.219  100.802  442.067  130.355   17.335   3.1099   20.152   3.3322 -2.817659 4.557967 
1 1 1   21   21    0 o   17.437   1.4372  306.058   46.998  344.881   61.730  252.525   72.488   18.809   1.6907   16.064   2.3246 2.745403 2.874407 
1 1 1   21   21    1 o   27.885   0.9477  756.332   50.929  751.953   67.961  761.940   76.917   27.798   1.2594   27.972   1.4165 -0.1743889 1.895457 
1 1 1   21   21    2 o   16.676   1.5085  268.629   48.488  243.103   64.107  302.754   74.122   15.765   2.0949   17.588   2.1711 -1.823035 3.016982 
1 1 1   21   21    3 o   9.3226   2.1983   82.447   47.240  100.945   59.781   51.688   77.086   10.012   2.9053   8.6336   3.2998 1.377970 4.396510 
1 1 1   21   21    4 f   18.530   1.4024  331.491   50.101  290.712   66.604  384.638   76.036   17.235   1.9908   19.826   1.9757 -2.590862 2.804789 
1 1 1   21   21    5 o   76.673   0.7817  5718.16  116.291  5612.12  161.437  5832.53  167.662   75.937   1.0952   77.410   1.1158 -1.472855 1.563441 
1 1 1   21   21    6 o   69.914   0.7458  4754.23  101.179  4646.13  140.601  4870.33  145.715   69.092   1.0483   70.737   1.0612 -1.644958 1.491684 
1 1 1   21   21    7 o   19.170   1.4017  351.179   51.470  295.707   66.815  432.144   80.720   17.358   1.9830   20.983   1.9817 -3.625797 2.803477 
1 1 1   21   21    8 o   32.019   0.9083  1001.27   55.839  1007.18   73.858  993.374   85.312   32.142   1.1837   31.896   1.3779 0.2460194 1.816523 
1 1 1   21   21    9 o   36.772   0.8668  1318.11   61.549  1307.31   82.751  1331.47   92.082   36.613   1.1643   36.931   1.2845 -0.3176575 1.733641 
1 1 1   21   21   10 o   29.363   0.9661  843.149   55.052  830.062   76.701  857.054   79.063   29.130   1.3564   29.596   1.3762 -0.4664707 1.932275 
1 1 1   21   21   11 o   21.264   1.3536  444.071   55.547  420.878   73.940  474.119   84.159   20.645   1.8450   21.884   1.9811 -1.238361 2.707190 
1 1 1   21   21   12 o   29.880   0.9875  873.792   57.154  800.014   78.488  957.072   83.390   28.537   1.4169   31.223   1.3758 -2.686428 1.974953 
1 1 1   21   21   13 o   26.704   1.0844  702.906   56.161  714.577   78.145  690.439   80.766   26.944   1.4941   26.465   1.5722 0.4787693 2.168870 
1 1 1   21   21   14 o   17.456   1.7206  304.900   57.917  265.216   77.325  355.616   87.414   16.169   2.4636   18.743   2.4026 -2.573767 3.441166 
1 1 1   21   21   15 o   7.7160   2.2750   24.412   56.703   32.490   78.159   15.436   82.387   7.8469   3.2158   7.5851   3.2187 0.2617869 4.549909 
1 1 1   21   21   16 o   24.025   1.2910  572.156   59.885  512.186   80.012  648.539   90.299   22.610   1.8230   25.440   1.8285 -2.829767 2.582038 
1 1 1   21   21   17 o   23.457   1.7700  569.444   79.638  552.993  104.349  592.392  123.244   23.164   2.3206   23.750   2.6732 -0.5860882 3.539930 
1 1 1   21   22    0 o   29.497   0.8506  845.767   48.569  836.373   66.083  856.803   71.626   29.322   1.1610   29.673   1.2435 -0.3510418 1.701242 
1 1 1   21   22    1 o   32.367   0.8406  1015.28   52.438  986.682   69.665  1052.65   79.651   31.848   1.1269   32.887   1.2477 -1.038975 1.681242 
1 1 1   21   22    2 f   27.089   0.9500  714.968   49.919  683.097   70.466  747.076   70.727   26.481   1.3708   27.697   1.3155 -1.216349 1.899915 
1 1 1   21   22    3 o   6.8875   2.0507   5.4670   46.694  -3.7757   63.915   16.046   68.380   6.5205   2.8026   7.2544   2.9944 -0.7338390 4.101401 
1 1 1   21   22    4 o   56.122   0.7130  3060.12   77.522  3006.04  105.987  3122.34  113.683   55.593   0.9821   56.651   1.0338 -1.058693 1.425919 
1 1 1   21   22    5 o   17.703   1.5431  312.483   51.759  333.874   67.738  282.473   80.234   18.467   1.8896   16.938   2.4402 1.529280 3.086286 
1 1 1   21   22    6 o   30.408   0.9385  902.039   55.188  905.071   74.910  898.439   81.614   30.471   1.2665   30.346   1.3855 0.1247406 1.877085 
1 1 1   21   22    7 o   19.920   1.3100  389.831   50.200  458.747   72.156  325.184   69.886   21.644   1.7174   18.197   1.9785 3.447533 2.619905 
1 1 1   21   22    8 o   59.919   0.7390  3496.23   85.867  3475.44  118.639  3519.10  124.437   59.736   1.0231   60.101   1.0666 -0.3650475 1.477977 
1 1 1   21   22    9 o   25.773   1.0283  649.062   51.402  613.594   71.406  687.209   74.052   25.041   1.4690   26.505   1.4393 -1.463900 2.056548 
1 1 1   21   22   10 o   12.553   2.0664  168.942   51.722  222.792   69.391  101.621   77.587   14.954   2.3905   10.151   3.3714 4.802396 4.132848 
1 1 1   21   22   11 o   29.433   0.9689  850.332   55.288  876.665   77.129  822.499   79.295   29.911   1.3284   28.955   1.4108 0.9563332 1.937756 
1 1 1   21   22   12 o   28.256   1.0101  784.794   55.393  803.878   78.463  765.830   78.212   28.602   1.4132   27.909   1.4437 0.6925373 2.020225 
1 1 1   21   22   13 o   28.350   1.1049  793.845   60.604  808.130   82.878  777.428   88.847   28.645   1.4905   28.055   1.6314 0.5897522 2.209780 
1 1 1   21   22   14 f   31.943   1.0330  1010.37   63.333  1032.06   84.076  981.911   96.295   32.383   1.3375   31.503   1.5747 0.8803024 2.066005 
1 1 1   21   22   15 o   30.493   1.0273  921.542   60.526  945.045   82.408  894.013   89.188   30.946   1.3718   30.039   1.5295 0.9071369 2.054580 
1 1 1   21   22   16 o   12.611   2.4203  181.886   62.802  125.882   93.120  228.614   85.059   10.800   3.6938   14.422   3.1283 -3.621502 4.840516 
1 1 1   21   22   17 o   7.8045   2.4795 -21.6910   76.694 -45.7857   98.750   14.933  121.748   6.9475   3.1939   8.6614   3.7936 -1.713872 4.959084 
1 1 1   21   23    0 o   17.613   1.3921  298.992   47.185  251.369   62.973  359.957   71.251   16.033   2.0234   19.193   1.9124 -3.160601 2.784140 
1 1 1   21   23    1 o   16.875   1.6507  305.893   48.309  396.378   64.331  188.883   73.155   20.155   1.6442   13.594   2.8627 6.561241 3.301312 
1 1 1   21   23    2 o   45.548   0.7165  2017.60   63.032  2015.12   84.951  2020.63   94.017   45.521   0.9614   45.574   1.0627 -0.5258560E-01 1.433045 
1 1 1   21   23    3 o   76.281   0.7699  5661.71  113.959  5643.39  158.870  5681.13  163.557   76.156   1.0747   76.405   1.1028 -0.2490692 1.539796 
1 1 1   21   23    4 o   21.478   1.1491  444.859   47.606  393.825   63.358  511.033   72.147   20.081   1.6253   22.875   1.6248 -2.793909 2.298176 
1 1 1   21   23    5 o   23.390   1.0832  530.967   49.029  489.932   66.306  580.472   72.829   22.400   1.5249   24.381   1.5388 -1.980736 2.166409 
1 1 1   21   23    6 o   10.024   2.2764   96.307   49.588   84.468   64.310  113.669   77.876   9.3636   3.0675   10.685   3.3643 -1.321548 4.552772 
1 1 1   21   23    7 o   37.736   0.8179  1388.58   59.774  1397.61   81.968  1378.33   87.355   37.872   1.1150   37.599   1.1969 0.2733269 1.635735 
1 1 1   21   23    8 o   28.410   0.9822  785.025   54.035  733.042   73.451  846.345   79.775   27.390   1.3814   29.429   1.3965 -2.038633 1.964300 
1 1 1   21   23    9 o   15.357   1.7612  234.680   50.985  199.415   68.044  279.825   76.988   13.928   2.6126   16.787   2.3626 -2.858138 3.522477 
1 1 1   21   23   10 o   25.495   1.1004  644.459   53.910  724.692   74.756  557.521   77.817   27.190   1.4164   23.800   1.6844 3.389956 2.200715 
1 1 1   21   23   11 o   31.469   0.9205  970.607   56.231  976.022   79.604  965.215   79.442   31.557   1.2995   31.380   1.3041 0.1762791 1.841065 
1 1 1   21   23   12 o   31.994   0.9546  1016.06   58.574  1111.26   79.568  903.439   86.543   33.682   1.2170   30.305   1.4711 3.376202 1.909239 
1 1 1   21   23   13 o   33.214   0.9254  1072.74   59.010  1014.56   77.096  1155.04   91.695   32.159   1.2350   34.268   1.3784 -2.109516 1.850762 
1 1 1   21   23   14 o   20.619   1.4661  427.983   58.462  416.214   85.706  438.224   79.949   20.319   2.1729   20.919   1.9688 -0.6001453 2.932168 
1 1 1   21   23   15 o   17.729   1.6628  319.790   57.152  339.966   83.272  301.823   78.582   18.257   2.3496   17.201   2.3534 1.056002 3.325581 
1 1 1   21   23   16 o   15.793   2.5185  286.084   74.160  299.770   95.142  264.893  118.384   16.569   3.0712   15.018   3.9923 1.551169 5.036916 
1 1 1   21   23   17 o   16.764   2.5405  317.924   78.840  292.981  101.176  356.483  125.794   16.092   3.3479   17.436   3.8220 -1.344040 5.080969 
1 1 1   21   24    0 o   14.487   1.7290  216.889   45.812  280.543   63.667  148.546   65.970   16.938   1.9364   12.036   2.8649 4.901633 3.457959 
1 1 1   21   24    1 o   47.309   0.7044  2176.06   64.680  2140.40   90.391  2213.48   92.592   46.912   0.9926   47.705   0.9999 -0.7934341 1.408896 
1 1 1   21   24    2 o   14.403   1.7403  204.555   47.380  179.180   63.308  236.865   71.437   13.278   2.5488   15.527   2.3701 -2.248616 3.480510 
1 1 1   21   24    3 o   65.745   0.7379  4208.43   94.114  4319.94  132.057  4093.33  134.161   66.634   1.0209   64.856   1.0656 1.778267 1.475782 
1 1 1   21   24    4 f   45.851   0.7494  2044.87   66.386  2032.19   89.504  2060.37   98.976   45.699   1.0090   46.002   1.1084 -0.3035545 1.498828 
1 1 1   21   24    5 o   41.350   0.7832  1668.14   62.656  1704.91   85.753  1626.04   91.772   41.846   1.0557   40.854   1.1572 0.9921341 1.566383 
1 1 1   21   24    6 o   24.797   1.0979  601.804   52.792  621.147   73.857  581.596   75.489   25.210   1.5092   24.384   1.5948 0.8256760 2.195750 
1 1 1   21   24    7 o   8.5785   2.2686   55.474   52.288   81.576   68.887   19.994   80.315   9.3304   3.1771   7.8267   3.2391 1.503700 4.537187 
1 1 1   21   24    8 o   51.485   0.7378  2585.35   73.670  2647.80  102.864  2519.59  105.560   52.129   1.0165   50.841   1.0696 1.288292 1.475587 
1 1 1   21   24    9 o   23.258   1.2061  532.872   53.672  537.463   70.398  526.497   82.943   23.404   1.5495   23.111   1.8488 0.2928600 2.412258 
1 1 1   21   24   10 o   38.226   0.7998  1429.59   59.237  1459.86   81.800  1396.22   85.897   38.662   1.0899   37.791   1.1709 0.8701973 1.599691 
1 1 1   21   24   11 o   15.547   1.8315  244.770   53.937  223.342   71.853  272.430   81.635   14.668   2.6196   16.426   2.5602 -1.757767 3.662956 
1 1 1   21   24   12 f   38.126   0.8661  1425.79   63.983  1450.85   88.315  1398.10   92.824   38.492   1.1820   37.761   1.2664 0.7309875 1.732254 
1 1 1   21   24   13 o   21.539   1.3078  459.300   54.339  536.124   79.779  392.816   74.216   23.233   1.7690   19.845   1.9266 3.388174 2.615539 
1 1 1   21   24   14 o   17.339   1.7241  305.017   57.408  249.173   78.415  369.521   84.276   15.582   2.5924   19.096   2.2736 -3.513405 3.448174 
1 1 1   21   24   15 f   19.399   1.6419  381.512   61.523  359.012   82.218  410.138   92.741   18.780   2.2553   20.017   2.3867 -1.236994 3.283726 
1 1 1   21   24   16 o   10.161   2.6886   99.435   75.728  149.291   98.425   27.100  118.554   11.483   3.7964   8.8382   3.8080 2.645238 5.377166 
1 1 1   21   25    0 o   22.915   1.0244  514.940   44.978  532.573   59.632  491.670   68.503   23.382   1.3138   22.448   1.5720 0.9335461 2.048768 
1 1 1   21   25    1 o   33.493   0.7879  1099.48   50.794  1168.40   68.944  1017.66   75.120   34.656   1.0248   32.329   1.1970 2.326290 1.575789 
1 1 1   21   25    2 o   18.363   1.8454  360.084   57.358  279.540   99.771  399.845   70.100   16.503   3.2300   20.222   1.7858 -3.718504 3.690811 
1 1 1   21   25    3 o   9.5496   1.9398   63.584   46.606 -25.3003   62.054  178.596   70.588   5.9100   2.6419   13.189   2.8410 -7.279241 3.879545 
1 1 1   21   25    4 o   24.124   1.0864  568.007   50.841  556.067   70.384  581.035   73.520   23.860   1.5196   24.387   1.5530 -0.5263767 2.172817 
1 1 1   21   25    5 o   42.786   0.7633  1786.70   63.242  1851.65   87.496  1715.64   91.515   43.608   1.0336   41.964   1.1234 1.644169 1.526584 
1 1 1   21   25    6 o   40.551   0.7603  1601.90   59.579  1601.47   80.559  1602.42   88.518   40.552   1.0234   40.550   1.1246 0.2216339E-02 1.520502 
1 1 1   21   25    7 o   56.410   0.7143  3100.16   78.169  3247.16  111.017  2955.62  110.085   57.740   0.9905   55.080   1.0296 2.660660 1.428680 
1 1 1   21   25    8 o   26.326   1.0718  679.031   54.568  678.511   74.056  679.648   80.714   26.325   1.4492   26.326   1.5794 -0.6484985E-03 2.143526 
1 1 1   21   25    9 o   25.066   1.0754  620.696   51.963  688.747   72.474  548.700   74.544   26.509   1.4084   23.623   1.6256 2.886122 2.150816 
1 1 1   21   25   10 o   35.754   0.8896  1247.67   61.222  1220.23   81.081  1284.07   93.376   35.317   1.1827   36.192   1.3291 -0.8745232 1.779127 
1 1 1   21   25   11 f   25.978   1.1530  669.533   57.765  708.939   78.930  624.084   84.767   26.835   1.5152   25.122   1.7382 1.713100 2.305941 
1 1 1   21   25   12 o   21.136   1.3050  443.518   53.533  431.569   75.108  455.855   76.322   20.844   1.8562   21.428   1.8348 -0.5840912 2.610016 
1 1 1   21   25   13 o   12.473   2.2715  169.434   55.217  173.652   74.508  164.295   82.242   12.682   3.0614   12.264   3.3567 0.4173183 4.543094 
1 1 1   21   25   14 o   23.599   1.3449  554.132   61.323  520.750   82.054  596.364   92.293   22.818   1.8525   24.379   1.9502 -1.561449 2.689822 
1 1 1   21   25   15 o   24.409   1.5103  608.831   70.907  525.446  101.288  688.967   99.295   22.672   2.3014   26.145   1.9565 -3.472952 3.020653 
1 1 1   21   25   16 o   12.728   2.8489  194.355   79.403  213.821  102.576  165.252  125.425   13.498   3.7699   11.958   4.2723 1.539865 5.697806 
1 1 1   21   26    0 o   57.779   0.7013  3247.54   78.657  3259.90  110.744  3234.95  111.739   57.891   0.9855   57.667   0.9982 0.2236443 1.402690 
1 1 1   21   26    1 o   52.975   0.9448  2760.82   87.833  2675.11  162.734  2796.06  104.335   52.341   1.6017   53.609   1.0026 -1.268509 1.889584 
1 1 1   21   26    2 o   41.102   0.7638  1647.43   60.819  1748.19   85.448  1543.98   86.585   42.383   1.0386   39.822   1.1201 2.561054 1.527523 
1 1 1   21   26    3 o   65.549   0.7339  4182.28   93.335  4174.77  129.761  4190.32  134.350   65.492   1.0207   65.607   1.0549 -0.1155624 1.467878 
1 1 1   21   26    4 o   7.3070   2.0367   3.7761   47.101 -55.1588   63.247   77.156   70.574   5.3865   2.5042   9.2276   3.2127 -3.841077 4.073384 
1 1 1   21   26    5 f   5.9553   1.9082 -37.4102   47.800 -23.0634   66.170 -53.0675   69.126   6.1657   2.7442   5.7448   2.6523 0.4209719 3.816433 
1 1 1   21   26    6 o   22.606   1.2020  500.464   52.431  496.861   70.293  504.981   78.718   22.526   1.6075   22.686   1.7875 -0.1598454 2.404025 
1 1 1   21   26    7 o   8.5354   2.2929   54.493   52.110   54.464   69.300   54.529   79.046   8.3763   3.1453   8.6945   3.3370 -0.3181763 4.585743 
1 1 1   21   26    8 o   7.5623   2.1253   14.617   50.550 -41.0225   69.974   75.347   73.105   5.9740   2.7246   9.1505   3.2625 -3.176428 4.250565 
1 1 1   21   26    9 o   8.8231   2.2203   57.674   50.654   11.201   67.680  116.857   76.377   6.9938   2.9397   10.652   3.3282 -3.658457 4.440552 
1 1 1   21   26   10 o   29.643   1.0070  862.545   57.915  834.222   80.422  893.057   83.471   29.138   1.4218   30.147   1.4263 -1.008837 2.013967 
1 1 1   21   26   11 o   45.870   0.7755  2058.79   69.006  2093.22   96.298  2022.45   98.935   46.272   1.0721   45.468   1.1209 0.8042107 1.551080 
1 1 1   21   26   12 o   19.226   1.5557  371.535   57.913  374.449   79.341  368.212   84.726   19.332   2.1143   19.120   2.2827 0.2112103 3.111434 
1 1 1   21   26   13 o   26.998   1.1998  725.495   62.593  810.966   89.160  642.434   87.893   28.602   1.6059   25.395   1.7830 3.206600 2.399538 
1 1 1   21   26   14 o   13.915   2.3960  215.747   63.841  207.854   96.525  221.884   85.118   13.591   3.6010   14.240   3.1617 -0.6490431 4.792066 
1 1 1   21   26   15 o   15.328   2.3693  312.243   79.465  458.802   98.758   43.097  133.833   21.102   2.4109   9.5534   4.0794 11.54851 4.738596 
1 1 1   21   26   16 o   46.741   1.1894  2203.23  107.022  2282.29  144.169  2106.19  159.729   47.794   1.5540   45.689   1.8010 2.104359 2.378703 
1 1 1   21   27    0 o   32.604   0.8098  1037.65   51.030  1153.10   72.352  923.378   71.983   34.419   1.0829   30.790   1.2044 3.629129 1.619630 
1 1 1   21   27    1 o   35.484   0.7689  1225.95   52.927  1229.82   73.571  1221.80   76.197   35.544   1.0663   35.424   1.1081 0.1202278 1.537797 
1 1 1   21   27    2 o   41.489   0.7260  1677.76   58.357  1793.67   82.436  1561.33   82.624   42.931   0.9892   40.046   1.0629 2.885185 1.451956 
1 1 1   21   27    3 o   27.209   0.9433  721.898   49.520  718.565   66.416  726.071   74.312   27.146   1.2604   27.272   1.4037 -0.1262150 1.886521 
1 1 1   21   27    4 o   8.9364   2.2151   71.874   47.935   87.581   62.284   49.055   75.074   9.4410   3.0126   8.4318   3.2481 1.009175 4.430127 
1 1 1   21   27    5 o   8.5983   2.2281   57.797   48.429   41.103   63.576   80.877   74.752   7.7570   2.9888   9.4396   3.3053 -1.682575 4.456195 
1 1 1   21   27    6 o   11.697   2.1353  143.540   49.248  166.297   67.448  117.553   72.076   12.670   2.8155   10.724   3.2110 1.945204 4.270517 
1 1 1   21   27    7 o   8.6285   2.2338   58.446   48.480   39.967   62.699   85.921   76.452   7.6547   2.9628   9.6023   3.3438 -1.947659 4.467564 
1 1 1   21   27    8 o   18.809   1.4171  356.857   50.678  399.350   68.100  304.120   75.866   20.132   1.7426   17.485   2.2352 2.647604 2.834193 
1 1 1   21   27    9 o   46.517   0.7779  2118.91   69.978  2169.75   95.609  2060.25  102.700   47.135   1.0449   45.899   1.1527 1.235538 1.555802 
1 1 1   21   27   10 o   10.888   2.2904  124.848   52.092  135.686   74.095  114.255   73.250   11.300   3.2211   10.475   3.2571 0.8244104 4.580845 
1 1 1   21   27   11 o   19.847   1.4979  401.370   56.341  483.181   78.149  312.825   81.302   22.069   1.8242   17.625   2.3764 4.444212 2.995813 
1 1 1   21   27   12 f   29.304   1.0796  840.700   61.110  770.585   81.630  930.094   92.173   27.934   1.5054   30.674   1.5480 -2.740141 2.159278 
1 1 1   21   27   13 o   9.4195   2.4591   82.734   59.048   74.197   92.245   88.661   76.858   9.3598   3.6019   9.4792   3.3489 -0.1193695 4.918171 
1 1 1   21   27   14 o   14.694   2.0985  233.275   58.667  290.372   83.300  177.080   82.640   16.773   2.5585   12.616   3.3269 4.156910 4.196906 
1 1 1   21   27   15 f   10.364   2.8094  103.955   81.516  140.995  104.642   46.785  130.003   11.251   3.9123   9.4771   4.0331 1.773481 5.618880 
1 1 1   21   28    0 o   39.152   0.7374  1494.61   55.948  1558.10   78.031  1427.44   80.261   40.013   1.0046   38.290   1.0798 1.722332 1.474885 
1 1 1   21   28    1 o   39.466   0.7486  1518.54   57.241  1555.10   79.119  1478.39   82.917   39.970   1.0197   38.963   1.0963 1.007145 1.497240 
1 1 1   21   28    2 o   50.369   0.7009  2468.18   68.462  2439.12   94.512  2500.27   99.307   50.060   0.9726   50.678   1.0095 -0.6180992 1.401769 
1 1 1   21   28    3 o   49.682   0.7171  2403.11   69.116  2394.85   96.017  2411.99   99.570   49.596   0.9973   49.768   1.0307 -0.1719437 1.434191 
1 1 1   21   28    4 o   26.588   1.0293  690.834   53.109  686.581   74.229  695.294   76.019   26.506   1.4427   26.670   1.4684 -0.1643906 2.058500 
1 1 1   21   28    5 o   18.812   1.8157  313.923   61.133  261.517   71.553  455.571  117.637   16.265   2.2662   21.358   2.8374 -5.092985 3.631315 
1 1 1   21   28    6 o   20.386   1.4399  418.100   55.795  491.662   76.792  335.840   81.205   22.364   1.7689   18.408   2.2726 3.956181 2.879845 
1 1 1   21   28    7 o   33.923   0.8560  1123.48   56.309  1054.93   78.327  1196.79   81.007   32.850   1.2283   34.996   1.1924 -2.146309 1.711915 
1 1 1   21   28    8 o   23.030   1.1839  519.716   52.769  486.581   71.332  559.765   78.423   22.228   1.6532   23.832   1.6952 -1.604181 2.367858 
1 1 1   21   28    9 o   15.545   1.8178  246.321   53.263  208.972   73.048  288.720   77.830   14.131   2.7620   16.959   2.3641 -2.828449 3.635650 
1 1 1   21   28   10 o   19.365   1.4611  373.246   54.307  370.329   71.555  377.210   83.402   19.313   1.9086   19.417   2.2127 -0.1038475 2.922164 
1 1 1   21   28   11 o   22.408   1.2732  496.871   55.234  475.418   74.905  522.436   81.771   21.890   1.7628   22.925   1.8375 -1.035358 2.546306 
1 1 1   21   28   12 o   19.752   1.5652  395.215   58.199  387.446   93.860  400.067   74.182   19.497   2.4800   20.007   1.9101 -0.5103645 3.130319 
1 1 1   21   28   13 o   33.066   1.0167  1071.92   64.937  940.772   87.702  1231.09   96.615   30.835   1.4652   35.298   1.4100 -4.463181 2.033480 
1 1 1   21   28   14 o   16.264   2.6113  303.433   79.534  314.365  102.996  287.286  125.176   16.892   3.2590   15.635   4.0808 1.257477 5.222516 
1 1 1   21   28   15 o   15.048   2.6113  247.392   77.087  158.266   98.772  386.274  123.297   11.708   3.7999   18.389   3.5829 -6.680490 5.222655 
1 1 1   21   29    0 o   21.384   1.1022  447.022   45.534  447.839   61.522  446.033   67.712   21.413   1.4801   21.355   1.6335 0.5789948E-01 2.204312 
1 1 1   21   29    1 o   7.6790   2.0757   40.965   43.388   51.768   59.568   28.757   63.324   7.9916   2.9318   7.3664   2.9391 0.6252623 4.151356 
1 1 1   21   29    2 o   48.276   0.7074  2268.01   66.278  2208.66   92.534  2330.52   94.976   47.628   1.0009   48.924   1.0000 -1.296410 1.414855 
1 1 1   21   29    3 o   36.844   0.7831  1313.73   55.807  1212.69   75.155  1437.92   83.319   35.277   1.0975   38.411   1.1174 -3.133827 1.566265 
1 1 1   21   29    4 o   30.483   0.9514  909.246   56.082  926.675   76.469  888.959   82.498   30.810   1.2786   30.157   1.4092 0.6522350 1.902835 
1 1 1   21   29    5 o   25.376   1.1005  631.396   54.179  645.162   75.869  617.070   77.396   25.664   1.5229   25.089   1.5892 0.5751629 2.201091 
1 1 1   21   29    6 o   59.383   0.7319  3439.02   84.342  3564.88  120.062  3316.41  118.509   60.459   1.0230   58.308   1.0470 2.151680 1.463838 
1 1 1   21   29    7 f   40.897   0.7977  1627.09   62.925  1575.64   83.822  1693.53   95.248   40.172   1.0749   41.623   1.1789 -1.450760 1.595343 
1 1 1   21   29    8 o   12.913   2.0424  168.142   51.833  107.879   69.063  245.867   78.433   10.214   3.1605   15.613   2.5880 -5.398633 4.084855 
1 1 1   21   29    9 o   33.172   0.9093  1074.03   58.326  1025.88   78.441  1133.58   87.226   32.354   1.2490   33.990   1.3220 -1.636192 1.818664 
1 1 1   21   29   10 f   22.917   1.3413  520.027   59.512  496.335   80.676  548.308   88.144   22.357   1.8589   23.477   1.9341 -1.119570 2.682638 
1 1 1   21   29   11 o   29.169   1.2586  893.489   66.823  668.802  106.032  1041.53   86.066   25.811   2.1162   32.527   1.3631 -6.716248 2.517224 
1 1 1   21   29   12 o   23.580   1.3177  559.869   59.803  601.976   81.664  511.176   87.819   24.597   1.7103   22.563   2.0050 2.034042 2.635394 
1 1 1   21   29   13 o   22.774   1.4509  519.964   62.639  507.178   80.009  540.211  100.680   22.504   1.8316   23.044   2.2507 -0.5405159 2.901776 
1 1 1   21   29   14 o   12.338   2.8234  177.163   77.327  191.184  101.237  157.527  119.807   12.850   3.7957   11.826   4.1808 1.023793 5.646837 
1 1 1   21   29   15 o   8.4137   2.5805   16.527   79.161   49.444  106.952 -23.3547  117.722   8.9070   3.7163   7.9204   3.5812 0.9865890 5.161005 
1 1 1   21   30    0 o   36.175   0.7639  1283.04   53.119  1344.31   71.381  1207.00   79.520   37.160   0.9896   35.190   1.1641 1.969410 1.527872 
1 1 1   21   30    1 o   24.910   0.9938  604.593   47.880  589.409   64.666  623.019   71.234   24.570   1.3558   25.250   1.4533 -0.6797752 1.987550 
1 1 1   21   30    2 o   36.538   0.7819  1301.04   55.387  1300.77   76.403  1301.35   80.407   36.537   1.0772   36.538   1.1337 -0.5187988E-03 1.563845 
1 1 1   21   30    3 o   40.313   0.7303  1583.34   57.052  1582.76   78.443  1583.99   83.129   40.310   1.0025   40.317   1.0622 -0.6729126E-02 1.460565 
1 1 1   21   30    4 o   34.220   0.8322  1133.54   54.854  1073.36   72.453  1214.35   83.965   33.172   1.1252   35.267   1.2265 -2.094929 1.664416 
1 1 1   21   30    5 f   20.158   1.3151  406.516   50.602  447.345   68.073  356.093   75.649   21.340   1.6433   18.976   2.0537 2.364233 2.630269 
1 1 1   21   30    6 o   39.373   0.8148  1516.52   62.183  1559.55   86.466  1470.42   89.491   39.961   1.1147   38.785   1.1886 1.175106 1.629522 
1 1 1   21   30    7 o   19.379   1.4225  372.877   53.379  374.479   73.102  371.047   78.129   19.439   1.9373   19.318   2.0834 0.1204472 2.844926 
1 1 1   21   30    8 o   10.665   2.3119  117.882   52.893   95.363   73.507  142.062   76.168   9.7817   3.2822   11.547   3.2569 -1.765563 4.623876 
1 1 1   21   30    9 o   18.333   1.6029  333.656   56.561  278.511   76.380  400.616   84.166   16.647   2.3637   20.020   2.1657 -3.373516 3.205812 
1 1 1   21   30   10 o   29.335   1.0307  847.865   58.672  843.075   81.845  852.930   84.153   29.254   1.4412   29.415   1.4738 -0.1605759 2.061364 
1 1 1   21   30   11 o   22.947   1.3531  532.555   58.557  556.025   75.515  497.155   92.740   23.676   1.6431   22.218   2.1503 1.458061 2.706190 
1 1 1   21   30   12 f   8.9288   2.2576   63.113   56.743  130.752   75.507 -24.6488   86.008   10.960   3.2876   6.8974   3.0949 4.062910 4.515140 
1 1 1   21   30   13 o   13.437   2.8442  201.400   77.673  174.053   97.144  249.874  129.332   12.379   3.7326   14.496   4.2924 -2.117085 5.688342 
1 1 1   21   30   14 o   8.0838   2.5388  -5.1643   79.401 -10.9172  107.764   1.6677  117.438   7.8293   3.4920   8.3382   3.6861 -0.5089164 5.077579 
1 1 1   21   31    0 o   6.9787   2.0303   15.997   44.525   28.522   62.820   3.3549   63.115   7.3285   2.9263   6.6289   2.8153 0.6995740 4.060679 
1 1 1   21   31    1 o   30.516   0.8809  911.628   51.914  1018.77   73.469  804.783   73.367   32.322   1.1710   28.710   1.3165 3.612192 1.761874 
1 1 1   21   31    2 o   21.581   1.1985  458.500   49.950  509.291   70.421  407.073   70.861   22.802   1.5910   20.360   1.7929 2.441374 2.397027 
1 1 1   21   31    3 o   12.292   1.9548  158.985   49.252  245.713   68.645   66.967   70.707   15.754   2.2447   8.8304   3.2011 6.923076 3.909698 
1 1 1   21   31    4 o   14.109   1.8072  202.774   48.131  171.876   67.626  234.493   68.517   12.854   2.7904   15.363   2.2975 -2.509880 3.614476 
1 1 1   21   31    5 o   32.715   0.9226  1045.78   58.539  1000.49   80.841  1095.71   84.879   31.972   1.3026   33.458   1.3069 -1.485979 1.845160 
1 1 1   21   31    6 o   53.005   0.7609  2745.09   78.241  2774.69  109.163  2713.82  112.198   53.306   1.0550   52.705   1.0966 0.6008072 1.521707 
1 1 1   21   31    7 o   24.586   1.2026  598.099   56.994  606.627   76.571  587.503   85.344   24.810   1.5899   24.362   1.8047 0.4474945 2.405136 
1 1 1   21   31    8 o   31.282   0.9552  954.224   57.737  897.289   77.297  1026.08   86.838   30.242   1.3167   32.321   1.3841 -2.079502 1.910320 
1 1 1   21   31    9 o   32.083   0.9841  1011.43   61.240  957.319   85.401  1068.71   87.863   31.195   1.4103   32.971   1.3728 -1.776575 1.968153 
1 1 1   21   31   10 o   26.385   1.1626  687.921   59.399  664.019   80.711  716.164   87.734   25.899   1.6054   26.871   1.6820 -0.9720592 2.325152 
1 1 1   21   31   11 o   16.070   1.9296  266.460   58.597  233.439   78.103  308.985   88.631   14.807   2.8203   17.333   2.6342 -2.525923 3.859160 
1 1 1   21   31   12 o   43.950   1.0252  1916.05   83.166  1925.36  103.014  1898.61  140.933   44.239   1.1996   43.661   1.6628 0.5775528 2.050370 
1 1 1   21   31   13 o   21.406   1.9306  482.974   79.124  500.731  105.141  459.784  120.152   22.011   2.4607   20.801   2.9756 1.209934 3.861300 
1 1 1   21   31   14 o   18.247   2.4009  378.043   80.601  399.443  103.960  345.796  127.617   19.407   2.7595   17.086   3.9297 2.321779 4.801828 
1 1 1   21   32    0 o   52.315   0.7055  2666.48   71.627  2721.14  101.000  2611.17  101.594   52.857   0.9844   51.773   1.0109 1.083954 1.410971 
1 1 1   21   32    1 o   41.106   0.7558  1643.15   60.239  1551.72   82.902  1745.41   87.681   39.898   1.0704   42.315   1.0674 -2.417320 1.511699 
1 1 1   21   32    2 o   18.414   1.3075  335.226   46.495  368.295   65.100  300.795   66.427   19.361   1.7322   17.467   1.9591 1.893549 2.615088 
1 1 1   21   32    3 o   18.973   1.3278  353.844   48.360  286.794   66.263  430.256   70.738   17.035   2.0038   20.911   1.7427 -3.875772 2.655569 
1 1 1   21   32    4 o   41.567   0.7790  1689.59   62.617  1718.13   85.329  1656.30   92.173   41.960   1.0476   41.174   1.1532 0.7854881 1.558011 
1 1 1   21   32    5 o   44.629   0.7683  1951.97   66.248  2025.67   90.496  1866.88   97.244   45.556   1.0233   43.702   1.1463 1.853233 1.536620 
1 1 1   21   32    6 o   61.327   0.7468  3677.45   88.729  3719.05  122.128  3630.94  129.129   61.709   1.0195   60.946   1.0915 0.7629700 1.493574 
1 1 1   21   32    7 o   35.271   0.8562  1208.06   58.276  1127.70   77.464  1312.83   88.454   33.940   1.1758   36.602   1.2449 -2.661175 1.712402 
1 1 1   21   32    8 o   11.339   2.2757  134.497   53.092  102.284   72.158  172.521   78.395   9.9989   3.2480   12.679   3.1884 -2.680305 4.551381 
1 1 1   21   32    9 o   40.949   0.8301  1641.99   65.864  1611.33   90.103  1677.18   96.519   40.549   1.1447   41.349   1.2025 -0.7997131 1.660225 
1 1 1   21   32   10 o   21.592   1.4668  464.362   60.667  443.737   78.899  494.195   94.888   21.061   1.9299   22.124   2.2095 -1.062946 2.933657 
1 1 1   21   32   11 o   28.082   1.2965  760.820   66.702  708.602   80.680  873.586  118.562   26.729   1.5549   29.434   2.0751 -2.704239 2.593041 
1 1 1   21   32   12 o   10.136   2.5548   98.730   66.957  154.476   93.707   40.577   95.709   11.736   3.6897   8.5364   3.5347 3.199576 5.109541 
1 1 1   21   32   13 o   7.3949   2.3944 -46.9602   76.791 -72.9573  102.060 -13.0393  116.580   6.7082   3.1392   8.0817   3.6163 -1.373542 4.788796 
1 1 1   21   33    0 o   7.9314   1.9810   40.873   43.795  100.265   60.168 -26.0525   63.869   9.9035   2.9265   5.9593   2.6709 3.944247 3.962091 
1 1 1   21   33    1 o   41.882   0.7331  1718.42   59.235  1799.24   80.668  1623.85   87.262   42.968   0.9671   40.796   1.1019 2.172474 1.466131 
1 1 1   21   33    2 o   39.965   0.7567  1552.22   58.548  1476.08   79.339  1643.28   86.757   38.897   1.0508   41.033   1.0892 -2.136070 1.513409 
1 1 1   21   33    3 o   26.758   0.9508  707.859   48.830  758.641   65.895  646.012   72.720   27.854   1.2187   25.662   1.4598 2.191870 1.901647 
1 1 1   21   33    4 f   25.792   1.0066  654.736   49.814  666.518   65.983  639.122   75.960   26.086   1.3031   25.499   1.5346 0.5865955 2.013193 
1 1 1   21   33    5 o   22.568   1.2459  502.754   54.336  495.984   73.235  511.044   81.041   22.417   1.6829   22.719   1.8376 -0.3016376 2.491783 
1 1 1   21   33    6 o   30.387   0.9835  907.669   57.963  925.999   80.809  888.245   83.188   30.712   1.3554   30.062   1.4255 0.6506729 1.967085 
1 1 1   21   33    7 o   20.425   1.3848  408.697   54.487  353.361   72.343  481.233   82.828   18.846   1.9775   22.004   1.9392 -3.157503 2.769611 
1 1 1   21   33    8 o   36.025   0.8831  1274.39   61.718  1305.44   86.521  1242.21   88.064   36.480   1.2218   35.569   1.2754 0.9111786 1.766218 
1 1 1   21   33    9 f   19.852   1.5302  402.629   57.421  427.856   74.816  366.469   89.572   20.713   1.8608   18.991   2.4298 1.721907 3.060444 
1 1 1   21   33   10 o   52.924   0.9510  2780.90   89.151  2810.20  106.605  2712.75  162.591   53.563   1.0253   52.285   1.6020 1.278229 1.901973 
1 1 1   21   33   11 o   13.603   2.2830  208.967   59.492  237.926   78.469  169.821   91.233   14.906   2.8152   12.301   3.5948 2.604665 4.565901 
1 1 1   21   33   12 o   31.516   1.4911  1025.15   88.577  1085.85  114.820  935.930  139.207   32.881   1.7989   30.150   2.3785 2.730703 2.982160 
1 1 1   21   33   13 o   21.037   2.0166  466.866   81.903  419.769  109.287  527.207  123.703   19.850   2.8363   22.223   2.8675 -2.373775 4.033262 
1 1 1   21   34    0 o   32.931   0.8033  1052.78   51.134  996.933   68.605  1122.59   76.698   31.959   1.1059   33.902   1.1654 -1.943747 1.606608 
1 1 1   21   34    1 o   67.011   0.7320  4382.69   95.161  4433.44  132.855  4329.21  136.371   67.416   1.0152   66.606   1.0547 0.8103333 1.463930 
1 1 1   21   34    2 o   16.119   1.5376  258.304   48.102  258.014   67.347  258.607   68.727   16.114   2.1531   16.125   2.1957 -0.1100922E-01 3.075186 
1 1 1   21   34    3 o   10.929   2.1193  124.113   48.779  176.987   68.944   71.119   69.023   12.994   2.8148   8.8636   3.1691 4.129950 4.238648 
1 1 1   21   34    4 o   18.233   1.4648  330.270   51.453  325.588   68.494  336.336   77.952   18.111   1.9483   18.354   2.1879 -0.2433815 2.929587 
1 1 1   21   34    5 o   42.893   0.7974  1798.19   66.342  1698.21   92.434  1904.41   95.273   41.660   1.1430   44.126   1.1123 -2.466251 1.594880 
1 1 1   21   34    6 o   26.439   1.1518  688.753   58.908  677.094   79.760  702.746   87.376   26.209   1.5677   26.668   1.6878 -0.4593506 2.303590 
1 1 1   21   34    7 o   11.291   2.1309  133.876   51.284   64.600   72.228  204.308   72.829   8.6637   3.2194   13.919   2.7925 -5.255363 4.261755 
1 1 1   21   34    8 o   10.619   2.2296  123.457   53.966  173.394   69.172   45.786   86.267   12.742   2.8661   8.4961   3.4162 4.245452 4.459226 
1 1 1   21   34    9 o   7.7323   2.3906  -2.4727   61.851 -13.0552   73.154   24.058  115.829   6.5810   2.9093   8.8836   3.7943 -2.302596 4.781279 
1 1 1   21   34   10 o   34.734   0.9965  1205.62   66.403  1330.93   90.719  1061.00   97.460   36.758   1.2714   32.710   1.5349 4.048149 1.993083 
1 1 1   21   34   11 o   9.2681   2.5550   72.547   66.434   82.128   93.195   62.648   94.727   9.5068   3.6294   9.0294   3.5972 0.4773760 5.110042 
1 1 1   21   34   12 o   12.317   2.6583  176.297   76.949  259.160  103.042   71.828  115.698   15.007   3.5861   9.6261   3.9250 5.380919 5.316571 
1 1 1   21   35    0 o   28.319   0.8947  787.603   48.946  870.979   68.955  702.936   69.487   29.848   1.1901   26.790   1.3362 3.058645 1.789344 
1 1 1   21   35    1 o   49.342   0.7183  2376.12   68.777  2378.79   96.092  2373.31   98.483   49.374   1.0026   49.310   1.0289 0.6395721E-01 1.436590 
1 1 1   21   35    2 o   9.0372   2.1947   69.800   49.618   22.022   69.010  120.933   71.392   7.3261   3.0143   10.748   3.1906 -3.422214 4.389315 
1 1 1   21   35    3 o   8.9505   2.0579   61.609   48.194 -16.4902   67.517  142.743   68.816   6.3049   2.7907   11.596   3.0253 -5.291248 4.115887 
1 1 1   21   35    4 o   23.861   1.1694  567.804   53.580  633.552   73.820  494.601   77.892   25.372   1.4988   22.350   1.7953 3.021326 2.338743 
1 1 1   21   35    5 f   15.979   1.6790  257.280   51.860  264.885   70.891  248.525   76.063   16.263   2.2456   15.695   2.4965 0.5673723 3.357905 
1 1 1   21   35    6 o   6.7788   2.0862  -6.0139   51.180 -15.4829   69.057   5.5257   76.234   6.3816   2.8236   7.1761   3.0719 -0.7944636 4.172482 
1 1 1   21   35    7 o   9.7784   2.2823   73.665   54.249   12.152   69.135  172.227   87.513   7.0109   2.9603   12.546   3.4744 -5.535048 4.564502 
1 1 1   21   35    8 o   21.525   1.6089  458.789   63.351  439.211   76.945  499.990  111.622   20.964   1.8907   22.085   2.6037 -1.120684 3.217757 
1 1 1   21   35    9 o   20.505   1.4532  420.105   57.608  381.099   77.521  468.214   86.092   19.451   2.0531   21.559   2.0572 -2.107288 2.906390 
1 1 1   21   35   10 o   32.909   1.1707  1073.49   74.539  1151.34  111.070  1009.69  100.543   33.974   1.6842   31.844   1.6265 2.129587 2.341372 
1 1 1   21   35   11 o   20.517   2.0631  446.743   79.976  447.376  102.472  445.758  127.921   20.745   2.5446   20.288   3.2481 0.4567280 4.126191 
1 1 1   21   35   12 o   13.244   2.8215  210.377   78.127  215.004  102.253  203.887  121.102   13.509   3.7608   12.980   4.2070 0.5286188 5.642957 
1 1 1   21   36    0 o   26.768   0.9602  707.182   49.468  745.022   66.918  661.592   73.453   27.584   1.2498   25.952   1.4580 1.631371 1.920348 
1 1 1   21   36    1 o   9.8251   2.1336   98.509   46.357  132.229   64.115   61.575   67.103   11.186   2.9210   8.4638   3.1107 2.722650 4.267188 
1 1 1   21   36    2 o   20.389   1.2476  407.938   48.716  323.320   65.962  509.480   72.258   18.055   1.8821   22.723   1.6381 -4.668491 2.495131 
1 1 1   21   36    3 o   9.8248   2.1938   93.196   47.134   64.601   61.413  134.182   73.525   8.4081   2.9911   11.241   3.2102 -2.833232 4.387671 
1 1 1   21   36    4 o   27.300   1.0064  736.173   52.348  751.913   68.259  713.696   81.568   27.692   1.2698   26.909   1.5616 0.7828312 2.012703 
1 1 1   21   36    5 o   23.029   1.3421  526.996   59.932  537.427   87.140  517.633   82.559   23.235   1.9320   22.823   1.8635 0.4120178 2.684239 
1 1 1   21   36    6 o   23.930   1.2193  560.144   56.208  502.251   74.161  638.292   86.162   22.506   1.6975   25.354   1.7507 -2.848518 2.438512 
1 1 1   21   36    7 o   18.462   1.5167  340.219   53.744  324.002   70.244  363.115   83.467   17.976   2.0131   18.948   2.2693 -0.9721279 3.033482 
1 1 1   21   36    8 o   11.399   2.3946  138.468   57.073  109.116   75.881  176.704   86.607   10.172   3.3320   12.626   3.4400 -2.453930 4.789120 
1 1 1   21   36    9 o   7.9585   2.3081   20.297   58.014 -20.4612   75.503   79.045   90.647   6.5072   2.9111   9.4098   3.5826 -2.902652 4.616240 
1 1 1   21   36   10 o   24.205   1.7982  618.818   81.134  658.123  103.809  557.119  130.061   25.456   2.1008   22.953   2.9191 2.503248 3.596401 
1 1 1   21   36   11 o   26.714   1.6490  736.437   85.374  721.213  117.015  753.766  124.840   26.456   2.2785   26.972   2.3844 -0.5161171 3.298009 
1 1 1   21   37    0 o   20.368   1.1476  407.531   44.937  397.544   59.257  421.048   68.936   20.095   1.5191   20.640   1.7206 -0.5444584 2.295194 
1 1 1   21   37    1 f   16.694   1.4475  277.417   46.611  276.330   62.483  278.780   69.989   16.681   1.9297   16.707   2.1581 -0.2628708E-01 2.895011 
1 1 1   21   37    2 o   15.895   1.5621  253.575   47.744  259.886   63.835  245.562   71.927   16.155   2.0355   15.634   2.3701 0.5216360 3.124222 
1 1 1   21   37    3 o   17.267   1.4743  298.535   49.211  312.784   67.713  282.583   71.643   17.731   1.9673   16.803   2.1965 0.9282646 2.948684 
1 1 1   21   37    4 o   15.508   1.9768  252.154   57.365  313.372   81.756  192.783   80.513   17.622   2.3900   13.394   3.1495 4.227980 3.953686 
1 1 1   21   37    5 o   9.4706   2.3626   86.877   54.262   96.737   73.944   75.372   79.875   9.7718   3.2918   9.1694   3.3898 0.6024523 4.725142 
1 1 1   21   37    6 o   13.563   2.2439  200.241   57.531  203.665   75.590  195.527   88.694   13.794   2.9143   13.331   3.4129 0.4632683 4.487828 
1 1 1   21   37    7 o   9.3287   2.3417   67.225   56.738   10.491   74.701  144.581   87.228   7.1657   3.0535   11.492   3.5512 -4.325949 4.683476 
1 1 1   21   37    8 f   27.383   1.1567  742.752   59.911  731.905   76.368  760.112   96.612   27.196   1.4466   27.569   1.8053 -0.3723755 2.313349 
1 1 1   21   37    9 f   23.339   1.4744  557.860   65.934  502.220   98.002  603.870   89.118   22.169   2.2773   24.509   1.8732 -2.339977 2.948711 
1 1 1   21   37   10 o   9.0314   2.5923   58.195   72.293   87.792   94.224   15.837  112.720   9.6053   3.6536   8.4576   3.6784 1.147721 5.184561 
1 1 1   21   37   11 o   9.3116   2.6318   14.379   80.226 -97.7835  104.636  174.354  124.964   6.4736   3.0744   12.150   4.2725 -5.675941 5.263650 
1 1 1   21   38    0 o   13.761   1.7261  193.096   44.897  190.185   60.398  196.691   67.119   13.780   2.2579   13.742   2.6115 0.3758335E-01 3.452292 
1 1 1   21   38    1 o   24.215   1.0593  582.659   49.012  701.386   69.462  464.942   69.167   26.729   1.3387   21.701   1.6419 5.028660 2.118531 
1 1 1   21   38    2 o   19.500   1.3320  378.052   50.297  380.772   68.935  374.955   73.551   19.592   1.8126   19.409   1.9522 0.1836586 2.663932 
1 1 1   21   38    3 o   27.632   1.1141  762.432   59.026  682.257   87.475  829.452   79.978   26.238   1.7175   29.026   1.4195 -2.787197 2.228116 
1 1 1   21   38    4 o   25.434   1.1189  639.240   55.156  629.034   75.643  650.827   80.597   25.229   1.5445   25.640   1.6193 -0.4105968 2.237824 
1 1 1   21   38    5 o   13.136   2.1052  176.018   54.938  105.516   72.611  270.417   84.021   10.044   3.2579   16.228   2.6672 -6.184199 4.210424 
1 1 1   21   38    6 o   38.236   0.8391  1443.16   61.633  1488.95   82.268  1384.58   93.050   38.968   1.0876   37.505   1.2781 1.463062 1.678198 
1 1 1   21   38    7 o   11.069   2.3313  133.979   53.639  135.136   71.680  132.506   80.860   11.121   3.1675   11.018   3.4215 0.1029215 4.662589 
1 1 1   21   38    8 o   18.890   1.8080  372.106   64.871  350.919  100.780  387.095   84.768   18.293   2.8381   19.488   2.2408 -1.195059 3.616072 
1 1 1   21   38    9 o   7.7888   2.4554 -13.9522   75.685   8.1835  103.802 -39.0765  110.588   8.0660   3.5186   7.5116   3.4256 0.5544224 4.910718 
1 1 1   21   38   10 o   12.802   2.9614  197.513   84.523  202.689  111.457  190.508  129.665   13.016   4.0129   12.588   4.3563 0.4277096 5.922889 
1 1 1   21   39    0 o   20.612   1.2179  428.604   47.553  522.824   66.340  329.027   68.200   23.039   1.4834   18.184   1.9320 4.854469 2.435808 
1 1 1   21   39    1 o   31.044   0.8927  944.597   53.749  917.497   74.118  974.658   78.061   30.579   1.2486   31.509   1.2762 -0.9305191 1.785467 
1 1 1   21   39    2 o   16.285   1.7469  271.780   52.134  368.801   77.038  189.805   70.812   19.192   2.0678   13.377   2.8161 5.815707 3.493741 
1 1 1   21   39    3 o   29.227   0.9688  838.531   54.856  799.888   74.746  883.642   80.759   28.506   1.3508   29.949   1.3891 -1.443129 1.937619 
1 1 1   21   39    4 o   29.271   1.0236  846.200   56.844  847.176   73.112  844.710   90.387   29.345   1.2835   29.196   1.5948 0.1490707 2.047153 
1 1 1   21   39    5 f   23.218   1.2255  525.463   54.306  478.261   69.561  599.135   86.903   21.945   1.6329   24.491   1.8279 -2.546755 2.451091 
1 1 1   21   39    6 o   16.228   1.8724  269.362   58.451  252.369   76.783  292.780   90.138   15.671   2.5241   16.785   2.7664 -1.114576 3.744837 
1 1 1   21   39    7 o   18.737   1.7331  365.776   62.000  305.536   89.975  420.244   85.554   17.132   2.7054   20.341   2.1668 -3.208231 3.466147 
1 1 1   21   39    8 o   9.9081   2.7198   74.409   74.693   28.576   94.913  148.971  121.059   8.2049   3.4667   11.611   4.1917 -3.406264 5.439520 
1 1 1   21   39    9 o   13.864   2.4573  240.217   78.006  348.868   98.813   60.514  127.079   18.121   2.8091   9.6070   4.0326 8.513722 4.914598 
1 1 1   21   40    0 o   35.120   0.8129  1207.09   55.356  1171.21   76.157  1247.28   80.602   34.572   1.1348   35.668   1.1641 -1.096107 1.625701 
1 1 1   21   40    1 o   25.044   1.1322  623.539   54.425  601.175   82.525  640.752   72.403   24.605   1.7278   25.484   1.4636 -0.8782997 2.264378 
1 1 1   21   40    2 o   19.633   1.3778  392.010   51.534  438.058   69.571  336.023   76.713   21.000   1.7067   18.265   2.1636 2.734221 2.755677 
1 1 1   21   40    3 o   14.729   1.9198  242.610   51.232  303.767   67.428  159.085   78.800   17.401   1.9961   12.056   3.2800 5.345844 3.839618 
1 1 1   21   40    4 o   11.575   2.2979  136.186   53.525   96.937   67.703  201.604   87.407   9.6391   3.1468   13.511   3.3494 -3.872131 4.595724 
1 1 1   21   40    5 o   30.045   1.0812  890.963   62.728  856.055   83.885  935.246   94.479   29.405   1.4696   30.685   1.5861 -1.280281 2.162303 
1 1 1   21   40    6 o   29.099   1.1560  844.504   64.567  837.114   98.658  850.040   85.395   28.929   1.7568   29.268   1.5030 -0.3390598 2.312055 
1 1 1   21   40    7 o   20.860   1.8085  448.543   72.760  384.485   98.749  524.628  107.620   19.192   2.6506   22.528   2.4610 -3.335800 3.616924 
1 1 1   21   40    8 o   15.051   2.4970  258.431   76.678  373.241  110.197  150.667  106.763   18.611   3.0503   11.491   3.9542 7.120165 4.994000 
1 1 1   21   41    0 o   34.854   0.9260  1192.14   62.356  1229.17   93.370  1162.33   83.778   35.322   1.3618   34.386   1.2551 0.9352989 1.851940 
1 1 1   21   41    1 o   22.203   1.1936  489.528   51.159  486.610   68.772  493.145   76.550   22.155   1.5991   22.250   1.7723 -0.9508324E-01 2.387110 
1 1 1   21   41    2 o   7.2962   2.0575   19.338   48.754   71.966   64.493 -50.8456   74.477   8.6601   3.0668   5.9322   2.7438 2.727897 4.115060 
1 1 1   21   41    3 o   8.8490   2.2430   62.646   50.918   20.333   66.851  121.110   78.580   7.0849   2.9455   10.613   3.3836 -3.528302 4.486074 
1 1 1   21   41    4 f   19.876   1.5405  409.944   57.723  457.034   76.351  347.117   88.190   21.362   1.8413   18.390   2.4704 2.971313 3.081074 
1 1 1   21   41    5 o   21.227   1.6095  454.222   65.903  518.979  100.051  404.593   87.588   22.542   2.2864   19.913   2.2660 2.629854 3.219059 
1 1 1   21   41    6 o   25.089   1.6240  635.628   78.474  556.408  103.763  741.487  119.947   23.292   2.2950   26.886   2.2983 -3.594078 3.247912 
1 1 1   21   41    7 o   15.782   2.5454  286.420   74.803  286.094   95.487  286.937  120.351   16.036   3.1798   15.528   3.9757 0.5079441 5.090889 
1 1 1   21   41    8 o   19.895   2.2865  444.085   83.888  485.791  111.414  389.492  127.471   21.451   2.6756   18.338   3.7085 3.113970 4.572902 
1 1 1   21   42    0 o   35.908   0.8300  1267.39   57.741  1281.24   79.465  1251.90   84.044   36.131   1.1330   35.685   1.2133 0.4451447 1.660036 
1 1 1   21   42    1 o   28.522   0.9653  809.063   52.760  849.321   70.371  757.385   79.729   29.382   1.2338   27.662   1.4848 1.719101 1.930516 
1 1 1   21   42    2 f   30.165   0.9686  899.761   55.958  906.514   73.578  890.495   86.183   30.343   1.2492   29.987   1.4806 0.3556862 1.937148 
1 1 1   21   42    3 o   10.976   2.2854  132.122   52.675  156.245   73.505  106.657   75.522   11.916   3.1353   10.035   3.3259 1.881020 4.570773 
1 1 1   21   42    4 o   45.223   0.9185  2016.63   80.276  2045.21  119.613  1993.20  108.286   45.481   1.3548   44.965   1.2406 0.5152588 1.837020 
1 1 1   21   42    5 o   30.203   1.4185  934.196   82.122  1022.80  111.682  829.892  121.174   31.901   1.8035   28.504   2.1899 3.396320 2.836990 
1 1 1   21   42    6 o   33.863   1.2871  1144.31   83.965  1061.79  110.782  1255.70  128.714   32.488   1.7567   35.238   1.8817 -2.750813 2.574203 
1 1 1   21   42    7 o   7.9593   2.4800   2.6408   74.414  -0.9419  101.665   6.7753  109.214   7.7726   3.4332   8.1459   3.5798 -0.3733149 4.959996 
1 1 1   21   43    0 o   25.328   1.0704  631.557   52.341  596.076   69.765  677.244   79.165   24.537   1.4647   26.119   1.5614 -1.582277 2.140867 
1 1 1   21   43    1 o   19.001   1.5375  353.003   54.586  320.038   67.330  416.219   93.240   17.837   1.9446   20.165   2.3820 -2.327869 3.074982 
1 1 1   21   43    2 o   14.965   1.9674  235.978   55.780  275.004   82.043  202.431   76.066   16.293   2.5940   13.636   2.9587 2.656906 3.934770 
1 1 1   21   43    3 o   46.037   0.9813  2099.55   87.658  2048.62  124.676  2149.34  123.271   45.468   1.4126   46.606   1.3626 -1.137524 1.962642 
1 1 1   21   43    4 o   14.721   2.3955  254.476   73.198  372.159   99.862  117.832  107.606   18.810   2.7349   10.631   3.9336 8.178740 4.790954 
1 1 1   21   43    5 o   29.841   1.3839  908.406   79.485  946.467  107.270  862.064  118.365   30.637   1.8037   29.046   2.0993 1.590252 2.767739 
1 1 1   21   44    0 o   37.255   0.9724  1370.51   70.153  1339.35   95.499  1407.04  103.394   36.815   1.3363   37.695   1.4130 -0.8792496 1.944821 
1 1 1   21   44    1 o   58.367   0.9680  3368.34  109.563  3304.59  150.952  3439.31  159.275   57.803   1.3453   58.931   1.3923 -1.127396 1.936076 
1 1 1   21   44    2 o   18.911   1.7061  364.684   62.224  318.347   83.070  423.920   93.923   17.547   2.4389   20.275   2.3865 -2.727945 3.412222 
1 1 1   21   44    3 o   8.6012   2.4076   38.933   64.446 -31.0858   89.179  115.471   93.238   6.8240   3.0981   10.378   3.6861 -3.554296 4.815191 
1 1 1   21   44    4 o   13.716   2.6344  220.261   71.662  214.860   96.262  226.975  107.331   13.599   3.5927   13.833   3.8538 -0.2335234 5.268714 
1 1 1   21   45    0 o   14.762   2.0568  237.937   56.811  218.730   80.554  256.944   80.132   14.085   3.0356   15.438   2.7760 -1.353014 4.113525 
1 1 1   21   45    1 o   20.595   1.6199  442.441   63.748  490.559   86.564  385.426   94.228   21.962   2.0305   19.229   2.5245 2.733376 3.239719 
1 1 1   21   45    2 o   6.8607   2.1876 -29.6316   61.921 -59.7560   84.024   6.1724   91.603   6.1437   2.8663   7.5777   3.3055 -1.433948 4.375123 
1 1 1   21   45    3 o   31.119   1.2052  977.071   72.494  906.896  104.648  1041.82  100.520   29.980   1.7982   32.258   1.6053 -2.277752 2.410471 
1 1 1   21   46    0 o   7.5150   3.1415   26.995   76.638   26.995   76.638   0.0000   0.0000   7.5150   3.1415  ?   ?       ?      ? 
1 1 1   21   46    1 o   44.264   0.9562  1944.67   82.127  1879.78  116.042  2009.78  116.249   43.509   1.3740   45.020   1.3302 -1.511173 1.912387 
1 1 1   22    0    0 o   37.902   1.1284  1401.02   82.602  1340.03  113.747  1469.08  120.150   37.027   1.5892   38.776   1.6024 -0.000000 0.000000 
1 1 1   22    0    1 o  105.502   1.3554 10836.58  277.348 10649.77  389.287 11029.14  395.240  104.578   1.9191  106.427   1.9145 -0.000000 0.000000 
1 1 1   22    0    2 o   30.935   1.3191  929.339   78.044  833.596  103.598  1054.98  118.674   29.100   1.8512   32.771   1.8797 -0.000000 0.000000 
1 1 1   22    0    3 o   83.175   1.1680  6718.25  188.133  6440.07  257.526  7036.62  275.504   81.334   1.6326   85.016   1.6709 -0.000000 0.000000 
1 1 1   22    0    4 o  111.466   1.4315 12107.20  309.473 12011.94  433.987 12205.75  441.430  111.022   2.0152  111.910   2.0335 -0.000000 0.000000 
1 1 1   22    0    5 o   53.047   1.0016  2742.45  102.929  2838.37  145.740  2647.00  145.387   53.978   1.3930   52.116   1.4396 -0.000000 0.000000 
1 1 1   22    0    6 o   23.966   1.7080  583.451   75.484  610.043   98.566  545.734  117.385   24.759   2.0848   23.173   2.7060 -0.000000 0.000000 
1 1 1   22    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0    9 o   12.908   3.2423  204.391   70.826  176.309   86.473  261.625  123.450   11.615   4.1864   14.202   4.9521 -0.000000 0.000000 
1 1 1   22    0   10 o   17.630   2.7657  351.829   80.636  365.008  104.343  332.288  127.053   18.502   3.1897   16.758   4.5190 -0.000000 0.000000 
1 1 1   22    0   11 o   14.735   3.0283  287.147   74.118  323.716   89.884  209.456  131.013   17.480   2.8852   11.989   5.3252 -0.000000 0.000000 
1 1 1   22    0   12 o   14.304   3.0363  281.940   69.779  308.919   80.286  198.629  141.086   17.173   2.5803   11.434   5.4971 -0.000000 0.000000 
1 1 1   22    0   13 o   14.917   3.2584  256.942   78.656  211.422   94.784  357.622  140.964   12.816   4.2751   17.018   4.9185 -0.000000 0.000000 
1 1 1   22    0   14 o   22.080   2.0937  471.967   81.402  373.921   99.739  667.552  140.870   18.754   2.9603   25.406   2.9615 -0.000000 0.000000 
1 1 1   22    0   15 f   43.521   1.2474  1886.42  101.372  1944.18  128.958  1793.02  164.002   44.502   1.4966   42.539   1.9961 -0.000000 0.000000 
1 1 1   22    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   17 o   4.7218   2.3132 -66.3184   70.456 -29.0688   82.842 -163.7063  133.950   4.6896   3.1598   4.7539   3.3793 -0.000000 0.000000 
1 1 1   22    0   18 o   9.3834   3.4335  132.085   74.262  114.363   87.582  177.420  140.081   8.5023   4.2885   10.265   5.3631 -0.000000 0.000000 
1 1 1   22    1    0 o   23.863   1.0615  554.200   49.035  554.594   66.930  553.744   72.045   23.874   1.4442   23.851   1.5561 0.2308846E-01 2.122991 
1 1 1   22    1    1 o   50.910   0.7074  2516.48   69.880  2616.05  100.490  2423.25   97.241   51.884   0.9977   49.936   1.0032 1.948895 1.414866 
1 1 1   22    1    2 o   80.380   0.8018  6278.64  125.069  6162.98  174.530  6400.73  179.315   79.620   1.1292   81.140   1.1385 -1.520157 1.603517 
1 1 1   22    1    3 o  123.409   1.1009 14830.70  263.735 14772.86  371.603 14889.40  374.368  123.168   1.5542  123.651   1.5597 -0.4834366 2.201876 
1 1 1   22    1    4 o   41.426   0.7694  1668.32   61.862  1622.45   86.917  1715.41   88.066   40.848   1.0961   42.003   1.0801 -1.154984 1.538875 
1 1 1   22    1    5 o   31.694   1.0031  960.806   60.269  1058.06   98.134  901.909   76.368   32.949   1.5343   30.439   1.2925 2.510229 2.006112 
1 1 1   22    1    6 o   22.698   1.1619  498.983   50.870  471.389   67.554  535.123   77.310   21.983   1.5831   23.413   1.7011 -1.429909 2.323745 
1 1 1   22    1    7 o   45.249   0.7585  1992.06   66.590  2080.36   94.834  1906.20   93.524   46.240   1.0565   44.259   1.0886 1.981159 1.516991 
1 1 1   22    1    8 o   43.354   0.7687  1829.71   64.687  1825.44   92.105  1833.86   90.869   43.303   1.0957   43.405   1.0785 -0.1017990 1.537448 
1 1 1   22    1    9 o   45.896   0.7601  2048.64   67.675  1959.36   93.815  2145.50   97.717   44.855   1.0774   46.938   1.0725 -2.082962 1.520217 
1 1 1   22    1   10 o   86.000   0.8529  7207.13  142.332  7013.67  198.020  7413.91  204.723   84.808   1.2028   87.192   1.2096 -2.383972 1.705825 
1 1 1   22    1   11 o   67.265   0.7736  4410.76  100.994  4321.63  141.978  4502.06  143.692   66.576   1.0986   67.954   1.0893 -1.378128 1.547106 
1 1 1   22    1   12 f   40.175   0.8361  1575.35   65.155  1535.27   90.109  1619.26   94.321   39.642   1.1710   40.707   1.1936 -1.064644 1.672115 
1 1 1   22    1   13 o   40.288   0.8213  1587.10   63.834  1583.58   85.628  1591.50   95.772   40.255   1.0958   40.322   1.2236 -0.6672287E-01 1.642544 
1 1 1   22    1   14 o   18.843   1.5142  354.886   55.296  363.350   76.655  345.703   79.841   19.095   2.0680   18.591   2.2124 0.5043983 3.028445 
1 1 1   22    1   15 o   32.473   0.9654  1036.04   60.817  999.947   84.261  1075.29   87.869   31.884   1.3614   33.061   1.3692 -1.176838 1.930806 
1 1 1   22    1   16 o   8.4611   2.2103   56.897   52.335  102.367   68.358  -7.5069   81.354   9.8704   3.1568   7.0517   3.0945 2.818704 4.420551 
1 1 1   22    1   17 f   9.0817   2.3935   75.062   57.147   93.957   79.128   54.460   82.622   9.6398   3.3988   8.5235   3.3709 1.116295 4.786912 
1 1 1   22    1   18 o   12.925   2.3674  191.656   61.190  143.306   88.480  235.976   84.713   11.255   3.5907   14.595   3.0865 -3.340635 4.734880 
1 1 1   22    2    0 o   56.997   0.6941  3156.70   76.788  3149.65  107.840  3163.94  109.366   56.933   0.9758   57.061   0.9874 -0.1282349 1.388170 
1 1 1   22    2    1 o   75.316   0.7669  5513.97  112.097  5652.43  158.845  5376.61  158.214   76.259   1.0730   74.372   1.0959 1.886200 1.533758 
1 1 1   22    2    2 o   21.754   1.2371  462.351   52.094  438.842   75.265  483.970   72.176   21.218   1.8274   22.290   1.6681 -1.072266 2.474229 
1 1 1   22    2    3 o   57.407   0.7206  3202.57   80.293  3252.46  114.545  3154.38  112.584   57.846   1.0201   56.968   1.0181 0.8787231 1.441195 
1 1 1   22    2    4 o   32.442   0.8700  1025.17   54.676  1001.56   79.368  1046.50   75.430   32.084   1.2744   32.801   1.1847 -0.7174339 1.739962 
1 1 1   22    2    5 o   39.052   0.7821  1482.19   59.246  1513.82   85.751  1453.29   81.952   39.449   1.1198   38.655   1.0922 0.7946625 1.564211 
1 1 1   22    2    6 o   41.139   0.7585  1646.09   60.563  1678.21   86.362  1615.01   84.953   41.534   1.0712   40.744   1.0741 0.7898026 1.516937 
1 1 1   22    2    7 o   88.130   0.8548  7562.87  146.227  7575.24  206.054  7550.32  207.548   88.203   1.2035   88.056   1.2142 0.1477127 1.709565 
1 1 1   22    2    8 o   75.313   0.7815  5523.11  114.236  5590.71  160.667  5454.00  162.458   75.782   1.0922   74.844   1.1182 0.9376907 1.563075 
1 1 1   22    2    9 o   45.834   0.7746  2046.00   68.913  2038.85   96.588  2053.41   98.351   45.754   1.0875   45.915   1.1035 -0.1606522 1.549288 
1 1 1   22    2   10 o   27.230   1.0238  722.282   53.780  704.999   71.777  744.403   81.205   26.868   1.3762   27.591   1.5162 -0.7225418 2.047619 
1 1 1   22    2   11 o   8.2497   2.3022   41.572   54.273   41.094   73.974   42.129   79.870   8.1283   3.1975   8.3711   3.3131 -0.2428160 4.604402 
1 1 1   22    2   12 o   14.576   2.0048  219.226   55.418  187.365   78.925  250.211   77.831   13.339   3.1061   15.814   2.5354 -2.475359 4.009522 
1 1 1   22    2   13 o   26.791   1.0571  702.062   54.595  734.364   82.923  677.346   72.535   27.316   1.5638   26.265   1.4227 1.050526 2.114139 
1 1 1   22    2   14 o   41.558   0.8296  1693.45   66.802  1633.61   96.372  1748.80   92.681   40.838   1.2157   42.279   1.1293 -1.441719 1.659268 
1 1 1   22    2   15 o   48.966   0.7945  2347.82   75.465  2365.76  108.961  2331.28  104.618   49.138   1.1423   48.793   1.1045 0.3445168 1.588991 
1 1 1   22    2   16 f   37.473   0.8840  1384.98   63.785  1347.82   95.769  1414.61   85.513   36.986   1.3339   37.960   1.1605 -0.9742508 1.768035 
1 1 1   22    2   17 o   20.279   1.4743  415.738   57.949  420.089   84.441  411.865   79.670   20.358   2.1367   20.199   2.0319 0.1592426 2.948555 
1 1 1   22    2   18 o   13.404   2.2002  204.291   59.658  281.536   82.066  117.720   86.878   16.413   2.5758   10.395   3.5676 6.017662 4.400329 
1 1 1   22    3    0 o   44.348   0.7133  1905.02   61.303  1802.53   83.778  2023.16   89.941   43.069   1.0021   45.628   1.0155 -2.559059 1.426654 
1 1 1   22    3    1 o  105.355   0.9368 10797.36  191.578 10863.87  270.039 10729.96  271.836  105.683   1.3163  105.026   1.3333 0.6563034 1.873625 
1 1 1   22    3    2 o   60.734   0.7199  3585.41   84.866  3632.04  119.605  3538.13  120.436   61.132   1.0079   60.335   1.0283 0.7971535 1.439875 
1 1 1   22    3    3 o   99.051   0.9218  9544.26  177.228  9631.15  252.072  9459.33  249.229   99.497   1.3051   98.606   1.3021 0.8909836 1.843557 
1 1 1   22    3    4 o   52.260   0.7270  2655.15   73.742  2702.51  104.441  2608.07  104.134   52.725   1.0204   51.794   1.0357 0.9306831 1.453973 
1 1 1   22    3    5 o   44.259   0.7553  1905.10   64.893  1901.28   91.405  1908.98   92.146   44.215   1.0650   44.304   1.0714 -0.8900452E-01 1.510682 
1 1 1   22    3    6 o   34.545   0.8435  1161.33   56.487  1244.54   80.719  1081.47   79.075   35.759   1.1628   33.330   1.2222 2.429832 1.686999 
1 1 1   22    3    7 o   32.606   0.8673  1039.76   54.648  1129.62   76.311  945.165   78.295   34.065   1.1540   31.148   1.2949 2.917055 1.734533 
1 1 1   22    3    8 o   13.426   2.0632  180.473   53.947  117.546   73.426  254.286   79.525   10.798   3.2427   16.054   2.5518 -5.256651 4.126330 
1 1 1   22    3    9 o   37.031   0.8426  1338.50   60.458  1378.58   83.840  1295.08   87.264   37.615   1.1482   36.447   1.2334 1.167679 1.685141 
1 1 1   22    3   10 o   35.576   0.8926  1239.10   61.407  1300.48   84.630  1170.87   89.236   36.519   1.1938   34.633   1.3274 1.886650 1.785253 
1 1 1   22    3   11 o   13.074   2.0194  180.035   50.849  222.206   68.690  128.908   75.633   14.971   2.3637   11.178   3.2749 3.792954 4.038780 
1 1 1   22    3   12 o   45.101   0.7545  1983.48   66.027  1914.47   91.903  2057.10   94.923   44.291   1.0689   45.912   1.0651 -1.621048 1.508984 
1 1 1   22    3   13 o   23.239   1.2403  535.033   55.760  579.062   78.303  489.738   79.421   24.232   1.6646   22.246   1.8391 1.985895 2.480611 
1 1 1   22    3   14 o   26.218   1.1818  681.075   59.844  605.223   84.757  756.484   84.508   24.731   1.7655   27.705   1.5714 -2.973444 2.363522 
1 1 1   22    3   15 o   52.880   0.7828  2738.37   80.339  2800.74  113.915  2676.65  113.321   53.483   1.0972   52.277   1.1167 1.206394 1.565554 
1 1 1   22    3   16 o   32.165   0.9963  1020.26   62.173  974.254   86.583  1069.22   89.333   31.413   1.4199   32.917   1.3980 -1.504017 1.992643 
1 1 1   22    3   17 o   9.3556   2.3978   84.482   56.375   69.680   79.214   99.675   80.249   8.8688   3.3556   9.8425   3.4259 -0.9736338 4.795521 
1 1 1   22    3   18 o   14.062   2.2082  221.356   58.791  196.426   84.595  244.645   81.763   13.171   3.3121   14.954   2.9214 -1.783491 4.416392 
1 1 1   22    4    0 o   26.116   0.9828  663.230   49.763  619.857   69.569  708.674   71.210   25.240   1.4199   26.991   1.3591 -1.750559 1.965525 
1 1 1   22    4    1 o   35.450   0.8545  1225.05   58.646  1309.32   82.185  1137.62   83.711   36.698   1.1537   34.202   1.2609 2.496231 1.709033 
1 1 1   22    4    2 o   61.658   0.7217  3695.05   86.382  3717.20  122.012  3672.78  122.314   61.844   1.0163   61.472   1.0250 0.3713417 1.443469 
1 1 1   22    4    3 f   63.364   0.7200  3900.00   88.526  3768.99  123.500  4038.46  126.962   62.270   1.0217   64.458   1.0147 -2.188274 1.439958 
1 1 1   22    4    4 f   57.656   0.7174  3231.88   80.281  3255.16  113.118  3208.27  113.956   57.866   1.0070   57.446   1.0219 0.4196396 1.434711 
1 1 1   22    4    5 o   10.351   2.2885  105.215   51.051  103.798   71.446  106.692   72.972   10.284   3.2199   10.417   3.2529 -0.1329927 4.576982 
1 1 1   22    4    6 o   15.529   1.8697  244.890   52.561  126.500   71.066  387.862   78.096   11.152   3.1462   19.907   2.0209 -8.755525 3.739325 
1 1 1   22    4    7 o   47.934   0.7471  2237.14   69.433  2270.29   96.319  2201.27  100.181   48.307   1.0272   47.560   1.0851 0.7464104 1.494167 
1 1 1   22    4    8 o   16.396   1.6393  264.188   52.144  253.742   72.291  275.517   75.285   16.059   2.3190   16.734   2.3177 -0.6750126 3.278627 
1 1 1   22    4    9 f   10.944   2.2849  118.980   52.228   92.943   70.146  151.372   78.238   9.7951   3.2034   12.093   3.2591 -2.298193 4.569814 
1 1 1   22    4   10 o   31.049   0.9627  939.287   57.952  898.532   79.573  985.320   84.569   30.335   1.3513   31.763   1.3716 -1.428375 1.925429 
1 1 1   22    4   11 o   56.688   0.7399  3132.27   81.423  3154.38  115.535  3110.46  114.769   56.887   1.0462   56.490   1.0466 0.3975334 1.479882 
1 1 1   22    4   12 o   43.055   0.8114  1811.28   67.748  1822.48   93.961  1799.15   97.771   43.200   1.1205   42.910   1.1738 0.2902298 1.622709 
1 1 1   22    4   13 o   11.860   2.2103  147.350   51.204  133.087   67.450  166.751   78.663   11.219   3.0272   12.502   3.2214 -1.282895 4.420547 
1 1 1   22    4   14 o   23.990   1.1693  571.058   53.843  589.956   71.756  546.706   81.454   24.480   1.5100   23.499   1.7856 0.9803600 2.338508 
1 1 1   22    4   15 o   10.258   2.2457  110.918   52.416  152.443   69.458   55.988   79.886   11.919   3.0033   8.5973   3.3397 3.321804 4.491477 
1 1 1   22    4   16 o   35.320   0.9338  1232.49   63.812  1289.13   88.151  1170.14   92.494   36.201   1.2544   34.440   1.3835 1.760769 1.867547 
1 1 1   22    4   17 o   28.473   1.1489  807.390   63.480  830.505   89.796  784.297   89.753   28.891   1.6011   28.055   1.6480 0.8356571 2.297751 
1 1 1   22    4   18 o   17.721   2.1998  355.730   70.550  286.928  110.850  402.576   91.467   15.727   3.6939   19.716   2.3899 -3.989074 4.399652 
1 1 1   22    5    0 o   65.129   0.7244  4121.80   91.569  4089.51  128.260  4155.37  130.772   64.870   1.0186   65.389   1.0303 -0.5193176 1.448751 
1 1 1   22    5    1 f   44.381   0.7278  1914.75   62.683  1935.10   87.791  1893.58   89.527   44.622   1.0135   44.139   1.0449 0.4831238 1.455683 
1 1 1   22    5    2 o   51.275   0.7062  2547.82   70.156  2671.04  103.194  2441.92   95.665   52.424   1.0141   50.127   0.9831 2.296703 1.412407 
1 1 1   22    5    3 o   39.699   0.9230  1498.88   67.789  1425.20   83.083  1645.61  117.246   38.285   1.1179   41.113   1.4691 -2.827454 1.846098 
1 1 1   22    5    4 o   62.656   0.7188  3816.73   87.418  3792.79  123.747  3840.56  123.508   62.460   1.0206   62.853   1.0123 -0.3929443 1.437502 
1 1 1   22    5    5 o  113.377   1.0252 12524.39  225.627 12513.12  318.859 12535.69  319.312  113.326   1.4495  113.428   1.4502 -0.1019363 2.050374 
1 1 1   22    5    6 o   74.905   0.7804  5459.31  113.474  5528.08  160.889  5391.24  160.066   75.375   1.0996   74.435   1.1078 0.9401321 1.560874 
1 1 1   22    5    7 f   27.306   1.0787  734.748   56.605  813.093   77.805  646.649   82.506   28.880   1.3878   25.732   1.6518 3.148457 2.157418 
1 1 1   22    5    8 o   31.792   0.9177  985.534   56.534  989.826   77.757  980.721   82.343   31.869   1.2569   31.714   1.3376 0.1554642 1.835436 
1 1 1   22    5    9 o   41.677   0.8040  1692.23   64.944  1688.91   89.381  1695.95   94.525   41.638   1.1058   41.716   1.1673 -0.7795715E-01 1.607921 
1 1 1   22    5   10 o   36.934   0.7906  1324.80   56.451  1280.64   75.947  1379.32   84.385   36.254   1.0792   37.614   1.1557 -1.360172 1.581239 
1 1 1   22    5   11 o   21.920   1.2994  469.625   55.027  443.829   73.606  502.309   82.852   21.250   1.7844   22.590   1.8894 -1.339615 2.598800 
1 1 1   22    5   12 o   23.669   1.2301  553.900   56.087  636.302   79.754  473.268   78.893   25.441   1.6149   21.896   1.8561 3.544674 2.460300 
1 1 1   22    5   13 o   20.568   1.3054  420.140   51.668  408.559   77.741  429.302   69.151   20.284   1.9744   20.852   1.7084 -0.5677299 2.610887 
1 1 1   22    5   14 o   47.569   0.7873  2213.37   72.691  2216.25  103.413  2210.56  102.199   47.597   1.1192   47.540   1.1074 0.5726242E-01 1.574528 
1 1 1   22    5   15 o   11.273   2.3399  135.971   54.286  144.382   81.683  129.318   72.651   11.560   3.4081   10.986   3.2071 0.5737753 4.679773 
1 1 1   22    5   16 o   32.613   0.9546  1051.40   60.228  959.990   85.623  1140.92   84.733   31.181   1.4146   34.044   1.2822 -2.863226 1.909203 
1 1 1   22    5   17 o   35.336   0.9544  1249.77   64.568  1067.80   94.208  1410.97   88.669   32.815   1.4789   37.856   1.2066 -5.040619 1.908704 
1 1 1   22    5   18 o   12.600   2.5430  184.137   65.130  176.616   98.590  189.962   86.755   12.310   3.7707   12.891   3.4132 -0.5808372 5.086067 
1 1 1   22    6    0 o   37.137   0.7818  1340.72   56.351  1317.23   79.708  1364.20   79.677   36.811   1.1155   37.463   1.0956 -0.6514702 1.563558 
1 1 1   22    6    1 o   38.058   0.7701  1403.13   56.778  1484.39   83.576  1333.49   77.375   39.077   1.1018   37.039   1.0762 2.038082 1.540158 
1 1 1   22    6    2 o   50.864   0.7120  2509.77   70.190  2437.11   96.043  2593.07  102.830   50.077   0.9880   51.651   1.0256 -1.574867 1.424084 
1 1 1   22    6    3 o   17.123   1.5500  286.156   51.475  277.494   70.991  295.758   74.746   16.851   2.1703   17.394   2.2137 -0.5433350 3.100073 
1 1 1   22    6    4 o   56.723   0.7204  3127.03   79.286  3091.36  110.310  3165.15  114.039   56.389   1.0078   57.056   1.0296 -0.6669655 1.440732 
1 1 1   22    6    5 o   71.241   0.7712  4937.47  106.630  5067.52  151.052  4808.28  150.544   72.178   1.0781   70.304   1.1031 1.874046 1.542444 
1 1 1   22    6    6 o   50.909   0.7363  2519.67   72.736  2464.19  101.191  2578.99  104.624   50.331   1.0357   51.488   1.0468 -1.157810 1.472573 
1 1 1   22    6    7 o   63.013   0.7345  3862.24   89.804  3821.26  124.974  3905.99  129.134   62.669   1.0273   63.357   1.0500 -0.6875420 1.468944 
1 1 1   22    6    8 o   39.001   0.8420  1478.02   63.511  1439.44   85.749  1524.90   94.527   38.444   1.1491   39.558   1.2310 -1.114693 1.683944 
1 1 1   22    6    9 o   24.708   1.1145  597.004   53.379  597.616   73.617  596.326   77.512   24.726   1.5338   24.689   1.6173 0.3647041E-01 2.228946 
1 1 1   22    6   10 o   41.255   0.8250  1667.21   65.739  1766.15   90.391  1556.11   95.782   42.571   1.0938   39.938   1.2355 2.633690 1.650099 
1 1 1   22    6   11 o   23.484   1.1507  537.787   52.084  515.443   69.058  567.264   79.319   22.933   1.5513   24.035   1.7001 -1.101864 2.301444 
1 1 1   22    6   12 o   25.746   1.0274  649.656   51.151  575.507   71.088  729.262   73.658   24.212   1.5125   27.279   1.3910 -3.066923 2.054883 
1 1 1   22    6   13 o   38.297   0.8382  1429.32   62.175  1330.56   84.743  1544.46   91.504   36.870   1.1840   39.723   1.1867 -2.852562 1.676347 
1 1 1   22    6   14 o   20.288   1.4716  416.560   57.017  478.123   78.460  347.667   82.999   21.960   1.8406   18.617   2.2967 3.342934 2.943213 
1 1 1   22    6   15 o   7.4269   2.2143   14.391   54.925   29.998   76.293  -2.4023   79.138   7.7560   3.1777   7.0977   3.0845 0.6583595 4.428572 
1 1 1   22    6   16 o   14.529   2.0295  221.783   55.929  159.413   75.994  295.488   82.612   12.070   3.1939   16.989   2.5050 -4.919486 4.059048 
1 1 1   22    6   17 o   30.983   1.0530  954.666   63.099  984.955   86.524  920.259   92.219   31.543   1.4131   30.423   1.5615 1.119265 2.105986 
1 1 1   22    6   18 f   9.1458   2.6222   38.523   82.991  132.257  105.460 -113.9402  134.500   10.947   3.9169   7.3444   3.4873 3.602695 5.244330 
1 1 1   22    7    0 o   51.010   0.6992  2527.49   69.218  2599.11   99.005  2459.01   96.809   51.716   0.9862   50.303   0.9914 1.413498 1.398386 
1 1 1   22    7    1 o   44.055   0.7391  1885.16   63.150  1857.69   87.221  1915.42   91.552   43.719   1.0277   44.391   1.0625 -0.6720428 1.478191 
1 1 1   22    7    2 o  111.971   0.9758 12199.77  211.956 12181.69  294.386 12219.23  305.421  111.890   1.3554  112.052   1.4042 -0.1619797 1.951592 
1 1 1   22    7    3 o   35.234   0.8057  1207.96   54.920  1216.26   74.796  1198.26   80.900   35.368   1.0894   35.099   1.1874 0.2685738 1.611430 
1 1 1   22    7    4 o   49.027   0.7173  2338.60   68.156  2368.61   94.116  2305.50   98.831   49.360   0.9822   48.693   1.0456 0.6673393 1.434598 
1 1 1   22    7    5 o  129.699   1.1561 16410.85  291.056 16577.40  412.522 16245.76  410.713  130.356   1.6302  129.042   1.6396 1.314316 2.312152 
1 1 1   22    7    6 o   27.320   1.0580  731.022   55.259  746.875   72.568  709.144   85.251   27.686   1.3503   26.954   1.6293 0.7321167 2.116095 
1 1 1   22    7    7 o   40.412   0.8036  1594.88   62.808  1663.75   86.400  1517.70   91.463   41.346   1.0765   39.477   1.1935 1.868797 1.607282 
1 1 1   22    7    8 o   39.089   0.8313  1487.39   62.904  1473.71   85.629  1503.42   92.712   38.899   1.1340   39.279   1.2159 -0.3800201 1.662675 
1 1 1   22    7    9 o   23.297   1.2100  529.960   54.149  520.882   71.313  542.320   83.213   23.076   1.5920   23.518   1.8227 -0.4418373 2.420071 
1 1 1   22    7   10 o   63.154   0.7449  3882.15   91.164  3825.83  124.891  3946.39  133.378   62.670   1.0266   63.638   1.0797 -0.9675941 1.489864 
1 1 1   22    7   11 o   13.173   2.0248  179.764   50.317  202.600   73.144  159.248   69.327   13.994   2.7905   12.352   2.9347 1.641785 4.049654 
1 1 1   22    7   12 o   17.916   1.5305  318.339   53.151  307.590   72.825  330.591   77.749   17.600   2.1316   18.233   2.1967 -0.6333942 3.060935 
1 1 1   22    7   13 o   52.414   0.7382  2677.58   74.854  2608.62  101.257  2760.68  111.153   51.683   1.0093   53.145   1.0775 -1.462074 1.476339 
1 1 1   22    7   14 o   46.436   0.7679  2111.13   68.949  2137.05   93.819  2080.69  101.670   46.763   1.0335   46.110   1.1359 0.6533813 1.535715 
1 1 1   22    7   15 o   18.653   1.5546  350.557   56.222  358.184   78.167  342.383   80.924   18.884   2.1324   18.423   2.2628 0.4603100 3.109236 
1 1 1   22    7   16 o   34.882   0.9591  1200.18   64.907  1148.21   91.348  1253.18   92.245   34.109   1.3796   35.654   1.3328 -1.544605 1.918256 
1 1 1   22    7   17 o   12.272   2.4242  169.031   59.967  169.508   83.904  168.533   85.737   12.297   3.4007   12.247   3.4558 0.4975224E-01 4.848478 
1 1 1   22    7   18 o   9.2528   2.7156   58.923   79.485   77.034   99.729   27.384  131.603   9.3883   3.7064   9.1174   3.9700 0.2709265 5.431225 
1 1 1   22    8    0 o   63.685   0.7093  3941.98   87.684  3980.10  123.546  3903.29  124.467   63.996   0.9945   63.374   1.0118 0.6219292 1.418698 
1 1 1   22    8    1 o  104.239   0.9445 10567.11  191.049 10436.83  265.852 10706.24  274.736  103.577   1.3222  104.901   1.3492 -1.323341 1.889073 
1 1 1   22    8    2 o   66.878   0.7217  4347.46   93.688  4356.13  132.914  4338.90  132.080   66.944   1.0228   66.812   1.0184 0.1320724 1.443348 
1 1 1   22    8    3 o   78.212   0.7819  5948.38  118.689  5950.11  166.281  5946.59  169.467   78.225   1.0950   78.199   1.1164 0.2594757E-01 1.563802 
1 1 1   22    8    4 o   47.012   0.7192  2149.29   65.600  2159.60   91.506  2138.39   94.095   47.129   1.0002   46.895   1.0337 0.2348175 1.438358 
1 1 1   22    8    5 o  116.134   1.0486 13146.02  236.365 13057.05  331.344 13238.20  337.275  115.737   1.4748  116.531   1.4910 -0.7946014 2.097187 
1 1 1   22    8    6 o   86.275   0.8440  7247.98  141.314  7333.25  198.642  7160.60  201.075   86.792   1.1790   85.758   1.2079 1.034111 1.687916 
1 1 1   22    8    7 o   13.576   2.0815  194.910   53.930  238.169   71.103  136.313   82.753   15.562   2.3538   11.591   3.4338 3.970192 4.163089 
1 1 1   22    8    8 o   73.475   0.7796  5259.20  111.131  5321.59  155.119  5193.41  159.289   73.927   1.0809   73.022   1.1237 0.9052429 1.559233 
1 1 1   22    8    9 f   23.329   1.2296  530.702   55.515  502.040   75.046  565.342   82.503   22.640   1.7076   24.017   1.7696 -1.376957 2.459141 
1 1 1   22    8   10 o   40.291   0.7782  1581.81   60.845  1563.87   84.789  1600.85   87.364   40.057   1.0904   40.525   1.1106 -0.4677277 1.556413 
1 1 1   22    8   11 o   7.7829   2.2102   32.354   50.847   37.382   67.993   25.973   76.590   7.7754   3.0633   7.7903   3.1869 -0.1493692E-01 4.420458 
1 1 1   22    8   12 f   14.070   1.9617  204.796   52.279  134.149   72.093  283.152   75.924   11.294   3.1627   16.846   2.3218 -5.552154 3.923426 
1 1 1   22    8   13 o   9.3327   2.1885   73.572   49.816  140.681   74.939   20.438   66.681   11.497   3.2263   7.1684   2.9578 4.328517 4.376932 
1 1 1   22    8   14 o   29.010   1.0344  828.240   58.246  839.052   82.505  817.498   82.239   29.201   1.4555   28.819   1.4701 0.3814487 2.068734 
1 1 1   22    8   15 o   20.918   1.3841  432.889   55.132  561.625   82.305  328.109   74.253   23.762   1.7843   18.073   2.1165 5.688608 2.768254 
1 1 1   22    8   16 o   25.017   1.1733  625.076   56.688  585.901   82.669  659.846   77.883   24.238   1.7571   25.797   1.5553 -1.559048 2.346537 
1 1 1   22    8   17 o   11.738   2.1385  151.958   52.326  221.809   73.688   80.911   74.316   14.380   2.7399   9.0957   3.2841 5.284200 4.276971 
1 1 1   22    8   18 o   8.4427   2.6227   12.712   79.917   15.488   99.197   7.5779  134.903   8.0054   3.4662   8.8799   3.9369 -0.8744249 5.245317 
1 1 1   22    9    0 o   48.140   0.6884  2251.57   64.242  2242.59   88.473  2261.60   93.432   48.040   0.9487   48.240   0.9978 -0.2001839 1.376806 
1 1 1   22    9    1 o   57.610   0.7093  3225.94   79.318  3239.55  111.423  3211.95  112.938   57.734   0.9942   57.487   1.0121 0.2478600 1.418700 
1 1 1   22    9    2 o   92.641   0.8613  8347.39  154.886  8305.90  217.898  8389.76  220.205   92.409   1.2147   92.873   1.2214 -0.4642410 1.722629 
1 1 1   22    9    3 f   32.121   0.9265  1006.16   57.554  1030.36   78.631  978.235   84.471   32.542   1.2448   31.700   1.3727 0.8422108 1.853067 
1 1 1   22    9    4 o   35.810   0.8645  1254.00   59.692  1310.02   81.005  1187.43   88.301   36.696   1.1372   34.924   1.3025 1.771751 1.729077 
1 1 1   22    9    5 o   25.314   1.1466  626.234   56.049  635.185   75.823  615.449   83.225   25.521   1.5305   25.107   1.7076 0.4141884 2.293125 
1 1 1   22    9    6 o   53.053   0.7354  2738.11   75.713  2729.28  105.741  2747.40  108.459   52.966   1.0284   53.139   1.0514 -0.1726608 1.470790 
1 1 1   22    9    7 o   30.666   0.9618  923.424   56.645  969.735   75.988  865.507   84.980   31.549   1.2408   29.783   1.4699 1.766369 1.923576 
1 1 1   22    9    8 f   17.603   1.6133  295.744   53.980  225.060   70.290  397.360   84.278   15.105   2.3972   20.101   2.1598 -4.996120 3.226663 
1 1 1   22    9    9 o   37.615   0.8036  1379.49   58.652  1415.79   82.579  1342.53   83.320   38.118   1.1160   37.113   1.1565 1.004768 1.607207 
1 1 1   22    9   10 o   49.040   0.7615  2338.70   72.271  2280.72   97.954  2407.97  107.065   48.381   1.0430   49.699   1.1098 -1.318485 1.522983 
1 1 1   22    9   11 o   14.129   1.8713  208.536   49.005  233.256   64.562  174.937   75.270   15.343   2.1677   12.915   3.0509 2.427888 3.742585 
1 1 1   22    9   12 o   11.509   2.1608  139.857   48.890  142.606   65.258  136.341   73.812   11.643   2.8987   11.375   3.2054 0.2674809 4.321681 
1 1 1   22    9   13 o   10.511   2.3094  113.343   52.498   90.709   71.992  139.048   76.720   9.5891   3.2480   11.432   3.2838 -1.842999 4.618746 
1 1 1   22    9   14 o   34.173   0.9244  1143.60   61.197  1105.18   83.406  1188.42   90.067   33.561   1.2803   34.785   1.3338 -1.224804 1.848846 
1 1 1   22    9   15 o   38.649   0.8694  1462.43   64.943  1418.92   87.310  1516.32   97.163   38.025   1.1829   39.273   1.2745 -1.248863 1.738828 
1 1 1   22    9   16 o   14.797   2.0599  248.515   57.094  340.824   77.390  138.274   84.573   18.351   2.1725   11.244   3.5004 7.107897 4.119774 
1 1 1   22    9   17 o   25.045   1.2783  628.747   61.979  693.867   89.340  568.328   86.055   26.320   1.7486   23.769   1.8651 2.550306 2.556598 
1 1 1   22    9   18 o   11.562   2.6817  144.729   84.286  255.700  108.678 -22.7687  133.518   14.728   3.7817   8.3953   3.8033 6.333067 5.363442 
1 1 1   22   10    0 o   39.889   0.7578  1546.90   58.608  1647.07   83.467  1449.48   82.314   41.165   1.0445   38.614   1.0982 2.550930 1.515596 
1 1 1   22   10    1 o   73.432   0.7567  5242.02  107.861  5298.19  152.731  5186.13  152.346   73.825   1.0658   73.039   1.0745 0.7858200 1.513406 
1 1 1   22   10    2 o   78.080   0.7713  5928.44  116.894  5986.51  164.493  5869.20  166.144   78.467   1.0799   77.692   1.1016 0.7753601 1.542680 
1 1 1   22   10    3 o   33.378   0.8560  1089.14   55.165  1202.00   77.294  971.977   78.756   35.154   1.1327   31.602   1.2838 3.551632 1.712064 
1 1 1   22   10    4 o   34.551   0.8636  1169.90   57.446  1242.47   78.025  1084.00   84.889   35.736   1.1248   33.365   1.3107 2.370846 1.727111 
1 1 1   22   10    5 o   35.619   0.8670  1233.91   59.487  1224.51   79.233  1246.06   90.057   35.470   1.1507   35.768   1.2971 -0.2975769 1.733936 
1 1 1   22   10    6 o   66.321   0.7576  4283.33   97.369  4339.79  134.339  4220.85  141.330   66.787   1.0362   65.854   1.1056 0.9325562 1.515253 
1 1 1   22   10    7 o   66.842   0.7583  4350.84   98.348  4434.84  138.026  4264.22  140.169   67.501   1.0534   66.183   1.0910 1.317970 1.516572 
1 1 1   22   10    8 o   37.996   0.8448  1409.68   62.144  1451.07   85.634  1363.64   90.322   38.592   1.1431   37.399   1.2442 1.193794 1.689547 
1 1 1   22   10    9 o   32.904   0.8924  1047.74   56.299  1004.85   73.413  1108.98   87.721   32.104   1.1780   33.704   1.3408 -1.600143 1.784761 
1 1 1   22   10   10 o   38.335   0.8392  1436.13   62.261  1467.12   85.351  1400.88   91.022   38.787   1.1336   37.884   1.2377 0.9030647 1.678405 
1 1 1   22   10   11 o   17.254   1.4898  294.657   49.877  305.908   71.512  283.999   69.600   17.576   2.0960   16.931   2.1176 0.6445522 2.979536 
1 1 1   22   10   12 o   5.4064   1.8210 -90.3943   52.663 -70.6721   69.637 -116.7446   80.492   5.4373   2.5598   5.3754   2.5908 0.6191587E-01 3.642094 
1 1 1   22   10   13 o   36.176   0.8650  1275.08   60.576  1183.06   82.082  1385.13   89.766   34.753   1.2167   37.600   1.2299 -2.847271 1.730035 
1 1 1   22   10   14 o   23.956   1.2167  564.894   56.378  528.748   75.926  609.317   84.171   23.114   1.6922   24.797   1.7486 -1.682444 2.433338 
1 1 1   22   10   15 o   12.621   2.2052  176.652   55.278  227.406   75.570  118.245   81.068   14.661   2.7565   10.581   3.4429 4.080236 4.410422 
1 1 1   22   10   16 o   7.0184   2.1502 -11.3167   56.569   38.591   79.186 -63.3337   80.842   8.0145   3.2552   6.0224   2.8103 1.992072 4.300431 
1 1 1   22   10   17 f   14.496   2.0848  237.511   61.025   80.727   85.881  397.415   86.731   9.2910   3.4990   19.701   2.2679 -10.41005 4.169680 
1 1 1   22   10   18 o   19.037   2.3650  418.113   78.024  446.265   95.423  361.323  135.530   20.741   2.3700   17.333   4.0935 3.408667 4.730091 
1 1 1   22   11    0 o   30.741   0.8518  914.651   50.645  1031.67   74.261  812.898   69.248   32.572   1.1745   28.910   1.2339 3.661854 1.703534 
1 1 1   22   11    1 o   28.680   0.9301  800.276   51.779  809.353   73.553  791.359   72.904   28.841   1.3138   28.519   1.3169 0.3225784 1.860181 
1 1 1   22   11    2 o   19.931   1.3179  388.482   50.684  395.974   68.446  379.385   75.417   20.150   1.7499   19.711   1.9710 0.4392109 2.635722 
1 1 1   22   11    3 o   20.668   1.2735  419.944   50.607  443.696   68.281  390.993   75.383   21.330   1.6491   20.005   1.9412 1.325029 2.547068 
1 1 1   22   11    4 o   19.242   1.4258  367.681   52.424  408.618   70.987  318.570   77.752   20.455   1.7878   18.030   2.2215 2.424288 2.851531 
1 1 1   22   11    5 o   30.335   0.9608  896.417   56.393  894.078   76.669  899.174   83.239   30.296   1.3037   30.373   1.4118 -0.7677460E-01 1.921647 
1 1 1   22   11    6 o   34.154   0.8658  1136.60   57.056  1140.60   76.676  1131.64   85.406   34.228   1.1540   34.080   1.2910 0.1479568 1.731614 
1 1 1   22   11    7 o   15.400   1.9558  240.194   56.281  247.988   74.186  229.626   86.387   15.864   2.4090   14.937   3.0817 0.9273882 3.911544 
1 1 1   22   11    8 o   22.024   1.2101  475.798   51.634  501.354   72.295  449.189   73.770   22.636   1.6453   21.412   1.7748 1.224041 2.420129 
1 1 1   22   11    9 o   37.748   0.8619  1386.25   62.979  1345.55   85.422  1434.72   93.220   37.147   1.1846   38.348   1.2523 -1.200695 1.723805 
1 1 1   22   11   10 o   37.926   0.7985  1404.16   58.651  1422.73   80.556  1383.21   85.560   38.200   1.0864   37.652   1.1706 0.5479431 1.597054 
1 1 1   22   11   11 o   13.497   2.0528  192.857   51.839  209.630   68.884  170.952   78.720   14.270   2.5817   12.724   3.1924 1.545981 4.105696 
1 1 1   22   11   12 o   44.956   0.7788  1979.58   67.658  2028.76   92.122  1921.99   99.690   45.580   1.0412   44.332   1.1584 1.247646 1.557563 
1 1 1   22   11   13 o   7.1281   2.1036   6.6005   50.811 -38.0909   73.639   47.215   70.199   6.1737   2.8077   8.0825   3.1332 -1.908764 4.207108 
1 1 1   22   11   14 o   23.497   1.1964  542.519   54.011  660.976   79.930  442.978   73.271   25.866   1.5919   21.127   1.7866 4.738859 2.392888 
1 1 1   22   11   15 o   8.9143   2.2819   70.872   52.649   34.413   76.311  103.993   72.733   7.8451   3.1920   9.9836   3.2617 -2.138492 4.563742 
1 1 1   22   11   16 o   11.897   2.2209  155.190   52.325  176.686   74.502  134.266   73.505   12.718   3.0559   11.077   3.2237 1.640927 4.441883 
1 1 1   22   11   17 o   37.166   0.9762  1364.91   69.533  1392.36  107.651  1345.26   91.080   37.429   1.4817   36.904   1.2714 0.5241547 1.952386 
1 1 1   22   12    0 o   75.369   0.7490  5523.28  109.539  5563.67  153.003  5480.80  156.893   75.654   1.0418   75.084   1.0764 0.5694199 1.498054 
1 1 1   22   12    1 o   74.786   0.7545  5436.15  109.444  5398.75  151.507  5476.95  158.269   74.520   1.0474   75.053   1.0863 -0.5329971 1.509006 
1 1 1   22   12    2 o   16.356   1.6323  256.639   51.215  210.449   67.568  319.008   78.516   14.657   2.3748   18.055   2.2402 -3.397835 3.264694 
1 1 1   22   12    3 o   7.8295   2.1773   23.711   50.211 -13.3141   67.159   70.635   75.606   6.4681   2.8257   9.1908   3.3134 -2.722703 4.354676 
1 1 1   22   12    4 o   16.352   1.6645  258.366   52.383  231.508   68.833  295.328   80.749   15.361   2.3083   17.343   2.3986 -1.981243 3.328900 
1 1 1   22   12    5 o   18.350   1.5319  338.878   53.009  381.993   70.278  281.976   80.737   19.766   1.8316   16.934   2.4561 2.832695 3.063870 
1 1 1   22   12    6 o   23.533   1.1652  545.150   52.815  599.338   72.996  485.618   76.511   24.781   1.5174   22.285   1.7687 2.496529 2.330435 
1 1 1   22   12    7 o   37.163   0.8362  1346.69   60.017  1356.74   81.055  1334.49   89.296   37.324   1.1187   37.002   1.2432 0.3221512 1.672444 
1 1 1   22   12    8 o   18.631   1.4823  336.192   53.195  293.024   70.416  393.577   81.187   17.259   2.1019   20.003   2.0908 -2.744602 2.964697 
1 1 1   22   12    9 o   49.286   0.7343  2366.57   70.210  2479.16   99.761  2256.08   98.829   50.451   1.0187   48.121   1.0580 2.330017 1.468681 
1 1 1   22   12   10 o   26.259   1.0740  676.882   54.333  687.415   72.830  663.664   81.590   26.506   1.4155   26.013   1.6158 0.4934654 2.148091 
1 1 1   22   12   11 o   39.625   0.8030  1521.17   61.399  1425.51   81.629  1645.79   93.173   38.210   1.1005   41.040   1.1695 -2.830437 1.605938 
1 1 1   22   12   12 o   15.084   1.8531  248.083   50.335  318.871   67.510  159.471   75.532   17.929   1.9397   12.239   3.1581 5.690349 3.706261 
1 1 1   22   12   13 o   18.338   1.4789  332.505   52.347  288.010   70.797  386.168   77.749   16.983   2.1476   19.693   2.0338 -2.710693 2.957773 
1 1 1   22   12   14 o   22.262   1.2997  497.957   55.218  526.625   73.127  459.927   84.223   23.072   1.6328   21.453   2.0225 1.618872 2.599328 
1 1 1   22   12   15 o   9.7578   2.3463   97.459   53.308  108.244   70.983   83.508   80.732   10.119   3.2148   9.3967   3.4183 0.7222223 4.692532 
1 1 1   22   12   16 o   18.282   1.6786  341.746   59.561  337.505   83.358  346.169   85.135   18.170   2.3633   18.394   2.3844 -0.2234383 3.357179 
1 1 1   22   12   17 o   22.667   1.9128  538.711   83.264  533.000  109.977  546.382  127.454   22.652   2.5011   22.683   2.8946 -0.3124809E-01 3.825511 
1 1 1   22   13    0 o   43.854   0.7253  1869.52   61.743  1870.27   87.025  1868.77   87.614   43.863   1.0221   43.845   1.0294 0.1815796E-01 1.450622 
1 1 1   22   13    1 o   41.794   0.7228  1698.18   58.639  1702.68   82.942  1693.69   82.914   41.850   1.0210   41.739   1.0234 0.1107101 1.445562 
1 1 1   22   13    2 o   21.975   1.1927  473.906   50.511  502.272   68.803  440.746   74.391   22.700   1.5614   21.250   1.8034 1.450748 2.385429 
1 1 1   22   13    3 o   25.768   1.1045  659.394   54.130  728.799   72.303  570.890   81.648   27.354   1.3617   24.182   1.7393 3.171148 2.208951 
1 1 1   22   13    4 o   42.115   0.7521  1720.16   61.320  1657.20   83.144  1795.26   90.800   41.274   1.0377   42.955   1.0890 -1.680065 1.504239 
1 1 1   22   13    5 o   31.271   0.9440  961.321   56.714  1029.44   76.722  879.259   84.211   32.513   1.2156   30.028   1.4447 2.485508 1.888089 
1 1 1   22   13    6 o   40.485   0.8062  1584.83   62.589  1527.71   81.723  1665.87   97.337   39.618   1.0626   41.353   1.2126 -1.735142 1.612311 
1 1 1   22   13    7 o   50.146   0.7331  2443.38   71.193  2383.98   96.894  2513.06  104.951   49.489   1.0086   50.803   1.0642 -1.313866 1.466242 
1 1 1   22   13    8 o   28.202   1.0342  776.226   56.437  765.993   76.579  788.391   83.495   28.005   1.4087   28.398   1.5146 -0.3927326 2.068431 
1 1 1   22   13    9 o   48.157   0.7418  2253.43   69.115  2188.11   93.446  2332.33  102.696   47.395   1.0157   48.920   1.0814 -1.525188 1.483628 
1 1 1   22   13   10 o   34.311   0.8730  1139.10   57.734  1063.90   76.360  1239.48   88.215   33.009   1.1917   35.613   1.2761 -2.604187 1.745994 
1 1 1   22   13   11 o   42.296   0.7829  1747.54   64.209  1643.18   90.290  1854.32   91.329   41.011   1.1342   43.580   1.0796 -2.568710 1.565814 
1 1 1   22   13   12 o   24.335   1.1922  576.570   55.746  474.160   74.532  706.602   83.985   21.900   1.7532   26.771   1.6161 -4.871044 2.384454 
1 1 1   22   13   13 o   10.178   2.3129  107.088   52.376  123.798   69.428   85.017   79.792   10.820   3.1284   9.5364   3.4076 1.283967 4.625833 
1 1 1   22   13   14 o   10.407   2.3061  113.492   54.163  152.047   73.545   67.794   80.067   11.871   3.1424   8.9442   3.3762 2.926394 4.612283 
1 1 1   22   13   15 o   18.482   1.5569  345.626   55.767  350.211   77.038  340.578   80.831   18.635   2.1296   18.330   2.2718 0.3055038 3.113876 
1 1 1   22   13   16 o   31.497   1.0438  983.564   63.804  996.497   89.730  970.336   90.745   31.715   1.4575   31.280   1.4945 0.4354115 2.087544 
1 1 1   22   13   17 o   28.254   1.5797  835.172   82.543  879.678  104.173  760.093  135.304   29.547   1.8163   26.961   2.5853 2.585447 3.159495 
1 1 1   22   14    0 o   23.508   1.1066  537.591   50.457  518.135   69.629  559.106   73.221   23.061   1.5554   23.955   1.5746 -0.8933029 2.213294 
1 1 1   22   14    1 o   38.814   0.7840  1466.79   58.686  1479.46   78.836  1451.03   87.891   39.007   1.0412   38.621   1.1724 0.3860359 1.567944 
1 1 1   22   14    2 o   12.927   2.0036  175.936   49.130  207.758   63.497  128.465   77.554   14.563   2.2461   11.291   3.3186 3.272680 4.007230 
1 1 1   22   14    3 o   62.081   0.7212  3749.17   86.571  3755.72  117.414  3741.37  128.150   62.146   0.9733   62.016   1.0645 0.1304588 1.442381 
1 1 1   22   14    4 o   41.455   0.7673  1666.81   60.971  1639.11   79.816  1705.62   94.479   41.051   1.0016   41.860   1.1627 -0.8090019 1.534659 
1 1 1   22   14    5 o   35.885   0.8065  1251.68   55.816  1236.95   74.598  1270.43   84.132   35.651   1.0779   36.118   1.2000 -0.4675217 1.613024 
1 1 1   22   14    6 o   35.399   0.8480  1226.89   57.586  1264.34   76.514  1177.96   87.456   36.036   1.0938   34.762   1.2961 1.274651 1.695921 
1 1 1   22   14    7 o   53.439   0.7435  2775.54   76.788  2727.52  103.449  2834.47  114.594   52.932   1.0068   53.945   1.0943 -1.013256 1.486997 
1 1 1   22   14    8 o   51.135   0.7328  2547.74   72.695  2645.86  102.755  2449.41  102.859   52.125   1.0155   50.145   1.0567 1.979294 1.465571 
1 1 1   22   14    9 o   19.267   1.4615  368.621   53.970  385.694   71.933  346.632   81.636   19.808   1.8708   18.726   2.2458 1.081984 2.922916 
1 1 1   22   14   10 o   19.494   1.3471  381.535   49.987  447.093   68.901  308.686   72.631   21.331   1.6640   17.657   2.1190 3.673691 2.694300 
1 1 1   22   14   11 o   30.174   0.9456  884.096   54.932  833.886   72.386  952.273   84.349   29.186   1.2777   31.163   1.3944 -1.977549 1.891210 
1 1 1   22   14   12 o   30.911   0.9929  940.023   59.147  950.273   79.298  927.171   88.799   31.125   1.3125   30.697   1.4902 0.4274330 1.985776 
1 1 1   22   14   13 o   25.061   1.1174  619.656   54.342  606.299   77.164  632.800   76.542   24.787   1.6037   25.335   1.5564 -0.5480537 2.234796 
1 1 1   22   14   14 o   33.583   0.8995  1104.69   58.533  1048.91   79.861  1169.42   86.041   32.675   1.2591   34.492   1.2850 -1.817307 1.799065 
1 1 1   22   14   15 o   11.637   2.2502  148.114   52.338  140.669   75.036  155.168   73.039   11.349   3.2437   11.924   3.1196 -0.5752592 4.500381 
1 1 1   22   14   16 o   22.339   1.2980  500.520   56.252  476.618   78.820  525.330   80.305   21.784   1.8639   22.893   1.8070 -1.109285 2.596087 
1 1 1   22   14   17 o   33.023   1.3828  1103.99   86.943  1093.27  112.399  1119.95  137.182   32.962   1.7566   33.083   2.1361 -0.1205788 2.765630 
1 1 1   22   15    0 o   56.671   0.6922  3128.09   75.992  3256.07  105.664  2990.98  109.369   57.877   0.9405   55.465   1.0158 2.412884 1.384336 
1 1 1   22   15    1 o   21.035   1.2341  438.066   49.573  479.100   66.541  386.880   74.317   22.170   1.5462   19.899   1.9239 2.270897 2.468220 
1 1 1   22   15    2 o   47.146   0.7263  2160.88   66.239  2150.99   89.916  2172.61   97.951   47.032   0.9849   47.260   1.0677 -0.2279816 1.452564 
1 1 1   22   15    3 o   48.796   0.7253  2303.39   68.451  2174.03   92.136  2462.75  102.263   47.278   1.0039   50.315   1.0470 -3.036861 1.450562 
1 1 1   22   15    4 o   16.975   1.5860  282.603   51.853  281.226   69.088  284.379   78.466   16.939   2.1011   17.011   2.3763 -0.7162476E-01 3.171958 
1 1 1   22   15    5 f   14.947   1.9358  258.953   52.529  384.164   69.743   94.815   79.852   19.816   1.8131   10.079   3.4207 9.736791 3.871518 
1 1 1   22   15    6 o   38.197   0.8102  1421.31   59.787  1422.32   80.735  1420.07   88.967   38.219   1.0882   38.176   1.2006 0.4362106E-01 1.620349 
1 1 1   22   15    7 o   45.645   0.7418  2034.00   65.188  2070.25   87.215  1988.11   98.126   46.118   0.9742   45.173   1.1190 0.9449387 1.483695 
1 1 1   22   15    8 o   35.003   0.8953  1192.92   59.884  1180.79   77.923  1210.41   93.592   34.802   1.1534   35.204   1.3696 -0.4019203 1.790569 
1 1 1   22   15    9 o   40.498   0.7684  1599.88   60.290  1728.71   85.840  1474.46   84.696   42.114   1.0500   38.882   1.1221 3.231697 1.536812 
1 1 1   22   15   10 o   8.4786   2.2180   43.003   51.847  -8.5288   69.693  106.870   77.587   6.6242   2.8865   10.333   3.3685 -3.708883 4.436084 
1 1 1   22   15   11 o   39.445   0.8173  1518.70   62.190  1498.44   83.181  1544.39   93.646   39.163   1.0942   39.728   1.2143 -0.5657387 1.634540 
1 1 1   22   15   12 o   23.099   1.1631  526.636   52.151  520.206   73.777  533.057   73.728   22.956   1.6557   23.242   1.6341 -0.2868690 2.326280 
1 1 1   22   15   13 o   39.170   0.8159  1504.79   61.835  1532.23   84.541  1473.22   90.677   39.570   1.1006   38.769   1.2049 0.8008461 1.631889 
1 1 1   22   15   14 o   10.236   2.2110   93.844   55.001   10.968   74.848  191.131   81.095   7.2083   3.0637   13.265   3.1888 -6.056268 4.422079 
1 1 1   22   15   15 o   17.174   1.7196  303.087   56.744  315.025   76.119  288.154   85.131   17.628   2.2245   16.720   2.6229 0.9071293 3.439164 
1 1 1   22   15   16 f   40.170   1.0103  1594.83   77.755  1625.62  120.460  1572.84  101.803   40.437   1.5346   39.902   1.3143 0.5357170 2.020515 
1 1 1   22   15   17 o   21.650   1.8873  487.741   77.924  460.645  100.183  529.240  123.984   21.032   2.4538   22.268   2.8682 -1.236225 3.774637 
1 1 1   22   16    0 o   22.230   1.1264  480.374   48.532  449.058   66.655  515.708   70.801   21.461   1.6000   22.999   1.5858 -1.538452 2.252764 
1 1 1   22   16    1 o   44.266   0.7479  1911.65   63.929  1970.23   86.912  1842.59   94.367   45.012   0.9947   43.519   1.1171 1.493195 1.495724 
1 1 1   22   16    2 o   49.928   0.7108  2416.60   68.568  2347.51   92.043  2502.75  102.783   49.133   0.9651   50.723   1.0439 -1.590340 1.421619 
1 1 1   22   16    3 o   39.832   0.7814  1543.82   60.234  1541.78   82.015  1546.20   88.749   39.808   1.0614   39.857   1.1471 -0.4896927E-01 1.562786 
1 1 1   22   16    4 o   23.564   1.1608  539.828   52.651  524.053   69.634  560.884   80.452   23.172   1.5481   23.956   1.7300 -0.7839642 2.321544 
1 1 1   22   16    5 o   24.760   1.1046  597.743   52.896  587.665   71.550  609.890   78.553   24.536   1.5023   24.984   1.6197 -0.4480209 2.209138 
1 1 1   22   16    6 o   75.083   0.7866  5488.42  114.549  5434.00  158.313  5548.23  165.950   74.697   1.0918   75.468   1.1328 -0.7712555 1.573294 
1 1 1   22   16    7 o   57.079   0.7392  3172.52   81.831  3160.70  113.185  3185.46  118.446   56.972   1.0234   57.186   1.0670 -0.2144890 1.478485 
1 1 1   22   16    8 o   43.352   0.7773  1834.55   65.258  1879.72   89.976  1784.42   94.790   43.923   1.0553   42.781   1.1414 1.141895 1.554501 
1 1 1   22   16    9 o   42.575   0.7813  1761.77   64.406  1684.89   87.361  1853.30   95.325   41.565   1.0827   43.584   1.1267 -2.019108 1.562634 
1 1 1   22   16   10 o   27.934   1.0230  755.699   55.124  674.694   73.268  861.364   83.680   26.232   1.4389   29.636   1.4546 -3.404175 2.046027 
1 1 1   22   16   11 o   25.521   1.0913  643.311   53.740  563.516   76.009  723.072   75.992   23.910   1.6376   27.131   1.4429 -3.220804 2.182589 
1 1 1   22   16   12 f   42.485   0.8119  1762.63   66.836  1709.74   91.268  1823.80   98.148   41.806   1.1246   43.164   1.1714 -1.357643 1.623864 
1 1 1   22   16   13 o   23.282   1.2636  542.330   56.502  577.202   76.267  499.907   84.121   24.162   1.6260   22.401   1.9345 1.760906 2.527101 
1 1 1   22   16   14 o   8.2440   2.2017   42.916   53.627  101.903   72.447 -28.5794   79.759   9.9065   3.2562   6.5814   2.9643 3.325120 4.403453 
1 1 1   22   16   15 o   26.566   1.1838  700.928   60.969  661.201   83.824  745.553   88.842   25.768   1.6758   27.364   1.6725 -1.595720 2.367606 
1 1 1   22   16   16 o   12.682   2.3712  175.639   61.702  256.986   91.908  108.890   83.254   15.233   3.2094   10.130   3.4915 5.102819 4.742460 
1 1 1   22   16   17 o   8.1948   2.4761   13.859   74.364   73.270   94.253 -84.1088  121.032   9.1689   3.6085   7.2206   3.3916 1.948314 4.952192 
1 1 1   22   17    0 o   24.081   1.0789  574.206   49.087  609.544   63.742  522.714   76.945   25.019   1.3125   23.142   1.7128 1.877024 2.157847 
1 1 1   22   17    1 f   64.574   0.7230  4047.74   90.421  3944.16  123.148  4168.91  133.189   63.683   0.9962   65.465   1.0481 -1.782276 1.445971 
1 1 1   22   17    2 o   58.152   0.7164  3296.59   80.365  3358.68  108.381  3220.76  119.777   58.769   0.9500   57.535   1.0725 1.234364 1.432725 
1 1 1   22   17    3 o   74.062   0.7590  5319.50  108.767  5127.77  146.953  5551.78  161.749   72.597   1.0428   75.528   1.1032 -2.930878 1.518070 
1 1 1   22   17    4 o   54.860   0.7091  2915.76   74.799  2840.99   98.642  3016.92  114.737   54.044   0.9403   55.676   1.0616 -1.631828 1.418132 
1 1 1   22   17    5 o   61.171   0.7233  3642.72   85.774  3655.20  118.385  3628.93  124.448   61.286   0.9951   61.056   1.0500 0.2298508 1.446644 
1 1 1   22   17    6 o   68.103   0.7469  4517.29   98.716  4556.84  138.518  4476.48  140.720   68.408   1.0431   67.797   1.0693 0.6113968 1.493787 
1 1 1   22   17    7 o   15.528   1.8109  251.746   51.213  292.259   67.734  197.674   78.252   17.238   2.0242   13.817   3.0032 3.420938 3.621718 
1 1 1   22   17    8 o   24.308   1.1044  578.630   52.107  579.514   73.196  577.721   74.196   24.329   1.5499   24.288   1.5737 0.4092026E-01 2.208781 
1 1 1   22   17    9 o   18.734   1.5014  344.384   54.055  282.116   73.155  419.268   80.225   16.865   2.2346   20.603   2.0060 -3.737745 3.002862 
1 1 1   22   17   10 o   23.328   1.1720  535.123   52.946  543.337   77.870  528.062   72.204   23.484   1.7082   23.172   1.6052 0.3123951 2.344038 
1 1 1   22   17   11 o   16.002   1.8328  257.229   55.159  214.904   73.016  313.493   84.185   14.352   2.7204   17.652   2.4568 -3.300070 3.665599 
1 1 1   22   17   12 o   12.180   1.9357  138.448   52.804   19.558   70.207  293.302   80.125   7.2886   3.0234   17.071   2.4179 -9.782705 3.871337 
1 1 1   22   17   13 o   40.616   0.8059  1612.90   63.427  1559.75   86.681  1674.15   93.055   39.905   1.1190   41.328   1.1599 -1.423447 1.611717 
1 1 1   22   17   14 o   40.015   0.8047  1569.83   62.454  1479.46   87.084  1665.53   89.617   38.824   1.1555   41.207   1.1204 -2.382915 1.609473 
1 1 1   22   17   15 o   46.736   0.7817  2144.60   70.917  2140.53  100.768  2148.59   99.821   46.689   1.1119   46.783   1.0992 -0.9403229E-01 1.563472 
1 1 1   22   17   16 o   10.907   2.7746  104.659   76.384   41.429   96.420  211.215  125.168   8.5206   3.5395   13.293   4.2738 -4.772157 5.549227 
1 1 1   22   18    0 o   36.674   0.7744  1308.33   55.091  1241.67   77.278  1377.23   78.560   35.722   1.1144   37.625   1.0756 -1.902756 1.548838 
1 1 1   22   18    1 o   46.807   0.7366  2145.08   66.405  2272.45   90.236  1994.61   98.077   48.340   0.9616   45.273   1.1160 3.066666 1.473137 
1 1 1   22   18    2 o   63.648   0.7265  3942.73   89.705  3996.47  125.182  3885.99  128.613   64.097   1.0061   63.199   1.0484 0.8982010 1.453025 
1 1 1   22   18    3 o   22.540   1.1708  495.394   51.032  486.313   68.920  506.415   75.927   22.318   1.5909   22.763   1.7183 -0.4453526 2.341663 
1 1 1   22   18    4 o   22.694   1.1795  501.618   51.727  485.418   69.452  521.798   77.515   22.290   1.6051   23.098   1.7288 -0.8080387 2.359067 
1 1 1   22   18    5 o   33.913   0.8773  1111.06   57.215  1052.32   75.137  1192.13   88.267   32.863   1.1778   34.963   1.3006 -2.100060 1.754645 
1 1 1   22   18    6 o   24.358   1.1296  576.713   53.237  525.055   72.115  638.586   78.923   23.166   1.6036   25.550   1.5913 -2.383661 2.259174 
1 1 1   22   18    7 o   33.781   0.8495  1112.26   55.687  1087.52   77.436  1138.75   80.138   33.393   1.1946   34.168   1.2082 -0.7754936 1.699093 
1 1 1   22   18    8 o   23.134   1.1803  519.775   52.416  491.738   68.462  559.490   81.482   22.401   1.5744   23.866   1.7588 -1.465258 2.360515 
1 1 1   22   18    9 o   8.4629   2.1648   53.712   48.659   8.2925   68.678   99.493   68.951   6.9824   2.9495   9.9434   3.1694 -2.961040 4.329520 
1 1 1   22   18   10 o   44.601   0.7965  1942.48   68.709  1926.60   93.115  1961.45  101.804   44.413   1.0801   44.788   1.1710 -0.3751907 1.592997 
1 1 1   22   18   11 o   43.979   0.8006  1895.98   68.213  1981.57   95.011  1804.93   97.993   45.019   1.0872   42.939   1.1756 2.079956 1.601290 
1 1 1   22   18   12 o   34.989   0.8623  1199.81   58.551  1196.23   83.668  1203.25   81.966   34.934   1.2338   35.044   1.2049 -0.1103859 1.724563 
1 1 1   22   18   13 o   19.948   1.4038  402.525   53.651  442.797   72.949  355.077   79.183   21.104   1.7807   18.791   2.1708 2.313717 2.807691 
1 1 1   22   18   14 o   17.814   1.6340  322.928   56.267  330.336   76.765  314.328   82.714   18.076   2.1877   17.552   2.4277 0.5243835 3.268009 
1 1 1   22   18   15 o   25.155   1.2465  632.360   60.838  616.176   84.483  649.792   87.682   24.825   1.7531   25.485   1.7724 -0.6599255 2.492973 
1 1 1   22   18   16 o   18.508   2.3133  385.158   78.332  415.742  101.474  340.058  123.224   19.920   2.6242   17.096   3.8104 2.824379 4.626626 
1 1 1   22   19    0 o   35.662   0.7969  1235.06   54.138  1224.19   69.968  1251.29   85.460   35.476   1.0160   35.849   1.2281 -0.3726959 1.593877 
1 1 1   22   19    1 o   51.806   0.7041  2611.43   70.455  2619.55   95.098  2601.55  104.898   51.901   0.9439   51.711   1.0450 0.1899300 1.408202 
1 1 1   22   19    2 o   34.767   0.8453  1179.49   56.126  1190.71   73.277  1163.57   87.302   34.978   1.0792   34.556   1.3015 0.4219437 1.690699 
1 1 1   22   19    3 o   37.048   0.8197  1346.44   58.472  1439.99   79.653  1237.11   86.108   38.463   1.0668   35.633   1.2449 2.830627 1.639449 
1 1 1   22   19    4 o   43.909   0.7338  1884.38   62.133  1952.51   84.102  1802.52   92.192   44.795   0.9672   43.023   1.1039 1.771507 1.467666 
1 1 1   22   19    5 o   44.171   0.7217  1902.45   61.772  1963.37   85.799  1836.90   89.008   44.911   0.9842   43.431   1.0558 1.479984 1.443316 
1 1 1   22   19    6 o   7.6634   2.1839   27.800   49.691   20.612   66.306   37.010   75.053   7.2514   2.9657   8.0754   3.2067 -0.8240676 4.367878 
1 1 1   22   19    7 f   15.348   1.7682  235.243   51.415  210.787   69.744  264.354   76.094   14.359   2.5978   16.337   2.3995 -1.977990 3.536397 
1 1 1   22   19    8 o   29.750   0.9540  859.860   54.909  785.736   74.248  949.333   81.574   28.345   1.3494   31.156   1.3488 -2.811508 1.907925 
1 1 1   22   19    9 o   37.773   0.8631  1391.93   63.189  1340.41   86.508  1450.86   92.519   37.029   1.2035   38.517   1.2374 -1.487633 1.726143 
1 1 1   22   19   10 o   18.196   1.5819  336.913   54.537  407.595   75.813  261.109   78.512   20.278   1.9260   16.113   2.5100 4.164665 3.163811 
1 1 1   22   19   11 o   24.847   1.1114  609.902   53.373  543.916   75.311  676.486   75.651   23.474   1.6528   26.221   1.4863 -2.746838 2.222768 
1 1 1   22   19   12 o   15.669   1.9140  257.947   55.898  300.030   77.052  211.194   81.215   17.272   2.2981   14.066   3.0613 3.205910 3.827948 
1 1 1   22   19   13 o   56.277   0.7792  3101.67   85.059  3055.92  117.605  3151.86  123.171   55.851   1.0848   56.704   1.1190 -0.8530006 1.558476 
1 1 1   22   19   14 o   50.915   0.7748  2542.98   76.504  2538.85  105.810  2547.50  110.745   50.884   1.0712   50.946   1.1198 -0.6256485E-01 1.549678 
1 1 1   22   19   15 o   26.024   1.3203  672.676   66.297  760.786  100.588  605.002   88.154   27.505   1.8839   24.543   1.8503 2.962105 2.640618 
1 1 1   22   19   16 o   7.5601   2.4014 -18.2115   73.364   9.7727   93.027 -64.2464  119.316   7.7007   3.3454   7.4194   3.4460 0.2813210 4.802825 
1 1 1   22   20    0 o   61.072   0.7088  3621.99   83.947  3491.24  115.654  3767.58  122.042   59.910   0.9945   62.234   1.0102 -2.323685 1.417584 
1 1 1   22   20    1 o   33.647   0.8380  1101.84   54.665  1091.53   75.252  1113.36   79.544   33.483   1.1578   33.812   1.2119 -0.3281250 1.676066 
1 1 1   22   20    2 o  100.431   0.9338  9830.49  182.015  9775.29  254.931  9887.88  259.959  100.146   1.3114  100.715   1.3297 -0.5691681 1.867537 
1 1 1   22   20    3 o   34.548   0.8717  1162.11   58.205  1152.72   78.569  1173.53   86.651   34.399   1.1766   34.696   1.2866 -0.2967377 1.743455 
1 1 1   22   20    4 o   48.828   0.7319  2321.52   69.272  2326.90   95.501  2315.54  100.630   48.892   1.0062   48.764   1.0631 0.1278000 1.463779 
1 1 1   22   20    5 o   22.097   1.2190  472.175   51.935  409.580   69.296  552.396   78.448   20.445   1.7460   23.749   1.7016 -3.304075 2.438044 
1 1 1   22   20    6 o   33.277   0.8575  1083.06   55.201  1181.02   77.794  983.716   78.341   34.805   1.1514   31.750   1.2711 3.055479 1.715086 
1 1 1   22   20    7 o   14.583   1.9579  238.145   51.762  312.211   67.549  132.784   80.566   17.807   1.9542   11.359   3.3934 6.447747 3.915869 
1 1 1   22   20    8 o   16.089   1.7142  267.588   50.788  311.602   68.919  215.278   75.134   17.758   1.9993   14.419   2.7851 3.338667 3.428413 
1 1 1   22   20    9 o   34.000   0.8881  1131.06   58.408  1129.28   79.329  1133.16   86.315   33.982   1.2026   34.018   1.3071 -0.3530502E-01 1.776172 
1 1 1   22   20   10 o   30.230   0.9369  894.950   54.930  930.938   79.806  862.551   75.722   30.804   1.3346   29.656   1.3154 1.148497 1.873869 
1 1 1   22   20   11 o   46.300   0.7769  2105.06   69.528  2244.51   96.318  1953.34  100.468   47.928   1.0353   44.673   1.1586 3.254421 1.553724 
1 1 1   22   20   12 o   27.033   1.0823  731.101   55.567  777.828   72.969  666.598   85.733   28.129   1.3364   25.937   1.7028 2.191282 2.164553 
1 1 1   22   20   13 o   16.674   1.6480  281.536   53.242  275.261   72.797  288.753   78.070   16.491   2.2740   16.856   2.3860 -0.3644600 3.296049 
1 1 1   22   20   14 o   10.982   2.3320  126.588   55.129  178.665   82.377   84.343   74.194   12.706   3.3077   9.2585   3.2882 3.447217 4.664024 
1 1 1   22   20   15 o   37.609   1.2300  1427.68   88.387  1487.82  116.811  1347.13  135.190   38.659   1.5566   36.559   1.9050 2.100372 2.460037 
1 1 1   22   20   16 o   13.866   2.7871  233.724   79.302  260.034  103.619  196.527  123.208   14.971   3.6080   12.761   4.2489 2.209659 5.574165 
1 1 1   22   21    0 o   26.479   1.0090  687.969   51.117  711.076   67.511  656.923   78.254   27.015   1.2874   25.943   1.5539 1.071844 2.017902 
1 1 1   22   21    1 f   40.320   0.7638  1604.26   58.825  1742.99   78.782  1429.45   88.434   42.329   0.9588   38.310   1.1891 4.018955 1.527527 
1 1 1   22   21    2 o   26.798   1.0049  690.012   51.699  633.284   67.328  771.513   80.701   25.482   1.3611   28.114   1.4788 -2.631678 2.009822 
1 1 1   22   21    3 o   46.212   0.7039  2076.68   62.966  2054.63   85.653  2102.61   92.879   45.950   0.9603   46.474   1.0295 -0.5243988 1.407855 
1 1 1   22   21    4 o   20.001   1.2434  388.727   48.046  359.953   64.225  425.294   72.402   19.171   1.7258   20.831   1.7905 -1.660341 2.486815 
1 1 1   22   21    5 o   38.643   0.8081  1450.67   59.964  1423.41   78.866  1488.02   92.320   38.225   1.0628   39.061   1.2175 -0.8355637 1.616189 
1 1 1   22   21    6 o   8.8296   2.2393   65.484   50.727   95.561   67.176   25.579   77.377   9.8179   3.1283   7.8412   3.2050 1.976676 4.478627 
1 1 1   22   21    7 f   54.743   0.7170  2920.99   76.188  2927.15  107.466  2914.75  108.030   54.802   1.0102   54.684   1.0177 0.1179199 1.433949 
1 1 1   22   21    8 o   61.543   0.7411  3693.30   88.434  3646.78  121.911  3744.98  128.475   61.141   1.0272   61.945   1.0684 -0.8047867 1.482109 
1 1 1   22   21    9 o   18.951   1.3743  357.752   50.056  416.756   71.054  299.616   70.529   20.542   1.7819   17.361   2.0929 3.181337 2.748665 
1 1 1   22   21   10 o   23.333   1.1982  531.936   53.970  475.382   72.052  604.225   81.461   21.936   1.6921   24.730   1.6969 -2.793457 2.396373 
1 1 1   22   21   11 o   13.226   2.1182  183.567   53.329  144.536   72.004  230.990   79.369   11.634   3.1229   14.819   2.8628 -3.184583 4.236461 
1 1 1   22   21   12 o   23.194   1.2050  534.578   54.148  503.753   77.279  564.308   75.893   22.517   1.7680   23.871   1.6378 -1.354151 2.410024 
1 1 1   22   21   13 o   16.638   1.7315  282.526   55.895  271.167   78.737  294.065   79.363   16.287   2.4904   16.989   2.4064 -0.7021942 3.463059 
1 1 1   22   21   14 o   26.431   1.1996  694.018   61.408  656.814   83.507  737.826   90.616   25.671   1.6758   27.190   1.7168 -1.519464 2.399107 
1 1 1   22   21   15 o   8.9505   2.6409   43.134   75.296   22.407   97.648   73.534  118.256   8.1471   3.4819   9.7538   3.9716 -1.606677 5.281812 
1 1 1   22   22    0 o   77.387   0.7833  5829.14  117.623  5787.52  163.955  5873.28  168.841   77.105   1.0954   77.669   1.1199 -0.5639725 1.566527 
1 1 1   22   22    1 o   41.039   0.7585  1640.08   60.315  1647.40   82.919  1631.85   87.894   41.141   1.0383   40.938   1.1060 0.2023430 1.517019 
1 1 1   22   22    2 o   45.143   0.7576  1987.97   66.229  2048.44   91.434  1921.22   96.061   45.873   1.0268   44.414   1.1142 1.458942 1.515182 
1 1 1   22   22    3 o   51.844   0.7364  2621.44   73.967  2701.90  102.461  2533.87  106.890   52.682   1.0019   51.006   1.0796 1.676689 1.472857 
1 1 1   22   22    4 o   56.015   0.7191  3049.39   78.084  2949.24  107.026  3163.36  114.176   55.036   1.0018   56.993   1.0320 -1.957306 1.438277 
1 1 1   22   22    5 o   26.212   1.0313  672.308   52.262  678.898   71.008  664.519   77.198   26.361   1.3877   26.062   1.5259 0.2984772 2.062512 
1 1 1   22   22    6 o   15.547   1.6808  237.793   50.495  220.449   67.582  259.714   75.976   14.917   2.3340   16.178   2.4192 -1.261770 3.361563 
1 1 1   22   22    7 o   47.449   0.7382  2184.81   67.751  2072.17   91.243  2323.26  101.152   46.098   1.0196   48.800   1.0678 -2.702080 1.476427 
1 1 1   22   22    8 o   18.032   1.5022  337.521   50.067  397.984   65.916  255.068   76.975   20.103   1.6891   15.960   2.4845 4.142602 3.004320 
1 1 1   22   22    9 o   9.3677   2.3195   83.228   52.020   87.413   70.539   78.239   77.022   9.4590   3.2150   9.2763   3.3443 0.1826925 4.639042 
1 1 1   22   22   10 o   35.634   0.8847  1244.42   60.950  1244.04   82.561  1244.88   90.358   35.644   1.1932   35.624   1.3066 0.1924133E-01 1.769499 
1 1 1   22   22   11 o   22.328   1.2244  493.882   53.063  493.587   74.397  494.187   75.705   22.325   1.7167   22.331   1.7464 -0.5800247E-02 2.448872 
1 1 1   22   22   12 o   16.985   1.6908  294.496   55.254  310.393   74.795  275.397   81.980   17.551   2.1954   16.420   2.5721 1.131155 3.381591 
1 1 1   22   22   13 o   11.579   2.4080  145.609   57.472  130.424   76.672  165.083   86.827   10.955   3.3189   12.202   3.4898 -1.247212 4.816042 
1 1 1   22   22   14 o   6.9815   2.2029 -27.6129   62.537 -76.4192   90.291   17.388   86.700   6.2341   2.9286   7.7289   3.2914 -1.494775 4.405712 
1 1 1   22   22   15 o   12.223   2.8020  155.515   75.712   98.412   94.549  257.579  126.404   9.8903   3.6817   14.556   4.2249 -4.665991 5.603977 
1 1 1   22   23    0 o   30.597   0.8809  914.809   51.919  933.220   69.650  891.785   77.888   30.953   1.1592   30.241   1.3268 0.7116852 1.761872 
1 1 1   22   23    1 o   52.672   0.6980  2702.75   71.251  2753.25   98.577  2647.51  103.103   53.192   0.9547   52.152   1.0184 1.040619 1.395942 
1 1 1   22   23    2 o   58.839   0.7015  3371.50   80.068  3419.64  111.765  3320.74  114.762   59.274   0.9714   58.403   1.0123 0.8704453 1.402929 
1 1 1   22   23    3 o   18.523   1.3239  337.871   47.301  348.855   64.055  324.697   70.148   18.868   1.7489   18.178   1.9880 0.6902847 2.647746 
1 1 1   22   23    4 o   26.729   1.0313  718.541   51.798  807.730   68.174  596.744   79.668   28.777   1.2204   24.682   1.6628 4.094423 2.062603 
1 1 1   22   23    5 o   13.279   1.9922  193.171   50.586  255.879   66.749  108.559   77.535   16.104   2.1353   10.454   3.3640 5.650093 3.984451 
1 1 1   22   23    6 o   28.517   0.9930  792.175   54.830  722.541   74.898  872.589   80.487   27.170   1.4201   29.864   1.3884 -2.693697 1.986035 
1 1 1   22   23    7 o   52.244   0.7571  2664.75   76.632  2677.50  105.266  2650.38  111.775   52.387   1.0351   52.102   1.1052 0.2847977 1.514233 
1 1 1   22   23    8 o   16.530   1.7126  282.204   52.368  313.103   70.008  242.951   78.908   17.762   2.0305   15.299   2.7585 2.462891 3.425225 
1 1 1   22   23    9 o   11.680   2.2657  141.181   53.546  104.424   71.458  188.250   80.863   10.090   3.2277   13.271   3.1805 -3.180959 4.531387 
1 1 1   22   23   10 o   34.049   0.8919  1138.98   58.820  1193.48   81.951  1081.07   84.475   34.904   1.2095   33.193   1.3110 1.711094 1.783740 
1 1 1   22   23   11 o   39.768   0.8603  1550.45   66.319  1531.20   91.143  1572.10   96.682   39.516   1.1882   40.021   1.2445 -0.5044708 1.720622 
1 1 1   22   23   12 o   10.885   2.1109  104.746   57.866 -22.0500   80.199  242.446   83.576   6.7210   3.0040   15.049   2.9664 -8.327719 4.221848 
1 1 1   22   23   13 o   8.5057   2.3345   56.102   55.926   77.102   77.034   32.701   81.321   9.0770   3.3335   7.9343   3.2692 1.142667 4.669043 
1 1 1   22   23   14 o   9.6842   2.7198   71.655   74.790   46.502   95.161  112.296  120.959   8.6359   3.5449   10.733   4.1259 -2.096562 5.439600 
1 1 1   22   23   15 o   24.043   1.7978  579.631   82.132  465.996  104.661  761.783  132.510   21.095   2.5559   26.992   2.5290 -5.897045 3.595658 
1 1 1   22   24    0 o   33.749   0.8311  1111.07   54.352  1133.12   75.130  1086.85   78.726   34.105   1.1348   33.393   1.2145 0.7123985 1.662176 
1 1 1   22   24    1 o   34.386   0.8225  1144.71   54.617  1082.77   72.896  1223.98   82.467   33.337   1.1265   35.435   1.1989 -2.098427 1.645068 
1 1 1   22   24    2 o   33.128   0.8835  1070.11   56.409  1067.77   75.376  1073.09   85.044   33.097   1.1732   33.160   1.3212 -0.6335831E-01 1.766909 
1 1 1   22   24    3 o   45.275   0.7468  1996.10   65.409  1987.44   88.803  2006.37   96.704   45.175   1.0127   45.376   1.0979 -0.2012711 1.493598 
1 1 1   22   24    4 o   54.666   0.7169  2910.63   76.072  2946.91  108.365  2875.39  106.817   55.001   1.0150   54.330   1.0128 0.6711121 1.433859 
1 1 1   22   24    5 o   16.498   1.5908  269.554   50.933  273.932   71.581  265.065   72.488   16.639   2.2162   16.358   2.2829 0.2810459 3.181679 
1 1 1   22   24    6 o   74.792   0.7839  5455.63  113.709  5366.90  156.914  5553.76  165.010   74.159   1.0900   75.425   1.1270 -1.265808 1.567898 
1 1 1   22   24    7 o   42.259   0.7812  1739.57   63.885  1689.18   86.460  1800.16   94.810   41.595   1.0708   42.924   1.1379 -1.328472 1.562486 
1 1 1   22   24    8 o   34.372   0.8722  1150.09   57.519  1114.13   75.282  1200.54   89.156   33.750   1.1491   34.993   1.3125 -1.243343 1.744442 
1 1 1   22   24    9 o   31.740   0.9192  987.896   56.620  979.579   78.935  996.711   81.260   31.606   1.2866   31.875   1.3133 -0.2683544 1.838489 
1 1 1   22   24   10 o   20.034   1.4579  398.479   56.315  382.495   74.813  419.378   85.545   19.598   1.9665   20.470   2.1528 -0.8717823 2.915738 
1 1 1   22   24   11 o   22.151   1.3545  486.354   58.013  452.392   77.943  528.534   86.864   21.300   1.8851   23.002   1.9454 -1.702887 2.708905 
1 1 1   22   24   12 o   8.0726   2.2713   44.117   53.453   35.723   76.885   51.969   74.365   7.8848   3.2056   8.2605   3.2185 -0.3756618 4.542534 
1 1 1   22   24   13 o   30.957   1.0725  950.681   64.426  952.991   90.042  948.258   92.222   31.004   1.4961   30.909   1.5370 0.9506989E-01 2.144942 
1 1 1   22   24   14 o   30.769   1.4322  989.449   82.013  1096.44  106.193  831.305  129.105   33.117   1.6519   28.422   2.3400 4.694883 2.864342 
1 1 1   22   24   15 o   8.3953   2.5897   13.455   76.935  -2.1897   96.933   40.088  126.470   7.5924   3.3530   9.1983   3.9477 -1.605878 5.179452 
1 1 1   22   25    0 o   41.907   0.7083  1710.89   57.562  1740.04   80.092  1679.75   82.785   42.280   0.9759   41.534   1.0268 0.7453575 1.416549 
1 1 1   22   25    1 o   27.896   0.9208  759.476   49.757  761.758   68.260  756.888   72.681   27.945   1.2583   27.846   1.3446 0.9929848E-01 1.841557 
1 1 1   22   25    2 o   58.055   0.7032  3285.74   79.148  3393.75  110.485  3171.87  113.438   59.042   0.9640   57.068   1.0240 1.973797 1.406374 
1 1 1   22   25    3 o   67.888   0.7536  4489.29   99.236  4449.02  137.412  4533.18  143.464   67.574   1.0476   68.201   1.0836 -0.6269989 1.507205 
1 1 1   22   25    4 o   30.629   0.9199  916.337   53.812  915.784   70.093  917.132   83.981   30.635   1.1786   30.622   1.4128 0.1296043E-01 1.839884 
1 1 1   22   25    5 o   48.158   0.7313  2260.16   68.041  2247.87   91.732  2275.18  101.450   48.023   0.9840   48.292   1.0822 -0.2694702 1.462693 
1 1 1   22   25    6 o   32.863   0.8985  1052.04   57.064  1011.39   76.584  1102.77   85.561   32.161   1.2267   33.564   1.3132 -1.403263 1.797042 
1 1 1   22   25    7 o   44.471   0.7844  1929.62   67.560  1891.51   92.086  1974.05   99.423   44.004   1.0780   44.937   1.1398 -0.9329109 1.568830 
1 1 1   22   25    8 o   23.218   1.1686  532.189   52.654  540.941   74.049  523.239   74.888   23.416   1.6290   23.019   1.6759 0.3971806 2.337193 
1 1 1   22   25    9 o   19.937   1.4242  403.232   53.976  469.748   73.990  327.566   78.914   21.790   1.7493   18.084   2.2480 3.705551 2.848384 
1 1 1   22   25   10 o   17.617   1.5782  309.276   53.673  268.868   72.521  358.220   79.813   16.341   2.2863   18.894   2.1762 -2.552874 3.156375 
1 1 1   22   25   11 o   32.891   0.9129  1061.23   58.187  1014.70   79.504  1114.91   85.390   32.122   1.2750   33.660   1.3068 -1.537823 1.825791 
1 1 1   22   25   12 o   21.966   1.4138  481.397   59.491  463.009   77.478  507.814   92.863   21.511   1.8554   22.420   2.1337 -0.9086857 2.827622 
1 1 1   22   25   13 f   16.707   2.2199  307.746   69.009  264.114  104.913  341.022   91.619   15.276   3.5974   18.138   2.6021 -2.862428 4.439853 
1 1 1   22   25   14 o   17.828   2.3514  351.727   77.086  349.988   97.850  354.571  125.154   18.193   2.7707   17.463   3.7999 0.7299309 4.702745 
1 1 1   22   26    0 o   35.817   0.7919  1253.50   54.893  1351.83   77.091  1152.38   78.181   37.252   1.0661   34.382   1.1714 2.870628 1.583900 
1 1 1   22   26    1 o   53.881   0.7144  2826.23   74.696  2790.63  103.945  2864.25  107.414   53.532   1.0003   54.230   1.0204 -0.6978798 1.428899 
1 1 1   22   26    2 o   30.232   0.9010  893.513   52.530  904.668   70.638  879.712   78.571   30.454   1.1949   30.010   1.3487 0.4435120 1.801916 
1 1 1   22   26    3 o   36.258   0.8225  1282.49   57.875  1323.86   82.214  1241.85   81.486   36.840   1.1497   35.676   1.1766 1.163486 1.645042 
1 1 1   22   26    4 o   38.878   0.7820  1472.31   58.961  1387.84   81.679  1564.23   85.200   37.714   1.1157   40.043   1.0961 -2.328728 1.564030 
1 1 1   22   26    5 o   25.147   1.0882  622.680   52.842  641.983   71.828  599.909   78.013   25.590   1.4460   24.705   1.6268 0.8854103 2.176496 
1 1 1   22   26    6 o   52.177   0.7489  2660.42   75.784  2741.09  106.042  2576.21  108.346   52.994   1.0308   51.359   1.0867 1.634560 1.497877 
1 1 1   22   26    7 o   29.964   0.9762  881.967   56.273  886.247   74.884  876.413   85.294   30.070   1.2829   29.857   1.4717 0.2131863 1.952324 
1 1 1   22   26    8 f   23.419   1.2365  542.617   55.488  543.482   72.943  541.428   85.485   23.477   1.6006   23.361   1.8851 0.1153374 2.472939 
1 1 1   22   26    9 o   32.292   0.9460  1027.16   58.959  1055.10   79.881  993.724   87.384   32.799   1.2547   31.785   1.4163 1.013569 1.892078 
1 1 1   22   26   10 o   10.451   2.2052  108.271   53.567   34.493   75.330  183.736   76.186   7.8381   3.1779   13.064   3.0583 -5.225817 4.410473 
1 1 1   22   26   11 o   22.046   1.3665  486.740   58.029  411.744   80.563  567.602   83.655   20.238   2.0507   23.854   1.8066 -3.615938 2.732941 
1 1 1   22   26   12 o   25.234   1.2947  647.858   61.869  696.867   81.212  580.076   95.508   26.488   1.5794   23.979   2.0518 2.508595 2.589317 
1 1 1   22   26   13 o   56.920   1.1118  3220.46  122.309  3160.11  164.784  3294.48  182.514   56.388   1.5054   57.452   1.6365 -1.064072 2.223651 
1 1 1   22   26   14 o   11.406   2.7442  149.200   77.243  200.252  100.302   74.799  121.085   13.052   3.7563   9.7592   4.0015 3.292610 5.488309 
1 1 1   22   27    0 o   47.274   0.7140  2176.14   65.504  2253.91   93.356  2100.72   91.933   48.107   0.9997   46.441   1.0198 1.666786 1.428053 
1 1 1   22   27    1 o   46.853   0.7175  2137.96   65.228  2155.16   93.705  2121.79   90.854   47.033   1.0263   46.672   1.0028 0.3616028 1.434926 
1 1 1   22   27    2 o   29.620   0.9249  861.362   52.896  914.622   72.700  801.451   77.106   30.610   1.2235   28.630   1.3874 1.979572 1.849803 
1 1 1   22   27    3 o   62.684   0.7309  3835.34   88.807  3927.91  123.185  3735.16  128.146   63.482   0.9996   61.886   1.0667 1.595188 1.461898 
1 1 1   22   27    4 o   27.246   1.0341  736.182   53.833  786.008   71.679  671.714   81.534   28.344   1.3028   26.149   1.6063 2.195671 2.068173 
1 1 1   22   27    5 o   60.307   0.7364  3550.67   86.187  3617.15  121.234  3482.75  122.549   60.882   1.0258   59.731   1.0569 1.151749 1.472890 
1 1 1   22   27    6 o   51.316   0.7411  2571.80   73.575  2569.90  100.050  2574.04  108.574   51.308   1.0045   51.323   1.0898 -0.1510239E-01 1.482141 
1 1 1   22   27    7 o   19.538   1.3631  381.588   51.079  314.163   72.035  449.771   72.439   17.751   2.0905   21.324   1.7500 -3.573082 2.726284 
1 1 1   22   27    8 o   10.171   2.1238   82.032   53.391 -10.0201   71.106  201.008   80.839   6.6121   2.8975   13.730   3.1058 -7.117663 4.247538 
1 1 1   22   27    9 o   14.585   2.0187  228.809   55.283  285.941   75.987  164.560   80.581   16.841   2.3243   12.328   3.3013 4.513128 4.037452 
1 1 1   22   27   10 o   11.453   1.9071  133.231   54.906  267.455   74.262 -28.6167   81.546   16.241   2.3555   6.6649   3.0001 9.576586 3.814276 
1 1 1   22   27   11 o   26.392   1.1738  695.089   59.898  735.948   82.901  650.459   86.642   27.241   1.5677   25.544   1.7473 1.696964 2.347548 
1 1 1   22   27   12 o   21.453   1.5513  470.690   63.352  451.283   98.440  484.411   82.770   20.969   2.4184   21.937   1.9437 -0.9679184 3.102651 
1 1 1   22   27   13 o   8.1488   2.5749 -16.7424   78.927 -40.9788   97.285   29.930  135.003   6.9924   3.1981   9.3051   4.0363 -2.312657 5.149703 
1 1 1   22   28    0 o   43.574   0.7161  1840.64   60.195  1772.20   80.171  1929.09   91.135   42.657   0.9682   44.491   1.0552 -1.833721 1.432114 
1 1 1   22   28    1 o   28.329   0.9225  783.600   50.443  779.221   67.734  789.054   75.584   28.250   1.2352   28.408   1.3707 -0.1581116 1.845081 
1 1 1   22   28    2 o   35.191   0.7931  1210.85   53.970  1239.37   73.713  1177.90   79.235   35.648   1.0652   34.734   1.1752 0.9134369 1.586102 
1 1 1   22   28    3 o   7.9412   2.1836   42.673   48.456   51.433   66.351   32.661   70.934   8.1471   3.0739   7.7354   3.1022 0.4117246 4.367167 
1 1 1   22   28    4 o   15.582   1.8148  260.817   50.800  329.565   68.330  175.859   75.959   18.255   1.9282   12.909   3.0751 5.345564 3.629607 
1 1 1   22   28    5 o   42.634   0.7839  1774.46   64.681  1753.47   87.883  1799.27   95.543   42.369   1.0685   42.898   1.1473 -0.5290337 1.567854 
1 1 1   22   28    6 o   24.789   1.1303  604.208   54.319  571.883   74.611  640.664   79.236   24.086   1.5958   25.492   1.6012 -1.405951 2.260637 
1 1 1   22   28    7 o   12.606   2.2200  165.633   55.290  112.892   74.409  230.648   82.615   10.433   3.2890   14.778   2.9827 -4.345269 4.440027 
1 1 1   22   28    8 o   22.278   1.2122  495.121   51.845  573.963   72.995  414.862   73.648   24.119   1.5591   20.436   1.8565 3.682919 2.424302 
1 1 1   22   28    9 o   11.724   2.2666  144.156   52.968  115.274   69.372  184.535   82.026   10.419   3.1571   13.029   3.2531 -2.610472 4.533210 
1 1 1   22   28   10 o   34.208   0.9745  1163.65   64.046  1242.48   86.619  1068.56   95.128   35.543   1.2555   32.873   1.4908 2.669956 1.948982 
1 1 1   22   28   11 o   25.580   1.2082  652.753   59.792  721.516   85.342  586.458   83.797   26.934   1.6323   24.227   1.7818 2.707268 2.416464 
1 1 1   22   28   12 o   10.449   2.7413   97.111   74.695   49.513   96.678  167.607  117.655   8.7523   3.5805   12.145   4.1520 -3.392929 5.482660 
1 1 1   22   28   13 f   29.800   1.6119  932.430   88.522  978.684  111.190  852.363  146.290   31.132   1.8399   28.469   2.6472 2.663532 3.223767 
1 1 1   22   29    0 o   23.606   1.1091  551.144   50.358  613.233   69.656  483.157   72.889   25.030   1.4336   22.181   1.6928 2.849344 2.218298 
1 1 1   22   29    1 f   41.595   0.7500  1684.16   60.490  1585.63   83.543  1792.74   87.701   40.317   1.0675   42.872   1.0538 -2.555073 1.499992 
1 1 1   22   29    2 o   6.4065   1.9659 -16.0731   45.868 -44.8455   60.559   22.641   70.247   5.3872   2.4855   7.4259   3.0466 -2.038764 3.931883 
1 1 1   22   29    3 o   28.332   0.9725  784.208   53.389  725.125   73.407  850.556   77.790   27.200   1.3903   29.465   1.3601 -2.264870 1.944917 
1 1 1   22   29    4 o   38.006   0.8139  1408.47   59.904  1361.02   81.432  1464.44   88.434   37.317   1.1241   38.696   1.1773 -1.378803 1.627810 
1 1 1   22   29    5 f   33.197   0.9206  1080.79   58.768  1081.92   78.000  1079.31   89.377   33.240   1.2088   33.154   1.3888 0.8670807E-01 1.841180 
1 1 1   22   29    6 o   19.203   1.4041  362.611   51.937  306.607   69.804  432.059   77.734   17.545   2.0495   20.860   1.9196 -3.315094 2.808127 
1 1 1   22   29    7 o   25.904   1.0948  660.382   54.810  650.468   73.875  672.521   81.746   25.705   1.4805   26.103   1.6133 -0.3976994 2.189698 
1 1 1   22   29    8 o   33.233   0.9876  1095.80   63.167  1184.50   86.377  993.836   92.611   34.727   1.2814   31.739   1.5032 2.988134 1.975198 
1 1 1   22   29    9 o   20.101   1.4964  406.723   57.599  325.526   79.658  495.696   83.386   17.937   2.2878   22.265   1.9293 -4.328588 2.992733 
1 1 1   22   29   10 o   28.810   1.0907  821.586   60.958  791.231   84.465  854.584   88.064   28.256   1.5399   29.363   1.5450 -1.107418 2.181387 
1 1 1   22   29   11 o   9.2708   2.4550   78.719   59.043   73.745   77.583   85.565   91.016   8.9565   3.3349   9.5852   3.6036 -0.6286678 4.909927 
1 1 1   22   29   12 o   27.276   1.5892  775.960   82.245  857.076  109.715  671.901  124.265   29.116   1.9412   25.436   2.5167 3.680349 3.178388 
1 1 1   22   29   13 o   7.6789   2.4874 -40.4940   83.307 -24.9652  109.929 -61.4433  127.681   7.6466   3.4588   7.7111   3.5757 -0.6450510E-01 4.974822 
1 1 1   22   30    0 o   32.510   0.8357  1030.94   52.602  1012.49   71.589  1052.60   77.549   32.200   1.1453   32.819   1.2173 -0.6187744 1.671350 
1 1 1   22   30    1 o   20.096   1.2473  394.963   48.428  346.766   65.626  452.594   71.761   18.753   1.8027   21.439   1.7243 -2.685635 2.494614 
1 1 1   22   30    2 o   13.742   1.7597  199.633   44.592  251.302   60.984  140.262   65.371   15.932   1.9718   11.553   2.9150 4.379626 3.519325 
1 1 1   22   30    3 o   22.602   1.1600  507.404   50.119  530.820   66.341  476.269   76.497   23.247   1.4701   21.957   1.7948 1.290504 2.320007 
1 1 1   22   30    4 o   40.427   0.8002  1592.49   62.344  1550.57   82.827  1647.30   94.695   39.832   1.0712   41.023   1.1892 -1.190872 1.600488 
1 1 1   22   30    5 o   63.179   0.7463  3901.38   91.499  4028.55  129.790  3775.74  129.011   64.209   1.0413   62.150   1.0694 2.058674 1.492602 
1 1 1   22   30    6 o   59.547   0.7596  3466.53   87.687  3459.50  120.823  3474.35  127.459   59.495   1.0462   59.600   1.1017 -0.1050034 1.519285 
1 1 1   22   30    7 o   37.626   0.8712  1392.19   63.388  1530.70   89.628  1253.58   89.660   39.523   1.1682   35.729   1.2928 3.794319 1.742406 
1 1 1   22   30    8 o   23.959   1.2340  571.090   57.086  577.629   77.164  563.185   84.846   24.141   1.6466   23.777   1.8383 0.3644066 2.467941 
1 1 1   22   30    9 o   50.831   0.7944  2531.99   78.186  2496.05  106.521  2573.96  115.124   50.457   1.0875   51.204   1.1582 -0.7470016 1.588793 
1 1 1   22   30   10 o   27.867   1.1822  773.335   63.931  772.361   89.236  774.362   91.636   27.858   1.6501   27.876   1.6934 -0.1774788E-01 2.364445 
1 1 1   22   30   11 o   13.723   2.8722  204.234   80.716  149.468  100.967  301.210  134.356   11.563   3.8462   15.883   4.2668 -4.320016 5.744487 
1 1 1   22   30   12 o   14.225   2.8210  237.863   80.923  202.979  107.856  282.793  122.404   13.090   3.9299   15.359   4.0482 -2.269865 5.642012 
1 1 1   22   31    0 f   22.763   1.0284  508.817   44.928  511.950   59.360  504.614   68.742   22.863   1.3375   22.662   1.5627 0.2014732 2.056878 
1 1 1   22   31    1 o   5.8651   1.8701 -29.3358   45.184 -13.7538   60.005 -49.7416   68.668   5.9975   2.6439   5.7327   2.6456 0.2647729 3.740224 
1 1 1   22   31    2 f   10.903   2.0873  120.717   47.673   67.315   65.177  182.156   69.910   8.6263   3.0800   13.179   2.8181 -4.552429 4.174689 
1 1 1   22   31    3 o   14.596   1.8585  225.572   49.996  258.777   66.309  181.827   76.109   16.111   2.1203   13.081   3.0530 3.029838 3.716994 
1 1 1   22   31    4 o   10.971   2.1428  125.321   48.331   87.608   66.630  167.196   70.210   9.3835   3.1246   12.559   2.9331 -3.175146 4.285601 
1 1 1   22   31    5 o   39.031   0.8570  1491.22   64.432  1483.47   85.880  1501.21   97.453   38.936   1.1362   39.125   1.2831 -0.1885338 1.713923 
1 1 1   22   31    6 o   41.654   0.8008  1698.86   64.750  1709.50   91.777  1688.33   91.364   41.784   1.1315   41.524   1.1335 0.2602081 1.601571 
1 1 1   22   31    7 o   32.507   0.9625  1045.22   59.630  1069.00   77.820  1011.40   92.803   33.003   1.2147   32.011   1.4935 0.9920006 1.925097 
1 1 1   22   31    8 o   32.063   0.9628  1013.73   59.761  1021.35   81.745  1004.99   87.585   32.211   1.3073   31.914   1.4138 0.2968578 1.925584 
1 1 1   22   31    9 o   25.278   1.2848  642.668   62.129  665.933   82.185  611.641   94.912   25.884   1.6356   24.671   1.9818 1.212814 2.569602 
1 1 1   22   31   10 o   35.968   1.0662  1282.42   73.666  1292.78  112.743  1274.69   97.310   36.039   1.6116   35.897   1.3965 0.1415443 2.132460 
1 1 1   22   31   11 o   34.534   1.3215  1202.75   87.812  1206.25  116.929  1198.22  132.986   34.679   1.7369   34.389   1.9921 0.2903519 2.643019 
1 1 1   22   31   12 o   25.469   1.7695  659.938   85.600  595.939  108.472  765.589  139.369   23.997   2.3286   26.941   2.6649 -2.944065 3.538968 
1 1 1   22   32    0 o   23.648   1.0720  548.682   49.078  536.422   66.698  563.157   72.474   23.370   1.4703   23.927   1.5604 -0.5574341 2.143930 
1 1 1   22   32    1 o   6.8303   2.0586   5.0065   48.027   7.0870   67.019   2.8103   68.859   6.8409   2.9030   6.8198   2.9195 0.2105331E-01 4.117134 
1 1 1   22   32    2 o   7.7722   2.1562   39.922   47.584   30.798   66.635   49.417   67.973   7.4631   3.0018   8.0813   3.0962 -0.6182632 4.312486 
1 1 1   22   32    3 o   29.542   0.9740  855.331   55.730  832.364   75.939  882.139   82.043   29.121   1.3434   29.962   1.4106 -0.8409767 1.947923 
1 1 1   22   32    4 o   28.485   1.0466  801.776   57.458  831.042   77.667  766.393   85.399   29.088   1.3755   27.882   1.5778 1.206259 2.093216 
1 1 1   22   32    5 o   28.741   0.9768  813.164   54.401  866.117   76.791  759.815   77.079   29.694   1.3322   27.787   1.4290 1.906763 1.953663 
1 1 1   22   32    6 o   30.644   1.0268  922.826   60.147  909.387   78.269  942.209   93.997   30.412   1.3258   30.876   1.5683 -0.4645882 2.053614 
1 1 1   22   32    7 o   11.279   2.3247  137.801   54.011  141.354   77.296  134.410   75.502   11.410   3.3015   11.148   3.2737 0.2621222 4.649407 
1 1 1   22   32    8 o   42.844   0.8782  1810.59   72.619  1856.80   98.359  1755.22  107.670   43.480   1.1653   42.207   1.3141 1.273468 1.756415 
1 1 1   22   32    9 o   24.810   1.2620  615.446   60.568  551.048   84.593  683.186   86.760   23.447   1.8586   26.172   1.7077 -2.724930 2.523991 
1 1 1   22   32   10 o   14.052   2.8268  216.537   77.985  176.158   96.067  294.563  133.541   12.420   3.7044   15.684   4.2709 -3.264586 5.653645 
1 1 1   22   32   11 o   27.032   1.5747  741.013   81.247  698.624  104.575  805.563  129.047   26.179   2.0578   27.884   2.3841 -1.704960 3.149358 
1 1 1   22   33    0 o   21.765   1.1280  467.307   47.617  483.567   66.810  450.520   67.883   22.159   1.5532   21.372   1.6363 0.7875195 2.256068 
1 1 1   22   33    1 o   36.196   0.7945  1283.35   55.674  1308.86   76.477  1254.60   81.206   36.591   1.0767   35.801   1.1685 0.7892151 1.588917 
1 1 1   22   33    2 o   5.9333   1.9042 -40.0941   46.855 -61.7625   60.526  -7.6904   74.017   5.0648   2.3851   6.8018   2.9690 -1.737000 3.808372 
1 1 1   22   33    3 o   17.857   1.4340  315.004   49.407  295.392   65.663  340.598   75.011   17.236   1.9626   18.478   2.0912 -1.242077 2.867917 
1 1 1   22   33    4 o   7.1923   2.1504   12.067   51.275   14.158   67.681   9.2494   78.555   7.0234   2.9453   7.3611   3.1339 -0.3376980 4.300700 
1 1 1   22   33    5 o   14.678   2.0194  236.383   55.010  292.882   73.457  164.238   83.007   17.065   2.2175   12.292   3.3756 4.773322 4.038830 
1 1 1   22   33    6 f   6.6836   2.0793 -11.1530   52.409  -0.1112   73.417 -22.6263   74.838   6.8895   2.9825   6.4776   2.8981 0.4118381 4.158609 
1 1 1   22   33    7 o   19.163   1.6379  376.598   60.157  406.139   81.239  340.736   89.510   20.084   2.0837   18.242   2.5277 1.842266 3.275868 
1 1 1   22   33    8 o   12.129   2.3281  161.807   56.234  147.824   77.341  177.491   81.908   11.589   3.2865   12.668   3.2984 -1.078931 4.656262 
1 1 1   22   33    9 o   24.512   1.4359  610.677   67.471  500.596   94.830  723.534   96.019   22.175   2.2030   26.848   1.8424 -4.673014 2.871843 
1 1 1   22   33   10 o   14.794   2.6839  256.077   76.527  260.721   98.383  248.961  121.771   15.180   3.4206   14.408   4.1366 0.7725973 5.367708 
1 1 1   22   33   11 o   15.732   2.7286  291.459   81.760  284.380  106.438  301.648  127.693   15.694   3.5738   15.771   4.1243 -0.7639885E-01 5.457249 
1 1 1   22   34    0 o   6.7221   1.9810  -6.2378   44.571 -46.3810   57.657   53.376   70.262   5.1672   2.3985   8.2769   3.1534 -3.109731 3.961915 
1 1 1   22   34    1 o   13.792   1.7587  189.804   44.830  109.517   58.854  300.769   69.190   10.208   2.8572   17.376   2.0513 -7.167779 3.517329 
1 1 1   22   34    2 o   45.354   0.7284  1998.58   63.934  1860.15   86.405  2166.08   95.045   43.632   1.0202   47.077   1.0401 -3.445297 1.456865 
1 1 1   22   34    3 o   8.5103   2.2761   59.210   51.054   61.074   66.652   56.565   79.417   8.3971   3.0981   8.6234   3.3354 -0.2262697 4.552266 
1 1 1   22   34    4 o   29.277   0.9915  847.958   56.066  925.359   78.251  766.312   80.369   30.682   1.3138   27.872   1.4854 2.809767 1.983075 
1 1 1   22   34    5 o   29.425   1.0338  856.834   58.826  885.963   80.662  823.743   85.976   29.985   1.3858   28.864   1.5345 1.121019 2.067612 
1 1 1   22   34    6 o   17.813   1.6902  320.306   58.157  281.271   78.664  367.360   86.367   16.608   2.4400   19.018   2.3395 -2.409233 3.380376 
1 1 1   22   34    7 o   23.288   1.2794  542.695   57.651  551.320   78.863  532.796   84.491   23.517   1.7275   23.060   1.8875 0.4572830 2.558705 
1 1 1   22   34    8 o   32.145   1.1542  1030.38   71.338  1019.30  108.217  1038.89   94.871   31.934   1.7458   32.357   1.5104 -0.4236107 2.308470 
1 1 1   22   34    9 o   20.346   2.1864  450.245   80.201  459.567  100.749  434.119  132.513   21.080   2.4621   19.612   3.6138 1.468021 4.372806 
1 1 1   22   34   10 o   16.827   2.4572  326.803   77.303  358.161  100.347  281.029  121.237   18.353   2.8167   15.301   4.0270 3.052346 4.914336 
1 1 1   22   35    0 o   30.733   0.8441  926.098   50.209  938.528   68.680  911.828   73.588   30.967   1.1425   30.500   1.2429 0.4668884 1.688262 
1 1 1   22   35    1 o   21.170   1.2307  443.488   50.300  440.702   67.627  446.939   75.254   21.117   1.6497   21.223   1.8266 -0.1061039 2.461340 
1 1 1   22   35    2 o   7.6923   2.1751   35.157   49.535   49.212   68.282   19.543   71.968   8.0493   3.0985   7.3354   3.0535 0.7139339 4.350244 
1 1 1   22   35    3 o   29.023   1.0107  830.337   56.905  837.112   79.218  823.113   81.795   29.155   1.3997   28.892   1.4584 0.2626915 2.021458 
1 1 1   22   35    4 f   22.929   1.3316  529.236   58.697  574.409   80.165  477.031   86.181   24.046   1.7174   21.812   2.0354 2.233974 2.663138 
1 1 1   22   35    5 o   33.066   0.9483  1076.74   60.840  1056.60   84.541  1098.38   87.623   32.750   1.3298   33.383   1.3522 -0.6328926 1.896526 
1 1 1   22   35    6 o   25.009   1.1579  621.261   55.834  618.013   74.704  625.372   84.041   24.969   1.5413   25.049   1.7283 -0.8087921E-01 2.315758 
1 1 1   22   35    7 o   12.163   2.3874  162.339   59.702  117.349   82.156  212.685   86.908   10.468   3.4689   13.859   3.2812 -3.391108 4.774889 
1 1 1   22   35    8 o   12.433   2.7926  175.067   73.714  167.823   92.011  188.049  123.171   12.157   3.6252   12.710   4.2487 -0.5526028 5.585148 
1 1 1   22   35    9 o   13.783   2.5878  205.941   73.996  114.085   96.284  338.466  115.650   10.360   3.7385   17.206   3.5792 -6.846192 5.175605 
1 1 1   22   36    0 o   16.189   1.5246  260.555   47.713  233.854   64.368  293.116   71.081   15.272   2.1713   17.105   2.1407 -1.833532 3.049134 
1 1 1   22   36    1 o   20.669   1.2508  423.641   49.996  418.486   67.672  429.836   74.187   20.549   1.6965   20.789   1.8384 -0.2395077 2.501510 
1 1 1   22   36    2 o   35.870   0.8249  1271.00   56.990  1366.75   77.959  1161.10   83.521   37.360   1.0750   34.381   1.2514 2.978905 1.649748 
1 1 1   22   36    3 o   36.751   0.8653  1325.54   61.377  1315.32   82.369  1338.29   92.033   36.614   1.1589   36.887   1.2853 -0.2726250 1.730618 
1 1 1   22   36    4 o   52.566   0.7714  2707.49   78.658  2666.70  108.923  2751.93  113.711   52.160   1.0758   52.973   1.1058 -0.8123207 1.542761 
1 1 1   22   36    5 o   8.2337   2.3270   46.253   56.048   54.814   73.469   34.334   86.690   8.3043   3.2092   8.1631   3.3707 0.1412086 4.654099 
1 1 1   22   36    6 o   16.221   1.8963  278.224   57.611  294.320   77.550  258.400   86.062   16.971   2.3540   15.471   2.9736 1.499824 3.792591 
1 1 1   22   36    7 o   20.712   2.1011  498.762   73.832  640.198   96.703  301.094  114.321   25.180   1.9784   16.244   3.7073 8.935944 4.202162 
1 1 1   22   36    8 o   16.812   2.4185  322.161   76.960  379.945  104.850  254.664  113.320   18.928   2.8537   14.697   3.9054 4.230787 4.836935 
1 1 1   22   36    9 o   15.256   2.7424  273.278   79.429  264.525   99.927  288.299  130.904   15.195   3.4647   15.318   4.2519 -0.1232100 5.484818 
1 1 1   22   37    0 o   5.9841   1.8942 -21.4982   44.982 -25.4920   60.335 -16.5006   67.494   5.7053   2.5732   6.2630   2.7803 -0.5576997 3.788306 
1 1 1   22   37    1 o   19.112   1.3596  357.203   49.905  305.695   65.318  429.440   77.352   17.492   1.9237   20.733   1.9220 -3.240726 2.719293 
1 1 1   22   37    2 f   19.473   1.3658  380.462   51.386  392.155   70.082  366.867   75.570   19.830   1.8206   19.116   2.0365 0.7140350 2.731601 
1 1 1   22   37    3 o   25.343   1.1529  635.740   56.619  605.579   77.312  670.626   83.149   24.703   1.6122   25.983   1.6486 -1.279881 2.305878 
1 1 1   22   37    4 o   28.062   1.1181  784.285   60.524  809.206   81.965  754.404   89.751   28.594   1.4767   27.531   1.6794 1.063171 2.236292 
1 1 1   22   37    5 o   19.832   1.4986  398.748   56.715  495.314   82.159  310.843   78.388   22.209   1.9057   17.456   2.3134 4.753025 2.997246 
1 1 1   22   37    6 o   31.327   1.3178  980.203   79.585  936.265  105.592  1037.99  121.094   30.567   1.7795   32.088   1.9441 -1.520426 2.635591 
1 1 1   22   37    7 o   10.943   2.3292  106.831   75.359  258.398   96.238 -133.4138  121.164   15.154   3.3597   6.7308   3.2270 8.423491 4.658435 
1 1 1   22   37    8 o   11.548   2.8890  143.298   78.433  113.264   97.788  197.467  131.327   10.324   3.7611   12.772   4.3862 -2.448050 5.777947 
1 1 1   22   38    0 o   10.577   2.1807  118.648   48.023   94.233   66.042  146.043   69.956   9.5412   3.1076   11.613   3.0602 -2.071827 4.361465 
1 1 1   22   38    1 o   27.165   0.9962  725.745   52.434  684.373   71.577  773.658   77.028   26.335   1.4002   27.994   1.4175 -1.659475 1.992410 
1 1 1   22   38    2 o   22.743   1.2459  515.130   54.968  497.582   76.052  534.324   79.537   22.341   1.7537   23.145   1.7703 -0.8043003 2.491855 
1 1 1   22   38    3 o   15.682   1.9320  262.195   56.514  291.331   76.514  227.222   83.831   16.909   2.3311   14.456   3.0816 2.452866 3.863948 
1 1 1   22   38    4 o   19.035   1.6177  370.982   59.422  389.500   81.239  349.674   87.143   19.607   2.1345   18.462   2.4315 1.144606 3.235480 
1 1 1   22   38    5 o   12.985   2.7012  187.522   72.164  152.059   93.707  239.204  113.122   11.639   3.6933   14.330   3.9429 -2.690223 5.402461 
1 1 1   22   38    6 o   19.096   2.0692  372.377   74.959  317.674   94.521  465.083  123.049   17.348   2.8069   20.845   3.0410 -3.497194 4.138357 
1 1 1   22   38    7 o   33.217   1.4054  1136.07   88.832  1213.17  117.484  1033.15  135.738   34.725   1.7429   31.710   2.2051 3.014349 2.810761 
1 1 1   22   39    0 o   26.806   0.9800  709.691   50.912  716.811   70.220  701.800   73.923   26.962   1.3417   26.651   1.4289 0.3118134 1.960068 
1 1 1   22   39    1 o   18.918   1.4779  369.153   52.800  446.360   72.934  284.130   76.537   21.144   1.7769   16.693   2.3620 4.451767 2.955772 
1 1 1   22   39    2 o   30.062   0.9860  893.116   57.534  893.170   81.723  893.064   81.013   30.060   1.4005   30.063   1.3882 -0.2965927E-02 1.971947 
1 1 1   22   39    3 o   10.937   2.4407  130.766   58.367  111.276   82.713  150.097   82.375   10.255   3.4814   11.619   3.4216 -1.363638 4.881386 
1 1 1   22   39    4 o   9.2888   2.5949   59.687   68.525   24.690   87.305  115.840  110.590   7.8954   3.3298   10.682   3.9808 -2.786963 5.189816 
1 1 1   22   39    5 o   14.448   2.5961  233.630   71.441  205.300   90.642  280.090  116.077   13.429   3.4567   15.467   3.8744 -2.038025 5.192291 
1 1 1   22   39    6 o   12.645   2.6185  157.428   74.817   55.253   95.364  320.992  120.659   8.7596   3.5667   16.529   3.8346 -7.769881 5.236931 
1 1 1   22   40    0 o   8.2093   2.2055   51.951   49.387   24.974   67.117   83.804   72.932   7.2085   2.9701   9.2101   3.2613 -2.001563 4.411080 
1 1 1   22   40    1 o   19.271   1.3833  373.211   51.580  334.081   71.486  415.706   74.497   18.194   2.0240   20.347   1.8861 -2.152645 2.766624 
1 1 1   22   40    2 o   35.571   0.9577  1255.91   65.474  1211.86   98.812  1290.39   87.419   34.963   1.4559   36.180   1.2447 -1.217255 1.915479 
1 1 1   22   40    3 o   14.117   2.4778  228.784   68.654  276.700   95.153  176.754   99.152   15.824   3.2076   12.410   3.7775 3.413855 4.955600 
1 1 1   22   40    4 o   17.009   2.2884  319.837   72.682  294.974   99.266  348.570  106.713   16.270   3.2567   17.748   3.2158 -1.478157 4.576820 
1 1 1   22   40    5 o   15.975   2.4277  297.073   73.846  348.455   97.810  228.961  112.615   18.121   2.7806   13.828   3.9803 4.293036 4.855371 
1 1 1   22   41    0 o   7.4149   1.9984  -9.5413   52.700 -154.3197   78.781  107.718   70.899   4.8165   2.3728   10.013   3.2163 -5.196648 3.996791 
1 1 1   22   41    1 o   49.376   0.9516  2416.52   90.962  2501.13  125.568  2323.10  131.948   50.327   1.2853   48.424   1.4037 1.903889 1.903279 
1 1 1   22   41    2 o   23.152   1.4164  544.917   63.244  560.540   85.597  526.134   93.854   23.581   1.8699   22.722   2.1279 0.8592625 2.832731 
1 1 1   22   41    3 o   29.155   1.3501  856.119   75.933  733.521  103.971  996.253  111.159   26.874   1.9930   31.435   1.8217 -4.560188 2.700108 
1 1 1   22   41    4 o   26.787   1.5056  714.109   77.123  581.976  100.306  905.167  120.617   23.815   2.1698   29.760   2.0879 -5.945065 3.011205 
1 1 1   22   42    0 o   16.125   1.9899  273.710   60.426  226.817   80.602  333.883   91.304   14.379   2.9853   17.871   2.6319 -3.491763 3.979845 
1 1 1   22   42    1 o   36.071   1.0668  1296.86   74.475  1306.72  101.727  1285.48  109.330   36.257   1.4454   35.885   1.5695 0.3716316 2.133660 
1 1 1   22   42    2 o   26.555   1.3030  711.149   66.819  619.066   92.473  811.755   96.658   24.709   1.9279   28.400   1.7533 -3.690569 2.605959 
1 1 1   22   42    3 o   24.105   1.5921  601.403   74.126  649.369  103.162  550.205  106.582   25.189   2.1098   23.021   2.3850 2.167551 3.184267 
1 1 1   22   43    0 o   15.482   2.0411  261.125   59.540  277.431   80.754  241.702   88.133   16.277   2.5559   14.687   3.1831 1.589480 4.082255 
1 1 1   22   43    1 o   7.8507   2.2985  -4.3452   63.480 -91.9652   85.939  100.868   94.172   5.7834   2.7578   9.9180   3.6779 -4.134562 4.596965 
1 1 1   23    0    0 o   43.474   1.0547  1844.20   88.715  1935.04  126.517  1756.33  124.434   44.535   1.4671   42.414   1.5157 -0.000000 0.000000 
1 1 1   23    0    1 o   11.632   3.2262  183.137   69.799  187.833   93.792  177.308  104.495   11.980   4.3756   11.284   4.7420 -0.000000 0.000000 
1 1 1   23    0    2 o   50.253   0.9903  2467.67   96.079  2541.31  131.580  2383.56  140.624   51.071   1.3293   49.436   1.4683 -0.000000 0.000000 
1 1 1   23    0    3 o   35.154   1.1815  1217.53   79.675  1282.48  108.641  1141.95  117.199   36.203   1.5524   34.104   1.7814 -0.000000 0.000000 
1 1 1   23    0    4 o   10.243   3.3039  150.807   71.023  151.655   93.274  149.636  109.565   10.364   4.4913   10.121   4.8467 -0.000000 0.000000 
1 1 1   23    0    5 o   64.209   1.0399  4026.91  129.142  4158.39  178.441  3882.31  187.137   65.325   1.4087   63.093   1.5300 -0.000000 0.000000 
1 1 1   23    0    6 o   6.1467   2.6660   10.031   69.364   76.249   87.802 -99.9128  113.137   7.4452   4.1292   4.8482   3.3735 -0.000000 0.000000 
1 1 1   23    0    7 o   47.356   1.0654  2197.96   97.184  2266.45  132.070  2117.09  143.522   48.184   1.4148   46.528   1.5933 -0.000000 0.000000 
1 1 1   23    0    8 o   5.5520   2.5718 -14.2937   70.226   19.282   88.732 -70.5848  114.891   5.8907   3.7032   5.2132   3.5699 -0.000000 0.000000 
1 1 1   23    0    9 o   31.048   1.4027  982.258   80.291  1076.56  103.611  840.513  127.030   33.093   1.6218   29.002   2.2892 -0.000000 0.000000 
1 1 1   23    0   10 o   79.919   1.1531  6256.67  178.239  6366.04  244.623  6132.90  260.236   80.691   1.5631   79.147   1.6956 -0.000000 0.000000 
1 1 1   23    0   11 o   46.295   1.1329  2109.19   99.966  2136.81  130.952  2070.61  154.757   46.708   1.4475   45.882   1.7433 -0.000000 0.000000 
1 1 1   23    0   12 o   10.609   3.3555  139.460   79.015   66.759   98.559  270.254  132.197   7.2062   4.2158   14.012   5.2215 -0.000000 0.000000 
1 1 1   23    0   13 o   28.819   1.5431  808.699   80.537  760.759   97.808  909.652  141.932   27.648   1.8411   29.990   2.4769 -0.000000 0.000000 
1 1 1   23    0   14 o   8.8064   3.2777   84.391   72.047   34.436   85.222  209.542  134.890   6.0459   3.7242   11.567   5.3949 -0.000000 0.000000 
1 1 1   23    0   15 o   8.5457   3.0712  108.127   78.519  172.967   95.491 -27.2317  137.968   10.887   4.5293   6.2048   4.1491 -0.000000 0.000000 
1 1 1   23    0   16 o   12.795   3.6007  222.618   83.899  175.394  102.925  316.137  144.840   10.720   4.7192   14.870   5.4396 -0.000000 0.000000 
1 1 1   23    1    0 o   32.142   0.8438  1003.74   52.598  1040.36   76.480  970.873   72.452   32.696   1.2050   31.587   1.1816 1.109209 1.687661 
1 1 1   23    1    1 o   56.691   0.7107  3125.28   78.204  3050.48  110.096  3201.45  111.105   56.005   1.0127   57.376   0.9976 -1.370918 1.421496 
1 1 1   23    1    2 o   27.466   1.0002  735.232   53.329  738.981   75.551  731.510   75.285   27.536   1.4134   27.396   1.4157 0.1397133 2.000472 
1 1 1   23    1    3 o   21.137   1.2348  439.275   50.262  463.812   68.175  410.058   74.393   21.798   1.6112   20.476   1.8717 1.322344 2.469611 
1 1 1   23    1    4 o   23.686   1.1312  552.888   51.528  609.096   70.860  489.812   75.064   24.988   1.4609   22.385   1.7275 2.602457 2.262352 
1 1 1   23    1    5 o   9.4919   2.2725   81.277   51.525  114.564   71.870   46.074   73.909   10.661   3.2096   8.3227   3.2181 2.338525 4.545060 
1 1 1   23    1    6 o   54.522   0.7293  2893.61   77.173  2840.49  108.212  2948.60  110.092   54.013   1.0321   55.032   1.0306 -1.018497 1.458511 
1 1 1   23    1    7 o   37.225   0.8148  1351.74   58.784  1257.32   82.859  1447.43   83.410   35.910   1.1886   38.540   1.1149 -2.629894 1.629696 
1 1 1   23    1    8 o   47.148   0.7299  2163.78   66.770  2100.86   92.671  2231.72   96.286   46.436   1.0281   47.859   1.0364 -1.422874 1.459816 
1 1 1   23    1    9 o   48.820   0.7379  2323.81   69.913  2386.71   99.528  2262.54   98.229   49.474   1.0363   48.167   1.0506 1.307220 1.475707 
1 1 1   23    1   10 o   28.697   1.0088  806.099   56.084  784.966   76.516  830.633   82.444   28.299   1.3929   29.096   1.4597 -0.7974834 2.017641 
1 1 1   23    1   11 o   19.247   1.4329  369.359   53.388  387.183   74.102  350.122   76.984   19.752   1.9327   18.742   2.1160 1.010035 2.865804 
1 1 1   23    1   12 o   35.335   0.8644  1226.22   58.923  1194.44   87.729  1252.34   79.533   34.897   1.2951   35.773   1.1453 -0.8764648 1.728865 
1 1 1   23    1   13 o   10.340   2.2105  113.649   51.837   51.363   79.519  159.679   68.359   8.4563   3.3188   12.223   2.9209 -3.766725 4.421074 
1 1 1   23    1   14 o   18.257   1.5835  341.821   55.051  272.860   78.796  407.578   76.944   16.347   2.4831   20.166   1.9656 -3.819078 3.166932 
1 1 1   23    1   15 o   18.020   1.6512  332.111   57.541  322.532   84.288  340.471   78.745   17.732   2.4488   18.308   2.2158 -0.5760002 3.302451 
1 1 1   23    1   16 o   9.3952   2.1143   71.578   56.405 -63.1918   85.116  177.105   75.317   6.1657   2.8793   12.625   3.0968 -6.458983 4.228538 
1 1 1   23    2    0 o   36.254   0.8136  1277.77   57.227  1220.97   79.779  1337.96   82.135   35.424   1.1602   37.084   1.1410 -1.659760 1.627228 
1 1 1   23    2    1 o   53.228   0.7071  2755.38   73.060  2725.40  103.293  2785.39  103.353   52.938   1.0052   53.518   0.9948 -0.5805054 1.414247 
1 1 1   23    2    2 o   9.2768   2.2534   78.212   48.943   79.763   71.707   76.859   66.968   9.3878   3.2401   9.1658   3.1325 0.2220135 4.506751 
1 1 1   23    2    3 o   72.231   0.7572  5076.86  106.171  5029.99  150.306  5123.53  149.992   71.897   1.0770   72.565   1.0648 -0.6675034 1.514494 
1 1 1   23    2    4 o   26.296   1.0401  674.227   53.070  686.455   76.405  662.828   73.768   26.525   1.4839   26.067   1.4579 0.4580975 2.080234 
1 1 1   23    2    5 o   48.043   0.7342  2247.39   68.442  2210.63   97.630  2282.91   95.973   47.654   1.0554   48.432   1.0208 -0.7773972 1.468328 
1 1 1   23    2    6 o   24.708   1.1388  597.177   54.590  621.703   77.432  572.941   76.973   25.216   1.5819   24.200   1.6385 1.015535 2.277549 
1 1 1   23    2    7 o   83.998   0.8267  6877.03  134.780  6804.87  188.690  6952.20  192.586   83.550   1.1634   84.446   1.1748 -0.8959808 1.653427 
1 1 1   23    2    8 o   43.094   0.7585  1810.22   63.287  1806.06   92.838  1813.84   86.500   43.041   1.1112   43.147   1.0328 -0.1056290 1.517002 
1 1 1   23    2    9 o   32.990   0.8887  1064.50   56.837  1085.42   78.892  1041.93   81.954   33.333   1.2192   32.646   1.2932 0.6877022 1.777359 
1 1 1   23    2   10 o   27.641   1.0301  749.608   55.234  749.532   76.684  749.689   79.623   27.645   1.4290   27.636   1.4842 0.8386612E-02 2.060294 
1 1 1   23    2   11 o   23.573   1.1714  548.955   53.528  530.502   76.840  566.351   74.608   23.175   1.7080   23.970   1.6034 -0.7949524 2.342706 
1 1 1   23    2   12 o   19.006   1.4077  363.846   50.529  381.347   65.379  337.888   79.625   19.640   1.7148   18.371   2.2328 1.268993 2.815306 
1 1 1   23    2   13 o   32.518   0.9599  1033.57   60.364  922.812   82.006  1164.55   89.180   30.621   1.3796   34.414   1.3350 -3.792795 1.919742 
1 1 1   23    2   14 o   11.269   2.1365  142.598   51.791  200.289   68.218   64.106   79.572   13.765   2.6493   8.7735   3.3527 4.991121 4.273067 
1 1 1   23    2   15 o   24.970   1.1808  628.990   56.345  680.354   75.514  564.477   84.630   26.202   1.4846   23.738   1.8366 2.464464 2.361624 
1 1 1   23    2   16 o   8.2807   2.2734   33.543   57.070 -32.1340   77.180  112.774   84.771   6.3173   2.8735   10.244   3.5236 -3.926780 4.546739 
1 1 1   23    3    0 o   69.109   0.7302  4644.78   97.964  4650.91  138.819  4638.69  138.266   69.154   1.0341   69.064   1.0313 0.9047699E-01 1.460483 
1 1 1   23    3    1 o   94.825   0.8852  8754.54  162.948  8768.23  230.811  8740.94  230.078   94.899   1.2529   94.752   1.2509 0.1473236 1.770480 
1 1 1   23    3    2 o   64.375   0.7178  4031.46   89.687  4057.50  125.807  4004.55  127.891   64.588   1.0034   64.162   1.0268 0.4260406 1.435696 
1 1 1   23    3    3 o   41.599   0.7551  1678.49   60.827  1612.19   82.604  1757.02   89.904   40.707   1.0454   42.491   1.0900 -1.784626 1.510251 
1 1 1   23    3    4 f   39.000   0.7922  1481.04   59.952  1495.50   83.909  1465.95   85.690   39.196   1.1028   38.803   1.1376 0.3927879 1.584416 
1 1 1   23    3    5 o   5.9827   1.9275 -49.4584   49.856 -77.6884   68.212 -17.0822   73.050   5.3058   2.5087   6.6595   2.9271 -1.353714 3.855099 
1 1 1   23    3    6 o   42.448   0.7508  1753.84   61.846  1820.44   88.487  1690.24   86.473   43.237   1.0543   41.660   1.0693 1.576862 1.501646 
1 1 1   23    3    7 o   34.511   0.8924  1162.42   59.558  1296.54   85.271  1034.67   83.222   36.463   1.2047   32.559   1.3168 3.904606 1.784715 
1 1 1   23    3    8 o   49.544   0.7397  2394.27   71.049  2451.14   98.803  2333.38  102.241   50.160   1.0147   48.928   1.0765 1.231213 1.479344 
1 1 1   23    3    9 o   26.778   1.0426  703.292   54.101  715.638   74.736  689.701   78.418   27.033   1.4242   26.522   1.5231 0.5112648 2.085239 
1 1 1   23    3   10 o   43.782   0.7580  1871.44   64.419  1860.51   90.744  1882.54   91.464   43.653   1.0709   43.910   1.0731 -0.2571640 1.515979 
1 1 1   23    3   11 o   26.836   1.0631  711.641   54.968  737.655   74.217  680.032   81.810   27.407   1.3950   26.265   1.6046 1.141771 2.126228 
1 1 1   23    3   12 o   8.1408   2.2207   33.179   53.713 -24.0435   74.846   93.948   77.130   6.4970   2.9031   9.7846   3.3613 -3.287624 4.441443 
1 1 1   23    3   13 o   20.423   1.3766  417.580   54.310  398.269   79.621  434.384   74.270   19.947   2.0562   20.898   1.8308 -0.9505215 2.753185 
1 1 1   23    3   14 o   12.826   2.1203  173.187   51.729  220.848   79.783  138.619   67.947   14.337   2.9647   11.315   3.0321 3.021724 4.240645 
1 1 1   23    3   15 o   9.0326   2.2483   78.891   51.085   39.009   76.955  110.312   68.306   7.9372   3.2142   10.128   3.1446 -2.190797 4.496603 
1 1 1   23    3   16 o   8.5111   2.3346   60.498   54.749   66.455   83.224   55.954   72.694   8.7970   3.4111   8.2252   3.1884 0.5718708 4.669247 
1 1 1   23    4    0 o   18.551   1.4138  336.393   50.554  285.414   70.047  391.813   73.034   17.076   2.1131   20.025   1.8788 -2.948904 2.827579 
1 1 1   23    4    1 o   26.041   1.0559  662.251   53.275  701.397   74.826  622.005   75.869   26.827   1.4369   25.254   1.5476 1.572187 2.111803 
1 1 1   23    4    2 o   42.831   0.7491  1783.98   62.267  1817.01   89.343  1752.79   86.828   43.216   1.0650   42.446   1.0538 0.7694130 1.498246 
1 1 1   23    4    3 o   90.969   0.8671  8059.19  153.118  8024.01  216.634  8094.31  216.450   90.770   1.2295   91.169   1.2231 -0.3983383 1.734206 
1 1 1   23    4    4 o   32.089   0.8839  1005.30   54.941  1055.12   76.620  952.571   78.823   32.914   1.1992   31.264   1.2988 1.649803 1.767788 
1 1 1   23    4    5 o   46.386   0.7445  2095.69   67.004  2162.60   94.420  2027.81   95.100   47.135   1.0319   45.637   1.0735 1.497936 1.489041 
1 1 1   23    4    6 o   33.080   0.9071  1068.28   58.173  1089.98   80.778  1044.90   83.846   33.434   1.2446   32.725   1.3199 0.7080727 1.814167 
1 1 1   23    4    7 o   47.367   0.7487  2185.64   68.842  2180.15   97.309  2191.15   97.405   47.307   1.0596   47.427   1.0580 -0.1194992 1.497409 
1 1 1   23    4    8 o   59.930   0.7290  3500.26   84.743  3516.91  117.630  3482.30  122.190   60.083   1.0086   59.777   1.0530 0.3063889 1.458096 
1 1 1   23    4    9 o   25.209   1.0490  622.935   51.309  647.084   72.785  599.080   72.342   25.699   1.4590   24.719   1.5076 0.9794445 2.097994 
1 1 1   23    4   10 o   49.879   0.7560  2434.05   73.040  2538.47  101.555  2322.15  105.126   51.001   1.0258   48.757   1.1107 2.244411 1.511935 
1 1 1   23    4   11 o   21.378   1.2645  452.796   52.310  459.740   71.552  444.823   76.669   21.572   1.7087   21.184   1.8644 0.3882465 2.528978 
1 1 1   23    4   12 o   11.431   2.1024  140.321   48.854   90.155   70.764  186.007   67.531   9.5412   3.2202   13.321   2.7039 -3.780157 4.204860 
1 1 1   23    4   13 o   11.799   2.0344  141.122   53.833   36.912   75.257  250.318   77.037   7.9084   3.1869   15.689   2.5294 -7.781081 4.068707 
1 1 1   23    4   14 o   28.004   1.0992  777.377   59.573  703.318   83.563  853.920   84.953   26.623   1.6169   29.384   1.4894 -2.760973 2.198328 
1 1 1   23    4   15 o   20.746   1.4504  435.787   58.090  488.458   82.410  383.772   81.896   22.043   1.9259   19.449   2.1692 2.594278 2.900785 
1 1 1   23    4   16 o   7.2120   2.2136   5.0260   57.499   3.6030   81.092   6.4648   81.542   7.1727   3.1198   7.2514   3.1412 -0.7874203E-01 4.427154 
1 1 1   23    5    0 o   25.173   1.0654  619.313   51.717  709.215   73.786  532.497   72.509   26.980   1.4089   23.366   1.5986 3.614553 2.130835 
1 1 1   23    5    1 o   43.774   0.7323  1868.59   62.071  1757.29   89.081  1973.63   86.537   42.500   1.0798   45.049   0.9896 -2.548679 1.464637 
1 1 1   23    5    2 o   41.253   0.7517  1650.18   60.054  1734.34   88.715  1578.99   81.591   42.219   1.0825   40.287   1.0433 1.931538 1.503412 
1 1 1   23    5    3 o   61.920   0.7306  3729.32   87.752  3754.40  126.767  3706.25  121.594   62.117   1.0513   61.722   1.0149 0.3942871 1.461227 
1 1 1   23    5    4 o   24.773   1.0854  599.121   52.086  599.394   76.191  598.881   71.367   24.774   1.5843   24.773   1.4841 0.1277924E-02 2.170841 
1 1 1   23    5    5 o   21.323   1.2283  447.069   50.418  426.359   75.315  463.887   67.869   20.860   1.8599   21.785   1.6049 -0.9248466 2.456617 
1 1 1   23    5    6 o   34.465   0.8649  1158.52   57.653  1162.92   78.348  1153.32   85.140   34.543   1.1684   34.386   1.2755 0.1563797 1.729790 
1 1 1   23    5    7 o   72.380   0.7708  5104.61  108.220  5100.65  150.207  5108.88  156.052   72.356   1.0694   72.404   1.1103 -0.4775238E-01 1.541565 
1 1 1   23    5    8 o   34.222   0.8493  1144.14   56.349  1099.98   80.560  1186.44   78.847   33.569   1.2363   34.875   1.1647 -1.305504 1.698502 
1 1 1   23    5    9 o   9.0388   2.2071   66.100   46.556   38.646   58.111  115.302   77.795   7.4268   2.8586   10.651   3.3636 -3.224058 4.414202 
1 1 1   23    5   10 o   26.837   1.0426  707.596   54.252  668.643   76.721  746.555   76.726   26.089   1.5149   27.585   1.4329 -1.495556 2.085213 
1 1 1   23    5   11 o   21.297   1.2691  449.618   52.114  517.154   74.663  385.460   72.773   22.885   1.6807   19.710   1.9020 3.174789 2.538219 
1 1 1   23    5   12 o   11.223   2.2749  134.132   52.036  137.563   70.225  129.955   77.489   11.366   3.0980   11.081   3.3320 0.2856321 4.549729 
1 1 1   23    5   13 o   30.657   0.9591  918.450   56.356  886.179   73.503  964.481   87.786   30.037   1.2606   31.278   1.4459 -1.240580 1.918243 
1 1 1   23    5   14 o   14.888   1.8738  231.959   51.940  234.714   67.714  228.020   80.956   15.210   2.2934   14.567   2.9639 0.6434708 3.747559 
1 1 1   23    5   15 o   20.256   1.3886  407.547   54.206  351.728   72.245  479.452   81.996   18.680   1.9924   21.832   1.9348 -3.152592 2.777190 
1 1 1   23    5   16 o   19.393   1.5747  389.769   58.428  450.811   81.407  324.919   83.908   21.081   1.9893   17.705   2.4415 3.376474 3.149339 
1 1 1   23    6    0 o   24.018   1.0486  558.979   48.738  507.309   66.198  620.140   72.021   22.812   1.4949   25.224   1.4709 -2.411354 2.097206 
1 1 1   23    6    1 o   59.726   0.7209  3465.43   83.530  3625.41  120.482  3317.36  115.909   61.052   1.0166   58.400   1.0224 2.652077 1.441846 
1 1 1   23    6    2 o   49.647   0.7205  2397.58   69.435  2405.70   98.793  2389.66   97.610   49.729   1.0234   49.564   1.0145 0.1650734 1.441043 
1 1 1   23    6    3 o   49.482   0.7367  2382.89   70.739  2441.21   99.901  2324.24  100.180   50.091   1.0274   48.873   1.0560 1.218010 1.473309 
1 1 1   23    6    4 o   47.967   0.7389  2241.26   68.744  2313.60   96.325  2166.16   98.138   48.760   1.0177   47.174   1.0717 1.585957 1.477896 
1 1 1   23    6    5 o   42.169   0.7703  1729.83   62.863  1709.91   85.380  1753.42   92.899   41.909   1.0495   42.428   1.1279 -0.5198212 1.540690 
1 1 1   23    6    6 o   68.021   0.7441  4506.29   98.246  4543.58  138.561  4468.59  139.324   68.305   1.0450   67.736   1.0596 0.5692139 1.488217 
1 1 1   23    6    7 o   35.249   0.8660  1213.30   59.096  1230.65   80.984  1193.52   86.430   35.526   1.1743   34.972   1.2731 0.5540848 1.732018 
1 1 1   23    6    8 o   55.826   0.7367  3031.30   79.545  2969.15  107.521  3106.46  118.225   55.203   1.0034   56.449   1.0789 -1.245171 1.473377 
1 1 1   23    6    9 o   48.586   0.7513  2302.32   70.803  2282.85   98.015  2323.57  102.391   48.376   1.0437   48.797   1.0810 -0.4206123 1.502618 
1 1 1   23    6   10 o   30.677   0.9148  922.248   54.113  927.184   72.588  916.073   81.187   30.786   1.2146   30.569   1.3682 0.2173138 1.829565 
1 1 1   23    6   11 o   33.543   0.9044  1101.98   58.782  1084.66   80.485  1121.79   86.054   33.270   1.2462   33.817   1.3109 -0.5475807 1.808751 
1 1 1   23    6   12 o   40.640   0.8114  1615.00   63.957  1521.98   88.979  1714.43   91.994   39.427   1.1626   41.854   1.1323 -2.427876 1.622879 
1 1 1   23    6   13 o   17.942   1.4949  328.126   51.177  281.223   75.712  367.587   69.445   16.677   2.3387   19.208   1.8625 -2.531010 2.989743 
1 1 1   23    6   14 o   31.761   0.9659  996.470   59.449  937.770   84.586  1053.77   83.570   30.817   1.4140   32.705   1.3164 -1.887659 1.931875 
1 1 1   23    6   15 o   15.714   1.8512  254.754   54.636  314.629   82.666  208.314   72.803   17.504   2.4330   13.924   2.7908 3.579995 3.702430 
1 1 1   23    6   16 o   14.839   2.0341  238.641   55.959  250.068   85.965  230.238   73.717   15.058   3.0456   14.619   2.6970 0.4387970 4.068109 
1 1 1   23    7    0 o   27.467   0.9776  734.778   52.114  721.982   72.834  748.202   74.599   27.222   1.3783   27.711   1.3868 -0.4892578 1.955227 
1 1 1   23    7    1 o   22.333   1.1661  486.829   50.551  484.451   71.387  489.220   71.593   22.278   1.6507   22.387   1.6474 -0.1096611 2.332141 
1 1 1   23    7    2 o   76.930   0.7769  5750.02  115.902  5959.20  168.672  5562.90  159.530   78.251   1.1104   75.609   1.0869 2.642448 1.553858 
1 1 1   23    7    3 o   72.593   0.7587  5128.49  106.878  5134.25  152.979  5123.00  149.381   72.631   1.0850   72.556   1.0606 0.7524109E-01 1.517303 
1 1 1   23    7    4 o   53.098   0.7199  2743.78   74.196  2744.03  105.306  2743.55  104.557   53.100   1.0216   53.097   1.0144 0.3631592E-02 1.439714 
1 1 1   23    7    5 o   44.785   0.7599  1954.34   66.009  2033.01   93.097  1874.81   93.608   45.696   1.0495   43.875   1.0991 1.820461 1.519705 
1 1 1   23    7    6 o   50.096   0.7496  2445.21   72.793  2461.89  100.512  2426.81  105.565   50.281   1.0298   49.911   1.0896 0.3693695 1.499217 
1 1 1   23    7    7 o   63.491   0.7284  3925.24   89.739  3880.74  124.868  3972.78  129.055   63.121   1.0191   63.860   1.0411 -0.7393265 1.456829 
1 1 1   23    7    8 o   28.538   1.0112  794.938   55.617  781.615   74.073  812.157   84.208   28.277   1.3494   28.799   1.5063 -0.5221634 2.022337 
1 1 1   23    7    9 o   9.7531   2.2661   94.059   49.569   94.329   68.342   93.760   72.004   9.7341   3.1609   9.7721   3.2479 -0.3805351E-01 4.532115 
1 1 1   23    7   10 o   36.757   0.8498  1322.34   60.409  1329.46   82.102  1313.93   89.201   36.878   1.1469   36.636   1.2543 0.2417259 1.699602 
1 1 1   23    7   11 o   26.257   0.9904  679.349   50.176  698.037   67.919  656.894   74.449   26.675   1.3117   25.839   1.4843 0.8364983 1.980810 
1 1 1   23    7   12 o   15.149   1.7735  237.971   49.662  305.455   71.124  173.766   69.375   17.488   2.0951   12.809   2.8622 4.679585 3.547054 
1 1 1   23    7   13 o   21.311   1.3281  454.837   54.623  476.459   74.556  429.783   80.254   21.897   1.7540   20.726   1.9948 1.170832 2.656251 
1 1 1   23    7   14 o   23.682   1.2699  560.391   58.218  568.694   79.792  550.940   85.133   23.897   1.7201   23.468   1.8688 0.4295807 2.539890 
1 1 1   23    7   15 o   17.253   1.7282  307.987   57.381  326.988   78.019  285.599   84.688   17.912   2.2438   16.594   2.6292 1.318733 3.456460 
1 1 1   23    7   16 o   22.058   1.4109  494.028   60.376  471.391   84.441  517.705   86.359   21.528   2.0206   22.587   1.9696 -1.058544 2.821737 
1 1 1   23    8    0 o   28.283   0.9139  780.780   50.060  732.291   71.566  827.235   70.049   27.417   1.3447   29.149   1.2380 -1.731401 1.827785 
1 1 1   23    8    1 o   35.330   0.7909  1215.02   54.173  1220.34   74.810  1209.15   78.551   35.414   1.0882   35.246   1.1481 0.1677704 1.581865 
1 1 1   23    8    2 o   41.842   0.7435  1702.43   60.218  1689.78   81.976  1717.24   88.750   41.677   1.0133   42.007   1.0884 -0.3299179 1.487024 
1 1 1   23    8    3 o   54.709   0.9023  2909.66   90.344  2936.54  156.787  2896.29  110.541   54.863   1.4722   54.555   1.0438 0.3072319 1.804689 
1 1 1   23    8    4 o   73.405   0.7705  5245.74  109.747  5234.23  153.159  5257.89  157.338   73.325   1.0760   73.485   1.1030 -0.1599197 1.540921 
1 1 1   23    8    5 o   24.174   1.1048  571.201   51.843  567.876   73.117  574.562   73.520   24.103   1.5627   24.245   1.5622 -0.1415329 2.209608 
1 1 1   23    8    6 o   34.072   0.8738  1131.19   57.560  1120.97   77.840  1143.52   85.503   33.910   1.1825   34.235   1.2866 -0.3255386 1.747503 
1 1 1   23    8    7 o   19.806   1.4084  394.442   52.852  441.374   70.475  334.126   79.895   21.218   1.7111   18.395   2.2374 2.822334 2.816726 
1 1 1   23    8    8 o   47.362   0.7436  2190.27   68.235  2258.46   94.624  2116.39   98.490   48.139   1.0126   46.585   1.0891 1.553757 1.487140 
1 1 1   23    8    9 o   36.601   0.8324  1299.17   58.637  1238.55   77.304  1381.30   89.982   35.615   1.1182   37.587   1.2333 -1.972023 1.664701 
1 1 1   23    8   10 o   14.064   1.8198  202.581   48.405  232.589   69.242  173.901   67.694   15.248   2.3393   12.880   2.7883 2.368135 3.639609 
1 1 1   23    8   11 o   35.686   0.8547  1246.92   59.185  1234.45   82.320  1260.27   85.153   35.505   1.1944   35.867   1.2230 -0.3617134 1.709498 
1 1 1   23    8   12 f   29.862   1.0064  873.418   58.136  833.064   78.389  922.742   86.666   29.108   1.3873   30.615   1.4583 -1.506109 2.012791 
1 1 1   23    8   13 o   23.004   1.2515  525.669   55.440  521.499   73.794  531.072   84.003   22.933   1.6576   23.075   1.8754 -0.1413193 2.502964 
1 1 1   23    8   14 o   20.974   1.3419  436.663   54.343  381.379   73.299  504.138   80.978   19.500   1.9364   22.448   1.8583 -2.948408 2.683818 
1 1 1   23    8   15 o   9.1552   2.2019   62.334   56.108 -35.4568   79.845  157.729   78.861   6.4064   2.9174   11.904   3.2987 -5.497555 4.403716 
1 1 1   23    8   16 o   8.9220   2.4458   39.494   64.318  142.876  102.241 -28.2167   82.742   11.241   3.8695   6.6028   2.9924 4.638495 4.891595 
1 1 1   23    9    0 o   28.869   0.9124  811.380   51.120  789.441   71.560  834.244   73.052   28.470   1.2949   29.267   1.2858 -0.7974415 1.824837 
1 1 1   23    9    1 o   37.120   0.7832  1340.97   56.430  1314.21   79.647  1367.94   79.961   36.748   1.1165   37.493   1.0987 -0.7451668 1.566435 
1 1 1   23    9    2 o   47.837   0.7218  2226.44   67.018  2171.68   94.507  2281.82   95.050   47.245   1.0305   48.430   1.0110 -1.185532 1.443650 
1 1 1   23    9    3 o   62.724   0.7278  3823.62   88.538  4064.29  127.535  3599.72  123.010   64.628   1.0166   60.819   1.0419 3.809654 1.455690 
1 1 1   23    9    4 o   59.805   0.7209  3478.42   83.518  3440.89  114.180  3521.60  122.482   59.463   0.9892   60.146   1.0490 -0.6834641 1.441875 
1 1 1   23    9    5 o   50.142   0.7368  2437.17   71.432  2331.88   96.081  2567.30  106.810   48.941   1.0113   51.343   1.0717 -2.401592 1.473534 
1 1 1   23    9    6 o   42.029   0.7732  1724.26   62.905  1771.49   86.543  1671.35   91.595   42.647   1.0454   41.411   1.1394 1.236637 1.546342 
1 1 1   23    9    7 o   30.681   0.9486  915.130   56.305  869.829   75.925  970.487   83.929   29.846   1.3105   31.516   1.3719 -1.670477 1.897222 
1 1 1   23    9    8 o   32.496   0.9144  1039.86   56.963  1089.27   75.959  976.370   86.109   33.405   1.1714   31.587   1.4043 1.817783 1.828761 
1 1 1   23    9    9 o   10.837   2.2450  122.160   50.369  111.805   70.976  132.667   71.493   10.428   3.2002   11.247   3.1495 -0.8192434 4.490056 
1 1 1   23    9   10 o   6.9242   2.0885   5.0392   49.228   5.1076   65.894   4.9528   74.056   6.7414   2.8702   7.1071   3.0347 -0.3656735 4.176967 
1 1 1   23    9   11 o   8.5115   2.1526   56.419   50.248  108.839   66.631 -12.6988   76.510   10.215   3.0938   6.8078   2.9939 3.407283 4.305233 
1 1 1   23    9   12 o   44.932   0.7769  1974.93   67.728  1948.06   94.082  2003.82   97.577   44.620   1.0862   45.245   1.1110 -0.6256371 1.553762 
1 1 1   23    9   13 o   28.305   1.0050  792.048   55.077  741.081   78.793  840.744   77.017   27.392   1.4818   29.217   1.3580 -1.824278 2.009937 
1 1 1   23    9   14 o   35.748   0.8817  1260.77   61.016  1203.14   88.285  1313.48   84.425   34.942   1.3016   36.555   1.1898 -1.612335 1.763417 
1 1 1   23    9   15 o   28.565   1.1035  811.249   61.017  818.446   89.850  805.089   83.124   28.658   1.6151   28.472   1.5040 0.1854668 2.206926 
1 1 1   23    9   16 o   14.282   2.2954  221.996   60.720  268.377   99.808  194.742   76.507   15.340   3.4370   13.225   3.0434 2.114910 4.590793 
1 1 1   23   10    0 o   27.146   1.3070  717.940   61.058  725.866  117.984  715.040   71.356   27.203   2.2343   27.089   1.3570 0.1136513 2.614092 
1 1 1   23   10    1 o   78.585   0.7801  6007.82  118.975  6128.21  170.307  5893.06  166.278   79.353   1.1056   77.816   1.1008 1.536430 1.560156 
1 1 1   23   10    2 o   15.863   1.7265  255.857   50.283  184.906   70.892  327.691   71.332   13.438   2.8082   18.288   2.0093 -4.850262 3.453026 
1 1 1   23   10    3 o   52.365   0.7051  2664.88   71.610  2744.78  103.874  2592.50   98.855   53.110   1.0075   51.619   0.9866 1.491604 1.410130 
1 1 1   23   10    4 o   52.402   0.7170  2673.08   72.925  2729.28  103.128  2616.87  103.135   52.954   1.0033   51.849   1.0247 1.105022 1.434070 
1 1 1   23   10    5 o   25.738   1.0826  642.695   53.863  570.829   72.901  729.094   79.933   24.163   1.5543   27.314   1.5076 -3.150835 2.165293 
1 1 1   23   10    6 o   33.015   0.9203  1076.15   58.165  1160.16   78.095  971.477   87.166   34.497   1.1662   31.533   1.4240 2.963940 1.840641 
1 1 1   23   10    7 f   29.475   0.9598  847.664   54.561  838.460   72.951  859.347   82.194   29.304   1.2825   29.645   1.4283 -0.3415031 1.919564 
1 1 1   23   10    8 o   22.875   1.1913  514.694   52.564  519.255   70.665  509.046   78.647   23.005   1.5824   22.745   1.7813 0.2599277 2.382619 
1 1 1   23   10    9 f   21.180   1.2696  440.337   52.070  408.999   70.738  477.398   76.927   20.363   1.7895   21.998   1.8015 -1.634544 2.539265 
1 1 1   23   10   10 o   7.5776   2.1416   19.403   51.784   72.157   70.593 -42.0544   76.194   8.9198   3.2032   6.2354   2.8435 2.684331 4.283267 
1 1 1   23   10   11 o   14.846   1.8255  240.499   48.844  128.874   70.146  345.560   68.052   11.029   3.1307   18.664   1.8783 -7.635643 3.650967 
1 1 1   23   10   12 o   7.2419   2.1368   13.737   50.420  -8.1630   68.476   39.671   74.515   6.5097   2.8483   7.9741   3.1860 -1.464328 4.273547 
1 1 1   23   10   13 o   23.319   1.2761  556.545   55.895  622.162   73.473  466.399   86.118   25.086   1.5088   21.551   2.0585 3.534790 2.552237 
1 1 1   23   10   14 o   17.917   1.5984  323.941   55.294  305.840   73.751  347.178   83.561   17.375   2.1866   18.459   2.3320 -1.083977 3.196743 
1 1 1   23   10   15 o   11.939   2.3970  159.880   58.064  159.175   79.466  160.689   85.046   11.931   3.3132   11.947   3.4648 -0.1674747E-01 4.793998 
1 1 1   23   10   16 o   10.609   2.8360  115.889   78.456  108.455  100.157  127.694  126.216   10.214   3.7919   11.003   4.2183 -0.7889614 5.672093 
1 1 1   23   11    0 o   30.476   0.8849  905.597   52.263  925.433   72.326  883.920   75.606   30.830   1.2085   30.123   1.2930 0.7062969 1.769846 
1 1 1   23   11    1 o   39.508   0.7816  1525.81   59.673  1653.47   83.193  1390.54   85.642   41.224   1.0396   37.792   1.1674 3.431526 1.563213 
1 1 1   23   11    2 o   68.086   0.7400  4512.23   97.780  4599.17  137.852  4424.20  138.715   68.748   1.0330   67.423   1.0599 1.325035 1.479967 
1 1 1   23   11    3 o   38.066   0.7930  1412.12   58.527  1437.46   81.244  1384.79   84.384   38.424   1.0892   37.707   1.1529 0.7174911 1.586023 
1 1 1   23   11    4 o   51.811   0.7256  2613.30   72.858  2613.62  100.202  2612.95  106.126   51.819   0.9961   51.803   1.0554 0.1563263E-01 1.451237 
1 1 1   23   11    5 o   42.009   0.7696  1710.97   62.448  1641.72   83.591  1798.42   93.940   41.057   1.0488   42.961   1.1265 -1.903584 1.539137 
1 1 1   23   11    6 o   37.092   0.7985  1341.41   57.395  1347.05   78.970  1335.10   83.561   37.179   1.0942   37.005   1.1633 0.1748962 1.597021 
1 1 1   23   11    7 o   51.917   0.7466  2624.65   74.943  2600.26  101.364  2654.05  111.302   51.660   1.0108   52.173   1.0990 -0.5133286 1.493139 
1 1 1   23   11    8 o   21.494   1.2278  454.482   50.910  523.659   73.346  390.171   70.720   23.088   1.6365   19.900   1.8308 3.188778 2.455576 
1 1 1   23   11    9 o   24.928   1.1155  606.783   53.395  584.038   69.969  638.500   82.624   24.392   1.4777   25.464   1.6715 -1.071882 2.231090 
1 1 1   23   11   10 o   36.173   1.1221  1324.00   69.124  1215.46  132.147  1364.89   81.104   34.988   1.9457   37.358   1.1184 -2.370560 2.244221 
1 1 1   23   11   11 o   12.244   2.1878  160.410   52.111  172.482   72.208  147.287   75.282   12.744   2.9732   11.744   3.2104 1.000550 4.375653 
1 1 1   23   11   12 o   38.382   0.8432  1446.75   62.313  1462.42   83.273  1426.81   93.936   38.644   1.1101   38.119   1.2695 0.5252647 1.686361 
1 1 1   23   11   13 o   30.818   1.0113  935.666   60.404  906.274   82.700  969.276   88.435   30.309   1.4056   31.327   1.4543 -1.017981 2.022533 
1 1 1   23   11   14 o   12.526   2.2396  171.304   55.274  130.541   76.314  216.286   80.166   10.935   3.3108   14.117   3.0169 -3.181925 4.479150 
1 1 1   23   11   15 o   14.214   2.0319  217.211   55.101  301.879   80.562  142.788   75.531   17.106   2.4262   11.323   3.2599 5.783011 4.063712 
1 1 1   23   11   16 o   12.692   2.8272  195.793   80.429  235.658  104.456  137.742  126.049   14.152   3.7444   11.232   4.2370 2.919282 5.654465 
1 1 1   23   12    0 o   70.701   0.7248  4863.69   99.462  4897.01  139.567  4829.29  141.779   70.949   1.0134   70.453   1.0367 0.4960098 1.449699 
1 1 1   23   12    1 o   32.873   0.8516  1057.16   54.095  1142.57   75.272  965.933   77.795   34.259   1.1319   31.487   1.2728 2.771708 1.703265 
1 1 1   23   12    2 o   53.801   0.7019  2813.76   73.237  2760.48  101.043  2872.74  106.302   53.267   0.9772   54.335   1.0079 -1.068157 1.403816 
1 1 1   23   12    3 o   32.616   0.8081  1037.73   51.076  1070.44   70.936  1002.51   73.604   33.155   1.1022   32.078   1.1820 1.077072 1.616168 
1 1 1   23   12    4 o   23.019   1.1604  521.395   51.497  551.827   70.216  485.971   75.756   23.763   1.5222   22.275   1.7520 1.487606 2.320865 
1 1 1   23   12    5 o   39.280   0.8276  1502.08   62.672  1487.56   83.675  1520.62   94.588   39.074   1.1032   39.486   1.2340 -0.4127235 1.655247 
1 1 1   23   12    6 o   9.4600   2.2855   84.107   50.590   95.528   67.004   68.964   77.156   9.8186   3.1238   9.1014   3.3371 0.7171297 4.571013 
1 1 1   23   12    7 o   44.730   0.7542  1950.41   65.465  2013.86   93.126  1888.43   92.045   45.451   1.0555   44.009   1.0775 1.442211 1.508313 
1 1 1   23   12    8 o   50.378   0.7443  2471.34   72.506  2423.91   97.904  2528.95  107.902   49.853   1.0117   50.902   1.0920 -1.048645 1.488620 
1 1 1   23   12    9 o   47.678   0.7363  2218.97   68.146  2192.29   95.665  2246.44   97.095   47.388   1.0400   47.969   1.0427 -0.5808792 1.472696 
1 1 1   23   12   10 o   23.998   1.1480  567.823   53.278  565.174   72.211  570.989   78.928   23.953   1.5530   24.043   1.6911 -0.9011650E-01 2.296045 
1 1 1   23   12   11 o   19.563   1.3885  379.848   52.116  375.455   68.522  385.877   80.271   19.464   1.8136   19.662   2.1031 -0.1983814 2.777084 
1 1 1   23   12   12 o   21.648   1.2440  466.243   51.921  400.536   72.666  534.781   74.215   20.056   1.8665   23.240   1.6451 -3.184248 2.488012 
1 1 1   23   12   13 o   16.931   1.6151  293.092   52.184  353.539   73.973  233.213   73.626   18.760   2.0314   15.102   2.5115 3.657734 3.230174 
1 1 1   23   12   14 o   30.910   1.0082  946.855   60.369  1006.84   84.874  885.434   85.884   31.925   1.3695   29.895   1.4800 2.030416 2.016419 
1 1 1   23   12   15 o   19.999   1.4958  418.466   56.168  506.167   76.845  317.862   82.304   22.456   1.7628   17.542   2.4169 4.913801 2.991529 
1 1 1   23   13    0 o   39.521   0.7872  1514.62   60.274  1428.81   82.144  1614.71   88.715   38.314   1.1045   40.728   1.1221 -2.414448 1.574477 
1 1 1   23   13    1 o   54.082   0.7049  2849.40   73.864  2917.85  102.164  2774.42  106.916   54.768   0.9610   53.396   1.0315 1.372246 1.409775 
1 1 1   23   13    2 o   38.705   0.7879  1455.37   59.123  1392.23   81.176  1526.71   86.283   37.814   1.1059   39.596   1.1226 -1.782318 1.575805 
1 1 1   23   13    3 f   8.6926   2.2593   59.010   49.814   45.136   65.771   77.677   76.290   7.9899   3.0493   9.3953   3.3346 -1.405432 4.518646 
1 1 1   23   13    4 o   24.786   1.1056  601.653   52.991  612.460   72.229  589.057   77.983   25.036   1.4862   24.535   1.6374 0.5005264 2.211287 
1 1 1   23   13    5 o   67.447   0.7421  4431.25   97.139  4438.29  135.925  4423.91  138.874   67.504   1.0373   67.389   1.0616 0.1149826 1.484257 
1 1 1   23   13    6 o   53.162   0.7301  2754.14   75.179  2762.36  103.050  2744.78  109.919   53.254   0.9969   53.071   1.0670 0.1833916 1.460194 
1 1 1   23   13    7 o   15.833   1.7251  256.805   50.444  276.302   66.350  230.098   77.654   16.727   2.0434   14.939   2.7801 1.788533 3.450271 
1 1 1   23   13    8 o   25.178   1.1198  621.799   54.059  499.025   74.274  760.098   78.831   22.516   1.6993   27.840   1.4587 -5.323641 2.239534 
1 1 1   23   13    9 o   18.923   1.4554  362.795   52.256  403.026   69.714  311.200   78.948   20.199   1.7779   17.646   2.3048 2.553812 2.910893 
1 1 1   23   13   10 o   10.648   2.2069  113.003   52.142   53.083   71.971  179.202   75.648   8.3206   3.1864   12.975   3.0542 -4.654037 4.413794 
1 1 1   23   13   11 o   16.993   1.5085  288.582   49.736  301.983   71.070  275.720   69.627   17.386   2.1058   16.601   2.1607 0.7857075 3.017083 
1 1 1   23   13   12 o   37.424   0.8475  1359.60   61.238  1210.09   81.905  1549.12   92.215   35.115   1.2016   39.733   1.1956 -4.617962 1.695050 
1 1 1   23   13   13 o   29.306   1.0109  838.115   57.014  774.539   74.921  925.587   87.879   28.020   1.3774   30.592   1.4798 -2.572397 2.021705 
1 1 1   23   13   14 o   14.960   2.0198  230.868   56.795  160.961   74.497  327.888   87.763   12.088   3.1449   17.832   2.5354 -5.744132 4.039662 
1 1 1   23   13   15 o   28.062   1.2680  799.781   68.005  739.736  103.193  845.877   90.415   27.022   1.9673   29.103   1.6004 -2.080759 2.536055 
1 1 1   23   14    0 o   50.343   0.6922  2465.22   67.521  2459.74   92.704  2471.41   98.540   50.287   0.9497   50.399   1.0072 -0.1123810 1.384334 
1 1 1   23   14    1 o   37.697   0.7804  1390.14   56.717  1450.50   76.909  1318.18   83.976   38.607   1.0262   36.788   1.1759 1.818474 1.560767 
1 1 1   23   14    2 o   47.352   0.7217  2179.33   66.231  2132.00   90.666  2233.49   96.981   46.805   0.9979   47.900   1.0430 -1.095100 1.443498 
1 1 1   23   14    3 o   15.896   2.1393  252.614   60.796  267.730  106.909  245.389   73.910   16.025   3.5319   15.766   2.4150 0.2590771 4.278593 
1 1 1   23   14    4 o   36.659   0.8314  1299.48   58.736  1227.96   77.715  1394.77   89.697   35.498   1.1278   37.820   1.2218 -2.321384 1.662735 
1 1 1   23   14    5 o   34.216   0.8543  1137.44   56.456  1100.00   75.614  1184.59   84.865   33.589   1.1597   34.843   1.2547 -1.254242 1.708549 
1 1 1   23   14    6 o   25.733   1.0799  651.308   53.352  670.714   71.045  626.210   80.794   26.192   1.3973   25.273   1.6469 0.9194603 2.159803 
1 1 1   23   14    7 o   13.691   2.0100  195.652   51.493  205.041   69.863  184.486   76.191   14.107   2.6484   13.275   3.0243 0.8326807 4.019993 
1 1 1   23   14    8 o   14.102   1.9069  212.322   50.132  287.536   69.576  131.116   72.295   17.022   2.1057   11.182   3.1798 5.839923 3.813767 
1 1 1   23   14    9 o   28.704   1.0123  801.815   56.060  745.206   74.434  876.016   85.219   27.554   1.3916   29.855   1.4705 -2.301147 2.024588 
1 1 1   23   14   10 o   20.097   1.2993  400.576   50.629  392.413   72.926  408.172   70.346   19.887   1.8890   20.307   1.7846 -0.4191742 2.598671 
1 1 1   23   14   11 o   27.004   1.0978  723.897   57.001  758.159   76.707  681.649   85.179   27.757   1.4236   26.251   1.6715 1.505714 2.195639 
1 1 1   23   14   12 o   12.642   2.0518  158.017   52.855   78.240   69.077  270.687   82.092   9.0114   3.1758   16.272   2.5990 -7.260270 4.103694 
1 1 1   23   14   13 o   22.241   1.2894  492.384   55.559  456.611   76.028  533.381   81.390   21.374   1.8324   23.108   1.8145 -1.733553 2.578783 
1 1 1   23   14   14 o   24.137   1.2141  581.898   56.872  588.904   81.454  575.234   79.441   24.274   1.7287   24.000   1.7052 0.2740364 2.428188 
1 1 1   23   14   15 o   22.284   2.0250  540.979   83.481  584.455  106.674  472.276  134.098   23.810   2.3080   20.758   3.3280 3.052341 4.049972 
1 1 1   23   15    0 o   52.862   0.7019  2715.83   71.949  2654.36   99.149  2784.21  104.570   52.232   0.9779   53.491   1.0071 -1.258366 1.403723 
1 1 1   23   15    1 o   8.7393   2.0711   45.066   48.103 -26.5488   64.447  135.148   72.281   6.0113   2.6894   11.467   3.1503 -5.455999 4.142131 
1 1 1   23   15    2 o   19.229   1.3716  360.421   50.729  346.567   66.813  379.281   77.953   18.807   1.8301   19.652   2.0435 -0.8447762 2.743173 
1 1 1   23   15    3 o   7.5309   2.1402   28.195   47.570   28.419   63.433   27.907   71.910   7.3600   2.9399   7.7017   3.1111 -0.3416834 4.280467 
1 1 1   23   15    4 o   15.763   1.5816  244.984   48.379  242.397   67.368  247.739   69.520   15.680   2.2133   15.846   2.2600 -0.1665802 3.163297 
1 1 1   23   15    5 o   55.138   0.7176  2961.71   76.681  2967.53  105.572  2955.21  111.562   55.201   0.9852   55.075   1.0435 0.1260986 1.435131 
1 1 1   23   15    6 o   24.283   1.1327  574.105   52.997  547.293   70.141  609.777   80.904   23.637   1.5287   24.928   1.6719 -1.290537 2.265428 
1 1 1   23   15    7 o   17.152   1.4846  291.981   49.297  269.181   69.999  314.415   69.436   16.471   2.1893   17.833   2.0059 -1.361410 2.969276 
1 1 1   23   15    8 o   15.485   1.7856  240.077   53.617  230.314   73.756  251.018   78.079   15.155   2.5071   15.815   2.5434 -0.6591387 3.571292 
1 1 1   23   15    9 o   24.600   1.1004  596.818   52.452  558.233   74.394  634.957   73.963   23.796   1.6106   25.404   1.4998 -1.608768 2.200763 
1 1 1   23   15   10 o   21.685   1.2986  465.783   54.460  462.989   73.821  469.118   80.670   21.632   1.7580   21.737   1.9118 -0.1049786 2.597230 
1 1 1   23   15   11 o   7.7670   2.1729   19.139   54.508   86.012   74.181 -59.3397   80.360   9.4191   3.2930   6.1149   2.8360 3.304200 4.345833 
1 1 1   23   15   12 o   20.712   1.3001  428.028   51.908  365.197   72.218  495.181   74.661   19.105   1.9473   22.319   1.7232 -3.214277 2.600294 
1 1 1   23   15   13 o   18.675   1.4387  358.725   50.917  415.450   69.196  291.743   75.192   20.409   1.7466   16.941   2.2865 3.468294 2.877314 
1 1 1   23   15   14 o   21.961   1.3468  479.412   57.051  423.436   75.965  551.829   86.404   20.508   1.9083   23.414   1.9010 -2.906759 2.693566 
1 1 1   23   15   15 o   24.148   1.9399  636.652   83.400  676.822  102.228  556.709  144.215   25.770   2.0436   22.526   3.2980 3.243641 3.879832 
1 1 1   23   16    0 o   38.881   0.7763  1469.69   58.374  1447.07   78.942  1496.98   86.710   38.556   1.0548   39.205   1.1393 -0.6497345 1.552620 
1 1 1   23   16    1 o   36.115   0.8116  1276.44   56.446  1323.51   76.058  1218.73   84.217   36.869   1.0627   35.361   1.2269 1.507919 1.623166 
1 1 1   23   16    2 o   38.677   0.7804  1454.70   58.494  1417.68   80.038  1497.16   85.699   38.152   1.0807   39.201   1.1262 -1.049080 1.560842 
1 1 1   23   16    3 o   7.9355   2.1760   19.189   50.820 -29.8491   66.228   89.416   79.255   6.0272   2.7092   9.8437   3.4058 -3.816518 4.351986 
1 1 1   23   16    4 o   11.653   2.1507  143.281   50.130  175.389   67.557  103.935   74.783   13.045   2.7542   10.261   3.3039 2.784147 4.301355 
1 1 1   23   16    5 o   26.251   1.0380  672.421   52.805  646.535   72.137  702.305   77.508   25.712   1.4453   26.791   1.4903 -1.079590 2.076075 
1 1 1   23   16    6 o   47.330   0.7340  2185.22   67.389  2219.19   94.042  2149.36   96.614   47.713   1.0154   46.948   1.0601 0.7657738 1.467935 
1 1 1   23   16    7 o   24.923   1.0780  626.696   50.538  704.605   66.662  521.396   77.499   26.837   1.2796   23.009   1.7351 3.827501 2.155956 
1 1 1   23   16    8 o   23.499   1.1330  547.655   51.280  601.147   70.840  488.766   74.328   24.739   1.4751   22.260   1.7202 2.479380 2.266061 
1 1 1   23   16    9 o   26.868   1.0524  706.087   54.584  672.805   72.810  748.797   82.479   26.162   1.4337   27.573   1.5410 -1.410997 2.104753 
1 1 1   23   16   10 o   13.550   2.0147  189.289   52.418  141.826   71.321  245.047   77.302   11.534   3.1131   15.566   2.5582 -4.032158 4.029373 
1 1 1   23   16   11 o   17.619   1.5411  311.742   52.431  271.440   72.893  354.947   75.472   16.409   2.2884   18.830   2.0648 -2.420315 3.082245 
1 1 1   23   16   12 o   18.196   1.5904  335.273   55.874  338.176   75.469  331.752   83.117   18.324   2.1217   18.068   2.3698 0.2559109 3.180811 
1 1 1   23   16   13 o   30.534   1.0268  922.800   60.659  924.503   82.572  920.803   89.403   30.589   1.3906   30.479   1.5111 0.1099167 2.053564 
1 1 1   23   16   14 o   11.810   2.0334  128.559   56.751   9.5325   75.288  285.188   86.365   7.1021   3.0469   16.518   2.6935 -9.415655 4.066759 
1 1 1   23   16   15 o   9.4729   2.6658   18.003   80.329 -86.0389  102.474  183.842  129.376   6.5350   3.0853   12.411   4.3482 -5.875942 5.331616 
1 1 1   23   17    0 o   31.880   0.8465  986.277   51.807  963.698   68.019  1017.47   79.952   31.456   1.1139   32.304   1.2750 -0.8484821 1.693052 
1 1 1   23   17    1 o   15.264   1.6808  236.681   47.487  254.296   62.633  212.865   72.827   16.092   2.0051   14.436   2.6981 1.656274 3.361570 
1 1 1   23   17    2 o   59.270   0.7074  3416.60   81.136  3376.88  110.161  3463.68  119.949   58.901   0.9635   59.639   1.0361 -0.7388802 1.414845 
1 1 1   23   17    3 o   45.087   0.7191  1979.19   62.851  1971.25   86.574  1988.04   91.390   44.995   0.9912   45.178   1.0421 -0.1837158 1.438203 
1 1 1   23   17    4 o   28.582   0.9512  789.375   52.135  746.580   67.871  850.973   81.428   27.658   1.2642   29.507   1.4216 -1.848820 1.902412 
1 1 1   23   17    5 o   15.199   1.7582  229.729   50.501  201.281   67.353  266.258   76.322   14.018   2.5700   16.381   2.4002 -2.363446 3.516454 
1 1 1   23   17    6 o   31.160   0.8927  947.290   53.942  897.761   74.493  1001.89   78.215   30.304   1.2663   32.015   1.2586 -1.710699 1.785363 
1 1 1   23   17    7 o   15.513   1.8368  266.064   50.319  355.269   67.379  153.572   75.664   18.971   1.8296   12.054   3.1856 6.917024 3.673626 
1 1 1   23   17    8 o   11.065   2.1164  112.286   53.167   23.969   70.824  226.308   80.474   7.4495   3.0580   14.680   2.9267 -7.230639 4.232845 
1 1 1   23   17    9 o   33.010   0.8846  1071.26   56.447  1113.31   77.368  1023.40   82.539   33.722   1.1819   32.298   1.3165 1.423981 1.769211 
1 1 1   23   17   10 o   17.183   1.5340  295.669   51.078  274.076   71.755  317.849   72.724   16.531   2.2361   17.836   2.1005 -1.305086 3.067925 
1 1 1   23   17   11 o   24.135   1.2136  574.735   56.503  549.432   75.155  607.629   85.691   23.549   1.6440   24.720   1.7857 -1.170668 2.427299 
1 1 1   23   17   12 o   18.767   1.5717  349.581   56.501  281.162   74.858  440.165   86.134   16.640   2.3176   20.894   2.1237 -4.254158 3.143426 
1 1 1   23   17   13 o   8.9878   2.2441   66.804   54.193  132.438   76.100  -0.7314   77.194   10.992   3.3012   6.9838   3.0407 4.008056 4.488247 
1 1 1   23   17   14 o   14.034   2.3354  210.927   61.801  282.849   99.839  166.249   78.689   15.897   3.3414   12.171   3.2636 3.725995 4.670766 
1 1 1   23   17   15 o   18.105   2.4549  386.928   79.602  431.503   99.859  309.229  131.840   20.302   2.5339   15.908   4.2055 4.393784 4.909822 
1 1 1   23   18    0 o   29.399   0.9371  832.874   53.149  742.403   70.709  950.375   80.582   27.586   1.3204   31.211   1.3300 -3.624512 1.874176 
1 1 1   23   18    1 o   29.729   0.9505  857.592   54.456  823.733   72.180  902.325   82.965   29.060   1.2796   30.399   1.4060 -1.338995 1.901059 
1 1 1   23   18    2 o   63.179   0.7319  3881.84   89.609  3796.01  122.665  3980.06  131.219   62.436   1.0121   63.923   1.0575 -1.486160 1.463767 
1 1 1   23   18    3 o   51.979   0.7290  2631.45   73.367  2627.92  100.225  2635.52  107.691   51.948   0.9939   52.010   1.0667 -0.6201553E-01 1.457956 
1 1 1   23   18    4 o   27.216   1.0074  723.890   52.986  720.308   71.550  728.240   78.847   27.151   1.3576   27.281   1.4889 -0.1305637 2.014868 
1 1 1   23   18    5 o   8.4865   2.1939   60.192   47.264   69.847   66.737   50.476   66.947   8.8168   3.1200   8.1562   3.0852 0.6606369 4.387775 
1 1 1   23   18    6 o   33.423   0.8655  1093.39   55.268  1100.02   72.178  1083.98   85.928   33.567   1.1077   33.278   1.3302 0.2885666 1.731005 
1 1 1   23   18    7 o   9.0968   2.2407   77.701   48.082   79.464   62.521   75.148   75.226   9.0339   3.0270   9.1597   3.3046 -0.1258421 4.481440 
1 1 1   23   18    8 o   13.968   1.9508  213.850   50.625  270.813   67.250  139.356   76.905   16.484   2.1017   11.452   3.2872 5.031934 3.901639 
1 1 1   23   18    9 o   25.789   1.0686  654.140   53.414  605.302   74.413  706.053   76.719   24.788   1.5465   26.789   1.4753 -2.001371 2.137289 
1 1 1   23   18   10 o   11.404   2.3050  139.381   53.452  139.313   72.362  139.461   79.299   11.402   3.1600   11.406   3.3566 -0.3812790E-02 4.610009 
1 1 1   23   18   11 o   17.517   1.6035  311.171   53.985  319.537   72.150  300.528   81.374   17.839   2.0835   17.194   2.4380 0.6444588 3.207022 
1 1 1   23   18   12 o   15.331   1.7846  243.608   50.872  312.462   74.598  183.751   69.554   17.574   2.1867   13.088   2.8208 4.485914 3.569165 
1 1 1   23   18   13 o   26.364   1.1792  696.427   59.943  728.684   81.489  658.392   88.488   27.080   1.5502   25.647   1.7774 1.432739 2.358412 
1 1 1   23   18   14 o   23.132   2.1482  620.967   84.536  750.279  108.451  420.737  134.952   27.152   2.0576   19.111   3.7716 8.041142 4.296407 
1 1 1   23   19    0 o   59.634   0.7090  3465.38   81.994  3563.53  114.594  3362.41  117.372   60.505   0.9757   58.763   1.0289 1.741776 1.417984 
1 1 1   23   19    1 o   29.204   0.9087  841.380   50.933  927.725   69.579  741.694   74.761   30.851   1.1618   27.558   1.3975 3.292273 1.817398 
1 1 1   23   19    2 o   42.995   0.7381  1800.36   61.588  1786.15   86.068  1815.28   88.166   42.822   1.0354   43.168   1.0521 -0.3452644 1.476168 
1 1 1   23   19    3 o   37.443   0.7831  1377.02   56.442  1476.88   76.937  1260.64   83.056   38.937   1.0179   35.949   1.1902 2.987312 1.566118 
1 1 1   23   19    4 o   32.341   0.8743  1021.66   54.612  1025.43   73.718  1017.06   81.304   32.417   1.1715   32.265   1.2981 0.1521759 1.748579 
1 1 1   23   19    5 o   37.671   0.8333  1394.09   60.554  1488.94   83.065  1286.53   88.463   39.062   1.0955   36.280   1.2561 2.782616 1.666689 
1 1 1   23   19    6 o   17.038   1.5552  289.401   50.965  242.369   71.251  338.675   72.930   15.586   2.3549   18.489   2.0320 -2.902430 3.110442 
1 1 1   23   19    7 o   29.944   0.9764  873.628   56.515  816.595   75.794  945.046   84.815   28.857   1.3531   31.031   1.4080 -2.173595 1.952779 
1 1 1   23   19    8 o   16.441   1.6038  270.532   50.981  268.323   68.983  273.190   75.677   16.389   2.1684   16.493   2.3638 -0.1038399 3.207690 
1 1 1   23   19    9 o   38.387   0.8307  1440.07   61.535  1417.59   82.367  1468.48   92.573   38.066   1.1147   38.709   1.2320 -0.6434784 1.661413 
1 1 1   23   19   10 o   52.752   0.7462  2723.32   76.387  2739.07  106.845  2706.86  109.251   52.914   1.0402   52.590   1.0702 0.3240852 1.492406 
1 1 1   23   19   11 o   12.073   2.2256  158.510   52.926  138.945   74.671  178.262   75.026   11.314   3.2366   12.832   3.0558 -1.518173 4.451190 
1 1 1   23   19   12 o   9.0263   2.3903   70.945   56.114   55.922   73.850   91.468   86.315   8.3425   3.2193   9.7101   3.5342 -1.367600 4.780635 
1 1 1   23   19   13 o   19.164   1.6853  371.266   60.718  260.420   80.969  513.689   91.780   15.826   2.6356   22.502   2.1012 -6.675553 3.370676 
1 1 1   23   19   14 o   41.656   1.2418  1750.75   98.052  1769.44  126.328  1722.44  155.507   42.102   1.5457   41.209   1.9440 0.8931808 2.483603 
1 1 1   23   20    0 o   7.8168   2.1065   24.986   47.154 -20.3276   61.922   87.532   72.750   5.9971   2.6626   9.6365   3.2651 -3.639368 4.213099 
1 1 1   23   20    1 o   20.243   1.3026  397.088   50.761  364.729   66.751  441.464   78.168   19.284   1.7832   21.201   1.8994 -1.916988 2.605242 
1 1 1   23   20    2 o   19.453   1.3478  375.061   50.268  395.792   67.246  348.807   75.677   20.090   1.7244   18.817   2.0718 1.272923 2.695522 
1 1 1   23   20    3 o   13.533   1.9761  188.945   50.176  177.740   69.549  201.108   72.461   13.101   2.8184   13.965   2.7707 -0.8644867 3.952241 
1 1 1   23   20    4 o   14.732   1.8588  226.748   50.384  254.665   66.223  188.379   77.637   16.045   2.1262   13.419   3.0496 2.625957 3.717623 
1 1 1   23   20    5 o   36.248   0.8301  1284.08   57.919  1286.57   77.139  1280.85   87.691   36.304   1.0946   36.192   1.2482 0.1119423 1.660143 
1 1 1   23   20    6 o   35.992   0.8564  1267.36   59.745  1272.43   82.358  1261.74   86.800   36.076   1.1761   35.908   1.2453 0.1676483 1.712839 
1 1 1   23   20    7 o   9.4779   2.2280   87.021   48.744   61.592   67.583  114.591   70.372   8.4762   3.1209   10.480   3.1807 -2.003341 4.456081 
1 1 1   23   20    8 o   10.677   2.2261  121.128   50.438  147.869   67.740   87.855   75.561   11.802   2.9616   9.5525   3.3244 2.249588 4.452217 
1 1 1   23   20    9 o   5.2287   1.7634 -123.6982   51.519 -209.5838   70.802 -27.0517   75.107   4.0187   2.0210   6.4388   2.8904 -2.420146 3.526867 
1 1 1   23   20   10 o   11.474   2.2435  142.654   51.899  157.397   71.437  126.174   75.527   12.086   3.0460   10.861   3.2948 1.224925 4.487076 
1 1 1   23   20   11 o   33.048   0.9800  1077.65   62.573  1079.80   84.567  1075.04   93.019   33.111   1.3157   32.985   1.4527 0.1256447 1.960009 
1 1 1   23   20   12 o   28.353   1.1145  796.842   60.951  783.995   81.462  813.180   91.867   28.128   1.4920   28.578   1.6560 -0.4507904 2.228951 
1 1 1   23   20   13 o   12.805   2.4088  179.524   60.338  223.781   95.106  149.710   78.058   14.040   3.5015   11.571   3.3088 2.468669 4.817559 
1 1 1   23   20   14 o   11.524   2.8960  148.349   78.413  140.956   96.212  162.974  135.320   11.142   3.7549   11.907   4.4101 -0.7650080 5.792092 
1 1 1   23   21    0 o   26.475   0.9632  681.971   49.243  660.885   65.930  708.577   74.058   26.021   1.3053   26.930   1.4167 -0.9089966 1.926324 
1 1 1   23   21    1 o   23.077   1.0767  520.004   48.181  491.464   66.498  551.544   69.905   22.411   1.5285   23.743   1.5167 -1.331863 2.153341 
1 1 1   23   21    2 o   31.250   0.8783  961.861   52.622  1019.82   70.491  888.903   79.086   32.339   1.1229   30.161   1.3508 2.178452 1.756572 
1 1 1   23   21    3 o   22.105   1.1763  480.245   49.276  482.542   63.288  476.708   78.525   22.200   1.4686   22.011   1.8379 0.1889782 2.352574 
1 1 1   23   21    4 o   5.9846   1.9097 -35.4590   48.026  -6.9005   63.680 -73.1278   73.135   6.3678   2.7671   5.6014   2.6328 0.7664294 3.819481 
1 1 1   23   21    5 o   5.9931   1.9222 -35.2728   48.406 -31.3061   67.059 -39.5884   69.946   5.9979   2.7083   5.9884   2.7284 0.9475231E-02 3.844321 
1 1 1   23   21    6 o   44.779   0.7757  1961.57   67.329  2078.25   95.042  1844.02   95.394   46.127   1.0614   43.432   1.1315 2.695694 1.551420 
1 1 1   23   21    7 o   24.911   1.1366  616.545   54.456  656.330   73.820  569.046   80.660   25.831   1.4722   23.991   1.7320 1.839916 2.273123 
1 1 1   23   21    8 o   20.029   1.3504  392.625   51.999  359.177   68.035  439.608   80.634   19.034   1.8414   21.024   1.9758 -1.990265 2.700778 
1 1 1   23   21    9 o   28.347   1.0010  794.320   54.274  811.685   71.400  770.554   83.531   28.752   1.2793   27.942   1.5400 0.8098869 2.002029 
1 1 1   23   21   10 o   12.411   2.1310  173.133   56.441  250.919   74.619   69.122   86.285   15.707   2.4473   9.1143   3.4893 6.592726 4.261958 
1 1 1   23   21   11 o   13.337   2.2153  193.719   56.670  161.190   78.774  228.611   81.586   12.110   3.2731   14.563   2.9862 -2.453575 4.430591 
1 1 1   23   21   12 o   12.687   2.2276  180.406   56.094  230.824   77.478  124.864   81.320   14.660   2.8251   10.715   3.4448 3.945075 4.455099 
1 1 1   23   21   13 o   35.534   1.3541  1306.45   90.353  1434.87  117.987  1124.35  140.498   37.907   1.6034   33.162   2.1826 4.745285 2.708236 
1 1 1   23   22    0 o   14.142   1.7994  206.249   47.081  226.335   61.933  178.750   72.466   15.153   2.1055   13.131   2.9186 2.021828 3.598814 
1 1 1   23   22    1 o   28.630   0.9627  797.688   53.061  776.170   70.238  826.293   80.983   28.193   1.2834   29.067   1.4353 -0.8739452 1.925397 
1 1 1   23   22    2 o   13.735   1.9620  194.830   50.446  191.595   69.354  198.464   73.509   13.625   2.7175   13.844   2.8308 -0.2189884 3.924070 
1 1 1   23   22    3 o   22.540   1.1358  500.191   49.543  537.727   69.445  461.286   70.700   23.416   1.5278   21.664   1.6812 1.751646 2.271647 
1 1 1   23   22    4 o   26.288   1.0191  673.438   51.841  623.559   70.030  733.906   77.107   25.220   1.4305   27.357   1.4520 -2.136528 2.038268 
1 1 1   23   22    5 o   30.121   0.9606  898.119   55.104  940.607   72.334  839.359   85.063   31.010   1.2016   29.231   1.4991 1.779123 1.921249 
1 1 1   23   22    6 o   19.838   1.5350  383.675   57.637  524.107   88.413  279.884   76.009   22.968   1.9830   16.708   2.3435 6.260035 3.069943 
1 1 1   23   22    7 o   27.119   1.0796  717.061   55.952  685.665   72.328  763.850   88.296   26.416   1.4105   27.823   1.6348 -1.406986 2.159233 
1 1 1   23   22    8 o   17.035   1.5875  290.870   52.379  288.735   71.642  293.322   76.774   16.985   2.1729   17.084   2.3150 -0.9952545E-01 3.174990 
1 1 1   23   22    9 o   25.422   1.1748  640.566   57.433  642.839   76.307  637.594   87.229   25.510   1.5409   25.334   1.7737 0.1759911 2.349607 
1 1 1   23   22   10 o   35.504   0.8512  1238.36   58.641  1243.80   81.967  1232.67   83.929   35.590   1.1864   35.418   1.2207 0.1715508 1.702301 
1 1 1   23   22   11 o   22.381   1.3428  500.072   57.980  483.764   77.314  521.030   87.646   21.998   1.8105   22.764   1.9835 -0.7653790 2.685553 
1 1 1   23   22   12 o   13.217   2.4089  193.900   62.024  170.750   82.895  223.346   93.489   12.347   3.3662   14.088   3.4468 -1.741713 4.817830 
1 1 1   23   22   13 o   15.504   2.4983  315.121   79.994  423.975   99.391  114.944  134.783   20.148   2.5412   10.860   4.3020 9.288392 4.996532 
1 1 1   23   23    0 o   10.183   2.0931  107.044   45.504  139.080   61.263   67.617   67.963   11.581   2.7637   8.7861   3.1443 2.794416 4.186214 
1 1 1   23   23    1 o   22.829   1.0801  511.442   47.715  522.927   65.415  498.383   69.753   23.112   1.4580   22.545   1.5939 0.5676212 2.160146 
1 1 1   23   23    2 o   54.309   0.7226  2872.63   76.014  2827.41  103.804  2924.92  111.620   53.856   0.9929   54.763   1.0500 -0.9067154 1.445138 
1 1 1   23   23    3 o   32.667   0.8909  1044.34   55.895  1048.20   73.944  1039.20   85.378   32.756   1.1629   32.578   1.3501 0.1776543 1.781866 
1 1 1   23   23    4 o   15.469   1.7848  252.202   50.303  295.149   66.930  196.452   76.257   17.260   1.9977   13.678   2.9582 3.581962 3.569543 
1 1 1   23   23    5 o   47.047   0.7354  2161.69   67.163  2158.40   94.652  2165.03   95.318   47.012   1.0372   47.082   1.0429 -0.7057953E-01 1.470865 
1 1 1   23   23    6 o   20.252   1.4232  427.309   53.004  545.023   72.223  289.904   78.030   23.514   1.5823   16.989   2.3660 6.525066 2.846339 
1 1 1   23   23    7 o   31.267   0.9468  956.106   57.246  921.874   77.113  998.134   85.443   30.657   1.2958   31.877   1.3808 -1.220169 1.893599 
1 1 1   23   23    8 o   23.943   1.1802  573.457   54.101  616.189   72.631  520.199   81.085   25.001   1.4966   22.885   1.8252 2.115761 2.360344 
1 1 1   23   23    9 o   30.040   0.9386  887.440   54.674  831.359   76.377  946.382   78.300   29.059   1.3540   31.021   1.3003 -1.962231 1.877278 
1 1 1   23   23   10 f   10.150   2.3648  108.081   54.323  121.388   75.286   93.629   78.461   10.627   3.3017   9.6729   3.3863 0.9537764 4.729549 
1 1 1   23   23   11 o   13.646   2.2185  201.797   57.620  167.534   77.760  243.519   85.808   12.320   3.2167   14.971   3.0561 -2.650382 4.436986 
1 1 1   23   23   12 o   27.494   1.6438  771.606   86.013  753.258  110.764  799.476  136.514   27.226   2.0958   27.763   2.5331 -0.5371227 3.287689 
1 1 1   23   23   13 f   10.899   2.8944  124.991   80.492  119.250  100.009  135.549  135.628   10.517   3.8078   11.281   4.3601 -0.7640181 5.788764 
1 1 1   23   24    0 o   41.232   0.7430  1660.79   59.268  1701.03   81.175  1614.84   86.736   41.777   1.0010   40.688   1.0982 1.089340 1.485909 
1 1 1   23   24    1 o   42.449   0.7383  1755.89   60.690  1736.67   82.773  1778.23   89.251   42.204   1.0103   42.693   1.0769 -0.4888916 1.476676 
1 1 1   23   24    2 o   6.2482   1.9258 -30.2314   47.506   29.058   66.432 -92.2806   67.960   7.4482   2.9968   5.0482   2.4194 2.399945 3.851501 
1 1 1   23   24    3 o   19.080   1.3291  360.660   49.086  386.395   68.827  334.021   70.025   19.790   1.7916   18.370   1.9637 1.419983 2.658181 
1 1 1   23   24    4 o   49.132   0.7400  2351.51   70.412  2278.84   95.751  2437.08  103.901   48.314   1.0209   49.949   1.0716 -1.634640 1.480080 
1 1 1   23   24    5 o   30.315   0.9593  908.399   55.945  962.109   75.702  843.771   83.041   31.336   1.2445   29.294   1.4603 2.042145 1.918686 
1 1 1   23   24    6 o   45.422   0.7416  2016.06   65.301  2012.67   90.055  2019.83   94.827   45.390   1.0221   45.455   1.0747 -0.6515503E-01 1.483116 
1 1 1   23   24    7 o   12.979   2.5893  187.372   66.868  156.510  116.057  202.708   81.812   12.194   4.1240   13.765   3.1323 -1.570415 5.178679 
1 1 1   23   24    8 f   46.912   0.7538  2154.04   68.643  2183.68   97.259  2124.62   96.895   47.236   1.0607   46.589   1.0714 0.6469879 1.507649 
1 1 1   23   24    9 o   8.3644   2.4181   32.170   66.385 -94.7153  124.623   82.437   78.440   7.4029   3.4658   9.3258   3.3730 -1.922967 4.836179 
1 1 1   23   24   10 o   7.6738   2.0498   1.3955   53.801  111.673   72.749 -131.7288   79.930   10.232   3.2549   5.1154   2.4925 5.116807 4.099642 
1 1 1   23   24   11 o   26.321   1.1286  689.545   57.616  654.797   81.154  724.860   81.812   25.638   1.6307   27.004   1.5607 -1.365902 2.257196 
1 1 1   23   24   12 o   30.435   1.4416  943.918   83.831  957.684  109.931  924.788  129.590   30.830   1.8369   30.041   2.2223 0.7887497 2.883161 
1 1 1   23   25    0 o   15.127   1.6313  229.294   46.307  187.556   63.238  277.553   67.998   13.510   2.5036   16.744   2.0921 -3.234042 3.262646 
1 1 1   23   25    1 f   20.575   1.2306  414.446   48.984  387.535   66.018  447.408   73.064   19.841   1.7141   21.310   1.7663 -1.468426 2.461253 
1 1 1   23   25    2 f   27.569   1.0090  750.359   53.438  786.128   71.705  705.676   80.144   28.336   1.3036   26.802   1.5404 1.534912 2.017987 
1 1 1   23   25    3 o   27.884   1.0127  759.217   54.270  736.320   71.397  790.550   83.521   27.408   1.3420   28.360   1.5171 -0.9526310 2.025466 
1 1 1   23   25    4 f   29.215   0.9476  830.000   53.391  776.525   70.790  900.552   81.311   28.144   1.2958   30.287   1.3830 -2.143282 1.895197 
1 1 1   23   25    5 o   10.214   2.2598  108.118   52.277  144.991   69.461   59.951   79.390   11.676   3.0362   8.7524   3.3478 2.923697 4.519583 
1 1 1   23   25    6 o   20.878   1.3715  437.225   54.825  462.847   73.202  404.493   82.738   21.628   1.7435   20.128   2.1175 1.500166 2.742976 
1 1 1   23   25    7 o   25.888   1.1250  666.979   55.824  697.998   74.420  627.068   84.415   26.623   1.4400   25.154   1.7288 1.468977 2.250024 
1 1 1   23   25    8 o   6.8066   2.0884  -6.9610   52.731   26.276   68.405 -55.6349   82.781   7.3466   3.0094   6.2667   2.8964 1.079997 4.176800 
1 1 1   23   25    9 o   10.673   2.3113  124.126   53.083  143.632   69.598   96.998   82.077   11.502   3.0626   9.8435   3.4625 1.658810 4.622633 
1 1 1   23   25   10 o   16.882   1.7865  296.710   56.123  232.487   77.600  367.147   81.267   14.740   2.8147   19.023   2.2008 -4.282887 3.572933 
1 1 1   23   25   11 o   38.374   1.0265  1445.63   75.768  1568.98  116.923  1356.34   99.481   39.733   1.5159   37.015   1.3845 2.718559 2.053036 
1 1 1   23   25   12 o   9.9113   2.7203   93.455   75.061  113.299   94.682   59.884  123.148   10.306   3.7088   9.5165   3.9806 0.7897530 5.440631 
1 1 1   23   26    0 o   37.146   0.7718  1350.08   55.311  1375.72   74.639  1318.84   82.376   37.551   1.0239   36.741   1.1550 0.8102913 1.543541 
1 1 1   23   26    1 o   33.807   0.8232  1116.99   53.611  1116.27   71.554  1117.91   80.947   33.809   1.0903   33.805   1.2335 0.4188538E-02 1.646301 
1 1 1   23   26    2 o   16.894   1.5352  293.686   48.572  346.972   65.200  227.232   72.812   18.742   1.7921   15.045   2.4931 3.696850 3.070379 
1 1 1   23   26    3 o   48.136   0.7427  2259.92   69.227  2212.52   94.210  2315.56  102.066   47.598   1.0196   48.675   1.0802 -1.077396 1.485435 
1 1 1   23   26    4 o   26.847   1.0818  705.153   56.172  655.926   75.604  765.807   83.923   25.814   1.5088   27.881   1.5506 -2.067522 2.163522 
1 1 1   23   26    5 o   19.558   1.3674  380.156   51.816  409.889   73.742  351.158   72.824   20.328   1.8687   18.787   1.9969 1.541246 2.734889 
1 1 1   23   26    6 o   24.437   1.1011  581.790   51.893  522.793   68.834  659.474   78.986   23.024   1.5401   25.850   1.5741 -2.825998 2.202242 
1 1 1   23   26    7 o   22.479   1.2063  497.906   52.452  461.638   70.672  542.385   78.265   21.579   1.6871   23.379   1.7245 -1.800230 2.412554 
1 1 1   23   26    8 o   41.001   0.8502  1652.11   67.413  1662.49   91.611  1639.85   99.556   41.164   1.1465   40.839   1.2558 0.3250504 1.700440 
1 1 1   23   26    9 o   15.130   1.9513  238.128   55.558  186.890   74.911  300.766   82.826   13.125   3.0049   17.134   2.4903 -4.008494 3.902695 
1 1 1   23   26   10 o   27.023   1.1678  736.027   60.281  786.983   80.349  670.417   91.173   28.179   1.4689   25.867   1.8157 2.311516 2.335508 
1 1 1   23   26   11 o   35.550   1.3325  1290.61   90.406  1390.49  120.701  1162.96  136.449   37.282   1.6678   33.818   2.0785 3.463924 2.664929 
1 1 1   23   26   12 o   6.9465   2.3123 -82.8128   79.173 -77.0911  103.344 -90.9424  123.185   6.6791   3.1362   7.2139   3.3988 -0.5348330 4.624665 
1 1 1   23   27    0 o   35.206   0.7634  1211.30   52.108  1229.14   72.262  1191.97   75.211   35.483   1.0491   34.930   1.1092 0.5524635 1.526763 
1 1 1   23   27    1 o   49.140   0.7126  2356.80   67.855  2352.33   93.202  2361.85   98.983   49.099   0.9779   49.182   1.0368 -0.8293915E-01 1.425196 
1 1 1   23   27    2 o   21.656   1.2417  462.221   52.095  443.150   70.973  484.497   76.706   21.180   1.7262   22.133   1.7854 -0.9525528 2.483454 
1 1 1   23   27    3 o   38.855   0.7866  1472.34   59.093  1431.28   79.641  1522.64   88.144   38.265   1.0722   39.446   1.1511 -1.180958 1.573125 
1 1 1   23   27    4 o   22.921   1.1297  509.956   49.843  455.213   65.553  584.970   76.736   21.491   1.5713   24.350   1.6234 -2.858751 2.259341 
1 1 1   23   27    5 o   34.749   0.8642  1175.81   57.385  1141.35   74.375  1226.49   90.205   34.150   1.1219   35.347   1.3147 -1.196487 1.728322 
1 1 1   23   27    6 o   23.092   1.2001  527.798   53.656  520.477   73.089  536.354   79.019   22.934   1.6418   23.250   1.7508 -0.3165436 2.400183 
1 1 1   23   27    7 o   48.275   0.7809  2284.00   73.125  2285.97  101.552  2281.88  105.383   48.306   1.0830   48.245   1.1253 0.6110764E-01 1.561762 
1 1 1   23   27    8 o   25.369   1.1740  640.401   57.724  608.515   82.324  671.240   80.961   24.727   1.7151   26.011   1.6035 -1.283791 2.347928 
1 1 1   23   27    9 o   24.824   1.2496  609.973   59.926  540.191   80.683  695.836   89.498   23.247   1.7880   26.402   1.7463 -3.154964 2.499263 
1 1 1   23   27   10 o   14.269   2.4913  233.963   68.859  199.095  103.872  261.299   91.972   13.137   3.8347   15.402   3.1815 -2.265356 4.982687 
1 1 1   23   27   11 o   31.401   1.4527  1007.34   87.749  1029.47  117.457  979.386  132.005   31.901   1.8967   30.900   2.2007 1.001705 2.905308 
1 1 1   23   28    0 o   20.943   1.1849  428.872   47.958  390.117   64.347  477.301   71.931   19.889   1.6666   21.996   1.6846 -2.106710 2.369722 
1 1 1   23   28    1 o   30.105   0.9049  890.312   52.540  906.866   70.803  870.025   78.378   30.435   1.1984   29.774   1.3561 0.6606312 1.809762 
1 1 1   23   28    2 o   24.495   1.0599  590.146   49.838  587.933   65.720  593.141   76.454   24.466   1.3838   24.524   1.6060 -0.5801010E-01 2.119900 
1 1 1   23   28    3 o   8.5388   2.2333   58.158   51.481   92.979   68.994   14.420   77.325   9.6236   3.1784   7.4540   3.1381 2.169654 4.466554 
1 1 1   23   28    4 o   31.964   0.9377  1009.81   57.541  1056.61   77.025  950.714   86.557   32.839   1.2083   31.090   1.4342 1.748735 1.875386 
1 1 1   23   28    5 o   14.149   1.9091  211.879   50.746  321.227   73.791  113.766   69.898   17.908   2.1227   10.389   3.1737 7.519025 3.818163 
1 1 1   23   28    6 o   25.858   1.1351  661.450   56.943  648.302   78.963  675.694   82.191   25.595   1.5893   26.120   1.6210 -0.5250149 2.270121 
1 1 1   23   28    7 o   35.475   0.8742  1229.39   59.821  1172.27   79.537  1303.79   90.770   34.550   1.1859   36.400   1.2846 -1.849861 1.748337 
1 1 1   23   28    8 o   18.214   1.6617  338.541   58.239  342.090   77.755  334.005   87.901   18.384   2.1789   18.044   2.5095 0.3392906 3.323395 
1 1 1   23   28    9 o   22.920   1.3419  528.011   59.647  530.363   82.709  525.461   86.102   22.991   1.8532   22.848   1.9413 0.1427708 2.683853 
1 1 1   23   28   10 o   8.6683   2.5993   21.814   75.751 -18.6482   98.372   80.760  118.733   7.4072   3.3177   9.9295   4.0024 -2.522343 5.198678 
1 1 1   23   28   11 o   33.976   1.4480  1154.71   92.541  1088.44  115.945  1271.02  153.606   32.833   1.8192   35.119   2.2532 -2.285740 2.895932 
1 1 1   23   29    0 o   17.959   1.3387  316.882   46.184  258.740   62.355  387.537   68.738   16.131   1.9913   19.787   1.7896 -3.656342 2.677312 
1 1 1   23   29    1 o   8.2309   2.2086   52.890   49.036   67.209   66.517   35.846   72.571   8.6321   3.1084   7.8298   3.1385 0.8023343 4.417296 
1 1 1   23   29    2 o   39.030   0.8094  1492.80   60.992  1512.43   82.420  1469.03   90.682   39.332   1.0795   38.728   1.2062 0.6032448 1.618739 
1 1 1   23   29    3 o   6.4315   1.9945 -12.1289   48.188   6.1206   66.370 -32.4750   70.079   6.7677   2.8809   6.0954   2.7589 0.6722565 3.988904 
1 1 1   23   29    4 o   23.547   1.1566  542.990   52.385  511.508   68.817  586.370   80.780   22.764   1.5573   24.331   1.7103 -1.567024 2.313124 
1 1 1   23   29    5 o   19.501   1.4264  376.879   52.788  363.709   67.391  397.790   84.917   19.120   1.8158   19.882   2.2003 -0.7620564 2.852776 
1 1 1   23   29    6 o   27.319   1.0474  738.876   55.423  769.771   77.024  705.705   79.810   27.931   1.4206   26.706   1.5395 1.225527 2.094809 
1 1 1   23   29    7 f   20.952   1.4344  440.982   57.857  369.840   79.940  519.239   83.842   19.134   2.1523   22.771   1.8968 -3.637550 2.868803 
1 1 1   23   29    8 o   9.0377   2.3729   72.616   57.700  106.087   76.519   28.498   87.850   10.034   3.3488   8.0412   3.3627 1.992827 4.745755 
1 1 1   23   29    9 o   27.046   1.2921  730.144   67.631  801.932  100.296  670.285   91.585   28.257   1.8285   25.835   1.8262 2.422237 2.584249 
1 1 1   23   29   10 o   7.4749   2.4095 -35.2390   76.647 -30.9742  101.577 -40.8780  116.801   7.2882   3.3079   7.6617   3.5042 -0.3735075 4.818943 
1 1 1   23   30    0 o   19.875   1.2418  386.524   47.644  348.203   63.522  435.807   72.037   18.764   1.7440   20.986   1.7683 -2.222610 2.483601 
1 1 1   23   30    1 o   24.949   1.0352  607.993   49.958  556.017   67.420  671.280   74.395   23.775   1.4608   26.122   1.4671 -2.346828 2.070395 
1 1 1   23   30    2 o   9.1983   1.9886   69.673   48.198  158.845   66.472 -29.1843   69.989   12.243   2.8502   6.1534   2.7737 6.089763 3.977103 
1 1 1   23   30    3 o   9.4157   2.2863   82.197   49.738   62.351   63.439  113.859   80.128   8.3499   3.0313   10.481   3.4235 -2.131618 4.572665 
1 1 1   23   30    4 o   9.5098   2.1729   91.961   49.457  133.378   64.473   32.749   77.090   11.162   2.9362   7.8576   3.2039 3.304402 4.345821 
1 1 1   23   30    5 o   7.2297   2.1492   14.516   51.262   0.8394   70.192   30.149   75.043   6.7659   2.9226   7.6935   3.1518 -0.9275489 4.298303 
1 1 1   23   30    6 o   34.589   0.9585  1179.47   64.152  1177.13   87.296  1182.21   94.592   34.573   1.3007   34.605   1.4082 -0.3157043E-01 1.916978 
1 1 1   23   30    7 o   16.305   1.9119  283.493   57.832  314.623   77.724  244.882   86.562   17.588   2.2765   15.021   3.0723 2.567259 3.823792 
1 1 1   23   30    8 o   31.272   1.1766  989.616   70.127  880.328  105.937  1074.86   93.562   29.617   1.8426   32.927   1.4638 -3.309467 2.353291 
1 1 1   23   30    9 o   10.482   2.7831   73.079   77.119   5.3308   94.022  212.368  134.814   7.6843   3.3505   13.280   4.4450 -5.596188 5.566298 
1 1 1   23   30   10 o   26.765   1.6303  745.338   83.222  772.463  109.523  708.279  128.017   27.515   2.0505   26.014   2.5351 1.500717 3.260548 
1 1 1   23   31    0 o   17.830   1.3627  313.619   46.896  270.582   63.653  364.709   69.354   16.488   1.9888   19.171   1.8636 -2.683277 2.725485 
1 1 1   23   31    1 o   24.140   1.0749  573.462   49.858  567.754   65.835  581.138   76.345   24.025   1.4117   24.255   1.6215 -0.2302704 2.149859 
1 1 1   23   31    2 o   23.361   1.1789  570.340   50.283  671.532   65.229  422.139   78.939   26.150   1.2850   20.571   1.9768 5.579580 2.357770 
1 1 1   23   31    3 o   20.867   1.2847  432.327   51.939  396.918   71.907  470.954   75.104   19.964   1.8555   21.769   1.7773 -1.805155 2.569356 
1 1 1   23   31    4 o   36.706   0.8598  1326.28   61.110  1387.37   84.891  1260.57   88.040   37.603   1.1630   35.808   1.2666 1.795361 1.719526 
1 1 1   23   31    5 o   10.324   2.3185  112.100   54.625  151.851   74.737   66.509   80.039   11.796   3.1880   8.8523   3.3674 2.944054 4.637054 
1 1 1   23   31    6 f   24.500   1.1932  594.322   56.195  574.567   73.967  621.290   86.422   24.058   1.5838   24.942   1.7849 -0.8842010 2.386312 
1 1 1   23   31    7 o   15.019   2.0581  257.747   56.973  332.723   75.567  158.996   86.725   18.112   2.1493   11.927   3.5104 6.184958 4.116106 
1 1 1   23   31    8 o   12.946   2.5867  204.978   74.268  271.054   92.960   88.387  123.483   15.681   3.1630   10.211   4.0937 5.469966 5.173323 
1 1 1   23   31    9 o   28.246   1.5440  827.337   83.467  899.346  112.758  740.055  124.141   29.774   1.9510   26.718   2.3936 3.055803 3.087942 
1 1 1   23   32    0 o   18.931   1.3039  353.896   47.455  340.851   62.432  371.745   73.031   18.546   1.7342   19.317   1.9477 -0.7704277 2.607812 
1 1 1   23   32    1 o   18.979   1.2854  357.722   47.066  355.139   63.072  360.967   70.701   18.926   1.7167   19.032   1.9137 -0.1061573 2.570870 
1 1 1   23   32    2 o   21.382   1.2966  453.500   53.647  435.150   72.508  475.695   79.743   20.919   1.7855   21.844   1.8806 -0.9243622 2.593228 
1 1 1   23   32    3 o   20.180   1.4096  417.013   53.758  503.789   74.274  321.539   77.907   22.521   1.6989   17.840   2.2497 4.681738 2.819148 
1 1 1   23   32    4 o   23.171   1.2270  540.081   54.505  584.288   73.683  486.659   81.000   24.284   1.5631   22.058   1.8917 2.225822 2.453941 
1 1 1   23   32    5 o   13.468   2.0815  191.512   52.615  159.193   69.119  236.046   81.135   12.113   2.9638   14.824   2.9235 -2.710892 4.163022 
1 1 1   23   32    6 o   28.090   1.1322  788.676   61.352  834.278   83.935  736.361   89.901   29.011   1.4904   27.169   1.7046 1.842636 2.264318 
1 1 1   23   32    7 o   20.623   1.6871  426.715   66.673  507.967  104.954  371.738   86.332   22.205   2.4349   19.040   2.3358 3.165562 3.374135 
1 1 1   23   32    8 o   23.746   1.9038  616.511   81.993  681.661  103.507  506.763  134.341   25.878   2.0605   21.614   3.2019 4.264393 3.807578 
1 1 1   23   32    9 o   32.311   1.3901  1045.83   86.199  964.607  112.202  1162.82  134.655   30.870   1.8724   33.752   2.0552 -2.881666 2.780263 
1 1 1   23   33    0 o   22.951   1.1146  525.095   49.231  572.024   67.555  471.945   71.893   24.087   1.4448   21.815   1.6978 2.272785 2.229297 
1 1 1   23   33    1 o   6.3749   1.9477 -24.6151   48.719   38.968   66.377 -98.8718   71.732   7.6389   3.0212   5.1109   2.4588 2.527953 3.895350 
1 1 1   23   33    2 o   24.827   1.1466  609.717   55.002  596.617   73.970  625.917   82.259   24.552   1.5521   25.103   1.6881 -0.5511475 2.293164 
1 1 1   23   33    3 o   6.8394   2.1062  -3.6188   52.240 -12.0393   70.696   6.5093   77.533   6.4866   2.8641   7.1922   3.0889 -0.7056427 4.212453 
1 1 1   23   33    4 o   19.488   1.4832  384.114   55.735  392.393   75.192  374.017   83.034   19.768   1.9594   19.207   2.2271 0.5617294 2.966351 
1 1 1   23   33    5 o   36.989   0.9559  1356.60   68.129  1404.98   91.996  1297.84  101.386   37.766   1.2549   36.212   1.4423 1.553974 1.911828 
1 1 1   23   33    6 o   21.524   1.6097  457.744   65.875  611.489  103.320  352.439   85.509   24.518   2.1709   18.529   2.3773 5.988758 3.219352 
1 1 1   23   33    7 o   8.1601   2.5459   2.7410   77.167   15.302   96.937 -18.9893  127.498   7.9776   3.4403   8.3426   3.7537 -0.3649936 5.091747 
1 1 1   23   33    8 o   10.927   2.6815  131.953   73.251  180.404   97.544   69.296  110.926   12.419   3.7392   9.4339   3.8446 2.985551 5.363087 
1 1 1   23   34    0 f   9.4230   2.2291   86.116   48.493   59.610   64.673  120.155   73.290   8.2455   3.0498   10.601   3.2517 -2.354969 4.458157 
1 1 1   23   34    1 o   7.3501   2.1263   23.262   48.578   2.0317   65.551   49.125   72.351   6.5759   2.8325   8.1242   3.1721 -1.548272 4.252649 
1 1 1   23   34    2 o   31.414   0.9382  965.841   56.649  927.667   74.429  1018.41   87.338   30.708   1.2486   32.119   1.4008 -1.411297 1.876477 
1 1 1   23   34    3 o   30.218   1.0676  909.760   61.870  942.699   82.343  867.054   93.760   30.903   1.3727   29.533   1.6355 1.369507 2.135168 
1 1 1   23   34    4 o   17.856   1.7338  335.731   57.160  404.791   79.683  262.519   82.043   20.026   2.0497   15.686   2.7969 4.339989 3.467597 
1 1 1   23   34    5 o   7.0745   2.2114 -11.4347   60.025 -28.0611   84.674   5.3605   85.103   6.7430   3.0441   7.4060   3.2086 -0.6630049 4.422836 
1 1 1   23   34    6 o   9.8524   2.5657   84.337   74.059  161.452   94.237 -40.2102  119.762   11.897   3.6935   7.8073   3.5621 4.090137 5.131379 
1 1 1   23   34    7 o   22.021   1.8517  509.079   78.954  506.246  107.878  512.346  115.865   22.014   2.5244   22.028   2.7097 -0.1378822E-01 3.703397 
1 1 1   23   35    0 o   8.2556   2.1236   54.960   45.243   24.026   60.243   94.976   68.518   6.9282   2.8294   9.5831   3.1675 -2.654943 4.247231 
1 1 1   23   35    1 o   32.477   0.8848  1042.21   55.178  1069.19   73.430  1007.22   83.628   32.998   1.1464   31.957   1.3481 1.041071 1.769603 
1 1 1   23   35    2 o   27.143   1.0996  728.974   57.777  705.531   78.358  756.907   85.531   26.682   1.5129   27.604   1.5962 -0.9222412 2.199212 
1 1 1   23   35    3 o   9.8173   2.4091   97.534   55.863   84.457   74.597  114.231   84.293   9.2527   3.2960   10.382   3.5146 -1.129272 4.818275 
1 1 1   23   35    4 o   23.746   1.4426  569.059   66.380  617.961   96.227  524.661   91.689   24.733   2.0042   22.758   2.0755 1.975750 2.885252 
1 1 1   23   35    5 o   18.328   2.2693  368.831   75.449  375.290   95.023  357.811  124.111   18.988   2.5780   17.669   3.7354 1.319145 4.538668 
1 1 1   23   35    6 o   13.287   2.7105  208.712   73.964  221.961  101.433  193.667  108.087   13.782   3.7095   12.792   3.9531 0.9900837 5.421015 
1 1 1   23   35    7 o   9.3004   2.7195   55.783   77.534   32.968   97.416   95.213  128.066   8.3018   3.5101   10.299   4.1548 -1.997155 5.439087 
1 1 1   23   36    0 o   19.680   1.3602  403.340   49.769  496.920   67.594  292.538   73.551   22.381   1.5558   16.979   2.2316 5.401804 2.720401 
1 1 1   23   36    1 o   8.1482   2.1739   36.139   51.689 -25.3508   70.290  108.550   76.276   6.1728   2.7813   10.124   3.3418 -3.950735 4.347849 
1 1 1   23   36    2 o   5.7676   1.9027 -64.2270   53.494 -27.5499   70.866 -112.8082   81.559   6.1480   2.7793   5.3872   2.5993 0.7608056 3.805410 
1 1 1   23   36    3 o   29.202   1.2203  852.359   68.874  860.393  102.448  845.732   93.036   29.289   1.8019   29.116   1.6461 0.1726837 2.440605 
1 1 1   23   36    4 o   22.442   1.7097  519.707   74.121  515.626   99.964  524.690  110.468   22.409   2.2980   22.474   2.5322 -0.6475639E-01 3.419451 
1 1 1   23   36    5 o   26.523   1.6139  711.886   81.353  664.280  103.601  788.457  131.389   25.510   2.0921   27.536   2.4581 -2.025944 3.227865 
1 1 1   23   36    6 o   12.818   2.6764  203.376   74.987  249.339   93.388  119.952  125.813   14.825   3.3268   10.811   4.1935 4.014250 5.352874 
1 1 1   23   37    0 o   21.118   1.2289  444.189   50.268  405.914   69.146  487.093   73.207   20.146   1.7681   22.091   1.7072 -1.944870 2.457783 
1 1 1   23   37    1 o   25.912   1.1560  670.059   58.053  630.165   82.384  709.407   81.817   25.122   1.6894   26.702   1.5784 -1.580181 2.312013 
1 1 1   23   37    2 o   25.121   1.5022  645.991   72.661  695.993   99.571  589.030  106.274   26.256   1.9536   23.986   2.2825 2.270287 3.004413 
1 1 1   23   37    3 f   27.359   1.4713  769.442   76.109  801.661   98.602  721.949  119.714   28.234   1.7990   26.484   2.3286 1.750154 2.942582 
1 1 1   23   37    4 o   14.191   2.7062  236.194   74.873  232.514   95.057  242.208  121.526   14.244   3.4699   14.138   4.1538 0.1065292 5.412414 
1 1 1   23   37    5 o   11.870   2.8355  165.413   77.211  175.897   98.185  148.422  124.990   12.256   3.7644   11.484   4.2414 0.7716856 5.671007 
1 1 1   23   38    0 o   18.212   1.7611  337.870   61.668  281.606   82.298  409.915   93.126   16.470   2.5741   19.954   2.4042 -3.484043 3.522205 
1 1 1   23   38    1 o   14.112   2.3259  224.441   62.575  242.444   85.607  203.785   91.696   14.844   3.0721   13.379   3.4930 1.464797 4.651778 
1 1 1   23   38    2 o   7.8702   2.4083   11.996   67.926   28.122   92.933  -6.5001   99.530   8.1022   3.4272   7.6382   3.3842 0.4640141 4.816504 
1 1 1   23   38    3 o   18.507   2.2272  383.131   76.030  426.318  101.275  327.359  115.090   20.162   2.5877   16.852   3.6257 3.309521 4.454450 
1 1 1   23   38    4 o   23.355   1.7661  558.324   79.217  488.878  103.348  657.247  123.347   21.656   2.4585   25.054   2.5362 -3.398319 3.532177 
1 1 1   23   39    0 o   15.617   2.1148  263.841   61.380  237.875   81.227  298.405   93.717   14.740   2.9419   16.494   3.0389 -1.754532 4.229645 
1 1 1   23   39    1 o   11.875   2.3226  159.841   62.447  249.376   85.561   57.777   91.351   15.021   3.0387   8.7285   3.5133 6.292585 4.645132 
1 1 1   23   39    2 o   8.2554   2.3674   12.217   67.605  114.016   94.369 -95.1130   96.898   10.306   3.7033   6.2047   2.9501 4.101389 4.734739 
1 1 1   23   40    0 o   12.733   2.4745  186.846   62.703  185.626   83.186  188.452   95.418   12.761   3.3247   12.704   3.6659 0.5701923E-01 4.948990 
1 1 1   24    0    0 o   11.307   3.0373  161.750   69.088   91.056   90.719  259.362  106.601   7.9815   4.2736   14.633   4.3171 -0.000000 0.000000 
1 1 1   24    0    1 o   45.454   1.0124  2000.09   87.592  1929.12  112.941  2107.21  138.753   44.469   1.3109   46.438   1.5431 -0.000000 0.000000 
1 1 1   24    0    2 o   31.217   1.2354  949.781   73.091  910.649   94.289  1008.70  115.699   30.445   1.6056   31.989   1.8780 -0.000000 0.000000 
1 1 1   24    0    3 o   60.267   1.0198  3544.97  118.910  3574.21  163.448  3512.09  173.314   60.541   1.3925   59.992   1.4903 -0.000000 0.000000 
1 1 1   24    0    4 o   72.979   1.0800  5199.17  152.590  5236.23  210.178  5157.87  221.888   73.267   1.4792   72.692   1.5741 -0.000000 0.000000 
1 1 1   24    0    5 o   16.136   2.6810  303.809   69.798  323.050   87.956  271.085  114.705   17.499   2.8056   14.773   4.5693 -0.000000 0.000000 
1 1 1   24    0    6 o   22.757   1.6709  514.352   71.075  445.171   93.110  610.949  110.023   20.901   2.3740   24.613   2.3521 -0.000000 0.000000 
1 1 1   24    0    7 o   7.4126   2.8786   68.719   67.719  121.174   87.028 -11.7849  107.814   9.0313   4.3202   5.7939   3.8054 -0.000000 0.000000 
1 1 1   24    0    8 o   34.494   1.1782  1165.89   76.810  1142.27   98.584  1202.38  122.533   34.098   1.4959   34.890   1.8205 -0.000000 0.000000 
1 1 1   24    0    9 o   4.4073   2.1947 -109.2313   72.918 -89.2503   94.205 -139.0939  115.168   4.3232   3.0238   4.4915   3.1817 -0.000000 0.000000 
1 1 1   24    0   10 o   18.326   2.2931  355.071   72.708  316.400   92.944  416.054  116.718   17.052   3.1154   19.600   3.3656 -0.000000 0.000000 
1 1 1   24    0   11 o   40.842   1.2048  1683.11   90.807  1789.14  114.988  1507.42  148.022   42.708   1.3903   38.975   1.9679 -0.000000 0.000000 
1 1 1   24    0   12 f   6.7656   2.7231   22.784   73.542  126.376   91.259 -169.1008  124.203   9.0574   4.4118   4.4739   3.1932 -0.000000 0.000000 
1 1 1   24    0   13 o   9.5172   3.3210  145.951   78.755  175.492   95.736   84.111  138.514   10.981   4.5302   8.0530   4.8574 -0.000000 0.000000 
1 1 1   24    0   14 o   10.332   3.5576  169.371   81.902  162.177  102.197  182.289  136.936   10.203   4.6989   10.460   5.3429 -0.000000 0.000000 
1 1 1   24    1    0 o   25.882   1.0373  653.768   52.098  630.946   72.940  677.538   74.438   25.420   1.4782   26.344   1.4556 -0.9242496 2.074543 
1 1 1   24    1    1 o   9.3926   2.2736   81.359   50.081   92.244   70.756   70.432   70.896   9.7829   3.2181   9.0023   3.2125 0.7805824 4.547133 
1 1 1   24    1    2 o   33.811   0.8479  1114.14   55.641  1097.90   77.749  1131.18   79.661   33.560   1.1935   34.063   1.2048 -0.5035782 1.695821 
1 1 1   24    1    3 f   18.256   1.4606  326.607   51.577  290.336   70.744  367.763   75.357   17.171   2.1224   19.340   2.0073 -2.169062 2.921244 
1 1 1   24    1    4 o   32.190   0.8933  1012.09   55.767  987.121   79.995  1035.70   77.783   31.798   1.2960   32.581   1.2299 -0.7824116 1.786641 
1 1 1   24    1    5 o   11.190   2.1231  127.515   48.975   78.530   67.826  180.876   70.792   9.1710   3.1520   13.208   2.8451 -4.037206 4.246111 
1 1 1   24    1    6 o   16.744   1.4793  282.404   47.131  227.625   68.394  331.940   65.038   15.131   2.3286   18.356   1.8252 -3.225430 2.958661 
1 1 1   24    1    7 o   11.729   2.0627  141.625   47.196  107.362   63.408  184.187   70.671   10.183   3.0029   13.276   2.8289 -3.092577 4.125488 
1 1 1   24    1    8 o   11.109   2.1909  130.601   49.189  142.302   68.450  118.106   70.734   11.592   3.0139   10.627   3.1807 0.9649124 4.381860 
1 1 1   24    1    9 o   31.546   0.8751  985.969   52.974  1101.15   72.819  856.495   77.206   33.552   1.1180   29.540   1.3464 4.012480 1.750107 
1 1 1   24    1   10 f   44.217   0.7647  1911.96   65.627  1950.89   93.795  1874.63   91.856   44.658   1.0820   43.776   1.0809 0.8812370 1.529419 
1 1 1   24    1   11 o   14.055   2.0603  210.597   54.301  209.389   74.771  211.945   78.989   14.039   2.8412   14.071   2.9844 -0.3189087E-01 4.120545 
1 1 1   24    1   12 o   23.687   1.2444  563.523   56.732  622.730   78.501  498.792   82.082   25.048   1.6145   22.325   1.8940 2.723389 2.488754 
1 1 1   24    1   13 o   12.834   2.1197  183.852   52.144  215.079   69.808  144.437   78.428   14.235   2.6229   11.433   3.3307 2.802629 4.239439 
1 1 1   24    1   14 o   16.021   1.8252  270.365   54.933  225.868   76.025  318.979   79.465   14.436   2.8141   17.606   2.3252 -3.170068 3.650424 
1 1 1   24    2    0 o   50.381   0.7107  2471.39   69.467  2567.68   98.229  2375.05   98.253   51.365   0.9852   49.396   1.0247 1.969654 1.421448 
1 1 1   24    2    1 o   39.199   0.7591  1496.40   57.732  1431.01   81.223  1563.17   82.075   38.331   1.0916   40.066   1.0553 -1.735527 1.518291 
1 1 1   24    2    2 o   26.916   0.9898  709.709   51.470  679.303   75.579  736.007   70.289   26.367   1.4766   27.464   1.3184 -1.096994 1.979576 
1 1 1   24    2    3 o   55.156   0.7173  2962.98   76.778  2877.69  108.432  3048.75  108.729   54.358   1.0276   55.955   1.0010 -1.597179 1.434583 
1 1 1   24    2    4 o   86.835   0.8361  7351.99  140.897  7434.71  202.261  7274.01  196.385   87.305   1.1935   86.364   1.1714 0.9408798 1.672286 
1 1 1   24    2    5 o   18.544   1.3684  339.862   48.835  286.867   68.539  394.508   69.599   17.050   2.0708   20.037   1.7894 -2.986275 2.736838 
1 1 1   24    2    6 o   29.878   0.9033  874.520   52.205  895.142   71.406  850.841   76.516   30.268   1.2153   29.489   1.3367 0.7789917 1.806567 
1 1 1   24    2    7 o   33.148   0.8211  1073.25   52.766  1084.61   76.763  1063.07   72.651   33.309   1.1872   32.987   1.1346 0.3222809 1.642184 
1 1 1   24    2    8 o   5.7013   1.8489 -43.4890   46.773 -22.6271   62.083 -70.8743   71.130   5.8973   2.6389   5.5052   2.5904 0.3921261 3.697845 
1 1 1   24    2    9 f   24.506   1.6261  655.210   64.992  714.362   76.192  497.209  124.525   26.952   1.4563   22.060   2.9080 4.892199 3.252258 
1 1 1   24    2   10 o   47.153   0.7520  2188.08   68.341  2328.41   93.295  2025.60  100.392   48.820   0.9845   45.485   1.1370 3.334335 1.503975 
1 1 1   24    2   11 o   30.534   0.9624  912.494   56.876  839.008   77.080  1000.32   84.268   29.192   1.3602   31.875   1.3619 -2.682552 1.924837 
1 1 1   24    2   12 o   30.140   0.9573  888.837   55.618  952.474   84.805  840.806   73.675   31.060   1.4065   29.219   1.2989 1.841148 1.914562 
1 1 1   24    2   13 o   30.793   0.9780  934.740   58.187  964.094   87.118  911.099   78.183   31.206   1.4382   30.381   1.3257 0.8249359 1.955960 
1 1 1   24    2   14 o   16.389   1.9201  297.702   56.881  208.489   84.246  372.443   77.111   13.646   3.2305   19.133   2.0762 -5.487645 3.840150 
1 1 1   24    3    0 o   74.115   0.7631  5348.50  109.786  5381.57  156.194  5316.22  154.343   74.341   1.0824   73.890   1.0761 0.4513397 1.526240 
1 1 1   24    3    1 o   45.632   0.9167  2011.78   75.820  2084.86  134.900  1978.04   91.668   46.194   1.5044   45.071   1.0477 1.122227 1.833301 
1 1 1   24    3    2 o   20.994   1.2550  432.394   50.996  437.894   69.760  426.081   74.735   21.146   1.6994   20.842   1.8472 0.3039169 2.510022 
1 1 1   24    3    3 o   53.501   0.7166  2788.05   74.407  2833.34  104.785  2741.99  105.676   53.942   1.0007   53.061   1.0260 0.8810310 1.433202 
1 1 1   24    3    4 o   14.946   1.7140  222.687   48.400  192.979   65.686  257.979   71.592   13.736   2.5575   16.156   2.2827 -2.419839 3.428068 
1 1 1   24    3    5 o   43.426   0.7240  1839.12   60.985  1775.44   86.762  1901.31   85.740   42.678   1.0473   44.173   0.9999 -1.495235 1.447963 
1 1 1   24    3    6 o   53.339   0.7049  2770.83   72.927  2626.64  101.440  2925.09  104.917   51.901   1.0068   54.776   0.9867 -2.874348 1.409735 
1 1 1   24    3    7 o   13.495   1.9163  191.681   48.763  227.167   66.052  149.174   72.292   15.103   2.2530   11.888   3.1004 3.214242 3.832592 
1 1 1   24    3    8 o   25.832   1.0199  655.354   50.724  548.929   70.200  771.627   73.376   23.619   1.5311   28.046   1.3478 -4.427219 2.039813 
1 1 1   24    3    9 o   46.047   0.7413  2075.14   66.104  2123.56   91.045  2021.15   96.134   46.628   1.0059   45.466   1.0893 1.162827 1.482645 
1 1 1   24    3   10 o   40.346   0.8017  1596.41   62.675  1674.42   87.690  1514.94   89.613   41.368   1.0920   39.324   1.1739 2.043850 1.603319 
1 1 1   24    3   11 o   19.915   1.3032  394.921   50.366  404.795   72.239  385.580   70.258   20.156   1.8463   19.674   1.8397 0.4823971 2.606390 
1 1 1   24    3   12 o   16.364   1.7003  274.373   53.700  293.842   74.107  252.848   77.924   17.030   2.2417   15.698   2.5571 1.331584 3.400587 
1 1 1   24    3   13 o   19.515   2.3470  525.685   66.359  618.946   76.267  235.072  134.631   24.954   1.5745   14.076   4.4221 10.87758 4.694037 
1 1 1   24    3   14 o   8.3917   2.0553   8.3545   56.758  157.394   78.923 -151.3030   81.686   11.821   3.3087   4.9626   2.4391 6.858099 4.110592 
1 1 1   24    4    0 o   34.977   0.7968  1191.79   54.007  1193.75   74.285  1189.58   78.658   35.011   1.0930   34.943   1.1596 0.6854248E-01 1.593548 
1 1 1   24    4    1 o   62.045   0.7116  3746.09   85.674  3690.17  119.354  3805.54  123.055   61.569   0.9986   62.522   1.0139 -0.9522820 1.423132 
1 1 1   24    4    2 o   66.463   0.7356  4301.87   94.892  4233.41  133.918  4370.90  134.479   65.931   1.0464   66.995   1.0341 -1.064758 1.471108 
1 1 1   24    4    3 o   63.165   0.7186  3885.35   88.110  3857.42  123.853  3913.97  125.373   62.936   1.0138   63.395   1.0188 -0.4585304 1.437252 
1 1 1   24    4    4 o   25.679   1.0598  647.120   52.621  707.035   74.045  585.982   74.797   26.894   1.4183   24.464   1.5750 2.430521 2.119515 
1 1 1   24    4    5 o   32.396   0.8833  1024.64   55.523  981.994   77.847  1068.80   79.212   31.707   1.2648   33.084   1.2334 -1.376806 1.766628 
1 1 1   24    4    6 o   32.313   0.8602  1021.40   53.745  1033.12   73.109  1007.62   79.280   32.525   1.1579   32.100   1.2723 0.4245186 1.720339 
1 1 1   24    4    7 o   13.280   1.8694  184.025   47.004  235.220   66.073  131.567   66.883   15.373   2.2141   11.188   3.0126 4.184957 3.738735 
1 1 1   24    4    8 o   32.992   0.8845  1068.12   56.543  1125.05   79.251  1009.10   80.697   33.900   1.2043   32.084   1.2957 1.815983 1.768949 
1 1 1   24    4    9 o   30.997   0.8972  935.016   53.748  825.618   72.842  1065.76   79.634   29.015   1.2933   32.978   1.2440 -3.963503 1.794448 
1 1 1   24    4   10 o   24.421   1.1496  584.503   54.268  534.912   72.843  646.359   81.354   23.270   1.6126   25.572   1.6389 -2.302101 2.299275 
1 1 1   24    4   11 o   20.216   1.4028  411.690   54.599  438.657   74.345  380.116   80.444   20.987   1.8249   19.446   2.1310 1.540363 2.805642 
1 1 1   24    4   12 o   12.962   2.0899  182.304   53.852  247.960   75.443  114.096   76.895   15.563   2.4972   10.361   3.3517 5.201902 4.179760 
1 1 1   24    4   13 o   21.086   1.3490  447.901   55.076  427.925   79.553  466.288   76.324   20.602   1.9892   21.570   1.8228 -0.9682465 2.698066 
1 1 1   24    4   14 o   20.124   1.4292  412.225   55.514  401.200   82.293  421.432   75.203   19.824   2.1385   20.425   1.8967 -0.6014328 2.858483 
1 1 1   24    5    0 o   39.192   0.7612  1492.51   57.848  1574.42   84.128  1419.06   79.672   40.209   1.0778   38.174   1.0752 2.035080 1.522399 
1 1 1   24    5    1 o   27.887   0.9684  758.324   52.393  736.304   72.644  782.196   75.636   27.467   1.3625   28.308   1.3764 -0.8414116 1.936730 
1 1 1   24    5    2 o   53.790   0.7070  2817.48   73.810  2866.99  104.247  2767.72  104.520   54.266   0.9896   53.315   1.0099 0.9511719 1.413965 
1 1 1   24    5    3 o   18.842   1.3380  346.580   48.770  324.049   65.731  374.173   72.742   18.168   1.8638   19.516   1.9202 -1.347776 2.675983 
1 1 1   24    5    4 o   22.856   1.1214  511.595   49.751  506.825   70.164  516.418   70.555   22.749   1.5889   22.964   1.5828 -0.2150764 2.242708 
1 1 1   24    5    5 o   27.295   0.9139  728.700   48.356  711.164   69.705  744.968   67.138   26.972   1.3313   27.617   1.2523 -0.6449184 1.827785 
1 1 1   24    5    6 o   52.314   0.7120  2670.87   72.250  2767.74  101.613  2571.83  102.751   53.280   0.9825   51.348   1.0309 1.932007 1.424052 
1 1 1   24    5    7 o   52.174   0.7197  2656.84   72.876  2712.20  103.045  2601.44  103.080   52.721   1.0069   51.628   1.0286 1.093761 1.439345 
1 1 1   24    5    8 o   12.292   2.0853  158.201   50.214  107.237   68.736  216.527   73.532   10.178   3.1536   14.406   2.7294 -4.227958 4.170681 
1 1 1   24    5    9 o   14.269   1.9220  209.167   51.809  160.621   70.700  265.472   76.141   12.293   2.9912   16.245   2.4145 -3.951916 3.844057 
1 1 1   24    5   10 o   9.3477   2.2656   84.184   51.639  116.225   69.253   44.059   77.498   10.491   3.1489   8.2045   3.2583 2.286311 4.531260 
1 1 1   24    5   11 o   15.569   1.7240  251.604   49.524  322.250   71.242  185.540   68.892   17.926   2.0473   13.212   2.7744 4.713565 3.448046 
1 1 1   24    5   12 f   12.656   2.0055  169.337   50.966  256.441   74.144   91.315   70.173   15.853   2.4094   9.4588   3.2067 6.393804 4.011001 
1 1 1   24    5   13 o   13.949   2.1511  212.608   56.632  197.839   79.755  227.628   80.430   13.412   3.1218   14.486   2.9602 -1.074141 4.302130 
1 1 1   24    5   14 o   15.554   2.0504  265.617   59.528  185.658   83.976  346.379   84.396   12.799   3.3434   18.309   2.3746 -5.510001 4.100862 
1 1 1   24    6    0 o   38.880   0.7459  1475.10   56.168  1536.33   77.937  1408.93   81.019   39.727   1.0106   38.034   1.0974 1.692898 1.491844 
1 1 1   24    6    1 o   56.009   0.7122  3054.58   77.413  2970.30  109.363  3139.21  109.593   55.233   1.0200   56.786   0.9942 -1.553215 1.424391 
1 1 1   24    6    2 o   20.469   1.3207  417.486   51.101  528.569   72.559  308.171   71.980   23.241   1.6083   17.696   2.0954 5.545263 2.641495 
1 1 1   24    6    3 o   46.466   0.7236  2102.47   65.209  2092.55   90.205  2113.32   94.377   46.354   1.0025   46.577   1.0438 -0.2228470 1.447248 
1 1 1   24    6    4 o   63.354   0.7250  3910.33   89.141  3895.44  124.637  3925.92  127.542   63.233   1.0154   63.476   1.0351 -0.2422638 1.449983 
1 1 1   24    6    5 o   39.167   0.7750  1493.80   58.875  1429.31   81.292  1564.94   85.380   38.280   1.0940   40.054   1.0981 -1.774357 1.550053 
1 1 1   24    6    6 o   19.243   1.3359  366.345   49.775  391.643   69.897  340.318   70.897   19.933   1.8065   18.554   1.9685 1.378647 2.671744 
1 1 1   24    6    7 o   10.414   2.2497  111.987   49.502  111.616   66.560  112.446   74.049   10.366   3.0815   10.461   3.2785 -0.9426594E-01 4.499352 
1 1 1   24    6    8 o   49.316   0.7409  2376.47   70.907  2382.12   99.267  2370.59  101.320   49.380   1.0356   49.253   1.0597 0.1271706 1.481731 
1 1 1   24    6    9 o   41.552   0.7853  1692.42   62.870  1720.73   84.341  1657.03   94.318   41.965   1.0354   41.139   1.1811 0.8254356 1.570627 
1 1 1   24    6   10 o   23.630   1.1588  552.558   53.111  573.630   74.790  531.120   75.435   24.095   1.5990   23.165   1.6776 0.9305706 2.317560 
1 1 1   24    6   11 o   11.168   2.2822  134.741   51.999  135.960   68.988  133.137   79.127   11.226   3.0751   11.111   3.3729 0.1151886 4.564305 
1 1 1   24    6   12 o   21.012   1.3756  437.930   55.516  357.970   74.679  536.704   83.001   18.858   2.0401   23.166   1.8457 -4.308134 2.751104 
1 1 1   24    6   13 o   19.211   1.4293  370.825   52.228  362.991   67.196  382.778   83.008   19.027   1.8193   19.394   2.2049 -0.3669014 2.858569 
1 1 1   24    6   14 o   17.370   1.7267  325.265   54.497  367.927   71.758  267.127   83.769   19.058   1.9396   15.681   2.8572 3.377303 3.453397 
1 1 1   24    7    0 o   43.427   0.7238  1836.69   60.980  1762.75   86.167  1910.87   86.311   42.548   1.0433   44.305   1.0036 -1.756794 1.447604 
1 1 1   24    7    1 o   59.259   0.7078  3418.85   81.417  3422.33  115.987  3415.47  114.314   59.288   1.0078   59.231   0.9942 0.5698013E-01 1.415691 
1 1 1   24    7    2 o   81.554   0.8044  6481.12  127.336  6370.49  178.772  6595.04  181.418   80.847   1.1391   82.260   1.1361 -1.413414 1.608838 
1 1 1   24    7    3 o   9.1734   2.0688   76.503   46.507   10.980   69.116  130.719   62.870   7.1104   2.9788   11.236   2.8716 -4.125912 4.137547 
1 1 1   24    7    4 o   7.4595   2.1160   25.981   47.178   46.884   68.342   6.9504   65.207   8.1049   3.1047   6.8142   2.8760 1.290711 4.232092 
1 1 1   24    7    5 o   29.899   0.9162  872.187   53.052  850.730   72.244  897.300   78.156   29.506   1.2613   30.292   1.3292 -0.7856026 1.832370 
1 1 1   24    7    6 o   25.537   1.0497  638.425   51.547  630.227   68.187  649.359   78.745   25.364   1.3849   25.710   1.5778 -0.3466473 2.099402 
1 1 1   24    7    7 o   34.837   0.8435  1184.61   56.971  1107.87   78.724  1268.99   82.551   33.652   1.2051   36.022   1.1806 -2.369667 1.687029 
1 1 1   24    7    8 o   30.365   0.9472  904.455   55.550  901.051   74.835  908.633   82.904   30.318   1.2716   30.413   1.4043 -0.9437752E-01 1.894425 
1 1 1   24    7    9 o   44.965   0.7453  1964.00   64.799  1845.54   87.038  2111.30   97.057   43.460   1.0317   46.470   1.0759 -3.010410 1.490646 
1 1 1   24    7   10 o   42.776   0.7836  1791.55   64.678  1791.55   86.895  1791.55   96.851   42.796   1.0460   42.755   1.1669 0.4062271E-01 1.567103 
1 1 1   24    7   11 f   30.298   0.9846  901.591   57.657  870.503   77.460  940.214   86.340   29.731   1.3421   30.865   1.4411 -1.133518 1.969269 
1 1 1   24    7   12 o   6.9547   2.1211   2.9617   52.326  -9.8498   75.552   14.772   72.539   6.7381   2.9688   7.1714   3.0304 -0.4333224 4.242259 
1 1 1   24    7   13 o   24.811   1.1688  616.828   55.993  556.462   80.236  674.135   78.176   23.581   1.7529   26.042   1.5465 -2.460878 2.337543 
1 1 1   24    7   14 o   10.297   2.3858  116.024   54.806  126.292   81.759  107.645   73.857   10.646   3.4572   9.9486   3.2886 0.6976881 4.771544 
1 1 1   24    8    0 o   25.556   0.9987  637.576   49.461  635.370   67.960  640.061   72.121   25.513   1.3722   25.599   1.4514 -0.8544159E-01 1.997349 
1 1 1   24    8    1 o   28.037   0.9675  769.175   52.504  832.572   74.007  704.933   74.499   29.211   1.3052   26.864   1.4286 2.346287 1.935040 
1 1 1   24    8    2 o   17.605   1.4506  308.268   49.011  346.917   67.675  265.638   71.074   18.800   1.8544   16.410   2.2311 2.389938 2.901138 
1 1 1   24    8    3 o   39.779   0.7660  1541.61   59.130  1484.33   82.861  1601.04   84.405   39.025   1.0938   40.534   1.0727 -1.508419 1.532044 
1 1 1   24    8    4 o   40.485   0.7780  1596.36   61.026  1569.88   83.447  1626.81   89.476   40.130   1.0712   40.841   1.1286 -0.7112312 1.556056 
1 1 1   24    8    5 o   34.334   0.8234  1151.42   54.855  1175.71   77.109  1126.52   78.054   34.705   1.1446   33.964   1.1839 0.7405434 1.646720 
1 1 1   24    8    6 o   19.314   1.3671  368.135   51.175  357.440   70.068  380.362   74.921   19.021   1.8977   19.608   1.9683 -0.5873375 2.734160 
1 1 1   24    8    7 o   19.799   1.4165  400.324   52.768  464.548   70.723  319.668   79.255   21.707   1.6784   17.890   2.2822 3.817614 2.832913 
1 1 1   24    8    8 o   14.370   1.7675  213.283   47.649  178.103   68.024  247.174   66.765   13.014   2.7773   15.726   2.1871 -2.712382 3.535070 
1 1 1   24    8    9 o   11.360   1.9172  133.075   52.842  249.561   71.087 -10.7786   78.997   15.766   2.3228   6.9547   3.0507 8.811209 3.834313 
1 1 1   24    8   10 o   8.0534   2.1182   40.788   50.129   99.125   66.878 -34.0156   75.730   9.7851   3.1217   6.3216   2.8641 3.463590 4.236492 
1 1 1   24    8   11 o   42.136   0.7701  1736.49   62.856  1688.58   85.649  1792.40   92.532   41.517   1.0627   42.755   1.1149 -1.237446 1.540275 
1 1 1   24    8   12 o   26.313   1.1089  683.987   56.508  639.585   76.836  736.293   83.394   25.391   1.5589   27.236   1.5774 -1.844999 2.217737 
1 1 1   24    8   13 f   27.646   1.0828  774.058   56.846  858.484   75.916  666.302   85.766   29.475   1.3268   25.816   1.7115 3.659588 2.165531 
1 1 1   24    8   14 o   13.613   2.1715  209.824   55.921  234.278   74.628  178.509   84.448   14.725   2.7107   12.500   3.3932 2.225418 4.343018 
1 1 1   24    9    0 o   43.399   0.7195  1833.96   60.609  1829.79   86.189  1838.05   85.248   43.350   1.0242   43.449   1.0107 -0.9946060E-01 1.438974 
1 1 1   24    9    1 o   39.359   0.7516  1507.59   57.395  1444.88   79.902  1574.45   82.499   38.513   1.0688   40.205   1.0571 -1.691364 1.503220 
1 1 1   24    9    2 o   40.414   0.7219  1589.89   56.615  1620.85   81.399  1560.88   78.796   40.793   1.0279   40.034   1.0139 0.7599030 1.443857 
1 1 1   24    9    3 o   17.761   1.3422  312.677   45.876  280.142   66.930  341.507   63.004   16.864   2.0445   18.657   1.7396 -1.793505 2.684474 
1 1 1   24    9    4 o   41.098   0.7523  1649.20   59.903  1695.78   82.926  1598.38   86.625   41.713   1.0241   40.484   1.1023 1.228863 1.504633 
1 1 1   24    9    5 o   33.151   0.8908  1076.60   57.092  1102.51   77.870  1046.48   83.953   33.595   1.1941   32.706   1.3223 0.8884735 1.781674 
1 1 1   24    9    6 o   35.611   0.8538  1239.65   58.809  1236.46   79.815  1243.43   86.984   35.572   1.1559   35.650   1.2569 -0.7828903E-01 1.707627 
1 1 1   24    9    7 o   39.124   0.7985  1496.97   60.419  1501.90   82.096  1491.15   89.241   39.207   1.0787   39.041   1.1775 0.1654053 1.596928 
1 1 1   24    9    8 o   28.408   1.0041  787.662   55.179  718.752   74.555  871.131   82.053   27.043   1.4202   29.772   1.4198 -2.729057 2.008181 
1 1 1   24    9    9 o   30.521   0.9372  912.653   55.253  896.795   74.258  932.322   82.702   30.240   1.2650   30.802   1.3831 -0.5622559 1.874387 
1 1 1   24    9   10 o   17.748   1.4602  314.731   50.158  282.987   69.374  349.501   72.605   16.795   2.1279   18.700   2.0001 -1.905195 2.920348 
1 1 1   24    9   11 o   7.3132   2.1866   14.827   53.327   17.692   72.225   11.394   79.071   7.2529   3.0421   7.3735   3.1418 -0.1206226 4.373224 
1 1 1   24    9   12 o   11.029   2.3200  133.232   54.307  160.300   74.962  103.333   78.784   12.083   3.1600   9.9746   3.3977 2.108512 4.640044 
1 1 1   24    9   13 o   23.819   1.2362  571.529   56.570  595.605   75.858  541.363   84.910   24.448   1.5984   23.190   1.8862 1.257807 2.472398 
1 1 1   24    9   14 o   28.292   1.0752  804.668   58.558  723.834   85.343  876.582   80.497   26.878   1.6357   29.705   1.3960 -2.826763 2.150409 
1 1 1   24   10    0 o   42.395   0.7406  1750.13   60.935  1733.98   85.226  1767.02   87.157   42.196   1.0405   42.594   1.0541 -0.3981285 1.481140 
1 1 1   24   10    1 o   50.698   0.7045  2500.57   69.299  2578.28   99.837  2428.33   96.267   51.457   0.9995   49.939   0.9930 1.517658 1.408950 
1 1 1   24   10    2 o   20.986   1.2399  433.163   50.361  459.513   70.176  405.184   72.313   21.656   1.6694   20.316   1.8337 1.340212 2.479728 
1 1 1   24   10    3 o   12.768   1.9625  165.551   48.554  119.108   67.012  216.878   70.447   10.751   3.0628   14.786   2.4545 -4.034386 3.924932 
1 1 1   24   10    4 o   18.872   1.3586  352.535   49.501  371.289   67.797  331.122   72.445   19.430   1.7975   18.315   2.0377 1.115236 2.717209 
1 1 1   24   10    5 o   44.673   0.7138  1948.41   61.827  2019.41   86.541  1874.40   88.360   45.511   0.9796   43.835   1.0384 1.676640 1.427550 
1 1 1   24   10    6 o   46.311   0.7536  2094.47   67.549  2100.88   92.125  2087.01   99.339   46.398   1.0228   46.224   1.1071 0.1749001 1.507283 
1 1 1   24   10    7 o   10.968   2.2809  126.846   52.220  144.990   72.492  107.276   75.287   11.683   3.1324   10.254   3.3165 1.428868 4.561870 
1 1 1   24   10    8 o   19.895   1.3751  394.922   52.768  411.500   71.700  375.332   77.941   20.383   1.8121   19.408   2.0688 0.9752979 2.750234 
1 1 1   24   10    9 o   25.566   1.0442  643.841   51.802  662.180   73.047  625.288   73.474   25.939   1.4507   25.193   1.5024 0.7455273 2.088496 
1 1 1   24   10   10 o   18.493   1.5046  340.034   53.083  326.014   68.409  361.253   84.155   18.068   1.9505   18.918   2.2916 -0.8505020 3.009257 
1 1 1   24   10   11 o   43.789   0.7684  1878.77   65.129  1866.84   88.689  1892.74   95.950   43.654   1.0466   43.924   1.1253 -0.2701759 1.536802 
1 1 1   24   10   12 o   32.183   0.9243  1020.32   57.708  989.145   79.929  1054.26   83.404   31.673   1.3000   32.694   1.3142 -1.020306 1.848545 
1 1 1   24   10   13 o   13.019   2.1341  186.520   55.801  114.613   79.113  257.711   78.719   10.290   3.4037   15.747   2.5752 -5.456856 4.268124 
1 1 1   24   10   14 o   10.378   2.3966  115.117   64.274   7.2692  101.297  187.799   83.158   7.9139   3.4634   12.843   3.3136 -4.928704 4.793250 
1 1 1   24   11    0 o   30.226   0.8314  891.001   48.741  881.101   70.163  900.235   67.760   30.061   1.2024   30.391   1.1486 -0.3307343 1.662813 
1 1 1   24   11    1 o   57.509   0.6880  3220.52   76.796  3152.50  108.662  3288.40  108.550   56.900   0.9838   58.118   0.9622 -1.217590 1.376086 
1 1 1   24   11    2 o   37.313   0.7635  1352.59   55.214  1454.49   80.604  1262.50   75.787   38.633   1.0748   35.992   1.0847 2.641285 1.527050 
1 1 1   24   11    3 o   18.749   1.3723  346.256   49.906  351.751   69.610  340.444   71.587   18.908   1.8965   18.590   1.9838 0.3182182 2.744503 
1 1 1   24   11    4 o   24.171   1.0985  565.214   51.182  490.603   68.164  661.651   77.496   22.364   1.5701   25.978   1.5368 -3.613407 2.197033 
1 1 1   24   11    5 f   20.449   1.3229  409.867   52.249  385.536   69.785  440.906   78.820   19.772   1.8182   21.125   1.9221 -1.352629 2.645800 
1 1 1   24   11    6 o   25.229   1.0717  624.147   52.432  592.031   72.330  659.709   76.113   24.546   1.5180   25.912   1.5132 -1.366043 2.143370 
1 1 1   24   11    7 o   17.474   1.5530  312.423   50.992  343.480   66.628  268.511   79.226   18.621   1.8433   16.326   2.4998 2.294786 3.105931 
1 1 1   24   11    8 o   13.193   1.9369  179.945   49.125  251.733   71.893  117.070   67.282   15.837   2.3386   10.549   3.0883 5.287590 3.873826 
1 1 1   24   11    9 o   23.876   1.1791  558.875   54.352  518.297   72.386  611.322   82.293   22.902   1.6283   24.851   1.7059 -1.948841 2.358268 
1 1 1   24   11   10 o   7.8490   2.1985   41.214   49.778   43.077   70.177   39.329   70.620   7.8967   3.1118   7.8013   3.1065 0.9540987E-01 4.397035 
1 1 1   24   11   11 o   9.1816   2.3016   81.553   51.742   96.070   72.477   66.463   73.891   9.6718   3.2590   8.6915   3.2510 0.9802952 4.603252 
1 1 1   24   11   12 o   33.986   0.9144  1140.98   59.899  1156.40   80.413  1121.76   89.780   34.279   1.2085   33.694   1.3727 0.5845261 1.828828 
1 1 1   24   11   13 o   12.121   2.2342  169.423   55.338  217.117   73.507  107.032   84.072   14.179   2.7700   10.063   3.5063 4.116243 4.468488 
1 1 1   24   11   14 o   10.893   2.8543  124.578   76.282  115.715   92.333  143.633  135.386   10.335   3.6685   11.450   4.3738 -1.115589 5.708573 
1 1 1   24   12    0 o   27.941   0.9432  762.913   51.105  785.820   71.378  738.820   73.202   28.376   1.2958   27.506   1.3710 0.8706551 1.886477 
1 1 1   24   12    1 o   30.933   0.8705  930.195   52.132  890.785   70.688  977.189   77.190   30.220   1.2050   31.645   1.2566 -1.424913 1.740983 
1 1 1   24   12    2 o   30.628   0.8849  912.035   52.349  881.792   70.119  950.118   78.686   30.063   1.2015   31.192   1.2995 -1.129217 1.769876 
1 1 1   24   12    3 o   31.744   0.8786  986.839   53.738  1008.60   72.210  959.828   80.448   32.151   1.1570   31.338   1.3225 0.8124199 1.757159 
1 1 1   24   12    4 o   24.350   1.0457  579.903   49.366  556.369   67.800  606.458   72.019   23.827   1.4658   24.873   1.4916 -1.045223 2.091324 
1 1 1   24   12    5 o   30.457   0.9341  904.827   55.027  870.714   74.211  946.489   82.014   29.829   1.2816   31.084   1.3592 -1.255089 1.868143 
1 1 1   24   12    6 o   15.180   1.8458  244.400   51.159  284.306   67.680  191.204   78.140   16.916   2.0611   13.443   3.0627 3.473036 3.691653 
1 1 1   24   12    7 o   20.819   1.2527  428.811   50.622  425.940   71.380  431.716   71.804   20.748   1.7723   20.889   1.7708 -0.1405296 2.505318 
1 1 1   24   12    8 o   6.9564   2.0858  -6.0618   50.303 -44.8468   66.838   44.608   76.395   5.7021   2.6237   8.2106   3.2432 -2.508451 4.171562 
1 1 1   24   12    9 o   17.254   1.5150  297.221   50.648  316.966   74.420  280.184   69.128   17.782   2.1559   16.725   2.1292 1.057041 3.030085 
1 1 1   24   12   10 o   28.530   1.0576  823.159   57.041  924.667   75.899  691.415   86.467   30.668   1.2749   26.392   1.6877 4.275282 2.115172 
1 1 1   24   12   11 o   23.206   1.2412  537.817   55.596  546.267   75.128  527.587   82.660   23.443   1.6509   22.969   1.8539 0.4746819 2.482434 
1 1 1   24   12   12 o   26.054   1.1254  674.280   56.832  624.911   78.985  727.275   81.835   25.053   1.6241   27.054   1.5582 -2.001192 2.250759 
1 1 1   24   12   13 f   8.5386   2.1773   48.159   52.578  131.480   76.845 -25.1767   72.094   10.863   3.3293   6.2146   2.8069 4.647894 4.354649 
1 1 1   24   13    0 f   39.622   0.7448  1527.97   57.241  1564.65   82.953  1494.62   79.087   40.074   1.0664   39.171   1.0401 0.9034653 1.489609 
1 1 1   24   13    1 o   39.787   0.7579  1542.95   58.503  1552.75   81.580  1532.57   83.941   39.920   1.0528   39.654   1.0905 0.2659225 1.515754 
1 1 1   24   13    2 o   6.8953   2.0449   1.0620   47.369 -30.5285   64.485   38.088   69.812   5.9054   2.6621   7.8852   3.1048 -1.979792 4.089861 
1 1 1   24   13    3 o   7.3070   2.0501   8.3864   49.309   73.469   66.896 -69.0366   72.964   8.9501   3.1272   5.6638   2.6517 3.286398 4.100102 
1 1 1   24   13    4 o   29.617   0.9570  860.607   54.624  875.362   73.359  842.246   81.835   29.919   1.2631   29.316   1.4381 0.6037579 1.914012 
1 1 1   24   13    5 o   8.8451   2.0127   66.484   47.229  134.016   62.115 -26.0647   72.716   11.304   2.8357   6.3867   2.8571 4.916811 4.025424 
1 1 1   24   13    6 o   15.319   1.7795  238.544   50.384  169.844   68.327  320.422   74.593   12.705   2.8417   17.933   2.1428 -5.228689 3.559048 
1 1 1   24   13    7 o   41.424   0.8049  1677.27   64.506  1659.25   87.529  1698.69   95.433   41.193   1.0946   41.654   1.1803 -0.4615669 1.609721 
1 1 1   24   13    8 o   29.826   0.9133  872.946   52.852  903.424   74.727  842.441   74.761   30.353   1.2683   29.299   1.3145 1.053446 1.826584 
1 1 1   24   13    9 o   38.378   0.8296  1451.01   61.313  1510.33   82.742  1378.77   91.310   39.280   1.0852   37.476   1.2552 1.803398 1.659217 
1 1 1   24   13   10 o   15.936   1.9160  258.901   57.076  201.080   75.366  336.658   87.399   13.698   2.9234   18.174   2.4774 -4.475737 3.831913 
1 1 1   24   13   11 o   17.868   1.4658  321.863   50.818  334.579   72.194  309.375   71.545   18.228   2.0403   17.508   2.1051 0.7204323 2.931597 
1 1 1   24   13   12 o   18.644   1.4710  350.479   52.815  294.344   72.352  414.509   77.273   17.010   2.1912   20.278   1.9631 -3.267761 2.941914 
1 1 1   24   13   13 o   7.7874   2.2832   32.339   56.220   29.416   75.013   36.086   84.920   7.5427   3.1267   8.0321   3.3280 -0.4893665 4.566366 
1 1 1   24   14    0 o   8.8254   2.0530   55.991   46.112  -6.6984   62.102  133.029   68.843   6.3194   2.7393   11.331   3.0586 -5.011975 4.105964 
1 1 1   24   14    1 o   14.074   1.8023  206.028   46.919  236.986   62.556  166.217   70.938   15.503   2.0786   12.645   2.9449 2.858722 3.604615 
1 1 1   24   14    2 o   34.689   0.8291  1174.36   55.528  1174.72   74.754  1173.91   82.941   34.705   1.1096   34.673   1.2323 0.3170776E-01 1.658261 
1 1 1   24   14    3 o   30.124   0.9140  889.019   53.338  943.047   74.839  833.244   76.039   31.065   1.2410   29.184   1.3422 1.881248 1.828053 
1 1 1   24   14    4 o   21.996   1.2044  478.781   51.111  506.584   69.924  446.885   74.895   22.706   1.5864   21.287   1.8125 1.419432 2.408709 
1 1 1   24   14    5 o   34.840   0.8704  1195.84   58.401  1273.11   79.490  1105.21   86.086   36.093   1.1346   33.588   1.3203 2.505035 1.740838 
1 1 1   24   14    6 o   32.391   0.8805  1027.22   55.038  1022.38   73.877  1033.26   82.506   32.321   1.1775   32.461   1.3094 -0.1398544 1.760939 
1 1 1   24   14    7 o   19.330   1.4085  371.871   52.793  377.890   73.363  365.407   76.030   19.505   1.9376   19.155   2.0447 0.3497219 2.816955 
1 1 1   24   14    8 o   21.747   1.2742  466.748   53.513  404.660   73.258  537.780   78.358   20.186   1.8696   23.308   1.7318 -3.122086 2.548431 
1 1 1   24   14    9 o   18.085   1.6875  353.243   53.945  436.624   71.740  244.761   81.830   20.966   1.7627   15.203   2.8781 5.763243 3.375019 
1 1 1   24   14   10 o   30.971   0.9584  951.977   57.074  1005.52   77.045  886.867   84.963   31.981   1.2410   29.962   1.4608 2.019526 1.916821 
1 1 1   24   14   11 o   5.9249   1.9482 -62.4230   54.185 -89.5613   73.270 -29.6680   80.496   5.2856   2.5276   6.5641   2.9653 -1.278554 3.896358 
1 1 1   24   14   12 f   11.044   2.4299  135.308   57.713  143.208   78.209  125.864   85.516   11.350   3.3316   10.739   3.5381 0.6112337 4.859818 
1 1 1   24   14   13 o   12.346   2.5322  182.576   66.572  121.322  107.781  220.359   84.649   10.671   3.9391   14.020   3.1831 -3.348507 5.064467 
1 1 1   24   15    0 o   17.405   1.4561  300.242   48.905  326.465   67.815  271.828   70.593   18.219   1.9175   16.591   2.1919 1.627769 2.912238 
1 1 1   24   15    1 o   17.609   1.4427  304.709   49.080  265.599   67.438  348.753   71.565   16.401   2.1183   18.817   1.9593 -2.415976 2.885442 
1 1 1   24   15    2 o   32.283   0.9123  1028.48   56.576  1114.15   76.888  927.326   83.548   33.783   1.1725   30.783   1.3982 2.999775 1.824697 
1 1 1   24   15    3 o   35.530   0.8225  1231.05   56.086  1220.02   73.815  1246.11   86.267   35.359   1.0754   35.702   1.2448 -0.3434792 1.644993 
1 1 1   24   15    4 o   11.418   2.1407  127.733   50.585   68.906   66.596  207.963   77.772   8.7417   3.1142   14.094   2.9379 -5.352061 4.281311 
1 1 1   24   15    5 o   47.748   0.7284  2220.91   67.248  2171.59   90.704  2281.10  100.212   47.172   0.9906   48.325   1.0683 -1.153217 1.456856 
1 1 1   24   15    6 o   18.520   1.4510  335.353   51.621  299.766   67.319  386.142   80.422   17.362   1.9975   19.679   2.1053 -2.317020 2.902076 
1 1 1   24   15    7 o   18.081   1.4973  327.087   52.399  345.198   72.893  307.721   75.378   18.623   2.0164   17.538   2.2141 1.084736 2.994630 
1 1 1   24   15    8 o   21.608   1.2466  458.874   51.822  434.620   68.157  492.109   79.784   20.959   1.6752   22.257   1.8466 -1.297781 2.493270 
1 1 1   24   15    9 o   19.871   1.3707  394.428   52.724  356.850   73.708  433.801   75.447   18.880   2.0111   20.862   1.8630 -1.981478 2.741456 
1 1 1   24   15   10 f   24.263   1.2359  593.378   56.644  620.815   73.280  552.648   89.285   25.048   1.5071   23.478   1.9591 1.569551 2.471730 
1 1 1   24   15   11 o   12.857   2.0438  164.907   53.670   75.561   70.008  292.267   83.585   8.8705   3.1895   16.843   2.5565 -7.972011 4.087617 
1 1 1   24   15   12 o   13.458   2.0746  196.113   54.153  142.932   75.593  252.178   77.615   11.332   3.2609   15.583   2.5658 -4.251259 4.149254 
1 1 1   24   15   13 o   20.131   2.3310  472.070   82.467  542.268  105.224  360.295  132.777   22.872   2.3699   17.390   4.0146 5.482563 4.661972 
1 1 1   24   16    0 o   29.030   0.9179  816.732   51.481  758.814   68.823  890.303   77.569   27.875   1.2719   30.186   1.3238 -2.310942 1.835817 
1 1 1   24   16    1 o   21.761   1.2357  468.473   51.495  486.733   68.303  444.426   78.383   22.280   1.5793   21.241   1.9010 1.038620 2.471420 
1 1 1   24   16    2 o   23.733   1.1022  550.959   50.693  523.505   69.258  582.641   74.400   23.101   1.5445   24.366   1.5730 -1.265017 2.204477 
1 1 1   24   16    3 o   13.552   1.9034  200.529   49.605  309.555   69.116   84.718   71.235   17.684   2.0135   9.4211   3.2307 8.262650 3.806722 
1 1 1   24   16    4 o   19.409   1.3779  373.251   51.783  376.502   70.938  369.542   75.765   19.515   1.8726   19.304   2.0219 0.2104340 2.755861 
1 1 1   24   16    5 o   39.867   0.7999  1558.04   61.317  1583.15   81.672  1525.60   92.825   40.258   1.0451   39.476   1.2113 0.7816772 1.599862 
1 1 1   24   16    6 o   24.064   1.1608  575.806   53.690  610.196   72.479  533.987   79.924   24.900   1.4995   23.229   1.7725 1.670471 2.321693 
1 1 1   24   16    7 o   29.978   0.9787  891.449   56.370  971.672   76.894  798.250   82.879   31.481   1.2583   28.474   1.4994 3.007236 1.957442 
1 1 1   24   16    8 o   9.5530   2.1759   86.016   49.915  144.307   70.927   28.819   70.258   11.594   3.0939   7.5116   3.0603 4.082897 4.351702 
1 1 1   24   16    9 o   11.628   2.2689  141.381   52.630  112.568   68.262  183.613   82.643   10.290   3.1348   12.966   3.2808 -2.676230 4.537741 
1 1 1   24   16   10 f   14.766   1.9654  239.980   53.578  299.918   72.202  166.535   79.925   17.228   2.1590   12.304   3.2848 4.924267 3.930770 
1 1 1   24   16   11 o   11.694   2.2433  149.988   54.439  204.803   77.165   95.671   76.813   13.724   2.9818   9.6637   3.3524 4.059899 4.486651 
1 1 1   24   16   12 o   28.327   1.1310  811.813   61.262  910.754   83.619  697.179   90.007   30.298   1.4218   26.356   1.7592 3.941172 2.261941 
1 1 1   24   16   13 f   18.945   2.3515  380.874   82.645  323.624  103.178  483.358  138.046   17.005   3.2441   20.884   3.4051 -3.879522 4.703088 
1 1 1   24   17    0 o   16.691   1.6423  292.415   49.235  359.981   66.319  209.449   73.489   19.134   1.7855   14.247   2.7569 4.887213 3.284593 
1 1 1   24   17    1 f   31.646   0.8801  980.880   53.656  997.879   71.959  959.594   80.522   31.970   1.1595   31.322   1.3243 0.6473503 1.760213 
1 1 1   24   17    2 o   27.783   0.9864  755.733   52.357  753.678   68.224  758.677   81.663   27.760   1.2661   27.807   1.5129 -0.4676056E-01 1.972753 
1 1 1   24   17    3 o   30.226   0.9436  891.808   55.021  869.041   73.419  920.975   83.101   29.800   1.2692   30.651   1.3967 -0.8510895 1.887185 
1 1 1   24   17    4 o   20.885   1.2614  430.987   51.083  433.567   70.758  428.179   73.822   20.959   1.7391   20.811   1.8274 0.1486053 2.522706 
1 1 1   24   17    5 f   13.389   1.9960  183.238   51.798  111.135   69.750  271.895   77.343   10.334   3.1726   16.445   2.4229 -6.110612 3.991977 
1 1 1   24   17    6 o   22.335   1.2325  490.856   53.018  474.239   70.216  512.894   80.864   21.919   1.6502   22.751   1.8310 -0.8319530 2.464905 
1 1 1   24   17    7 o   22.142   1.1716  484.493   50.356  481.189   70.773  487.880   71.663   22.066   1.6522   22.217   1.6617 -0.1506367 2.343282 
1 1 1   24   17    8 f   26.893   1.0677  711.016   55.015  696.316   71.914  731.760   85.426   26.593   1.3931   27.193   1.6183 -0.6006756 2.135338 
1 1 1   24   17    9 o   25.674   1.1315  654.811   56.187  673.677   76.967  633.285   82.214   26.097   1.5193   25.251   1.6772 0.8461933 2.263051 
1 1 1   24   17   10 o   14.739   1.9499  235.725   53.419  285.560   72.656  177.090   78.810   16.779   2.2306   12.698   3.1988 4.081051 3.899736 
1 1 1   24   17   11 o   23.256   1.3427  562.354   58.320  650.000   77.219  445.977   88.979   25.571   1.5556   20.940   2.1890 4.630941 2.685465 
1 1 1   24   17   12 o   16.288   2.1421  280.423   65.448  381.543  100.873  206.908   86.009   19.033   2.7302   13.542   3.3017 5.491155 4.284263 
1 1 1   24   18    0 o   7.6365   2.1705   30.942   49.015   38.611   64.351   20.344   75.647   7.6710   2.9926   7.6020   3.1447 0.6898499E-01 4.341015 
1 1 1   24   18    1 o   64.714   0.7357  4081.66   92.336  4005.43  127.361  4166.12  134.062   64.082   1.0238   65.345   1.0569 -1.262314 1.471482 
1 1 1   24   18    2 o   19.754   1.3200  383.019   50.038  309.044   68.094  469.854   73.776   17.670   1.9852   21.837   1.7404 -4.166584 2.640065 
1 1 1   24   18    3 o   17.643   1.4884  309.278   50.936  308.595   70.665  310.017   73.488   17.630   2.0648   17.655   2.1442 -0.2506638E-01 2.976794 
1 1 1   24   18    4 o   31.136   0.9525  943.871   57.342  870.012   77.036  1035.64   85.868   29.784   1.3324   32.489   1.3616 -2.704166 1.905038 
1 1 1   24   18    5 o   26.987   1.0705  719.109   55.862  747.057   76.690  687.518   81.534   27.567   1.4331   26.407   1.5905 1.159996 2.140932 
1 1 1   24   18    6 o   31.206   0.9189  952.809   55.591  905.823   76.262  1006.08   81.205   30.389   1.2928   32.024   1.3063 -1.634157 1.837852 
1 1 1   24   18    7 o   24.677   1.1673  606.357   55.426  642.131   75.099  563.559   82.141   25.518   1.5161   23.836   1.7752 1.681686 2.334514 
1 1 1   24   18    8 o   31.559   0.9426  977.295   57.372  957.024   76.560  1003.26   86.646   31.208   1.2638   31.909   1.3989 -0.7009296 1.885184 
1 1 1   24   18    9 o   22.963   1.2762  534.801   55.831  594.958   75.200  460.915   83.340   24.499   1.5813   21.428   2.0036 3.070724 2.552419 
1 1 1   24   18   10 o   17.378   1.7082  305.294   57.115  255.113   76.677  367.841   85.604   15.758   2.5066   18.997   2.3214 -3.238809 3.416407 
1 1 1   24   18   11 o   12.994   2.1108  181.088   55.620   99.417   76.356  273.411   81.183   9.7518   3.3447   16.236   2.5759 -6.483727 4.221696 
1 1 1   24   18   12 o   20.240   2.1895  445.239   79.951  442.741   99.732  449.731  133.747   20.612   2.4926   19.869   3.6004 0.7432194 4.379009 
1 1 1   24   19    0 o   48.624   0.7226  2306.04   68.051  2305.95   93.176  2306.15   99.625   48.631   0.9870   48.617   1.0556 0.1376343E-01 1.445188 
1 1 1   24   19    1 o   21.929   1.2251  461.977   51.498  387.508   67.130  568.479   80.280   19.832   1.7437   24.025   1.7214 -4.193142 2.450249 
1 1 1   24   19    2 o   9.1417   2.2515   75.162   49.017   55.762   64.793  101.122   74.952   8.2231   3.0504   10.060   3.3123 -1.837204 4.502952 
1 1 1   24   19    3 o   24.886   1.0981  607.517   52.530  596.574   69.327  622.270   80.497   24.646   1.4491   25.127   1.6503 -0.4812164 2.196252 
1 1 1   24   19    4 o   39.743   0.7937  1539.90   61.072  1479.09   82.882  1612.15   90.337   38.894   1.0978   40.592   1.1465 -1.698303 1.587302 
1 1 1   24   19    5 o   41.095   0.7977  1655.40   63.499  1719.09   88.087  1586.49   91.620   41.933   1.0822   40.258   1.1724 1.674999 1.595490 
1 1 1   24   19    6 o   33.880   0.8908  1122.52   58.292  1095.63   78.205  1156.13   87.442   33.439   1.2048   34.320   1.3125 -0.8806801 1.781637 
1 1 1   24   19    7 o   39.478   0.8376  1521.46   63.960  1453.51   86.188  1604.75   95.420   38.512   1.1529   40.444   1.2154 -1.932388 1.675204 
1 1 1   24   19    8 o   20.938   1.3552  443.200   54.267  477.614   72.773  400.093   81.447   21.926   1.7098   19.950   2.1031 1.975662 2.710438 
1 1 1   24   19    9 o   10.020   2.3496  105.378   53.762  120.602   71.892   86.064   80.977   10.577   3.2159   9.4619   3.4263 1.115353 4.699125 
1 1 1   24   19   10 o   23.797   1.2107  565.018   55.825  521.214   78.126  610.714   79.796   22.835   1.7625   24.759   1.6603 -1.923367 2.421376 
1 1 1   24   19   11 o   10.447   2.2742  116.555   56.458  182.053   76.512   38.260   83.653   12.814   3.1078   8.0805   3.3210 4.733920 4.548367 
1 1 1   24   19   12 o   20.230   2.1491  436.933   82.568  418.617  105.635  465.695  132.377   19.884   2.7368   20.576   3.3143 -0.6920910 4.298230 
1 1 1   24   20    0 o   12.811   2.0108  166.395   50.813  100.958   68.858  244.635   75.293   9.9847   3.1657   15.638   2.4803 -5.653564 4.021624 
1 1 1   24   20    1 o   36.359   0.8056  1286.86   56.751  1198.65   77.579  1388.39   83.236   35.023   1.1411   37.694   1.1375 -2.670952 1.611244 
1 1 1   24   20    2 o   42.015   0.7613  1723.50   62.073  1684.93   86.554  1764.34   89.068   41.532   1.0736   42.498   1.0797 -0.9659195 1.522592 
1 1 1   24   20    3 o   43.077   0.7609  1812.89   63.479  1803.53   86.789  1823.65   93.088   42.967   1.0405   43.186   1.1104 -0.2195511 1.521756 
1 1 1   24   20    4 o   6.6414   2.0471  -8.4883   49.348 -20.0377   65.864   6.2926   74.511   6.1408   2.7351   7.1420   3.0466 -1.001145 4.094265 
1 1 1   24   20    5 o   17.810   1.4987  324.464   50.440  374.875   68.019  262.872   75.185   19.454   1.8012   16.166   2.3958 3.287970 2.997350 
1 1 1   24   20    6 o   8.5144   2.1853   19.104   55.163 -69.5936   72.618  140.108   84.818   5.5805   2.6231   11.448   3.4958 -5.867792 4.370519 
1 1 1   24   20    7 o   29.133   1.0012  836.656   56.578  844.289   78.740  828.508   81.350   29.280   1.3854   28.986   1.4458 0.2936077 2.002388 
1 1 1   24   20    8 o   18.830   1.4767  360.287   53.125  381.738   70.630  332.341   80.618   19.551   1.8611   18.110   2.2932 1.440441 2.953363 
1 1 1   24   20    9 o   41.097   0.8289  1663.45   65.885  1710.68   90.212  1609.45   96.452   41.748   1.1132   40.445   1.2285 1.303059 1.657822 
1 1 1   24   20   10 o   31.458   1.0273  983.551   62.283  1007.08   83.855  954.596   93.018   31.922   1.3532   30.994   1.5460 0.9276428 2.054634 
1 1 1   24   20   11 o   19.277   1.8827  377.970   69.126  451.727  111.742  332.246   87.980   20.689   2.7823   17.865   2.5370 2.824570 3.765337 
1 1 1   24   20   12 o   12.569   2.6739  154.376   77.624   48.433   99.109  322.487  124.847   8.6855   3.5967   16.452   3.9575 -7.766674 5.347716 
1 1 1   24   21    0 o   55.720   0.7243  3030.79   78.301  3054.97  109.228  3005.24  112.303   55.954   1.0056   55.486   1.0427 0.4682274 1.448589 
1 1 1   24   21    1 o   32.078   0.8897  1011.09   54.844  1034.55   73.073  980.829   82.995   32.527   1.1573   31.629   1.3518 0.8981934 1.779477 
1 1 1   24   21    2 o   29.458   0.9406  837.878   53.348  717.679   70.790  995.878   81.161   27.047   1.3483   31.870   1.3119 -4.822889 1.881223 
1 1 1   24   21    3 o   39.273   0.7810  1511.20   59.248  1539.58   80.356  1477.40   87.704   39.694   1.0429   38.852   1.1629 0.8415604 1.562012 
1 1 1   24   21    4 o   26.130   1.0675  681.084   53.395  757.789   72.729  591.404   78.640   27.785   1.3485   24.476   1.6552 3.308620 2.134917 
1 1 1   24   21    5 o   38.780   0.8343  1476.52   62.202  1499.48   82.818  1446.80   94.212   39.153   1.0897   38.407   1.2637 0.7453690 1.668600 
1 1 1   24   21    6 o   52.839   0.7356  2730.12   75.387  2707.28  104.344  2755.06  109.036   52.615   1.0216   53.062   1.0586 -0.4475479 1.471154 
1 1 1   24   21    7 o   13.267   2.0859  192.122   52.113  213.560   69.231  164.094   79.159   14.266   2.5957   12.269   3.2660 1.996565 4.171811 
1 1 1   24   21    8 o   26.213   1.1241  686.883   56.715  759.608   78.480  607.384   82.054   27.721   1.4584   24.704   1.7110 3.016773 2.248249 
1 1 1   24   21    9 o   21.519   1.3413  457.182   55.580  398.003   73.473  536.354   84.982   19.915   1.9005   23.122   1.8934 -3.206573 2.682692 
1 1 1   24   21   10 o   24.731   1.2473  624.690   58.613  710.410   79.335  521.664   86.975   26.732   1.5289   22.730   1.9712 4.002428 2.494631 
1 1 1   24   21   11 o   20.963   2.1822  489.478   83.109  540.464  108.617  417.470  129.081   22.801   2.4540   19.126   3.6091 3.674904 4.364401 
1 1 1   24   22    0 o   27.923   0.9639  762.495   52.169  724.921   71.451  805.396   76.347   27.190   1.3537   28.656   1.3725 -1.465433 1.927798 
1 1 1   24   22    1 o   34.568   0.8323  1165.97   55.759  1109.66   76.285  1230.56   81.702   33.677   1.1669   35.459   1.1870 -1.782181 1.664510 
1 1 1   24   22    2 o   16.139   1.6138  260.802   50.543  254.816   70.396  267.170   72.612   15.950   2.2737   16.328   2.2909 -0.3782339 3.227645 
1 1 1   24   22    3 o   15.052   1.8724  228.128   52.461  162.825   69.479  314.734   80.014   12.392   2.9338   17.711   2.3273 -5.319237 3.744797 
1 1 1   24   22    4 o   33.546   0.8846  1103.24   57.396  1103.67   77.941  1102.74   84.835   33.567   1.1961   33.525   1.3036 0.4264450E-01 1.769221 
1 1 1   24   22    5 o   23.796   1.1139  559.627   51.396  574.642   71.678  543.739   73.735   24.136   1.5299   23.455   1.6195 0.6806717 2.227827 
1 1 1   24   22    6 o   31.977   0.9379  1002.42   57.686  981.468   76.243  1030.48   88.222   31.613   1.2424   32.340   1.4053 -0.7270050 1.875746 
1 1 1   24   22    7 o   18.966   1.4214  359.916   52.217  328.512   72.017  394.725   75.821   18.084   2.0516   19.849   1.9678 -1.765697 2.842727 
1 1 1   24   22    8 o   21.227   1.3818  456.381   56.307  490.561   76.242  415.371   83.512   22.172   1.7715   20.282   2.1212 1.889900 2.763588 
1 1 1   24   22    9 o   31.100   1.0006  956.021   60.284  941.149   82.384  973.164   88.448   30.856   1.3754   31.343   1.4537 -0.4871826 2.001282 
1 1 1   24   22   10 o   31.584   1.1937  988.942   70.876  1036.01  116.735  961.462   89.199   32.062   1.8756   31.106   1.4772 0.9562969 2.387489 
1 1 1   24   22   11 o   34.052   1.3377  1166.52   86.710  1134.87  111.580  1214.78  137.775   33.603   1.7106   34.502   2.0571 -0.8997421 2.675409 
1 1 1   24   23    0 o   9.4697   2.0482   67.076   47.100  -2.1697   60.986  169.433   74.146   6.3138   2.7258   12.626   3.0578 -6.311789 4.096315 
1 1 1   24   23    1 o   33.815   0.8775  1121.52   57.326  1132.64   77.622  1108.18   85.024   34.016   1.1756   33.614   1.3030 0.4018402 1.754946 
1 1 1   24   23    2 o   18.424   1.3640  330.936   48.174  300.185   62.428  376.206   75.745   17.402   1.8480   19.445   2.0067 -2.043045 2.727988 
1 1 1   24   23    3 o   30.435   0.8983  907.223   52.928  894.995   72.028  921.576   78.036   30.222   1.2277   30.647   1.3117 -0.4250259 1.796634 
1 1 1   24   23    4 o   33.896   0.8948  1130.47   58.689  1214.51   82.219  1043.17   83.802   35.201   1.2032   32.590   1.3246 2.611019 1.789538 
1 1 1   24   23    5 o   16.551   1.8483  295.529   55.093  367.146   74.419  208.683   81.951   19.168   2.0000   13.933   3.1089 5.235052 3.696637 
1 1 1   24   23    6 o   45.708   0.7733  2043.48   68.506  1983.02   93.844  2112.47  100.235   44.993   1.0745   46.423   1.1123 -1.430099 1.546513 
1 1 1   24   23    7 o   31.091   1.0173  966.101   60.062  1016.48   78.542  895.146   93.210   32.142   1.2588   30.039   1.5985 2.103371 2.034646 
1 1 1   24   23    8 o   17.881   1.8483  367.712   55.812  497.535   74.253  199.112   84.619   22.338   1.7124   13.425   3.2760 8.913436 3.696532 
1 1 1   24   23    9 o   10.698   2.4632  131.364   64.973  178.331   75.868   2.1534  125.838   12.715   3.1015   8.6804   3.8276 4.034263 4.926467 
1 1 1   24   23   10 o   25.912   1.6794  687.505   83.280  656.847  108.113  732.242  130.600   25.321   2.1996   26.504   2.5384 -1.183260 3.358843 
1 1 1   24   24    0 o   10.608   1.9779  123.858   47.136  189.598   61.212   28.089   73.881   13.550   2.4158   7.6663   3.1324 5.883738 3.955759 
1 1 1   24   24    1 o   26.083   1.0053  667.440   50.560  658.455   67.498  678.927   76.318   25.901   1.3425   26.265   1.4969 -0.3641148 2.010673 
1 1 1   24   24    2 o   18.476   1.4400  341.037   51.065  347.526   67.765  332.509   77.681   18.718   1.8650   18.234   2.1947 0.4840813 2.880069 
1 1 1   24   24    3 o   29.800   0.9834  880.249   56.091  923.443   74.549  823.893   85.153   30.685   1.2515   28.914   1.5171 1.771187 1.966740 
1 1 1   24   24    4 o   12.416   1.9623  173.937   51.362  270.624   68.750   51.810   77.267   16.425   2.1562   8.4058   3.2792 8.019526 3.924580 
1 1 1   24   24    5 o   12.999   2.1147  182.080   51.896  186.225   68.691  176.568   79.213   13.248   2.7605   12.750   3.2042 0.4980097 4.229360 
1 1 1   24   24    6 o   10.893   2.2075  112.026   54.022   38.270   70.990  213.498   83.267   7.7610   3.1066   14.025   3.1370 -6.264255 4.414919 
1 1 1   24   24    7 o   19.920   1.5042  398.509   57.999  365.992   78.720  437.122   85.781   19.035   2.1305   20.805   2.1240 -1.770058 3.008399 
1 1 1   24   24    8 f   26.066   1.1891  676.770   59.561  671.946   78.762  683.213   91.027   26.006   1.5602   26.126   1.7949 -0.1198368 2.378150 
1 1 1   24   24    9 o   12.012   2.5911  164.016   65.922  171.190   94.944  157.337   91.603   12.240   3.6899   11.785   3.6387 0.4553223 5.182291 
1 1 1   24   24   10 o   22.276   2.0727  540.762   86.107  575.844  110.558  486.670  137.282   23.544   2.4190   21.008   3.3663 2.536015 4.145341 
1 1 1   24   25    0 o   11.248   2.1382  134.041   47.491  132.593   63.675  135.856   71.295   11.191   2.9055   11.306   3.1377 -0.1156254 4.276385 
1 1 1   24   25    1 f   20.041   1.3151  399.601   50.905  412.669   69.334  384.318   74.978   20.423   1.7489   19.660   1.9646 0.7628822 2.630294 
1 1 1   24   25    2 o   27.318   0.9895  729.422   52.217  692.709   69.838  775.965   78.634   26.554   1.3549   28.082   1.4425 -1.527916 1.979027 
1 1 1   24   25    3 o   15.461   1.7004  243.906   49.601  210.322   68.467  281.000   71.957   14.197   2.5794   16.726   2.2163 -2.528749 3.400767 
1 1 1   24   25    4 o   13.401   2.0333  187.647   51.307  146.008   68.321  241.501   77.699   11.654   3.0017   15.147   2.7435 -3.493000 4.066549 
1 1 1   24   25    5 o   10.318   2.2828  113.183   52.086  140.507   70.686   80.723   77.045   11.392   3.1095   9.2443   3.3429 2.147629 4.565542 
1 1 1   24   25    6 o   20.454   1.3816  430.811   53.253  494.403   71.250  350.325   80.157   22.307   1.6454   18.602   2.2198 3.705139 2.763150 
1 1 1   24   25    7 o   11.930   2.1575  145.357   52.497   80.018   68.577  237.850   81.591   9.0022   3.1651   14.859   2.9329 -5.856425 4.315049 
1 1 1   24   25    8 o   26.120   1.2189  695.302   60.487  811.890   82.950  562.914   88.392   28.599   1.4942   23.641   1.9261 4.958601 2.437718 
1 1 1   24   25    9 o   21.545   2.0093  469.517   78.926  328.313  100.745  693.896  126.996   17.276   3.1188   25.814   2.5344 -8.537714 4.018692 
1 1 1   24   25   10 o   14.734   2.7860  271.452   83.074  316.642  105.159  196.430  135.494   16.741   3.3528   12.726   4.4503 4.014868 5.571948 
1 1 1   24   26    0 o   12.872   1.9834  180.432   48.821  220.805   64.250  125.269   75.101   14.848   2.2291   10.895   3.2812 3.953707 3.966749 
1 1 1   24   26    1 o   20.835   1.3043  426.381   52.043  404.511   67.558  458.303   81.621   20.215   1.7216   21.456   1.9597 -1.240454 2.608547 
1 1 1   24   26    2 o   6.7305   2.0738  -4.9820   50.480  -3.2910   66.916  -7.2153   76.901   6.5471   2.8408   6.9139   3.0219 -0.3667560 4.147554 
1 1 1   24   26    3 o   5.3286   1.8044 -90.8657   51.797 -82.2063   66.164 -104.5742   83.248   5.0459   2.4099   5.6113   2.6862 -0.5653129 3.608763 
1 1 1   24   26    4 o   8.2195   2.2244   39.649   52.130  -6.0629   69.614   98.008   78.657   6.5827   2.8762   9.8562   3.3939 -3.273514 4.448772 
1 1 1   24   26    5 o   10.578   2.3505  115.323   53.568   90.828   69.810  150.399   83.539   9.4487   3.1984   11.707   3.4452 -2.257917 4.701008 
1 1 1   24   26    6 o   18.715   1.5021  362.999   52.746  402.211   69.052  308.065   81.730   20.072   1.7722   17.357   2.4257 2.714899 3.004142 
1 1 1   24   26    7 o   34.491   0.9661  1186.14   63.959  1265.99   86.236  1088.50   95.355   35.848   1.2393   33.134   1.4825 2.713348 1.932260 
1 1 1   24   26    8 o   17.899   1.8755  330.017   62.691  423.305   96.192  261.135   82.657   20.243   2.4480   15.555   2.8422 4.687876 3.751071 
1 1 1   24   26    9 o   9.1339   2.6800   36.534   81.033 -30.3711  109.651  117.044  120.283   7.5675   3.4355   10.700   4.1142 -3.132813 5.359978 
1 1 1   24   27    0 o   46.402   0.7378  2102.31   65.947  2081.12   87.799  2129.75   99.895   46.154   0.9800   46.649   1.1032 -0.4955063 1.475568 
1 1 1   24   27    1 o   23.101   1.2124  529.718   53.689  534.407   70.783  523.366   82.384   23.261   1.5676   22.941   1.8500 0.3194828 2.424846 
1 1 1   24   27    2 o   23.770   1.2352  572.869   55.725  660.228   75.676  469.393   82.361   25.860   1.5075   21.679   1.9571 4.180546 2.470390 
1 1 1   24   27    3 o   22.652   1.1914  508.362   52.236  496.994   70.887  521.871   77.272   22.392   1.6309   22.913   1.7373 -0.5214157 2.382829 
1 1 1   24   27    4 o   23.894   1.1837  572.014   54.257  606.197   72.860  529.459   81.294   24.752   1.5164   23.036   1.8180 1.715563 2.367378 
1 1 1   24   27    5 o   19.895   1.3601  396.833   52.463  395.750   72.386  398.031   76.146   19.882   1.8755   19.908   1.9704 -0.2574921E-01 2.720287 
1 1 1   24   27    6 o   15.195   1.9905  245.536   57.112  258.341   77.848  230.611   84.044   15.839   2.5319   14.550   3.0720 1.288806 3.980936 
1 1 1   24   27    7 o   5.6334   1.8949 -86.2875   56.576 -73.6730   76.184 -101.7985   84.479   5.6255   2.6572   5.6414   2.7020 -0.1591396E-01 3.789703 
1 1 1   24   27    8 f   9.2489   2.7389   51.203   79.549   44.474   98.778   63.620  134.186   8.6355   3.5845   9.8623   4.1420 -1.226744 5.477712 
1 1 1   24   27    9 o   9.1433   2.6928   49.663   78.980   20.318  104.673   88.457  120.351   8.2598   3.5684   10.027   4.0338 -1.766977 5.385643 
1 1 1   24   28    0 o   21.135   1.2820  447.082   52.153  476.302   70.939  412.714   76.936   21.930   1.6664   20.340   1.9486 1.590746 2.563952 
1 1 1   24   28    1 o   7.0121   2.0494  -2.8352   49.644 -64.4026   69.035   63.096   71.440   5.4610   2.5639   8.5632   3.1978 -3.102242 4.098775 
1 1 1   24   28    2 o   38.664   0.8143  1466.46   60.893  1467.24   82.675  1465.53   90.024   38.693   1.1007   38.635   1.2004 0.5768204E-01 1.628631 
1 1 1   24   28    3 f   36.101   0.8790  1290.77   60.614  1339.76   79.866  1224.21   93.086   36.961   1.1132   35.241   1.3607 1.719746 1.758040 
1 1 1   24   28    4 o   26.844   1.0643  715.084   55.308  766.419   77.664  662.258   78.784   27.847   1.4367   25.841   1.5706 2.006592 2.128615 
1 1 1   24   28    5 o   14.050   2.1030  217.152   55.551  242.638   72.131  180.002   87.089   15.398   2.4133   12.703   3.4449 2.694652 4.206070 
1 1 1   24   28    6 o   38.065   0.8330  1425.56   61.430  1420.29   84.195  1431.55   89.831   38.006   1.1412   38.124   1.2138 -0.1181717 1.666049 
1 1 1   24   28    7 o   17.565   2.0101  325.044   64.632  460.961   97.470  218.384   86.345   21.150   2.3741   13.980   3.2444 7.169991 4.020219 
1 1 1   24   28    8 o   14.455   2.8021  255.264   80.296  274.182   99.748  220.437  135.338   15.532   3.4025   13.379   4.4531 2.152677 5.604233 
1 1 1   24   29    0 o   20.312   1.2472  410.677   48.956  415.707   66.436  404.700   72.420   20.473   1.6717   20.151   1.8514 0.3216267 2.494419 
1 1 1   24   29    1 o   18.121   1.5000  333.712   51.270  346.260   66.030  314.662   81.361   18.637   1.8251   17.604   2.3808 1.032818 2.999918 
1 1 1   24   29    2 o   14.479   1.9780  223.363   53.457  229.460   73.288  216.431   78.145   14.753   2.6568   14.205   2.9312 0.5477581 3.956094 
1 1 1   24   29    3 o   15.487   1.9181  263.524   54.016  337.942   73.463  175.940   79.697   18.317   2.0661   12.658   3.2322 5.659599 3.836158 
1 1 1   24   29    4 o   15.048   1.8945  232.869   52.468  131.307   69.192  370.284   80.483   10.976   3.1072   19.120   2.1685 -8.143968 3.789058 
1 1 1   24   29    5 o   12.510   2.0058  177.768   53.261  277.060   72.106   58.545   79.013   16.488   2.2528   8.5307   3.3193 7.957764 4.011603 
1 1 1   24   29    6 o   13.777   2.4554  214.612   65.548  223.034   95.867  207.219   89.825   14.006   3.5279   13.548   3.4162 0.4581366 4.910857 
1 1 1   24   29    7 o   32.301   1.3369  1038.10   82.817  951.623  107.526  1164.21  129.850   30.733   1.8023   33.869   1.9750 -3.135649 2.673793 
1 1 1   24   29    8 o   11.356   2.7869  138.410   76.652   86.514  102.072  205.526  116.079   9.6571   3.7685   13.055   4.1069 -3.398292 5.573868 
1 1 1   24   30    0 o   27.301   0.9808  731.660   51.773  699.752   69.635  771.100   77.418   26.651   1.3460   27.951   1.4268 -1.300108 1.961543 
1 1 1   24   30    1 o   33.867   0.8911  1128.53   58.506  1130.62   80.739  1126.22   84.898   33.912   1.2265   33.822   1.2931 0.9005737E-01 1.782235 
1 1 1   24   30    2 o   25.053   1.1628  630.121   55.528  662.725   73.194  585.913   85.230   25.888   1.4565   24.218   1.8129 1.669241 2.325561 
1 1 1   24   30    3 o   14.401   1.9815  230.366   52.880  284.164   70.373  160.590   80.145   16.751   2.1642   12.051   3.3199 4.699396 3.963037 
1 1 1   24   30    4 o   26.522   1.1455  706.278   57.838  735.310   75.787  665.786   89.504   27.253   1.4326   25.791   1.7877 1.461191 2.290915 
1 1 1   24   30    5 o   16.539   2.1386  289.734   66.172  394.354   99.981  208.186   88.271   19.458   2.6470   13.620   3.3596 5.837750 4.277115 
1 1 1   24   30    6 o   10.720   2.7027  124.372   72.105  149.542   95.427   90.880  110.078   11.473   3.7355   9.9675   3.9069 1.505425 5.405359 
1 1 1   24   30    7 o   11.165   2.8857  132.158   79.989  104.997  102.160  175.191  128.590   10.144   3.8170   12.186   4.3288 -2.042129 5.771319 
1 1 1   24   31    0 o   18.664   1.4120  351.412   50.900  372.052   70.068  328.350   74.064   19.285   1.8717   18.043   2.1146 1.242050 2.823943 
1 1 1   24   31    1 o   7.0274   2.0445   4.3465   50.952   63.495   64.641 -92.6955   82.798   8.3472   3.0554   5.7076   2.7175 2.639650 4.089045 
1 1 1   24   31    2 f   29.503   0.9979  857.722   56.805  835.959   75.873  885.481   85.690   29.104   1.3430   29.902   1.4763 -0.7981186 1.995739 
1 1 1   24   31    3 o   17.389   1.7914  327.840   55.820  375.534   72.665  259.174   87.189   19.319   1.9377   15.460   3.0136 3.858547 3.582755 
1 1 1   24   31    4 o   27.021   1.2257  728.533   63.991  752.883   95.801  708.916   85.987   27.394   1.8015   26.647   1.6623 0.7474060 2.451312 
1 1 1   24   31    5 o   26.334   1.6260  736.609   78.580  805.389   99.700  623.810  127.678   28.289   1.8156   24.378   2.6980 3.910841 3.252014 
1 1 1   24   31    6 o   10.795   2.8446  120.981   77.828  106.283   98.321  145.644  127.363   10.137   3.7583   11.452   4.2711 -1.314763 5.689216 
1 1 1   24   32    0 o   17.316   1.4549  298.779   48.503  275.716   63.821  330.315   74.627   16.557   1.9857   18.076   2.1269 -1.518826 2.909758 
1 1 1   24   32    1 o   26.639   1.0420  704.358   53.510  716.037   71.967  689.918   80.022   26.920   1.3772   26.357   1.5640 0.5629025 2.083919 
1 1 1   24   32    2 o   27.326   1.1470  740.610   60.350  720.961   79.975  766.597   91.974   26.945   1.5290   27.706   1.7101 -0.7612953 2.293987 
1 1 1   24   32    3 o   29.508   1.1876  877.931   66.530  827.406  103.794  913.166   86.679   28.683   1.8641   30.333   1.4721 -1.649666 2.375281 
1 1 1   24   32    4 o   9.6147   2.7290   75.502   76.437   79.241   97.297   69.473  123.541   9.4532   3.6820   9.7762   4.0290 -0.3230162 5.457977 
1 1 1   24   32    5 o   10.352   2.7679  109.550   75.974  114.987  100.892  102.430  115.463   10.418   3.8166   10.287   4.0098 0.1312819 5.535745 
1 1 1   24   33    0 o   7.8048   2.1284   30.433   49.289 -22.3563   66.635   94.213   73.243   6.0478   2.7181   9.5617   3.2759 -3.513895 4.256748 
1 1 1   24   33    1 o   16.746   1.7958  297.734   55.589  324.589   73.840  262.604   84.455   17.884   2.1270   15.608   2.8940 2.275371 3.591522 
1 1 1   24   33    2 o   27.144   1.2445  743.304   65.073  683.666   95.418  795.158   88.973   26.055   1.8866   28.232   1.6235 -2.177349 2.488953 
1 1 1   24   33    3 o   39.565   1.1731  1569.03   87.862  1579.86  112.792  1552.31  140.117   39.874   1.4572   39.256   1.8388 0.6182861 2.346176 
1 1 1   24   33    4 o   16.673   2.4076  359.018   74.012  460.713   92.177  174.489  124.168   21.160   2.2441   12.185   4.2603 8.974883 4.815216 
1 1 1   24   33    5 o   13.883   2.7803  222.283   75.650  199.893   93.733  264.116  128.123   13.113   3.5813   14.653   4.2537 -1.540018 5.560541 
1 1 1   24   34    0 f   16.744   1.6634  302.128   50.158  362.860   67.167  225.559   75.417   19.011   1.8201   14.477   2.7848 4.533947 3.326827 
1 1 1   24   34    1 o   19.435   1.6187  384.613   60.558  408.888   92.813  366.618   79.912   19.913   2.4011   18.957   2.1715 0.9556789 3.237411 
1 1 1   24   34    2 f   10.042   2.6685   99.514   70.412   88.039   95.540  113.158  104.175   9.6362   3.6758   10.448   3.8695 -0.8116455 5.337074 
1 1 1   24   34    3 o   10.653   2.7458   98.218   77.061   25.983   99.457  206.721  121.895   8.2293   3.5154   13.078   4.2189 -4.848363 5.491594 
1 1 1   24   34    4 o   18.502   2.3964  386.992   79.034  396.321   97.589  369.211  134.730   19.426   2.5879   17.577   4.0341 1.849035 4.792845 
1 1 1   24   35    0 o   21.164   1.5779  460.292   64.526  474.955   88.141  443.358   94.721   21.591   2.1030   20.737   2.3531 0.8538990 3.155860 
1 1 1   24   35    1 o   11.044   2.7089  135.955   70.730  133.370   95.962  139.029  104.656   10.936   3.7497   11.153   3.9106 -0.2162399 5.417875 
1 1 1   24   35    2 o   27.300   1.4874  761.732   77.165  760.454   99.631  763.649  121.989   27.415   1.8721   27.184   2.3118 0.2313576 2.974747 
1 1 1   24   36    0 o   9.0082   2.2941   67.603   59.291  139.528   78.387 -28.5681   90.642   11.109   3.3537   6.9075   3.1311 4.201390 4.588136 
1 1 1   24   36    1 o   8.8325   2.5097   59.338   66.871   85.012   89.487   26.870  100.632   9.3946   3.5637   8.2704   3.5346 1.124216 5.019329 
1 1 1   25    0    0 o   15.318   2.6552  267.773   67.787  255.725   89.353  284.111  104.048   15.002   3.5322   15.633   3.9653 -0.000000 0.000000 
1 1 1   25    0    1 o   46.494   0.9897  2110.25   88.492  2091.12  117.997  2134.85  133.777   46.272   1.3161   46.717   1.4785 -0.000000 0.000000 
1 1 1   25    0    2 o   6.8888   2.8037   51.180   66.243  100.407   86.598 -18.2570  102.849   8.2215   4.2378   5.5561   3.6719 -0.000000 0.000000 
1 1 1   25    0    3 o   6.1929   2.6899  -0.8053   66.110 -66.9669   86.377   92.763  102.721   4.3340   2.9996   8.0518   4.4660 -0.000000 0.000000 
1 1 1   25    0    4 o   4.3675   2.1627 -91.6781   66.110 -110.7716   86.370 -64.6663  102.730   3.8528   2.7341   4.8822   3.3518 -0.000000 0.000000 
1 1 1   25    0    5 o   6.4462   2.6865 -21.9961   66.410 -123.7864   86.003  128.334  104.516   3.7172   2.6538   9.1752   4.6720 -0.000000 0.000000 
1 1 1   25    0    6 o   17.556   2.1827  330.432   67.090  293.980   90.729  374.410   99.656   16.342   3.2146   18.771   2.9535 -0.000000 0.000000 
1 1 1   25    0    7 f   59.242   1.0182  3444.66  116.600  3585.27  161.176  3290.26  168.887   60.539   1.3731   57.945   1.5038 -0.000000 0.000000 
1 1 1   25    0    8 o   90.641   1.2534  8079.09  220.301  8285.10  311.818  7873.79  311.287   91.810   1.7511   89.472   1.7939 -0.000000 0.000000 
1 1 1   25    0    9 o   7.3511   3.0366   66.086   69.194   46.013   85.763  103.517  117.113   6.3567   3.8282   8.3455   4.7148 -0.000000 0.000000 
1 1 1   25    0   10 o   12.353   3.2643  222.368   77.046  255.977   98.193  168.533  124.275   14.442   4.0471   10.264   5.1228 -0.000000 0.000000 
1 1 1   25    0   11 o   13.021   3.3520  242.651   79.495  262.512   99.937  208.434  131.178   14.590   4.0780   11.453   5.3212 -0.000000 0.000000 
1 1 1   25    0   12 o   11.824   3.0370  220.156   81.789  299.331  101.468   73.299  138.192   15.920   3.7829   7.7288   4.7521 -0.000000 0.000000 
1 1 1   25    1    0 o   50.333   0.7124  2468.86   69.599  2487.26   99.295  2451.08   97.584   50.516   1.0126   50.149   1.0024 0.3666534 1.424843 
1 1 1   25    1    1 o   27.922   0.9982  762.930   53.918  679.893   74.998  851.761   77.571   26.341   1.4667   29.504   1.3544 -3.162560 1.996444 
1 1 1   25    1    2 o   22.386   1.1605  495.697   50.073  435.805   71.620  552.965   70.034   21.034   1.7540   23.737   1.5199 -2.702576 2.320944 
1 1 1   25    1    3 o   9.6473   2.1838   90.835   47.345   61.216   65.421  123.407   68.605   8.4346   3.0758   10.860   3.1008 -2.425468 4.367537 
1 1 1   25    1    4 o   31.976   0.8760  1001.14   54.363  977.761   76.867  1024.54   76.895   31.599   1.2531   32.353   1.2244 -0.7535648 1.751992 
1 1 1   25    1    5 o   30.029   0.9026  881.940   52.546  941.095   76.348  828.700   72.431   30.985   1.2693   29.073   1.2834 1.912273 1.805108 
1 1 1   25    1    6 o   40.309   0.7243  1586.67   56.651  1610.41   81.528  1564.51   78.777   40.598   1.0345   40.020   1.0140 0.5775719 1.448624 
1 1 1   25    1    7 o   34.632   0.8542  1174.91   57.403  1150.57   79.840  1200.95   82.589   34.263   1.2004   35.001   1.2156 -0.7378616 1.708379 
1 1 1   25    1    8 f   28.808   0.9758  823.491   53.974  689.449   76.655  955.294   76.012   26.429   1.4941   31.186   1.2556 -4.757397 1.951662 
1 1 1   25    1    9 o   16.721   1.7157  287.875   53.667  232.824   74.225  348.183   77.687   14.860   2.6713   18.582   2.1537 -3.721791 3.431419 
1 1 1   25    1   10 o   18.156   1.4296  333.421   49.579  341.095   65.110  322.830   76.487   18.469   1.8161   17.843   2.2083 0.6262131 2.859113 
1 1 1   25    1   11 o   12.770   2.0769  176.119   54.006   93.750   75.173  263.979   77.638   9.5498   3.3162   15.990   2.5013 -6.440199 4.153759 
1 1 1   25    1   12 o   6.4093   2.0451 -49.1989   56.789   23.219   82.357 -114.8415   78.411   7.6384   3.2284   5.1803   2.5114 2.458100 4.090179 
1 1 1   25    2    0 o   28.264   0.9109  779.534   49.909  839.389   71.976  724.103   69.265   29.311   1.2650   27.217   1.3110 2.093805 1.821816 
1 1 1   25    2    1 o   22.871   1.1040  516.996   48.622  472.144   71.318  555.949   66.462   21.918   1.6762   23.823   1.4372 -1.904997 2.207966 
1 1 1   25    2    2 o   25.721   0.9999  650.550   49.723  617.378   72.475  680.049   68.345   25.087   1.4883   26.356   1.3358 -1.269693 1.999851 
1 1 1   25    2    3 o   31.779   0.8608  984.044   52.893  1028.15   78.999  948.209   71.209   32.415   1.2555   31.144   1.1779 1.270485 1.721514 
1 1 1   25    2    4 o   13.784   1.7888  197.633   46.059  145.432   65.314  249.270   64.960   11.743   2.8859   15.826   2.1145 -4.083193 3.577641 
1 1 1   25    2    5 o   14.260   2.0956  193.788   51.279  166.712   59.756  269.429   99.878   12.657   2.5207   15.863   3.3486 -3.206286 4.191269 
1 1 1   25    2    6 o   10.814   2.1897  123.457   48.784  102.212   69.331  144.290   68.657   9.9781   3.1779   11.650   3.0132 -1.672318 4.379375 
1 1 1   25    2    7 o   51.403   0.7016  2581.64   70.006  2614.58   99.289  2549.08   98.722   51.730   0.9888   51.076   0.9957 0.6544800 1.403243 
1 1 1   25    2    8 o   64.844   0.7475  4115.46   94.073  4097.69  131.765  4133.94  134.350   64.705   1.0491   64.982   1.0651 -0.2772446 1.494958 
1 1 1   25    2    9 o   43.690   0.7774  1870.95   65.914  1846.54   91.962  1896.74   94.525   43.401   1.0916   43.980   1.1072 -0.5797310 1.554792 
1 1 1   25    2   10 o   15.356   1.8358  245.976   53.579  256.000   76.035  236.090   75.512   15.800   2.4790   14.913   2.7083 0.8877392 3.671571 
1 1 1   25    2   11 o   24.487   1.2077  598.881   57.273  592.618   78.220  606.119   84.093   24.372   1.6534   24.603   1.7608 -0.2312183 2.415357 
1 1 1   25    2   12 o   10.070   2.0944  105.324   53.487  190.868   70.895  -7.7023   81.491   13.200   2.8503   6.9414   3.0695 6.258246 4.188772 
1 1 1   25    3    0 o   43.027   0.7252  1804.78   60.562  1804.30   86.311  1805.25   85.000   43.020   1.0336   43.034   1.0175 -0.1428604E-01 1.450376 
1 1 1   25    3    1 o   13.684   1.9046  193.997   49.285  247.098   69.693  140.875   69.706   15.772   2.2763   11.596   3.0543 4.176088 3.809198 
1 1 1   25    3    2 o   23.636   1.1188  549.888   51.231  576.057   71.499  522.276   73.442   24.226   1.5204   23.046   1.6417 1.179893 2.237544 
1 1 1   25    3    3 o   19.203   1.3522  364.611   50.222  324.792   69.969  406.927   72.130   18.106   1.9907   20.299   1.8305 -2.192362 2.704394 
1 1 1   25    3    4 o   11.751   2.0487  146.022   48.597  208.731   68.939   84.080   68.516   14.194   2.5978   9.3077   3.1686 4.886245 4.097352 
1 1 1   25    3    5 o   33.777   0.8012  1114.85   52.496  1149.63   76.020  1083.15   72.582   34.278   1.1425   33.276   1.1236 1.001438 1.602449 
1 1 1   25    3    6 o   12.892   1.9874  175.251   48.431  149.598   67.817  201.953   69.188   11.870   2.9548   13.914   2.6586 -2.043511 3.974813 
1 1 1   25    3    7 o   44.352   0.7467  1922.64   64.211  1900.61   88.455  1947.19   93.360   44.091   1.0335   44.613   1.0780 -0.5227432 1.493413 
1 1 1   25    3    8 o   15.908   1.6920  261.317   50.429  300.163   70.793  221.300   71.852   17.293   2.1089   14.522   2.6464 2.771704 3.383911 
1 1 1   25    3    9 o   7.9541   2.0384   0.3617   52.034 -112.2193   70.974  131.199   76.512   4.8997   2.3785   11.008   3.3111 -6.108656 4.076853 
1 1 1   25    3   10 o   40.625   0.8188  1616.92   64.217  1578.12   85.998  1665.82   96.547   40.098   1.1049   41.152   1.2086 -1.054012 1.637513 
1 1 1   25    3   11 o   9.3077   2.2780   83.505   53.003  128.656   74.318   36.765   75.614   10.811   3.2659   7.8044   3.1766 3.006699 4.555961 
1 1 1   25    3   12 o   29.080   1.0718  836.159   60.219  955.159   89.494  737.700   81.405   30.969   1.4887   27.191   1.5423 3.777979 2.143563 
1 1 1   25    4    0 o   25.669   0.9642  644.755   47.992  648.661   66.443  640.495   69.395   25.755   1.3290   25.583   1.3974 0.1726971 1.928426 
1 1 1   25    4    1 o   40.922   0.7274  1633.91   57.738  1558.74   81.552  1709.45   81.757   39.974   1.0510   41.870   1.0059 -1.896664 1.454782 
1 1 1   25    4    2 o   30.837   0.8726  934.499   51.899  880.453   76.500  980.584   70.642   29.991   1.3140   31.682   1.1486 -1.691032 1.745282 
1 1 1   25    4    3 o   15.919   1.6481  254.276   47.620  363.251   71.525  167.514   63.821   19.160   1.9231   12.679   2.6770 6.480496 3.296206 
1 1 1   25    4    4 o   21.595   1.1867  459.086   49.518  522.260   71.745  401.613   68.431   23.025   1.6052   20.164   1.7483 2.861553 2.373401 
1 1 1   25    4    5 f   14.466   1.7689  220.572   47.155  262.511   63.905  170.441   69.868   16.240   2.0272   12.691   2.8995 3.548299 3.537837 
1 1 1   25    4    6 o   9.5403   2.1909   91.904   46.616  102.429   65.679   81.220   66.174   9.9482   3.0827   9.1324   3.1139 0.8158770 4.381727 
1 1 1   25    4    7 o   11.347   2.1863  136.700   50.302  103.793   70.119  171.590   72.202   10.016   3.1966   12.678   2.9835 -2.661777 4.372575 
1 1 1   25    4    8 o   14.295   1.8064  218.570   47.197  246.287   61.527  178.943   73.569   15.684   2.0209   12.905   2.9946 2.778924 3.612703 
1 1 1   25    4    9 o   36.207   0.8731  1300.09   60.818  1431.50   83.757  1153.53   88.456   38.197   1.1296   34.217   1.3317 3.980080 1.746272 
1 1 1   25    4   10 o   16.600   1.6923  281.654   54.152  240.939   75.270  325.339   77.966   15.306   2.5333   17.895   2.2445 -2.588498 3.384623 
1 1 1   25    4   11 o   21.936   1.2413  483.102   51.792  488.323   67.159  475.440   81.358   22.153   1.5617   21.718   1.9298 0.4344330 2.482555 
1 1 1   25    4   12 o   18.077   1.6059  337.115   55.930  341.422   75.052  331.735   83.877   18.277   2.1155   17.878   2.4168 0.3981953 3.211900 
1 1 1   25    5    0 o   62.873   0.7213  3854.10   88.028  3853.91  123.986  3854.30  125.001   62.873   1.0159   62.874   1.0242 -0.9651184E-03 1.442553 
1 1 1   25    5    1 o   81.227   0.8024  6441.42  126.515  6384.41  177.532  6500.25  180.339   80.864   1.1310   81.591   1.1386 -0.7270126 1.604869 
1 1 1   25    5    2 o   6.4790   1.9884  -9.3560   47.107   13.551   65.779 -33.4725   67.493   6.9786   2.9133   5.9794   2.7069 0.9991794 3.976758 
1 1 1   25    5    3 o   22.033   1.1334  478.143   48.424  491.685   67.577  463.850   69.425   22.363   1.5567   21.704   1.6478 0.6589603 2.266867 
1 1 1   25    5    4 o   11.087   2.1005  129.606   47.479   88.956   67.335  169.801   66.957   9.4625   3.1407   12.712   2.7900 -3.249607 4.200911 
1 1 1   25    5    5 o   7.4411   2.1169   30.911   46.675   23.178   71.297   36.711   61.745   7.4319   3.0615   7.4504   2.9243 -0.1852894E-01 4.233746 
1 1 1   25    5    6 o   20.626   1.2512  422.270   49.941  443.417   69.199  399.282   72.148   21.185   1.6827   20.066   1.8523 1.119291 2.502449 
1 1 1   25    5    7 o   18.663   1.3490  346.229   48.608  300.011   67.331  396.537   70.247   17.341   2.0002   19.985   1.8107 -2.644489 2.698089 
1 1 1   25    5    8 o   7.1942   2.0543 -13.8757   51.328 -98.0986   69.933   84.475   75.571   5.0289   2.4215   9.3595   3.3192 -4.330649 4.108631 
1 1 1   25    5    9 o   18.759   1.3797  347.514   49.792  315.384   65.301  392.141   76.959   17.755   1.8947   19.762   2.0061 -2.007303 2.759404 
1 1 1   25    5   10 o   9.9105   2.3540  102.855   53.909  117.477   72.780   85.080   80.244   10.433   3.2471   9.3881   3.4091 1.044692 4.708013 
1 1 1   25    5   11 o   21.941   1.3840  506.912   55.950  643.394   76.351  348.620   82.226   25.431   1.5466   18.451   2.2957 6.979660 2.768058 
1 1 1   25    5   12 o   9.7774   2.2909   96.093   55.681   29.442   79.774  159.411   77.754   7.6889   3.2089   11.866   3.2705 -4.176907 4.581871 
1 1 1   25    6    0 o   20.061   1.2062  395.826   46.940  410.145   66.199  381.345   66.569   20.431   1.6692   19.690   1.7416 0.7410107 2.412338 
1 1 1   25    6    1 o   34.274   0.8132  1147.07   54.088  1155.78   77.514  1138.82   75.510   34.398   1.1609   34.149   1.1391 0.2492561 1.626394 
1 1 1   25    6    2 o   32.836   0.8110  1047.73   51.458  1111.38   77.291  997.055   68.963   33.720   1.1808   31.951   1.1119 1.768784 1.621909 
1 1 1   25    6    3 o   41.259   0.7315  1661.08   58.569  1699.80   83.951  1624.36   81.751   41.727   1.0364   40.791   1.0324 0.9355240 1.462910 
1 1 1   25    6    4 o   37.329   0.7987  1362.36   57.867  1341.23   80.993  1384.39   82.705   37.034   1.1266   37.623   1.1324 -0.5895844 1.597407 
1 1 1   25    6    5 o   28.899   0.9592  820.389   53.775  838.827   75.267  801.164   76.856   29.238   1.3261   28.560   1.3863 0.6783066 1.918461 
1 1 1   25    6    6 o   14.179   1.8352  207.346   49.039  248.760   70.393  168.295   68.356   15.745   2.3031   12.614   2.8579 3.131558 3.670421 
1 1 1   25    6    7 o   9.7608   2.2563   96.391   50.931  127.383   69.408   60.235   74.969   10.927   3.1186   8.5951   3.2615 2.331451 4.512524 
1 1 1   25    6    8 o   16.176   1.6175  264.164   50.654  260.766   68.982  268.140   74.622   16.085   2.2093   16.267   2.3632 -0.1824875 3.235076 
1 1 1   25    6    9 o   15.435   1.8369  243.700   53.328  201.993   70.860  298.179   80.985   13.778   2.7458   17.093   2.4408 -3.315040 3.673797 
1 1 1   25    6   10 o   20.839   1.3384  448.898   52.319  542.197   71.286  339.961   77.028   23.365   1.5717   18.314   2.1667 5.050470 2.676734 
1 1 1   25    6   11 o   10.844   2.1641  122.244   51.526   55.997   70.190  199.666   75.879   8.1829   3.1436   13.504   2.9749 -5.321257 4.328125 
1 1 1   25    6   12 o   27.615   1.1509  763.146   61.398  668.092   85.267  865.505   88.483   25.790   1.7032   29.440   1.5483 -3.650375 2.301780 
1 1 1   25    7    0 o   31.762   0.8610  985.204   53.044  1039.27   75.894  933.567   74.167   32.616   1.1987   30.907   1.2362 1.709585 1.721931 
1 1 1   25    7    1 o   14.336   1.7970  213.868   47.744  271.457   66.906  154.118   68.150   16.551   2.0825   12.120   2.9291 4.430642 3.593955 
1 1 1   25    7    2 o   19.705   1.2682  384.827   48.235  426.883   67.743  341.578   68.697   20.822   1.6760   18.588   1.9039 2.234657 2.536500 
1 1 1   25    7    3 o   30.311   0.8774  900.838   51.530  935.892   71.736  863.465   74.070   30.930   1.1948   29.691   1.2852 1.239235 1.754744 
1 1 1   25    7    4 o   17.721   1.3399  311.810   46.031  326.231   64.638  296.973   65.566   18.149   1.8347   17.293   1.9532 0.8559856 2.679714 
1 1 1   25    7    5 o   44.313   0.7288  1917.99   62.637  1906.13   86.665  1930.95   90.633   44.175   1.0106   44.451   1.0504 -0.2754326 1.457623 
1 1 1   25    7    6 o   57.062   0.7369  3182.30   81.622  3162.63  114.743  3202.45  116.131   56.885   1.0391   57.240   1.0452 -0.3546753 1.473818 
1 1 1   25    7    7 o   15.406   1.7118  249.698   47.925  170.274   67.942  328.348   67.610   12.658   2.8355   18.154   1.9186 -5.495820 3.423582 
1 1 1   25    7    8 o   19.037   1.4502  358.173   53.178  318.461   70.189  411.688   81.478   17.823   2.0287   20.251   2.0727 -2.427416 2.900304 
1 1 1   25    7    9 o   10.016   2.1431  104.214   58.865 -83.1714  106.622  186.372   70.600   6.8531   3.2076   13.180   2.8430 -6.326626 4.286176 
1 1 1   25    7   10 o   7.6628   2.1905   35.975   50.386   41.978   67.683   28.513   75.464   7.7156   3.0511   7.6100   3.1438 0.1055579 4.380937 
1 1 1   25    7   11 o   17.235   1.7023  304.720   56.810  284.028   77.121  329.269   84.004   16.605   2.3926   17.865   2.4223 -1.260704 3.404698 
1 1 1   25    7   12 o   22.953   1.3283  531.697   58.986  515.565   79.751  551.180   87.644   22.600   1.8179   23.306   1.9372 -0.7067890 2.656632 
1 1 1   25    8    0 o   7.5310   2.0549   39.456   42.598   46.045   57.708   31.567   63.143   7.6681   2.8720   7.3939   2.9396 0.2742362 4.109753 
1 1 1   25    8    1 o   41.695   0.7128  1697.23   57.643  1633.65   82.052  1759.18   80.997   40.919   1.0330   42.472   0.9824 -1.553658 1.425575 
1 1 1   25    8    2 o   6.3457   1.8890 -29.6561   45.930   51.233   64.198 -114.4761   65.739   8.0499   3.0264   4.6415   2.2613 3.408458 3.777945 
1 1 1   25    8    3 o   17.806   1.4252  315.733   48.843  266.365   68.379  367.161   69.792   16.352   2.1542   19.260   1.8667 -2.907869 2.850468 
1 1 1   25    8    4 o   26.048   1.0404  667.037   52.582  659.409   73.106  675.213   75.684   25.897   1.4542   26.198   1.4882 -0.3005619 2.080771 
1 1 1   25    8    5 o   8.6640   2.0290   55.483   47.657  133.589   66.125 -28.9339   68.745   11.224   2.9837   6.1041   2.7505 5.119812 4.058011 
1 1 1   25    8    6 o   22.062   1.2100  487.666   51.111  553.816   70.410  413.983   74.312   23.705   1.5301   20.418   1.8749 3.287527 2.420041 
1 1 1   25    8    7 o   17.979   1.5290  322.113   52.961  306.086   70.038  343.515   80.933   17.488   2.0632   18.471   2.2572 -0.9834518 3.058026 
1 1 1   25    8    8 f   18.798   1.4259  356.785   51.545  405.219   72.222  306.501   73.589   20.156   1.8459   17.439   2.1738 2.716806 2.851798 
1 1 1   25    8    9 o   7.2839   2.1063   5.1019   51.200 -53.4091   69.969   72.542   75.119   5.6624   2.6329   8.9054   3.2883 -3.243092 4.212515 
1 1 1   25    8   10 o   21.850   1.2988  466.888   54.296  375.461   71.216  593.809   83.908   19.334   1.8975   24.366   1.7740 -5.032101 2.597647 
1 1 1   25    8   11 o   6.5538   2.0500 -20.9775   53.148 -64.0159   74.819   22.861   75.511   5.6891   2.6704   7.4184   3.1110 -1.729392 4.099917 
1 1 1   25    8   12 o   22.698   1.3275  519.830   58.306  542.433   86.600  501.088   78.858   23.122   1.9294   22.275   1.8238 0.8470860 2.654976 
1 1 1   25    9    0 o   34.102   0.8121  1136.58   53.728  1105.69   76.577  1166.53   75.401   33.641   1.1726   34.564   1.1238 -0.9224777 1.624201 
1 1 1   25    9    1 o   44.313   0.7048  1915.72   60.596  1924.28   84.452  1906.63   86.997   44.419   0.9794   44.207   1.0138 0.2118187 1.409629 
1 1 1   25    9    2 o   26.350   0.9381  673.369   47.519  633.771   62.290  728.492   73.494   25.445   1.2611   27.256   1.3891 -1.810659 1.876159 
1 1 1   25    9    3 o   29.404   0.8857  846.803   50.552  840.325   71.088  853.431   71.903   29.291   1.2502   29.518   1.2549 -0.2265530 1.771379 
1 1 1   25    9    4 o   20.682   1.1881  420.124   47.567  462.094   70.253  384.595   64.638   21.633   1.6730   19.732   1.6875 1.900146 2.376239 
1 1 1   25    9    5 o   43.230   0.7693  1820.72   64.438  1707.18   88.061  1951.59   94.540   41.786   1.0857   44.675   1.0901 -2.889713 1.538532 
1 1 1   25    9    6 o   57.454   0.7348  3230.50   81.753  3279.44  112.266  3175.25  119.285   57.933   0.9983   56.974   1.0786 0.9595108 1.469644 
1 1 1   25    9    7 o   22.908   1.1999  516.565   53.068  486.268   70.727  555.596   80.275   22.160   1.6442   23.656   1.7481 -1.496489 2.399824 
1 1 1   25    9    8 o   7.0499   2.1252   4.2231   51.416 -17.8071   68.923   31.868   77.208   6.2893   2.7998   7.8105   3.1980 -1.521219 4.250437 
1 1 1   25    9    9 o   13.050   2.0977  187.944   51.960  214.487   69.559  154.435   78.155   14.249   2.6109   11.851   3.2839 2.398402 4.195349 
1 1 1   25    9   10 o   24.624   1.1824  606.660   56.318  641.045   78.063  569.337   81.330   25.388   1.5840   23.860   1.7559 1.527767 2.364796 
1 1 1   25    9   11 o   31.625   0.9889  992.078   60.476  994.838   82.112  988.807   89.406   31.703   1.3343   31.546   1.4600 0.1566391 1.977842 
1 1 1   25    9   12 o   12.015   2.2952  168.149   57.204  215.117   76.516  108.633   86.132   13.974   2.9150   10.056   3.5460 3.918110 4.590359 
1 1 1   25   10    0 o   27.056   0.9178  715.654   48.176  693.606   66.794  739.561   69.552   26.623   1.2925   27.489   1.3034 -0.8659000 1.835581 
1 1 1   25   10    1 o   25.518   1.0123  644.102   49.527  530.532   70.187  756.737   69.897   23.235   1.5562   27.802   1.2951 -4.567577 2.024603 
1 1 1   25   10    2 o   17.609   1.4372  312.145   48.312  365.676   67.155  254.717   69.556   19.239   1.7982   15.979   2.2424 3.259722 2.874307 
1 1 1   25   10    3 o   38.802   0.7632  1470.88   57.333  1462.66   78.197  1480.44   84.309   38.695   1.0411   38.910   1.1162 -0.2157516 1.526343 
1 1 1   25   10    4 o   35.638   0.8264  1239.71   57.006  1200.44   77.239  1286.70   84.483   35.028   1.1360   36.247   1.2007 -1.219688 1.652887 
1 1 1   25   10    5 o   13.685   1.9382  196.585   50.292  233.948   69.856  156.381   72.463   15.260   2.3583   12.109   3.0765 3.150028 3.876401 
1 1 1   25   10    6 o   35.759   0.8618  1249.63   59.546  1212.19   79.969  1296.21   89.207   35.174   1.1712   36.344   1.2644 -1.170364 1.723527 
1 1 1   25   10    7 o   24.920   1.1065  613.339   53.074  608.594   70.526  619.536   80.593   24.838   1.4627   25.002   1.6606 -0.1641693 2.212923 
1 1 1   25   10    8 o   16.839   1.6374  291.366   52.581  315.289   70.232  260.855   79.315   17.716   2.0422   15.961   2.5599 1.755087 3.274705 
1 1 1   25   10    9 o   19.852   1.3407  395.403   51.610  408.071   72.198  382.165   73.803   20.195   1.8417   19.509   1.9489 0.6865044 2.681378 
1 1 1   25   10   10 o   11.170   2.3204  139.346   53.565  151.163   68.874  121.258   85.213   11.741   3.0083   10.598   3.5338 1.143433 4.640851 
1 1 1   25   10   11 o   23.146   1.3494  542.909   60.454  570.602   83.972  513.109   87.106   23.804   1.8173   22.489   1.9953 1.314548 2.698855 
1 1 1   25   11    0 o   38.351   0.7671  1434.90   56.994  1418.57   77.988  1453.62   83.498   38.123   1.0538   38.579   1.1150 -0.4552498 1.534180 
1 1 1   25   11    1 o   11.756   2.0774  146.418   48.478  190.674   68.090  100.924   69.037   13.543   2.6849   9.9693   3.1708 3.573400 4.154831 
1 1 1   25   11    2 o   20.886   1.2222  429.868   49.511  410.334   68.419  451.341   71.736   20.388   1.7288   21.383   1.7283 -0.9945984 2.444481 
1 1 1   25   11    3 o   27.447   0.9679  740.326   51.506  778.071   72.576  702.029   73.106   28.162   1.3276   26.732   1.4088 1.429504 1.935788 
1 1 1   25   11    4 o   30.235   0.9145  892.518   53.547  838.257   72.742  956.697   79.112   29.239   1.2816   31.230   1.3050 -1.991581 1.829076 
1 1 1   25   11    5 o   34.599   0.8893  1183.25   58.675  1230.30   77.058  1118.35   90.514   35.460   1.1195   33.738   1.3821 1.722397 1.778575 
1 1 1   25   11    6 o   22.991   1.1667  524.409   51.771  538.590   70.186  507.485   76.674   23.359   1.5479   22.623   1.7460 0.7359848 2.333301 
1 1 1   25   11    7 o   15.560   1.8561  257.637   53.197  298.018   71.554  207.733   79.544   17.217   2.1410   13.904   3.0325 3.312954 3.712163 
1 1 1   25   11    8 o   18.621   1.5780  356.247   55.059  374.668   70.540  327.526   88.079   19.358   1.8772   17.885   2.5370 1.473522 3.155992 
1 1 1   25   11    9 o   19.413   1.4896  380.500   55.687  378.295   74.189  383.345   84.280   19.396   1.9704   19.429   2.2346 -0.3268623E-01 2.979277 
1 1 1   25   11   10 o   31.224   0.9908  962.295   59.949  915.653   81.858  1016.25   88.042   30.417   1.3864   32.031   1.4160 -1.614014 1.981667 
1 1 1   25   11   11 o   31.167   0.9737  968.862   58.569  1046.21   81.019  884.196   84.764   32.521   1.2834   29.812   1.4647 2.708729 1.947431 
1 1 1   25   12    0 f   10.188   1.8970   94.751   46.189  -2.3762   64.167  199.201   66.542   6.4865   2.7981   13.891   2.5622 -7.404068 3.793995 
1 1 1   25   12    1 o   31.189   0.8808  951.401   53.287  931.690   73.678  973.019   77.161   30.854   1.2302   31.524   1.2609 -0.6703033 1.761591 
1 1 1   25   12    2 o   18.757   1.3446  354.049   48.047  385.250   64.066  313.942   72.636   19.761   1.6702   17.753   2.1077 2.007418 2.689205 
1 1 1   25   12    3 o   10.815   2.1021  127.888   48.365  171.758   63.144   65.618   75.230   12.819   2.6258   8.8106   3.2833 4.008593 4.204144 
1 1 1   25   12    4 o   21.082   1.2830  447.616   51.564  500.048   69.648  384.017   76.707   22.520   1.5932   19.644   2.0116 2.875883 2.566062 
1 1 1   25   12    5 o   7.3112   2.0200   4.4921   48.344   86.384   69.047 -74.2631   67.711   9.3627   3.1808   5.2597   2.4907 4.102967 4.039950 
1 1 1   25   12    6 o   9.9801   2.0675   99.103   51.320  177.846   67.958  -5.3916   78.286   12.954   2.7854   7.0064   3.0560 5.947508 4.134927 
1 1 1   25   12    7 o   22.561   1.1768  509.861   51.006  563.479   70.079  449.461   74.379   23.877   1.5120   21.244   1.8036 2.632769 2.353535 
1 1 1   25   12    8 o   18.503   1.5350  343.810   54.950  319.922   74.109  372.980   81.895   17.802   2.1445   19.204   2.1969 -1.401371 3.070055 
1 1 1   25   12    9 o   16.725   1.6510  294.172   50.520  369.086   70.905  216.931   71.998   19.175   1.9049   14.275   2.6972 4.900387 3.302037 
1 1 1   25   12   10 o   8.9498   2.3043   65.532   54.806   16.224   74.088  125.122   81.448   7.2177   3.0570   10.682   3.4489 -3.464240 4.608696 
1 1 1   25   12   11 o   13.341   2.2004  206.665   59.145  274.160   78.920  120.185   89.333   16.210   2.5080   10.471   3.6163 5.739448 4.400862 
1 1 1   25   13    0 o   52.007   0.7091  2635.86   71.539  2526.83   99.077  2754.61  103.403   50.885   1.0030   53.129   1.0026 -2.244175 1.418208 
1 1 1   25   13    1 o   26.777   1.0165  699.318   52.422  585.336   71.249  833.842   77.403   24.400   1.5043   29.155   1.3677 -4.754873 2.033074 
1 1 1   25   13    2 o   16.460   1.5865  273.334   50.214  298.721   68.871  244.522   73.369   17.324   2.0480   15.596   2.4235 1.727736 3.172960 
1 1 1   25   13    3 o   15.759   1.6329  245.604   49.518  206.253   66.133  295.822   74.707   14.327   2.3779   17.191   2.2387 -2.864465 3.265888 
1 1 1   25   13    4 o   21.521   1.2580  451.985   52.148  406.133   68.750  514.107   80.024   20.261   1.7480   22.780   1.8096 -2.519255 2.516024 
1 1 1   25   13    5 o   16.640   1.6303  281.927   51.658  300.322   68.306  257.348   78.958   17.348   2.0283   15.932   2.5530 1.415912 3.260674 
1 1 1   25   13    6 o   27.939   0.9749  768.501   52.871  773.372   74.700  763.611   74.842   28.030   1.3729   27.849   1.3844 0.1807365 1.949733 
1 1 1   25   13    7 f   26.470   1.1188  684.915   56.989  628.156   74.825  763.323   87.945   25.199   1.5297   27.741   1.6331 -2.542614 2.237637 
1 1 1   25   13    8 o   14.386   1.8889  220.693   50.726  154.414   71.442  288.079   72.036   11.904   3.0713   16.869   2.1998 -4.965170 3.777848 
1 1 1   25   13    9 o   23.480   1.2707  550.969   57.745  541.205   78.399  562.549   85.374   23.278   1.7350   23.683   1.8570 -0.4058971 2.541428 
1 1 1   25   13   10 o   13.448   2.1701  196.833   54.680  183.089   70.920  216.979   85.864   12.945   2.8948   13.950   3.2338 -1.004982 4.340207 
1 1 1   25   13   11 o   19.869   1.4093  402.801   54.132  420.141   74.430  383.329   78.872   20.374   1.8820   19.364   2.0982 1.009445 2.818595 
1 1 1   25   14    0 o   11.068   2.0446  126.133   44.797   96.562   60.090  163.128   67.210   9.6836   2.9392   12.453   2.8429 -2.769588 4.089103 
1 1 1   25   14    1 o   36.711   0.7872  1328.60   55.627  1455.15   76.552  1187.03   80.970   38.600   1.0217   34.823   1.1978 3.777370 1.574360 
1 1 1   25   14    2 o   30.519   0.9561  927.425   55.533  996.695   73.482  835.179   84.797   31.906   1.1864   29.131   1.4995 2.774710 1.912121 
1 1 1   25   14    3 o   6.9927   2.0529 -25.2388   51.370 -100.3397   68.583   70.746   77.534   4.9536   2.3885   9.0318   3.3396 -4.078148 4.105814 
1 1 1   25   14    4 o   11.104   2.2182  132.028   50.513  153.297   68.684  106.973   74.549   12.004   2.9650   10.204   3.3001 1.799957 4.436462 
1 1 1   25   14    5 o   17.086   1.5369  299.014   49.555  327.569   65.120  259.727   76.382   18.153   1.8480   16.020   2.4562 2.133007 3.073766 
1 1 1   25   14    6 o   15.479   1.7512  241.875   52.090  231.762   68.404  255.834   80.367   15.138   2.3278   15.821   2.6169 -0.6828194 3.502408 
1 1 1   25   14    7 o   26.455   1.0539  691.615   54.108  676.469   75.441  707.659   77.646   26.158   1.4857   26.751   1.4952 -0.5931091 2.107863 
1 1 1   25   14    8 o   35.096   0.9125  1218.01   61.880  1271.69   84.769  1156.77   90.539   35.957   1.2145   34.236   1.3624 1.721462 1.825091 
1 1 1   25   14    9 o   24.239   1.2023  583.522   56.410  546.413   76.329  628.183   83.736   23.402   1.6802   25.075   1.7203 -1.673552 2.404696 
1 1 1   25   14   10 o   23.791   1.2390  568.514   57.162  542.075   81.051  594.679   80.629   23.219   1.7983   24.362   1.7049 -1.143305 2.478019 
1 1 1   25   14   11 f   17.543   2.0722  339.852   67.157  287.357  100.649  381.976   90.162   15.924   3.3617   19.162   2.4239 -3.238668 4.144407 
1 1 1   25   15    0 o   7.2443   2.0620  -3.1869   48.847 -63.4923   64.456   78.174   74.867   5.2624   2.4729   9.2262   3.3003 -3.963799 4.123968 
1 1 1   25   15    1 o   11.531   2.1401  138.232   48.448  114.559   64.233  169.475   73.790   10.440   3.0064   12.622   3.0465 -2.181495 4.280118 
1 1 1   25   15    2 o   14.801   1.7310  222.307   48.225  185.495   65.784  265.073   70.905   13.330   2.6357   16.272   2.2447 -2.942425 3.462048 
1 1 1   25   15    3 o   18.864   1.4294  355.370   50.059  231.777   68.016  501.441   73.943   15.201   2.3050   22.528   1.6909 -7.326769 2.858706 
1 1 1   25   15    4 o   17.123   1.6368  301.354   52.907  333.387   69.857  258.262   81.022   18.297   1.9668   15.949   2.6170 2.347946 3.273696 
1 1 1   25   15    5 o   28.915   1.0072  826.082   56.289  856.739   77.040  790.973   82.445   29.515   1.3446   28.315   1.5000 1.200693 2.014444 
1 1 1   25   15    6 o   43.568   0.7765  1860.69   65.416  1866.86   88.787  1853.38   96.749   43.666   1.0475   43.471   1.1465 0.1953735 1.552972 
1 1 1   25   15    7 o   33.405   0.9287  1101.80   59.872  1126.03   81.002  1072.61   88.890   33.840   1.2331   32.970   1.3889 0.8696289 1.857312 
1 1 1   25   15    8 o   35.149   0.8946  1214.22   60.908  1177.89   82.985  1256.65   89.678   34.592   1.2358   35.706   1.2939 -1.113773 1.789238 
1 1 1   25   15    9 o   20.921   1.3359  439.656   54.213  462.572   78.264  418.518   75.168   21.448   1.8798   20.394   1.8988 1.054050 2.671873 
1 1 1   25   15   10 o   6.2069   2.0180 -39.9941   54.809 -32.7045   70.500 -51.1315   87.142   5.9917   2.7335   6.4220   2.9695 -0.4302645 4.036047 
1 1 1   25   16    0 o   18.998   1.2895  366.813   46.251  428.175   62.530  292.693   68.724   20.852   1.5448   17.144   2.0651 3.708492 2.578977 
1 1 1   25   16    1 o   17.962   1.4799  325.033   50.556  341.054   66.290  302.761   78.162   18.550   1.8409   17.373   2.3177 1.177250 2.959821 
1 1 1   25   16    2 o   10.907   2.2027  120.842   50.451   78.032   67.898  173.615   75.385   9.0518   3.1512   12.763   3.0784 -3.710960 4.405315 
1 1 1   25   16    3 o   16.665   1.6119  278.195   51.248  276.382   66.561  280.836   80.310   16.648   2.0596   16.682   2.4801 -0.3374481E-01 3.223791 
1 1 1   25   16    4 o   22.891   1.1962  514.457   52.734  486.534   69.592  552.112   80.814   22.188   1.6158   23.595   1.7644 -1.407335 2.392499 
1 1 1   25   16    5 o   29.540   0.9987  864.260   56.776  899.434   76.457  821.017   84.772   30.247   1.3022   28.834   1.5146 1.413380 1.997398 
1 1 1   25   16    6 o   26.335   1.1257  687.711   56.946  691.028   75.441  683.317   86.820   26.448   1.4694   26.221   1.7057 0.2274685 2.251342 
1 1 1   25   16    7 o   33.345   0.9200  1095.73   59.500  1105.52   82.716  1085.24   85.653   33.510   1.2716   33.180   1.3299 0.3307343 1.839961 
1 1 1   25   16    8 f   35.482   0.8672  1244.99   59.260  1290.11   79.886  1189.78   88.368   36.236   1.1357   34.728   1.3108 1.507618 1.734386 
1 1 1   25   16    9 o   15.490   1.9433  256.478   56.550  272.228   76.515  237.518   83.949   16.251   2.4255   14.729   3.0370 1.521776 3.886668 
1 1 1   25   16   10 o   24.577   1.1839  605.592   56.470  615.556   80.792  596.075   78.960   24.772   1.6802   24.382   1.6683 0.3895721 2.367730 
1 1 1   25   17    0 o   16.392   1.6140  263.252   50.781  224.350   66.359  318.227   78.885   14.962   2.2847   17.821   2.2804 -2.858614 3.228013 
1 1 1   25   17    1 o   19.969   1.3097  392.200   50.428  370.085   66.837  421.427   76.834   19.337   1.7806   20.602   1.9213 -1.265009 2.619500 
1 1 1   25   17    2 o   43.436   0.7428  1839.65   62.436  1791.79   84.550  1897.05   92.592   42.826   1.0171   44.047   1.0829 -1.220718 1.485636 
1 1 1   25   17    3 f   34.571   0.8411  1158.80   56.073  1068.59   74.287  1278.27   85.486   33.032   1.1586   36.110   1.2196 -3.078106 1.682147 
1 1 1   25   17    4 o   9.7409   2.1282   94.406   50.711  157.048   67.317   12.212   77.110   12.128   2.8987   7.3536   3.1168 4.774696 4.256444 
1 1 1   25   17    5 o   31.231   0.9559  959.966   57.851  954.009   79.427  966.696   84.428   31.140   1.3140   31.322   1.3886 -0.1818256 1.911707 
1 1 1   25   17    6 o   19.449   1.4277  381.095   53.310  389.425   70.893  370.256   80.870   19.746   1.8495   19.151   2.1754 0.5953541 2.855335 
1 1 1   25   17    7 o   47.885   0.7456  2250.35   69.119  2283.08   94.751  2213.12  101.050   48.277   1.0111   47.493   1.0961 0.7837410 1.491197 
1 1 1   25   17    8 o   21.088   1.4412  462.273   57.083  551.704   77.502  356.233   84.392   23.510   1.6982   18.666   2.3291 4.844170 2.882454 
1 1 1   25   17    9 o   12.007   2.1374  159.771   52.343  227.225   74.343   93.465   73.709   14.529   2.7363   9.4836   3.2843 5.045825 4.274811 
1 1 1   25   17   10 o   10.273   2.5003   99.765   63.853  183.547   97.887   37.709   84.244   12.520   3.7405   8.0249   3.3190 4.495582 5.000679 
1 1 1   25   18    0 o   30.912   0.8799  942.162   52.439  1005.43   71.774  869.724   76.800   32.053   1.1536   29.771   1.3289 2.281488 1.759753 
1 1 1   25   18    1 o   17.400   1.5251  307.267   50.540  337.048   67.611  269.554   76.085   18.429   1.8900   16.372   2.3940 2.056700 3.050152 
1 1 1   25   18    2 o   18.789   1.4724  355.986   52.846  376.862   70.178  328.643   80.314   19.485   1.8554   18.092   2.2868 1.392931 2.944798 
1 1 1   25   18    3 o   25.001   1.0909  614.540   52.752  591.003   71.113  643.339   78.662   24.483   1.4963   25.519   1.5879 -1.036022 2.181829 
1 1 1   25   18    4 o   7.0341   2.0640   14.806   47.791   42.973   63.581 -21.7752   72.460   7.6744   2.9799   6.3938   2.8568 1.280535 4.128086 
1 1 1   25   18    5 o   9.5292   2.0937   88.014   52.256  161.102   67.011 -25.4053   83.477   12.254   2.8678   6.8041   3.0513 5.450110 4.187467 
1 1 1   25   18    6 o   25.094   1.1084  624.105   53.915  620.605   74.223  628.015   78.447   25.033   1.5274   25.155   1.6065 -0.1223164 2.216747 
1 1 1   25   18    7 o   15.496   1.8738  249.802   54.752  210.830   74.504  295.562   80.732   14.011   2.8366   16.981   2.4492 -2.969885 3.747633 
1 1 1   25   18    8 o   26.524   1.1037  698.611   56.604  686.840   76.445  712.898   84.217   26.303   1.4972   26.745   1.6221 -0.4424438 2.207459 
1 1 1   25   18    9 o   8.1183   2.2947   34.773   56.907 -11.0397   76.587   91.247   85.032   6.6857   2.9651   9.5510   3.5030 -2.865331 4.589449 
1 1 1   25   18   10 o   8.8517   2.6777  -7.6227   83.753 -89.3907  106.308  126.172  135.986   6.6364   3.1360   11.067   4.3411 -4.430693 5.355359 
1 1 1   25   19    0 o   13.165   1.9425  169.173   49.602   91.226   64.116  285.364   78.280   9.4841   3.0598   16.846   2.3939 -7.361435 3.884992 
1 1 1   25   19    1 o   9.9233   2.2662  101.361   49.854  112.327   65.594   86.361   76.715   10.337   3.0558   9.5093   3.3472 0.8279409 4.532345 
1 1 1   25   19    2 o   15.650   1.7573  248.871   50.230  164.778   67.290  354.697   75.486   12.459   2.8448   18.841   2.0639 -6.382471 3.514665 
1 1 1   25   19    3 o   33.820   0.8815  1121.76   57.390  1114.11   76.302  1131.72   87.086   33.711   1.1660   33.929   1.3223 -0.2171822 1.762932 
1 1 1   25   19    4 o   18.320   1.5307  331.319   53.899  281.627   70.965  399.066   82.859   16.721   2.1863   19.919   2.1430 -3.197571 3.061443 
1 1 1   25   19    5 o   28.686   1.0382  815.518   57.395  834.524   77.261  792.113   85.738   29.093   1.3680   28.278   1.5619 0.8156357 2.076330 
1 1 1   25   19    6 o   16.252   1.7228  267.585   53.931  251.178   71.177  289.702   82.640   15.707   2.3345   16.798   2.5343 -1.091637 3.445666 
1 1 1   25   19    7 o   19.432   1.4325  383.940   53.271  401.659   70.792  360.808   80.885   20.024   1.8212   18.840   2.2116 1.183971 2.864975 
1 1 1   25   19    8 o   7.3763   2.2197   14.918   55.965   28.832   76.332  -1.2545   82.296   7.6095   3.1542   7.1430   3.1240 0.4664488 4.439430 
1 1 1   25   19    9 o   28.557   1.1045  806.503   60.777  752.616   80.290  878.814   93.008   27.480   1.5052   29.635   1.6168 -2.155119 2.208947 
1 1 1   25   20    0 o   19.283   1.2739  364.298   47.199  340.699   61.736  397.497   73.223   18.559   1.7136   20.007   1.8854 -1.447880 2.547817 
1 1 1   25   20    1 o   11.547   2.1418  142.170   48.277  140.937   63.903  143.809   73.686   11.513   2.8696   11.582   3.1803 -0.6952381E-01 4.283593 
1 1 1   25   20    2 o   20.734   1.3485  427.825   53.679  425.301   70.805  431.237   82.314   20.701   1.7620   20.767   2.0419 -0.6562805E-01 2.697083 
1 1 1   25   20    3 o   14.461   1.9500  219.447   52.574  203.463   70.880  238.997   78.389   13.877   2.7285   15.045   2.7867 -1.168056 3.900081 
1 1 1   25   20    4 f   14.527   1.8502  222.700   50.308  250.490   68.612  190.388   73.983   15.742   2.2453   13.312   2.9414 2.430001 3.700474 
1 1 1   25   20    5 o   5.9320   1.9396 -53.7932   53.277 -25.2186   71.067 -90.4610   80.504   6.2291   2.8026   5.6350   2.6821 0.5941238 3.879184 
1 1 1   25   20    6 o   8.6547   2.2866   65.705   52.221   83.782   73.040   46.802   74.689   9.2169   3.2637   8.0925   3.2035 1.124341 4.573234 
1 1 1   25   20    7 o   28.666   1.0817  806.855   59.790  737.086   79.154  899.553   91.239   27.253   1.4962   30.078   1.5627 -2.824142 2.163468 
1 1 1   25   20    8 o   32.212   0.9698  1032.10   59.743  1053.07   78.550  1003.33   92.018   32.663   1.2389   31.762   1.4924 0.9002895 1.939642 
1 1 1   25   20    9 o   16.187   2.7135  323.536   84.431  367.383  104.375  240.525  143.612   18.531   2.9015   13.843   4.5863 4.688231 5.427034 
1 1 1   25   21    0 o   20.491   1.2957  417.678   50.984  422.291   67.590  411.590   77.659   20.658   1.6855   20.324   1.9685 0.3342018 2.591488 
1 1 1   25   21    1 o   7.2348   2.1300   6.2519   50.305 -27.5844   65.571   54.656   78.426   5.9465   2.6822   8.5230   3.3095 -2.576434 4.259971 
1 1 1   25   21    2 o   21.632   1.1974  462.888   50.186  444.871   68.498  483.767   73.739   21.186   1.6656   22.077   1.7206 -0.8914089 2.394709 
1 1 1   25   21    3 o   15.656   1.7467  258.840   50.260  292.895   67.077  215.243   75.894   17.092   2.0217   14.219   2.8489 2.873116 3.493345 
1 1 1   25   21    4 o   22.688   1.2661  511.780   55.574  495.872   75.111  531.024   82.611   22.319   1.7337   23.058   1.8457 -0.7391357 2.532214 
1 1 1   25   21    5 o   16.093   1.6822  265.057   52.304  275.911   71.648  252.673   76.531   16.492   2.2380   15.694   2.5120 0.7976465 3.364371 
1 1 1   25   21    6 o   14.869   2.2159  192.009   61.093  107.481   71.982  409.745  115.528   10.038   3.2425   19.700   3.0211 -9.661806 4.431739 
1 1 1   25   21    7 o   29.259   1.0486  853.048   59.148  879.689   79.906  820.760   87.968   29.810   1.3809   28.708   1.5785 1.101673 2.097273 
1 1 1   25   21    8 o   28.399   1.1398  797.499   62.482  704.501   83.616  915.086   94.023   26.539   1.6231   30.259   1.6007 -3.719740 2.279648 
1 1 1   25   21    9 f   17.291   2.5037  329.691   78.816  291.646   98.299  398.180  131.889   16.114   3.2546   18.468   3.8055 -2.354036 5.007464 
1 1 1   25   22    0 o   16.028   1.6899  277.013   48.225  340.823   64.213  194.463   73.036   18.526   1.7856   13.530   2.8697 4.995373 3.379882 
1 1 1   25   22    1 o   10.689   2.2590  122.577   50.936  139.411   69.116  102.564   75.358   11.384   3.0612   9.9943   3.3228 1.390092 4.517904 
1 1 1   25   22    2 o   12.497   2.1715  172.704   52.656  199.868   69.772  136.760   80.258   13.747   2.7110   11.248   3.3930 2.498646 4.343042 
1 1 1   25   22    3 o   23.031   1.2260  531.361   54.381  567.643   74.220  489.303   79.909   23.928   1.5979   22.134   1.8598 1.794680 2.451971 
1 1 1   25   22    4 f   14.339   1.9053  204.819   50.950  122.290   65.553  330.748   80.975   10.639   3.0287   18.038   2.3125 -7.399007 3.810608 
1 1 1   25   22    5 o   13.909   1.9960  232.242   52.888  325.891   68.824   97.195   82.648   18.001   1.9696   9.8173   3.4723 8.183419 3.991995 
1 1 1   25   22    6 o   13.645   2.0563  205.490   53.376  241.186   71.127  159.473   80.757   15.331   2.3900   11.959   3.3468 3.371975 4.112535 
1 1 1   25   22    7 o   25.805   1.1947  665.168   59.655  649.985   80.850  683.311   88.383   25.508   1.6328   26.101   1.7444 -0.5933723 2.389352 
1 1 1   25   22    8 o   20.221   2.1132  438.253   80.930  433.695  103.826  445.310  129.193   20.307   2.6339   20.135   3.3054 0.1715794 4.226465 
1 1 1   25   23    0 o   9.9156   2.3235  100.411   51.499   98.264   66.768  103.564   80.916   9.7329   3.1206   10.098   3.4433 -0.3652945 4.647022 
1 1 1   25   23    1 o   8.7174   2.2726   63.192   50.923   39.538   67.178   95.143   78.076   7.6801   3.0388   9.7546   3.3801 -2.074417 4.545286 
1 1 1   25   23    2 o   33.172   0.8668  1078.93   55.174  1065.55   72.534  1097.31   84.996   32.958   1.1338   33.385   1.3115 -0.4276695 1.733640 
1 1 1   25   23    3 o   9.9625   2.0253   98.139   51.613  187.356   68.260 -20.9609   78.868   13.255   2.7433   6.6698   2.9802 6.585285 4.050609 
1 1 1   25   23    4 o   7.9828   2.1793   30.628   52.688 -32.5778   73.131   98.845   75.975   6.1758   2.8045   9.7898   3.3365 -3.614008 4.358631 
1 1 1   25   23    5 o   13.758   2.0536  202.007   54.305  152.941   74.980  256.141   78.756   11.771   3.1982   15.745   2.5768 -3.973190 4.107100 
1 1 1   25   23    6 f   23.899   1.2271  573.064   55.965  578.658   73.044  565.112   87.087   24.111   1.5607   23.688   1.8939 0.4230518 2.454120 
1 1 1   25   23    7 o   11.140   2.5843  140.876   64.918  118.844  100.903  156.436   84.798   10.557   3.8245   11.723   3.4767 -1.165635 5.168556 
1 1 1   25   23    8 o   27.595   1.6449  796.073   85.792  830.012  111.223  746.215  134.809   28.548   2.0070   26.642   2.6067 1.905851 3.289804 
1 1 1   25   24    0 o   23.219   1.1320  542.052   50.174  598.652   67.648  472.844   74.803   24.638   1.4145   21.800   1.7677 2.838184 2.263951 
1 1 1   25   24    1 o   22.016   1.2154  481.120   51.625  473.829   69.074  490.347   77.704   21.855   1.6282   22.177   1.8050 -0.3227959 2.430815 
1 1 1   25   24    2 o   14.463   1.8991  214.204   51.780  173.791   68.283  268.892   79.431   12.724   2.8370   16.202   2.5255 -3.478720 3.798228 
1 1 1   25   24    3 o   14.465   1.8579  217.785   50.691  177.944   69.274  263.706   74.372   12.855   2.8507   16.075   2.3834 -3.219656 3.715782 
1 1 1   25   24    4 o   7.7138   2.2313   33.075   52.594   32.660   69.234   33.640   80.875   7.4979   3.0443   7.9296   3.2630 -0.4317179 4.462597 
1 1 1   25   24    5 f   21.056   1.3690  446.683   55.129  446.575   72.135  446.834   85.481   21.120   1.7595   20.991   2.0978 0.1285896 2.737978 
1 1 1   25   24    6 o   6.1892   2.0138 -48.4275   56.661 -16.0582   75.977 -88.9901   85.051   6.5689   2.9308   5.8095   2.7627 0.7594056 4.027693 
1 1 1   25   24    7 o   13.405   2.8223  216.990   78.301  228.587   98.484  197.063  129.096   14.035   3.5980   12.775   4.3493 1.259844 5.644673 
1 1 1   25   25    0 o   10.475   2.3659  117.010   54.267  123.648   72.228  108.405   82.231   10.715   3.2157   10.235   3.4713 0.4803486 4.731897 
1 1 1   25   25    1 o   7.8289   2.0743   19.382   52.625  108.964   70.438 -93.7918   79.172   10.129   3.2008   5.5291   2.6394 4.599524 4.148666 
1 1 1   25   25    2 o   28.347   0.9946  798.438   54.337  843.954   73.997  745.174   80.048   29.265   1.3026   27.430   1.5033 1.834486 1.989161 
1 1 1   25   25    3 o   19.725   1.4614  384.404   55.349  326.488   72.506  465.284   85.684   17.979   2.0775   21.472   2.0558 -3.492752 2.922727 
1 1 1   25   25    4 o   26.316   1.1438  690.768   58.149  701.294   78.865  678.228   86.079   26.572   1.5289   26.061   1.7016 0.5113964 2.287568 
1 1 1   25   25    5 o   10.604   2.4444  119.554   58.158   91.081   77.781  155.656   87.584   9.4700   3.3664   11.739   3.5452 -2.268904 4.888898 
1 1 1   25   25    6 o   13.246   2.4595  198.853   63.923  229.894   95.991  174.120   85.685   14.151   3.5111   12.341   3.4452 1.810493 4.919080 
1 1 1   25   25    7 o   23.536   2.1461  633.839   86.515  710.038  107.845  496.269  144.906   26.339   2.1093   20.732   3.7382 5.607458 4.292205 
1 1 1   25   26    0 o   37.683   0.8510  1399.44   61.885  1432.93   83.735  1359.14   91.867   38.210   1.1289   37.157   1.2737 1.053062 1.701984 
1 1 1   25   26    1 o   15.894   1.6578  254.174   50.727  233.245   66.728  282.829   78.080   15.153   2.2686   16.635   2.4179 -1.482738 3.315509 
1 1 1   25   26    2 o   15.792   1.8074  264.739   52.661  288.817   69.628  232.559   80.495   16.896   2.1229   14.689   2.9258 2.207287 3.614892 
1 1 1   25   26    3 o   22.010   1.2971  487.649   54.806  499.479   72.905  472.277   83.108   22.376   1.6785   21.644   1.9781 0.7315197 2.594229 
1 1 1   25   26    4 o   32.413   0.9947  1042.40   62.268  1057.05   84.317  1024.83   92.350   32.699   1.3283   32.126   1.4809 0.5731392 1.989339 
1 1 1   25   26    5 o   16.083   2.0829  284.693   61.593  254.013   96.992  305.427   79.734   14.977   3.4124   17.190   2.3895 -2.213343 4.165810 
1 1 1   25   26    6 o   23.548   1.7663  583.079   79.910  621.000  108.304  537.768  118.386   24.536   2.2739   22.559   2.7034 1.977247 3.532602 
1 1 1   25   27    0 o   15.116   1.9046  246.168   52.612  269.242   68.029  211.827   82.992   16.314   2.1482   13.918   3.1458 2.395459 3.809281 
1 1 1   25   27    1 o   30.178   0.9939  904.392   57.690  933.209   77.317  868.197   86.650   30.765   1.2947   29.591   1.5085 1.173462 1.987878 
1 1 1   25   27    2 o   21.208   1.3955  451.955   57.271  436.585   77.505  470.441   84.999   20.834   1.9164   21.581   2.0290 -0.7470970 2.790935 
1 1 1   25   27    3 o   19.327   1.5659  382.950   57.405  390.925   74.318  371.153   90.387   19.685   1.9449   18.969   2.4547 0.7162189 3.131779 
1 1 1   25   27    4 o   24.028   1.2169  571.365   56.248  525.691   73.766  634.814   86.941   22.924   1.6577   25.133   1.7821 -2.208981 2.433859 
1 1 1   25   27    5 o   9.8950   2.7661   89.390   78.474  108.727   98.388   55.579  130.101   10.210   3.7646   9.5798   4.0538 0.6303711 5.532218 
1 1 1   25   28    0 o   25.844   1.1787  672.568   58.008  707.564   76.312  624.672   89.276   26.723   1.4711   24.965   1.8422 1.758293 2.357485 
1 1 1   25   28    1 o   6.9909   2.1487 -17.5473   55.519 -62.2991   72.799   44.660   85.831   5.6377   2.6424   8.3441   3.3890 -2.706467 4.297414 
1 1 1   25   28    2 o   37.113   0.8995  1373.43   63.381  1434.93   82.658  1285.67   98.739   38.203   1.1146   36.023   1.4120 2.180546 1.798942 
1 1 1   25   28    3 o   19.423   1.4230  381.380   53.420  370.106   71.857  395.308   79.870   19.135   1.9346   19.711   2.0874 -0.5763721 2.846053 
1 1 1   25   28    4 o   17.458   2.2417  338.809   72.938  362.300   96.880  308.070  110.820   18.540   2.6919   16.377   3.5854 2.163193 4.483484 
1 1 1   25   28    5 o   17.517   2.4093  323.548   79.022  219.572  100.229  494.347  128.461   13.686   3.6890   21.348   3.1000 -7.661348 4.818563 
1 1 1   25   29    0 o   29.379   1.0783  873.475   60.000  951.112   79.099  768.272   92.077   31.033   1.3130   27.725   1.7108 3.307949 2.156630 
1 1 1   25   29    1 o   16.088   1.7421  263.618   53.793  243.695   70.061  292.232   83.961   15.405   2.3429   16.772   2.5789 -1.367405 3.484231 
1 1 1   25   29    2 o   22.008   1.3606  490.924   57.707  503.461   77.789  475.579   86.058   22.379   1.7906   21.636   2.0490 0.7435989 2.721188 
1 1 1   25   29    3 o   12.051   2.6901  173.281   76.646  233.312   97.552   76.442  123.900   14.231   3.5446   9.8715   4.0476 4.359415 5.380285 
1 1 1   25   29    4 o   14.988   2.5167  286.973   79.612  388.380  100.652  117.511  130.114   19.165   2.7055   10.810   4.2444 8.354738 5.033386 
1 1 1   25   30    0 o   17.763   1.5424  323.082   52.680  331.107   70.484  312.927   79.294   18.080   2.0083   17.446   2.3414 0.6338978 3.084754 
1 1 1   25   30    1 o   32.787   0.9873  1067.35   62.286  1073.93   82.979  1058.86   94.270   32.952   1.2973   32.623   1.4886 0.3284073 1.974545 
1 1 1   25   30    2 o   43.389   1.1448  1891.29   94.408  1921.63  122.396  1846.72  148.339   43.962   1.4343   42.817   1.7847 1.144588 2.289626 
1 1 1   25   30    3 o   34.412   1.2774  1169.71   82.684  1096.99  103.464  1298.22  137.552   33.099   1.6103   35.724   1.9835 -2.625484 2.554880 
1 1 1   25   31    0 o   35.014   1.0647  1216.77   71.516  1250.31  110.472  1192.58   93.832   35.364   1.6093   34.664   1.3945 0.6998482 2.129382 
1 1 1   25   31    1 o   24.456   1.7049  635.698   78.094  697.591  101.793  547.157  121.749   26.186   2.0026   22.726   2.7598 3.459705 3.409829 
1 1 1   25   31    2 o   21.752   1.8209  488.199   75.790  388.228  101.028  616.878  114.620   19.154   2.7172   24.350   2.4249 -5.196428 3.641897 
1 1 1   25   32    0 o   20.142   1.9421  425.620   75.543  385.981  100.858  476.277  114.016   19.101   2.7202   21.183   2.7727 -2.082811 3.884240 
1 1 1   25   32    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0    0 o   4.6222   2.2361 -53.3037   63.665 -36.4829   87.348 -72.3665   92.987   4.7699   3.2230   4.4745   3.1004 -0.000000 0.000000 
1 1 1   26    0    1 o   26.118   1.3881  683.336   69.116  747.409   97.179  617.749   98.321   27.424   1.8447   24.812   2.0747 -0.000000 0.000000 
1 1 1   26    0    2 o   31.846   1.2119  1001.84   74.386  996.053  103.498  1008.03  106.983   31.757   1.6898   31.934   1.7376 -0.000000 0.000000 
1 1 1   26    0    3 o   5.3286   2.4866 -16.0208   63.953 -33.9964   81.599   12.604  102.971   4.6084   3.1143   6.0488   3.8775 -0.000000 0.000000 
1 1 1   26    0    4 o   40.333   1.0737  1610.75   82.749  1685.20  110.370  1515.17  125.050   41.455   1.3750   39.210   1.6496 -0.000000 0.000000 
1 1 1   26    0    5 o   30.685   1.2984  931.192   76.224  801.490  104.157  1080.76  111.849   28.342   1.9132   33.029   1.7558 -0.000000 0.000000 
1 1 1   26    0    6 o   20.626   1.9786  457.067   71.816  522.763   97.180  378.021  106.598   22.640   2.2631   18.612   3.2462 -0.000000 0.000000 
1 1 1   26    0    7 o   6.0583   2.6723   25.127   66.121   58.167   89.270 -15.0297   98.416   6.7282   3.9762   5.3884   3.5712 -0.000000 0.000000 
1 1 1   26    0    8 o   9.7367   3.3911  149.779   75.905  148.240   98.232  152.059  119.581   9.7718   4.5993   9.7017   4.9845 -0.000000 0.000000 
1 1 1   26    0    9 f   38.623   1.2346  1498.48   90.862  1627.99  122.709  1341.29  135.194   40.589   1.5627   36.656   1.9119 -0.000000 0.000000 
1 1 1   26    0   10 o   9.0282   3.2512  105.562   74.672   44.051   93.144  216.203  124.921   6.3536   3.9041   11.703   5.1999 -0.000000 0.000000 
1 1 1   26    1    0 o   8.1023   2.1904   50.123   48.060   54.360   68.453   46.005   67.492   8.2516   3.1200   7.9531   3.0752 0.2985182 4.380817 
1 1 1   26    1    1 o   14.300   1.8437  214.225   49.212  262.764   68.660  162.940   70.574   16.214   2.1814   12.386   2.9730 3.828149 3.687439 
1 1 1   26    1    2 o   18.126   1.4049  326.402   49.380  307.545   68.274  347.086   71.507   17.575   2.0012   18.677   1.9723 -1.102427 2.809740 
1 1 1   26    1    3 o   13.093   1.9744  184.204   50.148  111.223   71.923  253.250   69.957   10.314   3.2308   15.872   2.2705 -5.558047 3.948849 
1 1 1   26    1    4 o   21.430   1.2343  457.552   51.149  423.480   73.559  489.447   71.171   20.629   1.8369   22.231   1.6492 -1.601765 2.468626 
1 1 1   26    1    5 o   11.250   2.0836  136.255   46.375  157.090   65.442  115.239   65.727   12.114   2.8335   10.386   3.0557 1.727839 4.167269 
1 1 1   26    1    6 o   9.2844   2.1602   82.451   48.448  133.315   68.685   32.085   68.348   11.089   3.0806   7.4799   3.0291 3.609013 4.320326 
1 1 1   26    1    7 o   24.241   1.1397  584.074   53.582  616.058   76.288  552.933   75.275   24.908   1.5778   23.574   1.6449 1.333704 2.279335 
1 1 1   26    1    8 o   20.353   1.3466  416.760   53.199  413.676   74.732  419.928   75.749   20.279   1.8984   20.427   1.9103 -0.1481590 2.693203 
1 1 1   26    1    9 o   8.7114   2.2839   69.567   52.451   42.386   75.405   95.048   73.008   7.9098   3.1891   9.5130   3.2701 -1.603189 4.567751 
1 1 1   26    1   10 o   40.911   0.8592  1655.47   68.166  1712.43   95.460  1596.21   97.372   41.650   1.1807   40.172   1.2487 1.478092 1.718485 
1 1 1   26    2    0 o   18.929   1.3569  369.330   47.757  460.558   65.213  263.814   70.134   21.621   1.5538   16.238   2.2250 5.383373 2.713845 
1 1 1   26    2    1 o   31.524   0.8582  972.825   52.477  920.738   73.296  1027.61   75.168   30.655   1.2317   32.394   1.1954 -1.739059 1.716423 
1 1 1   26    2    2 o   33.775   0.8215  1116.70   53.841  1156.18   76.669  1078.29   75.628   34.367   1.1492   33.183   1.1741 1.183910 1.642912 
1 1 1   26    2    3 o   33.428   0.8085  1097.61   52.291  1041.80   75.805  1148.28   72.227   32.600   1.1979   34.256   1.0862 -1.655537 1.617000 
1 1 1   26    2    4 o   46.805   0.7185  2141.71   65.267  2195.65   93.505  2090.46   91.142   47.379   1.0167   46.230   1.0156 1.148441 1.437047 
1 1 1   26    2    5 o   36.676   0.8146  1319.47   57.977  1323.07   83.079  1316.06   80.947   36.720   1.1655   36.631   1.1384 0.8818436E-01 1.629222 
1 1 1   26    2    6 o   10.686   2.2182  122.139   49.159  142.299   72.171  104.690   67.143   11.431   3.1510   9.9419   3.1228 1.488922 4.436323 
1 1 1   26    2    7 o   21.795   1.2429  482.869   51.508  567.222   70.991  389.096   74.850   23.916   1.5292   19.674   1.9599 4.242088 2.485865 
1 1 1   26    2    8 o   15.490   1.7569  247.369   52.810  238.159   73.985  256.935   75.404   15.187   2.5096   15.793   2.4596 -0.6060266 3.513875 
1 1 1   26    2    9 o   16.864   1.7125  293.053   55.931  270.357   76.313  319.394   82.212   16.157   2.4332   17.571   2.4103 -1.414597 3.424910 
1 1 1   26    2   10 o   9.5258   2.3359   94.713   53.175   74.351   73.591  116.960   76.921   8.7765   3.2519   10.275   3.3542 -1.498528 4.671776 
1 1 1   26    3    0 o   50.333   0.7121  2471.41   69.525  2400.57   96.028  2549.47  100.792   49.579   0.9978   51.087   1.0164 -1.508572 1.424274 
1 1 1   26    3    1 o   19.353   1.3253  372.392   49.408  430.580   70.657  316.713   69.116   20.864   1.7446   17.843   1.9955 3.021667 2.650587 
1 1 1   26    3    2 o   13.718   1.8953  198.224   49.026  251.755   68.844  143.142   69.833   15.849   2.2376   11.587   3.0596 4.262618 3.790529 
1 1 1   26    3    3 o   8.0580   2.1624   46.913   47.582   19.945   65.041   77.963   69.792   7.0600   2.9178   9.0560   3.1921 -1.995950 4.324708 
1 1 1   26    3    4 o   13.036   1.9693  180.763   49.518  126.640   70.457  233.591   69.609   10.874   3.1537   15.197   2.3596 -4.322842 3.938672 
1 1 1   26    3    5 o   28.950   0.9630  833.500   53.527  707.456   76.755  952.834   74.684   26.761   1.4775   31.139   1.2355 -4.378012 1.926024 
1 1 1   26    3    6 o   6.0147   1.9208 -29.0912   47.433 -41.8161   63.358 -12.8643   71.547   5.5247   2.5466   6.5048   2.8763 -0.9800601 3.841669 
1 1 1   26    3    7 o   25.341   1.0861  639.943   53.165  592.459   77.064  683.066   73.439   24.407   1.6266   26.276   1.4398 -1.868555 2.172293 
1 1 1   26    3    8 o   35.440   0.8674  1242.66   59.378  1301.84   81.326  1175.09   86.897   36.379   1.1516   34.500   1.2975 1.878311 1.734885 
1 1 1   26    3    9 o   11.559   2.2567  150.356   55.425  208.245   76.860   87.642   80.000   13.760   2.9649   9.3577   3.4030 4.402492 4.513441 
1 1 1   26    3   10 o   16.496   1.8294  285.406   58.534  277.058   80.820  294.615   84.889   16.255   2.5613   16.737   2.6128 -0.4818726 3.658849 
1 1 1   26    4    0 o   17.166   1.4063  298.263   45.970  336.876   62.281  252.051   68.134   18.457   1.7383   15.875   2.2110 2.582364 2.812502 
1 1 1   26    4    1 o   41.030   0.7486  1645.78   59.597  1583.65   84.073  1708.54   84.494   40.247   1.0761   41.814   1.0410 -1.566597 1.497216 
1 1 1   26    4    2 o   37.979   0.7658  1407.82   56.340  1455.15   82.877  1367.15   76.821   38.565   1.1071   37.394   1.0583 1.171452 1.531553 
1 1 1   26    4    3 f   27.464   0.9279  738.094   49.371  795.390   72.484  688.508   67.431   28.454   1.3123   26.474   1.3121 1.980711 1.855750 
1 1 1   26    4    4 o   30.820   0.8804  932.256   52.653  910.475   73.289  955.491   75.694   30.450   1.2399   31.191   1.2502 -0.7406750 1.760759 
1 1 1   26    4    5 o   38.608   0.8088  1462.14   60.614  1445.22   85.237  1479.44   86.214   38.383   1.1440   38.834   1.1437 -0.4518204 1.617623 
1 1 1   26    4    6 o   17.192   1.5624  302.056   51.485  254.460   73.876  347.003   71.791   15.795   2.4095   18.588   1.9896 -2.793633 3.124749 
1 1 1   26    4    7 o   7.0683   2.1033   10.647   50.547   42.078   69.898 -23.8082   73.184   7.7979   3.0952   6.3387   2.8487 1.459198 4.206604 
1 1 1   26    4    8 o   14.839   1.8970  232.889   53.133  196.764   74.088  271.143   76.240   13.443   2.9225   16.234   2.4193 -2.790584 3.793940 
1 1 1   26    4    9 o   29.431   1.0118  854.928   56.020  838.139   70.691  883.271   91.847   29.125   1.2503   29.737   1.5911 -0.6117573 2.023607 
1 1 1   26    4   10 f   8.0985   2.2497   26.812   57.660 -48.8993   79.644  110.201   83.585   6.1136   2.8311   10.083   3.4971 -3.969802 4.499449 
1 1 1   26    5    0 o   28.337   0.9484  788.099   52.167  796.888   73.837  779.339   73.714   28.496   1.3348   28.177   1.3477 0.3185062 1.896839 
1 1 1   26    5    1 o   17.353   1.4455  299.562   48.651  283.753   67.498  316.655   70.187   16.873   2.0608   17.832   2.0276 -0.9588699 2.891030 
1 1 1   26    5    2 o   38.644   0.7838  1460.30   58.777  1417.23   81.951  1505.93   84.348   38.057   1.1093   39.230   1.1076 -1.173298 1.567610 
1 1 1   26    5    3 o   30.663   0.9106  923.304   54.193  903.721   76.298  943.242   76.988   30.333   1.2958   30.993   1.2796 -0.6606903 1.821143 
1 1 1   26    5    4 o   7.7409   2.1740   34.308   50.362   0.7533   72.573   65.477   69.946   6.8813   2.9721   8.6004   3.1736 -1.719153 4.347992 
1 1 1   26    5    5 o   19.469   1.3587  383.411   50.713  335.651   74.372  424.919   69.332   18.267   2.0973   20.670   1.7279 -2.402845 2.717457 
1 1 1   26    5    6 o   28.402   1.0084  795.899   55.493  779.353   75.897  814.904   81.343   28.097   1.3915   28.707   1.4597 -0.6094818 2.016701 
1 1 1   26    5    7 o   15.552   1.7742  252.005   52.293  266.870   73.343  236.635   74.580   16.170   2.3367   14.935   2.6705 1.234365 3.548417 
1 1 1   26    5    8 o   29.557   1.0109  871.330   57.274  905.729   76.207  826.682   86.821   30.286   1.2963   28.828   1.5515 1.458097 2.021734 
1 1 1   26    5    9 o   7.0214   2.1464   5.1391   53.855   20.269   76.723  -9.5562   75.613   7.3744   3.1164   6.6683   2.9523 0.7060609 4.292805 
1 1 1   26    6    0 o   29.438   0.9066  849.393   51.796  872.092   74.131  827.739   72.403   29.823   1.2805   29.054   1.2838 0.7690296 1.813207 
1 1 1   26    6    1 o   10.111   2.2072  105.017   48.218  128.865   69.348   82.696   67.090   11.021   3.1074   9.2010   3.1354 1.820069 4.414379 
1 1 1   26    6    2 o   31.863   0.8335  994.563   51.551  1013.55   73.222  975.906   72.589   32.166   1.1727   31.560   1.1849 0.6059799 1.667057 
1 1 1   26    6    3 o   29.646   0.9081  865.158   52.101  832.852   75.807  894.080   71.727   29.104   1.3418   30.188   1.2240 -1.083441 1.816207 
1 1 1   26    6    4 o   57.310   0.7275  3212.84   80.916  3148.45  113.112  3280.32  115.802   56.722   1.0273   57.897   1.0304 -1.174339 1.454984 
1 1 1   26    6    5 o   32.447   0.9029  1037.45   56.727  1065.35   78.212  1006.48   82.401   32.926   1.2237   31.968   1.3279 0.9575729 1.805728 
1 1 1   26    6    6 f   27.218   0.9935  734.371   52.234  698.708   76.595  765.376   71.418   26.571   1.4850   27.866   1.3203 -1.295053 1.987055 
1 1 1   26    6    7 o   19.581   1.4721  398.169   54.189  453.301   71.999  326.135   82.299   21.305   1.7409   17.856   2.3743 3.448538 2.944195 
1 1 1   26    6    8 o   19.761   1.3362  393.708   50.896  337.298   71.073  453.083   72.918   18.261   2.0050   21.261   1.7668 -2.999699 2.672340 
1 1 1   26    6    9 o   12.419   2.3073  171.823   55.964  153.539   73.861  196.470   85.754   11.692   3.1732   13.146   3.3505 -1.453864 4.614658 
1 1 1   26    7    0 o   35.422   0.8130  1227.56   55.895  1196.74   78.357  1259.49   79.756   34.968   1.1544   35.876   1.1453 -0.9073105 1.626081 
1 1 1   26    7    1 o   28.731   0.9445  809.904   52.598  871.803   75.396  751.221   73.412   29.807   1.3030   27.654   1.3675 2.153265 1.888948 
1 1 1   26    7    2 o   21.403   1.2446  459.041   50.848  550.774   71.713  366.294   72.108   23.624   1.5638   19.181   1.9366 4.442751 2.489149 
1 1 1   26    7    3 o   27.678   0.9821  754.937   52.491  762.849   70.936  745.361   78.037   27.860   1.3117   27.497   1.4620 0.3627396 1.964184 
1 1 1   26    7    4 o   16.761   1.5341  282.836   49.857  281.300   72.095  284.244   69.022   16.702   2.2237   16.819   2.1141 -0.1175461 3.068252 
1 1 1   26    7    5 o   21.226   1.3384  460.980   53.197  327.448   75.623  591.789   74.848   18.016   2.1624   24.437   1.5778 -6.421530 2.676865 
1 1 1   26    7    6 o   41.983   0.7977  1731.88   64.803  1751.11   88.475  1709.62   95.183   42.255   1.0786   41.711   1.1756 0.5441055 1.595428 
1 1 1   26    7    7 o   43.852   0.7615  1887.39   64.822  1885.21   91.322  1889.60   92.028   43.828   1.0734   43.876   1.0805 -0.4776382E-01 1.523036 
1 1 1   26    7    8 o   19.480   1.4889  380.947   55.845  350.308   73.497  422.800   85.899   18.593   2.0364   20.367   2.1727 -1.773973 2.977853 
1 1 1   26    7    9 o   26.003   1.1945  676.983   60.201  651.631   82.383  706.034   88.188   25.494   1.6647   26.512   1.7136 -1.017694 2.389035 
1 1 1   26    8    0 o   18.352   1.3143  333.911   46.622  332.611   63.055  335.479   69.247   18.331   1.7720   18.374   1.9415 -0.4306793E-01 2.628596 
1 1 1   26    8    1 f   20.925   1.2287  435.268   49.388  512.440   70.480  360.816   69.227   22.788   1.5933   19.063   1.8708 3.725464 2.457312 
1 1 1   26    8    2 o   8.2454   2.1560   50.014   48.260   94.354   69.280   8.2186   67.263   9.6446   3.1850   6.8461   2.9069 2.798511 4.312083 
1 1 1   26    8    3 o   11.644   2.1564  145.690   49.336  152.834   70.461  138.818   69.101   11.921   3.0364   11.367   3.0627 0.5548306 4.312795 
1 1 1   26    8    4 o   22.166   1.1936  486.029   51.266  456.017   70.065  520.611   75.211   21.434   1.6840   22.899   1.6920 -1.465334 2.387189 
1 1 1   26    8    5 o   52.036   0.7343  2651.20   74.080  2630.94  102.029  2673.78  107.732   51.837   1.0140   52.235   1.0625 -0.3980827 1.468661 
1 1 1   26    8    6 o   34.301   0.8934  1157.75   59.352  1055.23   82.708  1266.60   85.222   32.721   1.3021   35.881   1.2236 -3.159698 1.786785 
1 1 1   26    8    7 o   7.6599   2.2078   21.268   53.016 -16.6865   69.933   72.557   81.294   6.3203   2.8165   8.9996   3.4008 -2.679311 4.415633 
1 1 1   26    8    8 o   19.179   1.4869  376.355   54.905  398.462   74.637  350.283   81.054   19.864   1.9356   18.495   2.2576 1.368723 2.973822 
1 1 1   26    8    9 o   20.269   1.4237  419.929   55.421  432.244   73.984  404.181   83.658   20.685   1.8425   19.852   2.1709 0.8332939 2.847398 
1 1 1   26    9    0 o   21.809   1.1525  469.602   48.780  481.754   68.951  457.425   69.019   22.097   1.6075   21.522   1.6521 0.5750523 2.305079 
1 1 1   26    9    1 o   8.0807   2.1309   51.289   46.416   79.109   63.461   19.287   68.065   8.9831   3.0495   7.1782   2.9772 1.804924 4.261832 
1 1 1   26    9    2 o   36.145   0.8004  1275.30   56.065  1194.39   76.762  1367.80   82.081   34.920   1.1324   37.369   1.1315 -2.449329 1.600854 
1 1 1   26    9    3 o   11.640   2.1826  146.191   50.114  150.469   69.174  141.466   72.700   11.829   3.0063   11.451   3.1651 0.3778076 4.365256 
1 1 1   26    9    4 o   16.583   1.6599  291.142   49.923  212.595   72.952  360.321   68.464   14.163   2.7526   19.003   1.8560 -4.839310 3.319890 
1 1 1   26    9    5 o   27.476   1.0343  748.055   54.953  770.375   75.238  722.532   80.455   27.941   1.3872   27.010   1.5345 0.9310303 2.068550 
1 1 1   26    9    6 f   22.923   1.2463  525.570   55.234  536.419   75.318  512.948   81.243   23.211   1.6716   22.634   1.8491 0.5770416 2.492640 
1 1 1   26    9    7 o   36.136   0.8889  1290.21   61.987  1315.97   83.771  1259.02   92.155   36.569   1.1801   35.703   1.3297 0.8659134 1.777823 
1 1 1   26    9    8 o   22.778   1.2749  524.359   55.784  543.781   74.653  499.804   83.941   23.323   1.6489   22.234   1.9449 1.089123 2.549805 
1 1 1   26    9    9 o   10.978   2.3951  137.393   56.744  155.469   75.279  113.608   86.352   11.731   3.2117   10.224   3.5541 1.507089 4.790244 
1 1 1   26   10    0 o   28.476   0.9446  795.925   52.178  788.894   72.285  803.574   75.394   28.350   1.3135   28.601   1.3580 -0.2515545 1.889261 
1 1 1   26   10    1 o   31.318   0.8980  964.167   54.440  1047.92   77.056  880.698   76.924   32.693   1.2142   29.942   1.3235 2.750130 1.796053 
1 1 1   26   10    2 o   14.839   1.7374  226.643   48.731  205.001   69.101  248.053   68.731   13.981   2.6431   15.697   2.2556 -1.716585 3.474720 
1 1 1   26   10    3 f   6.7997   2.0558   4.6214   48.480   18.641   67.258 -10.5403   69.944   7.0938   2.9523   6.5056   2.8617 0.5882196 4.111628 
1 1 1   26   10    4 o   29.193   0.9928  838.019   56.164  793.840   76.781  888.861   82.368   28.371   1.3942   30.014   1.4137 -1.643267 1.985533 
1 1 1   26   10    5 f   24.133   1.1388  577.301   53.162  567.853   71.986  588.635   78.844   23.936   1.5493   24.330   1.6694 -0.3935089 2.277556 
1 1 1   26   10    6 o   14.933   1.8380  232.817   51.608  230.772   68.504  235.501   78.480   15.036   2.3469   14.830   2.8294 0.2064142 3.676094 
1 1 1   26   10    7 o   7.3127   2.2055   11.642   55.114  -1.8468   74.549   27.902   81.848   6.8307   2.9807   7.7946   3.2515 -0.9638739 4.411000 
1 1 1   26   10    8 o   31.934   0.9782  1009.44   60.241  996.761   80.492  1025.57   90.827   31.743   1.3063   32.125   1.4565 -0.3819866 1.956475 
1 1 1   26   10    9 o   22.944   1.2659  530.716   55.871  442.545   77.367  626.814   80.770   20.894   1.9075   24.993   1.6648 -4.099356 2.531826 
1 1 1   26   11    0 o   20.448   1.2001  412.977   47.575  385.634   65.917  442.705   68.734   19.737   1.7205   21.158   1.6735 -1.421255 2.400157 
1 1 1   26   11    1 o   9.1515   2.2388   80.582   49.121  100.204   68.316   59.580   70.679   9.8508   3.1564   8.4522   3.1760 1.398588 4.477672 
1 1 1   26   11    2 o   22.618   1.1861  509.796   51.745  563.767   72.303  453.130   74.086   23.884   1.5595   21.352   1.7874 2.531384 2.372106 
1 1 1   26   11    3 o   43.379   0.7691  1837.36   64.618  1755.33   87.839  1934.10   95.395   42.335   1.0689   44.424   1.1062 -2.089222 1.538265 
1 1 1   26   11    4 o   23.207   1.1415  533.825   51.383  504.765   71.671  564.558   73.705   22.551   1.6373   23.864   1.5911 -1.312983 2.283018 
1 1 1   26   11    5 o   12.145   2.2418  160.281   53.149  148.587   70.997  175.190   80.163   11.673   3.0862   12.618   3.2523 -0.9452143 4.483541 
1 1 1   26   11    6 o   12.672   2.1715  179.503   53.718  219.448   73.121  132.664   79.179   14.341   2.7262   11.003   3.3806 3.338633 4.342920 
1 1 1   26   11    7 o   16.207   1.7899  277.765   53.742  292.192   70.620  257.911   82.842   16.950   2.1462   15.464   2.8652 1.486246 3.579878 
1 1 1   26   11    8 o   14.842   1.8935  235.518   52.854  281.469   75.571  191.518   73.950   16.508   2.3583   13.177   2.9630 3.330695 3.786944 
1 1 1   26   11    9 o   10.489   2.4291  121.091   56.777  107.138   75.773  138.955   85.735   9.9185   3.3324   11.060   3.5352 -1.141512 4.858176 
1 1 1   26   12    0 o   24.861   1.0631  609.094   51.292  591.342   71.828  627.564   73.267   24.490   1.5109   25.233   1.4958 -0.7428074 2.126120 
1 1 1   26   12    1 o   36.973   0.8001  1339.44   57.383  1345.96   79.796  1332.45   82.578   37.073   1.1088   36.873   1.1537 0.2000160 1.600137 
1 1 1   26   12    2 o   35.337   0.8299  1228.22   56.734  1332.47   79.785  1121.59   80.689   36.876   1.1146   33.797   1.2299 3.078537 1.659806 
1 1 1   26   12    3 o   19.495   1.3898  380.325   52.581  372.190   73.418  388.891   75.340   19.282   1.9615   19.708   1.9694 -0.4254608 2.779533 
1 1 1   26   12    4 o   19.241   1.4490  372.444   53.663  373.380   71.519  371.238   81.177   19.313   1.9077   19.168   2.1817 0.1449986 2.898089 
1 1 1   26   12    5 o   33.633   0.8673  1113.02   56.528  1030.36   79.230  1198.72   80.674   32.348   1.2618   34.918   1.1902 -2.570457 1.734523 
1 1 1   26   12    6 o   21.215   1.3375  451.870   54.522  450.481   72.168  453.717   83.219   21.228   1.7513   21.202   2.0220 0.2619934E-01 2.674955 
1 1 1   26   12    7 o   34.779   0.9142  1193.87   61.587  1179.78   84.187  1210.09   90.332   34.576   1.2543   34.982   1.3303 -0.4055099 1.828363 
1 1 1   26   12    8 o   12.410   2.2267  177.093   55.263  221.883   74.809  123.289   81.992   14.280   2.7988   10.540   3.4641 3.740211 4.453424 
1 1 1   26   13    0 o   14.723   1.7369  221.831   48.256  190.742   66.494  256.423   70.141   13.483   2.6351   15.963   2.2635 -2.480659 3.473800 
1 1 1   26   13    1 o   9.2746   2.1169   79.812   48.287  139.930   67.522   16.882   69.082   11.418   3.0054   7.1315   2.9821 4.286259 4.233816 
1 1 1   26   13    2 o   10.516   2.3067  118.121   52.242  130.541   70.250  102.754   78.142   11.011   3.1356   10.020   3.3840 0.9904833 4.613388 
1 1 1   26   13    3 o   10.303   2.3149  112.252   51.879  109.341   70.094  115.777   77.148   10.158   3.1907   10.449   3.3549 -0.2901688 4.629880 
1 1 1   26   13    4 o   27.236   0.9971  732.008   52.665  719.988   72.666  745.308   76.435   27.009   1.3860   27.464   1.4337 -0.4548168 1.994149 
1 1 1   26   13    5 o   21.340   1.3258  452.207   54.637  414.812   72.895  500.147   82.536   20.353   1.8450   22.327   1.9044 -1.973270 2.651550 
1 1 1   26   13    6 o   23.926   1.1817  568.084   54.533  484.819   74.494  664.224   80.047   22.018   1.7429   25.833   1.5962 -3.815256 2.363420 
1 1 1   26   13    7 o   10.553   2.2064  123.280   55.146  189.161   72.214   31.107   85.416   13.149   2.9064   7.9557   3.3204 5.193583 4.412741 
1 1 1   26   13    8 o   7.8730   2.2764   38.995   55.230   35.972   77.766   42.072   78.452   7.7831   3.2008   7.9628   3.2378 -0.1797094 4.552836 
1 1 1   26   14    0 o   4.5430   1.5811 -137.2212   48.819 -117.9392   64.293 -163.4762   75.023   4.4960   2.2003   4.5901   2.2713 -0.9413528E-01 3.162260 
1 1 1   26   14    1 o   17.102   1.4852  297.458   48.520  324.622   65.251  263.862   72.568   18.047   1.8626   16.156   2.3139 1.890917 2.970368 
1 1 1   26   14    2 o   31.691   0.9180  987.019   56.313  973.552   76.558  1002.90   83.124   31.471   1.2532   31.912   1.3419 -0.4412804 1.836060 
1 1 1   26   14    3 o   19.980   1.4089  404.073   54.087  436.520   73.609  365.994   79.741   20.916   1.8130   19.044   2.1570 1.871738 2.817743 
1 1 1   26   14    4 o   14.432   2.0271  217.349   54.276  180.933   70.663  269.747   84.762   12.956   2.8839   15.908   2.8495 -2.952469 4.054238 
1 1 1   26   14    5 o   15.396   1.8523  259.157   51.587  304.032   67.802  197.472   79.493   17.368   2.0111   13.424   3.1113 3.943135 3.704673 
1 1 1   26   14    6 o   10.768   2.3199  127.732   55.480  169.665   75.234   77.746   82.142   12.386   3.1283   9.1503   3.4267 3.235394 4.639865 
1 1 1   26   14    7 o   11.100   2.3978  138.275   56.310  141.006   75.512  134.854   84.515   11.221   3.2679   10.980   3.5100 0.2418594 4.795696 
1 1 1   26   14    8 o   6.2465   2.0288 -39.5526   55.883 -34.0022   74.738 -46.5906   84.160   6.1464   2.8081   6.3467   2.9289 -0.2003345 4.057544 
1 1 1   26   15    0 o   17.032   1.4953  291.743   49.306  282.121   71.608  300.417   67.990   16.740   2.2036   17.324   2.0218 -0.5835247 2.990590 
1 1 1   26   15    1 o   16.827   1.7185  305.779   51.478  383.610   69.369  210.382   76.799   19.622   1.8212   14.032   2.9148 5.590663 3.436963 
1 1 1   26   15    2 o   28.465   1.0229  799.653   56.170  795.687   75.290  804.631   84.353   28.412   1.3651   28.517   1.5238 -0.1055374 2.045854 
1 1 1   26   15    3 o   26.616   1.0843  711.095   55.043  766.251   73.298  639.769   83.352   27.874   1.3546   25.358   1.6933 2.516779 2.168504 
1 1 1   26   15    4 o   9.0341   2.1559   64.625   51.768 -12.5115   72.243  146.041   74.219   6.5302   2.8887   11.538   3.2012 -5.007918 4.311899 
1 1 1   26   15    5 o   23.353   1.2588  552.410   56.155  595.292   75.100  498.028   84.572   24.468   1.5812   22.238   1.9591 2.229637 2.517564 
1 1 1   26   15    6 o   19.123   1.5246  375.091   55.934  394.776   75.032  350.467   83.917   19.772   1.9550   18.474   2.3400 1.297453 3.049218 
1 1 1   26   15    7 o   18.414   1.6055  349.977   56.564  356.019   74.517  341.762   86.887   18.697   2.0531   18.130   2.4688 0.5670128 3.210964 
1 1 1   26   15    8 o   34.332   0.9574  1169.98   63.785  1144.29   90.510  1195.33   89.905   33.946   1.3735   34.717   1.3341 -0.7709618 1.914765 
1 1 1   26   16    0 o   28.914   0.9577  821.393   52.870  813.104   68.683  833.447   82.826   28.772   1.2297   29.057   1.4684 -0.2845745 1.915346 
1 1 1   26   16    1 o   8.3181   2.1204   48.944   50.906  112.967   67.286 -36.7598   77.849   10.291   3.1072   6.3451   2.8861 3.945920 4.240779 
1 1 1   26   16    2 o   13.225   1.9519  184.165   51.358   80.206   69.924  305.937   75.678   9.0671   3.1952   17.383   2.2428 -8.315609 3.903784 
1 1 1   26   16    3 o   14.285   1.9881  217.876   53.434  233.225   71.240  198.134   80.792   15.107   2.4293   13.464   3.1477 1.643135 3.976109 
1 1 1   26   16    4 o   20.355   1.3649  410.119   53.498  367.623   70.451  468.000   82.219   19.140   1.8962   21.570   1.9636 -2.429913 2.729716 
1 1 1   26   16    5 o   12.935   2.0311  178.294   52.409   99.334   71.729  268.723   76.762   9.7117   3.2423   16.159   2.4472 -6.446961 4.062217 
1 1 1   26   16    6 o   18.911   1.8648  366.887   67.825  439.099  103.883  313.235   89.543   20.518   2.6082   17.303   2.6659 3.215284 3.729582 
1 1 1   26   16    7 o   7.5287   2.0875   5.2620   52.969  102.809   75.157 -91.0140   74.665   9.7734   3.3186   5.2839   2.5333 4.489531 4.175015 
1 1 1   26   17    0 o   20.770   1.2533  429.553   50.482  431.150   69.932  427.816   72.948   20.823   1.7301   20.717   1.8139 0.1052341 2.506675 
1 1 1   26   17    1 o   11.198   2.2223  134.085   50.311  113.766   67.650  159.230   75.258   10.313   3.1160   12.083   3.1693 -1.769822 4.444541 
1 1 1   26   17    2 o   35.996   0.8765  1269.36   60.602  1239.24   79.708  1310.64   93.297   35.523   1.1559   36.469   1.3179 -0.9453621 1.752981 
1 1 1   26   17    3 o   24.424   1.1551  593.065   54.539  591.602   73.836  594.821   80.907   24.417   1.5578   24.430   1.7060 -0.1312637E-01 2.310260 
1 1 1   26   17    4 o   27.901   1.0706  775.390   57.752  830.060   80.286  716.768   83.136   28.958   1.4282   26.845   1.5954 2.113297 2.141292 
1 1 1   26   17    5 o   46.866   0.8048  2162.88   72.547  2177.94   96.521  2143.34  109.987   47.097   1.0557   46.635   1.2150 0.4623337 1.609576 
1 1 1   26   17    6 o   24.655   1.1902  604.865   56.769  554.270   76.632  666.397   84.510   23.523   1.6783   25.788   1.6882 -2.264988 2.380494 
1 1 1   26   17    7 o   9.6802   2.3925   91.346   57.572   45.894   77.811  146.329   85.582   8.0405   3.2404   11.320   3.5207 -3.279339 4.784957 
1 1 1   26   18    0 o   35.539   0.8558  1231.88   58.303  1185.77   76.045  1297.64   90.814   34.767   1.1268   36.311   1.2884 -1.543900 1.711612 
1 1 1   26   18    1 o   17.156   1.5917  297.954   52.401  295.980   69.060  300.632   80.449   17.143   2.0752   17.168   2.4140 -0.2465630E-01 3.183367 
1 1 1   26   18    2 o   5.9255   1.9157 -48.9061   51.561  -2.6953   67.699 -112.7416   79.568   6.5433   2.8483   5.3078   2.5627 1.235414 3.831415 
1 1 1   26   18    3 o   22.970   1.2172  526.365   53.785  525.516   71.451  527.475   81.703   22.991   1.6010   22.949   1.8340 0.4203796E-01 2.434479 
1 1 1   26   18    4 o   18.377   1.6098  334.340   56.231  255.128   73.316  447.509   87.633   15.764   2.3958   20.990   2.1508 -5.225521 3.219604 
1 1 1   26   18    5 o   35.668   0.9241  1253.43   63.796  1205.72   86.377  1310.69   94.627   34.940   1.2735   36.396   1.3394 -1.455795 1.848189 
1 1 1   26   18    6 o   20.218   1.4814  417.045   57.295  415.593   74.980  419.083   88.822   20.261   1.9064   20.174   2.2681 0.8722305E-01 2.962850 
1 1 1   26   19    0 o   14.804   1.8706  224.242   52.219  191.957   68.633  268.623   80.470   13.427   2.7262   16.180   2.5621 -2.752311 3.741232 
1 1 1   26   19    1 f   13.841   1.9994  212.718   52.039  264.348   69.312  146.015   78.783   16.152   2.2106   11.530   3.3322 4.622068 3.998782 
1 1 1   26   19    2 o   16.024   1.7189  261.046   53.268  238.627   71.781  288.526   79.471   15.267   2.4221   16.781   2.4396 -1.514232 3.437712 
1 1 1   26   19    3 o   16.578   1.6741  281.444   53.399  281.734   71.094  281.068   80.885   16.647   2.2001   16.509   2.5240 0.1375694 3.348259 
1 1 1   26   19    4 f   21.699   1.4134  494.149   57.022  578.482   75.519  382.305   86.969   24.087   1.6151   19.311   2.3200 4.776102 2.826826 
1 1 1   26   19    5 o   47.439   0.9339  2244.79   84.640  2117.85  129.633  2339.12  111.747   46.169   1.4464   48.708   1.1819 -2.539394 1.867878 
1 1 1   26   19    6 o   27.810   1.1190  770.845   60.300  728.153   82.400  820.068   88.478   26.988   1.5728   28.631   1.5920 -1.642555 2.237906 
1 1 1   26   20    0 o   8.8851   1.9847   63.614   50.555  152.777   65.062 -72.2443   80.312   11.899   2.8536   5.8710   2.7593 6.028086 3.969480 
1 1 1   26   20    1 o   14.303   1.8984  216.670   51.023  228.175   68.286  202.127   76.771   14.953   2.3525   13.653   2.9802 1.299703 3.796871 
1 1 1   26   20    2 o   7.0975   2.1575   5.5732   54.194   27.699   71.075 -25.1558   83.761   7.4241   3.0574   6.7710   3.0449 0.6530871 4.314958 
1 1 1   26   20    3 o   20.798   1.4248  429.820   57.034  374.114   75.199  505.259   87.511   19.239   2.0136   22.357   2.0164 -3.117989 2.849628 
1 1 1   26   20    4 f   15.056   1.9499  242.072   55.072  245.936   72.961  236.956   83.959   15.426   2.4365   14.686   3.0451 0.7407293 3.899898 
1 1 1   26   20    5 o   16.541   1.7734  285.012   56.721  282.163   76.818  288.427   84.106   16.499   2.3985   16.583   2.6128 -0.8391380E-01 3.546783 
1 1 1   26   20    6 o   17.189   1.8415  309.294   58.681  232.826   78.648  405.322   88.134   14.570   2.8828   19.808   2.2921 -5.238188 3.683005 
1 1 1   26   21    0 o   24.868   1.1461  619.293   54.730  651.837   73.515  578.831   81.972   25.656   1.4761   24.079   1.7537 1.577618 2.292271 
1 1 1   26   21    1 o   11.159   2.3118  132.350   53.242  104.534   69.723  171.258   82.460   9.9106   3.1901   12.407   3.3468 -2.496836 4.623618 
1 1 1   26   21    2 f   35.094   0.9107  1206.81   60.874  1172.61   78.349  1258.90   96.697   34.522   1.1692   35.666   1.3966 -1.144508 1.821412 
1 1 1   26   21    3 o   24.356   1.1775  592.398   55.654  577.898   77.510  607.831   79.962   24.050   1.6602   24.661   1.6703 -0.6107159 2.355071 
1 1 1   26   21    4 o   20.737   1.4155  439.376   56.546  472.768   77.556  401.481   82.619   21.653   1.8452   19.822   2.1472 1.830263 2.831080 
1 1 1   26   21    5 o   32.536   1.0124  1064.01   63.220  1169.80   86.367  941.891   92.793   34.369   1.2945   30.703   1.5569 3.665462 2.024795 
1 1 1   26   22    0 o   9.3090   2.0574   85.754   51.325  155.956   64.163 -38.9776   85.525   12.012   2.8029   6.6057   3.0125 5.406661 4.114722 
1 1 1   26   22    1 o   7.7301   2.1880   22.219   51.816 -22.4161   67.683   85.425   80.541   6.0909   2.7383   9.3693   3.4134 -3.278457 4.375985 
1 1 1   26   22    2 o   13.871   2.0482  205.239   54.747  133.242   74.313  290.694   80.961   10.972   3.2548   16.769   2.4871 -5.797112 4.096305 
1 1 1   26   22    3 o   25.097   1.2007  632.011   58.036  639.222   77.684  622.904   87.306   25.312   1.5811   24.883   1.8075 0.4288559 2.401422 
1 1 1   26   22    4 o   14.668   2.0544  240.103   56.219  274.180   74.312  194.498   85.967   16.278   2.3518   13.058   3.3691 3.219922 4.108732 
1 1 1   26   22    5 o   13.202   2.5613  203.354   67.329  200.569  102.275  205.485   89.444   13.028   3.8057   13.375   3.4290 -0.3463240 5.122644 
1 1 1   26   23    0 o   11.105   2.2364  135.735   52.909  182.991   73.517   84.961   76.204   12.936   2.9879   9.2740   3.3283 3.661775 4.472773 
1 1 1   26   23    1 o   12.538   2.0841  179.787   53.643  249.088   71.432   90.157   81.237   15.570   2.3634   9.5053   3.4334 6.064746 4.168202 
1 1 1   26   23    2 o   9.0752   2.3279   79.117   55.489  112.896   72.387   30.985   86.409   10.171   3.2480   7.9795   3.3358 2.191442 4.655859 
1 1 1   26   23    3 o   9.1269   2.3449   81.891   55.099  107.875   74.248   50.044   82.201   9.9592   3.2976   8.2945   3.3348 1.664704 4.689900 
1 1 1   26   23    4 o   7.7285   2.2217  -4.0066   58.225 -85.2956   76.821  105.736   89.259   5.4567   2.6035  10.0000   3.6008 -4.543632 4.443385 
1 1 1   26   24    0 o   6.0970   1.9880 -57.7535   54.012 -92.5320   70.019  -6.6518   84.875   5.0592   2.4328   7.1349   3.1449 -2.075637 3.976071 
1 1 1   26   24    1 o   11.039   2.3597  138.310   56.458  167.861   74.143   97.529   87.099   12.285   3.1070   9.7929   3.5524 2.492555 4.719380 
1 1 1   26   24    2 o   9.6384   2.3938   96.682   55.204   89.354   73.976  105.891   82.930   9.3080   3.2858   9.9687   3.4819 -0.6607609 4.787518 
1 1 1   26   24    3 o   10.786   2.3660  131.727   56.274  162.238   75.864   94.402   83.910   11.984   3.2006   9.5883   3.4854 2.395878 4.732043 
1 1 1   26   25    0 o   26.270   1.1214  688.912   56.479  690.354   74.372  686.947   86.809   26.360   1.4534   26.180   1.7082 0.1801167 2.242849 
1 1 1   26   25    1 o   35.484   0.9152  1246.46   62.422  1249.20   82.803  1242.85   95.007   35.577   1.1990   35.390   1.3830 0.1872482 1.830327 
1 1 1   26   25    2 o   7.7561   2.2539   28.675   57.471   70.202   75.284 -29.3235   88.971   8.6845   3.2749   6.8276   3.0977 1.856846 4.507845 
1 1 1   26   26    0 f   28.271   1.1294  811.534   60.817  887.097   81.260  715.303   91.701   29.887   1.4007   26.656   1.7722 3.230757 2.258879 
1 1 1   26   26    1 o   29.960   1.0967  907.669   61.964  949.269   79.946  845.077   98.065   30.943   1.3310   28.978   1.7434 1.964970 2.193365 
1 1 1   26   27    0 o   7.7130   2.2544   24.588   53.955  -1.6933   68.133   68.788   88.359   6.5008   2.8428   8.9252   3.4998 -2.424372 4.508897 
1 1 1   27    0    0 o   6.9009   2.8563   37.354   70.112 -33.3731   95.732  119.183  102.971   5.0441   3.3981   8.7576   4.5921 -0.000000 0.000000 
1 1 1   27    0    1 o   6.6649   2.8885   45.815   71.435   39.340   97.194   53.422  105.346   6.4216   3.9656   6.9082   4.2010 -0.000000 0.000000 
1 1 1   27    0    2 o   5.3478   2.5099 -24.5037   71.243   17.221   94.216 -80.2192  108.872   5.8664   3.7401   4.8292   3.3483 -0.000000 0.000000 
1 1 1   27    0    3 o   7.6161   3.0254   85.058   66.123   84.303   82.848   86.383  109.749   7.4648   4.0561   7.7674   4.4901 -0.000000 0.000000 
1 1 1   27    0    4 o   18.476   2.3036  379.340   73.070  407.781   97.930  343.618  109.750   19.642   2.7166   17.311   3.7210 -0.000000 0.000000 
1 1 1   27    0    5 o   7.2252   2.9525   47.310   74.883 -35.3184  103.573  137.811  108.394   5.1978   3.5114   9.2526   4.7475 -0.000000 0.000000 
1 1 1   27    0    6 o   7.8359   3.1225   94.147   73.276  110.692   98.980   74.083  108.999   8.3235   4.4616   7.3484   4.3698 -0.000000 0.000000 
1 1 1   27    1    0 o   9.1088   2.2396   78.948   49.506  108.461   71.335   51.527   68.760   10.131   3.2232   8.0862   3.1103 2.045246 4.479137 
1 1 1   27    1    1 o   6.4120   1.9557 -27.9656   49.035   44.313   69.208 -100.8237   69.485   7.8672   3.0934   4.9568   2.3936 2.910356 3.911311 
1 1 1   27    1    2 o   25.463   1.0992  642.750   54.251  596.722   75.830  691.010   77.648   24.516   1.5934   26.410   1.5146 -1.894436 2.198392 
1 1 1   27    1    3 f   18.124   1.4970  335.685   51.730  266.059   73.175  405.245   73.141   16.146   2.3347   20.102   1.8743 -3.956518 2.994010 
1 1 1   27    1    4 o   8.3693   2.2190   56.947   50.270   23.918   69.845   92.446   72.410   7.2651   3.0148   9.4735   3.2567 -2.208418 4.437924 
1 1 1   27    1    5 o   6.3910   2.0086 -15.7717   50.300 -33.5796   70.757   2.4213   71.518   6.0037   2.7388   6.7782   2.9390 -0.7744570 4.017257 
1 1 1   27    1    6 o   14.986   1.9395  241.999   54.769  203.126   77.576  280.630   77.334   13.530   3.0291   16.442   2.4230 -2.911554 3.878975 
1 1 1   27    2    0 o   9.9370   2.2667  102.982   50.219   84.537   71.076  121.368   70.964   9.2493   3.2239   10.625   3.1872 -1.375448 4.533406 
1 1 1   27    2    1 o   18.316   1.4874  340.347   52.071  411.059   74.244  271.891   73.049   20.268   1.8871   16.364   2.2996 3.903097 2.974770 
1 1 1   27    2    2 o   28.744   0.9808  816.602   54.672  840.896   76.458  791.182   78.208   29.195   1.3491   28.293   1.4240 0.9022846 1.961620 
1 1 1   27    2    3 o   9.0640   1.9895   72.884   46.589  151.809   64.530 -13.0503   67.334   11.844   2.8429   6.2843   2.7840 5.559345 3.979001 
1 1 1   27    2    4 o   8.6661   2.1340   61.682   49.547  126.181   69.609  -4.5554   70.540   10.731   3.1411   6.6013   2.8895 4.129644 4.268026 
1 1 1   27    2    5 o   13.271   2.0422  192.590   53.137  269.651   75.764  117.986   74.546   16.164   2.4147   10.378   3.2942 5.785283 4.084411 
1 1 1   27    2    6 o   12.489   1.9004  166.754   52.619   27.671   73.025  316.950   75.886   7.4167   3.0806   17.561   2.2261 -10.14459 3.800741 
1 1 1   27    3    0 o   9.7534   2.2640   98.698   49.473  101.409   72.100   96.286   68.011   9.8720   3.2486   9.6348   3.1544 0.2372065 4.528078 
1 1 1   27    3    1 o   31.067   0.9205  950.547   55.507  958.902   79.259  942.505   77.761   31.199   1.3087   30.936   1.2949 0.2631054 1.841053 
1 1 1   27    3    2 o   21.211   1.2736  449.514   52.388  449.270   72.538  449.781   75.741   21.218   1.7612   21.203   1.8402 0.1458931E-01 2.547147 
1 1 1   27    3    3 o   27.506   1.0273  749.111   54.833  749.893   76.566  748.288   78.563   27.528   1.4328   27.484   1.4726 0.4429054E-01 2.054613 
1 1 1   27    3    4 o   22.101   1.2463  489.484   53.414  470.213   76.137  508.161   74.954   21.654   1.8113   22.549   1.7124 -0.8953838 2.492629 
1 1 1   27    3    5 o   8.3737   2.1519   63.084   46.391   93.275   66.907   35.130   64.379   9.3976   3.1312   7.3498   2.9526 2.047817 4.303747 
1 1 1   27    3    6 o   8.2932   2.3114   51.632   55.491   26.467   76.760   79.180   80.312   7.5142   3.1429   9.0721   3.3901 -1.557856 4.622790 
1 1 1   27    4    0 o   19.583   1.3079  384.134   49.364  393.393   66.494  372.765   73.680   19.883   1.7228   19.282   1.9685 0.6006947 2.615879 
1 1 1   27    4    1 o   23.950   1.1315  568.037   52.547  536.510   72.446  603.035   76.331   23.249   1.6053   24.652   1.5951 -1.402721 2.263026 
1 1 1   27    4    2 o   6.4171   1.9707 -29.3201   49.356 -92.8411   67.902   41.837   71.867   4.9693   2.3911   7.8648   3.1332 -2.895474 3.941376 
1 1 1   27    4    3 o   14.193   1.7559  210.420   47.165  193.595   67.298  226.661   66.120   13.473   2.6676   14.913   2.2840 -1.440272 3.511782 
1 1 1   27    4    4 o   7.9768   2.1709   38.032   51.050 -14.9815   71.027   94.682   73.422   6.3953   2.8450   9.5582   3.2798 -3.162910 4.341736 
1 1 1   27    4    5 o   14.085   2.0134  214.108   54.028  150.486   74.760  283.665   78.170   11.606   3.2103   16.565   2.4310 -4.958935 4.026896 
1 1 1   27    4    6 o   9.0308   2.3226   81.169   52.771   87.410   74.199   74.781   75.068   9.2309   3.2873   8.8308   3.2819 0.4000320 4.645137 
1 1 1   27    5    0 o   26.973   1.0182  718.513   53.284  724.023   76.752  713.388   74.032   27.066   1.4608   26.880   1.4188 0.1858292 2.036445 
1 1 1   27    5    1 o   7.2029   2.0333   12.109   47.706 -51.1030   67.481   75.265   67.451   5.5737   2.5897   8.8322   3.1354 -3.258433 4.066636 
1 1 1   27    5    2 o   7.4213   2.0965   22.562   49.040   72.749   68.884 -29.0133   69.831   8.7586   3.1619   6.0840   2.7539 2.674603 4.193053 
1 1 1   27    5    3 f   13.939   1.9621  208.245   51.203  204.017   71.173  212.781   73.719   13.799   2.7536   14.080   2.7958 -0.2816267 3.924135 
1 1 1   27    5    4 o   17.246   1.6233  304.408   54.329  311.738   76.660  297.012   77.006   17.468   2.2607   17.024   2.3302 0.4440594 3.246644 
1 1 1   27    5    5 o   8.0166   2.1461   36.594   50.988  106.349   73.579 -27.8496   70.722   9.9319   3.2824   6.1014   2.7657 3.830486 4.292247 
1 1 1   27    5    6 o   22.499   1.3027  513.667   56.576  541.780   77.578  481.728   82.687   23.215   1.7215   21.782   1.9556 1.433226 2.605348 
1 1 1   27    6    0 o   31.482   0.8930  975.543   54.553  992.031   76.557  958.535   77.756   31.759   1.2418   31.204   1.2837 0.5548649 1.786017 
1 1 1   27    6    1 o   14.724   1.7628  225.610   48.123  163.405   66.056  295.966   70.251   12.325   2.8219   17.124   2.1134 -4.799465 3.525542 
1 1 1   27    6    2 o   29.731   0.9242  868.042   53.197  825.922   72.078  918.435   78.840   28.951   1.2826   30.511   1.3311 -1.560669 1.848490 
1 1 1   27    6    3 o   21.422   1.1980  457.788   49.812  448.156   69.889  467.733   71.014   21.191   1.6990   21.653   1.6896 -0.4611778 2.396053 
1 1 1   27    6    4 o   11.966   2.2511  158.741   53.325  143.775   74.510  174.457   76.351   11.383   3.2250   12.548   3.1416 -1.165378 4.502286 
1 1 1   27    6    5 o   11.086   2.3131  137.477   53.771  159.497   75.123  114.341   77.000   11.937   3.1836   10.234   3.3567 1.702315 4.626250 
1 1 1   27    6    6 o   24.157   1.1372  583.176   53.279  609.199   77.289  559.613   73.546   24.667   1.6141   23.647   1.6022 1.019846 2.274321 
1 1 1   27    7    0 o   11.804   1.9504  150.086   48.550   61.249   69.520  234.660   67.831   8.4068   3.1516   15.202   2.2987 -6.794893 3.900810 
1 1 1   27    7    1 o   14.268   1.8542  218.134   49.258  162.890   71.244  268.725   68.179   12.235   3.0184   16.301   2.1546 -4.066288 3.708478 
1 1 1   27    7    2 o   12.512   2.0858  170.802   50.357  208.931   71.366  132.993   71.066   13.993   2.7254   11.031   3.1581 2.961700 4.171504 
1 1 1   27    7    3 o   19.286   1.4726  381.604   54.288  430.560   74.318  325.596   79.492   20.715   1.8482   17.857   2.2932 2.857876 2.945277 
1 1 1   27    7    4 o   8.1283   2.2804   47.400   53.917   31.943   75.319   63.647   77.218   7.6558   3.1494   8.6007   3.2989 -0.9448776 4.560866 
1 1 1   27    7    5 o   6.2918   1.9938 -22.2299   50.713 -44.2484   70.538   1.3280   72.962   5.7894   2.6751   6.7942   2.9572 -1.004775 3.987624 
1 1 1   27    7    6 o   10.169   2.3535  113.382   55.585  148.005   75.671   72.807   81.918   11.438   3.2534   8.9006   3.4016 2.536938 4.706986 
1 1 1   27    8    0 o   23.698   1.0892  555.804   49.943  547.787   67.753  565.343   73.907   23.529   1.4834   23.867   1.5952 -0.3384399 2.178364 
1 1 1   27    8    1 o   21.870   1.1483  475.019   48.497  471.584   65.266  479.254   72.467   21.807   1.5418   21.933   1.7021 -0.1256905 2.296568 
1 1 1   27    8    2 o   28.491   0.9820  805.554   54.026  843.092   73.879  762.407   79.207   29.238   1.3017   27.743   1.4708 1.495045 1.964075 
1 1 1   27    8    3 o   9.3830   2.2471   91.179   48.741   87.421   69.113   94.898   68.750   9.2475   3.1815   9.5184   3.1742 -0.2708874 4.494172 
1 1 1   27    8    4 o   16.853   1.6469  295.210   53.104  327.065   72.324  257.945   78.224   17.947   2.0760   15.759   2.5571 2.187836 3.293712 
1 1 1   27    8    5 o   25.236   1.1929  642.465   58.045  703.135   80.543  576.906   83.726   26.540   1.5634   23.931   1.8023 2.608812 2.385882 
1 1 1   27    8    6 o   14.437   1.9370  226.989   52.615  265.061   72.934  185.675   75.976   15.995   2.3491   12.879   3.0805 3.115823 3.873944 
1 1 1   27    9    0 o   10.803   2.0455  123.206   49.193   41.278   70.173  202.375   68.981   7.7989   3.0995   13.808   2.6702 -6.008768 4.091060 
1 1 1   27    9    1 o   24.483   1.0692  596.061   50.637  633.932   70.409  555.486   72.879   25.317   1.4327   23.648   1.5876 1.668404 2.138462 
1 1 1   27    9    2 f   7.1613   2.1027   13.439   50.469   53.640   69.517 -31.3635   73.387   8.1256   3.1268   6.1970   2.8123 1.928607 4.205481 
1 1 1   27    9    3 o   24.251   1.1941  587.417   56.171  558.764   78.982  616.740   79.901   23.639   1.7212   24.862   1.6556 -1.223408 2.388212 
1 1 1   27    9    4 o   18.086   1.5894  332.550   55.291  275.707   75.119  399.751   81.677   16.361   2.3653   19.812   2.1238 -3.450640 3.178850 
1 1 1   27    9    5 o   22.909   1.2804  525.104   56.478  439.895   76.650  626.318   83.539   20.850   1.8938   24.967   1.7237 -4.116360 2.560772 
1 1 1   27    9    6 o   37.272   0.9178  1381.33   66.139  1467.88   91.630  1287.20   95.562   38.537   1.2249   36.007   1.3672 2.529362 1.835647 
1 1 1   27   10    0 o   25.051   1.1043  629.045   53.098  708.922   73.456  541.631   76.843   26.784   1.4128   23.319   1.6976 3.464682 2.208576 
1 1 1   27   10    1 o   23.873   1.1721  567.308   54.276  564.185   75.259  570.692   78.351   23.815   1.6280   23.930   1.6867 -0.1155815 2.344172 
1 1 1   27   10    2 o   14.584   1.9115  229.390   51.770  255.273   68.675  195.321   78.790   15.833   2.2344   13.336   3.1021 2.497629 3.823039 
1 1 1   27   10    3 o   18.638   1.4299  351.927   51.413  355.734   69.260  347.253   76.729   18.796   1.8983   18.481   2.1389 0.3151360 2.859755 
1 1 1   27   10    4 o   34.470   0.9278  1175.10   61.683  1172.51   82.692  1178.36   92.615   34.464   1.2361   34.476   1.3839 -0.1260376E-01 1.855508 
1 1 1   27   10    5 o   34.843   0.9531  1201.83   64.309  1173.45   87.519  1235.14   94.811   34.418   1.3100   35.269   1.3849 -0.8511505 1.906250 
1 1 1   27   11    0 o   16.570   1.7639  305.755   50.959  400.321   68.384  187.663   76.418   20.024   1.7593   13.116   3.0578 6.907785 3.527822 
1 1 1   27   11    1 o   6.8953   2.0587  -0.0006   50.137   49.407   70.558 -50.3881   71.254   8.0297   3.1333   5.7609   2.6713 2.268868 4.117429 
1 1 1   27   11    2 o   20.661   1.3640  430.477   54.592  443.664   75.617  416.121   78.897   21.021   1.8531   20.301   2.0020 0.7194366 2.728041 
1 1 1   27   11    3 o   28.415   1.0720  806.585   58.601  835.398   78.727  770.786   87.754   29.038   1.3967   27.792   1.6266 1.246124 2.143965 
1 1 1   27   11    4 o   23.206   1.3271  556.474   58.216  635.168   78.178  458.514   87.224   25.216   1.5972   21.196   2.1199 4.019613 2.654215 
1 1 1   27   11    5 o   39.647   0.8859  1556.33   68.033  1581.89   93.657  1527.78   98.991   40.019   1.2056   39.274   1.2984 0.7448273 1.771845 
1 1 1   27   12    0 f   13.211   2.0226  188.110   51.957  125.123   73.064  252.543   73.899   10.720   3.2381   15.701   2.4246 -4.980556 4.045280 
1 1 1   27   12    1 o   41.852   0.7811  1718.75   63.324  1695.71   86.528  1745.33   92.922   41.565   1.0724   42.140   1.1360 -0.5751305 1.562205 
1 1 1   27   12    2 o   20.355   1.3862  423.933   53.605  454.584   70.741  382.599   82.150   21.324   1.7090   19.385   2.1831 1.938702 2.772450 
1 1 1   27   12    3 o   8.3634   2.2314   42.310   54.067 -19.6670   73.269  116.403   80.111   6.3824   2.8607   10.344   3.4253 -3.961905 4.462753 
1 1 1   27   12    4 o   13.492   2.2580  201.340   58.305  165.479   78.179  246.285   87.522   12.103   3.2563   14.881   3.1291 -2.778207 4.516070 
1 1 1   27   12    5 o   7.5827   2.2464 -15.2893   66.882 -185.2300  108.820   87.877   84.787   5.7677   2.8308   9.3978   3.4888 -3.630105 4.492839 
1 1 1   27   13    0 o   43.001   0.7681  1812.57   63.937  1781.36   86.947  1849.32   94.348   42.614   1.0511   43.388   1.1202 -0.7741470 1.536108 
1 1 1   27   13    1 o   12.381   2.1794  168.447   52.429  144.477   73.142  193.778   75.191   11.438   3.1795   13.324   2.9817 -1.885535 4.358838 
1 1 1   27   13    2 o   9.5544   2.2487   89.359   53.227  147.204   74.376   28.633   76.205   11.507   3.2088   7.6015   3.1513 3.905922 4.497475 
1 1 1   27   13    3 o   27.741   1.0827  761.000   57.519  733.539   74.862  800.574   89.866   27.185   1.4186   28.297   1.6360 -1.111895 2.165410 
1 1 1   27   13    4 o   24.848   1.2331  625.596   58.929  665.923   79.961  577.654   87.182   25.802   1.5965   23.894   1.8796 1.907383 2.466102 
1 1 1   27   14    0 f   34.404   0.8753  1167.39   58.367  1191.55   80.917  1141.19   84.272   34.791   1.1981   34.016   1.2763 0.7753906 1.750520 
1 1 1   27   14    1 o   33.314   0.9407  1105.21   59.091  1134.38   75.717  1059.77   94.507   33.957   1.1487   32.672   1.4901 1.285130 1.881491 
1 1 1   27   14    2 o   15.928   1.9059  265.857   56.875  210.896   76.603  333.376   84.904   13.892   2.9326   17.963   2.4349 -4.070620 3.811713 
1 1 1   27   14    3 o   14.091   2.1224  217.664   56.194  196.212   76.331  243.046   83.030   13.308   3.0235   14.874   2.9795 -1.566160 4.244897 
1 1 1   27   14    4 o   9.1092   2.3109   66.036   55.747   7.5759   73.496  145.235   85.545   6.9352   2.9932   11.283   3.5217 -4.347964 4.621874 
1 1 1   27   15    0 o   33.979   0.9237  1134.47   60.558  1091.33   80.699  1190.07   91.621   33.268   1.2496   34.690   1.3606 -1.422062 1.847343 
1 1 1   27   15    1 o   9.9723   2.3602  106.517   54.458  124.847   73.029   83.557   81.733   10.646   3.2422   9.2986   3.4307 1.347334 4.720354 
1 1 1   27   15    2 o   20.643   1.3074  428.499   52.257  416.156   71.012  443.079   77.177   20.340   1.7985   20.946   1.8981 -0.6058464 2.614868 
1 1 1   27   15    3 o   6.8426   2.1202 -11.8166   56.523   33.285   74.451 -73.1823   86.843   7.6093   3.1308   6.0759   2.8599 1.533390 4.240428 
1 1 1   27   15    4 o   24.353   1.2725  596.610   59.281  470.974   81.169  740.233   86.785   21.537   1.9415   27.170   1.6455 -5.632778 2.545033 
1 1 1   27   16    0 o   26.687   1.0476  705.596   54.159  683.061   73.856  731.810   79.656   26.239   1.4500   27.134   1.5123 -0.8943672 2.095141 
1 1 1   27   16    1 o   6.9960   2.1407   5.4022   53.162   11.310   70.373  -2.4505   81.134   6.9343   2.9595   7.0577   3.0939 -0.1234155 4.281450 
1 1 1   27   16    2 o   8.3321   2.1613   35.391   56.568  130.515   76.013 -82.6753   84.685   10.803   3.3112   5.8614   2.7785 4.941260 4.322515 
1 1 1   27   16    3 o   9.8993   2.3698  104.518   54.660   82.248   75.273  129.360   79.503   9.0684   3.3005   10.730   3.4015 -1.661741 4.739569 
1 1 1   27   17    0 f   17.851   1.6460  328.183   56.260  331.457   74.087  323.723   86.469   18.044   2.1152   17.659   2.5225 0.3847160 3.291946 
1 1 1   27   17    1 o   30.721   0.9979  930.745   59.238  875.329   79.291  1000.74   89.116   29.711   1.3748   31.732   1.4468 -2.021149 1.995795 
1 1 1   27   17    2 o   24.311   1.1601  591.789   54.728  577.421   76.204  607.094   78.647   24.009   1.6351   24.613   1.6461 -0.6039982 2.320184 
1 1 1   27   17    3 o   15.224   2.0214  247.539   58.225  206.787   78.125  298.458   87.328   13.633   3.0307   16.814   2.6755 -3.181614 4.042715 
1 1 1   27   18    0 o   13.958   2.0360  208.461   52.987  176.350   69.667  252.529   81.613   12.672   2.8956   15.245   2.8629 -2.573639 4.071917 
1 1 1   27   18    1 f   12.028   2.3413  161.676   55.663  148.938   72.206  180.332   87.386   11.522   3.1418   12.533   3.4722 -1.010834 4.682662 
1 1 1   27   18    2 o   14.173   2.1232  232.346   58.163  313.928   78.874  135.102   86.113   17.416   2.3331   10.931   3.5480 6.484961 4.246395 
1 1 1   27   19    0 o   8.1669   2.3082   49.621   55.446   64.928   70.995   25.686   88.777   8.4341   3.1802   7.8997   3.3461 0.5343814 4.616307 
1 1 1   27   19    1 o   20.589   1.5045  444.597   58.304  497.564   77.110  373.896   89.089   22.214   1.7882   18.964   2.4201 3.250175 3.009062 
1 1 1   27   20    0 o   18.081   1.5716  339.832   54.159  359.809   71.700  313.290   82.647   18.819   1.9627   17.343   2.4550 1.475985 3.143124 
1 1 1   27   20    1 o   20.156   1.4686  414.009   57.230  403.035   77.147  427.439   85.342   19.897   1.9974   20.414   2.1536 -0.5163918 2.937298 
1 1 1   27   21    0 o   12.440   2.3339  174.046   56.654  162.028   73.924  191.150   88.191   11.996   3.1385   12.884   3.4552 -0.8879938 4.667787 
1 1 1   28    0    0 o   36.171   1.2661  1300.18   88.327  1367.43  127.701  1238.50  122.299   37.076   1.7838   35.266   1.7972 -0.000000 0.000000 
1 1 1   28    0    1 o   20.037   2.1719  436.832   77.795  465.966  107.763  405.124  112.422   20.950   2.7879   19.124   3.3310 -0.000000 0.000000 
1 1 1   28    0    2 o   32.318   1.4091  1050.63   86.972  1059.94  116.584  1038.93  130.600   32.553   1.8588   32.084   2.1182 -0.000000 0.000000 
1 1 1   28    1    0 o   7.8806   2.2308   40.598   52.648   67.118   75.136   15.019   73.791   8.6167   3.2662   7.1446   3.0394 1.472122 4.461664 
1 1 1   28    1    1 o   9.1595   2.1542   70.277   52.132  157.296   75.236 -10.0852   72.302   11.813   3.2012   6.5062   2.8835 5.306426 4.308377 
1 1 1   28    1    2 o   18.071   1.6186  345.453   54.927  259.658   79.682  423.132   75.819   15.714   2.6122   20.428   1.9120 -4.714039 3.237176 
1 1 1   28    2    0 o   24.923   1.1752  622.892   56.771  653.114   79.636  591.661   80.954   25.565   1.6047   24.282   1.7175 1.283134 2.350489 
1 1 1   28    2    1 o   6.1951   1.9847 -41.1140   53.075 -88.7872   73.614   10.496   76.593   5.2624   2.5210   7.1277   3.0659 -1.865238 3.969312 
1 1 1   28    2    2 o   13.581   2.0153  204.179   54.692  328.329   79.015   89.995   75.778   17.833   2.2826   9.3287   3.3221 8.504359 4.030667 
1 1 1   28    3    0 o   7.1636   2.1636   13.095   53.385   3.1517   76.451   22.557   74.580   6.9730   3.0310   7.3541   3.0883 -0.3811250 4.327187 
1 1 1   28    3    1 o   20.482   1.4012  430.903   54.822  350.137   78.134  509.218   76.940   18.474   2.1788   22.490   1.7624 -4.015575 2.802373 
1 1 1   28    3    2 o   26.912   1.1124  722.687   58.028  752.247   84.879  696.747   79.512   27.416   1.5949   26.407   1.5511 1.009176 2.224784 
1 1 1   28    4    0 o   8.0568   2.2600   49.144   52.650   49.040   73.298   49.255   75.676   8.0195   3.1739   8.0940   3.2181 -0.7449341E-01 4.519920 
1 1 1   28    4    1 o   11.479   2.2847  148.552   54.633  105.716   77.526  190.813   77.003   9.8918   3.3704   13.065   3.0854 -3.173600 4.569430 
1 1 1   28    4    2 o   18.476   1.5178  348.440   54.307  326.903   73.755  373.943   80.259   17.864   2.1269   19.088   2.1661 -1.223495 3.035698 
1 1 1   28    5    0 o   12.912   2.1118  184.203   51.903  168.624   71.782  201.273   75.138   12.312   3.0251   13.513   2.9475 -1.200669 4.223618 
1 1 1   28    5    1 o   14.630   1.9731  231.398   54.737  208.671   78.321  253.095   76.529   13.706   3.0248   15.554   2.5346 -1.848303 3.946299 
1 1 1   28    6    0 o   31.336   0.9677  974.316   58.853  990.254   83.190  958.347   83.273   31.598   1.3563   31.073   1.3806 0.5252514 1.935302 
1 1 1   28    6    1 o   7.9249   2.2264   45.430   50.598   33.339   66.013   62.650   78.781   7.3141   2.9716   8.5357   3.3163 -1.221574 4.452884 
1 1 1   28    7    0 o   25.548   1.1895  654.910   58.983  641.127   82.872  669.059   83.968   25.272   1.6893   25.824   1.6750 -0.5518303 2.378936 
1 1 1   28    7    1 o   21.064   1.4237  457.536   56.987  558.038   80.389  356.013   80.797   23.537   1.7595   18.591   2.2388 4.945824 2.847458 
1 1 1   28    8    0 o   20.789   1.2975  437.705   52.080  449.876   70.767  423.324   76.921   21.153   1.7235   20.425   1.9401 0.7281456 2.595075 
1 1 1   28    8    1 o   31.861   0.9817  1006.94   60.573  914.892   84.029  1106.52   87.395   30.326   1.4274   33.395   1.3482 -3.068979 1.963417 
1 1 1   28    9    0 o   26.092   1.1636  682.676   58.893  684.909   81.799  680.272   84.861   26.154   1.6112   26.031   1.6794 0.1231537 2.327295 
1 1 1   28   10    0 o   5.8910   1.9417 -56.9578   54.614 -76.6634   77.975 -37.9826   76.516   5.6263   2.6667   6.1558   2.8231 -0.5294871 3.883476 
#END OF REFLECTIONS
